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 1jz4_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.074 176.300 -0.376 0.000 0.893 13 R CA 0.000 55.954 56.100 -0.244 0.000 0.921 13 R CB 0.000 30.161 30.300 -0.232 0.000 0.687 14 R N 1.348 121.512 120.500 -0.560 0.000 3.171 14 R HA 0.140 4.487 4.340 0.013 0.000 0.241 14 R C -0.193 175.586 176.300 -0.869 0.000 1.421 14 R CA -0.470 54.897 56.100 -1.221 0.000 1.444 14 R CB 0.275 29.898 30.300 -1.128 0.000 1.247 14 R HN 0.522 nan 8.270 nan 0.000 0.636 15 D N 1.207 121.293 120.400 -0.523 0.000 2.311 15 D HA -0.183 4.465 4.640 0.013 0.000 0.212 15 D C 1.295 177.507 176.300 -0.146 0.000 0.972 15 D CA 1.162 54.936 54.000 -0.377 0.000 0.887 15 D CB 0.161 40.585 40.800 -0.627 0.000 0.915 15 D HN 0.660 nan 8.370 nan 0.000 0.497 16 W N 1.011 122.317 121.300 0.010 0.000 3.180 16 W HA 0.223 4.890 4.660 0.013 0.000 0.254 16 W C 0.447 177.041 176.519 0.126 0.000 1.318 16 W CA -0.272 57.181 57.345 0.180 0.000 1.608 16 W CB -0.158 29.464 29.460 0.269 0.000 1.124 16 W HN -0.204 nan 8.180 nan 0.000 0.694 17 E N 1.271 121.333 120.200 -0.231 0.000 3.385 17 E HA 0.066 4.423 4.350 0.013 0.000 0.206 17 E C -0.795 175.624 176.600 -0.301 0.000 0.997 17 E CA -0.212 56.056 56.400 -0.219 0.000 1.278 17 E CB -0.175 29.365 29.700 -0.267 0.000 1.165 17 E HN 0.027 nan 8.360 nan 0.000 0.452 18 N N 0.927 119.504 118.700 -0.205 0.000 2.655 18 N HA 0.134 4.882 4.740 0.013 0.000 0.277 18 N C -2.513 172.867 175.510 -0.217 0.000 1.177 18 N CA -1.786 51.113 53.050 -0.251 0.000 0.882 18 N CB 1.529 39.874 38.487 -0.236 0.000 1.481 18 N HN -0.192 nan 8.380 nan 0.000 0.547 19 P HA 0.112 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.155 177.300 -0.363 0.000 1.158 19 P CA 0.621 63.442 63.100 -0.465 0.000 0.769 19 P CB 0.162 31.210 31.700 -1.087 0.000 0.807 20 G N -0.683 107.940 108.800 -0.295 0.000 2.712 20 G HA2 0.070 4.038 3.960 0.013 0.000 0.212 20 G HA3 0.070 4.038 3.960 0.013 0.000 0.212 20 G C 0.190 175.011 174.900 -0.133 0.000 1.142 20 G CA 0.186 45.156 45.100 -0.216 0.000 0.789 20 G HN 0.188 nan 8.290 nan 0.000 0.535 21 V N 1.606 121.455 119.914 -0.108 0.000 2.350 21 V HA 0.342 4.469 4.120 0.013 0.000 0.285 21 V C 0.783 176.920 176.094 0.071 0.000 1.014 21 V CA 0.096 62.378 62.300 -0.031 0.000 0.831 21 V CB 1.309 33.091 31.823 -0.068 0.000 1.000 21 V HN 0.302 nan 8.190 nan 0.000 0.433 22 T N 0.711 115.319 114.554 0.090 0.000 3.044 22 T HA 0.404 4.762 4.350 0.013 0.000 0.260 22 T C 0.175 174.959 174.700 0.141 0.000 1.019 22 T CA -0.016 62.160 62.100 0.126 0.000 0.921 22 T CB 0.282 69.172 68.868 0.038 0.000 1.053 22 T HN 0.719 nan 8.240 nan 0.000 0.533 23 Q N 0.190 120.115 119.800 0.209 0.000 2.776 23 Q HA 0.676 5.023 4.340 0.013 0.000 0.289 23 Q C -2.265 173.888 176.000 0.255 0.000 0.912 23 Q CA -1.089 54.836 55.803 0.202 0.000 0.789 23 Q CB 0.832 29.599 28.738 0.048 0.000 1.498 23 Q HN 0.207 nan 8.270 nan 0.000 0.408 24 L N 1.474 122.873 121.223 0.294 0.000 2.436 24 L HA 0.614 4.961 4.340 0.013 0.000 0.268 24 L C -0.523 176.480 176.870 0.222 0.000 0.974 24 L CA -0.967 54.036 54.840 0.272 0.000 0.826 24 L CB 1.976 44.296 42.059 0.436 0.000 1.291 24 L HN 0.843 nan 8.230 nan 0.000 0.406 25 N N 0.721 119.514 118.700 0.155 0.000 2.713 25 N HA -0.221 4.527 4.740 0.013 0.000 0.251 25 N C 0.258 175.846 175.510 0.131 0.000 1.117 25 N CA 0.856 53.984 53.050 0.130 0.000 0.770 25 N CB -0.848 37.678 38.487 0.066 0.000 1.137 25 N HN 0.645 nan 8.380 nan 0.000 0.566 26 R N 0.963 121.482 120.500 0.031 0.000 2.491 26 R HA 0.284 4.632 4.340 0.013 0.000 0.283 26 R C 0.640 176.805 176.300 -0.226 0.000 1.072 26 R CA -0.191 55.725 56.100 -0.306 0.000 1.048 26 R CB 0.447 30.577 30.300 -0.282 0.000 0.983 26 R HN 0.139 nan 8.270 nan 0.000 0.450 27 L N 2.947 123.997 121.223 -0.288 0.000 2.466 27 L HA 0.294 4.642 4.340 0.013 0.000 0.257 27 L C 0.692 177.505 176.870 -0.095 0.000 1.189 27 L CA -0.570 54.194 54.840 -0.127 0.000 0.813 27 L CB 0.575 42.587 42.059 -0.078 0.000 1.118 27 L HN 0.730 nan 8.230 nan 0.000 0.471 28 A N 0.980 123.784 122.820 -0.026 0.000 2.445 28 A HA 0.527 4.855 4.320 0.013 0.000 0.242 28 A C 0.303 177.899 177.584 0.020 0.000 1.075 28 A CA -0.019 52.014 52.037 -0.007 0.000 0.777 28 A CB 0.231 19.246 19.000 0.026 0.000 1.013 28 A HN 0.794 nan 8.150 nan 0.000 0.493 29 A N 1.279 124.063 122.820 -0.060 0.000 2.296 29 A HA 0.698 5.026 4.320 0.013 0.000 0.264 29 A C 0.140 177.629 177.584 -0.159 0.000 1.097 29 A CA 0.591 52.514 52.037 -0.191 0.000 0.811 29 A CB -0.031 18.840 19.000 -0.216 0.000 1.072 29 A HN 2.035 nan 8.150 nan 0.000 0.495 30 H N -3.436 115.470 119.070 -0.275 0.000 2.921 30 H HA 0.559 5.123 4.556 0.013 0.000 0.287 30 H C -3.444 171.587 175.328 -0.495 0.000 1.434 30 H CA -1.593 54.233 56.048 -0.370 0.000 1.178 30 H CB -0.085 29.357 29.762 -0.534 0.000 1.836 30 H HN 0.394 nan 8.280 nan 0.000 0.495 31 P HA 0.228 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.520 177.300 -0.314 0.000 1.256 31 P CA -1.392 61.485 63.100 -0.372 0.000 0.795 31 P CB -0.193 31.215 31.700 -0.487 0.000 1.038 32 P HA 0.047 nan 4.420 nan 0.000 0.261 32 P C -0.787 176.718 177.300 0.341 0.000 1.183 32 P CA 1.135 64.261 63.100 0.044 0.000 0.761 32 P CB -0.085 31.676 31.700 0.103 0.000 0.785 33 F N 1.295 121.326 119.950 0.135 0.000 2.561 33 F HA 0.591 5.126 4.527 0.013 0.000 0.321 33 F C 0.928 176.641 175.800 -0.144 0.000 1.065 33 F CA -1.031 56.996 58.000 0.045 0.000 0.934 33 F CB 2.258 41.251 39.000 -0.011 0.000 1.215 33 F HN 0.211 nan 8.300 nan 0.000 0.471 34 A N 0.439 123.162 122.820 -0.162 0.000 2.474 34 A HA 0.237 4.565 4.320 0.013 0.000 0.221 34 A C 0.637 177.938 177.584 -0.472 0.000 1.298 34 A CA 0.387 52.088 52.037 -0.559 0.000 1.008 34 A CB -0.029 18.069 19.000 -1.502 0.000 1.217 34 A HN 0.737 nan 8.150 nan 0.000 0.553 35 S N 0.317 115.842 115.700 -0.290 0.000 3.550 35 S HA -0.144 4.334 4.470 0.013 0.000 0.372 35 S C -0.114 174.433 174.600 -0.087 0.000 0.966 35 S CA 0.380 58.466 58.200 -0.190 0.000 1.229 35 S CB -1.498 61.581 63.200 -0.203 0.000 0.917 35 S HN 0.472 nan 8.310 nan 0.000 0.496 36 W N 1.712 122.997 121.300 -0.026 0.000 2.170 36 W HA 0.285 4.952 4.660 0.013 0.000 0.336 36 W C 1.272 177.783 176.519 -0.014 0.000 1.283 36 W CA -0.606 56.737 57.345 -0.003 0.000 1.224 36 W CB 0.346 29.801 29.460 -0.009 0.000 1.132 36 W HN 0.309 nan 8.180 nan 0.000 0.571 37 R N 1.950 122.593 120.500 0.238 0.000 2.509 37 R HA 0.086 4.434 4.340 0.013 0.000 0.300 37 R C -0.088 176.283 176.300 0.118 0.000 0.985 37 R CA -0.132 56.051 56.100 0.138 0.000 1.092 37 R CB -0.246 30.120 30.300 0.111 0.000 1.237 37 R HN 0.337 nan 8.270 nan 0.000 0.546 38 N N 0.126 118.910 118.700 0.141 0.000 2.500 38 N HA 0.118 4.866 4.740 0.013 0.000 0.291 38 N C -0.027 175.459 175.510 -0.040 0.000 1.092 38 N CA 0.018 53.097 53.050 0.050 0.000 0.890 38 N CB 1.727 40.242 38.487 0.046 0.000 1.466 38 N HN -0.246 nan 8.380 nan 0.000 0.507 39 S N 2.370 118.027 115.700 -0.072 0.000 2.370 39 S HA -0.183 4.295 4.470 0.013 0.000 0.226 39 S C 1.425 175.864 174.600 -0.269 0.000 1.033 39 S CA 1.288 59.400 58.200 -0.147 0.000 1.011 39 S CB -0.022 63.121 63.200 -0.095 0.000 0.852 39 S HN 0.746 nan 8.310 nan 0.000 0.457 40 E N 1.451 121.513 120.200 -0.229 0.000 2.106 40 E HA -0.138 4.220 4.350 0.013 0.000 0.192 40 E C 1.878 178.271 176.600 -0.344 0.000 0.984 40 E CA 1.118 57.344 56.400 -0.290 0.000 0.806 40 E CB -0.149 29.435 29.700 -0.193 0.000 0.750 40 E HN 0.299 nan 8.360 nan 0.000 0.458 41 E N 0.128 120.142 120.200 -0.311 0.000 2.106 41 E HA -0.091 4.267 4.350 0.013 0.000 0.192 41 E C 2.005 178.042 176.600 -0.939 0.000 0.984 41 E CA 1.071 57.242 56.400 -0.382 0.000 0.806 41 E CB -0.542 29.072 29.700 -0.144 0.000 0.750 41 E HN 0.374 nan 8.360 nan 0.000 0.458 42 A N 1.774 123.796 122.820 -1.330 0.000 1.902 42 A HA -0.217 4.111 4.320 0.013 0.000 0.217 42 A C 2.251 179.170 177.584 -1.108 0.000 1.181 42 A CA 1.754 52.603 52.037 -1.980 0.000 0.623 42 A CB -0.526 17.939 19.000 -0.892 0.000 0.818 42 A HN 0.151 nan 8.150 nan 0.000 0.443 43 R N -0.192 119.873 120.500 -0.725 0.000 2.080 43 R HA -0.157 4.191 4.340 0.013 0.000 0.236 43 R C 2.105 178.120 176.300 -0.476 0.000 1.137 43 R CA 2.323 58.056 56.100 -0.611 0.000 0.943 43 R CB -0.681 29.140 30.300 -0.799 0.000 0.846 43 R HN 0.613 nan 8.270 nan 0.000 0.431 44 T N -2.285 112.018 114.554 -0.418 0.000 3.160 44 T HA 0.001 4.359 4.350 0.013 0.000 0.257 44 T C 0.345 174.939 174.700 -0.177 0.000 1.147 44 T CA 0.773 62.720 62.100 -0.254 0.000 1.064 44 T CB -0.074 68.678 68.868 -0.194 0.000 0.949 44 T HN 0.456 nan 8.240 nan 0.000 0.526 45 D N 0.435 120.679 120.400 -0.261 0.000 3.017 45 D HA -0.151 4.497 4.640 0.013 0.000 0.220 45 D C 0.052 176.461 176.300 0.182 0.000 1.141 45 D CA 0.432 54.431 54.000 -0.001 0.000 0.848 45 D CB -1.094 39.758 40.800 0.086 0.000 1.102 45 D HN 0.582 nan 8.370 nan 0.000 0.427 46 R N 0.051 120.624 120.500 0.122 0.000 2.583 46 R HA 0.521 4.869 4.340 0.013 0.000 0.268 46 R C -2.140 174.461 176.300 0.501 0.000 1.101 46 R CA -1.451 54.790 56.100 0.234 0.000 1.180 46 R CB 0.168 30.537 30.300 0.116 0.000 1.128 46 R HN 0.045 nan 8.270 nan 0.000 0.568 47 P HA -0.062 nan 4.420 nan 0.000 0.266 47 P C -0.702 176.768 177.300 0.284 0.000 1.193 47 P CA 0.300 63.547 63.100 0.244 0.000 0.770 47 P CB 0.623 32.411 31.700 0.147 0.000 0.836 48 S N 1.186 116.914 115.700 0.046 0.000 2.437 48 S HA 0.147 4.625 4.470 0.013 0.000 0.305 48 S C 0.909 175.539 174.600 0.051 0.000 1.109 48 S CA -0.452 57.716 58.200 -0.053 0.000 1.099 48 S CB 0.427 63.348 63.200 -0.464 0.000 1.004 48 S HN 0.322 nan 8.310 nan 0.000 0.475 49 Q N 2.142 122.016 119.800 0.123 0.000 2.436 49 Q HA -0.011 4.337 4.340 0.013 0.000 0.209 49 Q C 1.259 177.416 176.000 0.262 0.000 0.965 49 Q CA 0.704 56.603 55.803 0.159 0.000 0.910 49 Q CB 0.137 28.968 28.738 0.156 0.000 0.980 49 Q HN 0.693 nan 8.270 nan 0.000 0.491 50 Q N -0.193 119.724 119.800 0.196 0.000 2.472 50 Q HA -0.002 4.346 4.340 0.013 0.000 0.208 50 Q C 0.064 176.159 176.000 0.159 0.000 0.958 50 Q CA 0.431 56.369 55.803 0.226 0.000 0.932 50 Q CB 0.215 28.981 28.738 0.047 0.000 1.007 50 Q HN 0.161 nan 8.270 nan 0.000 0.508 51 L N 0.868 122.153 121.223 0.104 0.000 2.325 51 L HA 0.395 4.742 4.340 0.013 0.000 0.281 51 L C -1.033 175.904 176.870 0.111 0.000 1.004 51 L CA -0.278 54.599 54.840 0.063 0.000 0.823 51 L CB 1.244 43.260 42.059 -0.072 0.000 1.236 51 L HN -0.168 nan 8.230 nan 0.000 0.415 52 R N 2.693 123.279 120.500 0.143 0.000 2.686 52 R HA 0.580 4.928 4.340 0.013 0.000 0.286 52 R C -0.903 175.428 176.300 0.053 0.000 0.969 52 R CA -0.757 55.405 56.100 0.104 0.000 0.898 52 R CB 2.191 32.566 30.300 0.125 0.000 1.183 52 R HN 0.682 nan 8.270 nan 0.000 0.456 53 S N 2.033 117.756 115.700 0.038 0.000 2.562 53 S HA 0.310 4.788 4.470 0.013 0.000 0.275 53 S C 0.508 175.128 174.600 0.034 0.000 1.281 53 S CA -0.596 57.620 58.200 0.026 0.000 1.045 53 S CB 0.544 63.767 63.200 0.038 0.000 0.962 53 S HN 0.567 nan 8.310 nan 0.000 0.503 54 L N 3.394 124.644 121.223 0.046 0.000 2.910 54 L HA 0.313 4.661 4.340 0.013 0.000 0.252 54 L C 0.145 177.191 176.870 0.294 0.000 1.195 54 L CA -0.451 54.452 54.840 0.106 0.000 1.003 54 L CB -0.324 41.770 42.059 0.057 0.000 1.328 54 L HN 0.512 nan 8.230 nan 0.000 0.540 55 N N 1.397 120.208 118.700 0.185 0.000 2.416 55 N HA 0.444 5.191 4.740 0.013 0.000 0.246 55 N C 0.700 176.352 175.510 0.237 0.000 1.260 55 N CA 1.109 54.273 53.050 0.192 0.000 0.897 55 N CB 1.014 39.545 38.487 0.074 0.000 1.110 55 N HN 0.315 nan 8.380 nan 0.000 0.439 56 G N 0.215 109.171 108.800 0.260 0.000 2.236 56 G HA2 -0.092 3.876 3.960 0.013 0.000 0.231 56 G HA3 -0.092 3.876 3.960 0.013 0.000 0.231 56 G C -1.566 173.544 174.900 0.351 0.000 1.334 56 G CA -0.825 44.415 45.100 0.234 0.000 1.137 56 G HN 0.487 nan 8.290 nan 0.000 0.482 57 E N 0.163 120.532 120.200 0.282 0.000 2.257 57 E HA 0.433 4.791 4.350 0.013 0.000 0.278 57 E C -0.820 176.027 176.600 0.413 0.000 1.049 57 E CA -0.005 56.580 56.400 0.308 0.000 0.876 57 E CB 0.857 30.662 29.700 0.175 0.000 1.035 57 E HN 0.360 nan 8.360 nan 0.000 0.419 58 W N 1.650 123.050 121.300 0.166 0.000 2.869 58 W HA 0.411 5.079 4.660 0.013 0.000 0.345 58 W C 0.157 176.811 176.519 0.226 0.000 1.191 58 W CA -0.748 56.726 57.345 0.215 0.000 1.104 58 W CB 0.772 30.416 29.460 0.306 0.000 1.471 58 W HN 0.168 nan 8.180 nan 0.000 0.612 59 R N 1.513 122.328 120.500 0.525 0.000 2.393 59 R HA 0.549 4.896 4.340 0.013 0.000 0.310 59 R C -1.547 175.022 176.300 0.448 0.000 0.968 59 R CA -0.815 55.516 56.100 0.385 0.000 0.867 59 R CB 1.338 31.805 30.300 0.279 0.000 1.124 59 R HN 0.450 nan 8.270 nan 0.000 0.450 60 F N 0.779 120.787 119.950 0.097 0.000 2.588 60 F HA 0.694 5.228 4.527 0.013 0.000 0.310 60 F C -1.496 174.152 175.800 -0.253 0.000 1.082 60 F CA -0.619 57.288 58.000 -0.154 0.000 0.929 60 F CB 2.094 40.891 39.000 -0.339 0.000 1.254 60 F HN 0.621 nan 8.300 nan 0.000 0.455 61 A N 3.911 125.877 122.820 -1.423 0.000 2.520 61 A HA 0.570 4.898 4.320 0.013 0.000 0.298 61 A C -2.501 174.038 177.584 -1.741 0.000 1.051 61 A CA -0.531 50.806 52.037 -1.167 0.000 0.690 61 A CB 0.740 19.344 19.000 -0.661 0.000 1.281 61 A HN 0.963 nan 8.150 nan 0.000 0.402 62 W N 2.295 122.694 121.300 -1.502 0.000 2.520 62 W HA 0.768 5.436 4.660 0.013 0.000 0.323 62 W C -1.824 174.015 176.519 -1.135 0.000 1.062 62 W CA -0.420 56.200 57.345 -1.208 0.000 1.215 62 W CB 1.168 30.220 29.460 -0.679 0.000 1.340 62 W HN 0.515 nan 8.180 nan 0.000 0.516 63 F N 5.817 125.071 119.950 -1.160 0.000 2.603 63 F HA 0.392 4.927 4.527 0.013 0.000 0.317 63 F C -1.244 173.601 175.800 -1.593 0.000 1.066 63 F CA -2.097 55.309 58.000 -0.989 0.000 0.941 63 F CB 1.929 40.525 39.000 -0.674 0.000 1.291 63 F HN 0.202 nan 8.300 nan 0.000 0.472 64 P HA 0.071 nan 4.420 nan 0.000 0.225 64 P C -0.326 176.840 177.300 -0.223 0.000 1.156 64 P CA 0.969 63.813 63.100 -0.427 0.000 0.787 64 P CB 0.702 32.420 31.700 0.031 0.000 0.802 65 A N -0.895 121.804 122.820 -0.203 0.000 2.608 65 A HA 0.532 4.860 4.320 0.013 0.000 0.292 65 A C -2.408 175.056 177.584 -0.200 0.000 1.066 65 A CA -1.058 50.903 52.037 -0.127 0.000 0.676 65 A CB 0.575 19.568 19.000 -0.011 0.000 1.277 65 A HN -0.281 nan 8.150 nan 0.000 0.413 66 P HA -0.092 nan 4.420 nan 0.000 0.217 66 P C 0.704 177.911 177.300 -0.155 0.000 1.150 66 P CA 1.470 64.436 63.100 -0.224 0.000 0.832 66 P CB 0.169 31.721 31.700 -0.247 0.000 0.787 67 E N 0.066 120.240 120.200 -0.044 0.000 2.393 67 E HA -0.099 4.259 4.350 0.013 0.000 0.201 67 E C 1.861 178.383 176.600 -0.129 0.000 1.025 67 E CA 1.247 57.623 56.400 -0.040 0.000 0.856 67 E CB -0.949 28.758 29.700 0.013 0.000 0.771 67 E HN 0.279 nan 8.360 nan 0.000 0.526 68 A N 0.063 122.747 122.820 -0.227 0.000 2.308 68 A HA 0.145 4.473 4.320 0.013 0.000 0.217 68 A C 0.591 177.784 177.584 -0.651 0.000 1.216 68 A CA -0.221 51.645 52.037 -0.286 0.000 0.864 68 A CB 0.460 19.383 19.000 -0.128 0.000 0.902 68 A HN 0.042 nan 8.150 nan 0.000 0.499 69 V N 2.638 122.071 119.914 -0.801 0.000 2.461 69 V HA 0.242 4.370 4.120 0.013 0.000 0.275 69 V C -2.384 173.422 176.094 -0.480 0.000 1.047 69 V CA -1.676 59.994 62.300 -1.050 0.000 0.955 69 V CB 0.767 32.037 31.823 -0.921 0.000 0.988 69 V HN 0.247 nan 8.190 nan 0.000 0.471 70 P HA 0.227 nan 4.420 nan 0.000 0.271 70 P C 0.401 177.668 177.300 -0.054 0.000 1.220 70 P CA -0.254 62.762 63.100 -0.140 0.000 0.768 70 P CB 1.023 32.690 31.700 -0.056 0.000 0.848 71 E N 1.538 121.705 120.200 -0.056 0.000 2.171 71 E HA -0.188 4.170 4.350 0.013 0.000 0.197 71 E C 1.853 178.426 176.600 -0.046 0.000 0.997 71 E CA 1.818 58.185 56.400 -0.056 0.000 0.810 71 E CB -0.616 29.049 29.700 -0.058 0.000 0.738 71 E HN 0.551 nan 8.360 nan 0.000 0.467 72 S N -0.652 115.043 115.700 -0.008 0.000 2.442 72 S HA -0.200 4.278 4.470 0.013 0.000 0.236 72 S C 1.834 176.449 174.600 0.024 0.000 1.007 72 S CA 0.843 59.044 58.200 0.002 0.000 0.965 72 S CB -0.732 62.480 63.200 0.020 0.000 0.773 72 S HN 0.579 nan 8.310 nan 0.000 0.504 73 W N 2.184 123.397 121.300 -0.144 0.000 2.421 73 W HA 0.123 4.791 4.660 0.013 0.000 0.270 73 W C 1.453 177.870 176.519 -0.171 0.000 1.233 73 W CA 0.579 57.843 57.345 -0.136 0.000 1.226 73 W CB -0.246 29.125 29.460 -0.149 0.000 1.121 73 W HN 0.268 nan 8.180 nan 0.000 0.579 74 L N 0.297 121.242 121.223 -0.464 0.000 2.056 74 L HA -0.156 4.192 4.340 0.013 0.000 0.207 74 L C 2.425 179.061 176.870 -0.389 0.000 1.078 74 L CA 1.691 56.135 54.840 -0.659 0.000 0.749 74 L CB -0.842 40.864 42.059 -0.588 0.000 0.901 74 L HN -0.072 nan 8.230 nan 0.000 0.433 75 E N -0.606 119.458 120.200 -0.227 0.000 2.086 75 E HA -0.044 4.314 4.350 0.013 0.000 0.190 75 E C 0.300 176.833 176.600 -0.113 0.000 0.975 75 E CA 0.683 57.006 56.400 -0.128 0.000 0.813 75 E CB 0.359 30.015 29.700 -0.073 0.000 0.768 75 E HN 0.585 nan 8.360 nan 0.000 0.457 76 C N -1.082 118.157 119.300 -0.101 0.000 3.239 76 C HA 0.542 5.009 4.460 0.013 0.000 0.317 76 C C -0.453 174.535 174.990 -0.003 0.000 1.310 76 C CA -1.792 57.194 59.018 -0.054 0.000 1.371 76 C CB 0.709 28.435 27.740 -0.023 0.000 1.714 76 C HN 0.234 nan 8.230 nan 0.000 0.473 77 D N 0.889 121.303 120.400 0.023 0.000 2.583 77 D HA 0.249 4.897 4.640 0.013 0.000 0.232 77 D C -0.096 176.285 176.300 0.134 0.000 1.128 77 D CA 0.448 54.506 54.000 0.097 0.000 0.859 77 D CB 0.474 41.320 40.800 0.076 0.000 1.169 77 D HN 0.563 nan 8.370 nan 0.000 0.481 78 L N 5.892 127.241 121.223 0.211 0.000 2.367 78 L HA 0.236 4.583 4.340 0.013 0.000 0.275 78 L C -1.245 175.684 176.870 0.099 0.000 1.129 78 L CA -1.468 53.465 54.840 0.155 0.000 0.839 78 L CB 0.935 43.086 42.059 0.154 0.000 1.133 78 L HN 0.505 nan 8.230 nan 0.000 0.453 79 P HA -0.137 nan 4.420 nan 0.000 0.220 79 P C 0.632 177.959 177.300 0.044 0.000 1.148 79 P CA 0.981 64.113 63.100 0.053 0.000 0.803 79 P CB 0.218 31.943 31.700 0.041 0.000 0.782 80 E N -0.412 119.809 120.200 0.036 0.000 2.481 80 E HA 0.206 4.564 4.350 0.013 0.000 0.195 80 E C 1.007 177.611 176.600 0.007 0.000 1.047 80 E CA 0.010 56.417 56.400 0.013 0.000 0.867 80 E CB -0.757 28.936 29.700 -0.012 0.000 0.858 80 E HN 0.161 nan 8.360 nan 0.000 0.513 81 A N 1.154 123.988 122.820 0.024 0.000 2.386 81 A HA 0.149 4.477 4.320 0.013 0.000 0.246 81 A C 0.035 177.670 177.584 0.084 0.000 1.089 81 A CA -0.131 51.920 52.037 0.025 0.000 0.790 81 A CB 0.303 19.352 19.000 0.080 0.000 1.042 81 A HN 0.010 nan 8.150 nan 0.000 0.497 82 D N -0.636 119.848 120.400 0.140 0.000 2.374 82 D HA 0.472 5.119 4.640 0.013 0.000 0.239 82 D C -0.840 175.577 176.300 0.195 0.000 0.991 82 D CA -0.051 54.051 54.000 0.169 0.000 0.960 82 D CB 1.640 42.593 40.800 0.255 0.000 1.284 82 D HN 0.397 nan 8.370 nan 0.000 0.512 83 T N 0.744 115.392 114.554 0.157 0.000 2.733 83 T HA 0.449 4.807 4.350 0.013 0.000 0.294 83 T C 0.174 174.963 174.700 0.150 0.000 0.956 83 T CA -0.537 61.662 62.100 0.166 0.000 0.987 83 T CB 0.573 69.514 68.868 0.122 0.000 0.920 83 T HN 0.263 nan 8.240 nan 0.000 0.470 84 V N 1.642 121.680 119.914 0.207 0.000 3.074 84 V HA 0.801 4.929 4.120 0.013 0.000 0.314 84 V C -0.229 176.001 176.094 0.226 0.000 1.117 84 V CA -1.008 61.386 62.300 0.157 0.000 1.014 84 V CB 1.710 33.629 31.823 0.161 0.000 1.057 84 V HN 0.477 nan 8.190 nan 0.000 0.438 85 V N 2.121 122.152 119.914 0.196 0.000 2.583 85 V HA 0.501 4.629 4.120 0.013 0.000 0.287 85 V C 0.057 176.253 176.094 0.170 0.000 1.051 85 V CA -0.021 62.394 62.300 0.190 0.000 1.010 85 V CB 1.313 33.214 31.823 0.130 0.000 0.988 85 V HN 0.756 nan 8.190 nan 0.000 0.478 86 V N 6.914 126.865 119.914 0.063 0.000 2.656 86 V HA 0.460 4.588 4.120 0.013 0.000 0.307 86 V C -2.307 173.714 176.094 -0.121 0.000 1.051 86 V CA -1.752 60.453 62.300 -0.158 0.000 0.893 86 V CB 2.509 33.928 31.823 -0.673 0.000 0.999 86 V HN 0.749 nan 8.190 nan 0.000 0.426 87 P HA 0.394 nan 4.420 nan 0.000 0.274 87 P C -0.774 176.459 177.300 -0.112 0.000 1.231 87 P CA -0.012 62.983 63.100 -0.174 0.000 0.790 87 P CB 1.210 32.814 31.700 -0.160 0.000 0.951 88 S N 0.427 116.063 115.700 -0.106 0.000 2.611 88 S HA 0.362 4.840 4.470 0.013 0.000 0.270 88 S C -1.265 173.253 174.600 -0.136 0.000 1.131 88 S CA -1.077 57.035 58.200 -0.146 0.000 0.826 88 S CB 0.352 63.381 63.200 -0.285 0.000 1.095 88 S HN 0.347 nan 8.310 nan 0.000 0.461 89 N N 1.128 119.691 118.700 -0.229 0.000 2.425 89 N HA 0.397 5.145 4.740 0.013 0.000 0.268 89 N C 0.749 176.082 175.510 -0.294 0.000 0.991 89 N CA -0.840 52.045 53.050 -0.275 0.000 0.931 89 N CB 0.615 38.910 38.487 -0.320 0.000 1.130 89 N HN 0.863 nan 8.380 nan 0.000 0.493 90 W N 2.742 123.896 121.300 -0.243 0.000 2.331 90 W HA -0.224 4.444 4.660 0.013 0.000 0.291 90 W C 1.057 177.537 176.519 -0.065 0.000 1.214 90 W CA 0.956 58.157 57.345 -0.240 0.000 1.228 90 W CB -0.434 28.877 29.460 -0.247 0.000 1.135 90 W HN 0.489 nan 8.180 nan 0.000 0.537 91 Q N 0.474 120.243 119.800 -0.051 0.000 2.226 91 Q HA -0.139 4.209 4.340 0.013 0.000 0.204 91 Q C 2.156 178.103 176.000 -0.088 0.000 0.975 91 Q CA 1.912 57.679 55.803 -0.061 0.000 0.866 91 Q CB -0.679 27.908 28.738 -0.252 0.000 0.915 91 Q HN 0.337 nan 8.270 nan 0.000 0.440 92 M N -0.892 118.621 119.600 -0.145 0.000 2.557 92 M HA -0.055 4.432 4.480 0.013 0.000 0.259 92 M C 0.749 177.122 176.300 0.122 0.000 1.086 92 M CA 1.332 56.578 55.300 -0.090 0.000 1.096 92 M CB -0.609 31.913 32.600 -0.130 0.000 1.424 92 M HN 0.387 nan 8.290 nan 0.000 0.488 93 H N -0.703 118.400 119.070 0.054 0.000 2.551 93 H HA 0.262 4.826 4.556 0.013 0.000 0.271 93 H C 1.180 176.448 175.328 -0.100 0.000 0.984 93 H CA 0.085 56.163 56.048 0.049 0.000 1.164 93 H CB 0.400 30.307 29.762 0.241 0.000 1.437 93 H HN 0.559 nan 8.280 nan 0.000 0.550 94 G N 0.673 109.511 108.800 0.063 0.000 2.143 94 G HA2 -0.360 3.608 3.960 0.013 0.000 0.248 94 G HA3 -0.360 3.608 3.960 0.013 0.000 0.248 94 G C 0.297 175.078 174.900 -0.197 0.000 0.991 94 G CA 0.373 45.429 45.100 -0.073 0.000 0.689 94 G HN 0.477 nan 8.290 nan 0.000 0.522 95 Y N 1.288 121.590 120.300 0.002 0.000 2.395 95 Y HA 0.291 4.849 4.550 0.013 0.000 0.293 95 Y C 1.626 177.285 175.900 -0.400 0.000 1.123 95 Y CA 1.473 59.454 58.100 -0.199 0.000 1.227 95 Y CB 0.304 38.692 38.460 -0.120 0.000 1.012 95 Y HN 0.662 nan 8.280 nan 0.000 0.552 96 D N -1.942 118.513 120.400 0.090 0.000 2.692 96 D HA 0.487 5.135 4.640 0.013 0.000 0.303 96 D C -1.248 175.118 176.300 0.111 0.000 1.278 96 D CA -0.858 53.193 54.000 0.085 0.000 0.852 96 D CB 0.717 41.692 40.800 0.291 0.000 1.375 96 D HN -0.067 nan 8.370 nan 0.000 0.453 97 A N 0.032 122.930 122.820 0.130 0.000 2.310 97 A HA 0.710 5.038 4.320 0.013 0.000 0.299 97 A C -2.351 175.245 177.584 0.019 0.000 1.147 97 A CA -1.248 50.837 52.037 0.080 0.000 0.818 97 A CB 0.206 19.326 19.000 0.201 0.000 1.096 97 A HN 0.531 nan 8.150 nan 0.000 0.495 98 P HA 0.406 nan 4.420 nan 0.000 0.275 98 P C -0.903 176.550 177.300 0.255 0.000 1.228 98 P CA 0.105 63.125 63.100 -0.134 0.000 0.786 98 P CB 0.743 32.094 31.700 -0.582 0.000 0.927 99 I N 2.525 123.349 120.570 0.423 0.000 2.404 99 I HA 0.239 4.417 4.170 0.013 0.000 0.293 99 I C -0.313 175.991 176.117 0.313 0.000 0.992 99 I CA -0.930 60.621 61.300 0.417 0.000 1.149 99 I CB 1.392 39.566 38.000 0.291 0.000 1.315 99 I HN 0.277 nan 8.210 nan 0.000 0.446 100 Y N 6.175 126.387 120.300 -0.147 0.000 2.717 100 Y HA 0.449 5.007 4.550 0.013 0.000 0.329 100 Y C -0.164 175.563 175.900 -0.289 0.000 1.017 100 Y CA -0.533 57.178 58.100 -0.647 0.000 1.275 100 Y CB 0.806 38.380 38.460 -1.478 0.000 1.109 100 Y HN 0.546 nan 8.280 nan 0.000 0.511 101 T N 4.825 118.907 114.554 -0.787 0.000 2.856 101 T HA 0.258 4.615 4.350 0.013 0.000 0.283 101 T C 0.376 174.607 174.700 -0.781 0.000 1.008 101 T CA -0.526 61.124 62.100 -0.751 0.000 0.997 101 T CB 0.995 69.644 68.868 -0.364 0.000 0.992 101 T HN 0.756 nan 8.240 nan 0.000 0.454 102 N N 2.852 121.127 118.700 -0.709 0.000 2.358 102 N HA 0.069 4.817 4.740 0.013 0.000 0.209 102 N C 1.530 176.781 175.510 -0.432 0.000 1.033 102 N CA 1.319 54.099 53.050 -0.450 0.000 1.021 102 N CB -0.598 37.634 38.487 -0.424 0.000 1.244 102 N HN 0.390 nan 8.380 nan 0.000 0.523 103 V N 0.447 120.036 119.914 -0.542 0.000 2.436 103 V HA 0.125 4.252 4.120 0.013 0.000 0.240 103 V C 0.359 176.142 176.094 -0.519 0.000 1.040 103 V CA 0.848 62.756 62.300 -0.654 0.000 1.052 103 V CB -0.752 30.551 31.823 -0.867 0.000 0.707 103 V HN 0.331 nan 8.190 nan 0.000 0.469 104 T N 1.318 115.626 114.554 -0.410 0.000 2.871 104 T HA 0.069 4.427 4.350 0.013 0.000 0.296 104 T C -0.286 174.259 174.700 -0.259 0.000 0.998 104 T CA 0.298 62.226 62.100 -0.287 0.000 1.162 104 T CB -0.411 68.332 68.868 -0.209 0.000 0.947 104 T HN 0.202 nan 8.240 nan 0.000 0.536 105 Y N 4.824 125.026 120.300 -0.163 0.000 2.805 105 Y HA 0.047 4.604 4.550 0.013 0.000 0.337 105 Y C -0.864 174.904 175.900 -0.219 0.000 1.252 105 Y CA -1.631 56.362 58.100 -0.180 0.000 1.515 105 Y CB 0.413 38.769 38.460 -0.175 0.000 1.305 105 Y HN 0.538 nan 8.280 nan 0.000 0.600 106 P HA -0.019 nan 4.420 nan 0.000 0.242 106 P C -0.377 176.701 177.300 -0.369 0.000 1.197 106 P CA 1.111 64.091 63.100 -0.199 0.000 0.765 106 P CB -0.088 31.492 31.700 -0.199 0.000 0.936 107 I N -6.181 114.173 120.570 -0.360 0.000 3.145 107 I HA 0.493 4.671 4.170 0.013 0.000 0.313 107 I C -0.600 175.389 176.117 -0.214 0.000 1.122 107 I CA -1.279 59.768 61.300 -0.421 0.000 0.987 107 I CB 1.656 39.244 38.000 -0.687 0.000 1.236 107 I HN -0.502 nan 8.210 nan 0.000 0.453 108 T N 2.748 117.211 114.554 -0.151 0.000 2.908 108 T HA 0.153 4.511 4.350 0.013 0.000 0.301 108 T C 0.124 174.810 174.700 -0.024 0.000 1.019 108 T CA -0.123 61.943 62.100 -0.055 0.000 1.152 108 T CB 0.349 69.204 68.868 -0.020 0.000 0.966 108 T HN 0.367 nan 8.240 nan 0.000 0.540 109 V N 5.376 125.295 119.914 0.009 0.000 2.381 109 V HA 0.231 4.358 4.120 0.013 0.000 0.257 109 V C 0.715 176.871 176.094 0.104 0.000 1.057 109 V CA -0.211 62.117 62.300 0.048 0.000 1.013 109 V CB -0.014 31.832 31.823 0.039 0.000 1.069 109 V HN 0.871 nan 8.190 nan 0.000 0.484 110 N N 5.892 124.720 118.700 0.212 0.000 2.666 110 N HA 0.251 4.999 4.740 0.013 0.000 0.253 110 N C -2.925 172.703 175.510 0.196 0.000 1.621 110 N CA -1.218 51.940 53.050 0.179 0.000 0.785 110 N CB 1.280 39.889 38.487 0.204 0.000 1.332 110 N HN 0.286 nan 8.380 nan 0.000 0.514 111 P HA 0.113 nan 4.420 nan 0.000 0.264 111 P C -2.131 175.035 177.300 -0.223 0.000 1.183 111 P CA -0.586 62.170 63.100 -0.573 0.000 0.763 111 P CB 0.510 31.712 31.700 -0.829 0.000 0.807 112 P HA 0.156 nan 4.420 nan 0.000 0.266 112 P C -0.283 176.874 177.300 -0.239 0.000 1.381 112 P CA -0.228 62.646 63.100 -0.376 0.000 0.940 112 P CB 0.103 31.518 31.700 -0.474 0.000 1.435 113 F N 1.311 121.364 119.950 0.171 0.000 2.450 113 F HA 0.231 4.766 4.527 0.013 0.000 0.339 113 F C 1.466 177.433 175.800 0.278 0.000 1.146 113 F CA -0.506 57.608 58.000 0.191 0.000 1.267 113 F CB 0.259 39.319 39.000 0.101 0.000 1.178 113 F HN -0.200 nan 8.300 nan 0.000 0.585 114 V N -0.983 119.187 119.914 0.425 0.000 3.113 114 V HA 0.722 4.850 4.120 0.013 0.000 0.316 114 V C -2.765 173.495 176.094 0.277 0.000 1.125 114 V CA -2.940 59.545 62.300 0.309 0.000 1.026 114 V CB 1.464 33.524 31.823 0.394 0.000 1.080 114 V HN 0.490 nan 8.190 nan 0.000 0.444 115 P HA 0.233 nan 4.420 nan 0.000 0.269 115 P C 0.973 178.422 177.300 0.249 0.000 1.209 115 P CA 0.350 63.550 63.100 0.167 0.000 0.776 115 P CB 0.586 32.346 31.700 0.099 0.000 0.876 116 T N -1.128 113.542 114.554 0.193 0.000 2.867 116 T HA -0.114 4.244 4.350 0.013 0.000 0.268 116 T C 0.629 175.441 174.700 0.186 0.000 1.057 116 T CA 0.912 63.129 62.100 0.194 0.000 1.136 116 T CB -0.493 68.456 68.868 0.135 0.000 0.874 116 T HN 0.399 nan 8.240 nan 0.000 0.466 117 E N 2.577 122.885 120.200 0.180 0.000 1.941 117 E HA 0.231 4.589 4.350 0.013 0.000 0.275 117 E C -0.762 175.997 176.600 0.265 0.000 1.113 117 E CA -0.320 56.192 56.400 0.186 0.000 0.878 117 E CB 0.140 29.952 29.700 0.186 0.000 1.070 117 E HN 0.220 nan 8.360 nan 0.000 0.399 118 N N 4.878 123.705 118.700 0.212 0.000 2.576 118 N HA 0.249 4.997 4.740 0.013 0.000 0.269 118 N C -2.893 172.647 175.510 0.050 0.000 1.058 118 N CA -2.359 50.852 53.050 0.268 0.000 0.860 118 N CB 1.256 39.885 38.487 0.238 0.000 1.249 118 N HN 0.050 nan 8.380 nan 0.000 0.525 119 P HA 0.023 nan 4.420 nan 0.000 0.261 119 P C -0.801 176.407 177.300 -0.154 0.000 1.173 119 P CA 0.450 63.479 63.100 -0.119 0.000 0.760 119 P CB 0.366 32.295 31.700 0.382 0.000 0.783 120 T N 2.726 116.906 114.554 -0.623 0.000 2.786 120 T HA 0.530 4.888 4.350 0.013 0.000 0.283 120 T C 0.371 174.480 174.700 -0.986 0.000 0.992 120 T CA -0.563 61.198 62.100 -0.566 0.000 0.954 120 T CB 1.383 69.994 68.868 -0.428 0.000 0.934 120 T HN 0.356 nan 8.240 nan 0.000 0.440 121 G N 1.300 109.523 108.800 -0.962 0.000 2.377 121 G HA2 0.467 4.435 3.960 0.013 0.000 0.316 121 G HA3 0.467 4.435 3.960 0.013 0.000 0.316 121 G C -0.229 174.374 174.900 -0.495 0.000 1.115 121 G CA -0.365 44.087 45.100 -1.079 0.000 0.952 121 G HN 0.858 nan 8.290 nan 0.000 0.441 122 C N 3.356 122.124 119.300 -0.886 0.000 2.223 122 C HA 0.480 4.948 4.460 0.013 0.000 0.324 122 C C -0.618 174.289 174.990 -0.138 0.000 1.196 122 C CA -0.925 57.719 59.018 -0.624 0.000 1.628 122 C CB -1.515 25.384 27.740 -1.401 0.000 2.229 122 C HN 0.644 nan 8.230 nan 0.000 0.486 123 Y N 2.126 122.697 120.300 0.453 0.000 2.387 123 Y HA 0.642 5.200 4.550 0.013 0.000 0.336 123 Y C 0.736 177.131 175.900 0.825 0.000 1.067 123 Y CA -0.146 58.341 58.100 0.646 0.000 1.114 123 Y CB 1.615 40.396 38.460 0.535 0.000 1.208 123 Y HN 0.696 nan 8.280 nan 0.000 0.458 124 S N 2.570 118.824 115.700 0.922 0.000 2.596 124 S HA 0.859 5.337 4.470 0.013 0.000 0.270 124 S C -1.954 172.775 174.600 0.214 0.000 1.155 124 S CA -0.788 57.741 58.200 0.548 0.000 0.827 124 S CB 2.274 65.667 63.200 0.321 0.000 1.130 124 S HN 0.610 nan 8.310 nan 0.000 0.467 125 L N 0.554 121.706 121.223 -0.117 0.000 2.549 125 L HA 0.688 5.036 4.340 0.013 0.000 0.259 125 L C -1.058 175.739 176.870 -0.122 0.000 0.934 125 L CA 0.135 54.745 54.840 -0.383 0.000 0.865 125 L CB 2.199 43.514 42.059 -1.240 0.000 1.352 125 L HN 0.932 nan 8.230 nan 0.000 0.410 126 T N 4.911 119.419 114.554 -0.076 0.000 2.795 126 T HA 0.759 5.117 4.350 0.013 0.000 0.282 126 T C -0.742 173.994 174.700 0.060 0.000 0.980 126 T CA 0.053 62.149 62.100 -0.007 0.000 1.012 126 T CB 0.405 69.247 68.868 -0.043 0.000 0.936 126 T HN 0.475 nan 8.240 nan 0.000 0.457 127 F N 1.483 121.360 119.950 -0.123 0.000 2.754 127 F HA 0.841 5.376 4.527 0.013 0.000 0.320 127 F C -1.091 174.662 175.800 -0.079 0.000 1.156 127 F CA -1.400 56.533 58.000 -0.113 0.000 0.950 127 F CB 1.407 40.331 39.000 -0.127 0.000 1.388 127 F HN 0.531 nan 8.300 nan 0.000 0.485 128 N N -0.374 118.237 118.700 -0.148 0.000 2.732 128 N HA 0.649 5.397 4.740 0.013 0.000 0.259 128 N C -1.624 173.851 175.510 -0.058 0.000 1.402 128 N CA -0.481 52.404 53.050 -0.275 0.000 0.829 128 N CB 1.971 40.316 38.487 -0.236 0.000 1.495 128 N HN 0.938 nan 8.380 nan 0.000 0.511 129 V N -3.755 116.093 119.914 -0.109 0.000 3.113 129 V HA 0.597 4.725 4.120 0.013 0.000 0.316 129 V C -0.233 175.671 176.094 -0.315 0.000 1.125 129 V CA -1.030 61.149 62.300 -0.202 0.000 1.026 129 V CB 1.693 33.508 31.823 -0.014 0.000 1.080 129 V HN 0.868 nan 8.190 nan 0.000 0.444 130 D N 0.955 120.974 120.400 -0.634 0.000 2.488 130 D HA -0.062 4.586 4.640 0.013 0.000 0.238 130 D C 1.000 177.146 176.300 -0.257 0.000 1.138 130 D CA 0.404 54.096 54.000 -0.512 0.000 0.873 130 D CB 1.615 41.952 40.800 -0.773 0.000 1.183 130 D HN 0.860 nan 8.370 nan 0.000 0.458 131 E N 2.489 122.606 120.200 -0.138 0.000 2.136 131 E HA -0.267 4.091 4.350 0.013 0.000 0.202 131 E C 1.875 178.486 176.600 0.018 0.000 1.019 131 E CA 2.206 58.579 56.400 -0.045 0.000 0.819 131 E CB -0.428 29.253 29.700 -0.032 0.000 0.739 131 E HN 0.521 nan 8.360 nan 0.000 0.458 132 S N -1.057 114.664 115.700 0.034 0.000 2.419 132 S HA -0.145 4.333 4.470 0.013 0.000 0.233 132 S C 1.718 176.463 174.600 0.242 0.000 1.016 132 S CA 1.000 59.285 58.200 0.141 0.000 0.974 132 S CB -0.730 62.571 63.200 0.168 0.000 0.786 132 S HN 0.394 nan 8.310 nan 0.000 0.492 133 W N 1.682 122.857 121.300 -0.209 0.000 2.467 133 W HA 0.351 5.018 4.660 0.013 0.000 0.275 133 W C 2.018 178.508 176.519 -0.049 0.000 1.239 133 W CA -0.492 56.667 57.345 -0.310 0.000 1.266 133 W CB -0.943 28.275 29.460 -0.404 0.000 1.112 133 W HN 0.322 nan 8.180 nan 0.000 0.576 134 L N -0.306 121.030 121.223 0.188 0.000 2.109 134 L HA -0.149 4.199 4.340 0.013 0.000 0.207 134 L C 2.446 179.385 176.870 0.116 0.000 1.086 134 L CA 1.063 55.980 54.840 0.129 0.000 0.760 134 L CB -0.973 41.128 42.059 0.070 0.000 0.910 134 L HN -0.002 nan 8.230 nan 0.000 0.437 135 Q N -0.060 119.809 119.800 0.116 0.000 1.975 135 Q HA -0.079 4.269 4.340 0.013 0.000 0.205 135 Q C 0.226 176.296 176.000 0.116 0.000 0.990 135 Q CA 1.198 57.063 55.803 0.103 0.000 0.845 135 Q CB 0.238 29.037 28.738 0.101 0.000 0.913 135 Q HN 0.466 nan 8.270 nan 0.000 0.420 136 E N -2.184 118.115 120.200 0.165 0.000 2.456 136 E HA 0.498 4.856 4.350 0.013 0.000 0.278 136 E C -0.439 176.301 176.600 0.233 0.000 1.034 136 E CA -0.056 56.436 56.400 0.154 0.000 0.846 136 E CB 1.576 31.345 29.700 0.114 0.000 1.460 136 E HN 0.316 nan 8.360 nan 0.000 0.463 137 G N 0.873 109.726 108.800 0.087 0.000 2.796 137 G HA2 -0.222 3.746 3.960 0.013 0.000 0.571 137 G HA3 -0.222 3.746 3.960 0.013 0.000 0.571 137 G C -0.748 174.120 174.900 -0.054 0.000 1.370 137 G CA -0.163 44.891 45.100 -0.077 0.000 0.856 137 G HN 0.465 nan 8.290 nan 0.000 0.538 138 Q N -0.243 119.427 119.800 -0.216 0.000 2.307 138 Q HA 0.630 4.978 4.340 0.013 0.000 0.262 138 Q C -0.725 175.223 176.000 -0.085 0.000 0.961 138 Q CA -0.408 55.339 55.803 -0.093 0.000 0.882 138 Q CB 1.135 29.809 28.738 -0.107 0.000 1.264 138 Q HN 0.595 nan 8.270 nan 0.000 0.446 139 T N 5.456 120.043 114.554 0.055 0.000 2.791 139 T HA 0.454 4.812 4.350 0.013 0.000 0.288 139 T C -0.596 174.152 174.700 0.080 0.000 0.999 139 T CA -0.678 61.461 62.100 0.065 0.000 0.952 139 T CB 0.517 69.508 68.868 0.205 0.000 0.938 139 T HN 0.638 nan 8.240 nan 0.000 0.444 140 R N 2.846 123.364 120.500 0.029 0.000 2.873 140 R HA 0.775 5.123 4.340 0.013 0.000 0.264 140 R C -1.000 175.326 176.300 0.043 0.000 1.026 140 R CA -1.037 55.097 56.100 0.056 0.000 1.002 140 R CB 1.605 31.926 30.300 0.034 0.000 1.174 140 R HN 0.537 nan 8.270 nan 0.000 0.488 141 I N 2.273 122.881 120.570 0.065 0.000 2.412 141 I HA 0.421 4.599 4.170 0.013 0.000 0.296 141 I C -1.024 175.083 176.117 -0.016 0.000 0.987 141 I CA -1.318 59.967 61.300 -0.024 0.000 1.180 141 I CB 1.304 39.287 38.000 -0.028 0.000 1.340 141 I HN 0.601 nan 8.210 nan 0.000 0.455 142 I N 7.446 127.913 120.570 -0.172 0.000 2.418 142 I HA 0.291 4.469 4.170 0.013 0.000 0.287 142 I C -1.289 174.657 176.117 -0.286 0.000 1.008 142 I CA -0.444 60.783 61.300 -0.121 0.000 1.104 142 I CB 1.414 39.359 38.000 -0.091 0.000 1.264 142 I HN 0.393 nan 8.210 nan 0.000 0.438 143 F N 4.443 124.373 119.950 -0.034 0.000 2.332 143 F HA 0.290 4.824 4.527 0.013 0.000 0.368 143 F C 1.255 176.943 175.800 -0.186 0.000 1.110 143 F CA -0.551 57.360 58.000 -0.149 0.000 1.087 143 F CB 0.785 39.645 39.000 -0.232 0.000 1.235 143 F HN 0.438 nan 8.300 nan 0.000 0.470 144 D N 2.317 122.635 120.400 -0.136 0.000 2.178 144 D HA 0.026 4.673 4.640 0.013 0.000 0.202 144 D C 1.055 177.180 176.300 -0.290 0.000 0.974 144 D CA 1.054 54.919 54.000 -0.225 0.000 0.841 144 D CB 0.340 40.950 40.800 -0.316 0.000 0.953 144 D HN 0.626 nan 8.370 nan 0.000 0.478 145 G N -0.351 108.210 108.800 -0.398 0.000 2.608 145 G HA2 0.463 4.431 3.960 0.013 0.000 0.285 145 G HA3 0.463 4.431 3.960 0.013 0.000 0.285 145 G C -1.375 173.310 174.900 -0.358 0.000 1.407 145 G CA -0.399 44.373 45.100 -0.546 0.000 1.276 145 G HN -0.052 nan 8.290 nan 0.000 0.587 146 V N 2.421 122.295 119.914 -0.068 0.000 2.577 146 V HA 0.586 4.714 4.120 0.013 0.000 0.303 146 V C -0.814 175.333 176.094 0.089 0.000 1.042 146 V CA -1.183 61.061 62.300 -0.093 0.000 0.872 146 V CB 2.011 33.499 31.823 -0.558 0.000 0.998 146 V HN 0.702 nan 8.190 nan 0.000 0.423 147 N N 2.170 120.893 118.700 0.038 0.000 2.399 147 N HA 0.340 5.087 4.740 0.013 0.000 0.280 147 N C 0.585 176.001 175.510 -0.156 0.000 1.008 147 N CA 0.133 53.130 53.050 -0.088 0.000 0.894 147 N CB 2.405 40.685 38.487 -0.345 0.000 1.273 147 N HN 0.669 nan 8.380 nan 0.000 0.486 148 S N 2.058 117.708 115.700 -0.084 0.000 2.497 148 S HA 0.533 5.010 4.470 0.013 0.000 0.218 148 S C 0.396 175.041 174.600 0.075 0.000 1.023 148 S CA 0.244 58.450 58.200 0.010 0.000 0.913 148 S CB 0.245 63.476 63.200 0.051 0.000 0.800 148 S HN 0.702 nan 8.310 nan 0.000 0.505 149 A N 0.703 123.574 122.820 0.085 0.000 2.606 149 A HA 0.776 5.103 4.320 0.013 0.000 0.293 149 A C -1.186 176.453 177.584 0.092 0.000 1.082 149 A CA -1.015 51.036 52.037 0.023 0.000 0.685 149 A CB 0.893 19.957 19.000 0.106 0.000 1.284 149 A HN 1.058 nan 8.150 nan 0.000 0.408 150 F N -0.652 119.048 119.950 -0.417 0.000 2.693 150 F HA 0.734 5.269 4.527 0.013 0.000 0.309 150 F C -1.127 174.468 175.800 -0.342 0.000 1.129 150 F CA -0.878 56.977 58.000 -0.241 0.000 0.948 150 F CB 1.203 40.069 39.000 -0.224 0.000 1.315 150 F HN 0.605 nan 8.300 nan 0.000 0.447 151 H N 1.897 121.054 119.070 0.145 0.000 2.472 151 H HA 0.708 5.272 4.556 0.013 0.000 0.338 151 H C -1.437 173.798 175.328 -0.156 0.000 1.133 151 H CA -0.698 55.321 56.048 -0.049 0.000 1.216 151 H CB 2.431 32.178 29.762 -0.025 0.000 1.497 151 H HN 0.774 nan 8.280 nan 0.000 0.500 152 L N 3.373 124.308 121.223 -0.481 0.000 2.386 152 L HA 0.426 4.774 4.340 0.013 0.000 0.271 152 L C -1.680 174.812 176.870 -0.630 0.000 0.993 152 L CA -0.492 54.120 54.840 -0.381 0.000 0.819 152 L CB 1.515 43.238 42.059 -0.561 0.000 1.294 152 L HN 0.525 nan 8.230 nan 0.000 0.414 153 W N 4.378 125.644 121.300 -0.056 0.000 2.844 153 W HA 0.625 5.293 4.660 0.013 0.000 0.340 153 W C -1.144 175.332 176.519 -0.073 0.000 1.093 153 W CA -0.837 56.470 57.345 -0.063 0.000 1.212 153 W CB 2.036 31.499 29.460 0.005 0.000 1.422 153 W HN 0.633 nan 8.180 nan 0.000 0.515 154 C N 3.980 123.375 119.300 0.159 0.000 2.547 154 C HA 0.318 4.786 4.460 0.013 0.000 0.313 154 C C 0.350 175.489 174.990 0.247 0.000 1.191 154 C CA -0.365 58.753 59.018 0.166 0.000 1.474 154 C CB 0.130 27.906 27.740 0.060 0.000 2.081 154 C HN 0.815 nan 8.230 nan 0.000 0.476 155 N N 3.253 122.056 118.700 0.173 0.000 2.708 155 N HA -0.201 4.546 4.740 0.013 0.000 0.251 155 N C 1.048 176.637 175.510 0.132 0.000 1.017 155 N CA 2.019 55.139 53.050 0.117 0.000 0.742 155 N CB -1.195 37.367 38.487 0.125 0.000 0.943 155 N HN 1.798 nan 8.380 nan 0.000 0.539 156 G N -1.265 107.607 108.800 0.120 0.000 2.234 156 G HA2 -0.380 3.587 3.960 0.013 0.000 0.260 156 G HA3 -0.380 3.587 3.960 0.013 0.000 0.260 156 G C 0.182 175.264 174.900 0.302 0.000 0.987 156 G CA 0.657 45.825 45.100 0.113 0.000 0.625 156 G HN 0.567 nan 8.290 nan 0.000 0.532 157 R N -0.791 119.944 120.500 0.392 0.000 2.312 157 R HA 0.423 4.771 4.340 0.013 0.000 0.311 157 R C -0.081 176.547 176.300 0.546 0.000 1.004 157 R CA -0.815 55.583 56.100 0.497 0.000 0.902 157 R CB 0.919 31.517 30.300 0.497 0.000 1.073 157 R HN 0.248 nan 8.270 nan 0.000 0.457 158 W N 3.874 125.355 121.300 0.302 0.000 2.251 158 W HA 0.073 4.740 4.660 0.013 0.000 0.327 158 W C 0.033 176.514 176.519 -0.064 0.000 1.361 158 W CA 0.007 57.258 57.345 -0.156 0.000 1.234 158 W CB 0.636 29.971 29.460 -0.208 0.000 1.212 158 W HN 0.337 nan 8.180 nan 0.000 0.557 159 V N 5.380 124.578 119.914 -1.194 0.000 2.599 159 V HA 0.542 4.670 4.120 0.013 0.000 0.237 159 V C 1.068 176.162 176.094 -1.667 0.000 1.081 159 V CA 1.076 62.653 62.300 -1.205 0.000 1.107 159 V CB -0.493 30.670 31.823 -1.100 0.000 0.808 159 V HN 0.803 nan 8.190 nan 0.000 0.486 160 G N -1.932 105.693 108.800 -1.958 0.000 2.490 160 G HA2 0.506 4.473 3.960 0.013 0.000 0.308 160 G HA3 0.506 4.473 3.960 0.013 0.000 0.308 160 G C -2.441 171.984 174.900 -0.792 0.000 1.286 160 G CA -0.281 44.011 45.100 -1.346 0.000 0.825 160 G HN 0.020 nan 8.290 nan 0.000 0.479 161 Y N -0.697 119.287 120.300 -0.527 0.000 2.552 161 Y HA 0.665 5.223 4.550 0.013 0.000 0.337 161 Y C -0.146 175.536 175.900 -0.363 0.000 1.094 161 Y CA -0.050 57.699 58.100 -0.586 0.000 1.028 161 Y CB 2.185 40.488 38.460 -0.262 0.000 1.321 161 Y HN 1.195 nan 8.280 nan 0.000 0.456 162 G N 3.699 111.716 108.800 -1.304 0.000 2.696 162 G HA2 0.604 4.572 3.960 0.013 0.000 0.295 162 G HA3 0.604 4.572 3.960 0.013 0.000 0.295 162 G C -2.110 172.377 174.900 -0.689 0.000 1.398 162 G CA -0.892 43.766 45.100 -0.737 0.000 0.920 162 G HN 0.604 nan 8.290 nan 0.000 0.492 163 Q N -0.157 119.486 119.800 -0.262 0.000 2.552 163 Q HA 0.602 4.950 4.340 0.013 0.000 0.289 163 Q C -1.363 174.652 176.000 0.026 0.000 1.097 163 Q CA -0.885 54.877 55.803 -0.068 0.000 0.812 163 Q CB 2.691 31.442 28.738 0.022 0.000 1.460 163 Q HN 0.605 nan 8.270 nan 0.000 0.452 164 D N -0.082 120.362 120.400 0.074 0.000 4.370 164 D HA -0.094 4.554 4.640 0.013 0.000 0.238 164 D C -0.513 175.848 176.300 0.101 0.000 1.104 164 D CA 0.342 54.394 54.000 0.088 0.000 1.101 164 D CB -0.593 40.242 40.800 0.058 0.000 0.749 164 D HN 0.556 nan 8.370 nan 0.000 0.351 165 S N 2.785 118.556 115.700 0.117 0.000 2.547 165 S HA -0.077 4.401 4.470 0.013 0.000 0.235 165 S C 1.590 176.314 174.600 0.206 0.000 0.980 165 S CA 0.558 58.849 58.200 0.152 0.000 0.941 165 S CB 0.244 63.490 63.200 0.076 0.000 0.763 165 S HN 0.430 nan 8.310 nan 0.000 0.532 166 R N 0.167 120.753 120.500 0.144 0.000 2.472 166 R HA 0.414 4.762 4.340 0.013 0.000 0.279 166 R C -0.348 176.004 176.300 0.087 0.000 0.953 166 R CA 0.092 56.277 56.100 0.142 0.000 1.088 166 R CB 0.160 30.569 30.300 0.181 0.000 1.197 166 R HN 0.327 nan 8.270 nan 0.000 0.536 167 L N 1.792 123.039 121.223 0.041 0.000 2.388 167 L HA 0.496 4.844 4.340 0.013 0.000 0.264 167 L C -2.406 174.438 176.870 -0.043 0.000 0.998 167 L CA -2.317 52.514 54.840 -0.015 0.000 0.817 167 L CB 2.938 44.980 42.059 -0.029 0.000 1.338 167 L HN -0.216 nan 8.230 nan 0.000 0.414 168 P HA 0.086 nan 4.420 nan 0.000 0.271 168 P C -0.862 176.405 177.300 -0.055 0.000 1.216 168 P CA -0.176 62.875 63.100 -0.082 0.000 0.776 168 P CB 1.218 32.830 31.700 -0.148 0.000 0.881 169 S N 1.949 117.685 115.700 0.059 0.000 2.456 169 S HA 0.292 4.770 4.470 0.013 0.000 0.316 169 S C -0.393 174.178 174.600 -0.049 0.000 1.089 169 S CA -0.587 57.623 58.200 0.016 0.000 1.101 169 S CB 0.672 64.100 63.200 0.379 0.000 0.995 169 S HN 0.374 nan 8.310 nan 0.000 0.468 170 E N 2.368 122.313 120.200 -0.425 0.000 2.212 170 E HA 0.596 4.954 4.350 0.013 0.000 0.268 170 E C -1.395 174.720 176.600 -0.808 0.000 0.902 170 E CA -0.639 55.556 56.400 -0.343 0.000 0.779 170 E CB 1.639 31.270 29.700 -0.116 0.000 1.172 170 E HN 0.401 nan 8.360 nan 0.000 0.409 171 F N 0.561 120.554 119.950 0.073 0.000 2.578 171 F HA 0.205 4.740 4.527 0.013 0.000 0.311 171 F C -0.066 175.736 175.800 0.004 0.000 1.094 171 F CA -1.171 56.831 58.000 0.003 0.000 0.923 171 F CB 1.651 40.617 39.000 -0.055 0.000 1.230 171 F HN 0.311 nan 8.300 nan 0.000 0.450 172 D N 2.991 123.492 120.400 0.169 0.000 2.339 172 D HA 0.216 4.864 4.640 0.013 0.000 0.256 172 D C 0.373 176.786 176.300 0.188 0.000 1.214 172 D CA 0.311 54.398 54.000 0.145 0.000 0.877 172 D CB 1.016 41.894 40.800 0.130 0.000 1.111 172 D HN 0.585 nan 8.370 nan 0.000 0.478 173 L N 2.739 124.074 121.223 0.188 0.000 2.640 173 L HA 0.013 4.361 4.340 0.013 0.000 0.230 173 L C 2.190 179.302 176.870 0.403 0.000 1.123 173 L CA -0.174 54.817 54.840 0.252 0.000 0.900 173 L CB 0.014 42.195 42.059 0.203 0.000 1.146 173 L HN 0.292 nan 8.230 nan 0.000 0.484 174 S N 1.440 117.312 115.700 0.287 0.000 2.390 174 S HA -0.320 4.157 4.470 0.013 0.000 0.234 174 S C 1.986 176.720 174.600 0.222 0.000 1.063 174 S CA 2.010 60.348 58.200 0.230 0.000 1.108 174 S CB -0.228 63.062 63.200 0.149 0.000 0.975 174 S HN 0.574 nan 8.310 nan 0.000 0.442 175 A N -0.732 122.218 122.820 0.216 0.000 2.238 175 A HA 0.309 4.636 4.320 0.013 0.000 0.208 175 A C 1.258 178.768 177.584 -0.123 0.000 1.177 175 A CA 0.369 52.406 52.037 0.001 0.000 0.804 175 A CB -0.444 18.475 19.000 -0.135 0.000 0.823 175 A HN 0.477 nan 8.150 nan 0.000 0.482 176 F N -0.665 119.337 119.950 0.086 0.000 2.717 176 F HA 0.336 4.871 4.527 0.013 0.000 0.297 176 F C 0.668 176.520 175.800 0.087 0.000 1.113 176 F CA -0.370 57.681 58.000 0.086 0.000 1.319 176 F CB -0.029 39.034 39.000 0.104 0.000 1.097 176 F HN -0.040 nan 8.300 nan 0.000 0.595 177 L N 2.417 123.820 121.223 0.299 0.000 2.456 177 L HA 0.246 4.593 4.340 0.013 0.000 0.272 177 L C 0.456 177.385 176.870 0.097 0.000 1.189 177 L CA 0.047 55.007 54.840 0.199 0.000 0.846 177 L CB 0.412 42.606 42.059 0.225 0.000 1.111 177 L HN 0.162 nan 8.230 nan 0.000 0.475 178 R N 2.484 123.001 120.500 0.028 0.000 2.837 178 R HA 0.819 5.167 4.340 0.013 0.000 0.271 178 R C -0.946 175.329 176.300 -0.043 0.000 0.993 178 R CA -0.935 55.162 56.100 -0.005 0.000 0.931 178 R CB 1.447 31.740 30.300 -0.012 0.000 1.206 178 R HN 0.530 nan 8.270 nan 0.000 0.474 179 A N 1.200 123.999 122.820 -0.034 0.000 2.498 179 A HA 0.488 4.816 4.320 0.013 0.000 0.239 179 A C 1.031 178.569 177.584 -0.076 0.000 1.068 179 A CA 0.963 52.971 52.037 -0.048 0.000 0.766 179 A CB -0.737 18.243 19.000 -0.032 0.000 1.003 179 A HN 1.390 nan 8.150 nan 0.000 0.497 180 G N 1.088 109.832 108.800 -0.093 0.000 2.553 180 G HA2 -0.177 3.791 3.960 0.013 0.000 0.242 180 G HA3 -0.177 3.791 3.960 0.013 0.000 0.242 180 G C -0.127 174.670 174.900 -0.171 0.000 1.277 180 G CA 0.166 45.200 45.100 -0.110 0.000 0.910 180 G HN 1.049 nan 8.290 nan 0.000 0.576 181 E N 1.225 121.327 120.200 -0.162 0.000 2.376 181 E HA 0.227 4.585 4.350 0.013 0.000 0.266 181 E C 0.255 176.688 176.600 -0.279 0.000 1.009 181 E CA 0.140 56.413 56.400 -0.211 0.000 0.902 181 E CB 0.202 29.820 29.700 -0.136 0.000 0.972 181 E HN 0.415 nan 8.360 nan 0.000 0.439 182 N N 2.507 120.914 118.700 -0.488 0.000 2.328 182 N HA 0.395 5.143 4.740 0.013 0.000 0.299 182 N C -0.859 174.453 175.510 -0.329 0.000 1.179 182 N CA -0.701 52.032 53.050 -0.529 0.000 0.793 182 N CB 2.097 39.969 38.487 -1.025 0.000 1.366 182 N HN 0.271 nan 8.380 nan 0.000 0.493 183 R N 1.692 122.146 120.500 -0.076 0.000 2.476 183 R HA 0.448 4.796 4.340 0.013 0.000 0.305 183 R C -1.176 175.222 176.300 0.165 0.000 0.965 183 R CA -0.456 55.673 56.100 0.048 0.000 0.867 183 R CB 0.819 31.102 30.300 -0.028 0.000 1.176 183 R HN 0.477 nan 8.270 nan 0.000 0.447 184 L N 2.999 124.353 121.223 0.217 0.000 2.379 184 L HA 0.760 5.108 4.340 0.013 0.000 0.269 184 L C -0.188 176.778 176.870 0.159 0.000 1.084 184 L CA -0.855 54.117 54.840 0.219 0.000 0.802 184 L CB 1.827 44.008 42.059 0.202 0.000 1.175 184 L HN 0.790 nan 8.230 nan 0.000 0.448 185 A N 2.675 125.612 122.820 0.195 0.000 2.402 185 A HA 0.723 5.051 4.320 0.013 0.000 0.291 185 A C -1.218 176.685 177.584 0.531 0.000 1.051 185 A CA -0.418 51.657 52.037 0.064 0.000 0.716 185 A CB 1.626 20.153 19.000 -0.787 0.000 1.223 185 A HN 0.351 nan 8.150 nan 0.000 0.425 186 V N 3.412 123.802 119.914 0.793 0.000 2.483 186 V HA 0.471 4.599 4.120 0.013 0.000 0.297 186 V C -0.116 176.532 176.094 0.923 0.000 1.027 186 V CA -0.279 62.485 62.300 0.774 0.000 0.855 186 V CB 1.657 33.780 31.823 0.500 0.000 0.995 186 V HN 0.961 nan 8.190 nan 0.000 0.424 187 M N 5.958 126.135 119.600 0.961 0.000 2.055 187 M HA 0.526 5.014 4.480 0.013 0.000 0.347 187 M C -1.323 175.241 176.300 0.440 0.000 1.123 187 M CA -0.379 55.319 55.300 0.664 0.000 1.035 187 M CB 1.004 34.071 32.600 0.777 0.000 1.484 187 M HN 0.480 nan 8.290 nan 0.000 0.428 188 V N 6.904 127.026 119.914 0.346 0.000 2.370 188 V HA 0.353 4.481 4.120 0.013 0.000 0.279 188 V C -0.139 176.117 176.094 0.269 0.000 1.029 188 V CA -0.649 61.860 62.300 0.348 0.000 0.870 188 V CB 1.248 33.376 31.823 0.508 0.000 0.984 188 V HN 0.776 nan 8.190 nan 0.000 0.451 189 L N 5.067 126.375 121.223 0.142 0.000 2.276 189 L HA 0.515 4.863 4.340 0.013 0.000 0.286 189 L C 1.530 178.403 176.870 0.006 0.000 1.061 189 L CA -0.284 54.557 54.840 0.002 0.000 0.807 189 L CB 0.901 42.849 42.059 -0.187 0.000 1.177 189 L HN 0.588 nan 8.230 nan 0.000 0.429 190 R N 2.794 123.246 120.500 -0.080 0.000 2.070 190 R HA -0.056 4.292 4.340 0.013 0.000 0.232 190 R C -0.270 175.711 176.300 -0.532 0.000 1.138 190 R CA 1.457 57.261 56.100 -0.492 0.000 0.936 190 R CB 0.148 29.937 30.300 -0.852 0.000 0.839 190 R HN 0.562 nan 8.270 nan 0.000 0.429 191 W N 0.139 121.486 121.300 0.080 0.000 2.570 191 W HA 0.379 5.047 4.660 0.013 0.000 0.337 191 W C -0.170 176.440 176.519 0.153 0.000 1.067 191 W CA -0.805 56.595 57.345 0.092 0.000 1.229 191 W CB 1.607 31.127 29.460 0.100 0.000 1.355 191 W HN 0.065 nan 8.180 nan 0.000 0.555 192 S N -1.086 114.876 115.700 0.437 0.000 2.705 192 S HA 0.231 4.709 4.470 0.013 0.000 0.280 192 S C 0.062 174.907 174.600 0.409 0.000 1.174 192 S CA -0.567 57.906 58.200 0.454 0.000 0.823 192 S CB 1.236 64.677 63.200 0.401 0.000 1.162 192 S HN 0.621 nan 8.310 nan 0.000 0.487 193 D N 0.124 120.773 120.400 0.415 0.000 2.350 193 D HA 0.091 4.738 4.640 0.013 0.000 0.216 193 D C 1.650 178.258 176.300 0.514 0.000 0.968 193 D CA 0.971 55.267 54.000 0.493 0.000 0.894 193 D CB -0.577 40.387 40.800 0.273 0.000 0.909 193 D HN 0.678 nan 8.370 nan 0.000 0.520 194 G N 0.112 109.133 108.800 0.369 0.000 2.484 194 G HA2 -0.212 3.755 3.960 0.013 0.000 0.218 194 G HA3 -0.212 3.755 3.960 0.013 0.000 0.218 194 G C 1.649 176.728 174.900 0.298 0.000 1.130 194 G CA 0.484 45.775 45.100 0.317 0.000 0.784 194 G HN 0.291 nan 8.290 nan 0.000 0.543 195 S N -0.029 115.830 115.700 0.265 0.000 2.419 195 S HA -0.094 4.384 4.470 0.013 0.000 0.233 195 S C 1.869 176.550 174.600 0.136 0.000 1.016 195 S CA 0.629 58.948 58.200 0.198 0.000 0.974 195 S CB -0.392 62.927 63.200 0.198 0.000 0.786 195 S HN 0.555 nan 8.310 nan 0.000 0.492 196 Y N 1.222 121.628 120.300 0.176 0.000 2.352 196 Y HA 0.062 4.619 4.550 0.013 0.000 0.292 196 Y C 1.560 177.548 175.900 0.147 0.000 1.136 196 Y CA 0.672 58.790 58.100 0.030 0.000 1.227 196 Y CB -0.188 38.182 38.460 -0.149 0.000 0.991 196 Y HN 0.189 nan 8.280 nan 0.000 0.545 197 L N -0.204 121.206 121.223 0.312 0.000 2.741 197 L HA 0.140 4.488 4.340 0.013 0.000 0.237 197 L C -0.044 176.966 176.870 0.233 0.000 1.178 197 L CA 0.385 55.367 54.840 0.237 0.000 0.973 197 L CB 0.049 42.245 42.059 0.228 0.000 1.255 197 L HN 0.122 nan 8.230 nan 0.000 0.498 198 E N -0.193 120.161 120.200 0.257 0.000 3.846 198 E HA 0.042 4.399 4.350 0.013 0.000 0.216 198 E C -0.403 176.323 176.600 0.210 0.000 1.092 198 E CA -0.078 56.461 56.400 0.232 0.000 1.370 198 E CB 0.514 30.340 29.700 0.210 0.000 1.227 198 E HN 0.033 nan 8.360 nan 0.000 0.442 199 D N 1.007 121.501 120.400 0.156 0.000 2.434 199 D HA 0.024 4.672 4.640 0.013 0.000 0.232 199 D C -0.265 176.056 176.300 0.035 0.000 1.166 199 D CA -0.052 53.943 54.000 -0.008 0.000 0.830 199 D CB 0.155 40.757 40.800 -0.330 0.000 0.960 199 D HN 0.102 nan 8.370 nan 0.000 0.497 200 Q N 0.600 120.503 119.800 0.172 0.000 2.330 200 Q HA 0.060 4.407 4.340 0.013 0.000 0.279 200 Q C 0.016 176.162 176.000 0.242 0.000 1.024 200 Q CA 0.137 56.112 55.803 0.286 0.000 0.900 200 Q CB 0.580 29.633 28.738 0.525 0.000 1.221 200 Q HN 0.030 nan 8.270 nan 0.000 0.396 201 D N 3.868 124.428 120.400 0.267 0.000 2.540 201 D HA 0.088 4.736 4.640 0.013 0.000 0.237 201 D C -0.698 175.798 176.300 0.326 0.000 1.181 201 D CA 0.238 54.380 54.000 0.237 0.000 1.119 201 D CB -0.467 40.444 40.800 0.186 0.000 1.119 201 D HN 0.516 nan 8.370 nan 0.000 0.498 202 M N 0.064 119.816 119.600 0.252 0.000 3.012 202 M HA 0.359 4.847 4.480 0.013 0.000 0.272 202 M C -1.365 175.027 176.300 0.152 0.000 1.187 202 M CA -1.149 54.208 55.300 0.095 0.000 0.813 202 M CB 0.957 33.524 32.600 -0.054 0.000 1.626 202 M HN -0.099 nan 8.290 nan 0.000 0.507 203 W N 2.140 123.530 121.300 0.150 0.000 2.295 203 W HA 0.244 4.911 4.660 0.013 0.000 0.335 203 W C 0.284 176.825 176.519 0.036 0.000 1.351 203 W CA -0.024 57.393 57.345 0.121 0.000 1.273 203 W CB 0.352 29.824 29.460 0.020 0.000 1.214 203 W HN 0.302 nan 8.180 nan 0.000 0.563 204 R N 5.181 125.870 120.500 0.315 0.000 2.205 204 R HA 0.382 4.730 4.340 0.013 0.000 0.342 204 R C -0.111 176.200 176.300 0.019 0.000 1.058 204 R CA -0.123 56.080 56.100 0.173 0.000 0.904 204 R CB 0.025 30.505 30.300 0.300 0.000 1.089 204 R HN 0.561 nan 8.270 nan 0.000 0.471 205 M N 0.126 119.623 119.600 -0.173 0.000 2.752 205 M HA 0.523 5.011 4.480 0.013 0.000 0.285 205 M C -0.047 175.900 176.300 -0.588 0.000 1.140 205 M CA -0.855 54.223 55.300 -0.370 0.000 0.767 205 M CB 2.204 34.578 32.600 -0.376 0.000 1.736 205 M HN 0.578 nan 8.290 nan 0.000 0.452 206 S N -1.166 114.046 115.700 -0.812 0.000 2.587 206 S HA 0.958 5.436 4.470 0.013 0.000 0.269 206 S C -0.647 173.398 174.600 -0.925 0.000 1.154 206 S CA -0.148 57.456 58.200 -0.994 0.000 0.824 206 S CB 1.917 64.317 63.200 -1.334 0.000 1.118 206 S HN 1.436 nan 8.310 nan 0.000 0.462 207 G N 0.122 108.593 108.800 -0.548 0.000 2.315 207 G HA2 0.218 4.186 3.960 0.013 0.000 0.296 207 G HA3 0.218 4.186 3.960 0.013 0.000 0.296 207 G C -1.700 173.178 174.900 -0.037 0.000 1.289 207 G CA -0.604 44.498 45.100 0.004 0.000 0.996 207 G HN 1.111 nan 8.290 nan 0.000 0.487 208 I N 2.084 122.507 120.570 -0.245 0.000 2.313 208 I HA 0.312 4.490 4.170 0.013 0.000 0.286 208 I C 0.887 176.876 176.117 -0.213 0.000 1.091 208 I CA -0.329 60.718 61.300 -0.423 0.000 1.216 208 I CB 0.112 37.558 38.000 -0.923 0.000 1.434 208 I HN 0.530 nan 8.210 nan 0.000 0.487 209 F N 4.361 124.145 119.950 -0.277 0.000 2.678 209 F HA 0.487 5.022 4.527 0.013 0.000 0.305 209 F C 0.647 176.358 175.800 -0.148 0.000 1.090 209 F CA -0.524 57.350 58.000 -0.210 0.000 1.272 209 F CB 0.211 39.092 39.000 -0.199 0.000 1.060 209 F HN 0.136 nan 8.300 nan 0.000 0.576 210 R N 0.557 120.602 120.500 -0.758 0.000 2.930 210 R HA 0.243 4.590 4.340 0.013 0.000 0.257 210 R C -0.763 175.323 176.300 -0.357 0.000 1.107 210 R CA -1.147 54.617 56.100 -0.560 0.000 0.999 210 R CB 0.857 30.733 30.300 -0.708 0.000 1.209 210 R HN -0.024 nan 8.270 nan 0.000 0.486 211 D N 0.703 120.951 120.400 -0.253 0.000 2.419 211 D HA 0.088 4.735 4.640 0.013 0.000 0.236 211 D C -0.466 175.701 176.300 -0.222 0.000 1.165 211 D CA 0.413 54.302 54.000 -0.185 0.000 0.882 211 D CB 0.736 41.458 40.800 -0.129 0.000 1.201 211 D HN -0.018 nan 8.370 nan 0.000 0.443 212 V N 1.212 121.007 119.914 -0.199 0.000 2.495 212 V HA 0.551 4.679 4.120 0.013 0.000 0.298 212 V C -0.046 175.940 176.094 -0.179 0.000 1.031 212 V CA -0.473 61.653 62.300 -0.290 0.000 0.871 212 V CB 1.705 33.376 31.823 -0.253 0.000 0.988 212 V HN 0.725 nan 8.190 nan 0.000 0.432 213 S N 4.560 120.129 115.700 -0.218 0.000 2.638 213 S HA 0.823 5.301 4.470 0.013 0.000 0.274 213 S C -1.184 173.348 174.600 -0.115 0.000 1.157 213 S CA -0.947 57.185 58.200 -0.113 0.000 0.826 213 S CB 1.876 65.041 63.200 -0.058 0.000 1.139 213 S HN 0.439 nan 8.310 nan 0.000 0.474 214 L N 1.417 122.630 121.223 -0.017 0.000 2.346 214 L HA 0.701 5.049 4.340 0.013 0.000 0.276 214 L C -1.468 175.457 176.870 0.092 0.000 1.006 214 L CA -0.848 54.025 54.840 0.055 0.000 0.817 214 L CB 1.714 43.890 42.059 0.194 0.000 1.272 214 L HN 0.603 nan 8.230 nan 0.000 0.421 215 L N 3.250 124.477 121.223 0.007 0.000 2.406 215 L HA 0.411 4.758 4.340 0.013 0.000 0.272 215 L C -0.777 175.972 176.870 -0.201 0.000 0.980 215 L CA -0.101 54.697 54.840 -0.069 0.000 0.831 215 L CB 1.378 43.420 42.059 -0.028 0.000 1.253 215 L HN 0.519 nan 8.230 nan 0.000 0.406 216 H N 5.685 124.418 119.070 -0.561 0.000 2.597 216 H HA 0.431 4.995 4.556 0.013 0.000 0.303 216 H C -1.131 173.924 175.328 -0.456 0.000 1.057 216 H CA -0.623 54.950 56.048 -0.792 0.000 1.261 216 H CB 0.842 29.465 29.762 -1.899 0.000 1.397 216 H HN 0.517 nan 8.280 nan 0.000 0.461 217 K N 5.282 125.302 120.400 -0.634 0.000 2.295 217 K HA 0.385 4.712 4.320 0.013 0.000 0.239 217 K C -2.634 173.650 176.600 -0.526 0.000 0.991 217 K CA -2.031 53.962 56.287 -0.489 0.000 0.845 217 K CB 1.991 34.310 32.500 -0.301 0.000 1.197 217 K HN 0.508 nan 8.250 nan 0.000 0.441 218 P HA 0.041 nan 4.420 nan 0.000 0.272 218 P C 0.675 177.861 177.300 -0.190 0.000 1.240 218 P CA -0.027 62.923 63.100 -0.250 0.000 0.791 218 P CB 0.219 31.829 31.700 -0.149 0.000 0.978 219 T N -2.267 112.207 114.554 -0.134 0.000 2.708 219 T HA -0.067 4.291 4.350 0.013 0.000 0.266 219 T C 0.741 175.384 174.700 -0.095 0.000 1.037 219 T CA 1.348 63.390 62.100 -0.097 0.000 1.146 219 T CB -1.250 67.581 68.868 -0.061 0.000 0.865 219 T HN 0.342 nan 8.240 nan 0.000 0.435 220 T N 3.429 117.930 114.554 -0.088 0.000 2.747 220 T HA 0.469 4.827 4.350 0.013 0.000 0.301 220 T C -0.235 174.404 174.700 -0.102 0.000 0.952 220 T CA -0.692 61.349 62.100 -0.099 0.000 0.983 220 T CB 0.528 69.354 68.868 -0.071 0.000 0.930 220 T HN 0.688 nan 8.240 nan 0.000 0.494 221 Q N 2.418 122.145 119.800 -0.122 0.000 2.626 221 Q HA 0.610 4.958 4.340 0.013 0.000 0.300 221 Q C -1.191 174.742 176.000 -0.111 0.000 0.988 221 Q CA -1.185 54.542 55.803 -0.128 0.000 0.761 221 Q CB 1.280 29.919 28.738 -0.164 0.000 1.494 221 Q HN 0.428 nan 8.270 nan 0.000 0.439 222 I N 2.621 123.107 120.570 -0.140 0.000 2.363 222 I HA 0.041 4.218 4.170 0.013 0.000 0.292 222 I C 0.572 176.605 176.117 -0.140 0.000 1.075 222 I CA 0.000 61.237 61.300 -0.105 0.000 1.333 222 I CB 1.014 38.906 38.000 -0.180 0.000 1.415 222 I HN 0.858 nan 8.210 nan 0.000 0.502 223 S N 2.742 118.464 115.700 0.036 0.000 2.502 223 S HA 0.209 4.687 4.470 0.013 0.000 0.215 223 S C 0.172 174.968 174.600 0.327 0.000 1.009 223 S CA -0.263 58.018 58.200 0.136 0.000 0.908 223 S CB 0.318 63.550 63.200 0.052 0.000 0.801 223 S HN 0.703 nan 8.310 nan 0.000 0.505 224 D N -0.339 120.257 120.400 0.327 0.000 2.742 224 D HA 0.533 5.181 4.640 0.013 0.000 0.262 224 D C -1.950 174.574 176.300 0.374 0.000 1.240 224 D CA -0.771 53.455 54.000 0.378 0.000 0.752 224 D CB 1.415 42.330 40.800 0.192 0.000 1.290 224 D HN 0.202 nan 8.370 nan 0.000 0.420 225 F N -0.860 119.183 119.950 0.156 0.000 2.650 225 F HA 0.624 5.159 4.527 0.013 0.000 0.310 225 F C -1.534 174.377 175.800 0.184 0.000 1.112 225 F CA -0.805 57.219 58.000 0.040 0.000 0.986 225 F CB 1.298 40.350 39.000 0.088 0.000 1.285 225 F HN 0.263 nan 8.300 nan 0.000 0.440 226 H N 1.700 120.890 119.070 0.200 0.000 2.589 226 H HA 0.743 5.307 4.556 0.013 0.000 0.351 226 H C -1.364 174.027 175.328 0.106 0.000 1.074 226 H CA -1.516 54.566 56.048 0.057 0.000 1.203 226 H CB 2.685 32.450 29.762 0.005 0.000 1.558 226 H HN 0.602 nan 8.280 nan 0.000 0.522 227 V N 2.295 122.323 119.914 0.189 0.000 2.448 227 V HA 0.631 4.759 4.120 0.013 0.000 0.295 227 V C -0.252 175.847 176.094 0.008 0.000 1.025 227 V CA -0.585 61.771 62.300 0.094 0.000 0.859 227 V CB 1.258 33.129 31.823 0.079 0.000 0.988 227 V HN 0.923 nan 8.190 nan 0.000 0.431 228 A N 3.301 126.107 122.820 -0.023 0.000 2.365 228 A HA 0.918 5.246 4.320 0.013 0.000 0.318 228 A C -0.065 177.443 177.584 -0.127 0.000 1.091 228 A CA -0.511 51.494 52.037 -0.054 0.000 0.763 228 A CB 1.808 20.797 19.000 -0.019 0.000 1.248 228 A HN 0.934 nan 8.150 nan 0.000 0.442 229 T N 0.268 114.732 114.554 -0.150 0.000 2.864 229 T HA 0.684 5.041 4.350 0.013 0.000 0.299 229 T C -0.390 174.121 174.700 -0.316 0.000 1.011 229 T CA -0.646 61.286 62.100 -0.281 0.000 0.975 229 T CB 0.617 69.235 68.868 -0.416 0.000 0.962 229 T HN 0.674 nan 8.240 nan 0.000 0.448 230 R N 2.025 122.299 120.500 -0.377 0.000 2.720 230 R HA 0.850 5.198 4.340 0.013 0.000 0.272 230 R C -0.954 175.014 176.300 -0.555 0.000 0.991 230 R CA -0.680 55.263 56.100 -0.261 0.000 1.010 230 R CB 1.133 31.374 30.300 -0.098 0.000 1.141 230 R HN 0.550 nan 8.270 nan 0.000 0.494 231 F N -0.289 119.658 119.950 -0.005 0.000 2.640 231 F HA 0.366 4.900 4.527 0.012 0.000 0.324 231 F C 0.314 175.988 175.800 -0.210 0.000 1.077 231 F CA -1.227 56.715 58.000 -0.097 0.000 0.965 231 F CB 0.852 39.721 39.000 -0.218 0.000 1.351 231 F HN 0.531 nan 8.300 nan 0.000 0.487 232 N N 0.025 118.725 118.700 0.000 0.000 2.405 232 N HA 0.070 4.818 4.740 0.013 0.000 0.269 232 N C 0.520 175.886 175.510 -0.241 0.000 1.249 232 N CA -0.091 52.906 53.050 -0.090 0.000 0.974 232 N CB 0.196 38.660 38.487 -0.039 0.000 1.204 232 N HN 0.690 nan 8.380 nan 0.000 0.565 233 D N -0.929 119.382 120.400 -0.150 0.000 2.158 233 D HA -0.263 4.385 4.640 0.013 0.000 0.197 233 D C 0.374 176.564 176.300 -0.183 0.000 0.995 233 D CA 1.786 55.692 54.000 -0.156 0.000 0.846 233 D CB -0.538 40.229 40.800 -0.055 0.000 0.941 233 D HN 0.751 nan 8.370 nan 0.000 0.456 234 D N -1.841 118.500 120.400 -0.098 0.000 2.440 234 D HA 0.025 4.673 4.640 0.013 0.000 0.216 234 D C 0.188 176.613 176.300 0.208 0.000 1.150 234 D CA -0.838 53.208 54.000 0.076 0.000 0.832 234 D CB -0.955 39.910 40.800 0.107 0.000 0.992 234 D HN 0.225 nan 8.370 nan 0.000 0.502 235 F N 0.168 120.174 119.950 0.094 0.000 2.953 235 F HA -0.295 4.239 4.527 0.011 0.000 0.292 235 F C 1.603 177.484 175.800 0.135 0.000 0.747 235 F CA 0.832 58.898 58.000 0.110 0.000 1.222 235 F CB -2.521 36.439 39.000 -0.067 0.000 1.457 235 F HN 0.179 nan 8.300 nan 0.000 0.383 236 S N -1.289 114.523 115.700 0.187 0.000 2.528 236 S HA 0.252 4.730 4.470 0.013 0.000 0.219 236 S C 0.661 175.320 174.600 0.099 0.000 0.985 236 S CA 0.024 58.304 58.200 0.133 0.000 0.914 236 S CB 0.332 63.583 63.200 0.085 0.000 0.776 236 S HN 0.463 nan 8.310 nan 0.000 0.526 237 R N 0.410 120.973 120.500 0.106 0.000 2.686 237 R HA 0.813 5.161 4.340 0.013 0.000 0.283 237 R C -1.257 175.084 176.300 0.068 0.000 0.978 237 R CA -0.353 55.776 56.100 0.047 0.000 0.897 237 R CB 2.187 32.488 30.300 0.003 0.000 1.192 237 R HN 0.242 nan 8.270 nan 0.000 0.457 238 A N 1.691 124.485 122.820 -0.044 0.000 2.498 238 A HA 0.698 5.026 4.320 0.013 0.000 0.298 238 A C -1.267 176.224 177.584 -0.156 0.000 1.075 238 A CA -0.681 51.227 52.037 -0.214 0.000 0.714 238 A CB 1.997 20.818 19.000 -0.299 0.000 1.299 238 A HN 0.369 nan 8.150 nan 0.000 0.407 239 V N 2.228 122.022 119.914 -0.200 0.000 2.378 239 V HA 0.399 4.527 4.120 0.013 0.000 0.288 239 V C -0.364 175.663 176.094 -0.112 0.000 1.016 239 V CA -0.356 61.873 62.300 -0.117 0.000 0.840 239 V CB 1.322 33.085 31.823 -0.101 0.000 0.994 239 V HN 0.792 nan 8.190 nan 0.000 0.431 240 L N 4.951 126.150 121.223 -0.042 0.000 2.264 240 L HA 0.615 4.962 4.340 0.013 0.000 0.289 240 L C -0.021 176.815 176.870 -0.056 0.000 1.044 240 L CA -0.033 54.772 54.840 -0.058 0.000 0.807 240 L CB 1.029 43.081 42.059 -0.011 0.000 1.192 240 L HN 0.792 nan 8.230 nan 0.000 0.425 241 E N 4.679 124.843 120.200 -0.060 0.000 2.191 241 E HA 0.624 4.982 4.350 0.013 0.000 0.263 241 E C -1.455 175.140 176.600 -0.009 0.000 0.881 241 E CA -0.739 55.640 56.400 -0.035 0.000 0.757 241 E CB 1.755 31.434 29.700 -0.035 0.000 1.147 241 E HN 0.726 nan 8.360 nan 0.000 0.414 242 A N 4.694 127.513 122.820 -0.002 0.000 2.311 242 A HA 0.299 4.627 4.320 0.013 0.000 0.306 242 A C -0.565 177.024 177.584 0.007 0.000 1.189 242 A CA -0.682 51.376 52.037 0.034 0.000 0.791 242 A CB 1.028 20.052 19.000 0.040 0.000 1.172 242 A HN 0.755 nan 8.150 nan 0.000 0.481 243 E N 2.516 122.719 120.200 0.004 0.000 2.259 243 E HA 0.497 4.854 4.350 0.013 0.000 0.281 243 E C -1.210 175.342 176.600 -0.080 0.000 1.027 243 E CA -0.321 56.037 56.400 -0.070 0.000 0.838 243 E CB 0.976 30.591 29.700 -0.142 0.000 1.066 243 E HN 0.374 nan 8.360 nan 0.000 0.401 244 V N 4.983 124.870 119.914 -0.045 0.000 2.448 244 V HA 0.259 4.387 4.120 0.013 0.000 0.295 244 V C -0.333 175.818 176.094 0.096 0.000 1.025 244 V CA -0.807 61.511 62.300 0.029 0.000 0.859 244 V CB 1.537 33.365 31.823 0.008 0.000 0.988 244 V HN 0.745 nan 8.190 nan 0.000 0.431 245 Q N 4.147 123.998 119.800 0.085 0.000 2.266 245 Q HA 0.811 5.158 4.340 0.013 0.000 0.261 245 Q C -0.686 175.369 176.000 0.092 0.000 0.985 245 Q CA -0.820 55.032 55.803 0.081 0.000 0.873 245 Q CB 2.540 31.267 28.738 -0.019 0.000 1.306 245 Q HN 0.830 nan 8.270 nan 0.000 0.447 246 M N -0.900 118.675 119.600 -0.042 0.000 2.761 246 M HA 0.744 5.232 4.480 0.013 0.000 0.305 246 M C -1.254 174.945 176.300 -0.169 0.000 1.235 246 M CA -0.504 54.695 55.300 -0.169 0.000 0.850 246 M CB 1.518 33.826 32.600 -0.487 0.000 1.744 246 M HN 0.477 nan 8.290 nan 0.000 0.480 247 C N 0.638 119.849 119.300 -0.148 0.000 2.707 247 C HA 1.026 5.494 4.460 0.013 0.000 0.313 247 C C 0.601 175.509 174.990 -0.137 0.000 1.209 247 C CA 0.492 59.441 59.018 -0.117 0.000 1.635 247 C CB 0.951 28.649 27.740 -0.069 0.000 2.206 247 C HN 1.402 nan 8.230 nan 0.000 0.485 248 G N 1.702 110.433 108.800 -0.115 0.000 2.549 248 G HA2 -0.006 3.962 3.960 0.013 0.000 0.404 248 G HA3 -0.006 3.962 3.960 0.013 0.000 0.404 248 G C -0.941 173.882 174.900 -0.128 0.000 1.292 248 G CA -0.348 44.687 45.100 -0.109 0.000 0.935 248 G HN 0.986 nan 8.290 nan 0.000 0.512 249 E N -0.292 119.840 120.200 -0.113 0.000 2.259 249 E HA 0.476 4.834 4.350 0.013 0.000 0.281 249 E C 0.492 176.988 176.600 -0.174 0.000 1.037 249 E CA -0.605 55.724 56.400 -0.119 0.000 0.854 249 E CB 0.365 30.018 29.700 -0.077 0.000 1.051 249 E HN 0.499 nan 8.360 nan 0.000 0.409 250 L N 5.202 126.311 121.223 -0.190 0.000 2.416 250 L HA 0.309 4.657 4.340 0.013 0.000 0.272 250 L C 0.471 177.202 176.870 -0.232 0.000 1.161 250 L CA -0.022 54.680 54.840 -0.229 0.000 0.845 250 L CB 0.435 42.381 42.059 -0.188 0.000 1.119 250 L HN 0.508 nan 8.230 nan 0.000 0.464 251 R N 1.713 122.015 120.500 -0.330 0.000 2.698 251 R HA 0.188 4.536 4.340 0.013 0.000 0.275 251 R C -0.257 175.767 176.300 -0.459 0.000 1.001 251 R CA -0.802 55.007 56.100 -0.484 0.000 0.896 251 R CB 1.741 31.456 30.300 -0.975 0.000 1.218 251 R HN 0.533 nan 8.270 nan 0.000 0.462 252 D N 1.095 121.318 120.400 -0.294 0.000 2.265 252 D HA -0.159 4.489 4.640 0.013 0.000 0.208 252 D C 1.482 177.727 176.300 -0.092 0.000 0.977 252 D CA 1.641 55.561 54.000 -0.134 0.000 0.871 252 D CB 0.080 40.863 40.800 -0.029 0.000 0.925 252 D HN 0.581 nan 8.370 nan 0.000 0.485 253 Y N -0.131 120.178 120.300 0.014 0.000 2.529 253 Y HA 0.281 4.839 4.550 0.013 0.000 0.290 253 Y C 0.708 176.606 175.900 -0.003 0.000 1.177 253 Y CA -0.526 57.579 58.100 0.008 0.000 1.305 253 Y CB -0.919 37.547 38.460 0.010 0.000 1.047 253 Y HN -0.201 nan 8.280 nan 0.000 0.522 254 L N 2.753 123.930 121.223 -0.077 0.000 2.417 254 L HA 0.356 4.703 4.340 0.013 0.000 0.268 254 L C 0.225 177.086 176.870 -0.015 0.000 1.158 254 L CA -0.188 54.675 54.840 0.038 0.000 0.819 254 L CB 0.511 42.601 42.059 0.052 0.000 1.112 254 L HN 0.137 nan 8.230 nan 0.000 0.458 255 R N 1.888 122.271 120.500 -0.195 0.000 2.799 255 R HA 0.694 5.042 4.340 0.013 0.000 0.270 255 R C -1.495 174.457 176.300 -0.579 0.000 1.010 255 R CA -0.861 54.982 56.100 -0.428 0.000 0.916 255 R CB 2.143 32.122 30.300 -0.535 0.000 1.228 255 R HN 0.269 nan 8.270 nan 0.000 0.469 256 V N 0.935 120.547 119.914 -0.502 0.000 2.487 256 V HA 0.456 4.584 4.120 0.013 0.000 0.298 256 V C -0.246 175.793 176.094 -0.092 0.000 1.028 256 V CA -0.527 61.578 62.300 -0.325 0.000 0.860 256 V CB 2.150 33.709 31.823 -0.440 0.000 0.991 256 V HN 0.702 nan 8.190 nan 0.000 0.427 257 T N 4.135 118.752 114.554 0.104 0.000 2.829 257 T HA 0.645 5.003 4.350 0.013 0.000 0.280 257 T C -0.706 174.001 174.700 0.011 0.000 0.999 257 T CA -0.324 61.834 62.100 0.098 0.000 0.983 257 T CB 1.726 70.674 68.868 0.133 0.000 0.968 257 T HN 0.348 nan 8.240 nan 0.000 0.446 258 V N 3.275 123.177 119.914 -0.020 0.000 2.487 258 V HA 0.588 4.716 4.120 0.013 0.000 0.298 258 V C -0.313 175.774 176.094 -0.012 0.000 1.028 258 V CA -0.647 61.636 62.300 -0.027 0.000 0.860 258 V CB 2.029 33.824 31.823 -0.046 0.000 0.991 258 V HN 0.962 nan 8.190 nan 0.000 0.427 259 S N 5.007 120.727 115.700 0.033 0.000 2.500 259 S HA 0.739 5.217 4.470 0.013 0.000 0.301 259 S C -0.875 173.763 174.600 0.063 0.000 1.092 259 S CA -0.499 57.707 58.200 0.010 0.000 1.030 259 S CB 1.872 65.123 63.200 0.085 0.000 1.031 259 S HN 0.543 nan 8.310 nan 0.000 0.483 260 L N 3.017 124.171 121.223 -0.115 0.000 2.313 260 L HA 0.704 5.052 4.340 0.013 0.000 0.283 260 L C -1.941 174.834 176.870 -0.159 0.000 1.013 260 L CA -0.171 54.671 54.840 0.004 0.000 0.816 260 L CB 0.541 42.611 42.059 0.020 0.000 1.236 260 L HN 0.725 nan 8.230 nan 0.000 0.419 261 W N 3.752 125.156 121.300 0.174 0.000 2.736 261 W HA 0.562 5.229 4.660 0.013 0.000 0.335 261 W C -0.462 176.199 176.519 0.236 0.000 1.059 261 W CA -0.461 56.981 57.345 0.161 0.000 1.226 261 W CB 1.401 30.902 29.460 0.068 0.000 1.416 261 W HN 0.391 nan 8.180 nan 0.000 0.505 262 Q N 2.713 122.728 119.800 0.359 0.000 2.456 262 Q HA 0.470 4.818 4.340 0.013 0.000 0.252 262 Q C 0.764 176.830 176.000 0.109 0.000 1.042 262 Q CA 0.502 56.368 55.803 0.105 0.000 0.766 262 Q CB 0.527 29.295 28.738 0.049 0.000 1.196 262 Q HN 0.789 nan 8.270 nan 0.000 0.504 263 G N 2.925 111.776 108.800 0.085 0.000 2.583 263 G HA2 -0.364 3.603 3.960 0.013 0.000 0.292 263 G HA3 -0.364 3.603 3.960 0.013 0.000 0.292 263 G C 0.216 175.207 174.900 0.152 0.000 1.203 263 G CA 0.366 45.508 45.100 0.071 0.000 0.987 263 G HN 0.733 nan 8.290 nan 0.000 0.554 264 E N 0.749 121.028 120.200 0.132 0.000 2.445 264 E HA 0.220 4.578 4.350 0.013 0.000 0.189 264 E C 0.180 176.998 176.600 0.364 0.000 1.069 264 E CA 0.661 57.169 56.400 0.180 0.000 0.871 264 E CB 0.175 29.920 29.700 0.074 0.000 0.991 264 E HN 0.332 nan 8.360 nan 0.000 0.481 265 T N 1.464 116.220 114.554 0.337 0.000 2.779 265 T HA 0.114 4.471 4.350 0.013 0.000 0.280 265 T C -0.370 174.370 174.700 0.066 0.000 0.987 265 T CA -0.614 61.613 62.100 0.212 0.000 0.966 265 T CB 1.997 70.922 68.868 0.095 0.000 0.933 265 T HN 0.032 nan 8.240 nan 0.000 0.442 266 Q N 3.034 122.604 119.800 -0.382 0.000 2.323 266 Q HA 0.255 4.603 4.340 0.013 0.000 0.257 266 Q C 0.952 176.692 176.000 -0.433 0.000 1.022 266 Q CA -0.438 54.803 55.803 -0.936 0.000 0.919 266 Q CB 0.662 28.441 28.738 -1.599 0.000 1.220 266 Q HN 0.716 nan 8.270 nan 0.000 0.427 267 V N 1.126 120.860 119.914 -0.301 0.000 3.354 267 V HA 0.553 4.681 4.120 0.013 0.000 0.258 267 V C 0.344 176.335 176.094 -0.173 0.000 1.159 267 V CA 0.756 62.965 62.300 -0.151 0.000 1.125 267 V CB -0.226 31.586 31.823 -0.020 0.000 0.774 267 V HN 0.665 nan 8.190 nan 0.000 0.464 268 A N -0.956 121.725 122.820 -0.232 0.000 2.583 268 A HA 0.778 5.106 4.320 0.013 0.000 0.292 268 A C -0.662 176.814 177.584 -0.179 0.000 1.045 268 A CA 0.279 52.215 52.037 -0.169 0.000 0.672 268 A CB 1.194 20.122 19.000 -0.120 0.000 1.283 268 A HN 0.866 nan 8.150 nan 0.000 0.419 269 S N -0.961 114.662 115.700 -0.128 0.000 2.567 269 S HA 0.813 5.291 4.470 0.013 0.000 0.270 269 S C -0.653 173.905 174.600 -0.071 0.000 1.152 269 S CA 0.245 58.383 58.200 -0.105 0.000 0.835 269 S CB 1.617 64.744 63.200 -0.123 0.000 1.115 269 S HN 2.445 nan 8.310 nan 0.000 0.459 270 G N 1.465 110.233 108.800 -0.054 0.000 2.731 270 G HA2 0.627 4.595 3.960 0.013 0.000 0.298 270 G HA3 0.627 4.595 3.960 0.013 0.000 0.298 270 G C -1.378 173.502 174.900 -0.032 0.000 1.424 270 G CA -0.378 44.695 45.100 -0.045 0.000 1.029 270 G HN 0.718 nan 8.290 nan 0.000 0.518 271 T N -0.045 114.494 114.554 -0.026 0.000 2.900 271 T HA 0.879 5.237 4.350 0.013 0.000 0.295 271 T C -0.270 174.400 174.700 -0.050 0.000 1.044 271 T CA -0.015 62.079 62.100 -0.009 0.000 0.995 271 T CB 1.863 70.760 68.868 0.049 0.000 1.072 271 T HN 1.608 nan 8.240 nan 0.000 0.473 272 A N 3.213 125.973 122.820 -0.101 0.000 2.608 272 A HA 0.884 5.212 4.320 0.013 0.000 0.292 272 A C -3.122 174.342 177.584 -0.200 0.000 1.066 272 A CA -1.486 50.477 52.037 -0.124 0.000 0.676 272 A CB 1.075 19.999 19.000 -0.127 0.000 1.277 272 A HN 0.536 nan 8.150 nan 0.000 0.413 273 P HA 0.538 nan 4.420 nan 0.000 0.276 273 P C -0.532 176.655 177.300 -0.188 0.000 1.261 273 P CA -0.262 62.753 63.100 -0.142 0.000 0.800 273 P CB 0.347 32.020 31.700 -0.045 0.000 1.066 274 F N -0.329 119.578 119.950 -0.071 0.000 2.444 274 F HA 0.475 5.010 4.527 0.013 0.000 0.331 274 F C 1.422 177.201 175.800 -0.035 0.000 1.167 274 F CA 1.478 59.445 58.000 -0.055 0.000 1.262 274 F CB 0.351 39.312 39.000 -0.065 0.000 1.196 274 F HN 0.580 nan 8.300 nan 0.000 0.583 275 G N 1.590 110.508 108.800 0.196 0.000 2.594 275 G HA2 0.318 4.286 3.960 0.013 0.000 0.422 275 G HA3 0.318 4.286 3.960 0.013 0.000 0.422 275 G C -0.446 174.500 174.900 0.076 0.000 1.190 275 G CA -0.717 44.452 45.100 0.114 0.000 1.234 275 G HN 1.048 nan 8.290 nan 0.000 0.584 276 G N 0.822 109.686 108.800 0.107 0.000 2.588 276 G HA2 0.649 4.617 3.960 0.013 0.000 0.281 276 G HA3 0.649 4.617 3.960 0.013 0.000 0.281 276 G C 0.461 175.398 174.900 0.061 0.000 1.236 276 G CA -0.307 44.846 45.100 0.087 0.000 0.969 276 G HN 0.829 nan 8.290 nan 0.000 0.504 277 E N -0.326 119.904 120.200 0.051 0.000 2.459 277 E HA -0.053 4.305 4.350 0.013 0.000 0.264 277 E C 0.339 176.956 176.600 0.028 0.000 1.055 277 E CA 0.023 56.442 56.400 0.032 0.000 0.957 277 E CB 0.820 30.539 29.700 0.032 0.000 0.952 277 E HN 0.289 nan 8.360 nan 0.000 0.448 278 I N 2.210 122.785 120.570 0.008 0.000 2.710 278 I HA -0.120 4.058 4.170 0.013 0.000 0.286 278 I C 1.579 177.693 176.117 -0.004 0.000 1.181 278 I CA 0.400 61.695 61.300 -0.008 0.000 1.430 278 I CB 0.265 38.258 38.000 -0.012 0.000 1.367 278 I HN 0.585 nan 8.210 nan 0.000 0.577 279 I N 1.799 122.355 120.570 -0.024 0.000 4.032 279 I HA 0.283 4.460 4.170 0.013 0.000 0.313 279 I C -0.179 175.926 176.117 -0.022 0.000 1.272 279 I CA 0.109 61.404 61.300 -0.010 0.000 1.307 279 I CB 0.522 38.536 38.000 0.023 0.000 1.155 279 I HN 0.613 nan 8.210 nan 0.000 0.431 280 D N -0.521 119.854 120.400 -0.042 0.000 2.970 280 D HA 0.144 4.792 4.640 0.013 0.000 0.344 280 D C 0.281 176.558 176.300 -0.038 0.000 1.365 280 D CA -0.467 53.514 54.000 -0.033 0.000 0.910 280 D CB 0.363 41.143 40.800 -0.034 0.000 1.445 280 D HN -0.117 nan 8.370 nan 0.000 0.532 281 E N -0.840 119.341 120.200 -0.031 0.000 2.273 281 E HA -0.103 4.255 4.350 0.013 0.000 0.198 281 E C 1.224 177.801 176.600 -0.038 0.000 1.002 281 E CA 1.126 57.508 56.400 -0.030 0.000 0.828 281 E CB -0.106 29.581 29.700 -0.022 0.000 0.747 281 E HN 0.224 nan 8.360 nan 0.000 0.491 282 R N -0.217 120.251 120.500 -0.053 0.000 2.359 282 R HA 0.308 4.655 4.340 0.013 0.000 0.231 282 R C 0.788 177.041 176.300 -0.078 0.000 0.913 282 R CA 0.645 56.708 56.100 -0.062 0.000 1.075 282 R CB 0.536 30.794 30.300 -0.069 0.000 1.087 282 R HN 0.224 nan 8.270 nan 0.000 0.515 283 G N -0.491 108.263 108.800 -0.077 0.000 2.501 283 G HA2 -0.165 3.803 3.960 0.013 0.000 0.213 283 G HA3 -0.165 3.803 3.960 0.013 0.000 0.213 283 G C -0.103 174.731 174.900 -0.109 0.000 1.158 283 G CA -0.586 44.467 45.100 -0.078 0.000 1.079 283 G HN 0.482 nan 8.290 nan 0.000 0.586 284 G N -1.954 106.775 108.800 -0.119 0.000 3.176 284 G HA2 0.643 4.611 3.960 0.013 0.000 0.272 284 G HA3 0.643 4.611 3.960 0.013 0.000 0.272 284 G C -1.554 173.215 174.900 -0.217 0.000 1.349 284 G CA -0.694 44.327 45.100 -0.132 0.000 0.953 284 G HN 0.779 nan 8.290 nan 0.000 0.559 285 Y N 0.905 121.212 120.300 0.012 0.000 2.477 285 Y HA 0.440 4.997 4.550 0.012 0.000 0.349 285 Y C 1.355 177.270 175.900 0.025 0.000 0.977 285 Y CA 0.019 58.128 58.100 0.015 0.000 1.214 285 Y CB 1.797 40.270 38.460 0.022 0.000 1.124 285 Y HN 0.526 nan 8.280 nan 0.000 0.521 286 A N 1.720 124.604 122.820 0.106 0.000 2.167 286 A HA -0.106 4.222 4.320 0.013 0.000 0.214 286 A C 1.349 178.987 177.584 0.089 0.000 1.151 286 A CA 1.166 53.251 52.037 0.080 0.000 0.735 286 A CB -0.231 18.779 19.000 0.016 0.000 0.802 286 A HN 0.792 nan 8.150 nan 0.000 0.467 287 D N -0.685 119.764 120.400 0.080 0.000 2.388 287 D HA 0.113 4.761 4.640 0.013 0.000 0.221 287 D C 0.453 176.803 176.300 0.085 0.000 1.133 287 D CA -0.082 53.874 54.000 -0.073 0.000 0.831 287 D CB 0.018 40.768 40.800 -0.083 0.000 0.962 287 D HN 0.415 nan 8.370 nan 0.000 0.502 288 R N -0.781 119.894 120.500 0.292 0.000 2.836 288 R HA 0.769 5.117 4.340 0.013 0.000 0.269 288 R C -1.467 174.994 176.300 0.269 0.000 1.010 288 R CA -1.178 55.094 56.100 0.287 0.000 0.930 288 R CB 2.972 33.317 30.300 0.075 0.000 1.218 288 R HN -0.030 nan 8.270 nan 0.000 0.473 289 V N 0.049 120.014 119.914 0.085 0.000 3.077 289 V HA 0.488 4.616 4.120 0.013 0.000 0.299 289 V C -1.647 174.407 176.094 -0.067 0.000 1.276 289 V CA -0.295 61.975 62.300 -0.050 0.000 0.993 289 V CB 2.804 34.472 31.823 -0.258 0.000 1.076 289 V HN 0.829 nan 8.190 nan 0.000 0.434 290 T N 7.095 121.614 114.554 -0.058 0.000 2.812 290 T HA 0.608 4.965 4.350 0.013 0.000 0.282 290 T C -0.938 173.726 174.700 -0.060 0.000 0.990 290 T CA -0.413 61.657 62.100 -0.050 0.000 0.960 290 T CB 1.117 69.969 68.868 -0.026 0.000 0.948 290 T HN 0.482 nan 8.240 nan 0.000 0.438 291 L N 3.400 124.586 121.223 -0.062 0.000 2.334 291 L HA 0.595 4.943 4.340 0.013 0.000 0.275 291 L C 0.484 177.327 176.870 -0.045 0.000 1.036 291 L CA -0.499 54.305 54.840 -0.061 0.000 0.807 291 L CB 1.298 43.318 42.059 -0.065 0.000 1.231 291 L HN 0.552 nan 8.230 nan 0.000 0.438 292 R N 3.020 123.494 120.500 -0.044 0.000 2.476 292 R HA 0.628 4.975 4.340 0.013 0.000 0.305 292 R C -1.409 174.865 176.300 -0.044 0.000 0.965 292 R CA -0.926 55.149 56.100 -0.042 0.000 0.867 292 R CB 2.032 32.308 30.300 -0.039 0.000 1.176 292 R HN 0.247 nan 8.270 nan 0.000 0.447 293 L N 2.856 124.053 121.223 -0.043 0.000 2.333 293 L HA 0.348 4.696 4.340 0.013 0.000 0.280 293 L C -0.366 176.475 176.870 -0.049 0.000 1.004 293 L CA -0.503 54.310 54.840 -0.046 0.000 0.820 293 L CB 1.764 43.799 42.059 -0.039 0.000 1.247 293 L HN 0.500 nan 8.230 nan 0.000 0.416 294 N N 1.735 120.400 118.700 -0.058 0.000 2.514 294 N HA 0.526 5.273 4.740 0.013 0.000 0.277 294 N C -1.143 174.316 175.510 -0.085 0.000 1.126 294 N CA -0.314 52.697 53.050 -0.065 0.000 0.978 294 N CB 1.300 39.752 38.487 -0.058 0.000 1.106 294 N HN 0.230 nan 8.380 nan 0.000 0.461 295 V N 1.640 121.488 119.914 -0.110 0.000 2.447 295 V HA 0.239 4.367 4.120 0.013 0.000 0.292 295 V C -0.423 175.576 176.094 -0.157 0.000 1.021 295 V CA -0.916 61.276 62.300 -0.181 0.000 0.850 295 V CB 1.356 32.979 31.823 -0.334 0.000 1.005 295 V HN 0.562 nan 8.190 nan 0.000 0.426 296 E N 2.846 122.979 120.200 -0.112 0.000 2.313 296 E HA 0.254 4.612 4.350 0.013 0.000 0.276 296 E C 0.312 176.879 176.600 -0.055 0.000 1.031 296 E CA -0.286 56.076 56.400 -0.064 0.000 0.857 296 E CB 0.415 30.090 29.700 -0.041 0.000 1.040 296 E HN 0.733 nan 8.360 nan 0.000 0.408 297 N N 1.338 120.032 118.700 -0.011 0.000 2.686 297 N HA -0.155 4.593 4.740 0.013 0.000 0.261 297 N C -2.470 173.042 175.510 0.003 0.000 1.001 297 N CA 0.252 53.315 53.050 0.021 0.000 0.764 297 N CB -0.901 37.602 38.487 0.025 0.000 0.898 297 N HN 0.332 nan 8.380 nan 0.000 0.544 298 P HA 0.049 nan 4.420 nan 0.000 0.274 298 P C -0.481 176.860 177.300 0.069 0.000 1.237 298 P CA 0.030 63.054 63.100 -0.127 0.000 0.793 298 P CB 0.784 32.146 31.700 -0.564 0.000 0.977 299 K N 2.135 122.664 120.400 0.216 0.000 2.338 299 K HA 0.255 4.583 4.320 0.013 0.000 0.290 299 K C 0.135 176.924 176.600 0.315 0.000 1.069 299 K CA -0.237 56.179 56.287 0.216 0.000 0.941 299 K CB 0.012 32.596 32.500 0.141 0.000 1.023 299 K HN 0.433 nan 8.250 nan 0.000 0.477 300 L N 2.895 124.224 121.223 0.177 0.000 2.371 300 L HA 0.275 4.623 4.340 0.013 0.000 0.272 300 L C 0.064 177.009 176.870 0.125 0.000 1.124 300 L CA -0.804 54.128 54.840 0.154 0.000 0.816 300 L CB 0.385 42.373 42.059 -0.118 0.000 1.129 300 L HN 0.596 nan 8.230 nan 0.000 0.448 301 W N 3.843 125.158 121.300 0.026 0.000 2.376 301 W HA 0.480 5.147 4.660 0.011 0.000 0.322 301 W C 0.024 176.470 176.519 -0.121 0.000 1.160 301 W CA 0.099 57.443 57.345 -0.002 0.000 1.218 301 W CB 1.350 30.864 29.460 0.089 0.000 1.205 301 W HN 0.623 nan 8.180 nan 0.000 0.559 302 S N 2.981 118.127 115.700 -0.923 0.000 2.615 302 S HA 0.614 5.092 4.470 0.013 0.000 0.269 302 S C 0.100 173.910 174.600 -1.316 0.000 1.161 302 S CA -0.365 57.321 58.200 -0.856 0.000 0.817 302 S CB 1.077 63.988 63.200 -0.481 0.000 1.131 302 S HN 1.057 nan 8.310 nan 0.000 0.467 303 A N 0.624 122.827 122.820 -1.028 0.000 2.015 303 A HA 0.030 4.357 4.320 0.013 0.000 0.219 303 A C 1.811 179.048 177.584 -0.579 0.000 1.163 303 A CA 1.606 53.072 52.037 -0.952 0.000 0.646 303 A CB -0.999 17.302 19.000 -1.165 0.000 0.806 303 A HN 0.883 nan 8.150 nan 0.000 0.448 304 E N -0.709 119.279 120.200 -0.353 0.000 2.047 304 E HA -0.017 4.341 4.350 0.013 0.000 0.191 304 E C -0.093 176.350 176.600 -0.261 0.000 0.987 304 E CA 0.828 57.094 56.400 -0.223 0.000 0.799 304 E CB -0.039 29.682 29.700 0.034 0.000 0.752 304 E HN 0.601 nan 8.360 nan 0.000 0.449 305 I N 1.704 122.094 120.570 -0.300 0.000 2.641 305 I HA 0.158 4.336 4.170 0.013 0.000 0.275 305 I C -2.469 173.408 176.117 -0.401 0.000 1.129 305 I CA -1.760 59.388 61.300 -0.254 0.000 1.094 305 I CB 1.744 39.655 38.000 -0.149 0.000 1.232 305 I HN -0.199 nan 8.210 nan 0.000 0.503 306 P HA 0.046 nan 4.420 nan 0.000 0.231 306 P C -0.462 176.764 177.300 -0.123 0.000 1.756 306 P CA -0.094 62.628 63.100 -0.631 0.000 0.990 306 P CB -0.305 31.170 31.700 -0.375 0.000 1.973 307 N N 1.832 120.509 118.700 -0.038 0.000 2.458 307 N HA 0.150 4.898 4.740 0.013 0.000 0.258 307 N C 0.131 175.851 175.510 0.350 0.000 1.219 307 N CA 0.370 53.491 53.050 0.117 0.000 0.902 307 N CB 0.748 39.298 38.487 0.105 0.000 1.076 307 N HN 0.307 nan 8.380 nan 0.000 0.455 308 L N 2.115 123.465 121.223 0.211 0.000 2.388 308 L HA 0.467 4.815 4.340 0.013 0.000 0.264 308 L C -0.829 176.109 176.870 0.114 0.000 0.998 308 L CA -0.834 54.171 54.840 0.275 0.000 0.817 308 L CB 1.344 43.542 42.059 0.233 0.000 1.338 308 L HN 0.397 nan 8.230 nan 0.000 0.414 309 Y N 0.328 120.779 120.300 0.250 0.000 2.631 309 Y HA 0.655 5.213 4.550 0.013 0.000 0.328 309 Y C -0.142 175.877 175.900 0.200 0.000 1.118 309 Y CA -0.737 57.511 58.100 0.247 0.000 1.206 309 Y CB 1.748 40.419 38.460 0.352 0.000 1.337 309 Y HN 0.391 nan 8.280 nan 0.000 0.515 310 R N 1.024 121.761 120.500 0.394 0.000 2.437 310 R HA 0.774 5.122 4.340 0.013 0.000 0.310 310 R C -1.624 174.876 176.300 0.334 0.000 0.955 310 R CA -0.489 55.774 56.100 0.272 0.000 0.851 310 R CB 1.035 31.419 30.300 0.139 0.000 1.161 310 R HN 0.715 nan 8.270 nan 0.000 0.446 311 A N 4.048 126.999 122.820 0.218 0.000 2.271 311 A HA 0.580 4.907 4.320 0.013 0.000 0.317 311 A C -1.048 176.587 177.584 0.085 0.000 1.245 311 A CA -0.631 51.510 52.037 0.173 0.000 0.857 311 A CB 1.141 20.210 19.000 0.115 0.000 1.175 311 A HN 0.488 nan 8.150 nan 0.000 0.512 312 V N 3.708 123.680 119.914 0.097 0.000 2.384 312 V HA 0.331 4.459 4.120 0.013 0.000 0.287 312 V C -0.288 175.773 176.094 -0.055 0.000 1.020 312 V CA -0.502 61.790 62.300 -0.013 0.000 0.850 312 V CB 1.622 33.441 31.823 -0.006 0.000 0.987 312 V HN 0.605 nan 8.190 nan 0.000 0.436 313 V N 5.103 124.910 119.914 -0.179 0.000 2.318 313 V HA 0.378 4.506 4.120 0.013 0.000 0.271 313 V C 0.096 176.122 176.094 -0.114 0.000 1.030 313 V CA -0.517 61.652 62.300 -0.217 0.000 0.844 313 V CB 0.934 32.444 31.823 -0.523 0.000 1.015 313 V HN 0.909 nan 8.190 nan 0.000 0.460 314 E N 3.718 123.910 120.200 -0.014 0.000 2.191 314 E HA 0.508 4.866 4.350 0.013 0.000 0.278 314 E C -0.921 175.766 176.600 0.144 0.000 0.972 314 E CA -0.884 55.559 56.400 0.071 0.000 0.804 314 E CB 2.439 32.202 29.700 0.104 0.000 1.110 314 E HN 0.464 nan 8.360 nan 0.000 0.394 315 L N 4.593 125.883 121.223 0.112 0.000 2.262 315 L HA 0.359 4.707 4.340 0.013 0.000 0.288 315 L C -1.033 175.929 176.870 0.154 0.000 1.035 315 L CA 0.035 54.931 54.840 0.094 0.000 0.820 315 L CB -0.101 42.007 42.059 0.081 0.000 1.204 315 L HN 0.658 nan 8.230 nan 0.000 0.424 316 H N 0.569 119.678 119.070 0.066 0.000 2.943 316 H HA 0.835 5.398 4.556 0.013 0.000 0.323 316 H C -0.752 174.644 175.328 0.112 0.000 1.296 316 H CA -0.426 55.663 56.048 0.069 0.000 1.155 316 H CB 0.914 30.696 29.762 0.033 0.000 1.882 316 H HN 0.454 nan 8.280 nan 0.000 0.553 317 T N -2.076 112.612 114.554 0.224 0.000 2.928 317 T HA 0.545 4.902 4.350 0.013 0.000 0.284 317 T C 1.413 176.232 174.700 0.199 0.000 1.008 317 T CA -0.371 61.842 62.100 0.189 0.000 1.057 317 T CB 1.497 70.417 68.868 0.087 0.000 1.018 317 T HN 0.956 nan 8.240 nan 0.000 0.493 318 A N 1.354 124.266 122.820 0.153 0.000 1.948 318 A HA -0.123 4.205 4.320 0.013 0.000 0.220 318 A C 1.742 179.399 177.584 0.121 0.000 1.177 318 A CA 2.086 54.201 52.037 0.129 0.000 0.636 318 A CB -1.242 17.819 19.000 0.101 0.000 0.815 318 A HN 0.960 nan 8.150 nan 0.000 0.449 319 D N -1.982 118.467 120.400 0.082 0.000 2.378 319 D HA 0.317 4.965 4.640 0.013 0.000 0.227 319 D C 1.214 177.542 176.300 0.046 0.000 1.012 319 D CA 1.216 55.241 54.000 0.043 0.000 0.905 319 D CB 0.016 40.818 40.800 0.003 0.000 0.895 319 D HN 0.624 nan 8.370 nan 0.000 0.532 320 G N -0.431 108.427 108.800 0.096 0.000 2.163 320 G HA2 -0.225 3.743 3.960 0.013 0.000 0.213 320 G HA3 -0.225 3.743 3.960 0.013 0.000 0.213 320 G C 0.451 175.381 174.900 0.050 0.000 0.991 320 G CA -0.089 45.043 45.100 0.053 0.000 0.653 320 G HN 0.273 nan 8.290 nan 0.000 0.518 321 T N 1.425 116.025 114.554 0.077 0.000 2.806 321 T HA 0.554 4.912 4.350 0.013 0.000 0.290 321 T C 0.189 174.954 174.700 0.108 0.000 0.966 321 T CA -0.294 61.842 62.100 0.059 0.000 1.060 321 T CB 1.944 70.828 68.868 0.027 0.000 0.927 321 T HN 0.511 nan 8.240 nan 0.000 0.485 322 L N 4.355 125.625 121.223 0.078 0.000 2.367 322 L HA 0.358 4.706 4.340 0.013 0.000 0.275 322 L C 0.738 177.664 176.870 0.094 0.000 1.129 322 L CA 0.389 55.291 54.840 0.104 0.000 0.839 322 L CB 0.210 42.303 42.059 0.056 0.000 1.133 322 L HN 0.698 nan 8.230 nan 0.000 0.453 323 I N 2.573 123.208 120.570 0.108 0.000 2.556 323 I HA 0.114 4.292 4.170 0.013 0.000 0.251 323 I C 0.290 176.429 176.117 0.038 0.000 1.105 323 I CA 0.629 61.971 61.300 0.069 0.000 1.436 323 I CB 0.161 38.204 38.000 0.072 0.000 1.139 323 I HN 0.838 nan 8.210 nan 0.000 0.438 324 E N -0.353 119.871 120.200 0.040 0.000 2.417 324 E HA 0.709 5.067 4.350 0.013 0.000 0.280 324 E C -1.512 175.106 176.600 0.030 0.000 1.112 324 E CA -1.116 55.296 56.400 0.020 0.000 0.863 324 E CB 1.397 31.070 29.700 -0.046 0.000 1.346 324 E HN -0.044 nan 8.360 nan 0.000 0.443 325 A N 0.991 123.844 122.820 0.055 0.000 2.486 325 A HA 0.699 5.027 4.320 0.013 0.000 0.300 325 A C -1.093 176.566 177.584 0.126 0.000 1.048 325 A CA -0.762 51.313 52.037 0.062 0.000 0.696 325 A CB 1.737 20.782 19.000 0.076 0.000 1.278 325 A HN 0.500 nan 8.150 nan 0.000 0.405 326 E N -0.294 119.915 120.200 0.016 0.000 2.316 326 E HA 0.853 5.210 4.350 0.013 0.000 0.258 326 E C -0.427 176.230 176.600 0.095 0.000 0.952 326 E CA -0.545 55.927 56.400 0.120 0.000 0.818 326 E CB 2.361 32.070 29.700 0.016 0.000 1.260 326 E HN 1.216 nan 8.360 nan 0.000 0.416 327 A N -0.151 122.867 122.820 0.331 0.000 2.601 327 A HA 0.684 5.011 4.320 0.013 0.000 0.291 327 A C -1.135 176.680 177.584 0.386 0.000 1.075 327 A CA -0.429 51.719 52.037 0.186 0.000 0.671 327 A CB 0.823 19.818 19.000 -0.009 0.000 1.277 327 A HN 0.826 nan 8.150 nan 0.000 0.417 328 C N -0.369 119.093 119.300 0.269 0.000 3.288 328 C HA 0.830 5.298 4.460 0.013 0.000 0.318 328 C C -1.440 173.648 174.990 0.164 0.000 1.356 328 C CA -0.842 58.332 59.018 0.260 0.000 1.359 328 C CB 1.218 29.142 27.740 0.308 0.000 1.688 328 C HN 0.813 nan 8.230 nan 0.000 0.467 329 D N 1.268 121.744 120.400 0.128 0.000 2.256 329 D HA 0.570 5.218 4.640 0.013 0.000 0.250 329 D C -0.365 175.986 176.300 0.085 0.000 1.093 329 D CA 0.169 54.243 54.000 0.124 0.000 0.882 329 D CB 1.902 42.775 40.800 0.122 0.000 1.185 329 D HN 0.565 nan 8.370 nan 0.000 0.437 330 V N 1.225 121.213 119.914 0.124 0.000 2.495 330 V HA 0.665 4.793 4.120 0.013 0.000 0.298 330 V C 0.607 176.753 176.094 0.087 0.000 1.031 330 V CA -0.906 61.410 62.300 0.027 0.000 0.871 330 V CB 2.039 33.845 31.823 -0.028 0.000 0.988 330 V HN 0.598 nan 8.190 nan 0.000 0.432 331 G N 3.011 111.758 108.800 -0.089 0.000 2.437 331 G HA2 0.590 4.558 3.960 0.013 0.000 0.315 331 G HA3 0.590 4.558 3.960 0.013 0.000 0.315 331 G C -0.883 174.047 174.900 0.050 0.000 1.210 331 G CA -0.386 44.726 45.100 0.020 0.000 0.943 331 G HN 0.446 nan 8.290 nan 0.000 0.471 332 F N 3.999 124.138 119.950 0.316 0.000 2.487 332 F HA 0.370 4.904 4.527 0.012 0.000 0.364 332 F C 1.223 177.250 175.800 0.379 0.000 1.126 332 F CA 0.076 58.320 58.000 0.406 0.000 1.135 332 F CB 0.583 39.852 39.000 0.448 0.000 1.127 332 F HN 0.433 nan 8.300 nan 0.000 0.559 333 R N 3.227 124.001 120.500 0.457 0.000 2.594 333 R HA 0.347 4.695 4.340 0.013 0.000 0.265 333 R C -1.807 174.639 176.300 0.243 0.000 1.070 333 R CA -0.777 55.443 56.100 0.200 0.000 0.909 333 R CB 1.471 31.918 30.300 0.244 0.000 1.243 333 R HN 0.594 nan 8.270 nan 0.000 0.455 334 E N 2.695 122.948 120.200 0.088 0.000 2.166 334 E HA 0.439 4.797 4.350 0.013 0.000 0.275 334 E C -1.160 175.508 176.600 0.113 0.000 0.941 334 E CA -0.876 55.656 56.400 0.221 0.000 0.784 334 E CB 1.941 31.858 29.700 0.361 0.000 1.115 334 E HN 0.412 nan 8.360 nan 0.000 0.399 335 V N 5.778 125.758 119.914 0.110 0.000 2.409 335 V HA 0.565 4.692 4.120 0.013 0.000 0.291 335 V C -0.235 175.902 176.094 0.072 0.000 1.020 335 V CA -0.638 61.697 62.300 0.059 0.000 0.848 335 V CB 1.227 33.061 31.823 0.018 0.000 0.990 335 V HN 0.750 nan 8.190 nan 0.000 0.430 336 R N 4.090 124.629 120.500 0.065 0.000 2.692 336 R HA 0.748 5.096 4.340 0.013 0.000 0.269 336 R C -2.110 174.220 176.300 0.050 0.000 1.030 336 R CA -0.929 55.212 56.100 0.068 0.000 0.882 336 R CB 1.914 32.268 30.300 0.090 0.000 1.250 336 R HN 0.499 nan 8.270 nan 0.000 0.465 337 I N 1.263 121.863 120.570 0.050 0.000 2.362 337 I HA 0.364 4.541 4.170 0.013 0.000 0.289 337 I C -0.686 175.457 176.117 0.043 0.000 0.994 337 I CA -0.426 60.897 61.300 0.039 0.000 1.158 337 I CB 1.946 39.970 38.000 0.041 0.000 1.315 337 I HN 0.690 nan 8.210 nan 0.000 0.451 338 E N 5.353 125.575 120.200 0.038 0.000 2.292 338 E HA 0.305 4.663 4.350 0.013 0.000 0.272 338 E C -0.174 176.443 176.600 0.029 0.000 0.881 338 E CA -0.540 55.883 56.400 0.038 0.000 0.754 338 E CB 1.131 30.857 29.700 0.045 0.000 1.201 338 E HN 0.513 nan 8.360 nan 0.000 0.425 339 N N 2.676 121.392 118.700 0.027 0.000 2.714 339 N HA -0.227 4.520 4.740 0.013 0.000 0.250 339 N C 0.392 175.912 175.510 0.016 0.000 1.117 339 N CA 1.945 55.008 53.050 0.021 0.000 0.719 339 N CB -1.171 37.327 38.487 0.018 0.000 1.081 339 N HN 0.932 nan 8.380 nan 0.000 0.557 340 G N -2.178 106.633 108.800 0.018 0.000 2.159 340 G HA2 -0.278 3.690 3.960 0.013 0.000 0.256 340 G HA3 -0.278 3.690 3.960 0.013 0.000 0.256 340 G C -0.140 174.761 174.900 0.001 0.000 0.977 340 G CA 0.507 45.614 45.100 0.011 0.000 0.652 340 G HN 0.463 nan 8.290 nan 0.000 0.531 341 L N -0.005 121.219 121.223 0.002 0.000 2.365 341 L HA 0.679 5.027 4.340 0.013 0.000 0.273 341 L C 0.065 176.930 176.870 -0.007 0.000 1.000 341 L CA -1.371 53.462 54.840 -0.011 0.000 0.819 341 L CB 1.894 43.946 42.059 -0.012 0.000 1.284 341 L HN 0.074 nan 8.230 nan 0.000 0.418 342 L N 4.688 125.896 121.223 -0.026 0.000 2.325 342 L HA 0.403 4.751 4.340 0.013 0.000 0.284 342 L C -0.803 176.050 176.870 -0.029 0.000 1.089 342 L CA 0.438 55.262 54.840 -0.027 0.000 0.836 342 L CB 0.090 42.118 42.059 -0.052 0.000 1.184 342 L HN 0.383 nan 8.230 nan 0.000 0.444 343 L N 6.056 127.278 121.223 -0.001 0.000 2.329 343 L HA 0.539 4.886 4.340 0.013 0.000 0.279 343 L C -0.661 176.221 176.870 0.020 0.000 1.014 343 L CA -0.749 54.100 54.840 0.016 0.000 0.814 343 L CB 1.846 43.938 42.059 0.054 0.000 1.257 343 L HN 0.542 nan 8.230 nan 0.000 0.424 344 L N 3.894 125.141 121.223 0.040 0.000 2.325 344 L HA 0.475 4.823 4.340 0.013 0.000 0.281 344 L C -0.236 176.651 176.870 0.028 0.000 1.004 344 L CA -0.205 54.660 54.840 0.042 0.000 0.823 344 L CB 0.943 43.032 42.059 0.050 0.000 1.236 344 L HN 0.636 nan 8.230 nan 0.000 0.415 345 N N 4.088 122.670 118.700 -0.197 0.000 2.716 345 N HA -0.230 4.518 4.740 0.013 0.000 0.250 345 N C 0.921 176.169 175.510 -0.437 0.000 1.033 345 N CA 1.239 53.854 53.050 -0.724 0.000 0.727 345 N CB -1.348 36.572 38.487 -0.945 0.000 0.950 345 N HN 1.145 nan 8.380 nan 0.000 0.541 346 G N -1.895 106.909 108.800 0.006 0.000 2.184 346 G HA2 -0.368 3.600 3.960 0.013 0.000 0.264 346 G HA3 -0.368 3.600 3.960 0.013 0.000 0.264 346 G C -0.022 174.930 174.900 0.086 0.000 0.975 346 G CA 1.008 46.201 45.100 0.155 0.000 0.642 346 G HN 0.477 nan 8.290 nan 0.000 0.536 347 K N 0.759 121.203 120.400 0.074 0.000 2.203 347 K HA 0.531 4.859 4.320 0.013 0.000 0.251 347 K C -2.865 173.727 176.600 -0.013 0.000 0.944 347 K CA -2.104 54.181 56.287 -0.003 0.000 0.829 347 K CB 2.601 35.018 32.500 -0.138 0.000 1.125 347 K HN 0.038 nan 8.250 nan 0.000 0.430 348 P HA 0.235 nan 4.420 nan 0.000 0.282 348 P C -0.079 177.173 177.300 -0.081 0.000 1.262 348 P CA -0.292 62.776 63.100 -0.055 0.000 0.773 348 P CB 0.574 32.240 31.700 -0.058 0.000 0.879 349 L N 3.085 124.257 121.223 -0.085 0.000 2.466 349 L HA 0.323 4.671 4.340 0.013 0.000 0.257 349 L C 0.596 177.394 176.870 -0.119 0.000 1.189 349 L CA -0.528 54.253 54.840 -0.098 0.000 0.813 349 L CB 0.205 42.166 42.059 -0.163 0.000 1.118 349 L HN 0.257 nan 8.230 nan 0.000 0.471 350 L N 2.860 124.026 121.223 -0.096 0.000 2.492 350 L HA 0.390 4.738 4.340 0.013 0.000 0.258 350 L C -0.577 176.242 176.870 -0.086 0.000 1.028 350 L CA -0.197 54.560 54.840 -0.138 0.000 0.900 350 L CB 0.784 42.786 42.059 -0.094 0.000 1.191 350 L HN 0.235 nan 8.230 nan 0.000 0.459 351 I N 4.244 124.689 120.570 -0.209 0.000 2.494 351 I HA 0.131 4.309 4.170 0.013 0.000 0.289 351 I C 0.657 176.728 176.117 -0.076 0.000 1.106 351 I CA 0.377 61.564 61.300 -0.188 0.000 1.369 351 I CB 0.210 37.966 38.000 -0.407 0.000 1.410 351 I HN 0.548 nan 8.210 nan 0.000 0.523 352 R N 4.799 125.356 120.500 0.096 0.000 3.070 352 R HA 0.427 4.774 4.340 0.013 0.000 0.252 352 R C 0.566 176.993 176.300 0.211 0.000 1.370 352 R CA -0.260 55.949 56.100 0.182 0.000 1.482 352 R CB 0.753 30.998 30.300 -0.093 0.000 1.220 352 R HN 0.763 nan 8.270 nan 0.000 0.622 353 G N -0.027 108.856 108.800 0.139 0.000 2.552 353 G HA2 0.605 4.573 3.960 0.013 0.000 0.324 353 G HA3 0.605 4.573 3.960 0.013 0.000 0.324 353 G C -1.296 173.944 174.900 0.567 0.000 1.217 353 G CA -0.460 44.755 45.100 0.192 0.000 0.989 353 G HN 0.212 nan 8.290 nan 0.000 0.490 354 V N -0.180 120.023 119.914 0.482 0.000 3.012 354 V HA 0.470 4.598 4.120 0.013 0.000 0.307 354 V C -1.191 175.049 176.094 0.244 0.000 1.166 354 V CA -1.208 61.259 62.300 0.279 0.000 0.974 354 V CB 2.264 33.964 31.823 -0.205 0.000 1.040 354 V HN 0.751 nan 8.190 nan 0.000 0.428 355 N N 4.213 122.988 118.700 0.125 0.000 2.518 355 N HA 0.455 5.203 4.740 0.013 0.000 0.283 355 N C -0.759 174.583 175.510 -0.280 0.000 1.119 355 N CA -0.289 52.715 53.050 -0.078 0.000 0.983 355 N CB 1.484 39.916 38.487 -0.091 0.000 1.139 355 N HN 0.614 nan 8.380 nan 0.000 0.465 356 R N 1.958 122.250 120.500 -0.346 0.000 2.515 356 R HA 0.212 4.560 4.340 0.013 0.000 0.291 356 R C -1.112 174.947 176.300 -0.401 0.000 1.046 356 R CA -0.530 55.365 56.100 -0.341 0.000 0.914 356 R CB 0.939 31.009 30.300 -0.383 0.000 1.191 356 R HN 0.605 nan 8.270 nan 0.000 0.435 357 H N 2.034 120.954 119.070 -0.251 0.000 2.505 357 H HA 0.151 4.716 4.556 0.014 0.000 0.355 357 H C -0.501 174.827 175.328 -0.000 0.000 1.179 357 H CA -0.018 55.981 56.048 -0.081 0.000 1.343 357 H CB 1.536 31.310 29.762 0.021 0.000 1.501 357 H HN 0.545 nan 8.280 nan 0.000 0.569 358 E N 1.907 122.309 120.200 0.337 0.000 1.936 358 E HA 0.091 4.448 4.350 0.013 0.000 0.267 358 E C -0.750 175.991 176.600 0.235 0.000 1.076 358 E CA -0.044 56.468 56.400 0.188 0.000 0.870 358 E CB 0.134 29.967 29.700 0.222 0.000 1.093 358 E HN 0.364 nan 8.360 nan 0.000 0.411 359 H N 1.454 120.584 119.070 0.101 0.000 2.806 359 H HA 0.318 4.881 4.556 0.013 0.000 0.367 359 H C -1.593 173.791 175.328 0.093 0.000 1.136 359 H CA -0.678 55.425 56.048 0.091 0.000 1.178 359 H CB 1.180 30.978 29.762 0.060 0.000 1.718 359 H HN 0.353 nan 8.280 nan 0.000 0.540 360 H N 5.499 124.101 119.070 -0.781 0.000 2.856 360 H HA 0.207 4.771 4.556 0.013 0.000 0.355 360 H C -2.375 172.592 175.328 -0.602 0.000 1.079 360 H CA -2.322 53.458 56.048 -0.447 0.000 1.240 360 H CB 2.701 32.344 29.762 -0.198 0.000 1.701 360 H HN 0.526 nan 8.280 nan 0.000 0.527 361 P HA -0.069 nan 4.420 nan 0.000 0.218 361 P C 1.226 178.479 177.300 -0.079 0.000 1.149 361 P CA 0.899 63.910 63.100 -0.148 0.000 0.817 361 P CB 0.756 32.387 31.700 -0.115 0.000 0.785 362 L N -1.849 119.431 121.223 0.096 0.000 2.286 362 L HA 0.118 4.466 4.340 0.013 0.000 0.203 362 L C 2.001 178.625 176.870 -0.409 0.000 1.068 362 L CA 0.754 55.464 54.840 -0.217 0.000 0.811 362 L CB -1.036 40.771 42.059 -0.420 0.000 0.989 362 L HN 0.008 nan 8.230 nan 0.000 0.467 363 H N 0.021 118.950 119.070 -0.236 0.000 2.529 363 H HA 0.318 4.882 4.556 0.013 0.000 0.277 363 H C 1.444 176.644 175.328 -0.214 0.000 1.004 363 H CA 0.211 56.090 56.048 -0.281 0.000 1.167 363 H CB 0.303 29.813 29.762 -0.420 0.000 1.445 363 H HN 0.400 nan 8.280 nan 0.000 0.554 364 G N 1.559 110.254 108.800 -0.176 0.000 2.574 364 G HA2 -0.404 3.564 3.960 0.013 0.000 0.301 364 G HA3 -0.404 3.564 3.960 0.013 0.000 0.301 364 G C 0.779 175.577 174.900 -0.171 0.000 1.166 364 G CA 0.461 45.413 45.100 -0.247 0.000 0.971 364 G HN 0.484 nan 8.290 nan 0.000 0.542 365 Q N -0.002 119.734 119.800 -0.107 0.000 2.220 365 Q HA 0.448 4.796 4.340 0.013 0.000 0.205 365 Q C 0.369 176.465 176.000 0.160 0.000 0.865 365 Q CA -0.093 55.700 55.803 -0.016 0.000 0.960 365 Q CB 1.248 29.884 28.738 -0.171 0.000 1.097 365 Q HN 0.368 nan 8.270 nan 0.000 0.493 366 V N 2.290 122.271 119.914 0.112 0.000 2.470 366 V HA 0.107 4.235 4.120 0.013 0.000 0.276 366 V C 0.232 176.377 176.094 0.084 0.000 1.040 366 V CA 0.234 62.607 62.300 0.121 0.000 1.008 366 V CB 0.665 32.495 31.823 0.011 0.000 0.990 366 V HN 0.322 nan 8.190 nan 0.000 0.477 367 M N 4.800 124.451 119.600 0.085 0.000 2.478 367 M HA 0.495 4.982 4.480 0.013 0.000 0.327 367 M C -0.386 175.872 176.300 -0.071 0.000 1.187 367 M CA -0.564 54.745 55.300 0.016 0.000 1.022 367 M CB 1.474 34.053 32.600 -0.036 0.000 1.629 367 M HN 0.951 nan 8.290 nan 0.000 0.461 368 D N -1.476 118.892 120.400 -0.054 0.000 2.661 368 D HA 0.257 4.905 4.640 0.013 0.000 0.228 368 D C 0.291 176.577 176.300 -0.023 0.000 1.183 368 D CA -0.670 53.298 54.000 -0.052 0.000 0.844 368 D CB 1.515 42.313 40.800 -0.002 0.000 1.555 368 D HN 0.666 nan 8.370 nan 0.000 0.453 369 E N 0.128 120.320 120.200 -0.014 0.000 2.058 369 E HA -0.327 4.031 4.350 0.013 0.000 0.194 369 E C 1.644 178.293 176.600 0.080 0.000 0.997 369 E CA 1.399 57.822 56.400 0.039 0.000 0.801 369 E CB 0.099 29.834 29.700 0.057 0.000 0.746 369 E HN 0.590 nan 8.360 nan 0.000 0.450 370 Q N -0.419 119.430 119.800 0.080 0.000 2.096 370 Q HA -0.165 4.182 4.340 0.013 0.000 0.204 370 Q C 2.030 178.095 176.000 0.108 0.000 0.982 370 Q CA 1.999 57.859 55.803 0.096 0.000 0.850 370 Q CB -0.045 28.750 28.738 0.096 0.000 0.901 370 Q HN 0.317 nan 8.270 nan 0.000 0.422 371 T N 0.588 115.214 114.554 0.120 0.000 2.896 371 T HA -0.036 4.322 4.350 0.013 0.000 0.263 371 T C 1.860 176.638 174.700 0.129 0.000 1.050 371 T CA 0.962 63.141 62.100 0.133 0.000 1.140 371 T CB -0.057 68.917 68.868 0.177 0.000 0.877 371 T HN 0.271 nan 8.240 nan 0.000 0.457 372 M N 0.519 120.202 119.600 0.138 0.000 2.117 372 M HA -0.087 4.400 4.480 0.013 0.000 0.262 372 M C 2.403 178.836 176.300 0.221 0.000 1.065 372 M CA 1.280 56.733 55.300 0.254 0.000 1.114 372 M CB -0.605 32.191 32.600 0.327 0.000 1.361 372 M HN 0.102 nan 8.290 nan 0.000 0.408 373 V N 0.389 120.375 119.914 0.119 0.000 2.295 373 V HA -0.303 3.825 4.120 0.013 0.000 0.246 373 V C 2.384 178.471 176.094 -0.011 0.000 1.049 373 V CA 2.153 64.466 62.300 0.021 0.000 1.024 373 V CB -0.892 30.979 31.823 0.080 0.000 0.648 373 V HN 0.566 nan 8.190 nan 0.000 0.447 374 Q N -0.366 119.471 119.800 0.062 0.000 2.135 374 Q HA -0.288 4.059 4.340 0.013 0.000 0.204 374 Q C 1.915 177.974 176.000 0.099 0.000 0.981 374 Q CA 2.220 58.070 55.803 0.079 0.000 0.856 374 Q CB -0.150 28.650 28.738 0.104 0.000 0.902 374 Q HN 0.629 nan 8.270 nan 0.000 0.425 375 D N 0.287 120.756 120.400 0.114 0.000 2.097 375 D HA -0.119 4.529 4.640 0.013 0.000 0.197 375 D C 1.951 178.193 176.300 -0.096 0.000 0.984 375 D CA 1.129 55.183 54.000 0.090 0.000 0.826 375 D CB -0.212 40.621 40.800 0.056 0.000 0.973 375 D HN 0.346 nan 8.370 nan 0.000 0.460 376 I N 0.816 121.331 120.570 -0.091 0.000 2.208 376 I HA -0.250 3.928 4.170 0.013 0.000 0.245 376 I C 2.451 178.419 176.117 -0.250 0.000 1.097 376 I CA 0.677 61.817 61.300 -0.267 0.000 1.363 376 I CB -0.157 37.546 38.000 -0.494 0.000 1.051 376 I HN 0.013 nan 8.210 nan 0.000 0.413 377 L N 0.060 121.171 121.223 -0.186 0.000 1.989 377 L HA -0.252 4.095 4.340 0.013 0.000 0.211 377 L C 2.611 179.535 176.870 0.090 0.000 1.071 377 L CA 1.631 56.451 54.840 -0.033 0.000 0.749 377 L CB -0.733 41.327 42.059 0.000 0.000 0.890 377 L HN 0.306 nan 8.230 nan 0.000 0.431 378 L N -0.902 120.395 121.223 0.123 0.000 2.046 378 L HA -0.261 4.087 4.340 0.013 0.000 0.208 378 L C 2.761 179.781 176.870 0.251 0.000 1.077 378 L CA 1.366 56.362 54.840 0.260 0.000 0.747 378 L CB -0.316 42.013 42.059 0.449 0.000 0.896 378 L HN 0.299 nan 8.230 nan 0.000 0.432 379 M N -0.504 119.070 119.600 -0.043 0.000 2.073 379 M HA -0.282 4.206 4.480 0.013 0.000 0.258 379 M C 2.276 178.660 176.300 0.139 0.000 1.070 379 M CA 1.970 57.165 55.300 -0.176 0.000 1.103 379 M CB -0.440 31.839 32.600 -0.534 0.000 1.321 379 M HN 0.085 nan 8.290 nan 0.000 0.405 380 K N -0.160 120.231 120.400 -0.015 0.000 2.097 380 K HA -0.167 4.160 4.320 0.013 0.000 0.205 380 K C 2.021 178.636 176.600 0.025 0.000 1.050 380 K CA 1.243 57.432 56.287 -0.165 0.000 0.938 380 K CB -0.193 32.012 32.500 -0.492 0.000 0.718 380 K HN 0.437 nan 8.250 nan 0.000 0.442 381 Q N 0.357 120.319 119.800 0.270 0.000 2.224 381 Q HA -0.022 4.326 4.340 0.013 0.000 0.203 381 Q C 0.806 177.112 176.000 0.509 0.000 0.970 381 Q CA 0.758 56.819 55.803 0.429 0.000 0.865 381 Q CB 0.218 29.165 28.738 0.348 0.000 0.922 381 Q HN 0.252 nan 8.270 nan 0.000 0.445 382 N N 0.749 119.707 118.700 0.430 0.000 2.320 382 N HA 0.047 4.795 4.740 0.013 0.000 0.237 382 N C -0.664 174.992 175.510 0.244 0.000 1.129 382 N CA 0.060 53.360 53.050 0.417 0.000 0.854 382 N CB 0.659 39.469 38.487 0.537 0.000 1.083 382 N HN 0.156 nan 8.380 nan 0.000 0.504 383 N N 0.074 118.923 118.700 0.248 0.000 2.776 383 N HA -0.185 4.563 4.740 0.013 0.000 0.250 383 N C -0.890 174.603 175.510 -0.029 0.000 1.112 383 N CA 0.792 53.945 53.050 0.171 0.000 0.733 383 N CB -1.713 36.792 38.487 0.030 0.000 1.097 383 N HN 0.240 nan 8.380 nan 0.000 0.558 384 F N 0.948 120.934 119.950 0.059 0.000 2.377 384 F HA 0.357 4.892 4.527 0.013 0.000 0.328 384 F C 1.779 177.583 175.800 0.005 0.000 1.094 384 F CA -0.631 57.386 58.000 0.027 0.000 1.093 384 F CB 0.796 39.789 39.000 -0.013 0.000 1.214 384 F HN 0.043 nan 8.300 nan 0.000 0.518 385 N N 0.348 119.168 118.700 0.200 0.000 2.160 385 N HA 0.463 5.211 4.740 0.013 0.000 0.226 385 N C -0.910 174.620 175.510 0.033 0.000 1.256 385 N CA 0.030 53.107 53.050 0.046 0.000 0.890 385 N CB 0.765 39.327 38.487 0.125 0.000 1.116 385 N HN 0.518 nan 8.380 nan 0.000 0.517 386 A N -0.597 122.330 122.820 0.179 0.000 2.612 386 A HA 0.740 5.068 4.320 0.013 0.000 0.293 386 A C -1.854 175.949 177.584 0.365 0.000 1.075 386 A CA -0.623 51.588 52.037 0.289 0.000 0.680 386 A CB 1.650 20.841 19.000 0.319 0.000 1.279 386 A HN 0.289 nan 8.150 nan 0.000 0.411 387 V N 1.017 121.219 119.914 0.480 0.000 3.012 387 V HA 0.777 4.905 4.120 0.013 0.000 0.307 387 V C -0.812 175.456 176.094 0.290 0.000 1.166 387 V CA -0.701 61.842 62.300 0.404 0.000 0.974 387 V CB 1.989 33.961 31.823 0.247 0.000 1.040 387 V HN 1.094 nan 8.190 nan 0.000 0.428 388 R N 4.374 124.878 120.500 0.007 0.000 2.338 388 R HA 0.479 4.827 4.340 0.013 0.000 0.317 388 R C -0.673 175.502 176.300 -0.209 0.000 0.968 388 R CA -0.502 55.412 56.100 -0.311 0.000 0.849 388 R CB 1.129 31.076 30.300 -0.589 0.000 1.128 388 R HN 0.838 nan 8.270 nan 0.000 0.448 389 C N 4.185 123.383 119.300 -0.169 0.000 3.183 389 C HA 0.081 4.548 4.460 0.013 0.000 0.545 389 C C 0.677 175.406 174.990 -0.435 0.000 1.044 389 C CA -0.393 58.479 59.018 -0.243 0.000 1.117 389 C CB -2.086 25.632 27.740 -0.036 0.000 1.393 389 C HN 0.707 nan 8.230 nan 0.000 0.611 390 S N 1.423 116.757 115.700 -0.609 0.000 2.481 390 S HA 0.115 4.593 4.470 0.013 0.000 0.282 390 S C -0.111 173.617 174.600 -1.454 0.000 1.243 390 S CA 0.335 57.931 58.200 -1.007 0.000 1.078 390 S CB 0.038 62.632 63.200 -1.011 0.000 0.916 390 S HN 0.723 nan 8.310 nan 0.000 0.495 391 H N 3.958 122.403 119.070 -1.042 0.000 2.439 391 H HA 0.327 4.891 4.556 0.013 0.000 0.228 391 H C -1.175 174.010 175.328 -0.239 0.000 1.423 391 H CA -0.356 55.475 56.048 -0.362 0.000 1.386 391 H CB -0.099 29.650 29.762 -0.022 0.000 1.641 391 H HN 0.893 nan 8.280 nan 0.000 0.508 392 Y N -2.800 117.610 120.300 0.184 0.000 2.786 392 Y HA 0.328 4.886 4.550 0.014 0.000 0.365 392 Y C -3.339 172.672 175.900 0.185 0.000 1.171 392 Y CA -2.922 55.291 58.100 0.189 0.000 1.214 392 Y CB -0.073 38.505 38.460 0.196 0.000 1.411 392 Y HN -0.053 nan 8.280 nan 0.000 0.485 393 P HA 0.088 nan 4.420 nan 0.000 0.266 393 P C -0.483 177.114 177.300 0.495 0.000 1.195 393 P CA 0.330 63.683 63.100 0.420 0.000 0.768 393 P CB 0.561 32.433 31.700 0.286 0.000 0.838 394 N N 0.733 119.745 118.700 0.521 0.000 2.458 394 N HA 0.078 4.826 4.740 0.013 0.000 0.271 394 N C 0.140 175.895 175.510 0.407 0.000 1.210 394 N CA -0.556 52.728 53.050 0.390 0.000 0.978 394 N CB 0.397 38.959 38.487 0.126 0.000 1.206 394 N HN 0.599 nan 8.380 nan 0.000 0.536 395 H N 2.307 121.489 119.070 0.186 0.000 3.064 395 H HA -0.007 4.557 4.556 0.013 0.000 0.329 395 H C -1.613 173.876 175.328 0.268 0.000 1.020 395 H CA -0.626 55.506 56.048 0.140 0.000 1.402 395 H CB 0.957 30.770 29.762 0.085 0.000 1.379 395 H HN 0.436 nan 8.280 nan 0.000 0.594 396 P HA -0.225 nan 4.420 nan 0.000 0.217 396 P C 1.845 179.464 177.300 0.531 0.000 1.151 396 P CA 0.768 64.083 63.100 0.358 0.000 0.849 396 P CB 0.209 31.980 31.700 0.119 0.000 0.787 397 L N -0.916 120.730 121.223 0.705 0.000 2.191 397 L HA -0.078 4.270 4.340 0.013 0.000 0.212 397 L C 2.407 179.455 176.870 0.296 0.000 1.103 397 L CA 1.379 56.476 54.840 0.428 0.000 0.769 397 L CB -1.468 40.759 42.059 0.281 0.000 0.908 397 L HN 0.040 nan 8.230 nan 0.000 0.438 398 W N -0.475 120.867 121.300 0.070 0.000 2.318 398 W HA -0.346 4.321 4.660 0.012 0.000 0.313 398 W C 2.101 178.464 176.519 -0.260 0.000 1.221 398 W CA 2.024 59.260 57.345 -0.181 0.000 1.266 398 W CB -0.377 28.866 29.460 -0.362 0.000 1.150 398 W HN 0.278 nan 8.180 nan 0.000 0.496 399 Y N 0.677 120.902 120.300 -0.125 0.000 2.242 399 Y HA -0.201 4.357 4.550 0.012 0.000 0.291 399 Y C 2.832 178.538 175.900 -0.324 0.000 1.137 399 Y CA 2.091 59.909 58.100 -0.469 0.000 1.181 399 Y CB -1.262 36.527 38.460 -1.117 0.000 0.989 399 Y HN -0.218 nan 8.280 nan 0.000 0.527 400 T N 0.783 115.382 114.554 0.075 0.000 2.746 400 T HA -0.161 4.197 4.350 0.013 0.000 0.267 400 T C 1.987 176.731 174.700 0.074 0.000 1.039 400 T CA 1.514 63.722 62.100 0.180 0.000 1.142 400 T CB -0.589 68.408 68.868 0.215 0.000 0.866 400 T HN 0.227 nan 8.240 nan 0.000 0.444 401 L N 0.392 121.610 121.223 -0.008 0.000 2.017 401 L HA -0.094 4.254 4.340 0.013 0.000 0.208 401 L C 2.937 179.769 176.870 -0.063 0.000 1.073 401 L CA 0.988 55.830 54.840 0.004 0.000 0.745 401 L CB -0.854 41.186 42.059 -0.031 0.000 0.894 401 L HN 0.350 nan 8.230 nan 0.000 0.432 402 C N -0.150 118.945 119.300 -0.342 0.000 2.425 402 C HA -0.141 4.326 4.460 0.013 0.000 0.277 402 C C 2.451 177.483 174.990 0.070 0.000 1.280 402 C CA 0.463 59.321 59.018 -0.267 0.000 1.744 402 C CB -0.826 26.645 27.740 -0.448 0.000 1.989 402 C HN 0.542 nan 8.230 nan 0.000 0.491 403 D N 0.470 120.930 120.400 0.100 0.000 2.117 403 D HA -0.100 4.548 4.640 0.013 0.000 0.197 403 D C 2.388 178.912 176.300 0.373 0.000 0.987 403 D CA 1.210 55.366 54.000 0.260 0.000 0.829 403 D CB -0.348 40.553 40.800 0.168 0.000 0.961 403 D HN 0.532 nan 8.370 nan 0.000 0.460 404 R N -1.024 119.578 120.500 0.170 0.000 2.100 404 R HA 0.017 4.365 4.340 0.013 0.000 0.220 404 R C 2.015 178.299 176.300 -0.028 0.000 1.091 404 R CA 0.575 56.707 56.100 0.054 0.000 0.986 404 R CB -0.141 30.114 30.300 -0.076 0.000 0.888 404 R HN 0.284 nan 8.270 nan 0.000 0.444 405 Y N -0.119 120.183 120.300 0.005 0.000 2.490 405 Y HA 0.194 4.752 4.550 0.013 0.000 0.285 405 Y C 0.909 176.722 175.900 -0.145 0.000 1.117 405 Y CA 0.573 58.646 58.100 -0.045 0.000 1.262 405 Y CB 0.854 39.266 38.460 -0.080 0.000 1.043 405 Y HN 0.218 nan 8.280 nan 0.000 0.553 406 G N 1.441 110.255 108.800 0.023 0.000 2.858 406 G HA2 -0.169 3.799 3.960 0.013 0.000 0.266 406 G HA3 -0.169 3.799 3.960 0.013 0.000 0.266 406 G C -1.160 173.566 174.900 -0.290 0.000 1.023 406 G CA -0.527 44.445 45.100 -0.212 0.000 1.172 406 G HN 0.169 nan 8.290 nan 0.000 0.523 407 L N 1.229 122.355 121.223 -0.162 0.000 2.493 407 L HA 0.445 4.793 4.340 0.013 0.000 0.265 407 L C -0.057 176.805 176.870 -0.014 0.000 0.954 407 L CA -1.215 53.499 54.840 -0.210 0.000 0.844 407 L CB 2.050 44.011 42.059 -0.163 0.000 1.302 407 L HN 0.494 nan 8.230 nan 0.000 0.405 408 Y N 2.195 122.620 120.300 0.208 0.000 2.377 408 Y HA 0.300 4.860 4.550 0.016 0.000 0.330 408 Y C 0.268 176.298 175.900 0.215 0.000 1.108 408 Y CA -0.680 57.574 58.100 0.256 0.000 1.308 408 Y CB 1.284 39.875 38.460 0.220 0.000 1.216 408 Y HN 0.168 nan 8.280 nan 0.000 0.518 409 V N 4.878 124.989 119.914 0.329 0.000 2.459 409 V HA 0.273 4.401 4.120 0.013 0.000 0.295 409 V C -0.420 175.764 176.094 0.151 0.000 1.029 409 V CA -0.956 61.474 62.300 0.217 0.000 0.874 409 V CB 1.767 33.674 31.823 0.140 0.000 0.985 409 V HN 0.450 nan 8.190 nan 0.000 0.438 410 V N 3.791 123.769 119.914 0.107 0.000 2.333 410 V HA 0.325 4.453 4.120 0.013 0.000 0.274 410 V C -0.253 175.879 176.094 0.063 0.000 1.028 410 V CA -0.356 61.949 62.300 0.009 0.000 0.851 410 V CB 1.407 33.117 31.823 -0.189 0.000 1.000 410 V HN 0.860 nan 8.190 nan 0.000 0.456 411 D N 4.219 124.687 120.400 0.114 0.000 2.198 411 D HA 0.367 5.015 4.640 0.013 0.000 0.245 411 D C -0.318 176.178 176.300 0.327 0.000 1.079 411 D CA -0.168 54.000 54.000 0.279 0.000 0.854 411 D CB 1.570 42.588 40.800 0.365 0.000 1.148 411 D HN 0.691 nan 8.370 nan 0.000 0.456 412 E N 1.803 122.165 120.200 0.269 0.000 2.224 412 E HA 0.608 4.966 4.350 0.013 0.000 0.265 412 E C -1.189 175.546 176.600 0.225 0.000 0.878 412 E CA -1.008 55.528 56.400 0.227 0.000 0.759 412 E CB 1.365 31.145 29.700 0.135 0.000 1.164 412 E HN 0.431 nan 8.360 nan 0.000 0.414 413 A N 3.915 126.860 122.820 0.208 0.000 2.462 413 A HA 0.074 4.402 4.320 0.013 0.000 0.243 413 A C 0.340 178.041 177.584 0.196 0.000 1.076 413 A CA -0.204 51.932 52.037 0.166 0.000 0.773 413 A CB 0.114 19.174 19.000 0.101 0.000 1.010 413 A HN 0.720 nan 8.150 nan 0.000 0.493 414 N N 1.386 120.212 118.700 0.209 0.000 3.103 414 N HA 0.239 4.987 4.740 0.013 0.000 0.305 414 N C -1.018 174.617 175.510 0.207 0.000 1.232 414 N CA 0.297 53.505 53.050 0.263 0.000 1.190 414 N CB -0.864 37.785 38.487 0.269 0.000 1.461 414 N HN 0.479 nan 8.380 nan 0.000 0.538 415 I N 0.910 121.594 120.570 0.190 0.000 2.497 415 I HA 0.273 4.450 4.170 0.013 0.000 0.284 415 I C -0.647 175.562 176.117 0.153 0.000 1.060 415 I CA -0.619 60.773 61.300 0.154 0.000 1.071 415 I CB 1.756 39.816 38.000 0.101 0.000 1.216 415 I HN 0.253 nan 8.210 nan 0.000 0.442 416 E N 4.126 124.415 120.200 0.148 0.000 2.287 416 E HA 0.382 4.740 4.350 0.013 0.000 0.274 416 E C -0.552 176.114 176.600 0.110 0.000 0.896 416 E CA -0.510 55.951 56.400 0.101 0.000 0.788 416 E CB 1.620 31.359 29.700 0.066 0.000 1.244 416 E HN 0.579 nan 8.360 nan 0.000 0.408 417 T N 0.608 115.212 114.554 0.084 0.000 3.331 417 T HA 0.160 4.518 4.350 0.013 0.000 0.282 417 T C 0.921 175.664 174.700 0.072 0.000 1.010 417 T CA -0.235 61.941 62.100 0.127 0.000 0.928 417 T CB -0.321 68.595 68.868 0.080 0.000 1.154 417 T HN 0.673 nan 8.240 nan 0.000 0.516 418 H N 1.243 120.230 119.070 -0.138 0.000 2.357 418 H HA -0.096 4.469 4.556 0.014 0.000 0.296 418 H C 2.365 177.563 175.328 -0.217 0.000 1.108 418 H CA 1.482 57.416 56.048 -0.190 0.000 1.273 418 H CB -0.242 29.369 29.762 -0.251 0.000 1.367 418 H HN 0.575 nan 8.280 nan 0.000 0.498 419 G N 0.253 108.907 108.800 -0.243 0.000 2.559 419 G HA2 -0.099 3.869 3.960 0.013 0.000 0.216 419 G HA3 -0.099 3.869 3.960 0.013 0.000 0.216 419 G C 0.566 175.549 174.900 0.138 0.000 1.126 419 G CA -0.000 44.940 45.100 -0.266 0.000 0.778 419 G HN 0.158 nan 8.290 nan 0.000 0.543 420 M N 0.170 119.905 119.600 0.224 0.000 2.207 420 M HA 0.307 4.795 4.480 0.013 0.000 0.311 420 M C -0.330 176.008 176.300 0.063 0.000 1.127 420 M CA -0.164 55.235 55.300 0.164 0.000 1.181 420 M CB 1.317 33.962 32.600 0.075 0.000 1.409 420 M HN -0.200 nan 8.290 nan 0.000 0.461 421 V N 3.416 123.348 119.914 0.030 0.000 2.447 421 V HA 0.349 4.477 4.120 0.013 0.000 0.292 421 V C -2.025 174.066 176.094 -0.006 0.000 1.021 421 V CA -1.288 61.015 62.300 0.005 0.000 0.850 421 V CB 1.772 33.593 31.823 -0.003 0.000 1.005 421 V HN 0.720 nan 8.190 nan 0.000 0.426 422 P HA 0.288 nan 4.420 nan 0.000 0.286 422 P C 1.083 178.386 177.300 0.005 0.000 1.293 422 P CA -0.546 62.552 63.100 -0.003 0.000 0.770 422 P CB 0.917 32.617 31.700 -0.000 0.000 1.206 423 M N 0.350 119.955 119.600 0.010 0.000 2.267 423 M HA -0.168 4.320 4.480 0.013 0.000 0.263 423 M C 1.124 177.440 176.300 0.027 0.000 1.063 423 M CA 1.810 57.122 55.300 0.020 0.000 1.090 423 M CB -0.486 32.112 32.600 -0.003 0.000 1.392 423 M HN 0.361 nan 8.290 nan 0.000 0.422 424 N N -0.075 118.642 118.700 0.029 0.000 2.313 424 N HA -0.078 4.670 4.740 0.013 0.000 0.207 424 N C 1.135 176.626 175.510 -0.031 0.000 1.141 424 N CA 0.161 53.229 53.050 0.031 0.000 0.830 424 N CB -0.745 37.779 38.487 0.062 0.000 1.008 424 N HN 0.367 nan 8.380 nan 0.000 0.481 425 R N 0.609 121.079 120.500 -0.050 0.000 2.119 425 R HA -0.072 4.275 4.340 0.013 0.000 0.246 425 R C 1.431 177.634 176.300 -0.161 0.000 1.146 425 R CA 1.516 57.564 56.100 -0.086 0.000 0.962 425 R CB -0.157 30.099 30.300 -0.075 0.000 0.863 425 R HN 0.298 nan 8.270 nan 0.000 0.442 426 L N -0.351 120.705 121.223 -0.278 0.000 2.127 426 L HA -0.030 4.318 4.340 0.013 0.000 0.203 426 L C 2.646 179.371 176.870 -0.242 0.000 1.080 426 L CA 1.415 55.958 54.840 -0.494 0.000 0.768 426 L CB -0.642 40.872 42.059 -0.908 0.000 0.924 426 L HN 0.426 nan 8.230 nan 0.000 0.444 427 T N -4.032 110.405 114.554 -0.196 0.000 2.962 427 T HA -0.198 4.160 4.350 0.013 0.000 0.270 427 T C 1.377 175.970 174.700 -0.178 0.000 1.088 427 T CA 1.406 63.368 62.100 -0.229 0.000 1.127 427 T CB -0.268 68.407 68.868 -0.321 0.000 0.883 427 T HN 0.118 nan 8.240 nan 0.000 0.493 428 D N 1.280 121.619 120.400 -0.102 0.000 2.339 428 D HA 0.086 4.734 4.640 0.013 0.000 0.217 428 D C -0.124 176.157 176.300 -0.031 0.000 1.050 428 D CA -0.080 53.878 54.000 -0.069 0.000 0.856 428 D CB -0.156 40.620 40.800 -0.040 0.000 0.922 428 D HN 0.374 nan 8.370 nan 0.000 0.518 429 D N -0.420 119.978 120.400 -0.004 0.000 2.280 429 D HA 0.138 4.786 4.640 0.013 0.000 0.236 429 D C -1.770 174.585 176.300 0.091 0.000 1.082 429 D CA -2.276 51.763 54.000 0.065 0.000 0.834 429 D CB 2.011 42.898 40.800 0.144 0.000 1.100 429 D HN -0.081 nan 8.370 nan 0.000 0.486 430 P HA -0.106 nan 4.420 nan 0.000 0.219 430 P C 0.983 178.281 177.300 -0.004 0.000 1.146 430 P CA 0.889 63.995 63.100 0.011 0.000 0.808 430 P CB 0.215 31.911 31.700 -0.007 0.000 0.779 431 R N -2.046 118.457 120.500 0.006 0.000 2.285 431 R HA -0.078 4.270 4.340 0.013 0.000 0.213 431 R C 1.383 177.531 176.300 -0.253 0.000 1.068 431 R CA 1.035 57.066 56.100 -0.115 0.000 1.004 431 R CB -0.543 29.680 30.300 -0.128 0.000 0.873 431 R HN 0.342 nan 8.270 nan 0.000 0.467 432 W N -0.361 120.882 121.300 -0.096 0.000 3.220 432 W HA 0.149 4.816 4.660 0.013 0.000 0.328 432 W C 1.478 177.932 176.519 -0.107 0.000 1.205 432 W CA -0.565 56.721 57.345 -0.098 0.000 1.773 432 W CB 0.069 29.468 29.460 -0.102 0.000 1.086 432 W HN -0.017 nan 8.180 nan 0.000 0.622 433 L N 2.243 123.484 121.223 0.029 0.000 1.990 433 L HA -0.117 4.230 4.340 0.013 0.000 0.213 433 L C -0.596 176.231 176.870 -0.071 0.000 1.072 433 L CA 2.437 57.257 54.840 -0.033 0.000 0.755 433 L CB -1.711 40.319 42.059 -0.049 0.000 0.889 433 L HN -0.223 nan 8.230 nan 0.000 0.432 434 P HA -0.208 nan 4.420 nan 0.000 0.214 434 P C 1.560 178.800 177.300 -0.100 0.000 1.163 434 P CA 2.345 65.379 63.100 -0.111 0.000 0.889 434 P CB -0.262 31.364 31.700 -0.123 0.000 0.790 435 A N -1.387 121.386 122.820 -0.079 0.000 1.933 435 A HA -0.184 4.143 4.320 0.013 0.000 0.218 435 A C 2.231 179.821 177.584 0.011 0.000 1.175 435 A CA 1.863 53.886 52.037 -0.023 0.000 0.628 435 A CB -1.421 17.587 19.000 0.015 0.000 0.814 435 A HN 0.116 nan 8.150 nan 0.000 0.444 436 M N 0.171 119.784 119.600 0.021 0.000 2.132 436 M HA -0.148 4.339 4.480 0.013 0.000 0.263 436 M C 2.575 178.814 176.300 -0.102 0.000 1.065 436 M CA 1.665 56.956 55.300 -0.016 0.000 1.122 436 M CB -0.408 32.160 32.600 -0.054 0.000 1.365 436 M HN 0.670 nan 8.290 nan 0.000 0.411 437 S N 0.782 116.393 115.700 -0.150 0.000 2.372 437 S HA -0.246 4.232 4.470 0.013 0.000 0.227 437 S C 1.551 175.965 174.600 -0.309 0.000 1.044 437 S CA 1.960 60.001 58.200 -0.265 0.000 1.050 437 S CB -0.747 62.285 63.200 -0.280 0.000 0.901 437 S HN 0.581 nan 8.310 nan 0.000 0.447 438 E N 0.822 120.895 120.200 -0.211 0.000 2.208 438 E HA 0.009 4.367 4.350 0.013 0.000 0.193 438 E C 2.429 178.934 176.600 -0.157 0.000 0.988 438 E CA 0.608 56.890 56.400 -0.196 0.000 0.828 438 E CB -0.122 29.500 29.700 -0.129 0.000 0.763 438 E HN 0.567 nan 8.360 nan 0.000 0.478 439 R N 0.233 120.671 120.500 -0.104 0.000 2.115 439 R HA -0.068 4.280 4.340 0.013 0.000 0.230 439 R C 2.193 178.444 176.300 -0.080 0.000 1.111 439 R CA 0.793 56.866 56.100 -0.045 0.000 0.976 439 R CB 0.013 30.323 30.300 0.017 0.000 0.870 439 R HN 0.030 nan 8.270 nan 0.000 0.445 440 V N 0.107 119.925 119.914 -0.160 0.000 2.374 440 V HA -0.168 3.960 4.120 0.013 0.000 0.241 440 V C 2.436 178.325 176.094 -0.343 0.000 1.034 440 V CA 2.109 64.285 62.300 -0.207 0.000 1.037 440 V CB -0.227 31.465 31.823 -0.219 0.000 0.682 440 V HN 0.508 nan 8.190 nan 0.000 0.463 441 T N -0.881 113.346 114.554 -0.545 0.000 2.788 441 T HA -0.232 4.126 4.350 0.013 0.000 0.268 441 T C 1.929 176.449 174.700 -0.300 0.000 1.044 441 T CA 1.363 63.066 62.100 -0.661 0.000 1.139 441 T CB -0.403 67.907 68.868 -0.929 0.000 0.867 441 T HN 0.380 nan 8.240 nan 0.000 0.454 442 R N 0.276 120.628 120.500 -0.246 0.000 2.115 442 R HA 0.167 4.514 4.340 0.013 0.000 0.230 442 R C 2.647 178.848 176.300 -0.165 0.000 1.111 442 R CA 1.435 57.429 56.100 -0.177 0.000 0.976 442 R CB -0.453 29.758 30.300 -0.148 0.000 0.870 442 R HN 0.471 nan 8.270 nan 0.000 0.445 443 M N 0.537 120.042 119.600 -0.158 0.000 2.132 443 M HA -0.122 4.366 4.480 0.013 0.000 0.263 443 M C 1.773 177.951 176.300 -0.203 0.000 1.065 443 M CA 1.606 56.839 55.300 -0.111 0.000 1.122 443 M CB 0.179 32.764 32.600 -0.024 0.000 1.365 443 M HN -0.011 nan 8.290 nan 0.000 0.411 444 V N 1.050 120.725 119.914 -0.398 0.000 2.358 444 V HA -0.254 3.874 4.120 0.013 0.000 0.246 444 V C 2.222 178.169 176.094 -0.245 0.000 1.047 444 V CA 1.816 63.747 62.300 -0.616 0.000 1.035 444 V CB -0.919 30.516 31.823 -0.647 0.000 0.658 444 V HN 0.575 nan 8.190 nan 0.000 0.452 445 Q N -0.366 119.332 119.800 -0.170 0.000 2.181 445 Q HA -0.234 4.114 4.340 0.013 0.000 0.205 445 Q C 2.459 178.350 176.000 -0.182 0.000 0.980 445 Q CA 1.673 57.387 55.803 -0.148 0.000 0.862 445 Q CB -0.215 28.461 28.738 -0.105 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.379 120.764 120.500 -0.190 0.000 2.080 446 R HA -0.094 4.254 4.340 0.013 0.000 0.222 446 R C 0.731 176.945 176.300 -0.143 0.000 1.107 446 R CA 1.332 57.299 56.100 -0.222 0.000 0.980 446 R CB 0.336 30.502 30.300 -0.223 0.000 0.879 446 R HN 0.166 nan 8.270 nan 0.000 0.439 447 D N 0.112 120.494 120.400 -0.030 0.000 2.354 447 D HA -0.040 4.608 4.640 0.013 0.000 0.209 447 D C 1.588 178.027 176.300 0.232 0.000 1.015 447 D CA 0.283 54.341 54.000 0.097 0.000 0.867 447 D CB 0.061 40.883 40.800 0.037 0.000 0.933 447 D HN 0.371 nan 8.370 nan 0.000 0.520 448 R N 0.871 121.514 120.500 0.238 0.000 2.211 448 R HA -0.055 4.293 4.340 0.013 0.000 0.240 448 R C 0.808 177.128 176.300 0.033 0.000 1.144 448 R CA 1.012 57.260 56.100 0.247 0.000 0.992 448 R CB -0.351 30.025 30.300 0.127 0.000 0.869 448 R HN -0.001 nan 8.270 nan 0.000 0.462 449 N N 0.258 118.901 118.700 -0.095 0.000 2.336 449 N HA -0.005 4.743 4.740 0.013 0.000 0.189 449 N C -0.406 174.985 175.510 -0.199 0.000 1.113 449 N CA 0.237 53.197 53.050 -0.149 0.000 0.858 449 N CB 0.077 38.456 38.487 -0.180 0.000 0.970 449 N HN 0.320 nan 8.380 nan 0.000 0.471 450 H N 1.651 120.666 119.070 -0.092 0.000 2.819 450 H HA 0.082 4.646 4.556 0.013 0.000 0.303 450 H C -1.162 174.024 175.328 -0.238 0.000 1.058 450 H CA -1.063 54.914 56.048 -0.120 0.000 1.471 450 H CB 1.492 31.223 29.762 -0.051 0.000 1.480 450 H HN 0.053 nan 8.280 nan 0.000 0.517 451 P HA -0.159 nan 4.420 nan 0.000 0.218 451 P C 1.446 178.282 177.300 -0.774 0.000 1.149 451 P CA 1.165 63.901 63.100 -0.606 0.000 0.817 451 P CB 0.250 31.306 31.700 -1.072 0.000 0.785 452 S N -0.679 114.683 115.700 -0.565 0.000 2.419 452 S HA -0.053 4.425 4.470 0.013 0.000 0.233 452 S C 1.130 175.705 174.600 -0.041 0.000 1.016 452 S CA 0.446 58.488 58.200 -0.263 0.000 0.974 452 S CB -1.572 61.628 63.200 -0.001 0.000 0.786 452 S HN -0.050 nan 8.310 nan 0.000 0.492 453 V N 3.783 123.641 119.914 -0.093 0.000 2.439 453 V HA 0.220 4.348 4.120 0.013 0.000 0.271 453 V C 1.114 177.064 176.094 -0.241 0.000 1.040 453 V CA 0.030 62.235 62.300 -0.158 0.000 1.002 453 V CB 0.197 31.821 31.823 -0.332 0.000 1.000 453 V HN 0.626 nan 8.190 nan 0.000 0.477 454 I N 2.355 122.836 120.570 -0.148 0.000 4.187 454 I HA 0.505 4.683 4.170 0.013 0.000 0.326 454 I C 0.354 176.356 176.117 -0.192 0.000 1.302 454 I CA 0.464 61.683 61.300 -0.135 0.000 1.196 454 I CB 0.498 38.491 38.000 -0.012 0.000 1.095 454 I HN 0.321 nan 8.210 nan 0.000 0.411 455 I N 0.269 120.707 120.570 -0.221 0.000 2.656 455 I HA 0.357 4.535 4.170 0.013 0.000 0.292 455 I C -1.583 174.430 176.117 -0.172 0.000 1.144 455 I CA -0.331 60.880 61.300 -0.147 0.000 1.038 455 I CB 2.017 40.024 38.000 0.013 0.000 1.244 455 I HN 0.020 nan 8.210 nan 0.000 0.420 456 W N 4.246 125.601 121.300 0.092 0.000 2.469 456 W HA 0.607 5.274 4.660 0.011 0.000 0.320 456 W C 0.407 176.995 176.519 0.115 0.000 1.086 456 W CA -0.675 56.729 57.345 0.098 0.000 1.211 456 W CB 1.750 31.265 29.460 0.091 0.000 1.298 456 W HN 0.316 nan 8.180 nan 0.000 0.525 457 S N 3.261 119.191 115.700 0.382 0.000 2.472 457 S HA 0.395 4.873 4.470 0.013 0.000 0.303 457 S C 0.292 175.061 174.600 0.282 0.000 1.099 457 S CA -0.693 57.681 58.200 0.290 0.000 1.077 457 S CB 0.763 64.085 63.200 0.203 0.000 1.031 457 S HN 0.588 nan 8.310 nan 0.000 0.487 458 L N 4.426 125.809 121.223 0.266 0.000 2.627 458 L HA 0.342 4.690 4.340 0.013 0.000 0.233 458 L C 1.358 178.289 176.870 0.100 0.000 1.144 458 L CA 0.478 55.395 54.840 0.129 0.000 0.892 458 L CB -1.011 41.034 42.059 -0.024 0.000 1.039 458 L HN 1.000 nan 8.230 nan 0.000 0.442 459 G N 0.074 109.015 108.800 0.234 0.000 2.265 459 G HA2 -0.131 3.837 3.960 0.013 0.000 0.246 459 G HA3 -0.131 3.837 3.960 0.013 0.000 0.246 459 G C -1.612 173.477 174.900 0.315 0.000 1.299 459 G CA -0.488 44.757 45.100 0.242 0.000 1.117 459 G HN 0.199 nan 8.290 nan 0.000 0.485 460 N N 0.050 118.874 118.700 0.206 0.000 2.367 460 N HA 0.463 5.211 4.740 0.013 0.000 0.278 460 N C -0.430 175.018 175.510 -0.104 0.000 1.117 460 N CA 0.158 53.175 53.050 -0.056 0.000 0.867 460 N CB 1.492 39.641 38.487 -0.562 0.000 1.649 460 N HN 0.921 nan 8.380 nan 0.000 0.479 461 E N 0.776 120.820 120.200 -0.260 0.000 2.160 461 E HA -0.184 4.174 4.350 0.013 0.000 0.180 461 E C -0.805 175.704 176.600 -0.152 0.000 1.452 461 E CA 0.851 57.028 56.400 -0.371 0.000 0.683 461 E CB -1.446 27.776 29.700 -0.797 0.000 1.072 461 E HN 0.459 nan 8.360 nan 0.000 0.332 462 S N -0.006 115.755 115.700 0.102 0.000 2.843 462 S HA 0.425 4.903 4.470 0.013 0.000 0.249 462 S C 0.769 175.530 174.600 0.268 0.000 1.047 462 S CA -0.242 58.076 58.200 0.196 0.000 1.042 462 S CB 1.360 64.713 63.200 0.254 0.000 0.936 462 S HN 0.851 nan 8.310 nan 0.000 0.531 463 G N 2.013 110.893 108.800 0.134 0.000 2.575 463 G HA2 -0.271 3.697 3.960 0.013 0.000 0.267 463 G HA3 -0.271 3.697 3.960 0.013 0.000 0.267 463 G C -0.511 174.548 174.900 0.266 0.000 1.264 463 G CA -0.128 45.048 45.100 0.128 0.000 0.935 463 G HN 0.624 nan 8.290 nan 0.000 0.568 464 H N 0.727 119.900 119.070 0.170 0.000 2.906 464 H HA 0.572 5.136 4.556 0.014 0.000 0.324 464 H C 0.320 175.822 175.328 0.291 0.000 0.973 464 H CA 0.126 56.313 56.048 0.232 0.000 1.321 464 H CB 0.665 30.499 29.762 0.119 0.000 1.535 464 H HN 1.050 nan 8.280 nan 0.000 0.518 465 G N 1.515 110.277 108.800 -0.063 0.000 2.511 465 G HA2 0.454 4.422 3.960 0.013 0.000 0.318 465 G HA3 0.454 4.422 3.960 0.013 0.000 0.318 465 G C 0.602 175.322 174.900 -0.300 0.000 1.210 465 G CA -0.131 44.855 45.100 -0.191 0.000 0.969 465 G HN 0.662 nan 8.290 nan 0.000 0.484 466 A N 0.447 123.166 122.820 -0.168 0.000 2.070 466 A HA -0.075 4.253 4.320 0.013 0.000 0.220 466 A C 2.073 179.612 177.584 -0.076 0.000 1.159 466 A CA 1.642 53.627 52.037 -0.087 0.000 0.656 466 A CB -0.354 18.630 19.000 -0.028 0.000 0.800 466 A HN 0.524 nan 8.150 nan 0.000 0.453 467 N N -0.291 118.321 118.700 -0.148 0.000 2.309 467 N HA -0.118 4.630 4.740 0.013 0.000 0.182 467 N C 1.313 176.725 175.510 -0.162 0.000 1.018 467 N CA 1.504 54.457 53.050 -0.161 0.000 0.876 467 N CB -0.587 37.763 38.487 -0.228 0.000 0.972 467 N HN 0.776 nan 8.380 nan 0.000 0.434 468 H N 0.239 119.235 119.070 -0.123 0.000 2.326 468 H HA -0.010 4.554 4.556 0.013 0.000 0.301 468 H C 1.249 176.613 175.328 0.059 0.000 1.081 468 H CA 1.286 57.273 56.048 -0.102 0.000 1.334 468 H CB 0.161 29.829 29.762 -0.157 0.000 1.385 468 H HN 0.147 nan 8.280 nan 0.000 0.504 469 D N 0.310 120.827 120.400 0.196 0.000 2.117 469 D HA -0.117 4.530 4.640 0.013 0.000 0.197 469 D C 2.292 178.741 176.300 0.249 0.000 0.987 469 D CA 1.170 55.314 54.000 0.240 0.000 0.829 469 D CB -0.420 40.495 40.800 0.192 0.000 0.961 469 D HN 0.417 nan 8.370 nan 0.000 0.460 470 A N 0.757 123.667 122.820 0.149 0.000 1.902 470 A HA -0.127 4.201 4.320 0.013 0.000 0.217 470 A C 2.406 180.090 177.584 0.166 0.000 1.181 470 A CA 0.978 53.095 52.037 0.134 0.000 0.623 470 A CB -0.753 18.284 19.000 0.060 0.000 0.818 470 A HN 0.213 nan 8.150 nan 0.000 0.443 471 L N -2.196 119.105 121.223 0.130 0.000 2.093 471 L HA -0.152 4.196 4.340 0.013 0.000 0.208 471 L C 2.582 179.586 176.870 0.223 0.000 1.085 471 L CA 1.575 56.489 54.840 0.123 0.000 0.755 471 L CB -0.752 41.306 42.059 -0.001 0.000 0.904 471 L HN 0.584 nan 8.230 nan 0.000 0.435 472 Y N 1.343 121.724 120.300 0.135 0.000 2.128 472 Y HA -0.334 4.222 4.550 0.010 0.000 0.284 472 Y C 2.832 178.821 175.900 0.148 0.000 1.154 472 Y CA 1.791 59.981 58.100 0.149 0.000 1.149 472 Y CB -0.194 38.358 38.460 0.153 0.000 0.976 472 Y HN -0.031 nan 8.280 nan 0.000 0.505 473 R N -0.130 120.464 120.500 0.156 0.000 2.073 473 R HA -0.227 4.121 4.340 0.013 0.000 0.234 473 R C 2.083 178.384 176.300 0.000 0.000 1.134 473 R CA 2.137 58.267 56.100 0.049 0.000 0.952 473 R CB -1.593 28.811 30.300 0.174 0.000 0.850 473 R HN 0.637 nan 8.270 nan 0.000 0.433 474 W N 0.586 121.839 121.300 -0.078 0.000 2.317 474 W HA -0.202 4.466 4.660 0.013 0.000 0.318 474 W C 1.798 178.227 176.519 -0.150 0.000 1.227 474 W CA 2.193 59.481 57.345 -0.096 0.000 1.269 474 W CB -0.357 29.052 29.460 -0.086 0.000 1.155 474 W HN 0.099 nan 8.180 nan 0.000 0.484 475 I N 0.791 121.432 120.570 0.119 0.000 2.127 475 I HA -0.380 3.798 4.170 0.013 0.000 0.241 475 I C 2.451 178.409 176.117 -0.266 0.000 1.075 475 I CA 1.609 62.843 61.300 -0.110 0.000 1.334 475 I CB -0.778 37.202 38.000 -0.034 0.000 1.040 475 I HN -0.042 nan 8.210 nan 0.000 0.405 476 K N 0.658 120.889 120.400 -0.281 0.000 2.160 476 K HA -0.137 4.191 4.320 0.013 0.000 0.206 476 K C 2.163 178.631 176.600 -0.220 0.000 1.047 476 K CA 1.515 57.648 56.287 -0.256 0.000 0.930 476 K CB -0.482 31.821 32.500 -0.329 0.000 0.720 476 K HN 0.311 nan 8.250 nan 0.000 0.450 477 S N 0.735 116.268 115.700 -0.278 0.000 2.377 477 S HA -0.033 4.445 4.470 0.013 0.000 0.223 477 S C 2.232 176.619 174.600 -0.356 0.000 1.030 477 S CA 0.636 58.673 58.200 -0.272 0.000 0.970 477 S CB -0.074 62.964 63.200 -0.270 0.000 0.830 477 S HN -0.000 nan 8.310 nan 0.000 0.473 478 V N 1.457 121.021 119.914 -0.583 0.000 2.453 478 V HA -0.009 4.119 4.120 0.013 0.000 0.247 478 V C 0.532 176.410 176.094 -0.360 0.000 1.048 478 V CA 1.392 63.323 62.300 -0.616 0.000 1.049 478 V CB -0.242 30.867 31.823 -1.189 0.000 0.672 478 V HN 0.433 nan 8.190 nan 0.000 0.457 479 D N -0.998 119.244 120.400 -0.263 0.000 2.429 479 D HA 0.238 4.886 4.640 0.013 0.000 0.255 479 D C -2.181 174.122 176.300 0.006 0.000 1.257 479 D CA -1.572 52.380 54.000 -0.081 0.000 0.890 479 D CB 1.514 42.338 40.800 0.041 0.000 1.267 479 D HN 0.089 nan 8.370 nan 0.000 0.521 480 P HA -0.038 nan 4.420 nan 0.000 0.242 480 P C 1.165 178.491 177.300 0.043 0.000 1.197 480 P CA 0.430 63.531 63.100 0.002 0.000 0.765 480 P CB 0.101 31.793 31.700 -0.013 0.000 0.936 481 S N -1.087 114.648 115.700 0.058 0.000 2.481 481 S HA 0.011 4.489 4.470 0.013 0.000 0.231 481 S C 0.907 175.539 174.600 0.053 0.000 0.996 481 S CA 0.007 58.243 58.200 0.061 0.000 0.942 481 S CB -0.412 62.819 63.200 0.052 0.000 0.768 481 S HN 0.104 nan 8.310 nan 0.000 0.520 482 R N 1.136 121.678 120.500 0.070 0.000 2.686 482 R HA 0.585 4.933 4.340 0.013 0.000 0.286 482 R C -3.188 173.163 176.300 0.084 0.000 0.969 482 R CA -2.365 53.744 56.100 0.015 0.000 0.898 482 R CB 1.263 31.453 30.300 -0.185 0.000 1.183 482 R HN 0.138 nan 8.270 nan 0.000 0.456 483 P HA 0.084 nan 4.420 nan 0.000 0.272 483 P C -0.854 176.553 177.300 0.179 0.000 1.230 483 P CA -0.371 62.795 63.100 0.110 0.000 0.788 483 P CB 0.677 32.426 31.700 0.081 0.000 0.949 484 V N 2.524 122.582 119.914 0.240 0.000 2.448 484 V HA 0.395 4.523 4.120 0.013 0.000 0.295 484 V C 0.184 176.475 176.094 0.328 0.000 1.025 484 V CA -0.309 62.186 62.300 0.326 0.000 0.859 484 V CB 1.073 33.087 31.823 0.318 0.000 0.988 484 V HN 0.608 nan 8.190 nan 0.000 0.431 485 Q N 4.065 124.033 119.800 0.280 0.000 2.458 485 Q HA 0.830 5.178 4.340 0.013 0.000 0.282 485 Q C -1.817 174.352 176.000 0.282 0.000 1.106 485 Q CA -0.941 54.993 55.803 0.218 0.000 0.814 485 Q CB 3.023 31.834 28.738 0.121 0.000 1.425 485 Q HN 0.624 nan 8.270 nan 0.000 0.437 486 Y N -0.232 120.087 120.300 0.030 0.000 2.465 486 Y HA 0.170 4.727 4.550 0.012 0.000 0.323 486 Y C -0.711 175.142 175.900 -0.078 0.000 1.191 486 Y CA -0.720 57.369 58.100 -0.019 0.000 1.082 486 Y CB 2.128 40.574 38.460 -0.024 0.000 1.334 486 Y HN 0.946 nan 8.280 nan 0.000 0.449 487 E N 3.150 122.864 120.200 -0.810 0.000 2.415 487 E HA 0.169 4.527 4.350 0.013 0.000 0.197 487 E C 0.589 176.735 176.600 -0.757 0.000 1.007 487 E CA 0.586 56.608 56.400 -0.631 0.000 0.890 487 E CB 0.353 29.803 29.700 -0.417 0.000 0.891 487 E HN 0.895 nan 8.360 nan 0.000 0.496 488 G N 0.120 108.052 108.800 -1.446 0.000 2.474 488 G HA2 0.209 4.177 3.960 0.013 0.000 0.233 488 G HA3 0.209 4.177 3.960 0.013 0.000 0.233 488 G C 0.819 175.564 174.900 -0.258 0.000 1.278 488 G CA 0.319 44.992 45.100 -0.712 0.000 0.861 488 G HN 0.329 nan 8.290 nan 0.000 0.567 489 G N -0.198 108.547 108.800 -0.091 0.000 2.176 489 G HA2 0.230 4.198 3.960 0.013 0.000 0.252 489 G HA3 0.230 4.198 3.960 0.013 0.000 0.252 489 G C 1.254 176.150 174.900 -0.007 0.000 1.024 489 G CA 0.992 46.102 45.100 0.018 0.000 0.755 489 G HN 2.616 nan 8.290 nan 0.000 0.507 490 G N -1.606 107.186 108.800 -0.013 0.000 2.205 490 G HA2 0.413 4.381 3.960 0.013 0.000 0.180 490 G HA3 0.413 4.381 3.960 0.013 0.000 0.180 490 G C 1.178 176.176 174.900 0.164 0.000 1.004 490 G CA 1.246 46.397 45.100 0.086 0.000 0.670 490 G HN 2.330 nan 8.290 nan 0.000 0.496 491 A N -0.149 122.658 122.820 -0.022 0.000 3.100 491 A HA -0.078 4.249 4.320 0.013 0.000 0.268 491 A C 1.030 178.549 177.584 -0.108 0.000 1.227 491 A CA 2.653 54.620 52.037 -0.117 0.000 0.967 491 A CB -1.750 17.155 19.000 -0.159 0.000 1.066 491 A HN 2.155 nan 8.150 nan 0.000 0.787 492 D N -1.528 118.883 120.400 0.018 0.000 2.822 492 D HA 0.301 4.949 4.640 0.013 0.000 0.327 492 D C 0.264 176.557 176.300 -0.011 0.000 1.577 492 D CA 0.685 54.707 54.000 0.036 0.000 0.785 492 D CB -1.130 39.835 40.800 0.275 0.000 1.199 492 D HN 0.791 nan 8.370 nan 0.000 0.443 493 T N -2.584 111.896 114.554 -0.122 0.000 2.754 493 T HA 0.295 4.653 4.350 0.013 0.000 0.286 493 T C 1.537 176.097 174.700 -0.233 0.000 0.997 493 T CA 0.247 62.193 62.100 -0.257 0.000 0.982 493 T CB 1.111 69.616 68.868 -0.605 0.000 1.027 493 T HN 0.068 nan 8.240 nan 0.000 0.529 494 T N -2.256 112.150 114.554 -0.246 0.000 3.163 494 T HA 0.211 4.569 4.350 0.013 0.000 0.260 494 T C 1.452 175.906 174.700 -0.409 0.000 1.156 494 T CA 0.231 62.201 62.100 -0.217 0.000 1.072 494 T CB -0.494 68.320 68.868 -0.090 0.000 0.937 494 T HN 0.831 nan 8.240 nan 0.000 0.528 495 A N 0.441 123.065 122.820 -0.327 0.000 2.460 495 A HA 0.513 4.841 4.320 0.013 0.000 0.258 495 A C 0.795 178.198 177.584 -0.302 0.000 1.300 495 A CA -0.348 51.458 52.037 -0.385 0.000 0.913 495 A CB 0.110 19.197 19.000 0.146 0.000 1.031 495 A HN 0.412 nan 8.150 nan 0.000 0.512 496 T N -1.396 112.990 114.554 -0.281 0.000 2.952 496 T HA 0.365 4.723 4.350 0.013 0.000 0.305 496 T C -0.563 174.147 174.700 0.018 0.000 1.064 496 T CA -0.422 61.669 62.100 -0.015 0.000 1.008 496 T CB 1.264 70.135 68.868 0.006 0.000 1.078 496 T HN 0.080 nan 8.240 nan 0.000 0.459 497 D N 2.781 123.279 120.400 0.163 0.000 2.347 497 D HA 0.255 4.903 4.640 0.013 0.000 0.213 497 D C 0.373 176.707 176.300 0.056 0.000 0.985 497 D CA 0.759 54.844 54.000 0.142 0.000 0.879 497 D CB 0.346 41.266 40.800 0.200 0.000 0.919 497 D HN 0.546 nan 8.370 nan 0.000 0.526 498 I N 0.890 121.473 120.570 0.023 0.000 2.545 498 I HA 0.259 4.436 4.170 0.013 0.000 0.292 498 I C -0.167 175.882 176.117 -0.113 0.000 1.040 498 I CA -0.918 60.361 61.300 -0.035 0.000 1.068 498 I CB 2.756 40.750 38.000 -0.009 0.000 1.251 498 I HN -0.349 nan 8.210 nan 0.000 0.424 499 I N 5.775 126.231 120.570 -0.190 0.000 2.494 499 I HA 0.037 4.214 4.170 0.013 0.000 0.289 499 I C 0.243 176.145 176.117 -0.358 0.000 1.106 499 I CA 0.045 61.127 61.300 -0.364 0.000 1.369 499 I CB 0.109 37.764 38.000 -0.573 0.000 1.410 499 I HN 0.679 nan 8.210 nan 0.000 0.523 500 C N 5.802 124.910 119.300 -0.320 0.000 3.276 500 C HA 0.500 4.968 4.460 0.013 0.000 0.226 500 C C -2.121 172.733 174.990 -0.227 0.000 1.502 500 C CA -2.254 56.631 59.018 -0.223 0.000 1.488 500 C CB -0.962 26.708 27.740 -0.117 0.000 2.014 500 C HN 0.408 nan 8.230 nan 0.000 0.492 501 P HA 0.347 nan 4.420 nan 0.000 0.275 501 P C -0.455 176.785 177.300 -0.101 0.000 1.266 501 P CA 0.088 63.089 63.100 -0.164 0.000 0.793 501 P CB 0.771 32.410 31.700 -0.101 0.000 1.074 502 M N -0.201 119.355 119.600 -0.074 0.000 2.181 502 M HA 0.441 4.928 4.480 0.013 0.000 0.323 502 M C -0.879 175.387 176.300 -0.057 0.000 1.004 502 M CA -0.642 54.496 55.300 -0.271 0.000 0.941 502 M CB 1.117 33.501 32.600 -0.359 0.000 1.579 502 M HN 0.347 nan 8.290 nan 0.000 0.427 503 Y N -0.118 120.344 120.300 0.270 0.000 4.490 503 Y HA -0.217 4.341 4.550 0.014 0.000 0.233 503 Y C 0.494 176.562 175.900 0.281 0.000 1.101 503 Y CA 0.397 58.660 58.100 0.271 0.000 2.010 503 Y CB -2.314 36.272 38.460 0.210 0.000 1.622 503 Y HN 0.973 nan 8.280 nan 0.000 0.675 504 A N 1.238 124.271 122.820 0.355 0.000 2.488 504 A HA 0.519 4.847 4.320 0.013 0.000 0.249 504 A C 0.737 178.541 177.584 0.367 0.000 1.083 504 A CA -0.361 51.888 52.037 0.353 0.000 0.768 504 A CB 0.310 19.558 19.000 0.412 0.000 1.017 504 A HN 0.436 nan 8.150 nan 0.000 0.496 505 R N 1.696 122.343 120.500 0.245 0.000 2.583 505 R HA 0.334 4.682 4.340 0.013 0.000 0.268 505 R C 1.100 177.372 176.300 -0.047 0.000 1.101 505 R CA -0.718 55.460 56.100 0.130 0.000 1.180 505 R CB 0.557 30.899 30.300 0.070 0.000 1.128 505 R HN 0.485 nan 8.270 nan 0.000 0.568 506 V N 0.732 120.447 119.914 -0.331 0.000 2.244 506 V HA -0.228 3.899 4.120 0.013 0.000 0.244 506 V C 1.053 177.026 176.094 -0.202 0.000 1.042 506 V CA 1.923 63.984 62.300 -0.397 0.000 1.006 506 V CB -0.256 31.194 31.823 -0.621 0.000 0.641 506 V HN 0.747 nan 8.190 nan 0.000 0.446 507 D N -1.373 118.940 120.400 -0.145 0.000 2.423 507 D HA 0.083 4.731 4.640 0.013 0.000 0.212 507 D C 0.991 177.274 176.300 -0.029 0.000 1.060 507 D CA 0.089 54.042 54.000 -0.078 0.000 0.872 507 D CB 0.500 41.260 40.800 -0.067 0.000 1.012 507 D HN 0.502 nan 8.370 nan 0.000 0.503 508 E N 1.838 122.026 120.200 -0.020 0.000 2.229 508 E HA 0.089 4.447 4.350 0.013 0.000 0.283 508 E C -0.750 175.852 176.600 0.004 0.000 1.030 508 E CA -0.565 55.832 56.400 -0.004 0.000 0.836 508 E CB 0.879 30.578 29.700 -0.002 0.000 1.068 508 E HN -0.173 nan 8.360 nan 0.000 0.401 509 D N 3.461 123.865 120.400 0.007 0.000 2.329 509 D HA 0.156 4.803 4.640 0.013 0.000 0.246 509 D C -0.597 175.594 176.300 -0.181 0.000 1.111 509 D CA 0.164 54.165 54.000 0.001 0.000 0.941 509 D CB 1.126 42.016 40.800 0.149 0.000 1.169 509 D HN 0.413 nan 8.370 nan 0.000 0.441 510 Q N 0.948 120.499 119.800 -0.416 0.000 3.021 510 Q HA 0.229 4.577 4.340 0.013 0.000 0.234 510 Q C -2.336 173.000 176.000 -1.107 0.000 0.930 510 Q CA -1.375 53.958 55.803 -0.783 0.000 0.714 510 Q CB 2.500 30.721 28.738 -0.863 0.000 1.325 510 Q HN 0.157 nan 8.270 nan 0.000 0.473 511 P HA 0.018 nan 4.420 nan 0.000 0.225 511 P C -0.666 176.338 177.300 -0.493 0.000 1.768 511 P CA -0.076 62.600 63.100 -0.707 0.000 0.943 511 P CB -0.626 30.912 31.700 -0.269 0.000 1.936 512 F N 2.291 122.056 119.950 -0.308 0.000 2.563 512 F HA 0.145 4.680 4.527 0.012 0.000 0.363 512 F C -1.167 174.527 175.800 -0.177 0.000 1.123 512 F CA -2.314 55.571 58.000 -0.191 0.000 1.307 512 F CB -0.558 38.350 39.000 -0.154 0.000 1.115 512 F HN 0.071 nan 8.300 nan 0.000 0.592 513 P HA 0.097 nan 4.420 nan 0.000 0.268 513 P C 0.356 177.676 177.300 0.034 0.000 1.204 513 P CA 0.928 64.051 63.100 0.039 0.000 0.768 513 P CB 1.193 32.916 31.700 0.038 0.000 0.842 514 A N 2.959 125.791 122.820 0.021 0.000 2.070 514 A HA -0.252 4.076 4.320 0.013 0.000 0.231 514 A C 0.739 178.331 177.584 0.014 0.000 0.501 514 A CA 1.996 54.047 52.037 0.023 0.000 1.119 514 A CB -2.722 16.291 19.000 0.021 0.000 1.430 514 A HN 0.701 nan 8.150 nan 0.000 0.706 515 V N -2.959 116.960 119.914 0.008 0.000 2.454 515 V HA 0.564 4.691 4.120 0.013 0.000 0.255 515 V C -2.498 173.589 176.094 -0.013 0.000 1.009 515 V CA -1.304 60.998 62.300 0.003 0.000 1.149 515 V CB 0.596 32.422 31.823 0.004 0.000 1.418 515 V HN 0.476 nan 8.190 nan 0.000 0.567 516 P HA 0.273 nan 4.420 nan 0.000 0.272 516 P C -0.587 176.298 177.300 -0.692 0.000 1.223 516 P CA 0.104 62.840 63.100 -0.606 0.000 0.784 516 P CB 0.975 31.847 31.700 -1.379 0.000 0.923 517 K N 2.165 122.195 120.400 -0.617 0.000 2.423 517 K HA 0.205 4.533 4.320 0.013 0.000 0.234 517 K C -0.470 175.830 176.600 -0.501 0.000 1.051 517 K CA -0.275 55.822 56.287 -0.316 0.000 1.021 517 K CB 0.296 32.877 32.500 0.135 0.000 1.474 517 K HN 0.460 nan 8.250 nan 0.000 0.474 518 W N 1.431 122.458 121.300 -0.455 0.000 2.150 518 W HA 0.036 4.705 4.660 0.015 0.000 0.341 518 W C 1.318 177.839 176.519 0.004 0.000 1.276 518 W CA -0.500 56.649 57.345 -0.327 0.000 1.238 518 W CB 0.432 29.544 29.460 -0.581 0.000 1.128 518 W HN 0.363 nan 8.180 nan 0.000 0.581 519 S N 3.539 119.394 115.700 0.259 0.000 2.558 519 S HA -0.080 4.398 4.470 0.013 0.000 0.293 519 S C 1.192 175.933 174.600 0.234 0.000 1.292 519 S CA -0.143 58.152 58.200 0.159 0.000 1.063 519 S CB 0.166 63.406 63.200 0.066 0.000 0.831 519 S HN 0.517 nan 8.310 nan 0.000 0.499 520 I N 2.353 123.028 120.570 0.176 0.000 2.286 520 I HA -0.160 4.018 4.170 0.013 0.000 0.248 520 I C 2.077 178.212 176.117 0.030 0.000 1.115 520 I CA 1.269 62.675 61.300 0.176 0.000 1.392 520 I CB -0.468 37.580 38.000 0.080 0.000 1.065 520 I HN 0.611 nan 8.210 nan 0.000 0.418 521 K N 1.546 121.854 120.400 -0.154 0.000 2.057 521 K HA -0.178 4.150 4.320 0.013 0.000 0.207 521 K C 2.306 178.876 176.600 -0.050 0.000 1.049 521 K CA 1.745 57.832 56.287 -0.333 0.000 0.931 521 K CB -0.257 31.968 32.500 -0.459 0.000 0.714 521 K HN 0.393 nan 8.250 nan 0.000 0.440 522 K N 0.388 120.798 120.400 0.017 0.000 2.057 522 K HA -0.188 4.140 4.320 0.013 0.000 0.206 522 K C 1.937 178.572 176.600 0.057 0.000 1.050 522 K CA 1.001 57.295 56.287 0.011 0.000 0.935 522 K CB -0.112 32.361 32.500 -0.044 0.000 0.715 522 K HN 0.227 nan 8.250 nan 0.000 0.439 523 W N 2.174 123.473 121.300 -0.001 0.000 2.318 523 W HA -0.233 4.432 4.660 0.008 0.000 0.313 523 W C 1.739 178.257 176.519 -0.002 0.000 1.221 523 W CA 1.275 58.645 57.345 0.040 0.000 1.266 523 W CB -0.738 28.808 29.460 0.143 0.000 1.150 523 W HN 0.112 nan 8.180 nan 0.000 0.496 524 L N 0.709 122.100 121.223 0.281 0.000 2.081 524 L HA -0.254 4.094 4.340 0.013 0.000 0.212 524 L C 2.265 179.211 176.870 0.126 0.000 1.080 524 L CA 2.087 57.025 54.840 0.163 0.000 0.754 524 L CB -1.068 41.071 42.059 0.133 0.000 0.893 524 L HN 0.014 nan 8.230 nan 0.000 0.433 525 S N -1.292 114.466 115.700 0.095 0.000 2.614 525 S HA 0.232 4.710 4.470 0.013 0.000 0.230 525 S C 0.558 175.155 174.600 -0.006 0.000 0.952 525 S CA -0.526 57.701 58.200 0.045 0.000 0.949 525 S CB -0.475 62.752 63.200 0.044 0.000 0.786 525 S HN 0.160 nan 8.310 nan 0.000 0.478 526 L N 2.190 123.406 121.223 -0.012 0.000 2.514 526 L HA 0.214 4.562 4.340 0.013 0.000 0.280 526 L C -2.203 174.644 176.870 -0.039 0.000 1.223 526 L CA -1.637 53.151 54.840 -0.087 0.000 0.864 526 L CB -0.234 41.756 42.059 -0.116 0.000 1.118 526 L HN 0.037 nan 8.230 nan 0.000 0.494 527 P HA -0.052 nan 4.420 nan 0.000 0.260 527 P C 0.788 178.083 177.300 -0.008 0.000 1.172 527 P CA 1.071 64.151 63.100 -0.034 0.000 0.760 527 P CB 0.539 32.212 31.700 -0.044 0.000 0.773 528 G N 1.787 110.589 108.800 0.003 0.000 2.212 528 G HA2 -0.298 3.670 3.960 0.013 0.000 0.266 528 G HA3 -0.298 3.670 3.960 0.013 0.000 0.266 528 G C 0.313 175.232 174.900 0.032 0.000 0.978 528 G CA 0.302 45.412 45.100 0.017 0.000 0.632 528 G HN 0.617 nan 8.290 nan 0.000 0.537 529 E N 0.902 121.128 120.200 0.043 0.000 2.338 529 E HA 0.587 4.945 4.350 0.013 0.000 0.272 529 E C 1.412 178.043 176.600 0.051 0.000 1.029 529 E CA 0.684 57.124 56.400 0.067 0.000 0.872 529 E CB 0.775 30.547 29.700 0.120 0.000 1.015 529 E HN 0.519 nan 8.360 nan 0.000 0.417 530 T N 0.437 115.016 114.554 0.043 0.000 3.041 530 T HA 0.316 4.674 4.350 0.013 0.000 0.276 530 T C 0.495 175.209 174.700 0.023 0.000 0.948 530 T CA -0.463 61.657 62.100 0.032 0.000 0.885 530 T CB 0.066 68.951 68.868 0.029 0.000 1.175 530 T HN 0.267 nan 8.240 nan 0.000 0.529 531 R N 2.582 123.091 120.500 0.015 0.000 2.738 531 R HA 0.414 4.762 4.340 0.013 0.000 0.268 531 R C -2.507 173.776 176.300 -0.029 0.000 1.062 531 R CA -1.499 54.597 56.100 -0.007 0.000 1.158 531 R CB -0.020 30.268 30.300 -0.021 0.000 1.046 531 R HN 0.261 nan 8.270 nan 0.000 0.493 532 P HA 0.136 nan 4.420 nan 0.000 0.278 532 P C -1.090 176.146 177.300 -0.107 0.000 1.258 532 P CA -0.282 62.782 63.100 -0.059 0.000 0.811 532 P CB 0.791 32.458 31.700 -0.055 0.000 1.063 533 L N 2.239 123.382 121.223 -0.132 0.000 2.376 533 L HA 0.558 4.906 4.340 0.013 0.000 0.275 533 L C -1.024 175.722 176.870 -0.206 0.000 0.987 533 L CA -0.657 54.066 54.840 -0.194 0.000 0.828 533 L CB 0.701 42.637 42.059 -0.205 0.000 1.249 533 L HN 0.226 nan 8.230 nan 0.000 0.409 534 I N 5.686 126.141 120.570 -0.192 0.000 2.468 534 I HA 0.264 4.441 4.170 0.013 0.000 0.284 534 I C -0.712 175.337 176.117 -0.113 0.000 1.038 534 I CA -0.538 60.643 61.300 -0.199 0.000 1.083 534 I CB 1.861 39.796 38.000 -0.107 0.000 1.223 534 I HN 0.444 nan 8.210 nan 0.000 0.443 535 L N 5.660 126.789 121.223 -0.157 0.000 2.513 535 L HA 0.013 4.361 4.340 0.013 0.000 0.272 535 L C 1.555 178.525 176.870 0.167 0.000 1.187 535 L CA -0.123 54.688 54.840 -0.048 0.000 0.895 535 L CB 0.461 42.476 42.059 -0.073 0.000 1.147 535 L HN 0.869 nan 8.230 nan 0.000 0.483 536 C N 0.398 119.764 119.300 0.111 0.000 2.446 536 C HA 0.102 4.570 4.460 0.013 0.000 0.279 536 C C 0.650 175.781 174.990 0.235 0.000 1.366 536 C CA -0.056 59.055 59.018 0.154 0.000 1.763 536 C CB -1.046 26.691 27.740 -0.004 0.000 1.929 536 C HN 0.845 nan 8.230 nan 0.000 0.509 537 E N -0.964 119.301 120.200 0.109 0.000 2.321 537 E HA 0.629 4.987 4.350 0.013 0.000 0.281 537 E C -1.215 175.326 176.600 -0.099 0.000 0.910 537 E CA -0.390 56.055 56.400 0.075 0.000 0.770 537 E CB 1.888 31.494 29.700 -0.157 0.000 1.225 537 E HN 0.667 nan 8.360 nan 0.000 0.417 538 Y N -0.698 119.595 120.300 -0.012 0.000 2.689 538 Y HA 0.619 5.178 4.550 0.015 0.000 0.333 538 Y C -0.736 175.343 175.900 0.298 0.000 1.208 538 Y CA -0.860 57.256 58.100 0.027 0.000 1.055 538 Y CB 0.912 39.258 38.460 -0.191 0.000 1.304 538 Y HN 0.686 nan 8.280 nan 0.000 0.455 539 A N 2.190 125.072 122.820 0.103 0.000 2.362 539 A HA -0.277 4.051 4.320 0.013 0.000 0.290 539 A C -0.307 177.393 177.584 0.194 0.000 1.441 539 A CA 1.156 53.242 52.037 0.082 0.000 0.743 539 A CB -2.458 16.505 19.000 -0.062 0.000 1.125 539 A HN 1.091 nan 8.150 nan 0.000 0.378 540 H N 0.820 120.038 119.070 0.248 0.000 3.253 540 H HA 0.263 4.827 4.556 0.013 0.000 0.250 540 H C 1.145 176.531 175.328 0.097 0.000 1.051 540 H CA 0.820 57.020 56.048 0.253 0.000 1.458 540 H CB 0.303 30.125 29.762 0.101 0.000 1.549 540 H HN 0.759 nan 8.280 nan 0.000 0.506 541 A N 6.579 129.294 122.820 -0.175 0.000 2.426 541 A HA 0.021 4.349 4.320 0.013 0.000 0.247 541 A C 1.067 178.497 177.584 -0.256 0.000 1.389 541 A CA -0.336 51.576 52.037 -0.209 0.000 1.129 541 A CB -0.765 18.098 19.000 -0.228 0.000 0.928 541 A HN 0.812 nan 8.150 nan 0.000 0.557 542 M N 1.241 120.671 119.600 -0.282 0.000 2.156 542 M HA 0.440 4.928 4.480 0.013 0.000 0.345 542 M C 0.973 177.113 176.300 -0.267 0.000 1.398 542 M CA 1.162 56.312 55.300 -0.251 0.000 1.148 542 M CB -0.353 32.141 32.600 -0.177 0.000 1.663 542 M HN 0.781 nan 8.290 nan 0.000 0.464 543 G N 4.587 113.208 108.800 -0.299 0.000 2.583 543 G HA2 -0.361 3.607 3.960 0.013 0.000 0.292 543 G HA3 -0.361 3.607 3.960 0.013 0.000 0.292 543 G C -0.134 174.245 174.900 -0.868 0.000 1.203 543 G CA 0.277 45.009 45.100 -0.613 0.000 0.987 543 G HN 0.849 nan 8.290 nan 0.000 0.554 544 N N 1.575 119.620 118.700 -1.091 0.000 2.549 544 N HA 0.516 5.264 4.740 0.013 0.000 0.267 544 N C -0.096 175.165 175.510 -0.414 0.000 1.182 544 N CA 1.088 53.671 53.050 -0.778 0.000 1.019 544 N CB 0.328 38.377 38.487 -0.731 0.000 1.380 544 N HN 0.743 nan 8.380 nan 0.000 0.505 545 S N 1.696 117.236 115.700 -0.267 0.000 2.903 545 S HA 0.631 5.109 4.470 0.013 0.000 0.314 545 S C -0.308 174.227 174.600 -0.110 0.000 1.177 545 S CA -0.404 57.694 58.200 -0.170 0.000 0.859 545 S CB 0.291 63.404 63.200 -0.146 0.000 1.265 545 S HN 0.367 nan 8.310 nan 0.000 0.584 546 L N 0.150 121.337 121.223 -0.060 0.000 4.456 546 L HA -0.044 4.304 4.340 0.013 0.000 0.394 546 L C 0.383 177.291 176.870 0.064 0.000 1.078 546 L CA 0.837 55.663 54.840 -0.023 0.000 1.085 546 L CB -1.675 40.276 42.059 -0.179 0.000 2.131 546 L HN 0.691 nan 8.230 nan 0.000 0.635 547 G N -0.892 107.919 108.800 0.019 0.000 2.364 547 G HA2 0.510 4.478 3.960 0.013 0.000 0.267 547 G HA3 0.510 4.478 3.960 0.013 0.000 0.267 547 G C 1.190 176.126 174.900 0.060 0.000 1.233 547 G CA 0.216 45.302 45.100 -0.024 0.000 0.885 547 G HN 1.310 nan 8.290 nan 0.000 0.490 548 G N 1.700 110.526 108.800 0.042 0.000 2.175 548 G HA2 -0.309 3.659 3.960 0.013 0.000 0.244 548 G HA3 -0.309 3.659 3.960 0.013 0.000 0.244 548 G C 1.014 176.097 174.900 0.304 0.000 0.982 548 G CA 0.670 45.853 45.100 0.139 0.000 0.641 548 G HN 0.704 nan 8.290 nan 0.000 0.527 549 F N 1.976 122.046 119.950 0.200 0.000 2.095 549 F HA 0.141 4.677 4.527 0.014 0.000 0.298 549 F C 2.733 178.754 175.800 0.368 0.000 1.104 549 F CA 2.575 60.767 58.000 0.319 0.000 1.232 549 F CB -0.527 38.589 39.000 0.194 0.000 0.987 549 F HN 0.347 nan 8.300 nan 0.000 0.475 550 A N -0.358 122.629 122.820 0.278 0.000 1.978 550 A HA -0.259 4.069 4.320 0.013 0.000 0.220 550 A C 2.288 179.900 177.584 0.048 0.000 1.170 550 A CA 1.797 53.933 52.037 0.165 0.000 0.636 550 A CB -0.858 18.241 19.000 0.165 0.000 0.810 550 A HN 0.454 nan 8.150 nan 0.000 0.448 551 K N -1.644 118.766 120.400 0.017 0.000 2.152 551 K HA -0.192 4.135 4.320 0.013 0.000 0.206 551 K C 1.658 178.030 176.600 -0.380 0.000 1.048 551 K CA 1.714 57.919 56.287 -0.137 0.000 0.933 551 K CB -0.297 32.126 32.500 -0.129 0.000 0.721 551 K HN 0.607 nan 8.250 nan 0.000 0.447 552 Y N -0.945 119.073 120.300 -0.470 0.000 2.153 552 Y HA -0.201 4.356 4.550 0.012 0.000 0.289 552 Y C 2.013 176.958 175.900 -1.591 0.000 1.127 552 Y CA 1.413 58.855 58.100 -1.098 0.000 1.131 552 Y CB -0.398 37.441 38.460 -1.036 0.000 0.995 552 Y HN 0.136 nan 8.280 nan 0.000 0.505 553 W N 0.316 121.226 121.300 -0.650 0.000 2.321 553 W HA -0.261 4.408 4.660 0.015 0.000 0.306 553 W C 2.643 179.016 176.519 -0.243 0.000 1.217 553 W CA 1.738 58.866 57.345 -0.362 0.000 1.257 553 W CB -0.783 28.527 29.460 -0.250 0.000 1.145 553 W HN 0.075 nan 8.180 nan 0.000 0.509 554 Q N 0.748 120.455 119.800 -0.155 0.000 2.061 554 Q HA -0.211 4.136 4.340 0.013 0.000 0.204 554 Q C 2.231 178.164 176.000 -0.112 0.000 0.984 554 Q CA 2.386 58.134 55.803 -0.092 0.000 0.846 554 Q CB -0.848 27.863 28.738 -0.046 0.000 0.902 554 Q HN 0.279 nan 8.270 nan 0.000 0.421 555 A N -0.129 122.535 122.820 -0.261 0.000 1.898 555 A HA -0.112 4.216 4.320 0.013 0.000 0.216 555 A C 2.114 179.671 177.584 -0.046 0.000 1.181 555 A CA 1.153 53.078 52.037 -0.187 0.000 0.620 555 A CB -1.067 17.694 19.000 -0.398 0.000 0.819 555 A HN 0.473 nan 8.150 nan 0.000 0.442 556 F N -0.422 119.351 119.950 -0.295 0.000 2.095 556 F HA -0.244 4.290 4.527 0.012 0.000 0.298 556 F C 2.791 178.486 175.800 -0.174 0.000 1.104 556 F CA 1.292 59.087 58.000 -0.343 0.000 1.232 556 F CB -0.217 38.356 39.000 -0.711 0.000 0.987 556 F HN 0.150 nan 8.300 nan 0.000 0.475 557 R N 0.069 120.615 120.500 0.077 0.000 2.081 557 R HA -0.194 4.154 4.340 0.013 0.000 0.235 557 R C 2.203 178.530 176.300 0.045 0.000 1.131 557 R CA 1.432 57.560 56.100 0.047 0.000 0.960 557 R CB -0.447 29.879 30.300 0.042 0.000 0.856 557 R HN 0.380 nan 8.270 nan 0.000 0.436 558 Q N -0.509 119.345 119.800 0.089 0.000 2.172 558 Q HA -0.082 4.266 4.340 0.013 0.000 0.200 558 Q C -0.454 175.550 176.000 0.007 0.000 0.964 558 Q CA 0.979 56.822 55.803 0.067 0.000 0.855 558 Q CB 0.371 29.175 28.738 0.111 0.000 0.918 558 Q HN 0.202 nan 8.270 nan 0.000 0.444 559 Y N -0.028 120.251 120.300 -0.034 0.000 2.369 559 Y HA 0.247 4.803 4.550 0.011 0.000 0.337 559 Y C -1.758 174.117 175.900 -0.043 0.000 0.961 559 Y CA -2.776 55.305 58.100 -0.032 0.000 1.186 559 Y CB 1.429 39.875 38.460 -0.023 0.000 1.139 559 Y HN 0.106 nan 8.280 nan 0.000 0.494 560 P HA -0.222 nan 4.420 nan 0.000 0.214 560 P C 1.180 178.484 177.300 0.008 0.000 1.169 560 P CA 2.046 65.145 63.100 -0.002 0.000 0.908 560 P CB 0.296 31.980 31.700 -0.027 0.000 0.791 561 R N -1.175 119.351 120.500 0.043 0.000 2.285 561 R HA 0.010 4.357 4.340 0.013 0.000 0.213 561 R C 0.512 176.806 176.300 -0.010 0.000 1.068 561 R CA 0.311 56.424 56.100 0.021 0.000 1.004 561 R CB -0.718 29.602 30.300 0.033 0.000 0.873 561 R HN 0.247 nan 8.270 nan 0.000 0.467 562 L N 1.947 123.184 121.223 0.022 0.000 2.312 562 L HA 0.115 4.463 4.340 0.013 0.000 0.287 562 L C 0.406 177.151 176.870 -0.210 0.000 1.091 562 L CA 0.146 54.955 54.840 -0.053 0.000 0.846 562 L CB 1.090 43.189 42.059 0.068 0.000 1.219 562 L HN 0.089 nan 8.230 nan 0.000 0.439 563 Q N 3.067 122.669 119.800 -0.329 0.000 2.225 563 Q HA 0.355 4.703 4.340 0.013 0.000 0.259 563 Q C 0.793 176.376 176.000 -0.694 0.000 0.872 563 Q CA 0.031 55.592 55.803 -0.404 0.000 1.042 563 Q CB 1.089 29.683 28.738 -0.240 0.000 1.142 563 Q HN 0.943 nan 8.270 nan 0.000 0.463 564 G N -0.260 107.724 108.800 -1.359 0.000 2.451 564 G HA2 0.096 4.064 3.960 0.013 0.000 0.208 564 G HA3 0.096 4.064 3.960 0.013 0.000 0.208 564 G C -0.252 173.802 174.900 -1.409 0.000 1.248 564 G CA -0.710 43.183 45.100 -2.012 0.000 0.989 564 G HN 0.636 nan 8.290 nan 0.000 0.559 565 G N -2.280 105.988 108.800 -0.885 0.000 2.342 565 G HA2 0.646 4.614 3.960 0.013 0.000 0.297 565 G HA3 0.646 4.614 3.960 0.013 0.000 0.297 565 G C -1.841 172.994 174.900 -0.108 0.000 1.313 565 G CA -0.235 44.590 45.100 -0.457 0.000 0.830 565 G HN 1.162 nan 8.290 nan 0.000 0.506 566 F N 0.557 120.749 119.950 0.403 0.000 2.427 566 F HA 0.550 5.084 4.527 0.012 0.000 0.348 566 F C 0.731 176.861 175.800 0.550 0.000 1.125 566 F CA -0.787 57.493 58.000 0.467 0.000 0.989 566 F CB 2.030 41.198 39.000 0.280 0.000 1.165 566 F HN 0.249 nan 8.300 nan 0.000 0.442 567 V N 3.297 123.558 119.914 0.578 0.000 2.843 567 V HA -0.093 4.035 4.120 0.013 0.000 0.305 567 V C -0.344 175.939 176.094 0.315 0.000 1.065 567 V CA -0.287 62.158 62.300 0.242 0.000 1.116 567 V CB 0.947 32.888 31.823 0.197 0.000 0.968 567 V HN 0.776 nan 8.190 nan 0.000 0.487 568 W N 6.282 127.676 121.300 0.157 0.000 2.296 568 W HA 0.451 5.118 4.660 0.012 0.000 0.316 568 W C -0.984 175.548 176.519 0.022 0.000 1.022 568 W CA -0.719 56.742 57.345 0.193 0.000 1.324 568 W CB 1.339 31.064 29.460 0.442 0.000 1.227 568 W HN 0.915 nan 8.180 nan 0.000 0.409 569 D N 2.389 122.465 120.400 -0.540 0.000 2.895 569 D HA 0.115 4.762 4.640 0.013 0.000 0.320 569 D C 0.843 176.898 176.300 -0.409 0.000 1.249 569 D CA -0.559 53.026 54.000 -0.692 0.000 0.997 569 D CB 0.208 40.044 40.800 -1.606 0.000 1.430 569 D HN 0.373 nan 8.370 nan 0.000 0.558 570 W N 0.367 121.341 121.300 -0.543 0.000 2.381 570 W HA 0.089 4.757 4.660 0.013 0.000 0.321 570 W C -0.124 176.152 176.519 -0.405 0.000 1.196 570 W CA 1.279 58.357 57.345 -0.444 0.000 1.304 570 W CB 0.227 29.451 29.460 -0.394 0.000 1.166 570 W HN 0.141 nan 8.180 nan 0.000 0.473 571 V N 2.435 122.076 119.914 -0.455 0.000 2.656 571 V HA 0.211 4.339 4.120 0.013 0.000 0.307 571 V C -0.978 174.900 176.094 -0.360 0.000 1.051 571 V CA -0.756 61.247 62.300 -0.495 0.000 0.893 571 V CB 1.546 33.194 31.823 -0.292 0.000 0.999 571 V HN -0.110 nan 8.190 nan 0.000 0.426 572 D N 3.924 124.117 120.400 -0.344 0.000 2.493 572 D HA 0.091 4.739 4.640 0.013 0.000 0.240 572 D C 0.355 176.478 176.300 -0.294 0.000 1.142 572 D CA 0.713 54.571 54.000 -0.236 0.000 0.872 572 D CB 0.797 41.548 40.800 -0.082 0.000 1.173 572 D HN 0.583 nan 8.370 nan 0.000 0.467 573 Q N 1.286 120.852 119.800 -0.391 0.000 3.170 573 Q HA 0.136 4.483 4.340 0.013 0.000 0.346 573 Q C -0.076 175.879 176.000 -0.075 0.000 1.333 573 Q CA -0.331 55.027 55.803 -0.742 0.000 0.958 573 Q CB 0.023 28.432 28.738 -0.547 0.000 1.600 573 Q HN 0.362 nan 8.270 nan 0.000 0.482 574 S N -0.128 115.630 115.700 0.097 0.000 2.617 574 S HA 0.632 5.109 4.470 0.013 0.000 0.283 574 S C -0.156 174.632 174.600 0.315 0.000 1.189 574 S CA -0.797 57.584 58.200 0.302 0.000 1.036 574 S CB 1.376 64.735 63.200 0.265 0.000 1.014 574 S HN 0.340 nan 8.310 nan 0.000 0.522 575 L N 1.929 123.276 121.223 0.206 0.000 2.334 575 L HA 0.514 4.862 4.340 0.013 0.000 0.273 575 L C -0.432 176.360 176.870 -0.130 0.000 1.013 575 L CA -1.238 53.597 54.840 -0.009 0.000 0.816 575 L CB 1.377 43.309 42.059 -0.211 0.000 1.278 575 L HN 0.555 nan 8.230 nan 0.000 0.431 576 I N 2.512 122.944 120.570 -0.230 0.000 2.416 576 I HA 0.232 4.410 4.170 0.013 0.000 0.288 576 I C 0.191 175.880 176.117 -0.714 0.000 1.051 576 I CA 0.079 61.105 61.300 -0.457 0.000 1.375 576 I CB 0.817 38.564 38.000 -0.421 0.000 1.407 576 I HN 0.567 nan 8.210 nan 0.000 0.516 577 K N 5.283 124.982 120.400 -1.169 0.000 2.350 577 K HA 0.550 4.878 4.320 0.013 0.000 0.241 577 K C -1.448 174.283 176.600 -1.449 0.000 0.994 577 K CA -0.651 54.800 56.287 -1.393 0.000 0.839 577 K CB 2.182 33.520 32.500 -1.937 0.000 1.244 577 K HN 0.260 nan 8.250 nan 0.000 0.443 578 Y N 1.020 121.030 120.300 -0.483 0.000 2.364 578 Y HA 0.128 4.686 4.550 0.013 0.000 0.340 578 Y C 0.204 176.167 175.900 0.105 0.000 0.975 578 Y CA -0.995 57.016 58.100 -0.150 0.000 1.089 578 Y CB 1.299 39.700 38.460 -0.097 0.000 1.192 578 Y HN 0.692 nan 8.280 nan 0.000 0.454 579 D N 0.459 121.098 120.400 0.397 0.000 2.447 579 D HA 0.024 4.672 4.640 0.013 0.000 0.265 579 D C 0.768 177.182 176.300 0.189 0.000 1.250 579 D CA -0.315 53.883 54.000 0.330 0.000 1.046 579 D CB 0.608 41.547 40.800 0.232 0.000 1.095 579 D HN 0.566 nan 8.370 nan 0.000 0.555 580 E N -0.391 119.882 120.200 0.122 0.000 2.171 580 E HA -0.186 4.172 4.350 0.013 0.000 0.197 580 E C 1.039 177.678 176.600 0.064 0.000 0.997 580 E CA 1.023 57.468 56.400 0.076 0.000 0.810 580 E CB -0.351 29.376 29.700 0.045 0.000 0.738 580 E HN 0.469 nan 8.360 nan 0.000 0.467 581 N N 0.000 118.746 118.700 0.077 0.000 2.461 581 N HA -0.008 4.740 4.740 0.013 0.000 0.188 581 N C 1.250 176.804 175.510 0.073 0.000 1.134 581 N CA 0.921 54.010 53.050 0.064 0.000 0.878 581 N CB 0.726 39.251 38.487 0.062 0.000 0.972 581 N HN 0.297 nan 8.380 nan 0.000 0.456 582 G N 0.864 109.729 108.800 0.108 0.000 2.143 582 G HA2 -0.253 3.715 3.960 0.013 0.000 0.248 582 G HA3 -0.253 3.715 3.960 0.013 0.000 0.248 582 G C -0.266 174.760 174.900 0.211 0.000 0.991 582 G CA -0.332 44.832 45.100 0.107 0.000 0.689 582 G HN 0.299 nan 8.290 nan 0.000 0.522 583 N N 1.735 120.569 118.700 0.223 0.000 2.472 583 N HA 0.421 5.169 4.740 0.013 0.000 0.277 583 N C -2.483 173.188 175.510 0.269 0.000 1.081 583 N CA -1.014 52.169 53.050 0.223 0.000 0.973 583 N CB 1.852 40.434 38.487 0.160 0.000 1.105 583 N HN 0.186 nan 8.380 nan 0.000 0.470 584 P HA 0.274 nan 4.420 nan 0.000 0.278 584 P C -0.544 176.745 177.300 -0.018 0.000 1.238 584 P CA -0.344 62.674 63.100 -0.137 0.000 0.794 584 P CB 0.741 32.355 31.700 -0.142 0.000 0.955 585 W N -0.398 120.683 121.300 -0.365 0.000 3.167 585 W HA 0.430 5.098 4.660 0.013 0.000 0.324 585 W C -1.469 174.877 176.519 -0.289 0.000 1.230 585 W CA -1.097 56.037 57.345 -0.352 0.000 1.184 585 W CB 0.443 29.497 29.460 -0.677 0.000 1.414 585 W HN 0.111 nan 8.180 nan 0.000 0.551 586 S N 1.770 117.577 115.700 0.179 0.000 2.455 586 S HA 0.522 5.000 4.470 0.013 0.000 0.278 586 S C 0.203 175.018 174.600 0.358 0.000 1.216 586 S CA -0.177 58.129 58.200 0.176 0.000 1.055 586 S CB 0.609 63.942 63.200 0.222 0.000 0.939 586 S HN 0.588 nan 8.310 nan 0.000 0.494 587 A N 3.266 126.163 122.820 0.129 0.000 2.320 587 A HA 0.868 5.196 4.320 0.013 0.000 0.334 587 A C -0.631 177.223 177.584 0.450 0.000 1.147 587 A CA -0.735 51.417 52.037 0.191 0.000 0.820 587 A CB 0.654 19.449 19.000 -0.341 0.000 1.218 587 A HN 0.827 nan 8.150 nan 0.000 0.482 588 Y N -0.554 120.090 120.300 0.573 0.000 2.944 588 Y HA 0.766 5.324 4.550 0.013 0.000 0.312 588 Y C 0.661 176.959 175.900 0.664 0.000 1.417 588 Y CA -1.499 56.948 58.100 0.579 0.000 1.105 588 Y CB -0.090 38.537 38.460 0.278 0.000 1.364 588 Y HN 0.917 nan 8.280 nan 0.000 0.540 589 G N 0.024 109.286 108.800 0.770 0.000 2.178 589 G HA2 0.363 4.331 3.960 0.013 0.000 0.244 589 G HA3 0.363 4.331 3.960 0.013 0.000 0.244 589 G C 0.976 176.219 174.900 0.573 0.000 1.213 589 G CA 0.515 45.957 45.100 0.569 0.000 0.912 589 G HN 2.001 nan 8.290 nan 0.000 0.474 590 G N 2.409 111.511 108.800 0.503 0.000 2.225 590 G HA2 -0.277 3.691 3.960 0.013 0.000 0.254 590 G HA3 -0.277 3.691 3.960 0.013 0.000 0.254 590 G C 0.887 176.001 174.900 0.356 0.000 0.988 590 G CA 0.632 45.962 45.100 0.383 0.000 0.625 590 G HN 0.650 nan 8.290 nan 0.000 0.527 591 D N -0.376 120.262 120.400 0.396 0.000 2.392 591 D HA 0.121 4.769 4.640 0.013 0.000 0.228 591 D C 1.282 177.472 176.300 -0.182 0.000 1.003 591 D CA 0.602 54.663 54.000 0.102 0.000 0.917 591 D CB -0.176 40.631 40.800 0.011 0.000 0.890 591 D HN 0.498 nan 8.370 nan 0.000 0.532 592 F N -1.295 118.792 119.950 0.229 0.000 2.724 592 F HA 0.311 4.846 4.527 0.013 0.000 0.310 592 F C 1.775 177.665 175.800 0.150 0.000 1.107 592 F CA -0.100 57.989 58.000 0.149 0.000 1.218 592 F CB 1.018 40.102 39.000 0.139 0.000 1.042 592 F HN -0.041 nan 8.300 nan 0.000 0.540 593 G N 0.155 109.124 108.800 0.282 0.000 2.195 593 G HA2 -0.263 3.704 3.960 0.013 0.000 0.246 593 G HA3 -0.263 3.704 3.960 0.013 0.000 0.246 593 G C -0.181 174.858 174.900 0.231 0.000 0.984 593 G CA 0.022 45.251 45.100 0.216 0.000 0.633 593 G HN 0.365 nan 8.290 nan 0.000 0.525 594 D N 0.797 121.383 120.400 0.310 0.000 2.450 594 D HA 0.465 5.113 4.640 0.013 0.000 0.247 594 D C 0.189 176.606 176.300 0.195 0.000 1.162 594 D CA 1.228 55.394 54.000 0.277 0.000 0.879 594 D CB 1.409 42.429 40.800 0.367 0.000 1.163 594 D HN 0.583 nan 8.370 nan 0.000 0.472 595 T N 1.011 115.647 114.554 0.138 0.000 3.225 595 T HA 0.374 4.732 4.350 0.013 0.000 0.356 595 T C -2.861 171.869 174.700 0.050 0.000 1.460 595 T CA -1.170 60.981 62.100 0.085 0.000 1.126 595 T CB 0.992 69.915 68.868 0.093 0.000 1.321 595 T HN 0.233 nan 8.240 nan 0.000 0.478 596 P HA 0.479 nan 4.420 nan 0.000 0.270 596 P C -0.857 176.416 177.300 -0.045 0.000 1.223 596 P CA -0.231 62.856 63.100 -0.022 0.000 0.785 596 P CB 0.293 31.954 31.700 -0.065 0.000 0.923 597 N N -1.754 116.911 118.700 -0.058 0.000 2.610 597 N HA 0.274 5.022 4.740 0.013 0.000 0.264 597 N C -1.055 174.355 175.510 -0.167 0.000 1.348 597 N CA -0.798 52.183 53.050 -0.115 0.000 0.819 597 N CB 0.919 39.436 38.487 0.049 0.000 1.521 597 N HN 0.105 nan 8.380 nan 0.000 0.497 598 D N -0.055 120.158 120.400 -0.313 0.000 2.615 598 D HA 0.101 4.749 4.640 0.013 0.000 0.236 598 D C 0.547 177.028 176.300 0.301 0.000 1.233 598 D CA -0.102 53.812 54.000 -0.142 0.000 0.829 598 D CB 0.135 40.693 40.800 -0.404 0.000 1.024 598 D HN 0.712 nan 8.370 nan 0.000 0.490 599 R N 1.002 121.678 120.500 0.293 0.000 3.707 599 R HA -0.330 4.018 4.340 0.013 0.000 0.504 599 R C 1.111 177.450 176.300 0.064 0.000 0.241 599 R CA 1.629 57.917 56.100 0.314 0.000 1.576 599 R CB -1.584 28.824 30.300 0.181 0.000 0.924 599 R HN 0.132 nan 8.270 nan 0.000 0.597 600 Q N 1.465 120.967 119.800 -0.497 0.000 2.482 600 Q HA -0.005 4.342 4.340 0.013 0.000 0.209 600 Q C 1.728 177.427 176.000 -0.501 0.000 0.961 600 Q CA 1.315 56.627 55.803 -0.817 0.000 0.945 600 Q CB -0.054 28.011 28.738 -1.122 0.000 1.012 600 Q HN 0.608 nan 8.270 nan 0.000 0.515 601 F N 1.670 121.533 119.950 -0.146 0.000 2.373 601 F HA -0.159 4.376 4.527 0.013 0.000 0.300 601 F C 2.271 178.001 175.800 -0.117 0.000 1.080 601 F CA 1.285 59.276 58.000 -0.016 0.000 1.417 601 F CB -0.187 38.894 39.000 0.136 0.000 1.070 601 F HN 0.423 nan 8.300 nan 0.000 0.546 602 C N -1.350 117.652 119.300 -0.495 0.000 2.576 602 C HA 0.226 4.694 4.460 0.013 0.000 0.267 602 C C 1.004 175.783 174.990 -0.351 0.000 1.364 602 C CA -0.506 58.054 59.018 -0.763 0.000 1.723 602 C CB -1.717 25.000 27.740 -1.705 0.000 1.778 602 C HN 0.186 nan 8.230 nan 0.000 0.572 603 M N 2.638 122.079 119.600 -0.265 0.000 2.060 603 M HA 0.279 4.767 4.480 0.013 0.000 0.342 603 M C -0.351 175.837 176.300 -0.187 0.000 1.031 603 M CA 0.327 55.511 55.300 -0.194 0.000 0.981 603 M CB 0.074 32.592 32.600 -0.137 0.000 1.376 603 M HN 0.363 nan 8.290 nan 0.000 0.397 604 N N 1.075 119.663 118.700 -0.187 0.000 2.305 604 N HA 0.179 4.927 4.740 0.013 0.000 0.248 604 N C 0.427 175.722 175.510 -0.358 0.000 1.290 604 N CA -0.582 52.313 53.050 -0.258 0.000 0.873 604 N CB 1.169 39.606 38.487 -0.083 0.000 1.261 604 N HN 0.673 nan 8.380 nan 0.000 0.504 605 G N 0.179 108.741 108.800 -0.397 0.000 2.527 605 G HA2 0.230 4.198 3.960 0.013 0.000 0.248 605 G HA3 0.230 4.198 3.960 0.013 0.000 0.248 605 G C 0.750 175.162 174.900 -0.812 0.000 1.231 605 G CA -0.432 44.307 45.100 -0.601 0.000 0.838 605 G HN 0.153 nan 8.290 nan 0.000 0.570 606 L N 0.488 121.224 121.223 -0.812 0.000 2.341 606 L HA 0.135 4.483 4.340 0.013 0.000 0.214 606 L C 0.930 177.153 176.870 -1.077 0.000 1.115 606 L CA 0.328 54.708 54.840 -0.766 0.000 0.820 606 L CB -0.085 41.650 42.059 -0.540 0.000 0.944 606 L HN 0.440 nan 8.230 nan 0.000 0.452 607 V N -5.109 114.061 119.914 -1.240 0.000 3.001 607 V HA 0.477 4.605 4.120 0.013 0.000 0.314 607 V C -0.255 175.360 176.094 -0.798 0.000 1.099 607 V CA -1.243 60.481 62.300 -0.960 0.000 0.989 607 V CB 1.664 33.004 31.823 -0.805 0.000 1.040 607 V HN -0.142 nan 8.190 nan 0.000 0.434 608 F N 1.379 121.190 119.950 -0.231 0.000 2.435 608 F HA 0.574 5.109 4.527 0.014 0.000 0.316 608 F C 1.964 177.687 175.800 -0.128 0.000 1.220 608 F CA 0.621 58.602 58.000 -0.032 0.000 1.241 608 F CB 0.831 39.840 39.000 0.016 0.000 1.234 608 F HN 0.784 nan 8.300 nan 0.000 0.569 609 A N 0.656 123.560 122.820 0.141 0.000 2.032 609 A HA -0.237 4.091 4.320 0.013 0.000 0.221 609 A C 1.573 179.154 177.584 -0.006 0.000 1.165 609 A CA 1.995 54.073 52.037 0.068 0.000 0.645 609 A CB -1.010 18.060 19.000 0.117 0.000 0.807 609 A HN 0.785 nan 8.150 nan 0.000 0.453 610 D N -3.134 117.284 120.400 0.030 0.000 2.325 610 D HA 0.169 4.817 4.640 0.013 0.000 0.225 610 D C 0.544 176.837 176.300 -0.011 0.000 1.096 610 D CA -0.091 53.890 54.000 -0.031 0.000 0.844 610 D CB -0.069 40.712 40.800 -0.033 0.000 0.925 610 D HN 0.174 nan 8.370 nan 0.000 0.513 611 R N -1.732 118.762 120.500 -0.009 0.000 3.908 611 R HA -0.115 4.233 4.340 0.013 0.000 0.381 611 R C -0.503 175.801 176.300 0.007 0.000 1.135 611 R CA 0.917 57.001 56.100 -0.027 0.000 0.990 611 R CB -3.325 26.996 30.300 0.036 0.000 1.557 611 R HN 0.230 nan 8.270 nan 0.000 0.535 612 T N 2.664 117.267 114.554 0.082 0.000 2.761 612 T HA 0.394 4.752 4.350 0.013 0.000 0.296 612 T C -2.305 172.533 174.700 0.229 0.000 0.934 612 T CA -1.154 61.026 62.100 0.133 0.000 1.091 612 T CB 1.226 70.149 68.868 0.092 0.000 0.896 612 T HN -0.091 nan 8.240 nan 0.000 0.515 613 P HA 0.140 nan 4.420 nan 0.000 0.271 613 P C -0.082 177.304 177.300 0.143 0.000 1.218 613 P CA -0.201 62.909 63.100 0.016 0.000 0.780 613 P CB 0.442 32.141 31.700 -0.002 0.000 0.901 614 H N 2.266 121.183 119.070 -0.254 0.000 2.544 614 H HA 0.124 4.688 4.556 0.013 0.000 0.365 614 H C -1.268 173.975 175.328 -0.142 0.000 1.268 614 H CA -1.902 53.967 56.048 -0.299 0.000 1.400 614 H CB 0.140 29.684 29.762 -0.363 0.000 1.538 614 H HN 0.319 nan 8.280 nan 0.000 0.597 615 P HA -0.119 nan 4.420 nan 0.000 0.219 615 P C 1.155 178.461 177.300 0.009 0.000 1.150 615 P CA 1.310 64.412 63.100 0.004 0.000 0.814 615 P CB -0.016 31.689 31.700 0.009 0.000 0.787 616 A N -0.348 122.480 122.820 0.014 0.000 2.076 616 A HA -0.183 4.144 4.320 0.013 0.000 0.220 616 A C 2.049 179.580 177.584 -0.089 0.000 1.160 616 A CA 1.204 53.208 52.037 -0.055 0.000 0.653 616 A CB -1.590 17.349 19.000 -0.102 0.000 0.801 616 A HN 0.170 nan 8.150 nan 0.000 0.455 617 L N -0.297 120.888 121.223 -0.065 0.000 2.131 617 L HA -0.104 4.244 4.340 0.013 0.000 0.210 617 L C 2.316 179.224 176.870 0.063 0.000 1.092 617 L CA 2.609 57.441 54.840 -0.014 0.000 0.759 617 L CB -0.780 41.270 42.059 -0.015 0.000 0.903 617 L HN 0.352 nan 8.230 nan 0.000 0.435 618 T N -1.261 113.342 114.554 0.081 0.000 2.904 618 T HA -0.147 4.211 4.350 0.013 0.000 0.267 618 T C 1.678 176.498 174.700 0.200 0.000 1.059 618 T CA 1.221 63.436 62.100 0.192 0.000 1.137 618 T CB -0.070 68.888 68.868 0.150 0.000 0.879 618 T HN 0.341 nan 8.240 nan 0.000 0.467 619 E N 1.628 121.879 120.200 0.086 0.000 2.077 619 E HA -0.033 4.325 4.350 0.013 0.000 0.193 619 E C 2.218 178.822 176.600 0.006 0.000 0.989 619 E CA 1.273 57.721 56.400 0.080 0.000 0.800 619 E CB -0.439 29.276 29.700 0.025 0.000 0.746 619 E HN 0.444 nan 8.360 nan 0.000 0.452 620 A N 0.923 123.637 122.820 -0.177 0.000 1.873 620 A HA -0.185 4.142 4.320 0.013 0.000 0.215 620 A C 2.157 179.616 177.584 -0.209 0.000 1.186 620 A CA 1.818 53.684 52.037 -0.285 0.000 0.616 620 A CB -0.622 18.196 19.000 -0.303 0.000 0.823 620 A HN 0.261 nan 8.150 nan 0.000 0.442 621 K N -1.111 119.252 120.400 -0.062 0.000 2.063 621 K HA -0.297 4.031 4.320 0.013 0.000 0.208 621 K C 2.026 178.527 176.600 -0.164 0.000 1.048 621 K CA 2.067 58.330 56.287 -0.040 0.000 0.928 621 K CB -0.347 32.283 32.500 0.216 0.000 0.713 621 K HN 0.642 nan 8.250 nan 0.000 0.442 622 H N 0.371 119.263 119.070 -0.297 0.000 2.357 622 H HA -0.009 4.556 4.556 0.014 0.000 0.301 622 H C 1.908 176.966 175.328 -0.450 0.000 1.082 622 H CA 1.752 57.426 56.048 -0.624 0.000 1.342 622 H CB 0.091 29.528 29.762 -0.542 0.000 1.389 622 H HN 0.247 nan 8.280 nan 0.000 0.511 623 Q N 0.199 119.758 119.800 -0.401 0.000 2.224 623 Q HA -0.087 4.261 4.340 0.013 0.000 0.203 623 Q C 1.402 176.900 176.000 -0.838 0.000 0.970 623 Q CA 1.139 56.638 55.803 -0.506 0.000 0.865 623 Q CB 0.071 28.684 28.738 -0.209 0.000 0.922 623 Q HN 0.716 nan 8.270 nan 0.000 0.445 624 Q N 0.301 119.542 119.800 -0.932 0.000 2.247 624 Q HA 0.093 4.441 4.340 0.013 0.000 0.205 624 Q C -0.093 175.364 176.000 -0.906 0.000 0.896 624 Q CA -0.220 54.882 55.803 -1.168 0.000 0.950 624 Q CB 0.346 28.406 28.738 -1.130 0.000 1.054 624 Q HN 0.364 nan 8.270 nan 0.000 0.482 625 Q N -0.453 118.965 119.800 -0.636 0.000 2.414 625 Q HA -0.050 4.297 4.340 0.013 0.000 0.288 625 Q C -0.034 175.600 176.000 -0.609 0.000 1.086 625 Q CA 0.452 56.007 55.803 -0.413 0.000 0.943 625 Q CB 0.429 28.993 28.738 -0.290 0.000 1.282 625 Q HN 0.316 nan 8.270 nan 0.000 0.438 626 F N -0.145 119.576 119.950 -0.382 0.000 2.749 626 F HA 0.180 4.715 4.527 0.012 0.000 0.300 626 F C -0.100 175.082 175.800 -1.032 0.000 1.103 626 F CA -0.026 57.480 58.000 -0.824 0.000 1.342 626 F CB 0.546 38.780 39.000 -1.276 0.000 1.098 626 F HN 0.294 nan 8.300 nan 0.000 0.586 627 F N 0.437 120.278 119.950 -0.183 0.000 2.482 627 F HA 0.506 5.042 4.527 0.014 0.000 0.331 627 F C 0.004 175.392 175.800 -0.686 0.000 1.115 627 F CA -1.297 56.478 58.000 -0.376 0.000 0.955 627 F CB 0.935 39.723 39.000 -0.353 0.000 1.136 627 F HN -0.307 nan 8.300 nan 0.000 0.452 628 Q N 2.806 122.324 119.800 -0.471 0.000 2.257 628 Q HA 0.621 4.968 4.340 0.013 0.000 0.262 628 Q C -1.214 174.494 176.000 -0.487 0.000 0.997 628 Q CA -0.563 54.994 55.803 -0.410 0.000 0.873 628 Q CB 2.713 31.353 28.738 -0.164 0.000 1.312 628 Q HN 0.636 nan 8.270 nan 0.000 0.450 629 F N 0.244 120.310 119.950 0.193 0.000 2.613 629 F HA 0.624 5.159 4.527 0.014 0.000 0.314 629 F C 0.216 176.220 175.800 0.340 0.000 1.075 629 F CA -1.047 57.129 58.000 0.293 0.000 0.945 629 F CB 1.856 41.141 39.000 0.475 0.000 1.310 629 F HN 0.112 nan 8.300 nan 0.000 0.467 630 R N 1.488 122.293 120.500 0.508 0.000 2.668 630 R HA 0.632 4.980 4.340 0.013 0.000 0.272 630 R C -2.040 174.304 176.300 0.072 0.000 1.019 630 R CA -1.016 55.287 56.100 0.338 0.000 0.894 630 R CB 2.471 32.883 30.300 0.186 0.000 1.228 630 R HN 0.701 nan 8.270 nan 0.000 0.460 631 L N -0.150 120.986 121.223 -0.144 0.000 2.362 631 L HA 0.643 4.991 4.340 0.013 0.000 0.275 631 L C -0.890 175.824 176.870 -0.260 0.000 0.998 631 L CA 0.041 54.602 54.840 -0.464 0.000 0.820 631 L CB 2.270 43.589 42.059 -1.233 0.000 1.270 631 L HN 0.544 nan 8.230 nan 0.000 0.415 632 S N 3.503 119.076 115.700 -0.212 0.000 2.652 632 S HA 0.668 5.146 4.470 0.013 0.000 0.252 632 S C 0.363 174.876 174.600 -0.144 0.000 1.219 632 S CA 0.219 58.336 58.200 -0.137 0.000 1.151 632 S CB 0.455 63.608 63.200 -0.078 0.000 1.080 632 S HN 1.459 nan 8.310 nan 0.000 0.481 633 G N 4.059 112.768 108.800 -0.151 0.000 2.889 633 G HA2 -0.309 3.659 3.960 0.013 0.000 0.308 633 G HA3 -0.309 3.659 3.960 0.013 0.000 0.308 633 G C 0.520 175.314 174.900 -0.178 0.000 1.248 633 G CA 0.777 45.794 45.100 -0.138 0.000 0.982 633 G HN 0.617 nan 8.290 nan 0.000 0.571 634 Q N 0.860 120.560 119.800 -0.166 0.000 2.217 634 Q HA 0.216 4.564 4.340 0.013 0.000 0.217 634 Q C 0.038 175.906 176.000 -0.221 0.000 0.844 634 Q CA 0.677 56.356 55.803 -0.206 0.000 0.957 634 Q CB 1.053 29.683 28.738 -0.179 0.000 1.127 634 Q HN 0.569 nan 8.270 nan 0.000 0.503 635 T N 1.126 115.571 114.554 -0.182 0.000 2.767 635 T HA 0.465 4.822 4.350 0.013 0.000 0.288 635 T C 0.134 174.726 174.700 -0.180 0.000 0.963 635 T CA -0.268 61.740 62.100 -0.153 0.000 1.019 635 T CB 1.292 70.102 68.868 -0.096 0.000 0.923 635 T HN 0.028 nan 8.240 nan 0.000 0.468 636 I N 2.583 123.058 120.570 -0.160 0.000 2.385 636 I HA 0.299 4.477 4.170 0.013 0.000 0.294 636 I C 0.612 176.736 176.117 0.013 0.000 0.988 636 I CA -0.548 60.675 61.300 -0.129 0.000 1.265 636 I CB 1.222 39.170 38.000 -0.086 0.000 1.388 636 I HN 0.616 nan 8.210 nan 0.000 0.480 637 E N 6.602 126.852 120.200 0.082 0.000 2.129 637 E HA 0.384 4.742 4.350 0.013 0.000 0.268 637 E C -1.599 175.132 176.600 0.217 0.000 0.900 637 E CA -0.602 55.869 56.400 0.118 0.000 0.755 637 E CB 1.689 31.434 29.700 0.075 0.000 1.117 637 E HN 0.347 nan 8.360 nan 0.000 0.410 638 V N 4.191 124.216 119.914 0.186 0.000 2.370 638 V HA 0.312 4.440 4.120 0.013 0.000 0.279 638 V C 0.087 176.226 176.094 0.075 0.000 1.029 638 V CA -0.455 61.936 62.300 0.151 0.000 0.870 638 V CB 1.450 33.385 31.823 0.187 0.000 0.984 638 V HN 0.662 nan 8.190 nan 0.000 0.451 639 T N 3.466 118.021 114.554 0.001 0.000 2.807 639 T HA 0.353 4.710 4.350 0.013 0.000 0.279 639 T C -0.018 174.692 174.700 0.016 0.000 0.993 639 T CA -0.274 61.834 62.100 0.012 0.000 0.970 639 T CB 1.575 70.431 68.868 -0.019 0.000 0.950 639 T HN 0.721 nan 8.240 nan 0.000 0.441 640 S N 1.952 117.682 115.700 0.050 0.000 2.537 640 S HA 0.227 4.705 4.470 0.013 0.000 0.275 640 S C 0.810 175.304 174.600 -0.176 0.000 1.272 640 S CA -0.523 57.650 58.200 -0.044 0.000 1.050 640 S CB 0.658 63.913 63.200 0.091 0.000 0.961 640 S HN 0.723 nan 8.310 nan 0.000 0.496 641 E N 2.823 122.806 120.200 -0.363 0.000 2.474 641 E HA 0.081 4.439 4.350 0.013 0.000 0.195 641 E C -0.642 175.758 176.600 -0.333 0.000 1.039 641 E CA -0.097 56.106 56.400 -0.328 0.000 0.881 641 E CB 0.235 29.700 29.700 -0.392 0.000 0.970 641 E HN 0.715 nan 8.360 nan 0.000 0.486 642 Y N 0.403 120.595 120.300 -0.179 0.000 2.480 642 Y HA -0.057 4.501 4.550 0.013 0.000 0.338 642 Y C 1.492 177.241 175.900 -0.251 0.000 1.220 642 Y CA 0.078 58.075 58.100 -0.171 0.000 1.430 642 Y CB 0.647 38.995 38.460 -0.185 0.000 1.311 642 Y HN -0.052 nan 8.280 nan 0.000 0.575 643 L N 0.775 121.850 121.223 -0.246 0.000 2.354 643 L HA 0.054 4.402 4.340 0.013 0.000 0.212 643 L C 0.728 177.145 176.870 -0.755 0.000 1.091 643 L CA 0.711 55.146 54.840 -0.674 0.000 0.828 643 L CB -0.057 41.248 42.059 -1.258 0.000 0.973 643 L HN 0.610 nan 8.230 nan 0.000 0.461 644 F N -0.557 119.421 119.950 0.047 0.000 2.640 644 F HA 0.227 4.761 4.527 0.012 0.000 0.285 644 F C 1.217 177.012 175.800 -0.008 0.000 1.031 644 F CA -0.842 57.157 58.000 -0.001 0.000 1.240 644 F CB 0.217 39.192 39.000 -0.041 0.000 1.011 644 F HN -0.176 nan 8.300 nan 0.000 0.656 645 R N 0.437 120.995 120.500 0.096 0.000 2.500 645 R HA 0.419 4.767 4.340 0.013 0.000 0.277 645 R C -0.905 175.388 176.300 -0.011 0.000 1.026 645 R CA -0.663 55.434 56.100 -0.005 0.000 1.058 645 R CB 0.712 30.908 30.300 -0.173 0.000 1.078 645 R HN 0.097 nan 8.270 nan 0.000 0.509 646 H N 0.504 119.562 119.070 -0.021 0.000 2.551 646 H HA 0.098 4.661 4.556 0.013 0.000 0.358 646 H C -0.093 175.245 175.328 0.017 0.000 1.151 646 H CA 0.049 56.110 56.048 0.023 0.000 1.374 646 H CB 1.155 30.934 29.762 0.028 0.000 1.473 646 H HN 0.754 nan 8.280 nan 0.000 0.574 647 S N 2.379 117.872 115.700 -0.344 0.000 4.183 647 S HA -0.024 4.454 4.470 0.013 0.000 0.195 647 S C 0.036 174.733 174.600 0.162 0.000 1.421 647 S CA -0.290 57.921 58.200 0.017 0.000 0.920 647 S CB -0.680 62.561 63.200 0.068 0.000 1.525 647 S HN 0.725 nan 8.310 nan 0.000 0.447 648 D N 0.715 121.235 120.400 0.200 0.000 2.336 648 D HA 0.058 4.706 4.640 0.013 0.000 0.228 648 D C 0.256 176.612 176.300 0.093 0.000 1.120 648 D CA -0.314 53.794 54.000 0.180 0.000 0.839 648 D CB -0.405 40.490 40.800 0.157 0.000 0.932 648 D HN 0.509 nan 8.370 nan 0.000 0.509 649 N N 0.008 118.759 118.700 0.085 0.000 2.635 649 N HA 0.136 4.884 4.740 0.013 0.000 0.252 649 N C -1.630 173.927 175.510 0.078 0.000 1.589 649 N CA -0.172 52.917 53.050 0.066 0.000 0.828 649 N CB 0.318 38.838 38.487 0.055 0.000 1.403 649 N HN -0.044 nan 8.380 nan 0.000 0.518 650 E N -0.042 120.189 120.200 0.051 0.000 2.372 650 E HA 0.575 4.933 4.350 0.013 0.000 0.279 650 E C -1.566 175.011 176.600 -0.037 0.000 0.946 650 E CA -0.716 55.689 56.400 0.009 0.000 0.769 650 E CB 2.452 32.123 29.700 -0.048 0.000 1.230 650 E HN 0.295 nan 8.360 nan 0.000 0.442 651 L N 1.108 122.282 121.223 -0.082 0.000 2.466 651 L HA 0.695 5.042 4.340 0.013 0.000 0.258 651 L C -1.917 174.837 176.870 -0.194 0.000 0.973 651 L CA -1.056 53.704 54.840 -0.133 0.000 0.826 651 L CB 1.540 43.504 42.059 -0.158 0.000 1.372 651 L HN 0.600 nan 8.230 nan 0.000 0.409 652 L N 2.757 123.888 121.223 -0.152 0.000 2.282 652 L HA 0.555 4.903 4.340 0.013 0.000 0.288 652 L C -0.867 175.931 176.870 -0.120 0.000 1.033 652 L CA 0.160 54.958 54.840 -0.070 0.000 0.807 652 L CB 1.019 43.125 42.059 0.078 0.000 1.209 652 L HN 0.705 nan 8.230 nan 0.000 0.423 653 H N 4.465 123.601 119.070 0.110 0.000 2.472 653 H HA 0.574 5.138 4.556 0.013 0.000 0.338 653 H C -1.158 174.257 175.328 0.145 0.000 1.133 653 H CA -0.376 55.695 56.048 0.039 0.000 1.216 653 H CB 1.232 30.976 29.762 -0.029 0.000 1.497 653 H HN 0.645 nan 8.280 nan 0.000 0.500 654 W N 4.094 125.507 121.300 0.189 0.000 3.033 654 W HA 0.593 5.261 4.660 0.013 0.000 0.336 654 W C -1.909 174.676 176.519 0.110 0.000 1.173 654 W CA -1.312 56.111 57.345 0.131 0.000 1.185 654 W CB 1.621 31.136 29.460 0.093 0.000 1.425 654 W HN 0.590 nan 8.180 nan 0.000 0.536 655 M N 2.324 122.237 119.600 0.521 0.000 2.471 655 M HA 0.605 5.093 4.480 0.013 0.000 0.284 655 M C -2.493 174.080 176.300 0.454 0.000 1.203 655 M CA -0.671 54.817 55.300 0.315 0.000 0.915 655 M CB 2.049 34.630 32.600 -0.032 0.000 1.734 655 M HN 0.185 nan 8.290 nan 0.000 0.485 656 V N 2.363 122.531 119.914 0.424 0.000 2.448 656 V HA 0.950 5.078 4.120 0.013 0.000 0.295 656 V C -0.212 176.008 176.094 0.209 0.000 1.025 656 V CA -0.359 62.142 62.300 0.335 0.000 0.859 656 V CB 1.245 33.280 31.823 0.353 0.000 0.988 656 V HN 1.010 nan 8.190 nan 0.000 0.431 657 A N 4.435 127.381 122.820 0.211 0.000 2.449 657 A HA 0.848 5.176 4.320 0.013 0.000 0.302 657 A C -1.346 176.363 177.584 0.209 0.000 1.048 657 A CA -0.611 51.516 52.037 0.150 0.000 0.708 657 A CB 1.647 20.693 19.000 0.076 0.000 1.274 657 A HN 0.841 nan 8.150 nan 0.000 0.410 658 L N 2.068 123.380 121.223 0.148 0.000 2.259 658 L HA 0.453 4.801 4.340 0.013 0.000 0.288 658 L C -0.560 176.411 176.870 0.168 0.000 1.051 658 L CA 0.302 55.238 54.840 0.161 0.000 0.824 658 L CB -0.026 42.094 42.059 0.100 0.000 1.206 658 L HN 0.750 nan 8.230 nan 0.000 0.429 659 D N 4.817 125.388 120.400 0.284 0.000 2.740 659 D HA -0.210 4.438 4.640 0.013 0.000 0.231 659 D C 1.184 177.531 176.300 0.078 0.000 1.194 659 D CA 1.408 55.574 54.000 0.277 0.000 0.673 659 D CB -1.082 39.848 40.800 0.217 0.000 0.995 659 D HN 1.130 nan 8.370 nan 0.000 0.411 660 G N -0.536 108.257 108.800 -0.011 0.000 2.225 660 G HA2 -0.377 3.591 3.960 0.013 0.000 0.254 660 G HA3 -0.377 3.591 3.960 0.013 0.000 0.254 660 G C 0.175 174.985 174.900 -0.150 0.000 0.988 660 G CA 0.591 45.566 45.100 -0.209 0.000 0.625 660 G HN 0.531 nan 8.290 nan 0.000 0.527 661 K N 2.055 122.424 120.400 -0.052 0.000 2.281 661 K HA 0.531 4.858 4.320 0.013 0.000 0.272 661 K C -2.697 173.895 176.600 -0.013 0.000 1.048 661 K CA -2.067 54.193 56.287 -0.044 0.000 0.898 661 K CB 1.938 34.427 32.500 -0.019 0.000 1.128 661 K HN 0.071 nan 8.250 nan 0.000 0.460 662 P HA -0.109 nan 4.420 nan 0.000 0.260 662 P C -0.124 177.177 177.300 0.002 0.000 1.185 662 P CA 0.064 63.150 63.100 -0.024 0.000 0.763 662 P CB 0.635 32.298 31.700 -0.062 0.000 0.776 663 L N 2.107 123.353 121.223 0.038 0.000 2.445 663 L HA 0.458 4.806 4.340 0.013 0.000 0.207 663 L C 0.809 177.724 176.870 0.074 0.000 1.053 663 L CA 0.905 55.782 54.840 0.061 0.000 0.841 663 L CB 0.105 42.224 42.059 0.100 0.000 1.074 663 L HN 0.450 nan 8.230 nan 0.000 0.479 664 A N -1.106 121.773 122.820 0.098 0.000 2.540 664 A HA 0.639 4.967 4.320 0.013 0.000 0.291 664 A C -1.039 176.493 177.584 -0.088 0.000 1.083 664 A CA 0.340 52.440 52.037 0.106 0.000 0.650 664 A CB 1.412 20.613 19.000 0.336 0.000 1.292 664 A HN 0.243 nan 8.150 nan 0.000 0.435 665 S N -1.634 113.703 115.700 -0.604 0.000 2.718 665 S HA 0.776 5.254 4.470 0.013 0.000 0.271 665 S C -0.352 173.316 174.600 -1.553 0.000 0.999 665 S CA 0.303 57.611 58.200 -1.487 0.000 0.899 665 S CB 0.327 63.152 63.200 -0.626 0.000 1.148 665 S HN 2.843 nan 8.310 nan 0.000 0.463 666 G N 0.205 107.927 108.800 -1.797 0.000 2.430 666 G HA2 0.626 4.594 3.960 0.013 0.000 0.300 666 G HA3 0.626 4.594 3.960 0.013 0.000 0.300 666 G C -2.086 172.521 174.900 -0.488 0.000 1.330 666 G CA -0.155 44.457 45.100 -0.813 0.000 0.813 666 G HN 1.291 nan 8.290 nan 0.000 0.487 667 E N -1.790 118.398 120.200 -0.019 0.000 2.343 667 E HA 0.794 5.152 4.350 0.013 0.000 0.270 667 E C -1.411 175.265 176.600 0.126 0.000 0.895 667 E CA -1.117 55.348 56.400 0.108 0.000 0.767 667 E CB 2.933 32.729 29.700 0.160 0.000 1.248 667 E HN 0.585 nan 8.360 nan 0.000 0.440 668 V N 1.502 121.462 119.914 0.076 0.000 2.891 668 V HA 0.409 4.537 4.120 0.013 0.000 0.304 668 V C -2.582 173.524 176.094 0.021 0.000 1.171 668 V CA -1.744 60.603 62.300 0.079 0.000 0.943 668 V CB 2.173 34.075 31.823 0.131 0.000 1.037 668 V HN 0.716 nan 8.190 nan 0.000 0.427 669 P HA 0.396 nan 4.420 nan 0.000 0.277 669 P C -0.935 176.378 177.300 0.021 0.000 1.240 669 P CA -0.296 62.811 63.100 0.011 0.000 0.798 669 P CB 0.797 32.514 31.700 0.028 0.000 0.979 670 L N 2.656 123.880 121.223 0.002 0.000 2.282 670 L HA 0.339 4.687 4.340 0.013 0.000 0.288 670 L C 0.195 177.096 176.870 0.052 0.000 1.033 670 L CA -0.040 54.797 54.840 -0.005 0.000 0.807 670 L CB 0.948 42.944 42.059 -0.106 0.000 1.209 670 L HN 0.321 nan 8.230 nan 0.000 0.423 671 D N 3.855 124.306 120.400 0.085 0.000 2.400 671 D HA 0.270 4.918 4.640 0.013 0.000 0.272 671 D C -1.372 174.994 176.300 0.111 0.000 1.220 671 D CA -0.057 54.068 54.000 0.208 0.000 0.897 671 D CB 1.375 42.291 40.800 0.194 0.000 1.134 671 D HN 0.137 nan 8.370 nan 0.000 0.507 672 V N 1.854 121.671 119.914 -0.161 0.000 2.588 672 V HA 0.869 4.997 4.120 0.013 0.000 0.304 672 V C -0.508 175.329 176.094 -0.427 0.000 1.042 672 V CA -0.531 61.684 62.300 -0.141 0.000 0.877 672 V CB 1.508 33.352 31.823 0.034 0.000 0.996 672 V HN 0.507 nan 8.190 nan 0.000 0.425 673 A N 8.539 131.289 122.820 -0.117 0.000 2.322 673 A HA 0.784 5.112 4.320 0.013 0.000 0.269 673 A C -2.456 175.127 177.584 -0.001 0.000 1.094 673 A CA -1.582 50.452 52.037 -0.007 0.000 0.807 673 A CB 0.173 19.253 19.000 0.134 0.000 1.047 673 A HN 0.790 nan 8.150 nan 0.000 0.487 674 P HA -0.047 nan 4.420 nan 0.000 0.261 674 P C -0.459 176.832 177.300 -0.014 0.000 1.173 674 P CA 0.752 63.861 63.100 0.015 0.000 0.760 674 P CB 0.532 32.223 31.700 -0.015 0.000 0.783 675 Q N -1.014 118.766 119.800 -0.034 0.000 2.348 675 Q HA -0.172 4.176 4.340 0.013 0.000 0.221 675 Q C 0.830 176.823 176.000 -0.012 0.000 0.735 675 Q CA 1.822 57.598 55.803 -0.045 0.000 1.351 675 Q CB -2.570 26.137 28.738 -0.053 0.000 1.640 675 Q HN 0.789 nan 8.270 nan 0.000 0.667 676 G N 0.240 109.048 108.800 0.012 0.000 2.588 676 G HA2 0.476 4.444 3.960 0.013 0.000 0.281 676 G HA3 0.476 4.444 3.960 0.013 0.000 0.281 676 G C -0.250 174.672 174.900 0.037 0.000 1.236 676 G CA -0.356 44.761 45.100 0.029 0.000 0.969 676 G HN -0.003 nan 8.290 nan 0.000 0.504 677 K N -1.029 119.397 120.400 0.043 0.000 2.435 677 K HA 0.527 4.855 4.320 0.013 0.000 0.251 677 K C -0.669 175.965 176.600 0.058 0.000 0.954 677 K CA -0.573 55.744 56.287 0.049 0.000 0.820 677 K CB 2.404 34.927 32.500 0.039 0.000 1.292 677 K HN 0.542 nan 8.250 nan 0.000 0.436 678 Q N 2.812 122.653 119.800 0.067 0.000 2.315 678 Q HA 0.422 4.770 4.340 0.013 0.000 0.273 678 Q C -1.648 174.390 176.000 0.064 0.000 1.053 678 Q CA -0.683 55.158 55.803 0.065 0.000 0.817 678 Q CB 1.315 30.095 28.738 0.070 0.000 1.326 678 Q HN 0.518 nan 8.270 nan 0.000 0.423 679 L N 4.577 125.828 121.223 0.045 0.000 2.295 679 L HA 0.587 4.935 4.340 0.013 0.000 0.285 679 L C -0.657 176.226 176.870 0.022 0.000 1.035 679 L CA -0.750 54.108 54.840 0.029 0.000 0.806 679 L CB 1.383 43.449 42.059 0.012 0.000 1.214 679 L HN 0.594 nan 8.230 nan 0.000 0.426 680 I N 2.992 123.565 120.570 0.006 0.000 2.468 680 I HA 0.172 4.350 4.170 0.013 0.000 0.284 680 I C -0.443 175.636 176.117 -0.064 0.000 1.038 680 I CA -0.524 60.771 61.300 -0.008 0.000 1.083 680 I CB 1.806 39.816 38.000 0.016 0.000 1.223 680 I HN 0.493 nan 8.210 nan 0.000 0.443 681 E N 7.070 127.232 120.200 -0.064 0.000 2.217 681 E HA 0.240 4.597 4.350 0.013 0.000 0.279 681 E C -0.199 176.312 176.600 -0.149 0.000 1.068 681 E CA -0.373 55.968 56.400 -0.099 0.000 0.882 681 E CB 1.220 30.881 29.700 -0.066 0.000 1.039 681 E HN 0.515 nan 8.360 nan 0.000 0.418 682 L N 4.824 125.899 121.223 -0.245 0.000 2.483 682 L HA 0.083 4.431 4.340 0.013 0.000 0.276 682 L C -1.811 174.902 176.870 -0.262 0.000 1.213 682 L CA -1.378 53.225 54.840 -0.395 0.000 0.843 682 L CB 0.297 42.059 42.059 -0.495 0.000 1.107 682 L HN 0.203 nan 8.230 nan 0.000 0.487 683 P HA -0.010 nan 4.420 nan 0.000 0.270 683 P C -0.647 176.607 177.300 -0.077 0.000 1.223 683 P CA -0.299 62.764 63.100 -0.062 0.000 0.785 683 P CB 0.398 32.156 31.700 0.096 0.000 0.923 684 E N 1.394 121.579 120.200 -0.025 0.000 2.376 684 E HA 0.117 4.475 4.350 0.013 0.000 0.266 684 E C -1.017 175.586 176.600 0.005 0.000 1.009 684 E CA -0.120 56.265 56.400 -0.025 0.000 0.902 684 E CB 0.061 29.756 29.700 -0.009 0.000 0.972 684 E HN 0.231 nan 8.360 nan 0.000 0.439 685 L N 6.087 127.306 121.223 -0.007 0.000 2.334 685 L HA 0.487 4.835 4.340 0.013 0.000 0.276 685 L C -1.976 174.912 176.870 0.029 0.000 1.014 685 L CA -1.998 52.862 54.840 0.035 0.000 0.815 685 L CB 1.069 43.157 42.059 0.049 0.000 1.268 685 L HN 0.499 nan 8.230 nan 0.000 0.428 686 P HA 0.139 nan 4.420 nan 0.000 0.280 686 P C -1.439 175.876 177.300 0.026 0.000 1.278 686 P CA -0.458 62.660 63.100 0.030 0.000 0.787 686 P CB 0.290 32.010 31.700 0.034 0.000 1.163 687 Q N -0.340 119.472 119.800 0.020 0.000 2.365 687 Q HA 0.612 4.960 4.340 0.013 0.000 0.269 687 Q C -2.649 173.363 176.000 0.020 0.000 1.061 687 Q CA -1.803 54.010 55.803 0.017 0.000 0.816 687 Q CB 1.697 30.440 28.738 0.008 0.000 1.325 687 Q HN 0.303 nan 8.270 nan 0.000 0.446 688 P HA 0.343 nan 4.420 nan 0.000 0.275 688 P C -0.917 176.396 177.300 0.020 0.000 1.502 688 P CA -0.616 62.499 63.100 0.024 0.000 1.147 688 P CB 1.189 32.909 31.700 0.032 0.000 1.161 689 E N -0.228 119.982 120.200 0.017 0.000 2.485 689 E HA 0.022 4.380 4.350 0.013 0.000 0.194 689 E C 0.693 177.304 176.600 0.018 0.000 1.098 689 E CA 0.045 56.453 56.400 0.015 0.000 0.878 689 E CB -0.240 29.466 29.700 0.010 0.000 0.939 689 E HN 0.236 nan 8.360 nan 0.000 0.503 690 S N 1.208 116.922 115.700 0.023 0.000 2.481 690 S HA 0.350 4.827 4.470 0.013 0.000 0.282 690 S C 0.443 175.062 174.600 0.032 0.000 1.243 690 S CA -0.410 57.807 58.200 0.028 0.000 1.078 690 S CB -0.089 63.128 63.200 0.029 0.000 0.916 690 S HN 0.397 nan 8.310 nan 0.000 0.495 691 A N 4.380 127.220 122.820 0.033 0.000 2.555 691 A HA 0.561 4.889 4.320 0.013 0.000 0.233 691 A C 1.057 178.670 177.584 0.049 0.000 1.060 691 A CA 0.513 52.572 52.037 0.037 0.000 0.759 691 A CB -0.639 18.383 19.000 0.038 0.000 0.995 691 A HN 1.834 nan 8.150 nan 0.000 0.506 692 G N -0.195 108.634 108.800 0.049 0.000 2.369 692 G HA2 0.467 4.435 3.960 0.013 0.000 0.307 692 G HA3 0.467 4.435 3.960 0.013 0.000 0.307 692 G C -1.185 173.743 174.900 0.048 0.000 1.327 692 G CA -0.165 44.978 45.100 0.071 0.000 0.963 692 G HN 1.209 nan 8.290 nan 0.000 0.590 693 Q N -0.096 119.749 119.800 0.075 0.000 2.325 693 Q HA 0.730 5.078 4.340 0.013 0.000 0.262 693 Q C -0.398 175.638 176.000 0.060 0.000 0.968 693 Q CA -0.584 55.209 55.803 -0.016 0.000 0.877 693 Q CB 1.294 29.987 28.738 -0.075 0.000 1.253 693 Q HN 0.587 nan 8.270 nan 0.000 0.448 694 L N 4.193 125.393 121.223 -0.038 0.000 2.350 694 L HA 0.503 4.851 4.340 0.013 0.000 0.275 694 L C -0.876 175.987 176.870 -0.012 0.000 1.099 694 L CA -0.399 54.478 54.840 0.062 0.000 0.808 694 L CB 0.718 42.788 42.059 0.018 0.000 1.149 694 L HN 0.723 nan 8.230 nan 0.000 0.442 695 W N 3.942 125.303 121.300 0.101 0.000 2.915 695 W HA 0.507 5.175 4.660 0.013 0.000 0.337 695 W C -0.899 175.726 176.519 0.177 0.000 1.102 695 W CA -0.515 56.913 57.345 0.137 0.000 1.224 695 W CB 1.657 31.217 29.460 0.167 0.000 1.416 695 W HN 0.103 nan 8.180 nan 0.000 0.503 696 L N 2.713 124.215 121.223 0.466 0.000 2.307 696 L HA 0.871 5.218 4.340 0.013 0.000 0.284 696 L C -0.451 176.720 176.870 0.501 0.000 1.023 696 L CA 0.184 55.280 54.840 0.426 0.000 0.810 696 L CB 1.584 43.837 42.059 0.323 0.000 1.231 696 L HN 0.347 nan 8.230 nan 0.000 0.423 697 T N 4.813 119.616 114.554 0.415 0.000 2.848 697 T HA 0.655 5.012 4.350 0.013 0.000 0.285 697 T C -0.806 174.098 174.700 0.339 0.000 0.995 697 T CA -0.440 61.864 62.100 0.341 0.000 0.970 697 T CB 1.614 70.620 68.868 0.230 0.000 0.976 697 T HN 0.654 nan 8.240 nan 0.000 0.441 698 V N 1.232 121.318 119.914 0.287 0.000 2.680 698 V HA 0.843 4.971 4.120 0.013 0.000 0.309 698 V C -0.847 175.358 176.094 0.186 0.000 1.052 698 V CA -1.097 61.336 62.300 0.222 0.000 0.908 698 V CB 1.905 33.790 31.823 0.103 0.000 1.001 698 V HN 0.823 nan 8.190 nan 0.000 0.431 699 R N 2.638 123.270 120.500 0.221 0.000 2.621 699 R HA 0.709 5.057 4.340 0.013 0.000 0.284 699 R C -1.662 174.773 176.300 0.225 0.000 0.998 699 R CA -0.763 55.500 56.100 0.273 0.000 0.895 699 R CB 2.505 32.958 30.300 0.255 0.000 1.195 699 R HN 0.647 nan 8.270 nan 0.000 0.450 700 V N 3.154 123.227 119.914 0.265 0.000 2.407 700 V HA 0.352 4.480 4.120 0.013 0.000 0.278 700 V C 0.035 176.222 176.094 0.156 0.000 1.037 700 V CA -0.606 61.788 62.300 0.157 0.000 0.900 700 V CB 1.621 33.525 31.823 0.134 0.000 0.983 700 V HN 0.438 nan 8.190 nan 0.000 0.459 701 V N 4.876 124.833 119.914 0.071 0.000 2.680 701 V HA 0.424 4.552 4.120 0.013 0.000 0.309 701 V C -0.346 175.799 176.094 0.085 0.000 1.052 701 V CA -0.810 61.550 62.300 0.099 0.000 0.908 701 V CB 2.039 33.935 31.823 0.121 0.000 1.001 701 V HN 0.884 nan 8.190 nan 0.000 0.431 702 Q N 4.827 124.705 119.800 0.129 0.000 2.421 702 Q HA 0.269 4.617 4.340 0.013 0.000 0.242 702 Q C -1.815 174.228 176.000 0.072 0.000 1.024 702 Q CA -1.785 54.086 55.803 0.113 0.000 0.891 702 Q CB 1.806 30.638 28.738 0.158 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.160 nan 4.420 nan 0.000 0.219 703 P C -0.512 176.799 177.300 0.018 0.000 1.150 703 P CA 1.141 64.265 63.100 0.040 0.000 0.814 703 P CB 0.382 32.103 31.700 0.034 0.000 0.787 704 N N -0.760 117.941 118.700 0.001 0.000 2.430 704 N HA 0.471 5.219 4.740 0.013 0.000 0.298 704 N C -0.294 175.175 175.510 -0.068 0.000 1.130 704 N CA -0.754 52.282 53.050 -0.024 0.000 0.894 704 N CB 1.035 39.509 38.487 -0.022 0.000 1.209 704 N HN -0.067 nan 8.380 nan 0.000 0.503 705 A N 0.439 123.210 122.820 -0.081 0.000 2.366 705 A HA 0.543 4.871 4.320 0.013 0.000 0.250 705 A C 0.485 177.953 177.584 -0.193 0.000 1.099 705 A CA 0.026 51.978 52.037 -0.142 0.000 0.794 705 A CB -0.002 18.937 19.000 -0.102 0.000 1.056 705 A HN 0.728 nan 8.150 nan 0.000 0.499 706 T N -3.951 110.411 114.554 -0.320 0.000 2.716 706 T HA 0.621 4.978 4.350 0.013 0.000 0.286 706 T C 0.743 175.284 174.700 -0.265 0.000 1.052 706 T CA 0.060 61.953 62.100 -0.346 0.000 1.024 706 T CB 1.073 69.508 68.868 -0.721 0.000 1.349 706 T HN 1.409 nan 8.240 nan 0.000 0.525 707 A N -0.125 122.636 122.820 -0.100 0.000 2.168 707 A HA 0.166 4.493 4.320 0.013 0.000 0.215 707 A C 1.454 179.160 177.584 0.203 0.000 1.152 707 A CA 0.719 52.804 52.037 0.079 0.000 0.716 707 A CB -0.808 18.296 19.000 0.173 0.000 0.794 707 A HN 0.892 nan 8.150 nan 0.000 0.465 708 W N -0.629 120.729 121.300 0.097 0.000 2.702 708 W HA 0.447 5.115 4.660 0.014 0.000 0.369 708 W C -0.244 176.233 176.519 -0.070 0.000 0.987 708 W CA 0.410 57.771 57.345 0.027 0.000 1.702 708 W CB -1.107 28.351 29.460 -0.003 0.000 1.138 708 W HN 0.433 nan 8.180 nan 0.000 0.552 709 S N -0.230 115.031 115.700 -0.731 0.000 2.565 709 S HA 0.414 4.892 4.470 0.013 0.000 0.269 709 S C -1.164 173.191 174.600 -0.409 0.000 1.153 709 S CA -0.742 57.049 58.200 -0.681 0.000 0.835 709 S CB 2.605 64.990 63.200 -1.358 0.000 1.122 709 S HN 0.124 nan 8.310 nan 0.000 0.462 710 E N 0.715 120.791 120.200 -0.207 0.000 2.283 710 E HA 0.593 4.951 4.350 0.013 0.000 0.271 710 E C 0.283 176.854 176.600 -0.048 0.000 1.031 710 E CA -0.816 55.531 56.400 -0.088 0.000 0.868 710 E CB 1.423 31.118 29.700 -0.008 0.000 1.094 710 E HN 0.883 nan 8.360 nan 0.000 0.401 711 A N 1.136 123.936 122.820 -0.033 0.000 2.531 711 A HA 0.347 4.675 4.320 0.013 0.000 0.236 711 A C 1.199 178.806 177.584 0.037 0.000 1.062 711 A CA 0.877 52.911 52.037 -0.005 0.000 0.760 711 A CB -0.481 18.517 19.000 -0.004 0.000 0.995 711 A HN 0.844 nan 8.150 nan 0.000 0.501 712 G N 0.604 109.442 108.800 0.063 0.000 2.176 712 G HA2 -0.259 3.709 3.960 0.013 0.000 0.253 712 G HA3 -0.259 3.709 3.960 0.013 0.000 0.253 712 G C 0.278 175.247 174.900 0.115 0.000 0.979 712 G CA 0.742 45.892 45.100 0.084 0.000 0.641 712 G HN 1.846 nan 8.290 nan 0.000 0.530 713 H N 0.635 119.729 119.070 0.039 0.000 3.094 713 H HA 0.386 4.950 4.556 0.013 0.000 0.320 713 H C 0.658 176.078 175.328 0.153 0.000 1.000 713 H CA 0.539 56.634 56.048 0.078 0.000 1.413 713 H CB 0.145 29.925 29.762 0.030 0.000 1.405 713 H HN 0.314 nan 8.280 nan 0.000 0.586 714 I N 4.681 125.012 120.570 -0.398 0.000 2.315 714 I HA 0.042 4.220 4.170 0.013 0.000 0.291 714 I C 1.040 176.970 176.117 -0.312 0.000 1.006 714 I CA 0.168 61.367 61.300 -0.167 0.000 1.265 714 I CB 1.566 39.563 38.000 -0.004 0.000 1.387 714 I HN 0.813 nan 8.210 nan 0.000 0.475 715 S N 4.287 120.047 115.700 0.100 0.000 2.497 715 S HA 0.569 5.047 4.470 0.013 0.000 0.221 715 S C 0.528 175.392 174.600 0.440 0.000 1.037 715 S CA 0.136 58.554 58.200 0.363 0.000 0.920 715 S CB 0.521 64.050 63.200 0.548 0.000 0.800 715 S HN 0.703 nan 8.310 nan 0.000 0.505 716 A N 0.291 123.402 122.820 0.486 0.000 2.608 716 A HA 0.657 4.985 4.320 0.013 0.000 0.292 716 A C -1.779 176.161 177.584 0.593 0.000 1.066 716 A CA -0.858 51.437 52.037 0.431 0.000 0.676 716 A CB 0.392 19.696 19.000 0.506 0.000 1.277 716 A HN 0.917 nan 8.150 nan 0.000 0.413 717 W N -0.269 121.248 121.300 0.362 0.000 3.025 717 W HA 0.826 5.495 4.660 0.014 0.000 0.343 717 W C -1.148 175.473 176.519 0.169 0.000 1.246 717 W CA -0.655 56.802 57.345 0.187 0.000 1.178 717 W CB 1.209 30.721 29.460 0.087 0.000 1.463 717 W HN 1.072 nan 8.180 nan 0.000 0.578 718 Q N 0.960 120.830 119.800 0.116 0.000 2.617 718 Q HA 0.376 4.724 4.340 0.013 0.000 0.270 718 Q C -1.718 174.113 176.000 -0.282 0.000 0.967 718 Q CA -0.393 55.302 55.803 -0.179 0.000 0.887 718 Q CB 2.101 30.516 28.738 -0.537 0.000 1.516 718 Q HN 0.641 nan 8.270 nan 0.000 0.395 719 Q N 1.547 121.109 119.800 -0.397 0.000 2.451 719 Q HA 0.707 5.055 4.340 0.013 0.000 0.281 719 Q C -1.152 174.633 176.000 -0.359 0.000 1.099 719 Q CA -0.741 54.986 55.803 -0.127 0.000 0.806 719 Q CB 2.439 31.312 28.738 0.225 0.000 1.419 719 Q HN 0.599 nan 8.270 nan 0.000 0.427 720 W N 0.798 122.273 121.300 0.291 0.000 3.217 720 W HA 0.421 5.089 4.660 0.012 0.000 0.323 720 W C -0.558 175.972 176.519 0.018 0.000 1.216 720 W CA -0.619 56.816 57.345 0.151 0.000 1.194 720 W CB 1.763 31.260 29.460 0.061 0.000 1.397 720 W HN 0.469 nan 8.180 nan 0.000 0.537 721 R N 1.725 122.173 120.500 -0.087 0.000 2.390 721 R HA 0.510 4.858 4.340 0.013 0.000 0.291 721 R C 0.490 176.663 176.300 -0.212 0.000 1.070 721 R CA -0.259 55.506 56.100 -0.559 0.000 1.014 721 R CB 1.181 31.039 30.300 -0.737 0.000 1.007 721 R HN 0.274 nan 8.270 nan 0.000 0.466 722 L N 1.253 122.352 121.223 -0.207 0.000 2.884 722 L HA 0.519 4.867 4.340 0.013 0.000 0.199 722 L C 0.621 177.408 176.870 -0.138 0.000 1.828 722 L CA -1.139 53.631 54.840 -0.118 0.000 2.124 722 L CB -0.030 41.993 42.059 -0.060 0.000 2.736 722 L HN 0.606 nan 8.230 nan 0.000 0.592 723 A N 0.497 123.262 122.820 -0.092 0.000 2.531 723 A HA 0.102 4.430 4.320 0.013 0.000 0.236 723 A C -0.168 177.363 177.584 -0.088 0.000 1.062 723 A CA 0.313 52.304 52.037 -0.077 0.000 0.760 723 A CB -0.122 18.849 19.000 -0.049 0.000 0.995 723 A HN 0.635 nan 8.150 nan 0.000 0.501 724 E N 1.551 121.703 120.200 -0.079 0.000 2.210 724 E HA 0.327 4.685 4.350 0.013 0.000 0.266 724 E C -1.325 175.254 176.600 -0.036 0.000 0.883 724 E CA -0.705 55.651 56.400 -0.073 0.000 0.761 724 E CB 0.826 30.470 29.700 -0.095 0.000 1.156 724 E HN 0.664 nan 8.360 nan 0.000 0.412 725 N N 5.233 123.924 118.700 -0.015 0.000 2.626 725 N HA 0.255 5.002 4.740 0.013 0.000 0.242 725 N C -0.670 174.845 175.510 0.009 0.000 1.005 725 N CA -0.345 52.704 53.050 -0.001 0.000 0.905 725 N CB 1.050 39.540 38.487 0.006 0.000 1.128 725 N HN 0.475 nan 8.380 nan 0.000 0.512 726 L N 0.532 121.759 121.223 0.007 0.000 2.485 726 L HA 0.113 4.461 4.340 0.013 0.000 0.275 726 L C 1.341 178.225 176.870 0.022 0.000 1.207 726 L CA 0.146 54.996 54.840 0.016 0.000 0.855 726 L CB 0.304 42.371 42.059 0.015 0.000 1.114 726 L HN 0.297 nan 8.230 nan 0.000 0.485 727 S N 1.354 117.072 115.700 0.031 0.000 2.481 727 S HA 0.274 4.752 4.470 0.013 0.000 0.276 727 S C 0.544 175.161 174.600 0.029 0.000 1.247 727 S CA -0.703 57.517 58.200 0.033 0.000 1.053 727 S CB 0.691 63.916 63.200 0.043 0.000 0.925 727 S HN 0.500 nan 8.310 nan 0.000 0.491 728 V N 2.564 122.492 119.914 0.024 0.000 3.346 728 V HA 0.377 4.505 4.120 0.013 0.000 0.309 728 V C 0.539 176.645 176.094 0.020 0.000 1.457 728 V CA 0.171 62.483 62.300 0.021 0.000 1.069 728 V CB -0.388 31.444 31.823 0.016 0.000 0.944 728 V HN 0.822 nan 8.190 nan 0.000 0.449 729 T N 0.743 115.310 114.554 0.023 0.000 2.806 729 T HA 0.716 5.073 4.350 0.013 0.000 0.290 729 T C -0.340 174.373 174.700 0.022 0.000 0.966 729 T CA -0.457 61.655 62.100 0.021 0.000 1.060 729 T CB 1.327 70.208 68.868 0.021 0.000 0.927 729 T HN 0.274 nan 8.240 nan 0.000 0.485 730 L N 5.153 126.387 121.223 0.017 0.000 2.360 730 L HA 0.381 4.729 4.340 0.013 0.000 0.276 730 L C -1.433 175.446 176.870 0.015 0.000 1.121 730 L CA -1.558 53.292 54.840 0.016 0.000 0.845 730 L CB -0.703 41.361 42.059 0.009 0.000 1.143 730 L HN 0.586 nan 8.230 nan 0.000 0.452 731 P HA 0.131 nan 4.420 nan 0.000 0.267 731 P C -0.463 176.839 177.300 0.003 0.000 1.200 731 P CA -0.507 62.605 63.100 0.020 0.000 0.772 731 P CB 0.505 32.222 31.700 0.027 0.000 0.855 732 A N 2.273 125.096 122.820 0.004 0.000 2.540 732 A HA 0.401 4.728 4.320 0.013 0.000 0.239 732 A C 0.818 178.362 177.584 -0.067 0.000 1.061 732 A CA 0.116 52.142 52.037 -0.018 0.000 0.758 732 A CB -0.609 18.395 19.000 0.007 0.000 0.991 732 A HN 0.761 nan 8.150 nan 0.000 0.502 733 A N 3.189 125.946 122.820 -0.105 0.000 2.511 733 A HA 0.461 4.789 4.320 0.013 0.000 0.242 733 A C 0.938 178.314 177.584 -0.347 0.000 1.069 733 A CA 0.276 52.218 52.037 -0.158 0.000 0.763 733 A CB -0.345 18.588 19.000 -0.111 0.000 1.001 733 A HN 1.710 nan 8.150 nan 0.000 0.498 734 S N 2.837 118.383 115.700 -0.257 0.000 2.506 734 S HA 0.133 4.611 4.470 0.013 0.000 0.291 734 S C 0.644 175.102 174.600 -0.237 0.000 1.230 734 S CA 0.039 58.081 58.200 -0.264 0.000 1.107 734 S CB -0.244 62.915 63.200 -0.067 0.000 0.942 734 S HN 0.772 nan 8.310 nan 0.000 0.502 735 H N 3.330 122.407 119.070 0.012 0.000 2.280 735 H HA 0.057 4.621 4.556 0.013 0.000 0.294 735 H C 1.604 176.935 175.328 0.005 0.000 1.064 735 H CA 1.507 57.560 56.048 0.008 0.000 1.208 735 H CB -0.890 28.876 29.762 0.007 0.000 1.365 735 H HN 0.817 nan 8.280 nan 0.000 0.511 736 A N 0.970 123.888 122.820 0.165 0.000 2.267 736 A HA 0.509 4.837 4.320 0.013 0.000 0.276 736 A C 0.240 177.851 177.584 0.045 0.000 1.336 736 A CA 0.199 52.282 52.037 0.077 0.000 0.815 736 A CB -0.101 18.935 19.000 0.059 0.000 1.256 736 A HN 0.541 nan 8.150 nan 0.000 0.512 737 I N -1.445 119.139 120.570 0.024 0.000 2.667 737 I HA 0.453 4.631 4.170 0.013 0.000 0.288 737 I C -2.974 173.162 176.117 0.031 0.000 1.267 737 I CA -2.065 59.256 61.300 0.035 0.000 1.055 737 I CB 2.417 40.452 38.000 0.058 0.000 1.294 737 I HN 0.376 nan 8.210 nan 0.000 0.429 738 P HA 0.218 nan 4.420 nan 0.000 0.269 738 P C -1.274 176.136 177.300 0.183 0.000 1.209 738 P CA 0.410 63.543 63.100 0.055 0.000 0.776 738 P CB 0.317 32.016 31.700 -0.002 0.000 0.876 739 H N 0.581 119.677 119.070 0.042 0.000 2.457 739 H HA 0.425 4.989 4.556 0.013 0.000 0.335 739 H C -0.545 174.808 175.328 0.041 0.000 1.115 739 H CA -1.085 54.981 56.048 0.031 0.000 1.219 739 H CB 1.676 31.458 29.762 0.034 0.000 1.471 739 H HN 0.263 nan 8.280 nan 0.000 0.491 740 L N 2.824 124.108 121.223 0.102 0.000 2.282 740 L HA 0.306 4.654 4.340 0.013 0.000 0.288 740 L C -0.515 176.396 176.870 0.069 0.000 1.033 740 L CA -0.062 54.817 54.840 0.066 0.000 0.807 740 L CB 1.352 43.400 42.059 -0.018 0.000 1.209 740 L HN 0.540 nan 8.230 nan 0.000 0.423 741 T N 3.635 118.262 114.554 0.122 0.000 2.786 741 T HA 0.511 4.869 4.350 0.013 0.000 0.283 741 T C -0.201 174.603 174.700 0.175 0.000 0.992 741 T CA -0.357 61.810 62.100 0.111 0.000 0.954 741 T CB 1.103 70.027 68.868 0.093 0.000 0.934 741 T HN 0.674 nan 8.240 nan 0.000 0.440 742 T N 2.945 117.599 114.554 0.167 0.000 2.895 742 T HA 0.740 5.098 4.350 0.013 0.000 0.283 742 T C -0.000 174.749 174.700 0.082 0.000 1.014 742 T CA -0.715 61.516 62.100 0.219 0.000 1.037 742 T CB 1.231 70.246 68.868 0.245 0.000 1.006 742 T HN 0.730 nan 8.240 nan 0.000 0.468 743 S N 0.546 116.248 115.700 0.004 0.000 2.618 743 S HA 0.429 4.907 4.470 0.013 0.000 0.277 743 S C 0.777 175.319 174.600 -0.097 0.000 1.138 743 S CA -0.920 57.261 58.200 -0.030 0.000 0.844 743 S CB 1.802 64.992 63.200 -0.017 0.000 1.127 743 S HN 0.749 nan 8.310 nan 0.000 0.474 744 E N -0.385 119.772 120.200 -0.073 0.000 2.153 744 E HA -0.173 4.185 4.350 0.013 0.000 0.194 744 E C 1.444 177.956 176.600 -0.146 0.000 0.988 744 E CA 1.242 57.583 56.400 -0.098 0.000 0.811 744 E CB -0.111 29.555 29.700 -0.057 0.000 0.746 744 E HN 0.625 nan 8.360 nan 0.000 0.466 745 M N 0.360 119.891 119.600 -0.115 0.000 2.435 745 M HA 0.109 4.597 4.480 0.013 0.000 0.265 745 M C -0.594 175.631 176.300 -0.124 0.000 1.104 745 M CA 0.811 56.053 55.300 -0.098 0.000 1.140 745 M CB 0.812 33.388 32.600 -0.039 0.000 1.372 745 M HN -0.166 nan 8.290 nan 0.000 0.456 746 D N -1.402 118.903 120.400 -0.157 0.000 2.661 746 D HA 0.273 4.920 4.640 0.013 0.000 0.228 746 D C -1.508 174.701 176.300 -0.151 0.000 1.210 746 D CA -0.298 53.627 54.000 -0.125 0.000 0.826 746 D CB 1.509 42.333 40.800 0.040 0.000 1.542 746 D HN -0.009 nan 8.370 nan 0.000 0.447 747 F N 1.013 121.042 119.950 0.132 0.000 2.427 747 F HA 0.366 4.900 4.527 0.013 0.000 0.348 747 F C 0.072 176.004 175.800 0.220 0.000 1.125 747 F CA -0.746 57.330 58.000 0.126 0.000 0.989 747 F CB 1.272 40.313 39.000 0.068 0.000 1.165 747 F HN 0.078 nan 8.300 nan 0.000 0.442 748 C N 4.693 124.213 119.300 0.366 0.000 2.417 748 C HA 0.731 5.199 4.460 0.013 0.000 0.324 748 C C -0.219 174.944 174.990 0.289 0.000 1.240 748 C CA -0.850 58.361 59.018 0.320 0.000 1.632 748 C CB 0.776 28.639 27.740 0.206 0.000 2.241 748 C HN 0.530 nan 8.230 nan 0.000 0.499 749 I N 2.256 123.038 120.570 0.353 0.000 2.530 749 I HA 0.528 4.706 4.170 0.013 0.000 0.297 749 I C -0.028 176.325 176.117 0.395 0.000 1.011 749 I CA -0.184 61.294 61.300 0.296 0.000 1.107 749 I CB 1.392 39.510 38.000 0.197 0.000 1.285 749 I HN 0.698 nan 8.210 nan 0.000 0.436 750 E N 5.607 125.985 120.200 0.296 0.000 2.266 750 E HA 0.747 5.105 4.350 0.013 0.000 0.268 750 E C -1.915 174.832 176.600 0.244 0.000 0.879 750 E CA -0.814 55.746 56.400 0.267 0.000 0.762 750 E CB 2.221 31.995 29.700 0.125 0.000 1.199 750 E HN 0.535 nan 8.360 nan 0.000 0.422 751 L N 4.817 126.204 121.223 0.274 0.000 2.661 751 L HA 0.502 4.850 4.340 0.013 0.000 0.263 751 L C 0.080 177.021 176.870 0.118 0.000 0.956 751 L CA 0.761 55.721 54.840 0.200 0.000 0.918 751 L CB 1.308 43.538 42.059 0.285 0.000 1.280 751 L HN 0.845 nan 8.230 nan 0.000 0.416 752 G N 4.340 113.159 108.800 0.030 0.000 2.583 752 G HA2 -0.418 3.549 3.960 0.013 0.000 0.292 752 G HA3 -0.418 3.549 3.960 0.013 0.000 0.292 752 G C 0.504 175.393 174.900 -0.020 0.000 1.203 752 G CA 0.600 45.699 45.100 -0.001 0.000 0.987 752 G HN 1.291 nan 8.290 nan 0.000 0.554 753 N N 1.272 119.951 118.700 -0.035 0.000 2.383 753 N HA 0.098 4.845 4.740 0.013 0.000 0.192 753 N C 0.416 175.873 175.510 -0.089 0.000 1.141 753 N CA 0.785 53.800 53.050 -0.059 0.000 0.851 753 N CB 0.181 38.635 38.487 -0.056 0.000 0.976 753 N HN 0.722 nan 8.380 nan 0.000 0.465 754 K N 0.982 121.325 120.400 -0.096 0.000 2.156 754 K HA 0.385 4.713 4.320 0.013 0.000 0.271 754 K C -0.154 176.312 176.600 -0.222 0.000 0.995 754 K CA -0.570 55.551 56.287 -0.277 0.000 0.890 754 K CB 1.293 33.563 32.500 -0.384 0.000 1.073 754 K HN 0.225 nan 8.250 nan 0.000 0.454 755 R N 2.464 122.741 120.500 -0.371 0.000 2.604 755 R HA 0.431 4.779 4.340 0.013 0.000 0.281 755 R C -1.201 175.126 176.300 0.046 0.000 1.020 755 R CA -0.956 55.137 56.100 -0.012 0.000 0.899 755 R CB 1.539 31.805 30.300 -0.057 0.000 1.205 755 R HN 0.528 nan 8.270 nan 0.000 0.450 756 W N 1.898 123.302 121.300 0.174 0.000 2.819 756 W HA 0.371 5.038 4.660 0.013 0.000 0.337 756 W C -0.498 176.098 176.519 0.127 0.000 1.077 756 W CA -0.729 56.666 57.345 0.083 0.000 1.226 756 W CB 2.676 32.148 29.460 0.020 0.000 1.419 756 W HN 0.513 nan 8.180 nan 0.000 0.502 757 Q N 2.283 122.199 119.800 0.194 0.000 2.321 757 Q HA 0.442 4.790 4.340 0.013 0.000 0.270 757 Q C -1.931 174.016 176.000 -0.089 0.000 1.032 757 Q CA -0.486 55.420 55.803 0.172 0.000 0.784 757 Q CB 1.472 30.384 28.738 0.289 0.000 1.264 757 Q HN 0.361 nan 8.270 nan 0.000 0.448 758 F N 2.861 122.903 119.950 0.153 0.000 2.427 758 F HA 0.313 4.848 4.527 0.013 0.000 0.348 758 F C 0.483 176.314 175.800 0.052 0.000 1.125 758 F CA -0.910 57.145 58.000 0.092 0.000 0.989 758 F CB 1.285 40.335 39.000 0.084 0.000 1.165 758 F HN 0.489 nan 8.300 nan 0.000 0.442 759 N N 3.685 122.500 118.700 0.191 0.000 2.431 759 N HA 0.052 4.800 4.740 0.013 0.000 0.265 759 N C 0.873 176.399 175.510 0.027 0.000 1.184 759 N CA 0.068 53.173 53.050 0.092 0.000 0.943 759 N CB 0.690 39.241 38.487 0.106 0.000 1.080 759 N HN 0.695 nan 8.380 nan 0.000 0.477 760 R N 2.197 122.639 120.500 -0.096 0.000 2.276 760 R HA -0.052 4.296 4.340 0.013 0.000 0.203 760 R C 1.668 177.907 176.300 -0.102 0.000 1.017 760 R CA 0.657 56.650 56.100 -0.177 0.000 1.010 760 R CB 0.181 30.249 30.300 -0.387 0.000 0.900 760 R HN 0.672 nan 8.270 nan 0.000 0.469 761 Q N 0.277 120.047 119.800 -0.050 0.000 2.297 761 Q HA -0.040 4.308 4.340 0.013 0.000 0.203 761 Q C 1.642 177.636 176.000 -0.010 0.000 0.931 761 Q CA 1.365 57.149 55.803 -0.032 0.000 0.885 761 Q CB 0.385 29.119 28.738 -0.007 0.000 0.991 761 Q HN 0.336 nan 8.270 nan 0.000 0.498 762 S N -1.823 113.899 115.700 0.037 0.000 2.486 762 S HA 0.179 4.657 4.470 0.013 0.000 0.220 762 S C 1.375 175.924 174.600 -0.084 0.000 1.011 762 S CA 0.714 58.967 58.200 0.089 0.000 0.921 762 S CB 0.493 63.852 63.200 0.266 0.000 0.785 762 S HN 0.542 nan 8.310 nan 0.000 0.517 763 G N 0.488 109.246 108.800 -0.069 0.000 2.143 763 G HA2 -0.231 3.737 3.960 0.013 0.000 0.248 763 G HA3 -0.231 3.737 3.960 0.013 0.000 0.248 763 G C -0.119 174.705 174.900 -0.127 0.000 0.991 763 G CA 0.325 45.350 45.100 -0.125 0.000 0.689 763 G HN 0.537 nan 8.290 nan 0.000 0.522 764 F N -1.367 118.767 119.950 0.307 0.000 2.556 764 F HA 0.649 5.183 4.527 0.013 0.000 0.327 764 F C 0.538 176.418 175.800 0.133 0.000 1.059 764 F CA -1.495 56.664 58.000 0.265 0.000 0.953 764 F CB 1.426 40.535 39.000 0.181 0.000 1.227 764 F HN -0.016 nan 8.300 nan 0.000 0.478 765 L N 2.259 123.593 121.223 0.185 0.000 2.638 765 L HA 0.062 4.410 4.340 0.013 0.000 0.273 765 L C 1.113 177.901 176.870 -0.137 0.000 1.147 765 L CA 0.501 55.102 54.840 -0.399 0.000 0.941 765 L CB 0.096 41.932 42.059 -0.371 0.000 1.251 765 L HN 0.708 nan 8.230 nan 0.000 0.479 766 S N 2.671 118.295 115.700 -0.126 0.000 2.503 766 S HA 0.226 4.704 4.470 0.013 0.000 0.215 766 S C 0.582 175.072 174.600 -0.182 0.000 1.003 766 S CA -0.036 58.122 58.200 -0.070 0.000 0.910 766 S CB 0.170 63.376 63.200 0.010 0.000 0.790 766 S HN 0.678 nan 8.310 nan 0.000 0.514 767 Q N -0.188 119.450 119.800 -0.269 0.000 2.522 767 Q HA 0.670 5.017 4.340 0.013 0.000 0.285 767 Q C -1.977 173.716 176.000 -0.511 0.000 0.982 767 Q CA -0.340 55.174 55.803 -0.482 0.000 0.805 767 Q CB 1.739 30.082 28.738 -0.660 0.000 1.457 767 Q HN 0.434 nan 8.270 nan 0.000 0.394 768 M N 1.661 120.819 119.600 -0.736 0.000 2.421 768 M HA 0.572 5.060 4.480 0.013 0.000 0.287 768 M C -1.575 174.371 176.300 -0.589 0.000 1.183 768 M CA -0.381 54.588 55.300 -0.552 0.000 0.916 768 M CB 2.265 34.501 32.600 -0.606 0.000 1.701 768 M HN 0.545 nan 8.290 nan 0.000 0.470 769 W N 3.315 124.401 121.300 -0.357 0.000 3.022 769 W HA 0.619 5.287 4.660 0.013 0.000 0.335 769 W C -1.304 175.031 176.519 -0.307 0.000 1.133 769 W CA -0.756 56.435 57.345 -0.257 0.000 1.219 769 W CB 1.670 31.024 29.460 -0.177 0.000 1.409 769 W HN 0.460 nan 8.180 nan 0.000 0.507 770 I N 2.772 123.355 120.570 0.021 0.000 2.354 770 I HA 0.415 4.593 4.170 0.013 0.000 0.286 770 I C 0.909 177.023 176.117 -0.005 0.000 1.007 770 I CA 0.354 61.616 61.300 -0.063 0.000 1.167 770 I CB 0.919 38.857 38.000 -0.103 0.000 1.320 770 I HN 0.762 nan 8.210 nan 0.000 0.458 771 G N 5.881 114.665 108.800 -0.027 0.000 2.566 771 G HA2 -0.349 3.619 3.960 0.013 0.000 0.280 771 G HA3 -0.349 3.619 3.960 0.013 0.000 0.280 771 G C 0.173 175.084 174.900 0.018 0.000 1.225 771 G CA 0.653 45.740 45.100 -0.022 0.000 0.966 771 G HN 0.790 nan 8.290 nan 0.000 0.560 772 D N 0.555 120.972 120.400 0.028 0.000 2.340 772 D HA 0.334 4.982 4.640 0.013 0.000 0.220 772 D C 0.919 177.350 176.300 0.218 0.000 1.039 772 D CA 0.777 54.826 54.000 0.082 0.000 0.866 772 D CB 0.300 41.116 40.800 0.026 0.000 0.913 772 D HN 0.602 nan 8.370 nan 0.000 0.523 773 K N 1.447 121.933 120.400 0.142 0.000 2.297 773 K HA 0.195 4.523 4.320 0.013 0.000 0.286 773 K C -0.415 176.190 176.600 0.009 0.000 1.053 773 K CA -0.511 55.822 56.287 0.077 0.000 0.940 773 K CB 0.753 33.254 32.500 0.001 0.000 1.019 773 K HN -0.241 nan 8.250 nan 0.000 0.475 774 K N 2.851 123.169 120.400 -0.137 0.000 2.270 774 K HA 0.071 4.399 4.320 0.013 0.000 0.276 774 K C 0.512 176.924 176.600 -0.313 0.000 1.023 774 K CA -0.148 55.853 56.287 -0.477 0.000 0.955 774 K CB 0.908 33.130 32.500 -0.465 0.000 0.975 774 K HN 0.596 nan 8.250 nan 0.000 0.471 775 Q N 1.618 121.200 119.800 -0.363 0.000 2.350 775 Q HA 0.187 4.534 4.340 0.013 0.000 0.225 775 Q C -0.078 175.840 176.000 -0.136 0.000 0.878 775 Q CA 0.416 56.127 55.803 -0.153 0.000 0.935 775 Q CB 0.577 29.283 28.738 -0.054 0.000 1.099 775 Q HN 0.472 nan 8.270 nan 0.000 0.527 776 L N 1.056 122.131 121.223 -0.247 0.000 2.329 776 L HA 0.396 4.743 4.340 0.013 0.000 0.279 776 L C 1.000 177.737 176.870 -0.222 0.000 1.014 776 L CA -0.367 54.345 54.840 -0.214 0.000 0.814 776 L CB 1.597 43.517 42.059 -0.231 0.000 1.257 776 L HN -0.062 nan 8.230 nan 0.000 0.424 777 L N 0.507 121.598 121.223 -0.220 0.000 2.357 777 L HA 0.209 4.556 4.340 0.013 0.000 0.211 777 L C 0.228 176.994 176.870 -0.173 0.000 1.075 777 L CA 0.742 55.463 54.840 -0.199 0.000 0.830 777 L CB 0.320 42.252 42.059 -0.213 0.000 0.996 777 L HN 0.609 nan 8.230 nan 0.000 0.467 778 T N 0.518 114.940 114.554 -0.220 0.000 2.881 778 T HA 0.401 4.759 4.350 0.013 0.000 0.290 778 T C -2.568 172.059 174.700 -0.123 0.000 1.000 778 T CA -1.218 60.798 62.100 -0.140 0.000 0.978 778 T CB 2.369 71.153 68.868 -0.139 0.000 0.997 778 T HN -0.250 nan 8.240 nan 0.000 0.443 779 P HA 0.118 nan 4.420 nan 0.000 0.269 779 P C -0.474 176.794 177.300 -0.054 0.000 1.217 779 P CA -0.710 62.363 63.100 -0.046 0.000 0.783 779 P CB 0.443 32.153 31.700 0.017 0.000 0.898 780 L N 3.344 124.574 121.223 0.012 0.000 2.325 780 L HA 0.225 4.572 4.340 0.013 0.000 0.284 780 L C 0.188 177.013 176.870 -0.075 0.000 1.089 780 L CA 0.636 55.514 54.840 0.063 0.000 0.836 780 L CB -0.584 41.622 42.059 0.246 0.000 1.184 780 L HN 0.270 nan 8.230 nan 0.000 0.444 781 R N 2.883 123.221 120.500 -0.270 0.000 2.854 781 R HA 0.457 4.805 4.340 0.013 0.000 0.271 781 R C -0.914 175.223 176.300 -0.272 0.000 0.994 781 R CA -1.070 54.636 56.100 -0.656 0.000 0.945 781 R CB 1.279 31.108 30.300 -0.785 0.000 1.194 781 R HN 0.549 nan 8.270 nan 0.000 0.476 782 D N 1.173 121.494 120.400 -0.132 0.000 2.382 782 D HA 0.041 4.689 4.640 0.013 0.000 0.240 782 D C -0.418 175.516 176.300 -0.611 0.000 1.146 782 D CA 0.456 54.267 54.000 -0.315 0.000 0.897 782 D CB 0.658 41.250 40.800 -0.346 0.000 1.197 782 D HN 0.182 nan 8.370 nan 0.000 0.432 783 Q N 0.947 120.163 119.800 -0.973 0.000 2.271 783 Q HA 0.325 4.672 4.340 0.013 0.000 0.268 783 Q C -1.185 174.049 176.000 -1.276 0.000 1.021 783 Q CA -0.554 54.736 55.803 -0.855 0.000 0.802 783 Q CB 0.868 29.314 28.738 -0.487 0.000 1.282 783 Q HN 0.552 nan 8.270 nan 0.000 0.431 784 F N 0.378 119.942 119.950 -0.644 0.000 2.706 784 F HA 0.188 4.723 4.527 0.013 0.000 0.313 784 F C 0.627 175.983 175.800 -0.741 0.000 1.096 784 F CA -0.171 57.324 58.000 -0.842 0.000 1.219 784 F CB 1.538 39.672 39.000 -1.445 0.000 1.051 784 F HN 0.391 nan 8.300 nan 0.000 0.568 785 T N -0.717 113.523 114.554 -0.523 0.000 2.916 785 T HA 0.736 5.094 4.350 0.013 0.000 0.292 785 T C -0.638 173.828 174.700 -0.390 0.000 1.064 785 T CA -0.997 60.739 62.100 -0.607 0.000 1.011 785 T CB 2.636 71.041 68.868 -0.772 0.000 1.152 785 T HN 0.248 nan 8.240 nan 0.000 0.510 786 R N 0.196 120.516 120.500 -0.300 0.000 2.628 786 R HA 0.758 5.106 4.340 0.013 0.000 0.288 786 R C -0.605 175.758 176.300 0.105 0.000 0.980 786 R CA -1.086 54.957 56.100 -0.095 0.000 0.891 786 R CB 1.533 31.767 30.300 -0.110 0.000 1.188 786 R HN 0.833 nan 8.270 nan 0.000 0.450 787 A N 4.943 127.809 122.820 0.077 0.000 2.537 787 A HA 0.230 4.558 4.320 0.013 0.000 0.260 787 A C -1.907 175.742 177.584 0.110 0.000 1.082 787 A CA -1.155 50.923 52.037 0.068 0.000 0.765 787 A CB -0.584 18.397 19.000 -0.032 0.000 1.019 787 A HN 0.625 nan 8.150 nan 0.000 0.507 788 P HA -0.008 nan 4.420 nan 0.000 0.259 788 P C -0.223 177.188 177.300 0.185 0.000 1.163 788 P CA 0.660 63.918 63.100 0.263 0.000 0.760 788 P CB 0.200 32.072 31.700 0.286 0.000 0.762 789 L N 2.848 124.153 121.223 0.136 0.000 2.466 789 L HA 0.135 4.483 4.340 0.013 0.000 0.257 789 L C 1.892 178.788 176.870 0.042 0.000 1.189 789 L CA -0.379 54.476 54.840 0.026 0.000 0.813 789 L CB 0.003 42.016 42.059 -0.077 0.000 1.118 789 L HN 0.293 nan 8.230 nan 0.000 0.471 790 D N 0.370 120.745 120.400 -0.041 0.000 2.158 790 D HA -0.164 4.484 4.640 0.013 0.000 0.197 790 D C 1.573 177.827 176.300 -0.076 0.000 0.995 790 D CA 1.316 55.234 54.000 -0.136 0.000 0.846 790 D CB 0.041 40.672 40.800 -0.282 0.000 0.941 790 D HN 0.465 nan 8.370 nan 0.000 0.456 791 N N 0.947 119.608 118.700 -0.066 0.000 2.381 791 N HA -0.104 4.644 4.740 0.013 0.000 0.182 791 N C 1.061 176.592 175.510 0.035 0.000 1.025 791 N CA 0.667 53.701 53.050 -0.027 0.000 0.888 791 N CB -0.062 38.397 38.487 -0.047 0.000 0.965 791 N HN 0.273 nan 8.380 nan 0.000 0.438 792 D N 0.343 120.782 120.400 0.065 0.000 2.277 792 D HA 0.074 4.722 4.640 0.013 0.000 0.208 792 D C 1.950 178.302 176.300 0.086 0.000 0.962 792 D CA 0.256 54.328 54.000 0.119 0.000 0.865 792 D CB 0.278 41.223 40.800 0.241 0.000 0.939 792 D HN 0.319 nan 8.370 nan 0.000 0.510 793 I N 0.233 120.846 120.570 0.071 0.000 2.480 793 I HA 0.051 4.229 4.170 0.013 0.000 0.251 793 I C 1.756 177.906 176.117 0.055 0.000 1.124 793 I CA 0.609 61.942 61.300 0.055 0.000 1.444 793 I CB -0.225 37.792 38.000 0.027 0.000 1.098 793 I HN 0.046 nan 8.210 nan 0.000 0.428 794 G N 1.305 110.154 108.800 0.082 0.000 2.550 794 G HA2 -0.337 3.631 3.960 0.013 0.000 0.277 794 G HA3 -0.337 3.631 3.960 0.013 0.000 0.277 794 G C 0.629 175.661 174.900 0.221 0.000 1.190 794 G CA 0.654 45.838 45.100 0.139 0.000 0.971 794 G HN 0.509 nan 8.290 nan 0.000 0.559 795 V N -2.049 117.938 119.914 0.121 0.000 3.596 795 V HA 0.612 4.740 4.120 0.013 0.000 0.289 795 V C 1.380 177.468 176.094 -0.011 0.000 1.336 795 V CA 1.282 63.590 62.300 0.014 0.000 1.137 795 V CB 0.157 31.902 31.823 -0.130 0.000 0.966 795 V HN 1.636 nan 8.190 nan 0.000 0.428 796 S N 1.826 117.534 115.700 0.014 0.000 2.811 796 S HA 0.037 4.515 4.470 0.013 0.000 0.325 796 S C 0.243 174.844 174.600 0.002 0.000 1.224 796 S CA 0.361 58.559 58.200 -0.003 0.000 1.125 796 S CB -0.510 62.689 63.200 -0.003 0.000 0.867 796 S HN 0.824 nan 8.310 nan 0.000 0.512 797 E N 2.504 122.697 120.200 -0.012 0.000 2.264 797 E HA 0.601 4.959 4.350 0.013 0.000 0.260 797 E C 0.694 177.296 176.600 0.002 0.000 0.961 797 E CA -0.596 55.802 56.400 -0.003 0.000 0.834 797 E CB 1.145 30.835 29.700 -0.018 0.000 1.230 797 E HN 0.581 nan 8.360 nan 0.000 0.412 798 A N 0.354 123.182 122.820 0.013 0.000 2.123 798 A HA -0.091 4.237 4.320 0.013 0.000 0.214 798 A C 1.926 179.515 177.584 0.008 0.000 1.152 798 A CA 1.629 53.675 52.037 0.015 0.000 0.728 798 A CB -0.517 18.498 19.000 0.025 0.000 0.814 798 A HN 0.658 nan 8.150 nan 0.000 0.464 799 T N -2.222 112.333 114.554 0.003 0.000 2.837 799 T HA 0.081 4.439 4.350 0.013 0.000 0.248 799 T C 1.136 175.826 174.700 -0.017 0.000 1.033 799 T CA 0.609 62.706 62.100 -0.005 0.000 1.150 799 T CB -0.087 68.777 68.868 -0.005 0.000 0.865 799 T HN 0.252 nan 8.240 nan 0.000 0.425 800 R N 1.247 121.732 120.500 -0.026 0.000 2.724 800 R HA 0.393 4.740 4.340 0.013 0.000 0.284 800 R C -0.082 176.194 176.300 -0.040 0.000 1.481 800 R CA -0.606 55.469 56.100 -0.040 0.000 1.652 800 R CB 0.138 30.402 30.300 -0.059 0.000 1.175 800 R HN 0.347 nan 8.270 nan 0.000 0.613 801 I N 0.628 121.180 120.570 -0.030 0.000 3.558 801 I HA -0.195 3.983 4.170 0.013 0.000 0.204 801 I C 0.712 176.803 176.117 -0.042 0.000 1.400 801 I CA 1.143 62.426 61.300 -0.029 0.000 0.982 801 I CB 0.207 38.192 38.000 -0.025 0.000 1.592 801 I HN 0.514 nan 8.210 nan 0.000 0.902 802 D N 0.889 121.260 120.400 -0.048 0.000 3.361 802 D HA 0.183 4.830 4.640 0.013 0.000 0.246 802 D C -1.685 174.562 176.300 -0.087 0.000 1.395 802 D CA -0.918 53.045 54.000 -0.062 0.000 0.839 802 D CB 0.478 41.245 40.800 -0.055 0.000 1.469 802 D HN 0.066 nan 8.370 nan 0.000 0.636 803 P HA -0.292 nan 4.420 nan 0.000 0.225 803 P C 1.045 178.248 177.300 -0.162 0.000 1.154 803 P CA 1.356 64.393 63.100 -0.105 0.000 0.885 803 P CB 0.100 31.746 31.700 -0.089 0.000 0.785 804 N N -0.590 118.009 118.700 -0.167 0.000 2.446 804 N HA 0.021 4.769 4.740 0.013 0.000 0.179 804 N C 0.483 175.793 175.510 -0.333 0.000 1.054 804 N CA 0.070 52.975 53.050 -0.240 0.000 0.905 804 N CB -0.050 38.328 38.487 -0.181 0.000 0.973 804 N HN 0.059 nan 8.380 nan 0.000 0.448 805 A N 0.269 122.940 122.820 -0.248 0.000 2.445 805 A HA 0.044 4.372 4.320 0.013 0.000 0.242 805 A C 0.568 177.919 177.584 -0.387 0.000 1.075 805 A CA -0.426 51.459 52.037 -0.253 0.000 0.777 805 A CB -0.121 18.810 19.000 -0.114 0.000 1.013 805 A HN 0.459 nan 8.150 nan 0.000 0.493 806 W N 1.480 122.523 121.300 -0.429 0.000 2.318 806 W HA -0.172 4.495 4.660 0.012 0.000 0.313 806 W C 2.191 178.097 176.519 -1.021 0.000 1.221 806 W CA 1.716 58.528 57.345 -0.889 0.000 1.266 806 W CB -0.296 28.561 29.460 -1.005 0.000 1.150 806 W HN 0.531 nan 8.180 nan 0.000 0.496 807 V N 0.645 120.408 119.914 -0.252 0.000 2.490 807 V HA -0.236 3.892 4.120 0.013 0.000 0.250 807 V C 2.142 178.293 176.094 0.095 0.000 1.061 807 V CA 1.935 64.292 62.300 0.094 0.000 1.064 807 V CB -0.316 31.628 31.823 0.203 0.000 0.670 807 V HN 0.061 nan 8.190 nan 0.000 0.461 808 E N 0.188 120.355 120.200 -0.054 0.000 2.072 808 E HA -0.146 4.212 4.350 0.013 0.000 0.190 808 E C 2.348 178.900 176.600 -0.080 0.000 0.982 808 E CA 1.115 57.487 56.400 -0.048 0.000 0.803 808 E CB -0.331 29.320 29.700 -0.082 0.000 0.755 808 E HN 0.633 nan 8.360 nan 0.000 0.453 809 R N 0.055 120.423 120.500 -0.220 0.000 2.091 809 R HA -0.131 4.217 4.340 0.013 0.000 0.238 809 R C 2.355 178.579 176.300 -0.127 0.000 1.136 809 R CA 1.435 57.384 56.100 -0.251 0.000 0.959 809 R CB -0.344 29.692 30.300 -0.440 0.000 0.856 809 R HN 0.274 nan 8.270 nan 0.000 0.437 810 W N 1.791 123.070 121.300 -0.036 0.000 2.358 810 W HA -0.071 4.597 4.660 0.013 0.000 0.303 810 W C 1.927 178.427 176.519 -0.033 0.000 1.208 810 W CA 0.630 57.880 57.345 -0.157 0.000 1.274 810 W CB -0.625 28.839 29.460 0.008 0.000 1.138 810 W HN 0.152 nan 8.180 nan 0.000 0.515 811 K N 0.416 121.015 120.400 0.333 0.000 2.026 811 K HA -0.050 4.277 4.320 0.013 0.000 0.208 811 K C 2.314 178.959 176.600 0.076 0.000 1.048 811 K CA 1.586 58.021 56.287 0.247 0.000 0.929 811 K CB -0.747 31.856 32.500 0.171 0.000 0.713 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.717 124.557 122.820 0.033 0.000 1.978 812 A HA -0.129 4.199 4.320 0.013 0.000 0.220 812 A C 2.306 179.875 177.584 -0.024 0.000 1.170 812 A CA 1.903 53.940 52.037 0.000 0.000 0.636 812 A CB -0.580 18.408 19.000 -0.019 0.000 0.810 812 A HN 0.363 nan 8.150 nan 0.000 0.448 813 A N -2.121 120.666 122.820 -0.055 0.000 2.208 813 A HA 0.403 4.731 4.320 0.013 0.000 0.209 813 A C 1.897 179.418 177.584 -0.105 0.000 1.161 813 A CA 1.226 53.234 52.037 -0.049 0.000 0.782 813 A CB -0.832 18.087 19.000 -0.134 0.000 0.816 813 A HN 1.894 nan 8.150 nan 0.000 0.477 814 G N -1.312 107.340 108.800 -0.246 0.000 2.148 814 G HA2 -0.338 3.630 3.960 0.013 0.000 0.254 814 G HA3 -0.338 3.630 3.960 0.013 0.000 0.254 814 G C 0.624 175.509 174.900 -0.025 0.000 0.981 814 G CA 0.794 45.548 45.100 -0.575 0.000 0.670 814 G HN 0.765 nan 8.290 nan 0.000 0.528 815 H N -1.457 117.601 119.070 -0.020 0.000 2.387 815 H HA -0.129 4.434 4.556 0.013 0.000 0.299 815 H C 2.260 177.574 175.328 -0.023 0.000 1.099 815 H CA 1.647 57.707 56.048 0.019 0.000 1.315 815 H CB -0.004 29.735 29.762 -0.039 0.000 1.380 815 H HN 0.607 nan 8.280 nan 0.000 0.513 816 Y N 0.736 121.168 120.300 0.221 0.000 2.439 816 Y HA -0.116 4.441 4.550 0.013 0.000 0.292 816 Y C 1.742 177.738 175.900 0.160 0.000 1.130 816 Y CA 0.776 58.971 58.100 0.157 0.000 1.254 816 Y CB 0.265 38.796 38.460 0.120 0.000 1.000 816 Y HN 0.217 nan 8.280 nan 0.000 0.554 817 Q N -0.201 119.765 119.800 0.276 0.000 2.219 817 Q HA 0.340 4.688 4.340 0.013 0.000 0.209 817 Q C 0.408 176.617 176.000 0.347 0.000 0.854 817 Q CA -0.117 55.855 55.803 0.283 0.000 0.960 817 Q CB 0.700 29.601 28.738 0.272 0.000 1.116 817 Q HN 0.240 nan 8.270 nan 0.000 0.500 818 A N 1.501 124.553 122.820 0.386 0.000 2.498 818 A HA 0.106 4.434 4.320 0.013 0.000 0.239 818 A C 0.047 177.907 177.584 0.461 0.000 1.068 818 A CA 0.061 52.379 52.037 0.468 0.000 0.766 818 A CB 0.336 19.683 19.000 0.579 0.000 1.003 818 A HN 0.123 nan 8.150 nan 0.000 0.497 819 E N 0.764 121.143 120.200 0.298 0.000 2.191 819 E HA 0.471 4.828 4.350 0.013 0.000 0.274 819 E C -0.475 176.082 176.600 -0.071 0.000 0.948 819 E CA -0.573 55.925 56.400 0.163 0.000 0.802 819 E CB 1.988 31.755 29.700 0.111 0.000 1.137 819 E HN 0.674 nan 8.360 nan 0.000 0.397 820 A N 2.161 124.849 122.820 -0.219 0.000 2.666 820 A HA 0.452 4.780 4.320 0.013 0.000 0.312 820 A C 0.293 177.724 177.584 -0.255 0.000 1.471 820 A CA -0.347 51.325 52.037 -0.609 0.000 1.134 820 A CB -0.325 18.323 19.000 -0.588 0.000 1.129 820 A HN 0.562 nan 8.150 nan 0.000 0.539 821 A N 2.525 125.211 122.820 -0.224 0.000 2.492 821 A HA 0.452 4.780 4.320 0.013 0.000 0.254 821 A C 0.133 177.629 177.584 -0.146 0.000 1.091 821 A CA -0.296 51.668 52.037 -0.121 0.000 0.768 821 A CB -0.063 18.889 19.000 -0.081 0.000 1.028 821 A HN 1.153 nan 8.150 nan 0.000 0.498 822 L N 3.413 124.546 121.223 -0.150 0.000 2.360 822 L HA 0.288 4.636 4.340 0.013 0.000 0.276 822 L C 0.580 177.318 176.870 -0.221 0.000 1.121 822 L CA 0.299 54.967 54.840 -0.287 0.000 0.845 822 L CB 0.294 42.211 42.059 -0.236 0.000 1.143 822 L HN 0.739 nan 8.230 nan 0.000 0.452 823 L N 3.784 124.857 121.223 -0.250 0.000 2.515 823 L HA 0.297 4.645 4.340 0.013 0.000 0.223 823 L C 0.368 177.167 176.870 -0.118 0.000 1.079 823 L CA 0.054 54.815 54.840 -0.131 0.000 0.857 823 L CB 0.024 42.042 42.059 -0.069 0.000 1.050 823 L HN 0.779 nan 8.230 nan 0.000 0.476 824 Q N -0.303 119.395 119.800 -0.169 0.000 2.574 824 Q HA 0.267 4.614 4.340 0.013 0.000 0.265 824 Q C -2.074 173.863 176.000 -0.105 0.000 0.975 824 Q CA -0.611 55.134 55.803 -0.097 0.000 0.923 824 Q CB 2.544 31.253 28.738 -0.048 0.000 1.518 824 Q HN 0.019 nan 8.270 nan 0.000 0.401 825 C N 3.390 122.671 119.300 -0.032 0.000 2.679 825 C HA 0.827 5.294 4.460 0.013 0.000 0.354 825 C C -0.769 174.323 174.990 0.171 0.000 1.067 825 C CA 0.636 59.678 59.018 0.040 0.000 1.317 825 C CB 0.633 28.385 27.740 0.021 0.000 1.843 825 C HN 0.842 nan 8.230 nan 0.000 0.459 826 T N 2.475 117.083 114.554 0.089 0.000 2.901 826 T HA 0.894 5.252 4.350 0.013 0.000 0.293 826 T C -0.574 173.927 174.700 -0.332 0.000 1.084 826 T CA -0.354 61.747 62.100 0.002 0.000 1.008 826 T CB 1.933 70.778 68.868 -0.039 0.000 1.170 826 T HN 1.626 nan 8.240 nan 0.000 0.509 827 A N 1.528 123.976 122.820 -0.621 0.000 2.343 827 A HA 0.730 5.058 4.320 0.013 0.000 0.308 827 A C -1.165 176.161 177.584 -0.430 0.000 1.092 827 A CA -0.705 50.838 52.037 -0.823 0.000 0.751 827 A CB 1.077 19.041 19.000 -1.728 0.000 1.203 827 A HN 0.848 nan 8.150 nan 0.000 0.452 828 D N 1.467 121.681 120.400 -0.310 0.000 2.738 828 D HA 0.463 5.111 4.640 0.013 0.000 0.237 828 D C -0.794 175.412 176.300 -0.157 0.000 1.123 828 D CA 0.047 53.932 54.000 -0.192 0.000 0.856 828 D CB 2.316 43.034 40.800 -0.135 0.000 1.552 828 D HN 0.464 nan 8.370 nan 0.000 0.480 829 T N 1.813 116.297 114.554 -0.117 0.000 2.743 829 T HA 0.489 4.847 4.350 0.013 0.000 0.293 829 T C 0.639 175.302 174.700 -0.062 0.000 0.945 829 T CA -0.522 61.526 62.100 -0.085 0.000 1.030 829 T CB 0.870 69.697 68.868 -0.069 0.000 0.912 829 T HN 0.120 nan 8.240 nan 0.000 0.483 830 L N 1.473 122.665 121.223 -0.052 0.000 2.298 830 L HA 0.603 4.950 4.340 0.013 0.000 0.268 830 L C 1.900 178.757 176.870 -0.021 0.000 1.010 830 L CA -1.371 53.447 54.840 -0.037 0.000 0.812 830 L CB 0.714 42.749 42.059 -0.039 0.000 1.331 830 L HN 0.710 nan 8.230 nan 0.000 0.450 831 A N 0.696 123.506 122.820 -0.016 0.000 1.892 831 A HA -0.206 4.122 4.320 0.013 0.000 0.218 831 A C 1.200 178.783 177.584 -0.002 0.000 1.188 831 A CA 2.313 54.345 52.037 -0.008 0.000 0.631 831 A CB -0.498 18.496 19.000 -0.009 0.000 0.822 831 A HN 0.919 nan 8.150 nan 0.000 0.447 832 D N -2.735 117.660 120.400 -0.008 0.000 2.503 832 D HA 0.558 5.206 4.640 0.013 0.000 0.218 832 D C 0.141 176.434 176.300 -0.012 0.000 1.183 832 D CA 0.678 54.675 54.000 -0.006 0.000 0.827 832 D CB -0.109 40.683 40.800 -0.012 0.000 1.034 832 D HN 0.533 nan 8.370 nan 0.000 0.510 833 A N -0.562 122.245 122.820 -0.022 0.000 2.557 833 A HA 0.674 5.002 4.320 0.013 0.000 0.292 833 A C -1.775 175.774 177.584 -0.057 0.000 1.139 833 A CA -0.685 51.325 52.037 -0.044 0.000 0.665 833 A CB 1.431 20.400 19.000 -0.052 0.000 1.285 833 A HN 0.018 nan 8.150 nan 0.000 0.433 834 V N 0.348 120.207 119.914 -0.092 0.000 2.540 834 V HA 0.634 4.761 4.120 0.013 0.000 0.302 834 V C -1.132 174.872 176.094 -0.151 0.000 1.035 834 V CA -0.348 61.877 62.300 -0.125 0.000 0.873 834 V CB 1.358 33.104 31.823 -0.128 0.000 0.992 834 V HN 0.812 nan 8.190 nan 0.000 0.428 835 L N 6.350 127.472 121.223 -0.169 0.000 2.342 835 L HA 0.644 4.992 4.340 0.013 0.000 0.276 835 L C -0.907 175.818 176.870 -0.241 0.000 0.997 835 L CA -0.083 54.661 54.840 -0.161 0.000 0.838 835 L CB 1.187 43.181 42.059 -0.107 0.000 1.224 835 L HN 0.421 nan 8.230 nan 0.000 0.416 836 I N 4.043 124.454 120.570 -0.266 0.000 2.336 836 I HA 0.434 4.612 4.170 0.013 0.000 0.292 836 I C 0.128 176.181 176.117 -0.107 0.000 0.991 836 I CA -0.249 60.831 61.300 -0.368 0.000 1.227 836 I CB 1.262 38.763 38.000 -0.833 0.000 1.366 836 I HN 0.538 nan 8.210 nan 0.000 0.466 837 T N 4.951 119.450 114.554 -0.092 0.000 2.807 837 T HA 0.646 5.004 4.350 0.013 0.000 0.279 837 T C 0.223 174.950 174.700 0.045 0.000 0.993 837 T CA -0.583 61.526 62.100 0.016 0.000 0.970 837 T CB 1.771 70.630 68.868 -0.014 0.000 0.950 837 T HN 0.765 nan 8.240 nan 0.000 0.441 838 T N -0.562 114.066 114.554 0.123 0.000 2.906 838 T HA 0.865 5.223 4.350 0.013 0.000 0.295 838 T C -1.159 173.584 174.700 0.072 0.000 1.075 838 T CA -1.052 61.097 62.100 0.081 0.000 1.005 838 T CB 1.985 70.950 68.868 0.161 0.000 1.136 838 T HN 0.802 nan 8.240 nan 0.000 0.498 839 A N 1.771 124.538 122.820 -0.088 0.000 2.437 839 A HA 0.741 5.069 4.320 0.013 0.000 0.293 839 A C -1.431 176.002 177.584 -0.251 0.000 1.038 839 A CA -0.775 51.248 52.037 -0.023 0.000 0.708 839 A CB 0.821 19.825 19.000 0.006 0.000 1.251 839 A HN 1.012 nan 8.150 nan 0.000 0.409 840 H N 0.242 119.358 119.070 0.077 0.000 2.768 840 H HA 0.766 5.330 4.556 0.013 0.000 0.371 840 H C -0.072 175.286 175.328 0.050 0.000 1.151 840 H CA 0.211 56.224 56.048 -0.057 0.000 1.165 840 H CB 2.167 31.810 29.762 -0.198 0.000 1.722 840 H HN 0.975 nan 8.280 nan 0.000 0.543 841 A N 2.198 125.039 122.820 0.035 0.000 2.331 841 A HA 0.390 4.718 4.320 0.013 0.000 0.320 841 A C -1.284 176.299 177.584 -0.003 0.000 1.138 841 A CA -0.695 51.414 52.037 0.121 0.000 0.790 841 A CB 0.987 20.026 19.000 0.065 0.000 1.206 841 A HN 0.598 nan 8.150 nan 0.000 0.470 842 W N 2.134 123.521 121.300 0.146 0.000 2.349 842 W HA 0.439 5.107 4.660 0.013 0.000 0.309 842 W C -0.419 176.106 176.519 0.010 0.000 1.083 842 W CA -0.073 57.351 57.345 0.132 0.000 1.224 842 W CB 1.635 31.224 29.460 0.215 0.000 1.256 842 W HN 0.764 nan 8.180 nan 0.000 0.461 843 Q N 1.418 121.335 119.800 0.194 0.000 2.413 843 Q HA 0.362 4.710 4.340 0.013 0.000 0.276 843 Q C -0.825 175.288 176.000 0.188 0.000 1.099 843 Q CA -0.771 55.110 55.803 0.129 0.000 0.814 843 Q CB 3.457 32.231 28.738 0.060 0.000 1.379 843 Q HN 0.356 nan 8.270 nan 0.000 0.436 844 H N 2.390 121.491 119.070 0.052 0.000 2.727 844 H HA 0.095 4.659 4.556 0.013 0.000 0.330 844 H C -0.669 174.690 175.328 0.052 0.000 0.986 844 H CA -0.304 55.786 56.048 0.070 0.000 1.251 844 H CB 1.033 30.848 29.762 0.087 0.000 1.493 844 H HN 0.616 nan 8.280 nan 0.000 0.515 845 Q N 3.194 122.689 119.800 -0.507 0.000 2.439 845 Q HA -0.196 4.151 4.340 0.013 0.000 0.325 845 Q C 1.113 177.057 176.000 -0.093 0.000 1.372 845 Q CA 1.262 56.897 55.803 -0.280 0.000 0.909 845 Q CB -2.052 26.554 28.738 -0.220 0.000 1.167 845 Q HN 1.179 nan 8.270 nan 0.000 0.418 846 G N -0.925 107.841 108.800 -0.057 0.000 2.184 846 G HA2 -0.398 3.569 3.960 0.013 0.000 0.264 846 G HA3 -0.398 3.569 3.960 0.013 0.000 0.264 846 G C 0.121 175.025 174.900 0.007 0.000 0.975 846 G CA 0.808 45.898 45.100 -0.016 0.000 0.642 846 G HN 0.540 nan 8.290 nan 0.000 0.536 847 K N 1.207 121.622 120.400 0.024 0.000 2.185 847 K HA 0.621 4.949 4.320 0.013 0.000 0.269 847 K C -0.012 176.604 176.600 0.027 0.000 0.987 847 K CA -0.197 56.109 56.287 0.033 0.000 0.865 847 K CB 0.931 33.464 32.500 0.054 0.000 1.090 847 K HN -0.023 nan 8.250 nan 0.000 0.450 848 T N 6.102 120.663 114.554 0.012 0.000 2.737 848 T HA 0.189 4.546 4.350 0.013 0.000 0.296 848 T C 1.083 175.736 174.700 -0.080 0.000 0.922 848 T CA -0.379 61.724 62.100 0.004 0.000 1.079 848 T CB 0.312 69.197 68.868 0.029 0.000 0.892 848 T HN 0.560 nan 8.240 nan 0.000 0.514 849 L N 2.581 123.670 121.223 -0.224 0.000 2.084 849 L HA 0.316 4.664 4.340 0.013 0.000 0.202 849 L C 0.070 176.525 176.870 -0.692 0.000 1.074 849 L CA 0.912 55.374 54.840 -0.630 0.000 0.757 849 L CB -0.035 41.190 42.059 -1.390 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -0.824 119.067 119.950 -0.099 0.000 2.576 850 F HA 0.595 5.130 4.527 0.013 0.000 0.313 850 F C -0.373 175.505 175.800 0.130 0.000 1.078 850 F CA -0.832 57.042 58.000 -0.211 0.000 0.921 850 F CB 2.043 40.468 39.000 -0.958 0.000 1.232 850 F HN -0.299 nan 8.300 nan 0.000 0.459 851 I N 1.615 122.387 120.570 0.337 0.000 2.466 851 I HA 0.352 4.529 4.170 0.013 0.000 0.289 851 I C -0.828 175.543 176.117 0.424 0.000 1.026 851 I CA -0.514 61.021 61.300 0.392 0.000 1.078 851 I CB 2.235 40.380 38.000 0.242 0.000 1.249 851 I HN 0.581 nan 8.210 nan 0.000 0.429 852 S N 6.833 122.890 115.700 0.595 0.000 2.473 852 S HA 0.602 5.080 4.470 0.013 0.000 0.307 852 S C -0.744 174.111 174.600 0.424 0.000 1.094 852 S CA -0.706 57.817 58.200 0.539 0.000 1.070 852 S CB 0.936 64.587 63.200 0.752 0.000 1.019 852 S HN 0.577 nan 8.310 nan 0.000 0.480 853 R N 3.469 124.139 120.500 0.283 0.000 2.393 853 R HA 0.544 4.892 4.340 0.013 0.000 0.315 853 R C -0.688 175.696 176.300 0.140 0.000 0.952 853 R CA -0.729 55.490 56.100 0.198 0.000 0.842 853 R CB 1.783 32.169 30.300 0.144 0.000 1.163 853 R HN 0.560 nan 8.270 nan 0.000 0.450 854 K N 0.752 121.238 120.400 0.144 0.000 2.433 854 K HA 0.551 4.879 4.320 0.013 0.000 0.252 854 K C -0.745 175.872 176.600 0.027 0.000 1.015 854 K CA -0.902 55.403 56.287 0.030 0.000 0.860 854 K CB 2.587 35.095 32.500 0.013 0.000 1.359 854 K HN 0.642 nan 8.250 nan 0.000 0.452 855 T N -1.493 112.994 114.554 -0.112 0.000 2.982 855 T HA 0.506 4.864 4.350 0.013 0.000 0.321 855 T C -1.599 173.009 174.700 -0.154 0.000 1.229 855 T CA -0.805 61.284 62.100 -0.018 0.000 1.044 855 T CB 0.465 69.334 68.868 0.002 0.000 1.184 855 T HN 0.388 nan 8.240 nan 0.000 0.477 856 Y N 0.952 121.232 120.300 -0.034 0.000 2.326 856 Y HA 0.676 5.234 4.550 0.013 0.000 0.331 856 Y C 0.419 176.269 175.900 -0.083 0.000 0.962 856 Y CA -1.131 56.966 58.100 -0.004 0.000 1.167 856 Y CB 1.884 40.367 38.460 0.039 0.000 1.148 856 Y HN 0.748 nan 8.280 nan 0.000 0.463 857 R N 4.135 124.678 120.500 0.072 0.000 2.337 857 R HA 0.653 5.001 4.340 0.013 0.000 0.319 857 R C -1.605 174.663 176.300 -0.054 0.000 0.954 857 R CA -0.419 55.674 56.100 -0.010 0.000 0.840 857 R CB 0.524 30.819 30.300 -0.008 0.000 1.164 857 R HN 0.777 nan 8.270 nan 0.000 0.472 858 I N 5.088 125.565 120.570 -0.155 0.000 2.321 858 I HA 0.202 4.379 4.170 0.013 0.000 0.291 858 I C -0.082 175.925 176.117 -0.184 0.000 0.998 858 I CA -0.480 60.646 61.300 -0.290 0.000 1.227 858 I CB 1.324 38.920 38.000 -0.674 0.000 1.368 858 I HN 0.711 nan 8.210 nan 0.000 0.466 859 D N 4.263 124.596 120.400 -0.111 0.000 2.592 859 D HA 0.255 4.903 4.640 0.013 0.000 0.259 859 D C 1.157 177.451 176.300 -0.009 0.000 1.144 859 D CA -0.782 53.190 54.000 -0.047 0.000 1.080 859 D CB 0.815 41.607 40.800 -0.014 0.000 1.225 859 D HN 0.467 nan 8.370 nan 0.000 0.619 860 G N -1.388 107.422 108.800 0.016 0.000 2.708 860 G HA2 -0.100 3.868 3.960 0.013 0.000 0.210 860 G HA3 -0.100 3.868 3.960 0.013 0.000 0.210 860 G C 1.055 176.020 174.900 0.109 0.000 1.141 860 G CA 0.925 46.058 45.100 0.055 0.000 0.788 860 G HN 0.524 nan 8.290 nan 0.000 0.531 861 S N -1.390 114.366 115.700 0.092 0.000 2.556 861 S HA 0.388 4.865 4.470 0.013 0.000 0.216 861 S C 1.801 176.493 174.600 0.153 0.000 0.970 861 S CA 0.911 59.191 58.200 0.133 0.000 0.912 861 S CB 0.185 63.445 63.200 0.100 0.000 0.790 861 S HN 1.349 nan 8.310 nan 0.000 0.504 862 G N 0.667 109.566 108.800 0.165 0.000 2.176 862 G HA2 -0.243 3.725 3.960 0.013 0.000 0.253 862 G HA3 -0.243 3.725 3.960 0.013 0.000 0.253 862 G C -0.172 174.903 174.900 0.292 0.000 0.979 862 G CA 0.091 45.367 45.100 0.295 0.000 0.641 862 G HN 0.601 nan 8.290 nan 0.000 0.530 863 Q N -0.318 119.582 119.800 0.166 0.000 2.261 863 Q HA 0.604 4.952 4.340 0.013 0.000 0.252 863 Q C 0.272 176.338 176.000 0.110 0.000 0.915 863 Q CA -0.169 55.733 55.803 0.164 0.000 0.915 863 Q CB 1.317 30.134 28.738 0.132 0.000 1.204 863 Q HN 0.443 nan 8.270 nan 0.000 0.421 864 M N 2.452 122.164 119.600 0.186 0.000 2.036 864 M HA 0.449 4.937 4.480 0.013 0.000 0.337 864 M C -1.266 175.161 176.300 0.211 0.000 1.012 864 M CA -0.484 54.910 55.300 0.157 0.000 0.962 864 M CB 0.736 33.469 32.600 0.221 0.000 1.423 864 M HN 0.662 nan 8.290 nan 0.000 0.405 865 A N 6.822 129.722 122.820 0.133 0.000 2.302 865 A HA 0.601 4.928 4.320 0.013 0.000 0.295 865 A C -0.561 177.067 177.584 0.074 0.000 1.235 865 A CA -0.489 51.619 52.037 0.118 0.000 0.876 865 A CB -0.025 19.023 19.000 0.080 0.000 1.133 865 A HN 0.916 nan 8.150 nan 0.000 0.533 866 I N 2.305 122.905 120.570 0.049 0.000 2.377 866 I HA 0.324 4.502 4.170 0.013 0.000 0.293 866 I C -0.017 175.994 176.117 -0.177 0.000 0.987 866 I CA -0.212 61.002 61.300 -0.144 0.000 1.185 866 I CB 2.063 40.001 38.000 -0.104 0.000 1.341 866 I HN 0.489 nan 8.210 nan 0.000 0.455 867 T N 5.665 120.072 114.554 -0.245 0.000 2.792 867 T HA 0.560 4.918 4.350 0.013 0.000 0.280 867 T C -0.374 174.129 174.700 -0.328 0.000 0.990 867 T CA -0.445 61.521 62.100 -0.223 0.000 0.960 867 T CB 1.784 70.615 68.868 -0.062 0.000 0.939 867 T HN 0.219 nan 8.240 nan 0.000 0.439 868 V N 3.505 123.093 119.914 -0.543 0.000 2.656 868 V HA 0.512 4.639 4.120 0.013 0.000 0.307 868 V C -0.840 175.054 176.094 -0.334 0.000 1.051 868 V CA -0.934 61.081 62.300 -0.476 0.000 0.893 868 V CB 2.225 33.502 31.823 -0.911 0.000 0.999 868 V HN 0.863 nan 8.190 nan 0.000 0.426 869 D N 3.147 123.532 120.400 -0.024 0.000 2.505 869 D HA 0.481 5.129 4.640 0.013 0.000 0.250 869 D C -1.059 175.360 176.300 0.198 0.000 1.164 869 D CA -0.125 53.959 54.000 0.139 0.000 0.870 869 D CB 2.764 43.676 40.800 0.188 0.000 1.160 869 D HN 0.232 nan 8.370 nan 0.000 0.549 870 V N 1.928 121.998 119.914 0.260 0.000 2.581 870 V HA 0.299 4.427 4.120 0.013 0.000 0.303 870 V C 0.087 176.322 176.094 0.236 0.000 1.041 870 V CA -0.614 61.857 62.300 0.285 0.000 0.907 870 V CB 2.446 34.486 31.823 0.362 0.000 0.994 870 V HN 0.437 nan 8.190 nan 0.000 0.442 871 E N 2.535 122.860 120.200 0.209 0.000 2.176 871 E HA 0.626 4.984 4.350 0.013 0.000 0.267 871 E C -1.767 174.941 176.600 0.179 0.000 0.893 871 E CA -0.431 56.069 56.400 0.166 0.000 0.761 871 E CB 1.994 31.779 29.700 0.142 0.000 1.133 871 E HN 0.480 nan 8.360 nan 0.000 0.409 872 V N 2.959 122.984 119.914 0.185 0.000 2.487 872 V HA 0.450 4.578 4.120 0.013 0.000 0.298 872 V C 0.176 176.365 176.094 0.158 0.000 1.028 872 V CA -1.044 61.389 62.300 0.222 0.000 0.860 872 V CB 1.346 33.344 31.823 0.293 0.000 0.991 872 V HN 0.870 nan 8.190 nan 0.000 0.427 873 A N 3.486 126.364 122.820 0.097 0.000 2.566 873 A HA 0.229 4.557 4.320 0.013 0.000 0.245 873 A C 1.703 179.366 177.584 0.132 0.000 1.056 873 A CA 0.690 52.773 52.037 0.077 0.000 0.757 873 A CB 0.153 19.167 19.000 0.024 0.000 0.979 873 A HN 1.413 nan 8.150 nan 0.000 0.508 874 S N 1.637 117.408 115.700 0.119 0.000 2.383 874 S HA -0.194 4.284 4.470 0.013 0.000 0.229 874 S C 1.057 175.749 174.600 0.152 0.000 1.030 874 S CA 1.498 59.786 58.200 0.147 0.000 1.002 874 S CB -0.394 62.870 63.200 0.106 0.000 0.829 874 S HN 0.827 nan 8.310 nan 0.000 0.467 875 D N 0.514 120.977 120.400 0.105 0.000 2.349 875 D HA 0.098 4.745 4.640 0.013 0.000 0.224 875 D C 0.699 177.052 176.300 0.088 0.000 1.029 875 D CA 0.269 54.317 54.000 0.080 0.000 0.879 875 D CB -0.726 40.105 40.800 0.052 0.000 0.906 875 D HN 0.365 nan 8.370 nan 0.000 0.528 876 T N 1.153 115.789 114.554 0.136 0.000 2.909 876 T HA 0.358 4.716 4.350 0.013 0.000 0.286 876 T C -2.594 172.258 174.700 0.252 0.000 1.002 876 T CA -1.980 60.235 62.100 0.191 0.000 1.074 876 T CB 1.018 70.016 68.868 0.217 0.000 0.984 876 T HN -0.200 nan 8.240 nan 0.000 0.495 877 P HA 0.029 nan 4.420 nan 0.000 0.261 877 P C -0.500 177.161 177.300 0.602 0.000 1.173 877 P CA 0.306 63.556 63.100 0.250 0.000 0.760 877 P CB -0.091 31.756 31.700 0.246 0.000 0.783 878 H N 4.300 123.775 119.070 0.676 0.000 3.094 878 H HA 0.020 4.584 4.556 0.013 0.000 0.320 878 H C -1.580 174.090 175.328 0.571 0.000 1.000 878 H CA -1.187 55.166 56.048 0.508 0.000 1.413 878 H CB -0.329 29.651 29.762 0.363 0.000 1.405 878 H HN 0.388 nan 8.280 nan 0.000 0.586 879 P HA 0.020 nan 4.420 nan 0.000 0.277 879 P C 0.150 177.358 177.300 -0.154 0.000 1.240 879 P CA -0.289 62.898 63.100 0.145 0.000 0.798 879 P CB 1.168 32.782 31.700 -0.144 0.000 0.979 880 A N 3.426 125.881 122.820 -0.608 0.000 1.933 880 A HA -0.132 4.196 4.320 0.013 0.000 0.218 880 A C 1.089 178.285 177.584 -0.648 0.000 1.175 880 A CA 1.431 53.064 52.037 -0.674 0.000 0.628 880 A CB -0.557 17.824 19.000 -1.032 0.000 0.814 880 A HN 0.758 nan 8.150 nan 0.000 0.444 881 R N -3.085 117.067 120.500 -0.580 0.000 2.733 881 R HA 0.751 5.099 4.340 0.013 0.000 0.272 881 R C -1.597 174.438 176.300 -0.443 0.000 1.029 881 R CA -0.845 54.937 56.100 -0.531 0.000 0.888 881 R CB 0.923 30.895 30.300 -0.547 0.000 1.251 881 R HN -0.006 nan 8.270 nan 0.000 0.464 882 I N 1.078 121.420 120.570 -0.381 0.000 2.583 882 I HA 0.579 4.757 4.170 0.013 0.000 0.276 882 I C -0.523 175.341 176.117 -0.421 0.000 1.089 882 I CA -0.290 60.805 61.300 -0.343 0.000 1.103 882 I CB 1.699 39.584 38.000 -0.191 0.000 1.209 882 I HN 0.963 nan 8.210 nan 0.000 0.484 883 G N 5.495 113.980 108.800 -0.525 0.000 2.650 883 G HA2 0.739 4.707 3.960 0.013 0.000 0.310 883 G HA3 0.739 4.707 3.960 0.013 0.000 0.310 883 G C -1.606 173.112 174.900 -0.303 0.000 1.270 883 G CA -0.594 44.257 45.100 -0.416 0.000 0.810 883 G HN 0.222 nan 8.290 nan 0.000 0.493 884 L N 0.799 121.899 121.223 -0.205 0.000 2.323 884 L HA 0.687 5.035 4.340 0.013 0.000 0.265 884 L C -0.539 176.225 176.870 -0.177 0.000 1.012 884 L CA -1.120 53.631 54.840 -0.149 0.000 0.820 884 L CB 2.304 44.358 42.059 -0.009 0.000 1.334 884 L HN 0.759 nan 8.230 nan 0.000 0.427 885 N N 0.681 119.306 118.700 -0.125 0.000 2.494 885 N HA 0.717 5.465 4.740 0.013 0.000 0.270 885 N C -1.338 174.172 175.510 -0.001 0.000 1.285 885 N CA -0.461 52.550 53.050 -0.064 0.000 0.812 885 N CB 2.504 40.965 38.487 -0.042 0.000 1.557 885 N HN 0.930 nan 8.380 nan 0.000 0.487 886 C N -0.812 118.504 119.300 0.026 0.000 3.253 886 C HA 0.532 5.000 4.460 0.013 0.000 0.342 886 C C -1.384 173.368 174.990 -0.397 0.000 1.306 886 C CA -0.846 58.120 59.018 -0.086 0.000 1.207 886 C CB 0.915 28.635 27.740 -0.034 0.000 1.479 886 C HN 0.859 nan 8.230 nan 0.000 0.469 887 Q N 1.455 120.804 119.800 -0.752 0.000 2.368 887 Q HA 0.651 4.998 4.340 0.013 0.000 0.263 887 Q C -1.009 174.692 176.000 -0.498 0.000 1.009 887 Q CA -0.466 54.681 55.803 -1.092 0.000 0.818 887 Q CB 0.890 28.620 28.738 -1.681 0.000 1.239 887 Q HN 0.769 nan 8.270 nan 0.000 0.464 888 L N 2.789 123.828 121.223 -0.306 0.000 2.397 888 L HA 0.255 4.602 4.340 0.013 0.000 0.271 888 L C 1.301 178.114 176.870 -0.096 0.000 1.148 888 L CA -0.231 54.556 54.840 -0.089 0.000 0.825 888 L CB 0.828 42.945 42.059 0.096 0.000 1.117 888 L HN 0.826 nan 8.230 nan 0.000 0.456 889 A N 2.379 125.162 122.820 -0.062 0.000 1.933 889 A HA -0.165 4.162 4.320 0.013 0.000 0.218 889 A C 1.219 178.792 177.584 -0.019 0.000 1.175 889 A CA 0.766 52.763 52.037 -0.066 0.000 0.628 889 A CB -0.354 18.602 19.000 -0.074 0.000 0.814 889 A HN 0.806 nan 8.150 nan 0.000 0.444 890 Q N 0.022 119.849 119.800 0.046 0.000 2.315 890 Q HA 0.323 4.671 4.340 0.013 0.000 0.289 890 Q C -1.085 174.945 176.000 0.049 0.000 1.044 890 Q CA 0.604 56.429 55.803 0.037 0.000 0.920 890 Q CB 0.545 29.351 28.738 0.113 0.000 1.214 890 Q HN 0.161 nan 8.270 nan 0.000 0.392 891 V N 4.121 124.014 119.914 -0.034 0.000 2.398 891 V HA 0.726 4.853 4.120 0.013 0.000 0.282 891 V C -0.525 175.503 176.094 -0.109 0.000 1.014 891 V CA -0.248 62.055 62.300 0.005 0.000 0.838 891 V CB 0.903 32.734 31.823 0.015 0.000 1.018 891 V HN 0.908 nan 8.190 nan 0.000 0.432 892 A N 3.048 125.715 122.820 -0.255 0.000 2.299 892 A HA 0.789 5.117 4.320 0.013 0.000 0.332 892 A C 0.930 178.502 177.584 -0.019 0.000 1.131 892 A CA -0.200 51.664 52.037 -0.288 0.000 0.844 892 A CB 1.488 20.136 19.000 -0.588 0.000 1.251 892 A HN 0.856 nan 8.150 nan 0.000 0.486 893 E N 0.535 120.728 120.200 -0.012 0.000 2.076 893 E HA -0.048 4.309 4.350 0.013 0.000 0.190 893 E C 0.548 177.218 176.600 0.116 0.000 0.979 893 E CA 1.141 57.572 56.400 0.051 0.000 0.807 893 E CB 0.119 29.832 29.700 0.022 0.000 0.761 893 E HN 0.503 nan 8.360 nan 0.000 0.454 894 R N -0.268 120.307 120.500 0.126 0.000 2.856 894 R HA 0.597 4.945 4.340 0.013 0.000 0.258 894 R C -0.954 175.530 176.300 0.307 0.000 1.066 894 R CA -1.113 55.098 56.100 0.185 0.000 1.045 894 R CB 1.649 32.032 30.300 0.138 0.000 1.178 894 R HN -0.018 nan 8.270 nan 0.000 0.499 895 V N 1.830 121.932 119.914 0.313 0.000 2.525 895 V HA 0.336 4.464 4.120 0.013 0.000 0.299 895 V C -0.492 175.878 176.094 0.460 0.000 1.034 895 V CA -0.961 61.563 62.300 0.374 0.000 0.863 895 V CB 1.838 33.820 31.823 0.264 0.000 0.999 895 V HN 0.666 nan 8.190 nan 0.000 0.423 896 N N 4.620 123.564 118.700 0.407 0.000 2.354 896 N HA 0.536 5.284 4.740 0.013 0.000 0.287 896 N C -1.340 174.422 175.510 0.419 0.000 1.016 896 N CA -0.443 52.817 53.050 0.349 0.000 0.871 896 N CB 2.699 41.282 38.487 0.161 0.000 1.299 896 N HN 0.806 nan 8.380 nan 0.000 0.482 897 W N 3.398 124.729 121.300 0.051 0.000 3.107 897 W HA 0.599 5.266 4.660 0.013 0.000 0.331 897 W C -2.034 174.443 176.519 -0.071 0.000 1.204 897 W CA -1.139 56.213 57.345 0.012 0.000 1.184 897 W CB 0.737 30.233 29.460 0.060 0.000 1.421 897 W HN 0.225 nan 8.180 nan 0.000 0.544 898 L N 4.572 125.751 121.223 -0.073 0.000 2.301 898 L HA 0.905 5.253 4.340 0.013 0.000 0.278 898 L C -0.017 176.637 176.870 -0.360 0.000 1.022 898 L CA 0.271 54.881 54.840 -0.383 0.000 0.854 898 L CB 0.519 42.466 42.059 -0.186 0.000 1.226 898 L HN 0.983 nan 8.230 nan 0.000 0.429 899 G N 3.810 112.230 108.800 -0.632 0.000 2.393 899 G HA2 0.225 4.193 3.960 0.013 0.000 0.264 899 G HA3 0.225 4.193 3.960 0.013 0.000 0.264 899 G C -1.600 173.254 174.900 -0.078 0.000 1.221 899 G CA -0.981 43.966 45.100 -0.255 0.000 0.912 899 G HN 0.403 nan 8.290 nan 0.000 0.483 900 L N 1.180 122.557 121.223 0.258 0.000 2.331 900 L HA 0.631 4.979 4.340 0.013 0.000 0.278 900 L C 1.010 177.991 176.870 0.185 0.000 1.106 900 L CA 0.638 55.606 54.840 0.214 0.000 0.824 900 L CB 0.738 42.880 42.059 0.137 0.000 1.142 900 L HN 1.143 nan 8.230 nan 0.000 0.443 901 G N 2.927 111.604 108.800 -0.206 0.000 2.348 901 G HA2 0.255 4.223 3.960 0.013 0.000 0.296 901 G HA3 0.255 4.223 3.960 0.013 0.000 0.296 901 G C -2.773 171.290 174.900 -1.395 0.000 1.258 901 G CA -0.264 44.361 45.100 -0.793 0.000 0.868 901 G HN 0.308 nan 8.290 nan 0.000 0.488 902 P HA 0.120 nan 4.420 nan 0.000 0.245 902 P C 0.415 177.516 177.300 -0.332 0.000 1.203 902 P CA 0.449 62.881 63.100 -1.114 0.000 0.792 902 P CB 0.467 31.684 31.700 -0.804 0.000 0.997 903 Q N 0.720 120.307 119.800 -0.354 0.000 2.382 903 Q HA 0.120 4.468 4.340 0.013 0.000 0.229 903 Q C 0.424 176.314 176.000 -0.184 0.000 1.006 903 Q CA -0.483 55.199 55.803 -0.201 0.000 0.916 903 Q CB 0.651 29.294 28.738 -0.159 0.000 1.235 903 Q HN 0.162 nan 8.270 nan 0.000 0.512 904 E N 1.504 121.602 120.200 -0.169 0.000 2.568 904 E HA -0.146 4.212 4.350 0.013 0.000 0.262 904 E C -1.143 175.375 176.600 -0.137 0.000 0.961 904 E CA 0.355 56.643 56.400 -0.187 0.000 0.945 904 E CB 0.234 29.889 29.700 -0.074 0.000 0.924 904 E HN 0.609 nan 8.360 nan 0.000 0.467 905 N N 2.693 121.232 118.700 -0.267 0.000 2.367 905 N HA 0.331 5.079 4.740 0.013 0.000 0.278 905 N C -1.864 173.408 175.510 -0.398 0.000 1.117 905 N CA -0.702 52.242 53.050 -0.178 0.000 0.867 905 N CB 0.731 39.146 38.487 -0.120 0.000 1.649 905 N HN 0.246 nan 8.380 nan 0.000 0.479 906 Y N 0.005 120.216 120.300 -0.148 0.000 2.598 906 Y HA 0.517 5.075 4.550 0.013 0.000 0.340 906 Y C -1.609 174.228 175.900 -0.105 0.000 1.038 906 Y CA -2.091 55.910 58.100 -0.166 0.000 1.100 906 Y CB 1.638 39.992 38.460 -0.177 0.000 1.281 906 Y HN 0.433 nan 8.280 nan 0.000 0.488 907 P HA -0.191 nan 4.420 nan 0.000 0.216 907 P C 0.348 177.577 177.300 -0.117 0.000 1.154 907 P CA 2.132 65.301 63.100 0.114 0.000 0.865 907 P CB 0.186 32.067 31.700 0.301 0.000 0.789 908 D N -2.296 117.794 120.400 -0.515 0.000 2.342 908 D HA 0.019 4.667 4.640 0.013 0.000 0.221 908 D C 0.773 176.909 176.300 -0.275 0.000 1.101 908 D CA -0.022 53.417 54.000 -0.934 0.000 0.837 908 D CB -0.241 39.757 40.800 -1.336 0.000 0.938 908 D HN 0.142 nan 8.370 nan 0.000 0.508 909 R N 1.054 121.507 120.500 -0.078 0.000 2.593 909 R HA 0.194 4.542 4.340 0.013 0.000 0.258 909 R C -0.577 175.759 176.300 0.060 0.000 1.410 909 R CA -0.121 55.995 56.100 0.027 0.000 1.537 909 R CB 0.067 30.387 30.300 0.032 0.000 1.362 909 R HN 0.093 nan 8.270 nan 0.000 0.734 910 L N -2.358 118.909 121.223 0.073 0.000 3.386 910 L HA 0.326 4.674 4.340 0.013 0.000 0.307 910 L C 1.350 178.283 176.870 0.105 0.000 1.235 910 L CA 0.002 54.883 54.840 0.068 0.000 1.056 910 L CB 0.128 42.219 42.059 0.053 0.000 1.453 910 L HN 0.029 nan 8.230 nan 0.000 0.615 911 T N -2.504 112.140 114.554 0.151 0.000 2.833 911 T HA -0.035 4.322 4.350 0.013 0.000 0.269 911 T C 1.783 176.547 174.700 0.106 0.000 1.054 911 T CA 1.400 63.619 62.100 0.199 0.000 1.135 911 T CB -0.314 68.729 68.868 0.291 0.000 0.869 911 T HN 0.394 nan 8.240 nan 0.000 0.466 912 A N 1.666 124.547 122.820 0.101 0.000 2.016 912 A HA 0.647 4.974 4.320 0.013 0.000 0.217 912 A C 1.660 179.315 177.584 0.118 0.000 1.162 912 A CA 0.514 52.553 52.037 0.003 0.000 0.662 912 A CB -0.942 18.206 19.000 0.247 0.000 0.812 912 A HN 0.839 nan 8.150 nan 0.000 0.450 913 A N -1.055 121.787 122.820 0.037 0.000 2.445 913 A HA 0.423 4.751 4.320 0.013 0.000 0.242 913 A C 0.005 177.597 177.584 0.012 0.000 1.075 913 A CA 0.021 52.033 52.037 -0.042 0.000 0.777 913 A CB -0.173 18.795 19.000 -0.053 0.000 1.013 913 A HN 0.481 nan 8.150 nan 0.000 0.493 914 C N 1.016 120.311 119.300 -0.008 0.000 2.456 914 C HA 0.523 4.991 4.460 0.013 0.000 0.325 914 C C -0.120 174.994 174.990 0.206 0.000 1.217 914 C CA -0.471 58.619 59.018 0.120 0.000 1.687 914 C CB 0.653 28.491 27.740 0.162 0.000 2.270 914 C HN 0.785 nan 8.230 nan 0.000 0.499 915 F N 4.316 124.159 119.950 -0.177 0.000 2.471 915 F HA 0.445 4.979 4.527 0.013 0.000 0.365 915 F C 0.462 175.957 175.800 -0.508 0.000 1.095 915 F CA 1.208 58.953 58.000 -0.424 0.000 1.174 915 F CB -0.068 38.186 39.000 -1.243 0.000 1.105 915 F HN 0.657 nan 8.300 nan 0.000 0.535 916 D N 3.241 123.004 120.400 -1.063 0.000 3.010 916 D HA 0.143 4.790 4.640 0.013 0.000 0.353 916 D C -1.664 173.755 176.300 -1.467 0.000 1.415 916 D CA -0.732 52.564 54.000 -1.175 0.000 0.864 916 D CB 1.369 41.454 40.800 -1.192 0.000 1.445 916 D HN 0.442 nan 8.370 nan 0.000 0.516 917 R N 0.705 120.409 120.500 -1.326 0.000 2.229 917 R HA 0.515 4.863 4.340 0.013 0.000 0.332 917 R C -1.457 174.055 176.300 -1.313 0.000 0.989 917 R CA -0.252 55.210 56.100 -1.063 0.000 0.842 917 R CB 0.273 30.206 30.300 -0.611 0.000 1.119 917 R HN 0.261 nan 8.270 nan 0.000 0.456 918 W N 2.395 123.132 121.300 -0.938 0.000 2.647 918 W HA 0.487 5.155 4.660 0.013 0.000 0.353 918 W C -0.437 175.687 176.519 -0.657 0.000 1.080 918 W CA -0.587 56.146 57.345 -1.021 0.000 1.208 918 W CB 1.454 29.888 29.460 -1.710 0.000 1.396 918 W HN 0.376 nan 8.180 nan 0.000 0.573 919 D N 1.968 122.322 120.400 -0.076 0.000 2.452 919 D HA 0.366 5.013 4.640 0.013 0.000 0.226 919 D C -1.530 174.880 176.300 0.183 0.000 1.366 919 D CA -0.118 53.945 54.000 0.106 0.000 0.986 919 D CB 0.767 41.582 40.800 0.026 0.000 1.420 919 D HN 0.393 nan 8.370 nan 0.000 0.583 920 L N 2.606 124.010 121.223 0.301 0.000 2.303 920 L HA 0.618 4.966 4.340 0.013 0.000 0.256 920 L C -2.338 174.651 176.870 0.198 0.000 1.034 920 L CA -2.182 52.797 54.840 0.231 0.000 0.832 920 L CB 2.552 44.782 42.059 0.285 0.000 1.403 920 L HN 0.144 nan 8.230 nan 0.000 0.419 921 P HA 0.064 nan 4.420 nan 0.000 0.275 921 P C 0.551 177.926 177.300 0.126 0.000 1.228 921 P CA -0.379 62.792 63.100 0.118 0.000 0.786 921 P CB 1.083 32.832 31.700 0.083 0.000 0.927 922 L N 3.652 124.953 121.223 0.131 0.000 2.021 922 L HA -0.293 4.055 4.340 0.013 0.000 0.215 922 L C 2.292 179.212 176.870 0.084 0.000 1.074 922 L CA 2.948 57.857 54.840 0.116 0.000 0.760 922 L CB -1.562 40.584 42.059 0.144 0.000 0.889 922 L HN 0.460 nan 8.230 nan 0.000 0.433 923 S N -1.716 114.035 115.700 0.085 0.000 2.419 923 S HA -0.211 4.267 4.470 0.013 0.000 0.235 923 S C 1.630 176.305 174.600 0.125 0.000 1.019 923 S CA 1.247 59.518 58.200 0.118 0.000 0.982 923 S CB -0.897 62.362 63.200 0.099 0.000 0.789 923 S HN 0.555 nan 8.310 nan 0.000 0.490 924 D N 0.909 121.353 120.400 0.073 0.000 2.350 924 D HA 0.085 4.732 4.640 0.013 0.000 0.216 924 D C 1.148 177.447 176.300 -0.002 0.000 0.968 924 D CA 0.652 54.672 54.000 0.032 0.000 0.894 924 D CB -0.155 40.676 40.800 0.053 0.000 0.909 924 D HN 0.340 nan 8.370 nan 0.000 0.520 925 M N -0.580 119.031 119.600 0.018 0.000 2.494 925 M HA 0.076 4.564 4.480 0.013 0.000 0.232 925 M C -0.277 176.021 176.300 -0.004 0.000 1.137 925 M CA -0.141 55.123 55.300 -0.060 0.000 1.012 925 M CB -0.703 31.853 32.600 -0.073 0.000 1.567 925 M HN -0.071 nan 8.290 nan 0.000 0.486 926 Y N 0.012 120.265 120.300 -0.079 0.000 2.350 926 Y HA 0.503 5.061 4.550 0.013 0.000 0.338 926 Y C -0.743 175.099 175.900 -0.096 0.000 0.961 926 Y CA -1.141 56.931 58.100 -0.046 0.000 1.100 926 Y CB 1.200 39.694 38.460 0.056 0.000 1.179 926 Y HN -0.106 nan 8.280 nan 0.000 0.454 927 T N 9.151 123.254 114.554 -0.752 0.000 2.743 927 T HA 0.282 4.640 4.350 0.013 0.000 0.292 927 T C -2.659 171.301 174.700 -1.234 0.000 0.972 927 T CA -1.535 60.037 62.100 -0.880 0.000 0.967 927 T CB 1.086 69.510 68.868 -0.739 0.000 0.926 927 T HN 0.451 nan 8.240 nan 0.000 0.459 928 P HA 0.119 nan 4.420 nan 0.000 0.225 928 P C -0.609 176.546 177.300 -0.241 0.000 1.768 928 P CA -0.466 62.202 63.100 -0.720 0.000 0.943 928 P CB -0.805 30.589 31.700 -0.510 0.000 1.936 929 Y N -0.326 119.911 120.300 -0.104 0.000 2.717 929 Y HA -0.110 4.448 4.550 0.013 0.000 0.330 929 Y C 2.263 178.200 175.900 0.061 0.000 1.217 929 Y CA -0.368 57.705 58.100 -0.045 0.000 1.506 929 Y CB 0.378 38.756 38.460 -0.137 0.000 1.268 929 Y HN -0.079 nan 8.280 nan 0.000 0.561 930 V N 3.723 123.830 119.914 0.320 0.000 2.392 930 V HA -0.303 3.824 4.120 0.013 0.000 0.249 930 V C 0.503 176.775 176.094 0.297 0.000 1.059 930 V CA 1.428 63.915 62.300 0.312 0.000 1.051 930 V CB -0.577 31.466 31.823 0.367 0.000 0.658 930 V HN 0.584 nan 8.190 nan 0.000 0.455 931 F N 3.136 123.134 119.950 0.080 0.000 2.334 931 F HA 0.548 5.083 4.527 0.013 0.000 0.367 931 F C -2.478 173.324 175.800 0.004 0.000 1.115 931 F CA -3.717 54.281 58.000 -0.004 0.000 1.116 931 F CB 0.754 39.647 39.000 -0.179 0.000 1.230 931 F HN -0.023 nan 8.300 nan 0.000 0.484 932 P HA 0.226 nan 4.420 nan 0.000 0.269 932 P C -0.927 176.074 177.300 -0.498 0.000 1.209 932 P CA 0.116 62.962 63.100 -0.425 0.000 0.776 932 P CB 1.153 32.625 31.700 -0.380 0.000 0.876 933 S N -0.094 115.504 115.700 -0.170 0.000 2.703 933 S HA 0.423 4.901 4.470 0.013 0.000 0.273 933 S C -0.915 173.678 174.600 -0.013 0.000 1.178 933 S CA -0.926 57.211 58.200 -0.106 0.000 0.838 933 S CB 0.458 63.619 63.200 -0.066 0.000 1.178 933 S HN 0.361 nan 8.310 nan 0.000 0.494 934 E N 1.055 121.261 120.200 0.010 0.000 2.481 934 E HA 0.380 4.738 4.350 0.013 0.000 0.263 934 E C -0.151 176.512 176.600 0.104 0.000 0.992 934 E CA 0.795 57.231 56.400 0.059 0.000 0.938 934 E CB -0.098 29.664 29.700 0.104 0.000 0.933 934 E HN 0.814 nan 8.360 nan 0.000 0.453 935 N N 1.214 120.010 118.700 0.160 0.000 3.046 935 N HA 0.437 5.185 4.740 0.013 0.000 0.243 935 N C 0.073 175.642 175.510 0.098 0.000 1.452 935 N CA -0.579 52.602 53.050 0.218 0.000 0.882 935 N CB 0.783 39.397 38.487 0.211 0.000 1.425 935 N HN 0.756 nan 8.380 nan 0.000 0.517 936 G N -1.128 107.691 108.800 0.032 0.000 2.166 936 G HA2 -0.276 3.692 3.960 0.013 0.000 0.260 936 G HA3 -0.276 3.692 3.960 0.013 0.000 0.260 936 G C -0.179 174.469 174.900 -0.421 0.000 0.986 936 G CA 0.516 45.514 45.100 -0.169 0.000 0.683 936 G HN 0.718 nan 8.290 nan 0.000 0.527 937 L N -0.304 120.604 121.223 -0.524 0.000 2.499 937 L HA 0.629 4.977 4.340 0.013 0.000 0.281 937 L C 0.742 177.032 176.870 -0.966 0.000 1.234 937 L CA 0.556 54.847 54.840 -0.915 0.000 0.839 937 L CB 0.510 41.698 42.059 -1.451 0.000 1.104 937 L HN 0.290 nan 8.230 nan 0.000 0.500 938 R N 2.381 122.219 120.500 -1.104 0.000 2.532 938 R HA 0.502 4.850 4.340 0.013 0.000 0.297 938 R C -1.003 174.961 176.300 -0.560 0.000 0.984 938 R CA -0.343 55.258 56.100 -0.832 0.000 0.884 938 R CB 1.437 31.142 30.300 -0.992 0.000 1.182 938 R HN 0.697 nan 8.270 nan 0.000 0.442 939 C N 0.296 119.418 119.300 -0.295 0.000 2.484 939 C HA 0.716 5.184 4.460 0.013 0.000 0.409 939 C C 1.330 176.315 174.990 -0.008 0.000 1.434 939 C CA 0.030 58.954 59.018 -0.157 0.000 1.913 939 C CB 1.279 28.946 27.740 -0.122 0.000 2.028 939 C HN 1.039 nan 8.230 nan 0.000 0.516 940 G N 1.580 110.385 108.800 0.008 0.000 2.341 940 G HA2 -0.186 3.782 3.960 0.013 0.000 0.292 940 G HA3 -0.186 3.782 3.960 0.013 0.000 0.292 940 G C -0.063 174.927 174.900 0.150 0.000 1.021 940 G CA 0.629 45.792 45.100 0.104 0.000 0.905 940 G HN 0.797 nan 8.290 nan 0.000 0.508 941 T N -0.056 114.444 114.554 -0.089 0.000 2.767 941 T HA 0.544 4.902 4.350 0.013 0.000 0.288 941 T C 1.217 175.618 174.700 -0.498 0.000 0.963 941 T CA -0.682 61.303 62.100 -0.191 0.000 1.019 941 T CB 1.506 70.288 68.868 -0.144 0.000 0.923 941 T HN 0.176 nan 8.240 nan 0.000 0.468 942 R N 1.471 121.908 120.500 -0.105 0.000 2.282 942 R HA 0.298 4.646 4.340 0.013 0.000 0.195 942 R C 0.516 176.863 176.300 0.079 0.000 0.909 942 R CA 0.168 56.270 56.100 0.004 0.000 1.039 942 R CB 0.295 30.722 30.300 0.211 0.000 1.015 942 R HN 0.750 nan 8.270 nan 0.000 0.513 943 E N 0.370 120.620 120.200 0.084 0.000 2.354 943 E HA 0.335 4.692 4.350 0.013 0.000 0.283 943 E C -1.870 174.875 176.600 0.242 0.000 0.938 943 E CA -0.681 55.849 56.400 0.216 0.000 0.777 943 E CB 1.451 31.241 29.700 0.149 0.000 1.222 943 E HN -0.057 nan 8.360 nan 0.000 0.423 944 L N 3.493 124.908 121.223 0.319 0.000 2.431 944 L HA 0.640 4.988 4.340 0.013 0.000 0.266 944 L C -2.010 175.046 176.870 0.310 0.000 0.978 944 L CA -0.354 54.616 54.840 0.216 0.000 0.822 944 L CB 2.049 44.062 42.059 -0.077 0.000 1.310 944 L HN 0.494 nan 8.230 nan 0.000 0.409 945 N N 3.971 122.831 118.700 0.267 0.000 2.296 945 N HA 0.454 5.202 4.740 0.013 0.000 0.294 945 N C -2.048 173.684 175.510 0.370 0.000 1.033 945 N CA -0.264 52.937 53.050 0.251 0.000 0.839 945 N CB 2.287 40.867 38.487 0.155 0.000 1.395 945 N HN 0.666 nan 8.380 nan 0.000 0.479 946 Y N 1.046 121.472 120.300 0.209 0.000 2.323 946 Y HA 0.399 4.957 4.550 0.013 0.000 0.322 946 Y C 0.516 176.505 175.900 0.150 0.000 1.133 946 Y CA 0.177 58.402 58.100 0.209 0.000 1.093 946 Y CB 0.546 39.203 38.460 0.328 0.000 1.203 946 Y HN 0.866 nan 8.280 nan 0.000 0.427 947 G N 6.454 115.081 108.800 -0.289 0.000 2.550 947 G HA2 -0.289 3.679 3.960 0.013 0.000 0.277 947 G HA3 -0.289 3.679 3.960 0.013 0.000 0.277 947 G C -1.806 172.959 174.900 -0.226 0.000 1.190 947 G CA 0.069 44.974 45.100 -0.324 0.000 0.971 947 G HN 0.555 nan 8.290 nan 0.000 0.559 948 P HA 0.147 nan 4.420 nan 0.000 0.240 948 P C 0.358 177.451 177.300 -0.346 0.000 1.190 948 P CA 0.657 63.549 63.100 -0.348 0.000 0.781 948 P CB -0.011 31.419 31.700 -0.450 0.000 0.931 949 H N 0.739 119.737 119.070 -0.120 0.000 2.652 949 H HA 0.330 4.894 4.556 0.013 0.000 0.349 949 H C 0.186 175.180 175.328 -0.557 0.000 1.099 949 H CA 0.462 56.282 56.048 -0.379 0.000 1.417 949 H CB 0.921 30.326 29.762 -0.595 0.000 1.457 949 H HN 0.135 nan 8.280 nan 0.000 0.568 950 Q N 3.177 122.648 119.800 -0.548 0.000 2.304 950 Q HA 0.219 4.567 4.340 0.013 0.000 0.270 950 Q C -1.421 174.254 176.000 -0.542 0.000 1.035 950 Q CA -0.671 54.918 55.803 -0.357 0.000 0.781 950 Q CB 1.768 30.460 28.738 -0.077 0.000 1.261 950 Q HN 0.581 nan 8.270 nan 0.000 0.444 951 W N 3.868 125.101 121.300 -0.111 0.000 2.587 951 W HA 0.561 5.229 4.660 0.013 0.000 0.324 951 W C -0.106 176.464 176.519 0.085 0.000 1.040 951 W CA -0.667 56.577 57.345 -0.168 0.000 1.222 951 W CB 1.884 31.039 29.460 -0.508 0.000 1.381 951 W HN 0.509 nan 8.180 nan 0.000 0.483 952 R N 0.551 121.252 120.500 0.336 0.000 2.807 952 R HA 0.793 5.141 4.340 0.013 0.000 0.276 952 R C 0.235 176.804 176.300 0.448 0.000 0.979 952 R CA -0.390 55.941 56.100 0.386 0.000 0.928 952 R CB 2.397 32.843 30.300 0.243 0.000 1.191 952 R HN 0.738 nan 8.270 nan 0.000 0.471 953 G N 0.538 109.611 108.800 0.455 0.000 2.591 953 G HA2 -0.009 3.959 3.960 0.013 0.000 0.104 953 G HA3 -0.009 3.959 3.960 0.013 0.000 0.104 953 G C -1.704 173.333 174.900 0.228 0.000 1.097 953 G CA -0.298 45.032 45.100 0.383 0.000 1.076 953 G HN 0.501 nan 8.290 nan 0.000 0.485 954 D N 0.143 120.670 120.400 0.212 0.000 2.586 954 D HA 0.556 5.204 4.640 0.013 0.000 0.254 954 D C -0.598 175.693 176.300 -0.014 0.000 1.248 954 D CA -0.500 53.511 54.000 0.018 0.000 0.843 954 D CB -0.006 40.843 40.800 0.081 0.000 1.332 954 D HN 0.493 nan 8.370 nan 0.000 0.523 955 F N -0.491 119.464 119.950 0.007 0.000 2.764 955 F HA 0.759 5.294 4.527 0.013 0.000 0.347 955 F C -0.852 174.917 175.800 -0.051 0.000 1.151 955 F CA -0.980 56.961 58.000 -0.099 0.000 1.021 955 F CB 0.718 39.648 39.000 -0.117 0.000 1.438 955 F HN -0.182 nan 8.300 nan 0.000 0.516 956 Q N 1.448 121.345 119.800 0.163 0.000 2.377 956 Q HA 0.637 4.985 4.340 0.013 0.000 0.271 956 Q C -1.387 174.712 176.000 0.164 0.000 1.077 956 Q CA -0.524 55.285 55.803 0.008 0.000 0.820 956 Q CB 2.776 31.405 28.738 -0.181 0.000 1.347 956 Q HN 0.898 nan 8.270 nan 0.000 0.444 957 F N -0.894 118.964 119.950 -0.154 0.000 2.693 957 F HA 0.723 5.258 4.527 0.013 0.000 0.309 957 F C -1.839 173.757 175.800 -0.339 0.000 1.129 957 F CA -1.006 56.859 58.000 -0.224 0.000 0.948 957 F CB 1.522 40.427 39.000 -0.158 0.000 1.315 957 F HN 0.587 nan 8.300 nan 0.000 0.447 958 N N 2.094 120.607 118.700 -0.312 0.000 2.284 958 N HA 0.744 5.492 4.740 0.013 0.000 0.289 958 N C -2.195 173.249 175.510 -0.110 0.000 1.179 958 N CA -0.725 52.112 53.050 -0.355 0.000 0.774 958 N CB 2.633 40.939 38.487 -0.302 0.000 1.548 958 N HN 1.119 nan 8.380 nan 0.000 0.473 959 I N 0.488 120.986 120.570 -0.120 0.000 2.644 959 I HA 0.721 4.898 4.170 0.013 0.000 0.291 959 I C -1.343 174.696 176.117 -0.130 0.000 1.180 959 I CA 0.036 61.243 61.300 -0.155 0.000 1.040 959 I CB 1.462 39.310 38.000 -0.254 0.000 1.255 959 I HN 1.077 nan 8.210 nan 0.000 0.422 960 S N 5.977 121.613 115.700 -0.106 0.000 2.656 960 S HA 0.459 4.937 4.470 0.013 0.000 0.265 960 S C -0.186 174.327 174.600 -0.146 0.000 1.132 960 S CA -0.955 57.178 58.200 -0.113 0.000 0.819 960 S CB 1.396 64.580 63.200 -0.027 0.000 1.119 960 S HN 0.603 nan 8.310 nan 0.000 0.476 961 R N -0.183 120.084 120.500 -0.389 0.000 2.319 961 R HA 0.250 4.598 4.340 0.013 0.000 0.204 961 R C -0.799 175.171 176.300 -0.551 0.000 0.954 961 R CA 0.422 56.234 56.100 -0.481 0.000 1.066 961 R CB -1.200 28.659 30.300 -0.735 0.000 0.991 961 R HN 0.651 nan 8.270 nan 0.000 0.486 962 Y N -0.202 120.047 120.300 -0.085 0.000 2.376 962 Y HA 0.231 4.788 4.550 0.013 0.000 0.340 962 Y C 0.712 176.388 175.900 -0.375 0.000 0.965 962 Y CA -1.177 56.788 58.100 -0.224 0.000 1.078 962 Y CB 1.360 39.623 38.460 -0.328 0.000 1.193 962 Y HN -0.120 nan 8.280 nan 0.000 0.452 963 S N 1.463 116.817 115.700 -0.578 0.000 2.593 963 S HA 0.048 4.526 4.470 0.013 0.000 0.269 963 S C 0.861 175.110 174.600 -0.585 0.000 1.334 963 S CA -0.716 56.766 58.200 -1.197 0.000 1.015 963 S CB 1.102 63.492 63.200 -1.350 0.000 0.912 963 S HN 0.736 nan 8.310 nan 0.000 0.541 964 Q N 0.657 120.137 119.800 -0.533 0.000 2.170 964 Q HA -0.186 4.162 4.340 0.013 0.000 0.203 964 Q C 2.231 178.086 176.000 -0.242 0.000 0.976 964 Q CA 1.816 57.453 55.803 -0.277 0.000 0.858 964 Q CB -0.517 28.100 28.738 -0.203 0.000 0.907 964 Q HN 0.985 nan 8.270 nan 0.000 0.433 965 Q N 0.542 120.158 119.800 -0.306 0.000 2.084 965 Q HA -0.203 4.145 4.340 0.013 0.000 0.202 965 Q C 2.074 177.964 176.000 -0.184 0.000 0.978 965 Q CA 1.382 57.067 55.803 -0.198 0.000 0.844 965 Q CB 0.040 28.666 28.738 -0.185 0.000 0.898 965 Q HN 0.379 nan 8.270 nan 0.000 0.426 966 Q N 0.004 119.664 119.800 -0.234 0.000 2.084 966 Q HA -0.159 4.189 4.340 0.013 0.000 0.202 966 Q C 2.198 178.070 176.000 -0.212 0.000 0.978 966 Q CA 1.407 57.090 55.803 -0.200 0.000 0.844 966 Q CB -0.049 28.546 28.738 -0.238 0.000 0.898 966 Q HN 0.482 nan 8.270 nan 0.000 0.426 967 L N 0.002 121.089 121.223 -0.226 0.000 2.012 967 L HA -0.237 4.111 4.340 0.013 0.000 0.210 967 L C 2.683 179.412 176.870 -0.235 0.000 1.073 967 L CA 1.353 56.051 54.840 -0.237 0.000 0.748 967 L CB -0.458 41.490 42.059 -0.185 0.000 0.891 967 L HN 0.368 nan 8.230 nan 0.000 0.431 968 M N -0.427 119.067 119.600 -0.176 0.000 2.279 968 M HA -0.186 4.302 4.480 0.013 0.000 0.264 968 M C 1.536 177.758 176.300 -0.130 0.000 1.062 968 M CA 1.647 56.861 55.300 -0.144 0.000 1.099 968 M CB 0.051 32.580 32.600 -0.120 0.000 1.394 968 M HN 0.233 nan 8.290 nan 0.000 0.426 969 E N -0.712 119.411 120.200 -0.128 0.000 2.479 969 E HA 0.054 4.412 4.350 0.013 0.000 0.193 969 E C -0.450 176.098 176.600 -0.086 0.000 1.049 969 E CA 0.080 56.429 56.400 -0.085 0.000 0.870 969 E CB 0.450 30.112 29.700 -0.063 0.000 0.944 969 E HN 0.308 nan 8.360 nan 0.000 0.492 970 T N 0.271 114.735 114.554 -0.150 0.000 2.809 970 T HA 0.092 4.449 4.350 0.013 0.000 0.284 970 T C 1.018 175.616 174.700 -0.170 0.000 0.992 970 T CA -0.563 61.451 62.100 -0.144 0.000 0.957 970 T CB 1.674 70.425 68.868 -0.195 0.000 0.942 970 T HN 0.010 nan 8.240 nan 0.000 0.439 971 S N 1.739 117.444 115.700 0.009 0.000 2.461 971 S HA 0.006 4.484 4.470 0.013 0.000 0.228 971 S C 0.341 175.010 174.600 0.115 0.000 1.005 971 S CA 0.507 58.809 58.200 0.169 0.000 0.942 971 S CB -0.339 63.113 63.200 0.420 0.000 0.776 971 S HN 0.749 nan 8.310 nan 0.000 0.514 972 H N 0.556 119.607 119.070 -0.033 0.000 2.600 972 H HA 0.509 5.073 4.556 0.013 0.000 0.357 972 H C 0.999 176.267 175.328 -0.100 0.000 1.106 972 H CA -0.799 55.262 56.048 0.022 0.000 1.193 972 H CB 1.510 31.237 29.762 -0.057 0.000 1.594 972 H HN 0.152 nan 8.280 nan 0.000 0.526 973 R N 2.030 122.612 120.500 0.137 0.000 2.152 973 R HA -0.145 4.203 4.340 0.013 0.000 0.232 973 R C 1.125 177.423 176.300 -0.003 0.000 1.117 973 R CA 1.671 57.788 56.100 0.029 0.000 0.981 973 R CB -0.368 29.991 30.300 0.100 0.000 0.870 973 R HN 0.764 nan 8.270 nan 0.000 0.451 974 H N 1.081 120.151 119.070 0.000 0.000 2.524 974 H HA 0.044 4.608 4.556 0.013 0.000 0.282 974 H C 1.463 176.719 175.328 -0.121 0.000 1.016 974 H CA 0.680 56.694 56.048 -0.055 0.000 1.270 974 H CB -0.087 29.639 29.762 -0.061 0.000 1.394 974 H HN 0.302 nan 8.280 nan 0.000 0.568 975 L N 1.008 121.823 121.223 -0.679 0.000 2.591 975 L HA 0.197 4.545 4.340 0.013 0.000 0.228 975 L C 0.660 177.394 176.870 -0.227 0.000 1.133 975 L CA -0.120 54.421 54.840 -0.499 0.000 0.880 975 L CB 0.023 41.744 42.059 -0.564 0.000 1.033 975 L HN 0.053 nan 8.230 nan 0.000 0.450 976 L N 0.746 121.827 121.223 -0.236 0.000 2.452 976 L HA 0.144 4.492 4.340 0.013 0.000 0.267 976 L C 0.277 177.130 176.870 -0.027 0.000 1.188 976 L CA -0.091 54.597 54.840 -0.253 0.000 0.821 976 L CB 0.328 42.011 42.059 -0.627 0.000 1.102 976 L HN 0.188 nan 8.230 nan 0.000 0.470 977 H N 1.176 120.295 119.070 0.082 0.000 2.679 977 H HA 0.617 5.181 4.556 0.013 0.000 0.360 977 H C -0.863 174.570 175.328 0.175 0.000 1.105 977 H CA -1.248 54.871 56.048 0.118 0.000 1.196 977 H CB 1.396 31.176 29.762 0.030 0.000 1.636 977 H HN 0.681 nan 8.280 nan 0.000 0.531 978 A N 3.415 126.296 122.820 0.102 0.000 2.520 978 A HA 0.107 4.435 4.320 0.013 0.000 0.245 978 A C 0.374 177.982 177.584 0.040 0.000 1.072 978 A CA -0.168 51.779 52.037 -0.149 0.000 0.761 978 A CB -0.060 18.827 19.000 -0.189 0.000 1.004 978 A HN 0.854 nan 8.150 nan 0.000 0.499 979 E N 0.882 121.083 120.200 0.001 0.000 2.359 979 E HA 0.195 4.553 4.350 0.013 0.000 0.255 979 E C 0.003 176.645 176.600 0.070 0.000 1.191 979 E CA -0.655 55.835 56.400 0.149 0.000 0.952 979 E CB 0.534 30.398 29.700 0.273 0.000 1.152 979 E HN 0.771 nan 8.360 nan 0.000 0.496 980 E N 0.187 120.424 120.200 0.062 0.000 2.392 980 E HA 0.179 4.537 4.350 0.013 0.000 0.264 980 E C 0.289 176.857 176.600 -0.054 0.000 1.024 980 E CA 0.559 56.959 56.400 -0.000 0.000 0.903 980 E CB 0.551 30.247 29.700 -0.006 0.000 0.963 980 E HN 0.671 nan 8.360 nan 0.000 0.432 981 G N 2.740 111.508 108.800 -0.054 0.000 2.682 981 G HA2 -0.249 3.719 3.960 0.013 0.000 0.256 981 G HA3 -0.249 3.719 3.960 0.013 0.000 0.256 981 G C -0.525 174.317 174.900 -0.097 0.000 1.333 981 G CA -0.092 44.963 45.100 -0.075 0.000 0.904 981 G HN 0.550 nan 8.290 nan 0.000 0.569 982 T N 0.231 114.717 114.554 -0.113 0.000 2.792 982 T HA 0.488 4.846 4.350 0.013 0.000 0.280 982 T C -0.560 173.964 174.700 -0.294 0.000 0.990 982 T CA -0.135 61.890 62.100 -0.125 0.000 0.960 982 T CB 1.303 70.193 68.868 0.037 0.000 0.939 982 T HN 0.537 nan 8.240 nan 0.000 0.439 983 W N 3.503 124.716 121.300 -0.145 0.000 2.358 983 W HA 0.533 5.200 4.660 0.013 0.000 0.307 983 W C -0.162 176.224 176.519 -0.221 0.000 1.203 983 W CA -0.760 56.490 57.345 -0.157 0.000 1.279 983 W CB 0.539 29.918 29.460 -0.136 0.000 1.264 983 W HN 0.411 nan 8.180 nan 0.000 0.474 984 L N 5.673 126.856 121.223 -0.066 0.000 2.313 984 L HA 0.510 4.858 4.340 0.013 0.000 0.283 984 L C -0.801 175.964 176.870 -0.175 0.000 1.013 984 L CA -0.309 54.384 54.840 -0.245 0.000 0.816 984 L CB 0.686 42.431 42.059 -0.523 0.000 1.236 984 L HN 0.293 nan 8.230 nan 0.000 0.419 985 N N 6.622 125.219 118.700 -0.172 0.000 2.443 985 N HA 0.470 5.218 4.740 0.013 0.000 0.269 985 N C -1.309 174.069 175.510 -0.220 0.000 0.985 985 N CA -0.209 52.744 53.050 -0.162 0.000 0.921 985 N CB 2.258 40.678 38.487 -0.112 0.000 1.195 985 N HN 0.606 nan 8.380 nan 0.000 0.492 986 I N 2.057 122.453 120.570 -0.291 0.000 2.439 986 I HA 0.202 4.380 4.170 0.013 0.000 0.285 986 I C -0.922 175.013 176.117 -0.303 0.000 1.021 986 I CA -0.650 60.445 61.300 -0.342 0.000 1.091 986 I CB 1.527 39.139 38.000 -0.648 0.000 1.242 986 I HN 0.200 nan 8.210 nan 0.000 0.439 987 D N 4.946 125.210 120.400 -0.228 0.000 2.168 987 D HA 0.275 4.923 4.640 0.013 0.000 0.246 987 D C 0.891 176.910 176.300 -0.468 0.000 1.050 987 D CA -0.230 53.572 54.000 -0.330 0.000 0.857 987 D CB 2.364 43.058 40.800 -0.176 0.000 1.169 987 D HN 0.693 nan 8.370 nan 0.000 0.453 988 G N 1.055 109.266 108.800 -0.982 0.000 2.408 988 G HA2 0.006 3.974 3.960 0.013 0.000 0.215 988 G HA3 0.006 3.974 3.960 0.013 0.000 0.215 988 G C 0.078 174.157 174.900 -1.369 0.000 1.156 988 G CA 0.478 44.793 45.100 -1.308 0.000 0.793 988 G HN 0.373 nan 8.290 nan 0.000 0.535 989 F N -1.993 117.741 119.950 -0.360 0.000 2.601 989 F HA 0.613 5.148 4.527 0.013 0.000 0.309 989 F C -0.544 175.149 175.800 -0.179 0.000 1.089 989 F CA -1.144 56.723 58.000 -0.221 0.000 0.940 989 F CB 2.195 40.980 39.000 -0.359 0.000 1.273 989 F HN 0.031 nan 8.300 nan 0.000 0.450 990 H N 1.676 120.740 119.070 -0.010 0.000 2.865 990 H HA 0.528 5.091 4.556 0.013 0.000 0.362 990 H C -0.863 174.484 175.328 0.030 0.000 1.114 990 H CA -0.852 55.171 56.048 -0.040 0.000 1.208 990 H CB 1.888 31.626 29.762 -0.040 0.000 1.727 990 H HN 0.768 nan 8.280 nan 0.000 0.534 991 M N 3.131 122.688 119.600 -0.072 0.000 2.245 991 M HA 0.287 4.775 4.480 0.013 0.000 0.330 991 M C 0.538 176.963 176.300 0.208 0.000 1.098 991 M CA 0.357 55.679 55.300 0.037 0.000 1.172 991 M CB 0.385 32.903 32.600 -0.136 0.000 1.467 991 M HN 0.825 nan 8.290 nan 0.000 0.454 992 G N 2.469 111.374 108.800 0.175 0.000 2.684 992 G HA2 0.305 4.273 3.960 0.013 0.000 0.255 992 G HA3 0.305 4.273 3.960 0.013 0.000 0.255 992 G C 0.610 175.511 174.900 0.002 0.000 1.219 992 G CA -0.383 44.770 45.100 0.089 0.000 0.901 992 G HN 0.965 nan 8.290 nan 0.000 0.548 993 I N -2.206 118.311 120.570 -0.089 0.000 3.462 993 I HA 0.409 4.587 4.170 0.013 0.000 0.290 993 I C 1.189 177.241 176.117 -0.108 0.000 1.236 993 I CA 0.568 61.773 61.300 -0.157 0.000 1.418 993 I CB -0.537 37.261 38.000 -0.336 0.000 1.102 993 I HN 0.939 nan 8.210 nan 0.000 0.441 994 G N 1.522 110.275 108.800 -0.079 0.000 2.598 994 G HA2 0.026 3.994 3.960 0.013 0.000 0.244 994 G HA3 0.026 3.994 3.960 0.013 0.000 0.244 994 G C 0.579 175.470 174.900 -0.015 0.000 1.302 994 G CA 0.145 45.233 45.100 -0.020 0.000 0.903 994 G HN 1.375 nan 8.290 nan 0.000 0.575 995 G N -2.385 106.421 108.800 0.010 0.000 2.425 995 G HA2 -0.006 3.962 3.960 0.013 0.000 0.177 995 G HA3 -0.006 3.962 3.960 0.013 0.000 0.177 995 G C 0.718 175.665 174.900 0.078 0.000 0.999 995 G CA 0.870 45.985 45.100 0.025 0.000 0.723 995 G HN 1.040 nan 8.290 nan 0.000 0.491 996 D N 1.309 121.782 120.400 0.122 0.000 2.191 996 D HA 0.030 4.678 4.640 0.013 0.000 0.195 996 D C 1.020 177.346 176.300 0.044 0.000 1.003 996 D CA 2.211 56.341 54.000 0.217 0.000 0.867 996 D CB 0.052 40.995 40.800 0.237 0.000 0.926 996 D HN 0.815 nan 8.370 nan 0.000 0.450 997 D N -3.361 116.859 120.400 -0.299 0.000 2.596 997 D HA 0.367 5.015 4.640 0.013 0.000 0.262 997 D C -0.759 175.050 176.300 -0.819 0.000 1.210 997 D CA -0.761 52.624 54.000 -1.025 0.000 0.873 997 D CB 1.077 40.656 40.800 -2.035 0.000 1.408 997 D HN -0.288 nan 8.370 nan 0.000 0.441 998 S N -0.440 114.674 115.700 -0.978 0.000 2.664 998 S HA 0.232 4.710 4.470 0.013 0.000 0.245 998 S C -0.541 174.108 174.600 0.080 0.000 1.019 998 S CA -0.681 57.405 58.200 -0.190 0.000 0.996 998 S CB -0.530 62.763 63.200 0.155 0.000 0.878 998 S HN 0.639 nan 8.310 nan 0.000 0.493 999 W N 1.133 122.384 121.300 -0.083 0.000 2.007 999 W HA 0.581 5.249 4.660 0.012 0.000 0.301 999 W C -0.091 176.388 176.519 -0.066 0.000 0.887 999 W CA -0.568 56.739 57.345 -0.065 0.000 1.625 999 W CB -0.502 28.880 29.460 -0.130 0.000 1.078 999 W HN 0.158 nan 8.180 nan 0.000 0.502 1000 S N -1.091 114.483 115.700 -0.211 0.000 2.565 1000 S HA 0.614 5.092 4.470 0.013 0.000 0.269 1000 S C -3.167 171.363 174.600 -0.117 0.000 1.153 1000 S CA -1.554 56.566 58.200 -0.134 0.000 0.835 1000 S CB 1.584 64.700 63.200 -0.140 0.000 1.122 1000 S HN -0.198 nan 8.310 nan 0.000 0.462 1001 P HA 0.199 nan 4.420 nan 0.000 0.263 1001 P C 0.364 177.700 177.300 0.061 0.000 1.195 1001 P CA 0.045 63.149 63.100 0.006 0.000 0.762 1001 P CB 0.670 32.264 31.700 -0.178 0.000 0.799 1002 S N 0.737 116.513 115.700 0.126 0.000 2.847 1002 S HA 0.139 4.617 4.470 0.013 0.000 0.254 1002 S C 0.176 174.857 174.600 0.134 0.000 1.039 1002 S CA -0.318 57.931 58.200 0.083 0.000 1.113 1002 S CB -0.259 62.937 63.200 -0.007 0.000 1.092 1002 S HN 0.104 nan 8.310 nan 0.000 0.620 1003 V N 2.812 122.851 119.914 0.209 0.000 2.427 1003 V HA 0.369 4.497 4.120 0.013 0.000 0.268 1003 V C 0.861 177.102 176.094 0.245 0.000 1.046 1003 V CA -0.316 62.090 62.300 0.177 0.000 0.970 1003 V CB 0.834 32.692 31.823 0.059 0.000 1.001 1003 V HN 0.494 nan 8.190 nan 0.000 0.476 1004 S N 3.833 119.693 115.700 0.267 0.000 2.566 1004 S HA 0.229 4.707 4.470 0.013 0.000 0.280 1004 S C 1.573 176.327 174.600 0.257 0.000 1.343 1004 S CA 0.145 58.510 58.200 0.275 0.000 1.036 1004 S CB 0.999 64.412 63.200 0.354 0.000 0.866 1004 S HN 1.001 nan 8.310 nan 0.000 0.526 1005 A N 3.199 126.125 122.820 0.178 0.000 1.940 1005 A HA -0.137 4.191 4.320 0.013 0.000 0.219 1005 A C 1.955 179.580 177.584 0.069 0.000 1.176 1005 A CA 1.771 53.898 52.037 0.149 0.000 0.631 1005 A CB -0.603 18.461 19.000 0.106 0.000 0.814 1005 A HN 0.939 nan 8.150 nan 0.000 0.446 1006 E N -0.767 119.412 120.200 -0.034 0.000 2.515 1006 E HA -0.112 4.246 4.350 0.013 0.000 0.201 1006 E C 0.493 176.865 176.600 -0.380 0.000 1.071 1006 E CA 0.659 56.913 56.400 -0.243 0.000 0.880 1006 E CB -0.458 28.997 29.700 -0.408 0.000 0.828 1006 E HN 0.676 nan 8.360 nan 0.000 0.540 1007 F N 0.965 120.966 119.950 0.086 0.000 2.661 1007 F HA 0.282 4.817 4.527 0.012 0.000 0.306 1007 F C 0.788 176.620 175.800 0.054 0.000 1.094 1007 F CA -0.526 57.523 58.000 0.080 0.000 1.254 1007 F CB 0.492 39.541 39.000 0.081 0.000 1.040 1007 F HN -0.194 nan 8.300 nan 0.000 0.562 1008 Q N 1.340 121.241 119.800 0.168 0.000 2.259 1008 Q HA 0.357 4.705 4.340 0.013 0.000 0.249 1008 Q C -0.018 176.009 176.000 0.046 0.000 0.914 1008 Q CA -0.425 55.451 55.803 0.122 0.000 0.904 1008 Q CB 1.683 30.592 28.738 0.285 0.000 1.213 1008 Q HN 0.271 nan 8.270 nan 0.000 0.428 1009 L N 2.657 123.890 121.223 0.016 0.000 2.376 1009 L HA 0.044 4.392 4.340 0.013 0.000 0.250 1009 L C 0.687 177.530 176.870 -0.046 0.000 1.335 1009 L CA 0.040 54.863 54.840 -0.029 0.000 1.214 1009 L CB -0.561 41.371 42.059 -0.211 0.000 1.395 1009 L HN 0.678 nan 8.230 nan 0.000 0.424 1010 S N -1.394 114.208 115.700 -0.164 0.000 2.593 1010 S HA 0.165 4.643 4.470 0.013 0.000 0.236 1010 S C 1.637 176.159 174.600 -0.131 0.000 0.991 1010 S CA 0.143 58.096 58.200 -0.412 0.000 0.963 1010 S CB 0.767 63.544 63.200 -0.704 0.000 0.865 1010 S HN 0.499 nan 8.310 nan 0.000 0.488 1011 A N 1.513 124.257 122.820 -0.127 0.000 2.121 1011 A HA 0.433 4.761 4.320 0.013 0.000 0.218 1011 A C 2.116 179.514 177.584 -0.310 0.000 1.154 1011 A CA 1.301 53.117 52.037 -0.368 0.000 0.679 1011 A CB -1.264 17.229 19.000 -0.846 0.000 0.795 1011 A HN 1.486 nan 8.150 nan 0.000 0.458 1012 G N -1.374 107.330 108.800 -0.160 0.000 2.640 1012 G HA2 -0.301 3.667 3.960 0.013 0.000 0.226 1012 G HA3 -0.301 3.667 3.960 0.013 0.000 0.226 1012 G C 0.484 175.352 174.900 -0.055 0.000 1.222 1012 G CA 0.460 45.541 45.100 -0.032 0.000 0.729 1012 G HN 0.679 nan 8.290 nan 0.000 0.516 1013 R N -0.323 120.030 120.500 -0.244 0.000 2.494 1013 R HA 0.698 5.046 4.340 0.013 0.000 0.305 1013 R C -1.487 174.558 176.300 -0.425 0.000 0.959 1013 R CA -0.537 55.460 56.100 -0.172 0.000 0.864 1013 R CB 1.315 31.564 30.300 -0.085 0.000 1.159 1013 R HN 0.284 nan 8.270 nan 0.000 0.446 1014 Y N 0.733 121.026 120.300 -0.012 0.000 2.406 1014 Y HA 0.285 4.843 4.550 0.013 0.000 0.340 1014 Y C -0.454 175.580 175.900 0.223 0.000 0.975 1014 Y CA -0.818 57.232 58.100 -0.083 0.000 1.056 1014 Y CB 1.982 40.274 38.460 -0.280 0.000 1.210 1014 Y HN 0.582 nan 8.280 nan 0.000 0.448 1015 H N 3.453 122.768 119.070 0.408 0.000 2.524 1015 H HA 0.648 5.212 4.556 0.013 0.000 0.353 1015 H C -1.567 174.179 175.328 0.697 0.000 1.136 1015 H CA -0.831 55.475 56.048 0.431 0.000 1.193 1015 H CB 1.189 31.098 29.762 0.246 0.000 1.558 1015 H HN 0.587 nan 8.280 nan 0.000 0.515 1016 Y N 1.379 121.417 120.300 -0.437 0.000 2.662 1016 Y HA 0.374 4.932 4.550 0.013 0.000 0.334 1016 Y C -2.334 173.384 175.900 -0.303 0.000 1.185 1016 Y CA -1.081 56.905 58.100 -0.190 0.000 1.074 1016 Y CB 0.949 39.400 38.460 -0.015 0.000 1.330 1016 Y HN 0.755 nan 8.280 nan 0.000 0.458 1017 Q N 3.262 123.039 119.800 -0.039 0.000 2.435 1017 Q HA 0.847 5.195 4.340 0.013 0.000 0.282 1017 Q C -2.151 173.934 176.000 0.141 0.000 1.020 1017 Q CA -1.180 54.594 55.803 -0.048 0.000 0.820 1017 Q CB 3.450 32.207 28.738 0.031 0.000 1.436 1017 Q HN 0.805 nan 8.270 nan 0.000 0.395 1018 L N 0.538 121.828 121.223 0.111 0.000 2.465 1018 L HA 0.713 5.061 4.340 0.013 0.000 0.257 1018 L C -1.141 175.841 176.870 0.188 0.000 0.988 1018 L CA -1.235 53.711 54.840 0.176 0.000 0.827 1018 L CB 2.730 44.879 42.059 0.149 0.000 1.397 1018 L HN 0.470 nan 8.230 nan 0.000 0.410 1019 V N 0.754 120.804 119.914 0.226 0.000 2.378 1019 V HA 0.373 4.501 4.120 0.013 0.000 0.288 1019 V C -1.177 175.083 176.094 0.277 0.000 1.016 1019 V CA -0.378 62.065 62.300 0.239 0.000 0.840 1019 V CB 1.872 33.809 31.823 0.191 0.000 0.994 1019 V HN 0.596 nan 8.190 nan 0.000 0.431 1020 W N 7.094 128.458 121.300 0.106 0.000 2.376 1020 W HA 0.709 5.377 4.660 0.013 0.000 0.312 1020 W C -0.177 176.349 176.519 0.012 0.000 1.060 1020 W CA -1.075 56.256 57.345 -0.023 0.000 1.221 1020 W CB 1.432 30.948 29.460 0.093 0.000 1.281 1020 W HN 0.862 nan 8.180 nan 0.000 0.456 1021 C N 4.154 123.728 119.300 0.455 0.000 3.323 1021 C HA 0.807 5.275 4.460 0.013 0.000 0.324 1021 C C -0.737 174.381 174.990 0.214 0.000 1.428 1021 C CA -0.846 58.347 59.018 0.291 0.000 1.368 1021 C CB 1.555 29.407 27.740 0.188 0.000 1.731 1021 C HN 0.716 nan 8.230 nan 0.000 0.455 1022 Q N 1.657 121.524 119.800 0.113 0.000 2.337 1022 Q HA 0.766 5.113 4.340 0.013 0.000 0.266 1022 Q C -0.801 175.195 176.000 -0.007 0.000 1.023 1022 Q CA -0.071 55.742 55.803 0.017 0.000 0.829 1022 Q CB 1.177 29.890 28.738 -0.040 0.000 1.306 1022 Q HN 0.901 nan 8.270 nan 0.000 0.449 1023 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 1023 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543