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 1jyv_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM 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 0.000 176.092 176.300 -0.347 0.000 0.893 13 R CA 0.000 55.969 56.100 -0.219 0.000 0.921 13 R CB 0.000 30.172 30.300 -0.214 0.000 0.687 14 R N 1.900 122.062 120.500 -0.563 0.000 3.322 14 R HA -0.161 4.194 4.340 0.025 0.000 0.253 14 R C -0.268 175.505 176.300 -0.877 0.000 0.987 14 R CA 0.945 56.323 56.100 -1.203 0.000 0.666 14 R CB -1.463 28.258 30.300 -0.965 0.000 1.072 14 R HN 0.300 nan 8.270 nan 0.000 0.447 15 D N -0.042 120.041 120.400 -0.529 0.000 2.309 15 D HA -0.168 4.487 4.640 0.025 0.000 0.212 15 D C 1.565 177.788 176.300 -0.129 0.000 0.968 15 D CA 1.636 55.410 54.000 -0.378 0.000 0.882 15 D CB -0.104 40.285 40.800 -0.684 0.000 0.918 15 D HN 0.728 nan 8.370 nan 0.000 0.503 16 W N 1.300 122.609 121.300 0.015 0.000 3.377 16 W HA 0.252 4.926 4.660 0.024 0.000 0.277 16 W C 0.264 176.870 176.519 0.144 0.000 1.311 16 W CA -0.384 57.071 57.345 0.184 0.000 1.703 16 W CB -0.195 29.424 29.460 0.265 0.000 1.095 16 W HN -0.221 nan 8.180 nan 0.000 0.715 17 E N 1.458 121.567 120.200 -0.152 0.000 3.575 17 E HA 0.056 4.421 4.350 0.025 0.000 0.201 17 E C -0.847 175.599 176.600 -0.257 0.000 0.999 17 E CA -0.226 56.081 56.400 -0.156 0.000 1.315 17 E CB -0.152 29.422 29.700 -0.209 0.000 1.146 17 E HN 0.036 nan 8.360 nan 0.000 0.453 18 N N 1.018 119.606 118.700 -0.185 0.000 2.699 18 N HA 0.136 4.891 4.740 0.025 0.000 0.271 18 N C -2.472 172.899 175.510 -0.231 0.000 1.216 18 N CA -1.776 51.128 53.050 -0.243 0.000 0.844 18 N CB 1.450 39.805 38.487 -0.219 0.000 1.462 18 N HN -0.166 nan 8.380 nan 0.000 0.555 19 P HA 0.074 nan 4.420 nan 0.000 0.228 19 P C 1.131 178.202 177.300 -0.382 0.000 1.151 19 P CA 0.683 63.462 63.100 -0.534 0.000 0.770 19 P CB 0.136 31.045 31.700 -1.318 0.000 0.786 20 G N -0.654 107.962 108.800 -0.306 0.000 2.650 20 G HA2 0.033 4.008 3.960 0.025 0.000 0.214 20 G HA3 0.033 4.008 3.960 0.025 0.000 0.214 20 G C 0.262 175.084 174.900 -0.130 0.000 1.136 20 G CA 0.203 45.175 45.100 -0.214 0.000 0.789 20 G HN 0.214 nan 8.290 nan 0.000 0.536 21 V N 1.691 121.544 119.914 -0.102 0.000 2.325 21 V HA 0.267 4.401 4.120 0.025 0.000 0.280 21 V C 0.868 177.012 176.094 0.084 0.000 1.016 21 V CA 0.099 62.388 62.300 -0.020 0.000 0.818 21 V CB 1.160 32.948 31.823 -0.059 0.000 1.019 21 V HN 0.326 nan 8.190 nan 0.000 0.434 22 T N 0.660 115.262 114.554 0.079 0.000 3.040 22 T HA 0.365 4.730 4.350 0.025 0.000 0.250 22 T C 0.281 175.048 174.700 0.112 0.000 1.058 22 T CA 0.147 62.308 62.100 0.102 0.000 0.988 22 T CB 0.253 69.133 68.868 0.020 0.000 0.993 22 T HN 0.704 nan 8.240 nan 0.000 0.519 23 Q N 0.040 119.949 119.800 0.183 0.000 2.848 23 Q HA 0.662 5.017 4.340 0.025 0.000 0.288 23 Q C -2.296 173.848 176.000 0.241 0.000 0.907 23 Q CA -1.057 54.851 55.803 0.174 0.000 0.792 23 Q CB 0.719 29.467 28.738 0.017 0.000 1.534 23 Q HN 0.212 nan 8.270 nan 0.000 0.419 24 L N 1.441 122.829 121.223 0.275 0.000 2.464 24 L HA 0.600 4.955 4.340 0.025 0.000 0.266 24 L C -0.604 176.398 176.870 0.222 0.000 0.965 24 L CA -0.879 54.123 54.840 0.269 0.000 0.833 24 L CB 2.002 44.328 42.059 0.446 0.000 1.296 24 L HN 0.854 nan 8.230 nan 0.000 0.405 25 N N 0.718 119.515 118.700 0.162 0.000 2.778 25 N HA -0.214 4.540 4.740 0.025 0.000 0.249 25 N C 0.236 175.840 175.510 0.157 0.000 1.069 25 N CA 0.890 54.027 53.050 0.146 0.000 0.831 25 N CB -0.803 37.724 38.487 0.067 0.000 1.142 25 N HN 0.647 nan 8.380 nan 0.000 0.573 26 R N 0.950 121.456 120.500 0.010 0.000 2.490 26 R HA 0.361 4.716 4.340 0.025 0.000 0.280 26 R C 0.516 176.672 176.300 -0.240 0.000 1.077 26 R CA -0.267 55.598 56.100 -0.392 0.000 1.065 26 R CB 0.500 30.592 30.300 -0.346 0.000 1.003 26 R HN 0.128 nan 8.270 nan 0.000 0.470 27 L N 3.027 124.083 121.223 -0.279 0.000 2.453 27 L HA 0.322 4.677 4.340 0.025 0.000 0.261 27 L C 0.650 177.468 176.870 -0.087 0.000 1.179 27 L CA -0.606 54.166 54.840 -0.114 0.000 0.813 27 L CB 0.963 42.980 42.059 -0.070 0.000 1.110 27 L HN 0.792 nan 8.230 nan 0.000 0.466 28 A N 1.427 124.235 122.820 -0.021 0.000 2.466 28 A HA 0.462 4.797 4.320 0.025 0.000 0.238 28 A C 0.276 177.859 177.584 -0.002 0.000 1.074 28 A CA 0.070 52.102 52.037 -0.010 0.000 0.774 28 A CB 0.150 19.171 19.000 0.033 0.000 1.015 28 A HN 0.791 nan 8.150 nan 0.000 0.498 29 A N 1.169 123.942 122.820 -0.078 0.000 2.332 29 A HA 0.701 5.036 4.320 0.025 0.000 0.258 29 A C 0.079 177.563 177.584 -0.166 0.000 1.087 29 A CA 0.437 52.349 52.037 -0.207 0.000 0.802 29 A CB -0.016 18.860 19.000 -0.205 0.000 1.042 29 A HN 1.913 nan 8.150 nan 0.000 0.489 30 H N -2.235 116.683 119.070 -0.252 0.000 2.917 30 H HA 0.633 5.203 4.556 0.025 0.000 0.299 30 H C -3.421 171.629 175.328 -0.463 0.000 1.418 30 H CA -1.743 54.096 56.048 -0.348 0.000 1.138 30 H CB 0.088 29.530 29.762 -0.532 0.000 1.830 30 H HN 0.376 nan 8.280 nan 0.000 0.514 31 P HA 0.244 nan 4.420 nan 0.000 0.276 31 P C -2.618 174.536 177.300 -0.242 0.000 1.261 31 P CA -1.527 61.385 63.100 -0.313 0.000 0.800 31 P CB -0.115 31.334 31.700 -0.418 0.000 1.066 32 P HA 0.017 nan 4.420 nan 0.000 0.261 32 P C -0.782 176.723 177.300 0.341 0.000 1.183 32 P CA 1.189 64.336 63.100 0.078 0.000 0.761 32 P CB -0.174 31.612 31.700 0.142 0.000 0.785 33 F N 1.424 121.482 119.950 0.180 0.000 2.556 33 F HA 0.610 5.151 4.527 0.025 0.000 0.327 33 F C 1.020 176.756 175.800 -0.107 0.000 1.059 33 F CA -1.032 57.011 58.000 0.071 0.000 0.953 33 F CB 2.155 41.149 39.000 -0.010 0.000 1.227 33 F HN 0.210 nan 8.300 nan 0.000 0.478 34 A N 0.251 123.008 122.820 -0.105 0.000 2.664 34 A HA 0.224 4.559 4.320 0.025 0.000 0.222 34 A C 0.593 177.882 177.584 -0.492 0.000 1.320 34 A CA 0.401 52.135 52.037 -0.506 0.000 1.029 34 A CB -0.127 18.068 19.000 -1.343 0.000 1.318 34 A HN 0.735 nan 8.150 nan 0.000 0.589 35 S N 0.627 116.146 115.700 -0.301 0.000 3.477 35 S HA -0.153 4.332 4.470 0.025 0.000 0.371 35 S C 0.082 174.607 174.600 -0.124 0.000 0.965 35 S CA 0.463 58.543 58.200 -0.201 0.000 1.239 35 S CB -1.547 61.541 63.200 -0.185 0.000 0.918 35 S HN 0.462 nan 8.310 nan 0.000 0.498 36 W N 1.516 122.796 121.300 -0.034 0.000 2.148 36 W HA 0.227 4.901 4.660 0.024 0.000 0.347 36 W C 1.375 177.871 176.519 -0.040 0.000 1.288 36 W CA -0.494 56.836 57.345 -0.026 0.000 1.252 36 W CB 0.198 29.643 29.460 -0.025 0.000 1.156 36 W HN 0.329 nan 8.180 nan 0.000 0.580 37 R N 1.822 122.447 120.500 0.208 0.000 2.613 37 R HA 0.103 4.458 4.340 0.025 0.000 0.361 37 R C -0.159 176.192 176.300 0.086 0.000 1.072 37 R CA -0.153 56.009 56.100 0.104 0.000 1.089 37 R CB -0.151 30.180 30.300 0.051 0.000 1.343 37 R HN 0.371 nan 8.270 nan 0.000 0.571 38 N N 0.017 118.779 118.700 0.104 0.000 2.478 38 N HA 0.111 4.865 4.740 0.025 0.000 0.291 38 N C -0.105 175.370 175.510 -0.058 0.000 1.090 38 N CA -0.003 53.058 53.050 0.017 0.000 0.911 38 N CB 1.856 40.351 38.487 0.014 0.000 1.546 38 N HN -0.248 nan 8.380 nan 0.000 0.500 39 S N 2.357 118.002 115.700 -0.092 0.000 2.382 39 S HA -0.167 4.318 4.470 0.025 0.000 0.228 39 S C 1.413 175.835 174.600 -0.297 0.000 1.027 39 S CA 1.215 59.318 58.200 -0.162 0.000 0.991 39 S CB -0.043 63.088 63.200 -0.115 0.000 0.823 39 S HN 0.765 nan 8.310 nan 0.000 0.469 40 E N 1.545 121.584 120.200 -0.269 0.000 2.153 40 E HA -0.144 4.221 4.350 0.025 0.000 0.194 40 E C 1.829 178.193 176.600 -0.394 0.000 0.988 40 E CA 1.064 57.260 56.400 -0.339 0.000 0.811 40 E CB -0.128 29.426 29.700 -0.243 0.000 0.746 40 E HN 0.288 nan 8.360 nan 0.000 0.466 41 E N 0.026 119.996 120.200 -0.382 0.000 2.106 41 E HA -0.112 4.253 4.350 0.025 0.000 0.192 41 E C 1.954 177.905 176.600 -1.082 0.000 0.984 41 E CA 1.070 57.182 56.400 -0.480 0.000 0.806 41 E CB -0.395 29.151 29.700 -0.256 0.000 0.750 41 E HN 0.398 nan 8.360 nan 0.000 0.458 42 A N 1.407 123.464 122.820 -1.271 0.000 1.898 42 A HA -0.161 4.174 4.320 0.025 0.000 0.216 42 A C 2.226 179.224 177.584 -0.977 0.000 1.181 42 A CA 1.498 52.495 52.037 -1.733 0.000 0.620 42 A CB -0.440 18.065 19.000 -0.825 0.000 0.819 42 A HN 0.123 nan 8.150 nan 0.000 0.442 43 R N -0.124 119.978 120.500 -0.664 0.000 2.096 43 R HA -0.128 4.227 4.340 0.025 0.000 0.235 43 R C 1.962 178.008 176.300 -0.423 0.000 1.127 43 R CA 2.051 57.827 56.100 -0.540 0.000 0.968 43 R CB -0.412 29.449 30.300 -0.730 0.000 0.861 43 R HN 0.624 nan 8.270 nan 0.000 0.440 44 T N -2.719 111.585 114.554 -0.417 0.000 3.129 44 T HA 0.035 4.399 4.350 0.025 0.000 0.251 44 T C 0.332 174.930 174.700 -0.171 0.000 1.117 44 T CA 0.532 62.479 62.100 -0.255 0.000 1.034 44 T CB 0.080 68.822 68.868 -0.211 0.000 0.968 44 T HN 0.350 nan 8.240 nan 0.000 0.526 45 D N 0.727 120.972 120.400 -0.260 0.000 2.945 45 D HA -0.156 4.499 4.640 0.025 0.000 0.225 45 D C 0.055 176.467 176.300 0.186 0.000 1.158 45 D CA 0.445 54.447 54.000 0.003 0.000 0.805 45 D CB -1.203 39.658 40.800 0.102 0.000 1.098 45 D HN 0.598 nan 8.370 nan 0.000 0.426 46 R N 0.018 120.581 120.500 0.106 0.000 2.583 46 R HA 0.524 4.879 4.340 0.025 0.000 0.268 46 R C -2.139 174.434 176.300 0.456 0.000 1.101 46 R CA -1.421 54.810 56.100 0.218 0.000 1.180 46 R CB 0.217 30.583 30.300 0.110 0.000 1.128 46 R HN 0.047 nan 8.270 nan 0.000 0.568 47 P HA -0.050 nan 4.420 nan 0.000 0.266 47 P C -0.846 176.624 177.300 0.282 0.000 1.195 47 P CA 0.323 63.572 63.100 0.248 0.000 0.768 47 P CB 0.778 32.570 31.700 0.153 0.000 0.838 48 S N 1.851 117.615 115.700 0.107 0.000 2.451 48 S HA 0.135 4.620 4.470 0.025 0.000 0.301 48 S C 0.988 175.609 174.600 0.035 0.000 1.116 48 S CA -0.554 57.632 58.200 -0.023 0.000 1.093 48 S CB 0.481 63.379 63.200 -0.502 0.000 1.017 48 S HN 0.205 nan 8.310 nan 0.000 0.482 49 Q N 2.842 122.694 119.800 0.088 0.000 2.364 49 Q HA -0.017 4.338 4.340 0.025 0.000 0.207 49 Q C 0.897 177.005 176.000 0.180 0.000 0.970 49 Q CA 1.186 57.069 55.803 0.134 0.000 0.888 49 Q CB -0.178 28.641 28.738 0.135 0.000 0.951 49 Q HN 0.693 nan 8.270 nan 0.000 0.469 50 Q N -0.328 119.497 119.800 0.042 0.000 2.280 50 Q HA 0.170 4.525 4.340 0.025 0.000 0.201 50 Q C -0.491 175.551 176.000 0.071 0.000 0.890 50 Q CA 0.037 55.811 55.803 -0.048 0.000 0.947 50 Q CB 0.543 29.170 28.738 -0.185 0.000 1.081 50 Q HN 0.041 nan 8.270 nan 0.000 0.502 51 L N 0.655 121.948 121.223 0.116 0.000 2.377 51 L HA 0.451 4.806 4.340 0.025 0.000 0.270 51 L C -1.272 175.694 176.870 0.160 0.000 0.991 51 L CA -0.413 54.496 54.840 0.116 0.000 0.851 51 L CB 1.049 43.087 42.059 -0.035 0.000 1.218 51 L HN -0.103 nan 8.230 nan 0.000 0.420 52 R N 2.587 123.216 120.500 0.216 0.000 2.460 52 R HA 0.562 4.917 4.340 0.025 0.000 0.303 52 R C -0.354 175.966 176.300 0.034 0.000 0.968 52 R CA -0.681 55.481 56.100 0.103 0.000 0.889 52 R CB 1.901 32.214 30.300 0.022 0.000 1.123 52 R HN 0.654 nan 8.270 nan 0.000 0.455 53 S N 2.354 118.064 115.700 0.016 0.000 2.545 53 S HA 0.219 4.704 4.470 0.025 0.000 0.275 53 S C 0.701 175.290 174.600 -0.018 0.000 1.299 53 S CA -0.592 57.607 58.200 -0.002 0.000 1.048 53 S CB 0.446 63.657 63.200 0.017 0.000 0.938 53 S HN 0.559 nan 8.310 nan 0.000 0.496 54 L N 3.764 124.972 121.223 -0.025 0.000 2.818 54 L HA 0.291 4.645 4.340 0.025 0.000 0.243 54 L C 0.196 177.192 176.870 0.211 0.000 1.185 54 L CA -0.369 54.475 54.840 0.007 0.000 0.988 54 L CB -0.297 41.718 42.059 -0.074 0.000 1.292 54 L HN 0.512 nan 8.230 nan 0.000 0.519 55 N N 1.180 119.952 118.700 0.120 0.000 2.508 55 N HA 0.483 5.238 4.740 0.025 0.000 0.264 55 N C 0.658 176.280 175.510 0.187 0.000 1.216 55 N CA 0.995 54.121 53.050 0.127 0.000 0.943 55 N CB 1.396 39.902 38.487 0.031 0.000 1.113 55 N HN 0.301 nan 8.380 nan 0.000 0.447 56 G N 0.623 109.558 108.800 0.224 0.000 2.240 56 G HA2 -0.094 3.881 3.960 0.025 0.000 0.199 56 G HA3 -0.094 3.881 3.960 0.025 0.000 0.199 56 G C -1.487 173.610 174.900 0.328 0.000 1.342 56 G CA -0.765 44.460 45.100 0.208 0.000 1.145 56 G HN 0.466 nan 8.290 nan 0.000 0.477 57 E N 0.241 120.604 120.200 0.272 0.000 2.223 57 E HA 0.441 4.806 4.350 0.025 0.000 0.282 57 E C -0.920 175.911 176.600 0.385 0.000 1.046 57 E CA -0.129 56.448 56.400 0.295 0.000 0.857 57 E CB 1.027 30.823 29.700 0.161 0.000 1.055 57 E HN 0.338 nan 8.360 nan 0.000 0.409 58 W N 1.668 123.060 121.300 0.153 0.000 2.869 58 W HA 0.396 5.071 4.660 0.025 0.000 0.345 58 W C 0.248 176.899 176.519 0.220 0.000 1.191 58 W CA -0.683 56.785 57.345 0.205 0.000 1.104 58 W CB 0.726 30.369 29.460 0.306 0.000 1.471 58 W HN 0.183 nan 8.180 nan 0.000 0.612 59 R N 1.283 122.058 120.500 0.458 0.000 2.474 59 R HA 0.605 4.960 4.340 0.025 0.000 0.295 59 R C -1.500 175.065 176.300 0.441 0.000 0.980 59 R CA -0.940 55.374 56.100 0.356 0.000 0.934 59 R CB 1.219 31.669 30.300 0.250 0.000 1.101 59 R HN 0.469 nan 8.270 nan 0.000 0.469 60 F N 0.214 120.224 119.950 0.100 0.000 2.608 60 F HA 0.645 5.187 4.527 0.025 0.000 0.309 60 F C -1.642 174.018 175.800 -0.233 0.000 1.103 60 F CA -0.605 57.312 58.000 -0.139 0.000 0.954 60 F CB 2.004 40.817 39.000 -0.313 0.000 1.267 60 F HN 0.616 nan 8.300 nan 0.000 0.444 61 A N 4.236 126.274 122.820 -1.303 0.000 2.455 61 A HA 0.563 4.898 4.320 0.025 0.000 0.300 61 A C -2.407 174.205 177.584 -1.620 0.000 1.040 61 A CA -0.522 50.859 52.037 -1.094 0.000 0.697 61 A CB 0.739 19.415 19.000 -0.541 0.000 1.265 61 A HN 0.959 nan 8.150 nan 0.000 0.407 62 W N 2.687 123.109 121.300 -1.464 0.000 2.417 62 W HA 0.729 5.404 4.660 0.025 0.000 0.317 62 W C -1.706 174.140 176.519 -1.123 0.000 1.121 62 W CA -0.220 56.417 57.345 -1.179 0.000 1.208 62 W CB 0.913 29.953 29.460 -0.700 0.000 1.253 62 W HN 0.493 nan 8.180 nan 0.000 0.533 63 F N 6.348 125.657 119.950 -1.069 0.000 2.577 63 F HA 0.365 4.907 4.527 0.025 0.000 0.318 63 F C -1.238 173.705 175.800 -1.428 0.000 1.065 63 F CA -2.222 55.255 58.000 -0.871 0.000 0.929 63 F CB 1.971 40.589 39.000 -0.638 0.000 1.237 63 F HN 0.224 nan 8.300 nan 0.000 0.468 64 P HA 0.132 nan 4.420 nan 0.000 0.236 64 P C -0.417 176.748 177.300 -0.226 0.000 1.177 64 P CA 0.758 63.583 63.100 -0.458 0.000 0.773 64 P CB 0.718 32.448 31.700 0.050 0.000 0.878 65 A N -0.243 122.456 122.820 -0.201 0.000 2.599 65 A HA 0.497 4.831 4.320 0.025 0.000 0.294 65 A C -2.469 175.013 177.584 -0.170 0.000 1.055 65 A CA -0.939 51.032 52.037 -0.110 0.000 0.683 65 A CB 0.461 19.462 19.000 0.002 0.000 1.278 65 A HN -0.295 nan 8.150 nan 0.000 0.412 66 P HA -0.109 nan 4.420 nan 0.000 0.220 66 P C 0.709 177.912 177.300 -0.162 0.000 1.148 66 P CA 1.431 64.395 63.100 -0.227 0.000 0.803 66 P CB 0.251 31.789 31.700 -0.270 0.000 0.782 67 E N 0.054 120.222 120.200 -0.054 0.000 2.401 67 E HA -0.048 4.316 4.350 0.025 0.000 0.199 67 E C 1.922 178.457 176.600 -0.110 0.000 1.023 67 E CA 1.100 57.476 56.400 -0.040 0.000 0.859 67 E CB -0.794 28.919 29.700 0.022 0.000 0.780 67 E HN 0.258 nan 8.360 nan 0.000 0.523 68 A N 0.158 122.878 122.820 -0.168 0.000 2.275 68 A HA 0.135 4.470 4.320 0.025 0.000 0.212 68 A C 0.565 177.866 177.584 -0.472 0.000 1.201 68 A CA -0.216 51.718 52.037 -0.170 0.000 0.843 68 A CB 0.393 19.388 19.000 -0.009 0.000 0.873 68 A HN 0.028 nan 8.150 nan 0.000 0.492 69 V N 2.766 122.289 119.914 -0.652 0.000 2.470 69 V HA 0.199 4.334 4.120 0.025 0.000 0.276 69 V C -2.259 173.494 176.094 -0.567 0.000 1.040 69 V CA -1.433 60.247 62.300 -1.033 0.000 1.008 69 V CB 0.664 31.927 31.823 -0.934 0.000 0.990 69 V HN 0.268 nan 8.190 nan 0.000 0.477 70 P HA 0.219 nan 4.420 nan 0.000 0.271 70 P C 0.295 177.527 177.300 -0.113 0.000 1.216 70 P CA -0.299 62.681 63.100 -0.201 0.000 0.771 70 P CB 0.850 32.491 31.700 -0.098 0.000 0.864 71 E N 0.839 120.989 120.200 -0.083 0.000 2.204 71 E HA -0.173 4.192 4.350 0.025 0.000 0.195 71 E C 1.867 178.436 176.600 -0.052 0.000 0.990 71 E CA 1.585 57.942 56.400 -0.071 0.000 0.821 71 E CB -0.645 29.015 29.700 -0.065 0.000 0.750 71 E HN 0.530 nan 8.360 nan 0.000 0.477 72 S N 0.097 115.786 115.700 -0.019 0.000 2.400 72 S HA -0.251 4.234 4.470 0.025 0.000 0.232 72 S C 1.826 176.430 174.600 0.006 0.000 1.025 72 S CA 0.914 59.109 58.200 -0.007 0.000 0.993 72 S CB -0.868 62.340 63.200 0.014 0.000 0.808 72 S HN 0.600 nan 8.310 nan 0.000 0.478 73 W N 2.283 123.485 121.300 -0.164 0.000 2.341 73 W HA -0.032 4.643 4.660 0.024 0.000 0.283 73 W C 1.629 178.027 176.519 -0.203 0.000 1.215 73 W CA 1.140 58.383 57.345 -0.170 0.000 1.211 73 W CB -0.345 28.988 29.460 -0.211 0.000 1.131 73 W HN 0.289 nan 8.180 nan 0.000 0.552 74 L N 0.202 121.206 121.223 -0.366 0.000 2.141 74 L HA -0.154 4.201 4.340 0.025 0.000 0.209 74 L C 2.507 179.139 176.870 -0.396 0.000 1.094 74 L CA 1.207 55.675 54.840 -0.619 0.000 0.763 74 L CB -0.643 41.080 42.059 -0.561 0.000 0.908 74 L HN -0.067 nan 8.230 nan 0.000 0.437 75 E N -0.843 119.215 120.200 -0.237 0.000 2.216 75 E HA 0.035 4.399 4.350 0.025 0.000 0.192 75 E C 0.404 176.924 176.600 -0.134 0.000 0.973 75 E CA 0.612 56.925 56.400 -0.145 0.000 0.851 75 E CB 0.598 30.249 29.700 -0.082 0.000 0.804 75 E HN 0.515 nan 8.360 nan 0.000 0.477 76 C N -0.784 118.438 119.300 -0.129 0.000 3.288 76 C HA 0.503 4.978 4.460 0.025 0.000 0.318 76 C C -0.224 174.742 174.990 -0.040 0.000 1.356 76 C CA -1.649 57.319 59.018 -0.084 0.000 1.359 76 C CB 0.886 28.602 27.740 -0.040 0.000 1.688 76 C HN 0.099 nan 8.230 nan 0.000 0.467 77 D N 0.518 120.914 120.400 -0.008 0.000 2.506 77 D HA 0.304 4.959 4.640 0.025 0.000 0.234 77 D C -0.297 176.071 176.300 0.112 0.000 1.143 77 D CA 0.453 54.492 54.000 0.066 0.000 0.871 77 D CB 0.471 41.303 40.800 0.054 0.000 1.190 77 D HN 0.567 nan 8.370 nan 0.000 0.459 78 L N 5.615 126.952 121.223 0.190 0.000 2.305 78 L HA 0.279 4.634 4.340 0.025 0.000 0.281 78 L C -1.315 175.616 176.870 0.102 0.000 1.085 78 L CA -1.615 53.319 54.840 0.156 0.000 0.813 78 L CB 1.341 43.512 42.059 0.186 0.000 1.157 78 L HN 0.472 nan 8.230 nan 0.000 0.436 79 P HA -0.149 nan 4.420 nan 0.000 0.218 79 P C 0.713 178.041 177.300 0.047 0.000 1.149 79 P CA 1.084 64.216 63.100 0.053 0.000 0.817 79 P CB 0.258 31.983 31.700 0.041 0.000 0.785 80 E N -0.240 119.985 120.200 0.041 0.000 2.427 80 E HA 0.127 4.492 4.350 0.025 0.000 0.196 80 E C 1.071 177.682 176.600 0.018 0.000 1.028 80 E CA 0.184 56.596 56.400 0.020 0.000 0.864 80 E CB -0.804 28.891 29.700 -0.008 0.000 0.813 80 E HN 0.193 nan 8.360 nan 0.000 0.514 81 A N 1.341 124.184 122.820 0.037 0.000 2.429 81 A HA 0.112 4.447 4.320 0.025 0.000 0.242 81 A C 0.049 177.685 177.584 0.087 0.000 1.088 81 A CA -0.141 51.918 52.037 0.036 0.000 0.784 81 A CB 0.276 19.326 19.000 0.083 0.000 1.038 81 A HN -0.021 nan 8.150 nan 0.000 0.501 82 D N -0.499 119.984 120.400 0.138 0.000 2.384 82 D HA 0.503 5.158 4.640 0.025 0.000 0.250 82 D C -0.683 175.737 176.300 0.201 0.000 1.029 82 D CA -0.010 54.096 54.000 0.176 0.000 0.990 82 D CB 1.288 42.243 40.800 0.257 0.000 1.175 82 D HN 0.389 nan 8.370 nan 0.000 0.532 83 T N 0.560 115.215 114.554 0.168 0.000 2.743 83 T HA 0.499 4.864 4.350 0.025 0.000 0.292 83 T C 0.127 174.924 174.700 0.161 0.000 0.972 83 T CA -0.571 61.634 62.100 0.174 0.000 0.967 83 T CB 0.667 69.610 68.868 0.124 0.000 0.926 83 T HN 0.283 nan 8.240 nan 0.000 0.459 84 V N 1.272 121.316 119.914 0.216 0.000 3.141 84 V HA 0.817 4.951 4.120 0.025 0.000 0.312 84 V C -0.353 175.865 176.094 0.206 0.000 1.157 84 V CA -1.039 61.344 62.300 0.138 0.000 1.041 84 V CB 1.664 33.589 31.823 0.170 0.000 1.071 84 V HN 0.494 nan 8.190 nan 0.000 0.441 85 V N 1.647 121.652 119.914 0.153 0.000 2.607 85 V HA 0.529 4.664 4.120 0.025 0.000 0.289 85 V C 0.002 176.202 176.094 0.177 0.000 1.053 85 V CA -0.157 62.248 62.300 0.174 0.000 0.996 85 V CB 1.456 33.344 31.823 0.109 0.000 0.995 85 V HN 0.752 nan 8.190 nan 0.000 0.476 86 V N 6.745 126.682 119.914 0.039 0.000 2.540 86 V HA 0.448 4.582 4.120 0.025 0.000 0.302 86 V C -2.262 173.729 176.094 -0.172 0.000 1.035 86 V CA -1.695 60.476 62.300 -0.216 0.000 0.873 86 V CB 2.345 33.672 31.823 -0.826 0.000 0.992 86 V HN 0.768 nan 8.190 nan 0.000 0.428 87 P HA 0.446 nan 4.420 nan 0.000 0.277 87 P C -0.784 176.452 177.300 -0.106 0.000 1.240 87 P CA -0.110 62.871 63.100 -0.199 0.000 0.798 87 P CB 1.358 32.951 31.700 -0.179 0.000 0.979 88 S N 0.301 115.949 115.700 -0.085 0.000 2.615 88 S HA 0.421 4.906 4.470 0.025 0.000 0.268 88 S C -1.265 173.271 174.600 -0.107 0.000 1.146 88 S CA -1.029 57.104 58.200 -0.112 0.000 0.818 88 S CB 0.524 63.625 63.200 -0.164 0.000 1.111 88 S HN 0.363 nan 8.310 nan 0.000 0.465 89 N N 0.823 119.389 118.700 -0.222 0.000 2.400 89 N HA 0.457 5.212 4.740 0.025 0.000 0.288 89 N C 0.419 175.748 175.510 -0.301 0.000 1.024 89 N CA -0.850 52.038 53.050 -0.270 0.000 0.894 89 N CB 0.771 39.064 38.487 -0.323 0.000 1.173 89 N HN 0.866 nan 8.380 nan 0.000 0.487 90 W N 2.291 123.457 121.300 -0.224 0.000 2.525 90 W HA -0.029 4.646 4.660 0.025 0.000 0.259 90 W C 0.902 177.386 176.519 -0.058 0.000 1.253 90 W CA 0.610 57.813 57.345 -0.236 0.000 1.262 90 W CB -0.379 28.892 29.460 -0.314 0.000 1.122 90 W HN 0.510 nan 8.180 nan 0.000 0.607 91 Q N 0.563 120.328 119.800 -0.058 0.000 2.226 91 Q HA -0.107 4.248 4.340 0.025 0.000 0.204 91 Q C 2.132 178.076 176.000 -0.093 0.000 0.975 91 Q CA 1.757 57.533 55.803 -0.046 0.000 0.866 91 Q CB -0.577 28.024 28.738 -0.228 0.000 0.915 91 Q HN 0.279 nan 8.270 nan 0.000 0.440 92 M N -0.870 118.628 119.600 -0.171 0.000 2.562 92 M HA -0.024 4.471 4.480 0.025 0.000 0.257 92 M C 0.661 176.999 176.300 0.062 0.000 1.099 92 M CA 1.251 56.471 55.300 -0.134 0.000 1.099 92 M CB -0.512 31.983 32.600 -0.175 0.000 1.427 92 M HN 0.385 nan 8.290 nan 0.000 0.489 93 H N -0.722 118.370 119.070 0.038 0.000 2.551 93 H HA 0.269 4.840 4.556 0.025 0.000 0.271 93 H C 1.235 176.441 175.328 -0.203 0.000 0.984 93 H CA 0.124 56.168 56.048 -0.008 0.000 1.164 93 H CB 0.439 30.297 29.762 0.160 0.000 1.437 93 H HN 0.555 nan 8.280 nan 0.000 0.550 94 G N 0.599 109.401 108.800 0.002 0.000 2.136 94 G HA2 -0.355 3.620 3.960 0.025 0.000 0.242 94 G HA3 -0.355 3.620 3.960 0.025 0.000 0.242 94 G C 0.329 175.130 174.900 -0.165 0.000 0.989 94 G CA 0.275 45.321 45.100 -0.089 0.000 0.682 94 G HN 0.484 nan 8.290 nan 0.000 0.522 95 Y N 1.392 121.723 120.300 0.052 0.000 2.373 95 Y HA 0.264 4.829 4.550 0.025 0.000 0.293 95 Y C 1.629 177.327 175.900 -0.337 0.000 1.129 95 Y CA 1.505 59.530 58.100 -0.124 0.000 1.226 95 Y CB 0.276 38.730 38.460 -0.010 0.000 1.000 95 Y HN 0.651 nan 8.280 nan 0.000 0.549 96 D N -1.829 118.653 120.400 0.136 0.000 2.665 96 D HA 0.483 5.137 4.640 0.025 0.000 0.287 96 D C -1.250 175.143 176.300 0.154 0.000 1.266 96 D CA -0.885 53.186 54.000 0.118 0.000 0.830 96 D CB 0.774 41.762 40.800 0.313 0.000 1.356 96 D HN -0.069 nan 8.370 nan 0.000 0.437 97 A N 0.212 123.129 122.820 0.161 0.000 2.310 97 A HA 0.702 5.036 4.320 0.025 0.000 0.299 97 A C -2.328 175.298 177.584 0.070 0.000 1.147 97 A CA -1.211 50.903 52.037 0.129 0.000 0.818 97 A CB 0.153 19.297 19.000 0.240 0.000 1.096 97 A HN 0.542 nan 8.150 nan 0.000 0.495 98 P HA 0.414 nan 4.420 nan 0.000 0.275 98 P C -0.867 176.615 177.300 0.302 0.000 1.228 98 P CA 0.098 63.160 63.100 -0.062 0.000 0.786 98 P CB 0.760 32.190 31.700 -0.449 0.000 0.927 99 I N 2.204 123.029 120.570 0.424 0.000 2.474 99 I HA 0.257 4.442 4.170 0.025 0.000 0.294 99 I C -0.480 175.792 176.117 0.258 0.000 1.005 99 I CA -0.984 60.553 61.300 0.395 0.000 1.113 99 I CB 1.621 39.791 38.000 0.284 0.000 1.289 99 I HN 0.283 nan 8.210 nan 0.000 0.436 100 Y N 5.924 126.105 120.300 -0.199 0.000 2.491 100 Y HA 0.506 5.070 4.550 0.024 0.000 0.334 100 Y C -0.314 175.411 175.900 -0.292 0.000 0.969 100 Y CA -0.565 57.141 58.100 -0.657 0.000 1.241 100 Y CB 1.040 38.647 38.460 -1.422 0.000 1.105 100 Y HN 0.534 nan 8.280 nan 0.000 0.503 101 T N 5.181 119.258 114.554 -0.795 0.000 2.876 101 T HA 0.254 4.619 4.350 0.025 0.000 0.289 101 T C 0.299 174.531 174.700 -0.780 0.000 1.014 101 T CA -0.602 61.061 62.100 -0.728 0.000 0.986 101 T CB 1.068 69.731 68.868 -0.340 0.000 1.021 101 T HN 0.751 nan 8.240 nan 0.000 0.458 102 N N 2.947 121.211 118.700 -0.726 0.000 2.202 102 N HA 0.018 4.773 4.740 0.025 0.000 0.191 102 N C 1.534 176.787 175.510 -0.429 0.000 1.054 102 N CA 1.704 54.471 53.050 -0.472 0.000 0.877 102 N CB -0.621 37.609 38.487 -0.429 0.000 1.057 102 N HN 0.408 nan 8.380 nan 0.000 0.456 103 V N 0.276 119.868 119.914 -0.535 0.000 2.521 103 V HA 0.110 4.245 4.120 0.025 0.000 0.239 103 V C 0.396 176.180 176.094 -0.516 0.000 1.053 103 V CA 0.846 62.752 62.300 -0.656 0.000 1.073 103 V CB -0.799 30.517 31.823 -0.845 0.000 0.746 103 V HN 0.316 nan 8.190 nan 0.000 0.476 104 T N 1.342 115.660 114.554 -0.394 0.000 2.871 104 T HA 0.090 4.455 4.350 0.025 0.000 0.296 104 T C -0.315 174.250 174.700 -0.225 0.000 0.998 104 T CA 0.341 62.289 62.100 -0.254 0.000 1.162 104 T CB -0.342 68.408 68.868 -0.197 0.000 0.947 104 T HN 0.177 nan 8.240 nan 0.000 0.536 105 Y N 4.752 124.961 120.300 -0.152 0.000 2.550 105 Y HA 0.110 4.675 4.550 0.024 0.000 0.343 105 Y C -0.789 174.993 175.900 -0.196 0.000 1.245 105 Y CA -1.621 56.382 58.100 -0.161 0.000 1.462 105 Y CB 0.452 38.816 38.460 -0.160 0.000 1.340 105 Y HN 0.509 nan 8.280 nan 0.000 0.604 106 P HA 0.017 nan 4.420 nan 0.000 0.245 106 P C -0.402 176.683 177.300 -0.357 0.000 1.212 106 P CA 1.025 64.030 63.100 -0.158 0.000 0.774 106 P CB 0.023 31.679 31.700 -0.073 0.000 0.999 107 I N -5.326 115.007 120.570 -0.394 0.000 3.002 107 I HA 0.497 4.682 4.170 0.025 0.000 0.310 107 I C -0.489 175.500 176.117 -0.213 0.000 1.087 107 I CA -1.246 59.790 61.300 -0.439 0.000 1.017 107 I CB 1.636 39.211 38.000 -0.708 0.000 1.226 107 I HN -0.467 nan 8.210 nan 0.000 0.443 108 T N 2.761 117.230 114.554 -0.142 0.000 2.934 108 T HA 0.140 4.505 4.350 0.025 0.000 0.306 108 T C 0.192 174.880 174.700 -0.018 0.000 1.042 108 T CA -0.184 61.885 62.100 -0.053 0.000 1.145 108 T CB 0.510 69.366 68.868 -0.019 0.000 0.982 108 T HN 0.384 nan 8.240 nan 0.000 0.544 109 V N 4.960 124.879 119.914 0.008 0.000 2.370 109 V HA 0.256 4.391 4.120 0.025 0.000 0.257 109 V C 0.651 176.781 176.094 0.060 0.000 1.064 109 V CA -0.330 61.994 62.300 0.039 0.000 0.975 109 V CB -0.246 31.581 31.823 0.008 0.000 1.067 109 V HN 0.857 nan 8.190 nan 0.000 0.485 110 N N 6.056 124.841 118.700 0.141 0.000 2.700 110 N HA 0.259 5.013 4.740 0.025 0.000 0.242 110 N C -2.921 172.670 175.510 0.135 0.000 1.541 110 N CA -1.279 51.850 53.050 0.132 0.000 0.764 110 N CB 1.587 40.185 38.487 0.185 0.000 1.319 110 N HN 0.282 nan 8.380 nan 0.000 0.518 111 P HA 0.202 nan 4.420 nan 0.000 0.268 111 P C -2.288 174.841 177.300 -0.285 0.000 1.204 111 P CA -0.698 62.026 63.100 -0.626 0.000 0.768 111 P CB 0.721 31.870 31.700 -0.919 0.000 0.842 112 P HA 0.251 nan 4.420 nan 0.000 0.266 112 P C -0.481 176.686 177.300 -0.222 0.000 1.561 112 P CA -0.353 62.553 63.100 -0.322 0.000 1.089 112 P CB 0.056 31.565 31.700 -0.319 0.000 1.534 113 F N 1.069 121.128 119.950 0.181 0.000 2.382 113 F HA 0.313 4.855 4.527 0.025 0.000 0.331 113 F C 1.345 177.310 175.800 0.276 0.000 1.121 113 F CA -0.697 57.416 58.000 0.189 0.000 1.183 113 F CB 1.001 40.062 39.000 0.101 0.000 1.207 113 F HN -0.203 nan 8.300 nan 0.000 0.555 114 V N -0.649 119.536 119.914 0.452 0.000 3.046 114 V HA 0.695 4.830 4.120 0.025 0.000 0.316 114 V C -2.729 173.526 176.094 0.268 0.000 1.104 114 V CA -2.876 59.614 62.300 0.316 0.000 1.006 114 V CB 1.325 33.386 31.823 0.397 0.000 1.058 114 V HN 0.475 nan 8.190 nan 0.000 0.440 115 P HA 0.192 nan 4.420 nan 0.000 0.267 115 P C 1.039 178.473 177.300 0.224 0.000 1.200 115 P CA 0.501 63.686 63.100 0.141 0.000 0.772 115 P CB 0.537 32.279 31.700 0.071 0.000 0.855 116 T N -1.593 113.067 114.554 0.177 0.000 2.857 116 T HA -0.085 4.280 4.350 0.025 0.000 0.266 116 T C 0.518 175.328 174.700 0.183 0.000 1.048 116 T CA 0.794 63.007 62.100 0.187 0.000 1.139 116 T CB -0.583 68.363 68.868 0.129 0.000 0.874 116 T HN 0.369 nan 8.240 nan 0.000 0.455 117 E N 2.602 122.906 120.200 0.173 0.000 2.003 117 E HA 0.299 4.664 4.350 0.025 0.000 0.279 117 E C -0.721 176.031 176.600 0.254 0.000 1.132 117 E CA -0.353 56.156 56.400 0.181 0.000 0.888 117 E CB 0.173 29.985 29.700 0.186 0.000 1.056 117 E HN 0.275 nan 8.360 nan 0.000 0.399 118 N N 4.723 123.548 118.700 0.208 0.000 2.617 118 N HA 0.253 5.008 4.740 0.025 0.000 0.263 118 N C -2.871 172.668 175.510 0.048 0.000 1.074 118 N CA -2.551 50.660 53.050 0.268 0.000 0.841 118 N CB 1.088 39.737 38.487 0.270 0.000 1.221 118 N HN 0.050 nan 8.380 nan 0.000 0.529 119 P HA 0.002 nan 4.420 nan 0.000 0.259 119 P C -0.866 176.310 177.300 -0.207 0.000 1.163 119 P CA 0.560 63.568 63.100 -0.153 0.000 0.760 119 P CB 0.382 32.297 31.700 0.359 0.000 0.762 120 T N 2.802 116.968 114.554 -0.647 0.000 2.840 120 T HA 0.558 4.922 4.350 0.025 0.000 0.287 120 T C 0.216 174.403 174.700 -0.855 0.000 0.991 120 T CA -0.580 61.218 62.100 -0.503 0.000 0.964 120 T CB 1.572 70.188 68.868 -0.421 0.000 0.954 120 T HN 0.336 nan 8.240 nan 0.000 0.438 121 G N 1.014 109.357 108.800 -0.762 0.000 2.335 121 G HA2 0.476 4.451 3.960 0.025 0.000 0.314 121 G HA3 0.476 4.451 3.960 0.025 0.000 0.314 121 G C -0.264 174.355 174.900 -0.468 0.000 1.129 121 G CA -0.365 44.143 45.100 -0.986 0.000 0.912 121 G HN 0.867 nan 8.290 nan 0.000 0.443 122 C N 3.346 122.162 119.300 -0.806 0.000 2.203 122 C HA 0.460 4.935 4.460 0.025 0.000 0.325 122 C C -0.450 174.514 174.990 -0.043 0.000 1.156 122 C CA -0.902 57.813 59.018 -0.506 0.000 1.597 122 C CB -1.843 25.183 27.740 -1.191 0.000 2.148 122 C HN 0.624 nan 8.230 nan 0.000 0.472 123 Y N 1.863 122.440 120.300 0.461 0.000 2.419 123 Y HA 0.650 5.215 4.550 0.025 0.000 0.328 123 Y C 0.823 177.172 175.900 0.749 0.000 1.162 123 Y CA -0.194 58.296 58.100 0.650 0.000 1.174 123 Y CB 1.426 40.281 38.460 0.659 0.000 1.228 123 Y HN 0.655 nan 8.280 nan 0.000 0.473 124 S N 1.789 117.970 115.700 0.801 0.000 2.570 124 S HA 0.789 5.274 4.470 0.025 0.000 0.270 124 S C -1.981 172.656 174.600 0.061 0.000 1.149 124 S CA -0.814 57.615 58.200 0.381 0.000 0.837 124 S CB 2.090 65.403 63.200 0.189 0.000 1.124 124 S HN 0.607 nan 8.310 nan 0.000 0.465 125 L N 0.909 121.993 121.223 -0.231 0.000 2.493 125 L HA 0.729 5.084 4.340 0.025 0.000 0.265 125 L C -1.105 175.696 176.870 -0.116 0.000 0.954 125 L CA 0.147 54.694 54.840 -0.489 0.000 0.844 125 L CB 2.290 43.547 42.059 -1.338 0.000 1.302 125 L HN 0.917 nan 8.230 nan 0.000 0.405 126 T N 5.772 120.297 114.554 -0.047 0.000 2.771 126 T HA 0.766 5.131 4.350 0.025 0.000 0.281 126 T C -0.830 173.942 174.700 0.121 0.000 0.982 126 T CA -0.011 62.111 62.100 0.037 0.000 0.978 126 T CB 0.321 69.172 68.868 -0.029 0.000 0.930 126 T HN 0.480 nan 8.240 nan 0.000 0.447 127 F N 1.046 120.904 119.950 -0.154 0.000 2.711 127 F HA 0.720 5.262 4.527 0.025 0.000 0.313 127 F C -0.953 174.776 175.800 -0.119 0.000 1.141 127 F CA -1.557 56.356 58.000 -0.145 0.000 0.941 127 F CB 1.364 40.258 39.000 -0.177 0.000 1.349 127 F HN 0.376 nan 8.300 nan 0.000 0.464 128 N N 0.193 118.794 118.700 -0.166 0.000 2.456 128 N HA 0.676 5.431 4.740 0.025 0.000 0.296 128 N C -1.977 173.408 175.510 -0.209 0.000 1.102 128 N CA -0.461 52.440 53.050 -0.248 0.000 0.924 128 N CB 2.012 40.422 38.487 -0.128 0.000 1.186 128 N HN 0.663 nan 8.380 nan 0.000 0.492 129 V N 2.167 121.927 119.914 -0.257 0.000 2.638 129 V HA 0.292 4.427 4.120 0.025 0.000 0.306 129 V C -0.861 175.133 176.094 -0.166 0.000 1.052 129 V CA -0.983 61.191 62.300 -0.210 0.000 0.885 129 V CB 1.769 33.507 31.823 -0.142 0.000 0.999 129 V HN 0.724 nan 8.190 nan 0.000 0.424 130 D N 2.827 123.101 120.400 -0.210 0.000 2.345 130 D HA 0.105 4.760 4.640 0.025 0.000 0.247 130 D C 0.934 177.253 176.300 0.032 0.000 1.108 130 D CA -0.084 53.863 54.000 -0.089 0.000 0.894 130 D CB 1.973 42.722 40.800 -0.085 0.000 1.203 130 D HN 0.670 nan 8.370 nan 0.000 0.430 131 E N 1.200 121.426 120.200 0.042 0.000 2.160 131 E HA -0.185 4.180 4.350 0.025 0.000 0.195 131 E C 1.667 178.341 176.600 0.122 0.000 0.991 131 E CA 1.281 57.726 56.400 0.074 0.000 0.810 131 E CB -0.047 29.681 29.700 0.046 0.000 0.742 131 E HN 0.444 nan 8.360 nan 0.000 0.466 132 S N -0.806 114.973 115.700 0.132 0.000 2.402 132 S HA -0.203 4.282 4.470 0.025 0.000 0.233 132 S C 1.738 176.413 174.600 0.124 0.000 1.030 132 S CA 1.202 59.475 58.200 0.123 0.000 1.003 132 S CB -0.910 62.363 63.200 0.122 0.000 0.813 132 S HN 0.401 nan 8.310 nan 0.000 0.477 133 W N 1.586 122.824 121.300 -0.104 0.000 2.519 133 W HA 0.342 5.017 4.660 0.025 0.000 0.266 133 W C 1.953 178.558 176.519 0.144 0.000 1.253 133 W CA 0.006 57.284 57.345 -0.112 0.000 1.274 133 W CB -0.397 29.061 29.460 -0.004 0.000 1.114 133 W HN 0.294 nan 8.180 nan 0.000 0.596 134 L N -0.201 121.201 121.223 0.298 0.000 2.515 134 L HA -0.001 4.354 4.340 0.025 0.000 0.223 134 L C 2.522 179.485 176.870 0.155 0.000 1.079 134 L CA 0.529 55.503 54.840 0.222 0.000 0.857 134 L CB -0.806 41.350 42.059 0.161 0.000 1.050 134 L HN 0.026 nan 8.230 nan 0.000 0.476 135 Q N 2.038 121.915 119.800 0.128 0.000 2.291 135 Q HA -0.090 4.265 4.340 0.025 0.000 0.205 135 Q C 0.053 176.105 176.000 0.087 0.000 0.970 135 Q CA 0.811 56.666 55.803 0.087 0.000 0.876 135 Q CB -0.026 28.750 28.738 0.064 0.000 0.935 135 Q HN 0.663 nan 8.270 nan 0.000 0.455 136 E N -1.443 118.831 120.200 0.123 0.000 2.430 136 E HA 0.573 4.938 4.350 0.025 0.000 0.279 136 E C -0.255 176.454 176.600 0.182 0.000 1.003 136 E CA -0.859 55.609 56.400 0.113 0.000 0.801 136 E CB 1.313 31.064 29.700 0.084 0.000 1.313 136 E HN 0.170 nan 8.360 nan 0.000 0.459 137 G N 0.684 109.526 108.800 0.069 0.000 2.750 137 G HA2 -0.263 3.711 3.960 0.025 0.000 0.228 137 G HA3 -0.263 3.711 3.960 0.025 0.000 0.228 137 G C -0.813 173.992 174.900 -0.158 0.000 1.367 137 G CA 0.079 45.124 45.100 -0.092 0.000 0.871 137 G HN 0.759 nan 8.290 nan 0.000 0.560 138 Q N -0.519 119.036 119.800 -0.408 0.000 2.330 138 Q HA 0.635 4.990 4.340 0.025 0.000 0.269 138 Q C -0.913 174.933 176.000 -0.256 0.000 1.022 138 Q CA -0.494 55.176 55.803 -0.222 0.000 0.796 138 Q CB 1.502 30.143 28.738 -0.162 0.000 1.271 138 Q HN 0.617 nan 8.270 nan 0.000 0.450 139 T N 4.934 119.504 114.554 0.027 0.000 2.770 139 T HA 0.477 4.841 4.350 0.025 0.000 0.283 139 T C -0.617 174.196 174.700 0.189 0.000 0.988 139 T CA -0.637 61.576 62.100 0.189 0.000 0.957 139 T CB 0.582 69.712 68.868 0.437 0.000 0.930 139 T HN 0.643 nan 8.240 nan 0.000 0.443 140 R N 2.920 123.520 120.500 0.166 0.000 2.832 140 R HA 0.789 5.144 4.340 0.025 0.000 0.271 140 R C -1.063 175.338 176.300 0.168 0.000 0.996 140 R CA -0.983 55.215 56.100 0.163 0.000 0.977 140 R CB 1.508 31.875 30.300 0.112 0.000 1.168 140 R HN 0.570 nan 8.270 nan 0.000 0.482 141 I N 2.132 122.806 120.570 0.173 0.000 2.493 141 I HA 0.464 4.648 4.170 0.025 0.000 0.298 141 I C -1.120 175.040 176.117 0.073 0.000 0.998 141 I CA -1.318 60.033 61.300 0.084 0.000 1.137 141 I CB 1.444 39.497 38.000 0.089 0.000 1.310 141 I HN 0.619 nan 8.210 nan 0.000 0.445 142 I N 6.976 127.482 120.570 -0.106 0.000 2.466 142 I HA 0.294 4.479 4.170 0.025 0.000 0.289 142 I C -1.336 174.605 176.117 -0.292 0.000 1.026 142 I CA -0.396 60.856 61.300 -0.080 0.000 1.078 142 I CB 1.666 39.634 38.000 -0.054 0.000 1.249 142 I HN 0.390 nan 8.210 nan 0.000 0.429 143 F N 4.442 124.378 119.950 -0.025 0.000 2.308 143 F HA 0.273 4.814 4.527 0.024 0.000 0.370 143 F C 1.294 176.975 175.800 -0.197 0.000 1.100 143 F CA -0.466 57.443 58.000 -0.151 0.000 1.108 143 F CB 0.716 39.580 39.000 -0.227 0.000 1.293 143 F HN 0.457 nan 8.300 nan 0.000 0.478 144 D N 2.325 122.627 120.400 -0.163 0.000 2.264 144 D HA 0.044 4.699 4.640 0.025 0.000 0.208 144 D C 0.991 177.117 176.300 -0.290 0.000 0.966 144 D CA 0.882 54.745 54.000 -0.228 0.000 0.864 144 D CB 0.410 41.011 40.800 -0.331 0.000 0.933 144 D HN 0.629 nan 8.370 nan 0.000 0.499 145 G N -0.433 108.142 108.800 -0.376 0.000 2.505 145 G HA2 0.417 4.392 3.960 0.025 0.000 0.292 145 G HA3 0.417 4.392 3.960 0.025 0.000 0.292 145 G C -1.469 173.174 174.900 -0.428 0.000 1.332 145 G CA -0.451 44.318 45.100 -0.552 0.000 1.286 145 G HN -0.060 nan 8.290 nan 0.000 0.606 146 V N 2.529 122.400 119.914 -0.072 0.000 2.482 146 V HA 0.512 4.647 4.120 0.025 0.000 0.295 146 V C -0.745 175.439 176.094 0.150 0.000 1.026 146 V CA -1.164 61.100 62.300 -0.060 0.000 0.856 146 V CB 1.817 33.331 31.823 -0.514 0.000 1.001 146 V HN 0.705 nan 8.190 nan 0.000 0.424 147 N N 2.713 121.494 118.700 0.135 0.000 2.446 147 N HA 0.336 5.091 4.740 0.025 0.000 0.265 147 N C 0.600 176.038 175.510 -0.119 0.000 0.975 147 N CA 0.144 53.170 53.050 -0.040 0.000 0.928 147 N CB 2.143 40.428 38.487 -0.336 0.000 1.160 147 N HN 0.660 nan 8.380 nan 0.000 0.495 148 S N 1.903 117.575 115.700 -0.047 0.000 2.559 148 S HA 0.591 5.076 4.470 0.025 0.000 0.226 148 S C 0.310 174.974 174.600 0.106 0.000 1.030 148 S CA 0.077 58.298 58.200 0.036 0.000 0.956 148 S CB 0.337 63.571 63.200 0.057 0.000 0.900 148 S HN 0.662 nan 8.310 nan 0.000 0.510 149 A N 0.884 123.779 122.820 0.125 0.000 2.612 149 A HA 0.775 5.109 4.320 0.025 0.000 0.293 149 A C -1.340 176.348 177.584 0.174 0.000 1.075 149 A CA -0.987 51.101 52.037 0.084 0.000 0.680 149 A CB 0.852 19.914 19.000 0.104 0.000 1.279 149 A HN 1.082 nan 8.150 nan 0.000 0.411 150 F N -0.566 119.193 119.950 -0.317 0.000 2.693 150 F HA 0.745 5.287 4.527 0.024 0.000 0.309 150 F C -1.129 174.534 175.800 -0.228 0.000 1.129 150 F CA -0.811 57.086 58.000 -0.172 0.000 0.948 150 F CB 1.190 40.089 39.000 -0.169 0.000 1.315 150 F HN 0.621 nan 8.300 nan 0.000 0.447 151 H N 2.047 121.229 119.070 0.187 0.000 2.472 151 H HA 0.679 5.250 4.556 0.025 0.000 0.338 151 H C -1.431 173.840 175.328 -0.095 0.000 1.133 151 H CA -0.721 55.322 56.048 -0.007 0.000 1.216 151 H CB 2.496 32.294 29.762 0.061 0.000 1.497 151 H HN 0.753 nan 8.280 nan 0.000 0.500 152 L N 3.357 124.314 121.223 -0.443 0.000 2.385 152 L HA 0.385 4.739 4.340 0.025 0.000 0.273 152 L C -1.552 174.937 176.870 -0.636 0.000 0.990 152 L CA -0.492 54.138 54.840 -0.351 0.000 0.821 152 L CB 1.288 43.005 42.059 -0.571 0.000 1.279 152 L HN 0.517 nan 8.230 nan 0.000 0.412 153 W N 4.458 125.698 121.300 -0.099 0.000 2.761 153 W HA 0.597 5.272 4.660 0.025 0.000 0.340 153 W C -1.065 175.374 176.519 -0.133 0.000 1.072 153 W CA -0.807 56.468 57.345 -0.117 0.000 1.215 153 W CB 2.065 31.501 29.460 -0.039 0.000 1.420 153 W HN 0.576 nan 8.180 nan 0.000 0.519 154 C N 4.897 124.240 119.300 0.071 0.000 2.397 154 C HA 0.291 4.766 4.460 0.025 0.000 0.325 154 C C 0.240 175.339 174.990 0.183 0.000 1.201 154 C CA -0.364 58.706 59.018 0.086 0.000 1.377 154 C CB -0.624 27.096 27.740 -0.034 0.000 2.038 154 C HN 0.814 nan 8.230 nan 0.000 0.457 155 N N 3.659 122.432 118.700 0.122 0.000 2.721 155 N HA -0.191 4.564 4.740 0.025 0.000 0.249 155 N C 0.985 176.559 175.510 0.106 0.000 1.072 155 N CA 1.976 55.080 53.050 0.089 0.000 0.710 155 N CB -1.371 37.172 38.487 0.093 0.000 0.993 155 N HN 1.858 nan 8.380 nan 0.000 0.547 156 G N -1.080 107.777 108.800 0.095 0.000 2.212 156 G HA2 -0.380 3.595 3.960 0.025 0.000 0.266 156 G HA3 -0.380 3.595 3.960 0.025 0.000 0.266 156 G C 0.180 175.246 174.900 0.276 0.000 0.978 156 G CA 0.727 45.882 45.100 0.092 0.000 0.632 156 G HN 0.572 nan 8.290 nan 0.000 0.537 157 R N -0.954 119.765 120.500 0.365 0.000 2.407 157 R HA 0.441 4.796 4.340 0.025 0.000 0.303 157 R C -0.254 176.333 176.300 0.478 0.000 0.981 157 R CA -0.946 55.438 56.100 0.473 0.000 0.905 157 R CB 0.784 31.387 30.300 0.505 0.000 1.099 157 R HN 0.236 nan 8.270 nan 0.000 0.459 158 W N 4.079 125.521 121.300 0.237 0.000 2.253 158 W HA 0.100 4.774 4.660 0.024 0.000 0.322 158 W C -0.058 176.329 176.519 -0.220 0.000 1.342 158 W CA -0.033 57.159 57.345 -0.254 0.000 1.218 158 W CB 0.708 29.996 29.460 -0.286 0.000 1.205 158 W HN 0.332 nan 8.180 nan 0.000 0.551 159 V N 5.403 124.516 119.914 -1.334 0.000 2.627 159 V HA 0.542 4.677 4.120 0.025 0.000 0.239 159 V C 1.071 176.140 176.094 -1.708 0.000 1.077 159 V CA 1.002 62.498 62.300 -1.339 0.000 1.103 159 V CB -0.424 30.659 31.823 -1.234 0.000 0.802 159 V HN 0.828 nan 8.190 nan 0.000 0.482 160 G N -1.729 105.798 108.800 -2.122 0.000 2.341 160 G HA2 0.464 4.439 3.960 0.025 0.000 0.299 160 G HA3 0.464 4.439 3.960 0.025 0.000 0.299 160 G C -2.419 171.995 174.900 -0.810 0.000 1.274 160 G CA -0.208 44.035 45.100 -1.427 0.000 0.853 160 G HN 0.041 nan 8.290 nan 0.000 0.493 161 Y N -0.549 119.464 120.300 -0.478 0.000 2.571 161 Y HA 0.706 5.271 4.550 0.024 0.000 0.341 161 Y C -0.134 175.525 175.900 -0.401 0.000 1.076 161 Y CA -0.068 57.704 58.100 -0.546 0.000 1.029 161 Y CB 2.167 40.496 38.460 -0.218 0.000 1.308 161 Y HN 1.298 nan 8.280 nan 0.000 0.461 162 G N 3.518 111.417 108.800 -1.500 0.000 2.718 162 G HA2 0.593 4.568 3.960 0.025 0.000 0.295 162 G HA3 0.593 4.568 3.960 0.025 0.000 0.295 162 G C -2.140 172.343 174.900 -0.695 0.000 1.421 162 G CA -0.896 43.709 45.100 -0.826 0.000 0.902 162 G HN 0.633 nan 8.290 nan 0.000 0.501 163 Q N -0.253 119.380 119.800 -0.279 0.000 2.668 163 Q HA 0.610 4.965 4.340 0.025 0.000 0.298 163 Q C -1.380 174.636 176.000 0.026 0.000 1.071 163 Q CA -0.887 54.871 55.803 -0.076 0.000 0.789 163 Q CB 2.648 31.392 28.738 0.010 0.000 1.497 163 Q HN 0.627 nan 8.270 nan 0.000 0.460 164 D N -0.204 120.244 120.400 0.079 0.000 4.303 164 D HA -0.097 4.558 4.640 0.025 0.000 0.230 164 D C -0.504 175.866 176.300 0.118 0.000 1.172 164 D CA 0.445 54.504 54.000 0.098 0.000 1.001 164 D CB -0.593 40.248 40.800 0.069 0.000 0.641 164 D HN 0.546 nan 8.370 nan 0.000 0.296 165 S N 3.240 119.022 115.700 0.137 0.000 2.507 165 S HA -0.075 4.410 4.470 0.025 0.000 0.235 165 S C 1.565 176.309 174.600 0.241 0.000 0.988 165 S CA 0.562 58.875 58.200 0.188 0.000 0.944 165 S CB 0.232 63.504 63.200 0.120 0.000 0.762 165 S HN 0.469 nan 8.310 nan 0.000 0.526 166 R N 0.119 120.718 120.500 0.165 0.000 2.472 166 R HA 0.431 4.785 4.340 0.025 0.000 0.279 166 R C -0.301 176.060 176.300 0.102 0.000 0.953 166 R CA 0.068 56.263 56.100 0.158 0.000 1.088 166 R CB 0.158 30.578 30.300 0.199 0.000 1.197 166 R HN 0.327 nan 8.270 nan 0.000 0.536 167 L N 1.635 122.889 121.223 0.052 0.000 2.371 167 L HA 0.502 4.857 4.340 0.025 0.000 0.262 167 L C -2.414 174.436 176.870 -0.033 0.000 1.006 167 L CA -2.275 52.566 54.840 0.001 0.000 0.818 167 L CB 3.124 45.179 42.059 -0.007 0.000 1.354 167 L HN -0.202 nan 8.230 nan 0.000 0.415 168 P HA 0.135 nan 4.420 nan 0.000 0.275 168 P C -1.060 176.207 177.300 -0.055 0.000 1.227 168 P CA -0.269 62.785 63.100 -0.076 0.000 0.781 168 P CB 1.266 32.885 31.700 -0.135 0.000 0.906 169 S N 1.653 117.380 115.700 0.044 0.000 2.478 169 S HA 0.363 4.848 4.470 0.025 0.000 0.312 169 S C -0.435 174.130 174.600 -0.057 0.000 1.094 169 S CA -0.591 57.599 58.200 -0.017 0.000 1.081 169 S CB 1.101 64.445 63.200 0.239 0.000 1.007 169 S HN 0.384 nan 8.310 nan 0.000 0.475 170 E N 1.604 121.566 120.200 -0.396 0.000 2.288 170 E HA 0.597 4.962 4.350 0.025 0.000 0.268 170 E C -1.532 174.667 176.600 -0.669 0.000 0.885 170 E CA -0.613 55.625 56.400 -0.270 0.000 0.767 170 E CB 1.873 31.509 29.700 -0.108 0.000 1.220 170 E HN 0.426 nan 8.360 nan 0.000 0.427 171 F N 0.568 120.575 119.950 0.096 0.000 2.581 171 F HA 0.174 4.716 4.527 0.025 0.000 0.311 171 F C -0.131 175.702 175.800 0.055 0.000 1.113 171 F CA -1.076 56.946 58.000 0.037 0.000 0.935 171 F CB 1.646 40.636 39.000 -0.017 0.000 1.232 171 F HN 0.275 nan 8.300 nan 0.000 0.445 172 D N 3.279 123.814 120.400 0.225 0.000 2.346 172 D HA 0.180 4.835 4.640 0.025 0.000 0.260 172 D C 0.382 176.840 176.300 0.264 0.000 1.252 172 D CA 0.444 54.563 54.000 0.198 0.000 0.895 172 D CB 0.888 41.782 40.800 0.156 0.000 1.097 172 D HN 0.578 nan 8.370 nan 0.000 0.489 173 L N 2.786 124.167 121.223 0.264 0.000 2.640 173 L HA 0.030 4.385 4.340 0.025 0.000 0.230 173 L C 2.149 179.252 176.870 0.388 0.000 1.123 173 L CA -0.187 54.859 54.840 0.344 0.000 0.900 173 L CB 0.063 42.277 42.059 0.259 0.000 1.146 173 L HN 0.265 nan 8.230 nan 0.000 0.484 174 S N 1.349 117.216 115.700 0.278 0.000 2.372 174 S HA -0.275 4.209 4.470 0.025 0.000 0.227 174 S C 2.053 176.750 174.600 0.161 0.000 1.044 174 S CA 1.885 60.206 58.200 0.201 0.000 1.050 174 S CB -0.143 63.134 63.200 0.128 0.000 0.901 174 S HN 0.569 nan 8.310 nan 0.000 0.447 175 A N -0.525 122.365 122.820 0.117 0.000 2.208 175 A HA 0.306 4.641 4.320 0.025 0.000 0.209 175 A C 1.380 178.860 177.584 -0.174 0.000 1.161 175 A CA 0.346 52.340 52.037 -0.071 0.000 0.782 175 A CB -0.430 18.439 19.000 -0.218 0.000 0.816 175 A HN 0.480 nan 8.150 nan 0.000 0.477 176 F N -0.524 119.467 119.950 0.068 0.000 2.714 176 F HA 0.349 4.891 4.527 0.025 0.000 0.294 176 F C 0.769 176.605 175.800 0.059 0.000 1.120 176 F CA -0.014 58.024 58.000 0.064 0.000 1.398 176 F CB 0.021 39.064 39.000 0.071 0.000 1.120 176 F HN -0.012 nan 8.300 nan 0.000 0.589 177 L N 0.778 122.150 121.223 0.248 0.000 2.416 177 L HA 0.514 4.869 4.340 0.025 0.000 0.262 177 L C 0.074 176.987 176.870 0.073 0.000 1.093 177 L CA -0.779 54.150 54.840 0.148 0.000 0.801 177 L CB 1.188 43.345 42.059 0.164 0.000 1.191 177 L HN 0.022 nan 8.230 nan 0.000 0.459 178 R N 0.798 121.304 120.500 0.010 0.000 2.771 178 R HA 0.796 5.151 4.340 0.025 0.000 0.274 178 R C -1.094 175.184 176.300 -0.038 0.000 0.987 178 R CA -0.904 55.193 56.100 -0.006 0.000 0.908 178 R CB 1.475 31.762 30.300 -0.021 0.000 1.213 178 R HN 0.540 nan 8.270 nan 0.000 0.468 179 A N 1.300 124.106 122.820 -0.022 0.000 2.498 179 A HA 0.523 4.858 4.320 0.025 0.000 0.239 179 A C 1.013 178.551 177.584 -0.076 0.000 1.068 179 A CA 1.036 53.050 52.037 -0.039 0.000 0.766 179 A CB -0.656 18.336 19.000 -0.014 0.000 1.003 179 A HN 1.388 nan 8.150 nan 0.000 0.497 180 G N 1.078 109.814 108.800 -0.107 0.000 2.445 180 G HA2 -0.026 3.949 3.960 0.025 0.000 0.212 180 G HA3 -0.026 3.949 3.960 0.025 0.000 0.212 180 G C -0.511 174.267 174.900 -0.203 0.000 1.217 180 G CA -0.127 44.898 45.100 -0.125 0.000 1.002 180 G HN 0.886 nan 8.290 nan 0.000 0.574 181 E N 1.839 121.925 120.200 -0.189 0.000 2.338 181 E HA 0.507 4.872 4.350 0.025 0.000 0.272 181 E C 0.315 176.721 176.600 -0.323 0.000 1.029 181 E CA -0.143 56.104 56.400 -0.256 0.000 0.872 181 E CB 0.693 30.294 29.700 -0.166 0.000 1.015 181 E HN 0.491 nan 8.360 nan 0.000 0.417 182 N N 1.858 120.237 118.700 -0.535 0.000 2.357 182 N HA 0.401 5.155 4.740 0.025 0.000 0.284 182 N C -0.840 174.456 175.510 -0.356 0.000 1.236 182 N CA -0.694 52.064 53.050 -0.487 0.000 0.774 182 N CB 2.576 40.617 38.487 -0.743 0.000 1.534 182 N HN 0.175 nan 8.380 nan 0.000 0.478 183 R N 1.394 121.832 120.500 -0.104 0.000 2.513 183 R HA 0.500 4.854 4.340 0.025 0.000 0.301 183 R C -1.267 175.100 176.300 0.112 0.000 0.968 183 R CA -0.451 55.660 56.100 0.018 0.000 0.872 183 R CB 0.870 31.137 30.300 -0.055 0.000 1.177 183 R HN 0.475 nan 8.270 nan 0.000 0.444 184 L N 3.274 124.599 121.223 0.169 0.000 2.325 184 L HA 0.746 5.101 4.340 0.025 0.000 0.279 184 L C -0.218 176.703 176.870 0.085 0.000 1.054 184 L CA -0.941 53.993 54.840 0.156 0.000 0.804 184 L CB 1.916 44.065 42.059 0.149 0.000 1.200 184 L HN 0.771 nan 8.230 nan 0.000 0.436 185 A N 3.231 126.116 122.820 0.108 0.000 2.343 185 A HA 0.780 5.115 4.320 0.025 0.000 0.308 185 A C -1.017 176.846 177.584 0.465 0.000 1.092 185 A CA -0.464 51.556 52.037 -0.027 0.000 0.751 185 A CB 1.582 20.055 19.000 -0.877 0.000 1.203 185 A HN 0.386 nan 8.150 nan 0.000 0.452 186 V N 3.299 123.655 119.914 0.737 0.000 2.525 186 V HA 0.483 4.618 4.120 0.025 0.000 0.299 186 V C -0.200 176.407 176.094 0.856 0.000 1.034 186 V CA -0.316 62.411 62.300 0.711 0.000 0.863 186 V CB 1.619 33.695 31.823 0.421 0.000 0.999 186 V HN 0.979 nan 8.190 nan 0.000 0.423 187 M N 5.847 125.963 119.600 0.859 0.000 2.088 187 M HA 0.608 5.103 4.480 0.025 0.000 0.346 187 M C -1.489 175.062 176.300 0.418 0.000 1.111 187 M CA -0.396 55.225 55.300 0.534 0.000 1.017 187 M CB 1.254 34.182 32.600 0.548 0.000 1.568 187 M HN 0.478 nan 8.290 nan 0.000 0.445 188 V N 6.867 126.990 119.914 0.348 0.000 2.370 188 V HA 0.376 4.511 4.120 0.025 0.000 0.279 188 V C -0.078 176.180 176.094 0.272 0.000 1.029 188 V CA -0.664 61.851 62.300 0.358 0.000 0.870 188 V CB 1.351 33.490 31.823 0.527 0.000 0.984 188 V HN 0.811 nan 8.190 nan 0.000 0.451 189 L N 5.096 126.406 121.223 0.146 0.000 2.276 189 L HA 0.483 4.838 4.340 0.025 0.000 0.286 189 L C 1.593 178.478 176.870 0.025 0.000 1.061 189 L CA -0.349 54.499 54.840 0.013 0.000 0.807 189 L CB 1.172 43.140 42.059 -0.152 0.000 1.177 189 L HN 0.667 nan 8.230 nan 0.000 0.429 190 R N 3.159 123.636 120.500 -0.039 0.000 2.073 190 R HA -0.084 4.271 4.340 0.025 0.000 0.234 190 R C -0.324 175.675 176.300 -0.501 0.000 1.134 190 R CA 1.444 57.286 56.100 -0.430 0.000 0.952 190 R CB 0.184 30.052 30.300 -0.721 0.000 0.850 190 R HN 0.556 nan 8.270 nan 0.000 0.433 191 W N 0.069 121.424 121.300 0.091 0.000 2.627 191 W HA 0.441 5.116 4.660 0.024 0.000 0.339 191 W C -0.367 176.252 176.519 0.166 0.000 1.058 191 W CA -0.767 56.638 57.345 0.101 0.000 1.223 191 W CB 1.768 31.289 29.460 0.103 0.000 1.389 191 W HN 0.041 nan 8.180 nan 0.000 0.541 192 S N -1.136 114.837 115.700 0.456 0.000 2.643 192 S HA 0.187 4.672 4.470 0.025 0.000 0.270 192 S C 0.039 174.887 174.600 0.413 0.000 1.166 192 S CA -0.467 58.015 58.200 0.470 0.000 0.815 192 S CB 1.122 64.572 63.200 0.416 0.000 1.139 192 S HN 0.640 nan 8.310 nan 0.000 0.472 193 D N 0.427 121.079 120.400 0.421 0.000 2.309 193 D HA 0.060 4.715 4.640 0.025 0.000 0.212 193 D C 1.770 178.381 176.300 0.517 0.000 0.968 193 D CA 1.203 55.507 54.000 0.506 0.000 0.882 193 D CB -0.670 40.301 40.800 0.285 0.000 0.918 193 D HN 0.711 nan 8.370 nan 0.000 0.503 194 G N 0.207 109.228 108.800 0.368 0.000 2.432 194 G HA2 -0.281 3.694 3.960 0.025 0.000 0.219 194 G HA3 -0.281 3.694 3.960 0.025 0.000 0.219 194 G C 1.728 176.810 174.900 0.304 0.000 1.135 194 G CA 0.760 46.049 45.100 0.316 0.000 0.767 194 G HN 0.321 nan 8.290 nan 0.000 0.550 195 S N -0.054 115.805 115.700 0.265 0.000 2.419 195 S HA -0.114 4.370 4.470 0.025 0.000 0.235 195 S C 1.897 176.591 174.600 0.156 0.000 1.019 195 S CA 0.806 59.131 58.200 0.208 0.000 0.982 195 S CB -0.407 62.913 63.200 0.200 0.000 0.789 195 S HN 0.557 nan 8.310 nan 0.000 0.490 196 Y N 1.130 121.562 120.300 0.220 0.000 2.497 196 Y HA 0.094 4.659 4.550 0.024 0.000 0.292 196 Y C 1.561 177.577 175.900 0.193 0.000 1.137 196 Y CA 0.584 58.739 58.100 0.091 0.000 1.285 196 Y CB -0.209 38.156 38.460 -0.158 0.000 0.991 196 Y HN 0.204 nan 8.280 nan 0.000 0.556 197 L N -0.386 121.039 121.223 0.337 0.000 2.667 197 L HA 0.141 4.496 4.340 0.025 0.000 0.232 197 L C -0.001 177.016 176.870 0.244 0.000 1.138 197 L CA 0.398 55.394 54.840 0.261 0.000 0.921 197 L CB 0.088 42.306 42.059 0.264 0.000 1.180 197 L HN 0.123 nan 8.230 nan 0.000 0.487 198 E N 0.031 120.388 120.200 0.261 0.000 3.846 198 E HA 0.047 4.412 4.350 0.025 0.000 0.216 198 E C -0.531 176.185 176.600 0.194 0.000 1.092 198 E CA -0.062 56.474 56.400 0.228 0.000 1.370 198 E CB 0.524 30.347 29.700 0.205 0.000 1.227 198 E HN 0.031 nan 8.360 nan 0.000 0.442 199 D N 1.113 121.590 120.400 0.128 0.000 2.706 199 D HA 0.033 4.688 4.640 0.025 0.000 0.236 199 D C -0.257 176.044 176.300 0.003 0.000 1.231 199 D CA -0.138 53.827 54.000 -0.057 0.000 0.828 199 D CB 0.180 40.685 40.800 -0.492 0.000 1.015 199 D HN 0.057 nan 8.370 nan 0.000 0.484 200 Q N 0.510 120.404 119.800 0.156 0.000 2.392 200 Q HA 0.108 4.462 4.340 0.025 0.000 0.262 200 Q C -0.115 176.006 176.000 0.202 0.000 1.003 200 Q CA 0.066 56.026 55.803 0.261 0.000 0.888 200 Q CB 0.630 29.675 28.738 0.512 0.000 1.260 200 Q HN 0.088 nan 8.270 nan 0.000 0.435 201 D N 3.399 123.940 120.400 0.236 0.000 2.441 201 D HA 0.146 4.801 4.640 0.025 0.000 0.243 201 D C -0.791 175.654 176.300 0.240 0.000 1.257 201 D CA 0.192 54.307 54.000 0.191 0.000 1.027 201 D CB -0.425 40.489 40.800 0.191 0.000 1.084 201 D HN 0.489 nan 8.370 nan 0.000 0.514 202 M N 0.347 120.054 119.600 0.178 0.000 3.012 202 M HA 0.375 4.870 4.480 0.025 0.000 0.272 202 M C -1.297 175.067 176.300 0.106 0.000 1.187 202 M CA -1.191 54.137 55.300 0.046 0.000 0.813 202 M CB 0.924 33.499 32.600 -0.042 0.000 1.626 202 M HN -0.106 nan 8.290 nan 0.000 0.507 203 W N 2.110 123.480 121.300 0.117 0.000 2.193 203 W HA 0.294 4.969 4.660 0.025 0.000 0.338 203 W C 0.283 176.819 176.519 0.030 0.000 1.310 203 W CA 0.140 57.549 57.345 0.106 0.000 1.243 203 W CB 0.321 29.781 29.460 0.000 0.000 1.165 203 W HN 0.299 nan 8.180 nan 0.000 0.566 204 R N 4.832 125.496 120.500 0.274 0.000 2.198 204 R HA 0.458 4.813 4.340 0.025 0.000 0.339 204 R C -0.161 176.148 176.300 0.014 0.000 1.020 204 R CA -0.288 55.896 56.100 0.140 0.000 0.864 204 R CB 0.338 30.787 30.300 0.248 0.000 1.105 204 R HN 0.557 nan 8.270 nan 0.000 0.463 205 M N 0.334 119.826 119.600 -0.180 0.000 2.791 205 M HA 0.508 5.003 4.480 0.025 0.000 0.286 205 M C -0.123 175.820 176.300 -0.595 0.000 1.238 205 M CA -0.840 54.235 55.300 -0.374 0.000 0.762 205 M CB 2.500 34.887 32.600 -0.355 0.000 1.758 205 M HN 0.672 nan 8.290 nan 0.000 0.447 206 S N -1.085 114.116 115.700 -0.831 0.000 2.643 206 S HA 0.981 5.466 4.470 0.025 0.000 0.270 206 S C -0.585 173.478 174.600 -0.895 0.000 1.166 206 S CA -0.156 57.477 58.200 -0.946 0.000 0.815 206 S CB 1.942 64.411 63.200 -1.219 0.000 1.139 206 S HN 1.463 nan 8.310 nan 0.000 0.472 207 G N -0.129 108.399 108.800 -0.454 0.000 2.331 207 G HA2 0.186 4.161 3.960 0.025 0.000 0.402 207 G HA3 0.186 4.161 3.960 0.025 0.000 0.402 207 G C -1.489 173.440 174.900 0.049 0.000 1.275 207 G CA -0.632 44.518 45.100 0.083 0.000 1.003 207 G HN 1.120 nan 8.290 nan 0.000 0.500 208 I N 2.026 122.489 120.570 -0.178 0.000 2.256 208 I HA 0.291 4.475 4.170 0.025 0.000 0.294 208 I C 1.123 177.114 176.117 -0.209 0.000 1.127 208 I CA -0.251 60.819 61.300 -0.384 0.000 1.247 208 I CB -0.098 37.384 38.000 -0.862 0.000 1.460 208 I HN 0.520 nan 8.210 nan 0.000 0.511 209 F N 4.374 124.170 119.950 -0.257 0.000 2.695 209 F HA 0.468 5.009 4.527 0.024 0.000 0.303 209 F C 0.681 176.395 175.800 -0.144 0.000 1.091 209 F CA -0.533 57.350 58.000 -0.196 0.000 1.300 209 F CB 0.153 39.043 39.000 -0.185 0.000 1.071 209 F HN 0.124 nan 8.300 nan 0.000 0.578 210 R N 0.506 120.568 120.500 -0.729 0.000 2.930 210 R HA 0.244 4.599 4.340 0.025 0.000 0.257 210 R C -0.821 175.247 176.300 -0.387 0.000 1.107 210 R CA -1.183 54.586 56.100 -0.553 0.000 0.999 210 R CB 0.745 30.626 30.300 -0.699 0.000 1.209 210 R HN -0.045 nan 8.270 nan 0.000 0.486 211 D N 0.780 120.999 120.400 -0.302 0.000 2.443 211 D HA 0.082 4.737 4.640 0.025 0.000 0.234 211 D C -0.446 175.687 176.300 -0.278 0.000 1.172 211 D CA 0.450 54.310 54.000 -0.234 0.000 0.878 211 D CB 0.685 41.388 40.800 -0.161 0.000 1.204 211 D HN -0.009 nan 8.370 nan 0.000 0.453 212 V N 1.098 120.855 119.914 -0.262 0.000 2.495 212 V HA 0.560 4.695 4.120 0.025 0.000 0.298 212 V C 0.165 176.120 176.094 -0.232 0.000 1.031 212 V CA -0.522 61.560 62.300 -0.364 0.000 0.871 212 V CB 1.586 33.178 31.823 -0.385 0.000 0.988 212 V HN 0.757 nan 8.190 nan 0.000 0.432 213 S N 4.982 120.532 115.700 -0.250 0.000 2.638 213 S HA 0.826 5.311 4.470 0.025 0.000 0.274 213 S C -1.404 173.143 174.600 -0.088 0.000 1.157 213 S CA -0.898 57.228 58.200 -0.122 0.000 0.826 213 S CB 1.852 65.012 63.200 -0.067 0.000 1.139 213 S HN 0.464 nan 8.310 nan 0.000 0.474 214 L N 1.458 122.695 121.223 0.022 0.000 2.341 214 L HA 0.696 5.051 4.340 0.025 0.000 0.278 214 L C -1.377 175.673 176.870 0.299 0.000 1.005 214 L CA -0.905 54.033 54.840 0.162 0.000 0.818 214 L CB 1.730 43.905 42.059 0.193 0.000 1.259 214 L HN 0.710 nan 8.230 nan 0.000 0.418 215 L N 3.294 124.676 121.223 0.265 0.000 2.381 215 L HA 0.458 4.813 4.340 0.025 0.000 0.274 215 L C -0.715 176.194 176.870 0.065 0.000 0.988 215 L CA -0.124 54.812 54.840 0.160 0.000 0.824 215 L CB 1.393 43.505 42.059 0.089 0.000 1.263 215 L HN 0.485 nan 8.230 nan 0.000 0.410 216 H N 5.439 124.326 119.070 -0.305 0.000 2.488 216 H HA 0.494 5.065 4.556 0.025 0.000 0.322 216 H C -1.237 173.890 175.328 -0.334 0.000 1.078 216 H CA -0.511 55.232 56.048 -0.509 0.000 1.260 216 H CB 1.115 30.059 29.762 -1.364 0.000 1.425 216 H HN 0.542 nan 8.280 nan 0.000 0.471 217 K N 5.404 125.437 120.400 -0.612 0.000 2.385 217 K HA 0.376 4.711 4.320 0.025 0.000 0.248 217 K C -2.756 173.586 176.600 -0.430 0.000 0.955 217 K CA -2.030 54.030 56.287 -0.379 0.000 0.816 217 K CB 2.225 34.570 32.500 -0.259 0.000 1.250 217 K HN 0.479 nan 8.250 nan 0.000 0.434 218 P HA 0.159 nan 4.420 nan 0.000 0.274 218 P C 0.518 177.741 177.300 -0.129 0.000 1.237 218 P CA -0.192 62.830 63.100 -0.129 0.000 0.793 218 P CB 0.487 32.153 31.700 -0.057 0.000 0.977 219 T N -0.708 113.796 114.554 -0.084 0.000 2.720 219 T HA -0.058 4.307 4.350 0.025 0.000 0.268 219 T C 0.609 175.269 174.700 -0.068 0.000 1.037 219 T CA 1.657 63.716 62.100 -0.068 0.000 1.144 219 T CB -0.578 68.269 68.868 -0.034 0.000 0.864 219 T HN 0.437 nan 8.240 nan 0.000 0.444 220 T N 3.607 118.128 114.554 -0.055 0.000 2.738 220 T HA 0.466 4.831 4.350 0.025 0.000 0.298 220 T C -0.263 174.395 174.700 -0.070 0.000 0.962 220 T CA -0.633 61.428 62.100 -0.064 0.000 0.972 220 T CB 0.717 69.563 68.868 -0.036 0.000 0.928 220 T HN 0.479 nan 8.240 nan 0.000 0.474 221 Q N 2.456 122.198 119.800 -0.097 0.000 2.565 221 Q HA 0.616 4.971 4.340 0.025 0.000 0.294 221 Q C -1.232 174.704 176.000 -0.108 0.000 1.005 221 Q CA -1.181 54.554 55.803 -0.112 0.000 0.771 221 Q CB 1.298 29.949 28.738 -0.145 0.000 1.486 221 Q HN 0.454 nan 8.270 nan 0.000 0.422 222 I N 2.544 123.030 120.570 -0.140 0.000 2.436 222 I HA 0.029 4.214 4.170 0.025 0.000 0.289 222 I C 0.698 176.733 176.117 -0.137 0.000 1.083 222 I CA 0.039 61.277 61.300 -0.103 0.000 1.372 222 I CB 1.051 38.952 38.000 -0.165 0.000 1.408 222 I HN 0.867 nan 8.210 nan 0.000 0.516 223 S N 2.507 118.226 115.700 0.032 0.000 2.511 223 S HA 0.216 4.701 4.470 0.025 0.000 0.214 223 S C 0.134 174.941 174.600 0.345 0.000 0.997 223 S CA -0.297 57.991 58.200 0.146 0.000 0.908 223 S CB 0.248 63.486 63.200 0.065 0.000 0.803 223 S HN 0.713 nan 8.310 nan 0.000 0.504 224 D N -0.208 120.386 120.400 0.323 0.000 2.683 224 D HA 0.535 5.189 4.640 0.025 0.000 0.246 224 D C -1.873 174.587 176.300 0.267 0.000 1.238 224 D CA -0.732 53.447 54.000 0.298 0.000 0.759 224 D CB 1.536 42.398 40.800 0.103 0.000 1.349 224 D HN 0.195 nan 8.370 nan 0.000 0.426 225 F N -0.705 119.292 119.950 0.079 0.000 2.650 225 F HA 0.621 5.163 4.527 0.025 0.000 0.310 225 F C -1.603 174.251 175.800 0.089 0.000 1.112 225 F CA -0.781 57.202 58.000 -0.027 0.000 0.986 225 F CB 1.232 40.266 39.000 0.057 0.000 1.285 225 F HN 0.272 nan 8.300 nan 0.000 0.440 226 H N 1.691 120.821 119.070 0.099 0.000 2.589 226 H HA 0.751 5.322 4.556 0.025 0.000 0.351 226 H C -1.362 174.009 175.328 0.071 0.000 1.074 226 H CA -1.499 54.546 56.048 -0.005 0.000 1.203 226 H CB 2.648 32.395 29.762 -0.026 0.000 1.558 226 H HN 0.618 nan 8.280 nan 0.000 0.522 227 V N 2.189 122.205 119.914 0.170 0.000 2.495 227 V HA 0.675 4.810 4.120 0.025 0.000 0.298 227 V C -0.246 175.845 176.094 -0.005 0.000 1.031 227 V CA -0.579 61.772 62.300 0.086 0.000 0.871 227 V CB 1.367 33.240 31.823 0.083 0.000 0.988 227 V HN 0.929 nan 8.190 nan 0.000 0.432 228 A N 3.195 125.990 122.820 -0.041 0.000 2.401 228 A HA 0.938 5.273 4.320 0.025 0.000 0.310 228 A C -0.151 177.334 177.584 -0.165 0.000 1.075 228 A CA -0.519 51.471 52.037 -0.077 0.000 0.746 228 A CB 1.913 20.889 19.000 -0.041 0.000 1.277 228 A HN 0.931 nan 8.150 nan 0.000 0.425 229 T N 0.036 114.472 114.554 -0.196 0.000 2.890 229 T HA 0.720 5.085 4.350 0.025 0.000 0.295 229 T C -0.517 173.981 174.700 -0.337 0.000 0.993 229 T CA -0.702 61.184 62.100 -0.357 0.000 0.979 229 T CB 0.898 69.424 68.868 -0.570 0.000 0.967 229 T HN 0.710 nan 8.240 nan 0.000 0.441 230 R N 2.069 122.303 120.500 -0.442 0.000 2.778 230 R HA 0.803 5.157 4.340 0.025 0.000 0.277 230 R C -1.140 174.805 176.300 -0.592 0.000 0.977 230 R CA -0.786 55.141 56.100 -0.288 0.000 0.950 230 R CB 1.569 31.802 30.300 -0.112 0.000 1.165 230 R HN 0.531 nan 8.270 nan 0.000 0.474 231 F N 0.258 120.197 119.950 -0.019 0.000 2.611 231 F HA 0.352 4.893 4.527 0.022 0.000 0.324 231 F C 0.515 176.185 175.800 -0.217 0.000 1.061 231 F CA -1.098 56.834 58.000 -0.113 0.000 0.954 231 F CB 1.098 39.950 39.000 -0.246 0.000 1.301 231 F HN 0.554 nan 8.300 nan 0.000 0.482 232 N N -0.094 118.594 118.700 -0.019 0.000 2.364 232 N HA 0.054 4.809 4.740 0.025 0.000 0.264 232 N C 0.460 175.817 175.510 -0.255 0.000 1.263 232 N CA -0.173 52.820 53.050 -0.095 0.000 0.959 232 N CB 0.083 38.542 38.487 -0.045 0.000 1.204 232 N HN 0.673 nan 8.380 nan 0.000 0.550 233 D N -1.452 118.848 120.400 -0.166 0.000 2.182 233 D HA -0.231 4.424 4.640 0.025 0.000 0.201 233 D C 0.078 176.281 176.300 -0.162 0.000 0.986 233 D CA 1.507 55.407 54.000 -0.167 0.000 0.847 233 D CB -0.498 40.268 40.800 -0.057 0.000 0.942 233 D HN 0.730 nan 8.370 nan 0.000 0.467 234 D N -1.775 118.580 120.400 -0.075 0.000 2.538 234 D HA 0.058 4.713 4.640 0.025 0.000 0.231 234 D C 0.030 176.483 176.300 0.256 0.000 1.229 234 D CA -1.030 53.037 54.000 0.112 0.000 0.828 234 D CB -1.093 39.779 40.800 0.121 0.000 1.035 234 D HN 0.170 nan 8.370 nan 0.000 0.495 235 F N 0.428 120.435 119.950 0.095 0.000 3.034 235 F HA -0.288 4.253 4.527 0.023 0.000 0.286 235 F C 1.600 177.488 175.800 0.147 0.000 0.804 235 F CA 0.833 58.905 58.000 0.119 0.000 1.161 235 F CB -2.490 36.471 39.000 -0.066 0.000 1.317 235 F HN 0.236 nan 8.300 nan 0.000 0.453 236 S N -1.144 114.672 115.700 0.194 0.000 2.548 236 S HA 0.272 4.757 4.470 0.025 0.000 0.215 236 S C 0.655 175.313 174.600 0.098 0.000 0.976 236 S CA -0.213 58.070 58.200 0.138 0.000 0.908 236 S CB 0.474 63.730 63.200 0.092 0.000 0.781 236 S HN 0.345 nan 8.310 nan 0.000 0.519 237 R N 0.500 121.064 120.500 0.107 0.000 2.673 237 R HA 0.824 5.179 4.340 0.025 0.000 0.281 237 R C -1.275 175.052 176.300 0.046 0.000 0.991 237 R CA -0.371 55.755 56.100 0.043 0.000 0.896 237 R CB 2.053 32.356 30.300 0.005 0.000 1.201 237 R HN 0.229 nan 8.270 nan 0.000 0.457 238 A N 1.393 124.175 122.820 -0.063 0.000 2.556 238 A HA 0.711 5.046 4.320 0.025 0.000 0.294 238 A C -1.199 176.294 177.584 -0.151 0.000 1.091 238 A CA -0.678 51.232 52.037 -0.213 0.000 0.704 238 A CB 2.157 20.983 19.000 -0.291 0.000 1.300 238 A HN 0.320 nan 8.150 nan 0.000 0.406 239 V N 1.523 121.325 119.914 -0.186 0.000 2.409 239 V HA 0.423 4.558 4.120 0.025 0.000 0.291 239 V C -0.420 175.611 176.094 -0.105 0.000 1.020 239 V CA -0.346 61.888 62.300 -0.111 0.000 0.848 239 V CB 1.319 33.082 31.823 -0.100 0.000 0.990 239 V HN 0.784 nan 8.190 nan 0.000 0.430 240 L N 4.638 125.839 121.223 -0.037 0.000 2.265 240 L HA 0.566 4.920 4.340 0.025 0.000 0.288 240 L C 0.070 176.903 176.870 -0.061 0.000 1.058 240 L CA 0.121 54.921 54.840 -0.066 0.000 0.809 240 L CB 0.968 43.024 42.059 -0.004 0.000 1.179 240 L HN 0.790 nan 8.230 nan 0.000 0.429 241 E N 4.404 124.564 120.200 -0.067 0.000 2.165 241 E HA 0.653 5.018 4.350 0.025 0.000 0.266 241 E C -1.409 175.187 176.600 -0.005 0.000 0.889 241 E CA -0.764 55.615 56.400 -0.035 0.000 0.756 241 E CB 1.636 31.315 29.700 -0.035 0.000 1.131 241 E HN 0.703 nan 8.360 nan 0.000 0.411 242 A N 4.658 127.483 122.820 0.007 0.000 2.311 242 A HA 0.319 4.654 4.320 0.025 0.000 0.306 242 A C -0.657 176.948 177.584 0.034 0.000 1.189 242 A CA -0.666 51.401 52.037 0.049 0.000 0.791 242 A CB 1.063 20.091 19.000 0.046 0.000 1.172 242 A HN 0.739 nan 8.150 nan 0.000 0.481 243 E N 2.411 122.636 120.200 0.041 0.000 2.197 243 E HA 0.562 4.927 4.350 0.025 0.000 0.281 243 E C -1.317 175.266 176.600 -0.028 0.000 0.995 243 E CA -0.354 56.034 56.400 -0.020 0.000 0.808 243 E CB 1.176 30.838 29.700 -0.064 0.000 1.093 243 E HN 0.386 nan 8.360 nan 0.000 0.394 244 V N 4.275 124.190 119.914 0.003 0.000 2.656 244 V HA 0.315 4.450 4.120 0.025 0.000 0.307 244 V C -0.639 175.545 176.094 0.151 0.000 1.051 244 V CA -0.808 61.542 62.300 0.084 0.000 0.893 244 V CB 1.873 33.739 31.823 0.072 0.000 0.999 244 V HN 0.764 nan 8.190 nan 0.000 0.426 245 Q N 3.471 123.351 119.800 0.132 0.000 2.377 245 Q HA 0.854 5.209 4.340 0.025 0.000 0.271 245 Q C -0.836 175.204 176.000 0.067 0.000 1.077 245 Q CA -0.825 55.035 55.803 0.095 0.000 0.820 245 Q CB 2.696 31.420 28.738 -0.024 0.000 1.347 245 Q HN 0.821 nan 8.270 nan 0.000 0.444 246 M N -1.017 118.504 119.600 -0.131 0.000 2.716 246 M HA 0.782 5.276 4.480 0.025 0.000 0.307 246 M C -1.354 174.821 176.300 -0.207 0.000 1.223 246 M CA -0.511 54.646 55.300 -0.238 0.000 0.871 246 M CB 1.582 33.803 32.600 -0.633 0.000 1.739 246 M HN 0.497 nan 8.290 nan 0.000 0.475 247 C N 0.913 120.117 119.300 -0.160 0.000 2.561 247 C HA 1.039 5.514 4.460 0.025 0.000 0.319 247 C C 0.559 175.468 174.990 -0.134 0.000 1.198 247 C CA 0.549 59.494 59.018 -0.121 0.000 1.665 247 C CB 0.943 28.643 27.740 -0.067 0.000 2.258 247 C HN 1.379 nan 8.230 nan 0.000 0.493 248 G N 1.885 110.616 108.800 -0.114 0.000 2.373 248 G HA2 0.098 4.073 3.960 0.025 0.000 0.634 248 G HA3 0.098 4.073 3.960 0.025 0.000 0.634 248 G C -1.205 173.625 174.900 -0.118 0.000 1.267 248 G CA -0.540 44.498 45.100 -0.103 0.000 1.008 248 G HN 0.935 nan 8.290 nan 0.000 0.497 249 E N -0.200 119.940 120.200 -0.100 0.000 2.229 249 E HA 0.518 4.883 4.350 0.025 0.000 0.283 249 E C 0.439 176.947 176.600 -0.153 0.000 1.030 249 E CA -0.643 55.695 56.400 -0.104 0.000 0.836 249 E CB 0.488 30.147 29.700 -0.069 0.000 1.068 249 E HN 0.505 nan 8.360 nan 0.000 0.401 250 L N 4.874 125.998 121.223 -0.165 0.000 2.426 250 L HA 0.322 4.677 4.340 0.025 0.000 0.271 250 L C 0.417 177.163 176.870 -0.208 0.000 1.169 250 L CA -0.085 54.636 54.840 -0.198 0.000 0.836 250 L CB 0.445 42.410 42.059 -0.156 0.000 1.112 250 L HN 0.554 nan 8.230 nan 0.000 0.465 251 R N 1.426 121.750 120.500 -0.293 0.000 2.698 251 R HA 0.195 4.550 4.340 0.025 0.000 0.275 251 R C -0.396 175.661 176.300 -0.405 0.000 1.001 251 R CA -0.799 55.025 56.100 -0.460 0.000 0.896 251 R CB 1.495 31.198 30.300 -0.995 0.000 1.218 251 R HN 0.503 nan 8.270 nan 0.000 0.462 252 D N 0.923 121.155 120.400 -0.280 0.000 2.310 252 D HA -0.108 4.547 4.640 0.025 0.000 0.212 252 D C 1.449 177.705 176.300 -0.073 0.000 0.965 252 D CA 1.361 55.290 54.000 -0.120 0.000 0.879 252 D CB 0.153 40.933 40.800 -0.033 0.000 0.921 252 D HN 0.549 nan 8.370 nan 0.000 0.510 253 Y N -0.163 120.150 120.300 0.021 0.000 2.529 253 Y HA 0.259 4.824 4.550 0.025 0.000 0.290 253 Y C 0.683 176.585 175.900 0.004 0.000 1.177 253 Y CA -0.489 57.619 58.100 0.013 0.000 1.305 253 Y CB -1.009 37.460 38.460 0.015 0.000 1.047 253 Y HN -0.203 nan 8.280 nan 0.000 0.522 254 L N 2.402 123.584 121.223 -0.068 0.000 2.439 254 L HA 0.324 4.679 4.340 0.025 0.000 0.269 254 L C 0.260 177.107 176.870 -0.039 0.000 1.179 254 L CA -0.143 54.721 54.840 0.039 0.000 0.828 254 L CB 0.460 42.572 42.059 0.089 0.000 1.106 254 L HN 0.134 nan 8.230 nan 0.000 0.467 255 R N 1.498 121.863 120.500 -0.226 0.000 2.774 255 R HA 0.688 5.043 4.340 0.025 0.000 0.272 255 R C -1.545 174.398 176.300 -0.595 0.000 1.000 255 R CA -0.813 54.998 56.100 -0.482 0.000 0.906 255 R CB 2.187 32.008 30.300 -0.799 0.000 1.227 255 R HN 0.270 nan 8.270 nan 0.000 0.468 256 V N 0.984 120.596 119.914 -0.504 0.000 2.588 256 V HA 0.473 4.608 4.120 0.025 0.000 0.304 256 V C -0.376 175.667 176.094 -0.084 0.000 1.042 256 V CA -0.558 61.556 62.300 -0.310 0.000 0.877 256 V CB 2.310 33.885 31.823 -0.414 0.000 0.996 256 V HN 0.711 nan 8.190 nan 0.000 0.425 257 T N 4.197 118.821 114.554 0.116 0.000 2.797 257 T HA 0.628 4.993 4.350 0.025 0.000 0.279 257 T C -0.599 174.120 174.700 0.031 0.000 0.991 257 T CA -0.361 61.806 62.100 0.112 0.000 0.979 257 T CB 1.673 70.634 68.868 0.156 0.000 0.943 257 T HN 0.338 nan 8.240 nan 0.000 0.444 258 V N 3.811 123.725 119.914 -0.001 0.000 2.448 258 V HA 0.657 4.792 4.120 0.025 0.000 0.295 258 V C 0.000 176.099 176.094 0.008 0.000 1.025 258 V CA -0.736 61.561 62.300 -0.006 0.000 0.859 258 V CB 1.773 33.580 31.823 -0.026 0.000 0.988 258 V HN 1.048 nan 8.190 nan 0.000 0.431 259 S N 5.463 121.199 115.700 0.059 0.000 2.532 259 S HA 0.877 5.361 4.470 0.025 0.000 0.301 259 S C -1.127 173.510 174.600 0.061 0.000 1.083 259 S CA -0.761 57.459 58.200 0.033 0.000 1.025 259 S CB 2.131 65.410 63.200 0.132 0.000 1.056 259 S HN 0.542 nan 8.310 nan 0.000 0.494 260 L N 2.198 123.323 121.223 -0.163 0.000 2.362 260 L HA 0.805 5.159 4.340 0.025 0.000 0.275 260 L C -2.023 174.705 176.870 -0.237 0.000 0.998 260 L CA -0.290 54.540 54.840 -0.016 0.000 0.820 260 L CB 1.153 43.218 42.059 0.011 0.000 1.270 260 L HN 0.913 nan 8.230 nan 0.000 0.415 261 W N 3.362 124.773 121.300 0.185 0.000 2.844 261 W HA 0.640 5.314 4.660 0.025 0.000 0.340 261 W C -0.787 175.831 176.519 0.166 0.000 1.093 261 W CA -0.527 56.901 57.345 0.138 0.000 1.212 261 W CB 1.648 31.139 29.460 0.052 0.000 1.422 261 W HN 0.385 nan 8.180 nan 0.000 0.515 262 Q N 2.213 122.173 119.800 0.268 0.000 2.454 262 Q HA 0.552 4.907 4.340 0.025 0.000 0.255 262 Q C 0.438 176.475 176.000 0.061 0.000 1.034 262 Q CA 0.289 56.087 55.803 -0.008 0.000 0.736 262 Q CB 0.856 29.481 28.738 -0.188 0.000 1.210 262 Q HN 0.786 nan 8.270 nan 0.000 0.500 263 G N 3.181 112.015 108.800 0.057 0.000 2.556 263 G HA2 -0.356 3.619 3.960 0.025 0.000 0.283 263 G HA3 -0.356 3.619 3.960 0.025 0.000 0.283 263 G C 0.615 175.598 174.900 0.137 0.000 1.177 263 G CA 0.311 45.444 45.100 0.056 0.000 0.978 263 G HN 0.600 nan 8.290 nan 0.000 0.554 264 E N 0.754 121.026 120.200 0.120 0.000 2.435 264 E HA 0.096 4.461 4.350 0.025 0.000 0.195 264 E C 0.654 177.462 176.600 0.347 0.000 1.029 264 E CA 0.746 57.245 56.400 0.164 0.000 0.865 264 E CB -0.018 29.724 29.700 0.070 0.000 0.833 264 E HN 0.412 nan 8.360 nan 0.000 0.510 265 T N 1.227 115.944 114.554 0.273 0.000 2.817 265 T HA 0.086 4.451 4.350 0.025 0.000 0.293 265 T C -0.078 174.680 174.700 0.098 0.000 0.964 265 T CA -0.176 62.032 62.100 0.179 0.000 1.085 265 T CB 1.474 70.384 68.868 0.070 0.000 0.921 265 T HN 0.044 nan 8.240 nan 0.000 0.502 266 Q N 3.082 122.734 119.800 -0.246 0.000 2.295 266 Q HA 0.251 4.606 4.340 0.025 0.000 0.259 266 Q C 0.391 176.115 176.000 -0.460 0.000 0.976 266 Q CA -0.415 54.837 55.803 -0.919 0.000 0.923 266 Q CB 0.724 28.718 28.738 -1.239 0.000 1.185 266 Q HN 0.548 nan 8.270 nan 0.000 0.410 267 V N 2.962 122.645 119.914 -0.385 0.000 2.599 267 V HA 0.236 4.371 4.120 0.025 0.000 0.245 267 V C 0.413 176.384 176.094 -0.205 0.000 1.046 267 V CA 1.270 63.462 62.300 -0.180 0.000 1.065 267 V CB 0.119 31.933 31.823 -0.017 0.000 0.703 267 V HN 0.812 nan 8.190 nan 0.000 0.464 268 A N -1.309 121.348 122.820 -0.271 0.000 2.601 268 A HA 0.767 5.101 4.320 0.025 0.000 0.291 268 A C -0.816 176.640 177.584 -0.213 0.000 1.075 268 A CA 0.003 51.922 52.037 -0.197 0.000 0.671 268 A CB 1.855 20.778 19.000 -0.129 0.000 1.277 268 A HN 0.062 nan 8.150 nan 0.000 0.417 269 S N -0.979 114.634 115.700 -0.145 0.000 2.535 269 S HA 0.774 5.259 4.470 0.025 0.000 0.272 269 S C -0.588 173.972 174.600 -0.068 0.000 1.149 269 S CA 0.240 58.376 58.200 -0.108 0.000 0.888 269 S CB 1.602 64.734 63.200 -0.112 0.000 1.110 269 S HN 2.327 nan 8.310 nan 0.000 0.463 270 G N 1.714 110.488 108.800 -0.044 0.000 2.706 270 G HA2 0.655 4.630 3.960 0.025 0.000 0.297 270 G HA3 0.655 4.630 3.960 0.025 0.000 0.297 270 G C -1.366 173.520 174.900 -0.022 0.000 1.403 270 G CA -0.397 44.680 45.100 -0.037 0.000 0.954 270 G HN 0.697 nan 8.290 nan 0.000 0.500 271 T N -0.202 114.341 114.554 -0.019 0.000 2.900 271 T HA 0.858 5.222 4.350 0.025 0.000 0.295 271 T C -0.404 174.265 174.700 -0.052 0.000 1.044 271 T CA -0.019 62.078 62.100 -0.006 0.000 0.995 271 T CB 1.853 70.752 68.868 0.052 0.000 1.072 271 T HN 1.555 nan 8.240 nan 0.000 0.473 272 A N 3.278 126.031 122.820 -0.110 0.000 2.604 272 A HA 0.885 5.219 4.320 0.025 0.000 0.295 272 A C -3.107 174.336 177.584 -0.236 0.000 1.067 272 A CA -1.542 50.409 52.037 -0.143 0.000 0.683 272 A CB 1.399 20.314 19.000 -0.142 0.000 1.281 272 A HN 0.529 nan 8.150 nan 0.000 0.407 273 P HA 0.537 nan 4.420 nan 0.000 0.278 273 P C -0.578 176.585 177.300 -0.228 0.000 1.266 273 P CA -0.328 62.665 63.100 -0.179 0.000 0.807 273 P CB 0.391 32.055 31.700 -0.060 0.000 1.094 274 F N -0.029 119.883 119.950 -0.063 0.000 2.496 274 F HA 0.449 4.991 4.527 0.024 0.000 0.344 274 F C 1.509 177.293 175.800 -0.027 0.000 1.155 274 F CA 1.626 59.599 58.000 -0.046 0.000 1.302 274 F CB 0.167 39.136 39.000 -0.053 0.000 1.159 274 F HN 0.576 nan 8.300 nan 0.000 0.595 275 G N 1.721 110.638 108.800 0.194 0.000 2.648 275 G HA2 0.362 4.336 3.960 0.025 0.000 0.317 275 G HA3 0.362 4.336 3.960 0.025 0.000 0.317 275 G C -0.491 174.463 174.900 0.090 0.000 1.216 275 G CA -0.724 44.449 45.100 0.121 0.000 1.210 275 G HN 1.035 nan 8.290 nan 0.000 0.583 276 G N 0.614 109.489 108.800 0.124 0.000 2.588 276 G HA2 0.693 4.667 3.960 0.025 0.000 0.281 276 G HA3 0.693 4.667 3.960 0.025 0.000 0.281 276 G C 0.402 175.349 174.900 0.077 0.000 1.236 276 G CA -0.100 45.063 45.100 0.105 0.000 0.969 276 G HN 0.991 nan 8.290 nan 0.000 0.504 277 E N -0.887 119.351 120.200 0.064 0.000 2.410 277 E HA 0.255 4.620 4.350 0.025 0.000 0.255 277 E C -0.089 176.539 176.600 0.046 0.000 1.194 277 E CA -0.524 55.902 56.400 0.043 0.000 0.955 277 E CB 0.953 30.674 29.700 0.035 0.000 0.988 277 E HN 0.308 nan 8.360 nan 0.000 0.461 278 I N 1.649 122.234 120.570 0.024 0.000 2.683 278 I HA -0.127 4.058 4.170 0.025 0.000 0.286 278 I C 0.676 176.805 176.117 0.021 0.000 1.175 278 I CA 0.145 61.452 61.300 0.011 0.000 1.429 278 I CB 0.316 38.318 38.000 0.003 0.000 1.371 278 I HN 0.575 nan 8.210 nan 0.000 0.569 279 I N 3.814 124.392 120.570 0.012 0.000 3.039 279 I HA 0.094 4.279 4.170 0.025 0.000 0.270 279 I C 0.503 176.624 176.117 0.006 0.000 1.150 279 I CA 0.959 62.276 61.300 0.028 0.000 1.448 279 I CB -0.804 37.218 38.000 0.038 0.000 1.197 279 I HN 0.679 nan 8.210 nan 0.000 0.450 280 D N -1.318 119.071 120.400 -0.019 0.000 2.921 280 D HA 0.122 4.776 4.640 0.025 0.000 0.329 280 D C 0.342 176.626 176.300 -0.026 0.000 1.293 280 D CA -0.417 53.572 54.000 -0.018 0.000 0.964 280 D CB 0.529 41.318 40.800 -0.019 0.000 1.435 280 D HN -0.265 nan 8.370 nan 0.000 0.548 281 E N -1.037 119.150 120.200 -0.021 0.000 2.331 281 E HA -0.060 4.305 4.350 0.025 0.000 0.199 281 E C 1.332 177.914 176.600 -0.030 0.000 1.008 281 E CA 0.975 57.363 56.400 -0.021 0.000 0.843 281 E CB -0.028 29.662 29.700 -0.016 0.000 0.761 281 E HN 0.210 nan 8.360 nan 0.000 0.507 282 R N -0.545 119.929 120.500 -0.044 0.000 2.334 282 R HA 0.287 4.642 4.340 0.025 0.000 0.216 282 R C 0.870 177.129 176.300 -0.069 0.000 0.905 282 R CA 0.722 56.789 56.100 -0.056 0.000 1.064 282 R CB 0.699 30.959 30.300 -0.067 0.000 1.046 282 R HN 0.214 nan 8.270 nan 0.000 0.508 283 G N -0.652 108.108 108.800 -0.066 0.000 2.358 283 G HA2 -0.078 3.897 3.960 0.025 0.000 0.198 283 G HA3 -0.078 3.897 3.960 0.025 0.000 0.198 283 G C -0.306 174.541 174.900 -0.088 0.000 1.220 283 G CA -0.610 44.450 45.100 -0.065 0.000 1.187 283 G HN 0.461 nan 8.290 nan 0.000 0.544 284 G N -1.971 106.773 108.800 -0.093 0.000 3.105 284 G HA2 0.642 4.617 3.960 0.025 0.000 0.277 284 G HA3 0.642 4.617 3.960 0.025 0.000 0.277 284 G C -1.591 173.211 174.900 -0.163 0.000 1.375 284 G CA -0.732 44.315 45.100 -0.088 0.000 0.962 284 G HN 0.765 nan 8.290 nan 0.000 0.541 285 Y N 1.089 121.400 120.300 0.019 0.000 2.504 285 Y HA 0.413 4.977 4.550 0.024 0.000 0.351 285 Y C 1.486 177.405 175.900 0.032 0.000 0.988 285 Y CA 0.178 58.291 58.100 0.021 0.000 1.239 285 Y CB 1.634 40.111 38.460 0.029 0.000 1.128 285 Y HN 0.548 nan 8.280 nan 0.000 0.525 286 A N 1.824 124.707 122.820 0.106 0.000 2.121 286 A HA -0.148 4.187 4.320 0.025 0.000 0.218 286 A C 1.378 179.021 177.584 0.099 0.000 1.154 286 A CA 1.441 53.528 52.037 0.083 0.000 0.679 286 A CB -0.287 18.723 19.000 0.017 0.000 0.795 286 A HN 0.789 nan 8.150 nan 0.000 0.458 287 D N -0.906 119.547 120.400 0.089 0.000 2.388 287 D HA 0.138 4.793 4.640 0.025 0.000 0.221 287 D C 0.469 176.800 176.300 0.051 0.000 1.133 287 D CA -0.062 53.895 54.000 -0.073 0.000 0.831 287 D CB -0.010 40.735 40.800 -0.092 0.000 0.962 287 D HN 0.406 nan 8.370 nan 0.000 0.502 288 R N -0.821 119.860 120.500 0.302 0.000 2.836 288 R HA 0.758 5.112 4.340 0.025 0.000 0.269 288 R C -1.578 174.911 176.300 0.315 0.000 1.010 288 R CA -1.152 55.140 56.100 0.320 0.000 0.930 288 R CB 2.999 33.352 30.300 0.087 0.000 1.218 288 R HN -0.025 nan 8.270 nan 0.000 0.473 289 V N 0.187 120.184 119.914 0.138 0.000 3.077 289 V HA 0.506 4.641 4.120 0.025 0.000 0.299 289 V C -1.558 174.509 176.094 -0.045 0.000 1.276 289 V CA -0.299 61.986 62.300 -0.026 0.000 0.993 289 V CB 2.804 34.483 31.823 -0.240 0.000 1.076 289 V HN 0.820 nan 8.190 nan 0.000 0.434 290 T N 7.046 121.575 114.554 -0.042 0.000 2.792 290 T HA 0.612 4.977 4.350 0.025 0.000 0.280 290 T C -0.990 173.681 174.700 -0.048 0.000 0.990 290 T CA -0.415 61.665 62.100 -0.034 0.000 0.960 290 T CB 1.118 69.978 68.868 -0.013 0.000 0.939 290 T HN 0.454 nan 8.240 nan 0.000 0.439 291 L N 3.556 124.750 121.223 -0.047 0.000 2.322 291 L HA 0.584 4.939 4.340 0.025 0.000 0.279 291 L C 0.415 177.263 176.870 -0.036 0.000 1.036 291 L CA -0.492 54.319 54.840 -0.049 0.000 0.807 291 L CB 1.447 43.474 42.059 -0.053 0.000 1.226 291 L HN 0.546 nan 8.230 nan 0.000 0.433 292 R N 4.238 124.715 120.500 -0.038 0.000 2.439 292 R HA 0.715 5.070 4.340 0.025 0.000 0.310 292 R C -1.193 175.082 176.300 -0.041 0.000 0.955 292 R CA -0.720 55.357 56.100 -0.038 0.000 0.853 292 R CB 2.074 32.352 30.300 -0.037 0.000 1.171 292 R HN 0.467 nan 8.270 nan 0.000 0.449 293 L N 2.689 123.888 121.223 -0.042 0.000 2.362 293 L HA 0.446 4.800 4.340 0.025 0.000 0.275 293 L C -0.258 176.581 176.870 -0.051 0.000 0.998 293 L CA -1.111 53.702 54.840 -0.047 0.000 0.820 293 L CB 1.849 43.882 42.059 -0.043 0.000 1.270 293 L HN 0.452 nan 8.230 nan 0.000 0.415 294 N N 1.945 120.609 118.700 -0.060 0.000 2.518 294 N HA 0.467 5.222 4.740 0.025 0.000 0.283 294 N C -0.897 174.557 175.510 -0.093 0.000 1.119 294 N CA -0.235 52.773 53.050 -0.069 0.000 0.983 294 N CB 2.614 41.064 38.487 -0.061 0.000 1.139 294 N HN 0.193 nan 8.380 nan 0.000 0.465 295 V N 1.970 121.812 119.914 -0.120 0.000 2.569 295 V HA 0.187 4.322 4.120 0.025 0.000 0.301 295 V C -0.303 175.698 176.094 -0.156 0.000 1.044 295 V CA -0.847 61.341 62.300 -0.187 0.000 0.874 295 V CB 1.988 33.584 31.823 -0.377 0.000 1.002 295 V HN 0.472 nan 8.190 nan 0.000 0.424 296 E N 2.855 122.989 120.200 -0.109 0.000 2.249 296 E HA 0.331 4.695 4.350 0.025 0.000 0.280 296 E C 0.225 176.794 176.600 -0.051 0.000 1.016 296 E CA -0.437 55.927 56.400 -0.061 0.000 0.830 296 E CB 0.726 30.403 29.700 -0.039 0.000 1.081 296 E HN 0.754 nan 8.360 nan 0.000 0.395 297 N N 1.141 119.835 118.700 -0.010 0.000 2.705 297 N HA -0.151 4.604 4.740 0.025 0.000 0.255 297 N C -2.453 173.059 175.510 0.004 0.000 1.008 297 N CA 0.091 53.153 53.050 0.020 0.000 0.742 297 N CB -1.061 37.439 38.487 0.022 0.000 0.906 297 N HN 0.317 nan 8.380 nan 0.000 0.541 298 P HA -0.011 nan 4.420 nan 0.000 0.269 298 P C -0.393 176.951 177.300 0.074 0.000 1.209 298 P CA 0.382 63.395 63.100 -0.144 0.000 0.776 298 P CB 0.714 32.144 31.700 -0.451 0.000 0.876 299 K N 2.484 123.012 120.400 0.214 0.000 2.316 299 K HA 0.274 4.609 4.320 0.025 0.000 0.289 299 K C 0.212 176.990 176.600 0.297 0.000 1.070 299 K CA -0.364 56.041 56.287 0.197 0.000 0.928 299 K CB 0.120 32.694 32.500 0.123 0.000 1.039 299 K HN 0.411 nan 8.250 nan 0.000 0.480 300 L N 2.761 124.086 121.223 0.170 0.000 2.417 300 L HA 0.263 4.618 4.340 0.025 0.000 0.268 300 L C -0.004 176.955 176.870 0.150 0.000 1.158 300 L CA -0.670 54.267 54.840 0.162 0.000 0.819 300 L CB 0.377 42.370 42.059 -0.109 0.000 1.112 300 L HN 0.618 nan 8.230 nan 0.000 0.458 301 W N 3.353 124.687 121.300 0.057 0.000 2.438 301 W HA 0.501 5.175 4.660 0.024 0.000 0.324 301 W C -0.043 176.437 176.519 -0.066 0.000 1.119 301 W CA 0.058 57.423 57.345 0.033 0.000 1.221 301 W CB 1.399 30.929 29.460 0.116 0.000 1.253 301 W HN 0.635 nan 8.180 nan 0.000 0.555 302 S N 2.719 117.900 115.700 -0.864 0.000 2.672 302 S HA 0.639 5.124 4.470 0.025 0.000 0.271 302 S C 0.043 173.872 174.600 -1.285 0.000 1.171 302 S CA -0.347 57.387 58.200 -0.777 0.000 0.817 302 S CB 1.049 64.082 63.200 -0.278 0.000 1.150 302 S HN 1.010 nan 8.310 nan 0.000 0.478 303 A N 0.318 122.566 122.820 -0.953 0.000 2.066 303 A HA 0.104 4.439 4.320 0.025 0.000 0.218 303 A C 1.752 179.033 177.584 -0.505 0.000 1.157 303 A CA 1.244 52.732 52.037 -0.916 0.000 0.670 303 A CB -0.912 17.405 19.000 -1.139 0.000 0.804 303 A HN 0.844 nan 8.150 nan 0.000 0.453 304 E N -0.632 119.405 120.200 -0.271 0.000 2.046 304 E HA 0.025 4.390 4.350 0.025 0.000 0.190 304 E C -0.215 176.252 176.600 -0.221 0.000 0.982 304 E CA 0.730 57.023 56.400 -0.178 0.000 0.800 304 E CB -0.007 29.720 29.700 0.045 0.000 0.756 304 E HN 0.586 nan 8.360 nan 0.000 0.449 305 I N 1.717 122.137 120.570 -0.250 0.000 2.517 305 I HA 0.161 4.345 4.170 0.025 0.000 0.280 305 I C -2.525 173.382 176.117 -0.350 0.000 1.061 305 I CA -1.934 59.236 61.300 -0.217 0.000 1.091 305 I CB 2.380 40.304 38.000 -0.128 0.000 1.205 305 I HN -0.221 nan 8.210 nan 0.000 0.459 306 P HA 0.112 nan 4.420 nan 0.000 0.220 306 P C -0.601 176.682 177.300 -0.028 0.000 1.806 306 P CA -0.358 62.451 63.100 -0.485 0.000 0.976 306 P CB -0.253 31.309 31.700 -0.229 0.000 1.952 307 N N 1.707 120.418 118.700 0.018 0.000 2.411 307 N HA 0.067 4.822 4.740 0.025 0.000 0.261 307 N C 0.082 175.793 175.510 0.335 0.000 1.248 307 N CA 0.660 53.790 53.050 0.133 0.000 0.885 307 N CB 0.656 39.225 38.487 0.136 0.000 1.062 307 N HN 0.302 nan 8.380 nan 0.000 0.471 308 L N 2.376 123.724 121.223 0.209 0.000 2.371 308 L HA 0.486 4.841 4.340 0.025 0.000 0.262 308 L C -0.762 176.186 176.870 0.130 0.000 1.006 308 L CA -0.873 54.142 54.840 0.293 0.000 0.818 308 L CB 1.309 43.511 42.059 0.239 0.000 1.354 308 L HN 0.379 nan 8.230 nan 0.000 0.415 309 Y N 0.142 120.593 120.300 0.252 0.000 2.650 309 Y HA 0.672 5.237 4.550 0.025 0.000 0.331 309 Y C -0.224 175.799 175.900 0.205 0.000 1.082 309 Y CA -0.841 57.408 58.100 0.247 0.000 1.171 309 Y CB 1.637 40.304 38.460 0.344 0.000 1.326 309 Y HN 0.370 nan 8.280 nan 0.000 0.513 310 R N 0.934 121.674 120.500 0.400 0.000 2.480 310 R HA 0.798 5.152 4.340 0.025 0.000 0.306 310 R C -1.664 174.833 176.300 0.329 0.000 0.958 310 R CA -0.538 55.730 56.100 0.281 0.000 0.861 310 R CB 1.150 31.555 30.300 0.175 0.000 1.171 310 R HN 0.741 nan 8.270 nan 0.000 0.445 311 A N 3.860 126.814 122.820 0.223 0.000 2.276 311 A HA 0.625 4.960 4.320 0.025 0.000 0.316 311 A C -1.018 176.626 177.584 0.100 0.000 1.229 311 A CA -0.616 51.528 52.037 0.177 0.000 0.851 311 A CB 1.176 20.248 19.000 0.121 0.000 1.165 311 A HN 0.480 nan 8.150 nan 0.000 0.513 312 V N 3.438 123.418 119.914 0.110 0.000 2.448 312 V HA 0.398 4.533 4.120 0.025 0.000 0.295 312 V C -0.394 175.676 176.094 -0.040 0.000 1.025 312 V CA -0.517 61.787 62.300 0.007 0.000 0.859 312 V CB 1.672 33.513 31.823 0.029 0.000 0.988 312 V HN 0.619 nan 8.190 nan 0.000 0.431 313 V N 4.742 124.561 119.914 -0.158 0.000 2.334 313 V HA 0.439 4.574 4.120 0.025 0.000 0.281 313 V C -0.071 175.967 176.094 -0.094 0.000 1.016 313 V CA -0.534 61.657 62.300 -0.182 0.000 0.832 313 V CB 1.322 32.881 31.823 -0.439 0.000 0.999 313 V HN 0.919 nan 8.190 nan 0.000 0.439 314 E N 3.670 123.868 120.200 -0.002 0.000 2.171 314 E HA 0.541 4.906 4.350 0.025 0.000 0.271 314 E C -1.098 175.588 176.600 0.144 0.000 0.916 314 E CA -0.886 55.557 56.400 0.072 0.000 0.774 314 E CB 2.638 32.408 29.700 0.116 0.000 1.128 314 E HN 0.489 nan 8.360 nan 0.000 0.403 315 L N 4.318 125.608 121.223 0.112 0.000 2.282 315 L HA 0.433 4.788 4.340 0.025 0.000 0.288 315 L C -0.960 176.009 176.870 0.166 0.000 1.033 315 L CA 0.150 55.047 54.840 0.095 0.000 0.807 315 L CB 0.266 42.372 42.059 0.079 0.000 1.209 315 L HN 0.699 nan 8.230 nan 0.000 0.423 316 H N 0.166 119.273 119.070 0.063 0.000 2.928 316 H HA 0.791 5.362 4.556 0.025 0.000 0.285 316 H C -0.846 174.546 175.328 0.108 0.000 1.438 316 H CA -0.500 55.587 56.048 0.066 0.000 1.176 316 H CB 0.740 30.523 29.762 0.034 0.000 1.864 316 H HN 0.523 nan 8.280 nan 0.000 0.567 317 T N -2.317 112.386 114.554 0.248 0.000 2.944 317 T HA 0.572 4.937 4.350 0.025 0.000 0.284 317 T C 1.395 176.239 174.700 0.239 0.000 1.010 317 T CA -0.411 61.817 62.100 0.213 0.000 1.025 317 T CB 1.605 70.552 68.868 0.132 0.000 1.079 317 T HN 0.945 nan 8.240 nan 0.000 0.516 318 A N 1.383 124.312 122.820 0.182 0.000 1.948 318 A HA -0.139 4.195 4.320 0.025 0.000 0.220 318 A C 1.895 179.548 177.584 0.115 0.000 1.177 318 A CA 2.013 54.138 52.037 0.146 0.000 0.636 318 A CB -1.117 17.958 19.000 0.124 0.000 0.815 318 A HN 0.995 nan 8.150 nan 0.000 0.449 319 D N -2.211 118.231 120.400 0.069 0.000 2.363 319 D HA 0.238 4.893 4.640 0.025 0.000 0.226 319 D C 1.165 177.491 176.300 0.042 0.000 1.020 319 D CA 1.172 55.192 54.000 0.034 0.000 0.892 319 D CB -0.518 40.275 40.800 -0.012 0.000 0.900 319 D HN 0.891 nan 8.370 nan 0.000 0.531 320 G N -0.856 107.999 108.800 0.092 0.000 2.184 320 G HA2 -0.215 3.760 3.960 0.025 0.000 0.206 320 G HA3 -0.215 3.760 3.960 0.025 0.000 0.206 320 G C 0.261 175.180 174.900 0.030 0.000 0.995 320 G CA 0.076 45.200 45.100 0.040 0.000 0.651 320 G HN 0.414 nan 8.290 nan 0.000 0.511 321 T N 2.066 116.657 114.554 0.062 0.000 2.814 321 T HA 0.479 4.844 4.350 0.025 0.000 0.297 321 T C 0.358 175.114 174.700 0.094 0.000 0.956 321 T CA -0.096 62.033 62.100 0.048 0.000 1.123 321 T CB 1.847 70.732 68.868 0.027 0.000 0.902 321 T HN 0.565 nan 8.240 nan 0.000 0.528 322 L N 4.649 125.908 121.223 0.059 0.000 2.416 322 L HA 0.319 4.674 4.340 0.025 0.000 0.272 322 L C 0.778 177.698 176.870 0.083 0.000 1.161 322 L CA 0.366 55.255 54.840 0.082 0.000 0.845 322 L CB 0.087 42.165 42.059 0.032 0.000 1.119 322 L HN 0.704 nan 8.230 nan 0.000 0.464 323 I N 2.429 123.060 120.570 0.101 0.000 2.729 323 I HA 0.132 4.317 4.170 0.025 0.000 0.256 323 I C 0.241 176.381 176.117 0.039 0.000 1.115 323 I CA 0.449 61.789 61.300 0.067 0.000 1.446 323 I CB 0.214 38.259 38.000 0.075 0.000 1.176 323 I HN 0.831 nan 8.210 nan 0.000 0.446 324 E N 0.008 120.233 120.200 0.041 0.000 2.422 324 E HA 0.697 5.061 4.350 0.025 0.000 0.280 324 E C -1.502 175.117 176.600 0.032 0.000 1.091 324 E CA -1.073 55.341 56.400 0.023 0.000 0.849 324 E CB 1.577 31.259 29.700 -0.031 0.000 1.353 324 E HN -0.030 nan 8.360 nan 0.000 0.449 325 A N 1.077 123.936 122.820 0.065 0.000 2.414 325 A HA 0.721 5.055 4.320 0.025 0.000 0.306 325 A C -1.052 176.621 177.584 0.147 0.000 1.054 325 A CA -0.722 51.358 52.037 0.071 0.000 0.724 325 A CB 1.691 20.730 19.000 0.065 0.000 1.267 325 A HN 0.501 nan 8.150 nan 0.000 0.418 326 E N -0.336 119.884 120.200 0.034 0.000 2.378 326 E HA 0.839 5.204 4.350 0.025 0.000 0.265 326 E C -0.514 176.102 176.600 0.028 0.000 0.932 326 E CA -0.531 55.932 56.400 0.104 0.000 0.795 326 E CB 2.449 32.089 29.700 -0.099 0.000 1.296 326 E HN 1.190 nan 8.360 nan 0.000 0.438 327 A N -0.082 122.873 122.820 0.224 0.000 2.586 327 A HA 0.748 5.083 4.320 0.025 0.000 0.290 327 A C -1.215 176.568 177.584 0.333 0.000 1.086 327 A CA -0.362 51.752 52.037 0.128 0.000 0.665 327 A CB 0.798 19.814 19.000 0.027 0.000 1.279 327 A HN 0.883 nan 8.150 nan 0.000 0.423 328 C N -0.759 118.688 119.300 0.244 0.000 3.312 328 C HA 0.785 5.260 4.460 0.025 0.000 0.332 328 C C -1.402 173.691 174.990 0.171 0.000 1.340 328 C CA -0.947 58.220 59.018 0.248 0.000 1.265 328 C CB 0.974 28.882 27.740 0.280 0.000 1.563 328 C HN 0.823 nan 8.230 nan 0.000 0.471 329 D N 0.907 121.393 120.400 0.143 0.000 2.302 329 D HA 0.559 5.214 4.640 0.025 0.000 0.248 329 D C -0.376 175.984 176.300 0.100 0.000 1.094 329 D CA 0.193 54.276 54.000 0.139 0.000 0.897 329 D CB 1.830 42.712 40.800 0.138 0.000 1.200 329 D HN 0.554 nan 8.370 nan 0.000 0.429 330 V N 1.048 121.049 119.914 0.144 0.000 2.540 330 V HA 0.663 4.798 4.120 0.025 0.000 0.302 330 V C 0.518 176.679 176.094 0.112 0.000 1.035 330 V CA -0.837 61.494 62.300 0.053 0.000 0.873 330 V CB 2.078 33.922 31.823 0.036 0.000 0.992 330 V HN 0.605 nan 8.190 nan 0.000 0.428 331 G N 2.938 111.698 108.800 -0.067 0.000 2.487 331 G HA2 0.610 4.585 3.960 0.025 0.000 0.314 331 G HA3 0.610 4.585 3.960 0.025 0.000 0.314 331 G C -1.026 173.920 174.900 0.077 0.000 1.267 331 G CA -0.412 44.730 45.100 0.069 0.000 0.937 331 G HN 0.434 nan 8.290 nan 0.000 0.481 332 F N 4.046 124.192 119.950 0.327 0.000 2.468 332 F HA 0.414 4.956 4.527 0.024 0.000 0.356 332 F C 1.160 177.220 175.800 0.433 0.000 1.167 332 F CA -0.072 58.187 58.000 0.431 0.000 1.135 332 F CB 0.576 39.836 39.000 0.433 0.000 1.197 332 F HN 0.433 nan 8.300 nan 0.000 0.569 333 R N 3.145 123.921 120.500 0.460 0.000 2.629 333 R HA 0.399 4.754 4.340 0.025 0.000 0.266 333 R C -1.837 174.593 176.300 0.215 0.000 1.051 333 R CA -0.771 55.437 56.100 0.181 0.000 0.895 333 R CB 1.603 32.065 30.300 0.270 0.000 1.246 333 R HN 0.576 nan 8.270 nan 0.000 0.459 334 E N 2.301 122.528 120.200 0.044 0.000 2.183 334 E HA 0.509 4.874 4.350 0.025 0.000 0.271 334 E C -1.252 175.405 176.600 0.095 0.000 0.919 334 E CA -0.943 55.570 56.400 0.189 0.000 0.781 334 E CB 2.168 32.060 29.700 0.320 0.000 1.140 334 E HN 0.404 nan 8.360 nan 0.000 0.402 335 V N 5.084 125.055 119.914 0.094 0.000 2.487 335 V HA 0.579 4.714 4.120 0.025 0.000 0.298 335 V C -0.289 175.840 176.094 0.059 0.000 1.028 335 V CA -0.732 61.597 62.300 0.047 0.000 0.860 335 V CB 1.339 33.169 31.823 0.013 0.000 0.991 335 V HN 0.758 nan 8.190 nan 0.000 0.427 336 R N 4.224 124.754 120.500 0.051 0.000 2.710 336 R HA 0.748 5.102 4.340 0.025 0.000 0.270 336 R C -2.100 174.224 176.300 0.039 0.000 1.021 336 R CA -0.915 55.219 56.100 0.056 0.000 0.889 336 R CB 2.041 32.389 30.300 0.081 0.000 1.243 336 R HN 0.530 nan 8.270 nan 0.000 0.464 337 I N 1.254 121.847 120.570 0.040 0.000 2.354 337 I HA 0.378 4.562 4.170 0.025 0.000 0.292 337 I C -0.633 175.505 176.117 0.035 0.000 0.989 337 I CA -0.495 60.823 61.300 0.030 0.000 1.188 337 I CB 1.928 39.946 38.000 0.031 0.000 1.342 337 I HN 0.716 nan 8.210 nan 0.000 0.457 338 E N 5.250 125.467 120.200 0.028 0.000 2.304 338 E HA 0.266 4.631 4.350 0.025 0.000 0.277 338 E C -0.244 176.369 176.600 0.021 0.000 0.898 338 E CA -0.501 55.917 56.400 0.030 0.000 0.764 338 E CB 1.034 30.758 29.700 0.040 0.000 1.216 338 E HN 0.518 nan 8.360 nan 0.000 0.419 339 N N 3.083 121.796 118.700 0.020 0.000 2.714 339 N HA -0.239 4.516 4.740 0.025 0.000 0.250 339 N C 0.439 175.954 175.510 0.009 0.000 1.117 339 N CA 2.195 55.254 53.050 0.014 0.000 0.719 339 N CB -1.131 37.363 38.487 0.012 0.000 1.081 339 N HN 0.982 nan 8.380 nan 0.000 0.557 340 G N -2.337 106.469 108.800 0.010 0.000 2.175 340 G HA2 -0.262 3.713 3.960 0.025 0.000 0.244 340 G HA3 -0.262 3.713 3.960 0.025 0.000 0.244 340 G C -0.159 174.735 174.900 -0.010 0.000 0.982 340 G CA 0.398 45.499 45.100 0.002 0.000 0.641 340 G HN 0.449 nan 8.290 nan 0.000 0.527 341 L N 0.093 121.310 121.223 -0.010 0.000 2.365 341 L HA 0.685 5.039 4.340 0.025 0.000 0.273 341 L C 0.017 176.874 176.870 -0.022 0.000 1.000 341 L CA -1.330 53.495 54.840 -0.025 0.000 0.819 341 L CB 1.939 43.983 42.059 -0.025 0.000 1.284 341 L HN 0.086 nan 8.230 nan 0.000 0.418 342 L N 4.515 125.713 121.223 -0.042 0.000 2.315 342 L HA 0.405 4.760 4.340 0.025 0.000 0.283 342 L C -0.810 176.031 176.870 -0.048 0.000 1.089 342 L CA 0.481 55.295 54.840 -0.042 0.000 0.833 342 L CB 0.156 42.175 42.059 -0.067 0.000 1.170 342 L HN 0.377 nan 8.230 nan 0.000 0.442 343 L N 5.881 127.092 121.223 -0.020 0.000 2.334 343 L HA 0.552 4.907 4.340 0.025 0.000 0.276 343 L C -0.780 176.083 176.870 -0.011 0.000 1.014 343 L CA -0.863 53.971 54.840 -0.010 0.000 0.815 343 L CB 1.910 43.986 42.059 0.029 0.000 1.268 343 L HN 0.533 nan 8.230 nan 0.000 0.428 344 L N 3.577 124.800 121.223 -0.000 0.000 2.349 344 L HA 0.494 4.848 4.340 0.025 0.000 0.278 344 L C -0.129 176.723 176.870 -0.031 0.000 0.996 344 L CA -0.022 54.821 54.840 0.004 0.000 0.825 344 L CB 0.983 43.056 42.059 0.023 0.000 1.243 344 L HN 0.602 nan 8.230 nan 0.000 0.412 345 N N 4.076 122.600 118.700 -0.293 0.000 2.721 345 N HA -0.220 4.535 4.740 0.025 0.000 0.249 345 N C 0.914 175.963 175.510 -0.768 0.000 1.072 345 N CA 1.362 53.842 53.050 -0.950 0.000 0.710 345 N CB -1.329 36.578 38.487 -0.966 0.000 0.993 345 N HN 1.197 nan 8.380 nan 0.000 0.547 346 G N -1.942 106.738 108.800 -0.199 0.000 2.184 346 G HA2 -0.355 3.620 3.960 0.025 0.000 0.264 346 G HA3 -0.355 3.620 3.960 0.025 0.000 0.264 346 G C -0.129 174.795 174.900 0.038 0.000 0.975 346 G CA 0.923 46.056 45.100 0.054 0.000 0.642 346 G HN 0.446 nan 8.290 nan 0.000 0.536 347 K N 0.632 121.048 120.400 0.026 0.000 2.259 347 K HA 0.544 4.879 4.320 0.025 0.000 0.252 347 K C -2.880 173.692 176.600 -0.047 0.000 0.936 347 K CA -2.337 53.934 56.287 -0.026 0.000 0.810 347 K CB 2.602 35.021 32.500 -0.135 0.000 1.143 347 K HN 0.072 nan 8.250 nan 0.000 0.427 348 P HA 0.189 nan 4.420 nan 0.000 0.276 348 P C -0.109 177.122 177.300 -0.115 0.000 1.243 348 P CA -0.241 62.810 63.100 -0.081 0.000 0.768 348 P CB 0.511 32.167 31.700 -0.073 0.000 0.856 349 L N 3.350 124.500 121.223 -0.122 0.000 2.464 349 L HA 0.274 4.628 4.340 0.025 0.000 0.264 349 L C 0.696 177.478 176.870 -0.146 0.000 1.199 349 L CA -0.546 54.208 54.840 -0.142 0.000 0.818 349 L CB 0.217 42.149 42.059 -0.212 0.000 1.102 349 L HN 0.275 nan 8.230 nan 0.000 0.473 350 L N 3.417 124.570 121.223 -0.116 0.000 2.427 350 L HA 0.417 4.771 4.340 0.025 0.000 0.264 350 L C -0.557 176.264 176.870 -0.081 0.000 0.989 350 L CA -0.214 54.544 54.840 -0.136 0.000 0.865 350 L CB 0.872 42.880 42.059 -0.084 0.000 1.209 350 L HN 0.241 nan 8.230 nan 0.000 0.430 351 I N 4.808 125.263 120.570 -0.191 0.000 2.421 351 I HA 0.199 4.384 4.170 0.025 0.000 0.291 351 I C 0.584 176.672 176.117 -0.048 0.000 1.089 351 I CA 0.198 61.403 61.300 -0.158 0.000 1.354 351 I CB 0.425 38.194 38.000 -0.384 0.000 1.413 351 I HN 0.556 nan 8.210 nan 0.000 0.513 352 R N 4.798 125.357 120.500 0.099 0.000 3.070 352 R HA 0.445 4.800 4.340 0.025 0.000 0.252 352 R C 0.506 176.943 176.300 0.229 0.000 1.370 352 R CA -0.270 55.934 56.100 0.175 0.000 1.482 352 R CB 0.871 31.094 30.300 -0.129 0.000 1.220 352 R HN 0.780 nan 8.270 nan 0.000 0.622 353 G N 0.078 108.987 108.800 0.181 0.000 2.552 353 G HA2 0.609 4.584 3.960 0.025 0.000 0.324 353 G HA3 0.609 4.584 3.960 0.025 0.000 0.324 353 G C -1.310 173.915 174.900 0.541 0.000 1.217 353 G CA -0.472 44.743 45.100 0.191 0.000 0.989 353 G HN 0.225 nan 8.290 nan 0.000 0.490 354 V N -0.148 120.052 119.914 0.476 0.000 2.969 354 V HA 0.465 4.599 4.120 0.025 0.000 0.304 354 V C -1.262 174.965 176.094 0.222 0.000 1.192 354 V CA -1.197 61.264 62.300 0.268 0.000 0.962 354 V CB 2.200 33.901 31.823 -0.203 0.000 1.045 354 V HN 0.759 nan 8.190 nan 0.000 0.428 355 N N 4.283 123.036 118.700 0.087 0.000 2.499 355 N HA 0.451 5.206 4.740 0.025 0.000 0.281 355 N C -0.744 174.584 175.510 -0.303 0.000 1.098 355 N CA -0.307 52.657 53.050 -0.143 0.000 0.979 355 N CB 1.533 39.865 38.487 -0.258 0.000 1.121 355 N HN 0.642 nan 8.380 nan 0.000 0.466 356 R N 2.165 122.450 120.500 -0.357 0.000 2.502 356 R HA 0.212 4.566 4.340 0.025 0.000 0.298 356 R C -0.862 175.203 176.300 -0.392 0.000 1.018 356 R CA -0.550 55.365 56.100 -0.307 0.000 0.899 356 R CB 0.774 30.861 30.300 -0.356 0.000 1.181 356 R HN 0.594 nan 8.270 nan 0.000 0.444 357 H N 2.097 121.035 119.070 -0.220 0.000 2.546 357 H HA 0.105 4.676 4.556 0.025 0.000 0.365 357 H C -0.441 174.892 175.328 0.010 0.000 1.220 357 H CA 0.160 56.166 56.048 -0.069 0.000 1.386 357 H CB 1.332 31.119 29.762 0.042 0.000 1.510 357 H HN 0.549 nan 8.280 nan 0.000 0.591 358 E N 1.743 122.137 120.200 0.323 0.000 1.941 358 E HA 0.090 4.455 4.350 0.025 0.000 0.275 358 E C -0.731 176.029 176.600 0.266 0.000 1.113 358 E CA -0.013 56.508 56.400 0.201 0.000 0.878 358 E CB 0.189 30.030 29.700 0.235 0.000 1.070 358 E HN 0.376 nan 8.360 nan 0.000 0.399 359 H N 1.794 120.932 119.070 0.113 0.000 2.856 359 H HA 0.240 4.811 4.556 0.025 0.000 0.355 359 H C -1.615 173.767 175.328 0.090 0.000 1.079 359 H CA -0.669 55.439 56.048 0.100 0.000 1.240 359 H CB 0.962 30.772 29.762 0.081 0.000 1.701 359 H HN 0.386 nan 8.280 nan 0.000 0.527 360 H N 6.261 124.941 119.070 -0.651 0.000 2.589 360 H HA 0.234 4.804 4.556 0.025 0.000 0.351 360 H C -2.300 172.651 175.328 -0.628 0.000 1.074 360 H CA -2.517 53.282 56.048 -0.415 0.000 1.203 360 H CB 2.712 32.386 29.762 -0.146 0.000 1.558 360 H HN 0.544 nan 8.280 nan 0.000 0.522 361 P HA -0.046 nan 4.420 nan 0.000 0.223 361 P C 1.139 178.352 177.300 -0.144 0.000 1.151 361 P CA 0.642 63.597 63.100 -0.241 0.000 0.787 361 P CB 0.967 32.565 31.700 -0.171 0.000 0.788 362 L N -2.115 119.155 121.223 0.079 0.000 2.467 362 L HA 0.159 4.514 4.340 0.025 0.000 0.213 362 L C 2.090 178.721 176.870 -0.398 0.000 1.053 362 L CA 0.573 55.285 54.840 -0.213 0.000 0.847 362 L CB -0.356 41.481 42.059 -0.371 0.000 1.075 362 L HN -0.054 nan 8.230 nan 0.000 0.479 363 H N -0.858 118.154 119.070 -0.098 0.000 2.539 363 H HA 0.263 4.833 4.556 0.025 0.000 0.269 363 H C 1.394 176.612 175.328 -0.184 0.000 0.980 363 H CA 0.296 56.204 56.048 -0.233 0.000 1.152 363 H CB 0.432 29.953 29.762 -0.402 0.000 1.407 363 H HN 0.377 nan 8.280 nan 0.000 0.564 364 G N 1.355 110.071 108.800 -0.139 0.000 2.559 364 G HA2 -0.391 3.583 3.960 0.025 0.000 0.282 364 G HA3 -0.391 3.583 3.960 0.025 0.000 0.282 364 G C 0.657 175.477 174.900 -0.133 0.000 1.177 364 G CA 0.377 45.346 45.100 -0.218 0.000 0.960 364 G HN 0.461 nan 8.290 nan 0.000 0.540 365 Q N -0.043 119.714 119.800 -0.073 0.000 2.188 365 Q HA 0.493 4.847 4.340 0.025 0.000 0.212 365 Q C 0.174 176.286 176.000 0.187 0.000 0.846 365 Q CA -0.150 55.663 55.803 0.017 0.000 0.989 365 Q CB 1.457 30.111 28.738 -0.139 0.000 1.114 365 Q HN 0.357 nan 8.270 nan 0.000 0.488 366 V N 2.160 122.155 119.914 0.134 0.000 2.461 366 V HA 0.187 4.321 4.120 0.025 0.000 0.275 366 V C 0.141 176.285 176.094 0.083 0.000 1.047 366 V CA 0.076 62.448 62.300 0.119 0.000 0.955 366 V CB 0.898 32.722 31.823 0.002 0.000 0.988 366 V HN 0.340 nan 8.190 nan 0.000 0.471 367 M N 5.399 125.055 119.600 0.094 0.000 2.423 367 M HA 0.516 5.011 4.480 0.025 0.000 0.335 367 M C -0.360 175.906 176.300 -0.057 0.000 1.177 367 M CA -0.407 54.909 55.300 0.027 0.000 1.038 367 M CB 1.780 34.370 32.600 -0.017 0.000 1.641 367 M HN 0.835 nan 8.290 nan 0.000 0.455 368 D N 0.149 120.520 120.400 -0.048 0.000 2.581 368 D HA 0.210 4.865 4.640 0.025 0.000 0.232 368 D C 0.018 176.298 176.300 -0.033 0.000 1.143 368 D CA -0.443 53.523 54.000 -0.057 0.000 0.881 368 D CB 1.986 42.769 40.800 -0.029 0.000 1.500 368 D HN 0.725 nan 8.370 nan 0.000 0.458 369 E N 0.154 120.341 120.200 -0.022 0.000 2.110 369 E HA -0.277 4.087 4.350 0.025 0.000 0.193 369 E C 1.627 178.266 176.600 0.064 0.000 0.988 369 E CA 1.417 57.831 56.400 0.023 0.000 0.804 369 E CB 0.210 29.937 29.700 0.046 0.000 0.745 369 E HN 0.388 nan 8.360 nan 0.000 0.458 370 Q N -0.141 119.699 119.800 0.067 0.000 2.084 370 Q HA -0.125 4.230 4.340 0.025 0.000 0.202 370 Q C 2.019 178.078 176.000 0.098 0.000 0.978 370 Q CA 2.344 58.197 55.803 0.083 0.000 0.844 370 Q CB -0.262 28.526 28.738 0.083 0.000 0.898 370 Q HN 0.245 nan 8.270 nan 0.000 0.426 371 T N -0.045 114.578 114.554 0.114 0.000 2.777 371 T HA -0.116 4.248 4.350 0.025 0.000 0.266 371 T C 1.714 176.493 174.700 0.132 0.000 1.040 371 T CA 1.415 63.596 62.100 0.135 0.000 1.141 371 T CB -0.165 68.811 68.868 0.181 0.000 0.868 371 T HN 0.269 nan 8.240 nan 0.000 0.444 372 M N 0.568 120.246 119.600 0.130 0.000 2.080 372 M HA -0.100 4.395 4.480 0.025 0.000 0.260 372 M C 2.457 178.867 176.300 0.183 0.000 1.068 372 M CA 1.362 56.800 55.300 0.230 0.000 1.109 372 M CB -0.590 32.170 32.600 0.267 0.000 1.342 372 M HN 0.095 nan 8.290 nan 0.000 0.405 373 V N 0.180 120.144 119.914 0.084 0.000 2.407 373 V HA -0.291 3.844 4.120 0.025 0.000 0.248 373 V C 2.313 178.389 176.094 -0.030 0.000 1.055 373 V CA 1.974 64.255 62.300 -0.032 0.000 1.049 373 V CB -0.845 30.996 31.823 0.029 0.000 0.662 373 V HN 0.565 nan 8.190 nan 0.000 0.455 374 Q N -0.258 119.576 119.800 0.057 0.000 2.096 374 Q HA -0.269 4.086 4.340 0.025 0.000 0.204 374 Q C 1.957 178.030 176.000 0.121 0.000 0.982 374 Q CA 2.134 57.988 55.803 0.086 0.000 0.850 374 Q CB -0.113 28.690 28.738 0.109 0.000 0.901 374 Q HN 0.618 nan 8.270 nan 0.000 0.422 375 D N 0.423 120.912 120.400 0.149 0.000 2.084 375 D HA -0.157 4.498 4.640 0.025 0.000 0.194 375 D C 1.934 178.189 176.300 -0.076 0.000 0.990 375 D CA 1.230 55.318 54.000 0.146 0.000 0.826 375 D CB -0.272 40.589 40.800 0.102 0.000 0.971 375 D HN 0.339 nan 8.370 nan 0.000 0.453 376 I N 0.643 121.157 120.570 -0.094 0.000 2.163 376 I HA -0.258 3.927 4.170 0.025 0.000 0.243 376 I C 2.475 178.449 176.117 -0.237 0.000 1.085 376 I CA 0.737 61.875 61.300 -0.269 0.000 1.347 376 I CB -0.166 37.539 38.000 -0.490 0.000 1.044 376 I HN 0.026 nan 8.210 nan 0.000 0.408 377 L N 0.075 121.192 121.223 -0.176 0.000 2.017 377 L HA -0.242 4.113 4.340 0.025 0.000 0.208 377 L C 2.590 179.526 176.870 0.111 0.000 1.073 377 L CA 1.496 56.327 54.840 -0.016 0.000 0.745 377 L CB -0.579 41.501 42.059 0.035 0.000 0.894 377 L HN 0.296 nan 8.230 nan 0.000 0.432 378 L N -1.050 120.266 121.223 0.154 0.000 2.079 378 L HA -0.265 4.089 4.340 0.025 0.000 0.210 378 L C 2.689 179.739 176.870 0.300 0.000 1.081 378 L CA 1.314 56.334 54.840 0.300 0.000 0.752 378 L CB -0.314 42.041 42.059 0.494 0.000 0.896 378 L HN 0.299 nan 8.230 nan 0.000 0.433 379 M N -0.638 118.967 119.600 0.008 0.000 2.059 379 M HA -0.248 4.247 4.480 0.025 0.000 0.259 379 M C 2.353 178.741 176.300 0.147 0.000 1.072 379 M CA 1.896 57.132 55.300 -0.107 0.000 1.117 379 M CB -0.315 31.993 32.600 -0.487 0.000 1.320 379 M HN 0.079 nan 8.290 nan 0.000 0.408 380 K N -0.032 120.344 120.400 -0.039 0.000 2.063 380 K HA -0.202 4.133 4.320 0.025 0.000 0.208 380 K C 1.923 178.486 176.600 -0.061 0.000 1.048 380 K CA 1.428 57.567 56.287 -0.248 0.000 0.928 380 K CB -0.294 31.839 32.500 -0.612 0.000 0.713 380 K HN 0.494 nan 8.250 nan 0.000 0.442 381 Q N 0.361 120.318 119.800 0.262 0.000 2.226 381 Q HA -0.071 4.284 4.340 0.025 0.000 0.204 381 Q C 0.878 177.180 176.000 0.504 0.000 0.975 381 Q CA 0.805 56.890 55.803 0.471 0.000 0.866 381 Q CB 0.038 29.030 28.738 0.424 0.000 0.915 381 Q HN 0.297 nan 8.270 nan 0.000 0.440 382 N N 0.603 119.553 118.700 0.417 0.000 2.273 382 N HA 0.053 4.808 4.740 0.025 0.000 0.231 382 N C -0.654 174.966 175.510 0.183 0.000 1.134 382 N CA 0.007 53.295 53.050 0.397 0.000 0.856 382 N CB 0.675 39.480 38.487 0.530 0.000 1.068 382 N HN 0.160 nan 8.380 nan 0.000 0.510 383 N N 0.223 119.036 118.700 0.189 0.000 2.776 383 N HA -0.186 4.569 4.740 0.025 0.000 0.250 383 N C -0.890 174.537 175.510 -0.138 0.000 1.112 383 N CA 0.806 53.919 53.050 0.105 0.000 0.733 383 N CB -1.769 36.711 38.487 -0.010 0.000 1.097 383 N HN 0.262 nan 8.380 nan 0.000 0.558 384 F N 1.019 120.993 119.950 0.041 0.000 2.379 384 F HA 0.318 4.859 4.527 0.024 0.000 0.332 384 F C 1.735 177.534 175.800 -0.002 0.000 1.096 384 F CA -0.606 57.402 58.000 0.013 0.000 1.105 384 F CB 0.874 39.858 39.000 -0.028 0.000 1.189 384 F HN 0.047 nan 8.300 nan 0.000 0.515 385 N N 0.764 119.583 118.700 0.198 0.000 2.160 385 N HA 0.459 5.214 4.740 0.025 0.000 0.226 385 N C -0.899 174.662 175.510 0.085 0.000 1.256 385 N CA -0.042 53.049 53.050 0.069 0.000 0.890 385 N CB 0.785 39.355 38.487 0.137 0.000 1.116 385 N HN 0.486 nan 8.380 nan 0.000 0.517 386 A N -0.632 122.317 122.820 0.215 0.000 2.612 386 A HA 0.741 5.076 4.320 0.025 0.000 0.293 386 A C -1.826 175.990 177.584 0.388 0.000 1.075 386 A CA -0.670 51.560 52.037 0.323 0.000 0.680 386 A CB 1.686 20.905 19.000 0.365 0.000 1.279 386 A HN 0.265 nan 8.150 nan 0.000 0.411 387 V N 1.058 121.244 119.914 0.453 0.000 2.888 387 V HA 0.826 4.961 4.120 0.025 0.000 0.309 387 V C -0.642 175.584 176.094 0.220 0.000 1.114 387 V CA -0.687 61.828 62.300 0.359 0.000 0.940 387 V CB 1.891 33.853 31.823 0.232 0.000 1.021 387 V HN 1.181 nan 8.190 nan 0.000 0.426 388 R N 4.817 125.282 120.500 -0.059 0.000 2.393 388 R HA 0.499 4.854 4.340 0.025 0.000 0.310 388 R C -0.725 175.422 176.300 -0.254 0.000 0.968 388 R CA -0.460 55.411 56.100 -0.381 0.000 0.867 388 R CB 1.240 31.073 30.300 -0.780 0.000 1.124 388 R HN 0.806 nan 8.270 nan 0.000 0.450 389 C N 4.412 123.593 119.300 -0.198 0.000 3.183 389 C HA 0.110 4.584 4.460 0.025 0.000 0.545 389 C C 0.483 175.175 174.990 -0.498 0.000 1.044 389 C CA -0.414 58.434 59.018 -0.283 0.000 1.117 389 C CB -2.164 25.529 27.740 -0.079 0.000 1.393 389 C HN 0.720 nan 8.230 nan 0.000 0.611 390 S N 1.505 116.776 115.700 -0.714 0.000 2.481 390 S HA 0.163 4.648 4.470 0.025 0.000 0.282 390 S C -0.135 173.557 174.600 -1.513 0.000 1.243 390 S CA 0.182 57.672 58.200 -1.184 0.000 1.078 390 S CB 0.103 62.577 63.200 -1.210 0.000 0.916 390 S HN 0.733 nan 8.310 nan 0.000 0.495 391 H N 3.699 122.153 119.070 -1.026 0.000 2.514 391 H HA 0.316 4.887 4.556 0.024 0.000 0.226 391 H C -1.177 174.039 175.328 -0.187 0.000 1.421 391 H CA -0.349 55.494 56.048 -0.342 0.000 1.394 391 H CB -0.072 29.699 29.762 0.015 0.000 1.701 391 H HN 0.897 nan 8.280 nan 0.000 0.515 392 Y N -2.748 117.656 120.300 0.172 0.000 2.765 392 Y HA 0.374 4.939 4.550 0.025 0.000 0.350 392 Y C -3.380 172.628 175.900 0.179 0.000 1.196 392 Y CA -2.919 55.292 58.100 0.185 0.000 1.119 392 Y CB -0.004 38.573 38.460 0.194 0.000 1.368 392 Y HN -0.072 nan 8.280 nan 0.000 0.463 393 P HA 0.186 nan 4.420 nan 0.000 0.271 393 P C -0.598 176.990 177.300 0.481 0.000 1.216 393 P CA 0.092 63.444 63.100 0.421 0.000 0.776 393 P CB 0.600 32.483 31.700 0.305 0.000 0.881 394 N N 0.675 119.670 118.700 0.491 0.000 2.434 394 N HA 0.072 4.827 4.740 0.025 0.000 0.266 394 N C 0.194 175.948 175.510 0.407 0.000 1.223 394 N CA -0.543 52.711 53.050 0.340 0.000 0.972 394 N CB 0.326 38.810 38.487 -0.005 0.000 1.207 394 N HN 0.602 nan 8.380 nan 0.000 0.525 395 H N 2.221 121.397 119.070 0.177 0.000 3.064 395 H HA -0.016 4.555 4.556 0.024 0.000 0.329 395 H C -1.617 173.878 175.328 0.278 0.000 1.020 395 H CA -0.710 55.428 56.048 0.150 0.000 1.402 395 H CB 0.949 30.765 29.762 0.090 0.000 1.379 395 H HN 0.432 nan 8.280 nan 0.000 0.594 396 P HA -0.197 nan 4.420 nan 0.000 0.218 396 P C 1.800 179.423 177.300 0.539 0.000 1.148 396 P CA 0.663 64.034 63.100 0.451 0.000 0.822 396 P CB 0.223 32.037 31.700 0.190 0.000 0.784 397 L N -1.061 120.550 121.223 0.647 0.000 2.201 397 L HA -0.027 4.328 4.340 0.025 0.000 0.212 397 L C 2.351 179.372 176.870 0.251 0.000 1.105 397 L CA 1.292 56.348 54.840 0.361 0.000 0.775 397 L CB -1.436 40.756 42.059 0.222 0.000 0.913 397 L HN 0.024 nan 8.230 nan 0.000 0.440 398 W N -0.453 120.862 121.300 0.026 0.000 2.321 398 W HA -0.339 4.336 4.660 0.024 0.000 0.306 398 W C 2.043 178.413 176.519 -0.249 0.000 1.217 398 W CA 1.941 59.176 57.345 -0.184 0.000 1.257 398 W CB -0.359 28.887 29.460 -0.355 0.000 1.145 398 W HN 0.277 nan 8.180 nan 0.000 0.509 399 Y N 0.720 120.951 120.300 -0.116 0.000 2.224 399 Y HA -0.212 4.353 4.550 0.024 0.000 0.289 399 Y C 2.860 178.537 175.900 -0.372 0.000 1.146 399 Y CA 2.100 59.917 58.100 -0.470 0.000 1.182 399 Y CB -1.332 36.517 38.460 -1.019 0.000 0.983 399 Y HN -0.224 nan 8.280 nan 0.000 0.524 400 T N 0.756 115.322 114.554 0.019 0.000 2.720 400 T HA -0.176 4.189 4.350 0.025 0.000 0.268 400 T C 1.973 176.709 174.700 0.059 0.000 1.037 400 T CA 1.520 63.706 62.100 0.143 0.000 1.144 400 T CB -0.544 68.456 68.868 0.220 0.000 0.864 400 T HN 0.244 nan 8.240 nan 0.000 0.444 401 L N 0.178 121.388 121.223 -0.022 0.000 2.093 401 L HA -0.077 4.278 4.340 0.025 0.000 0.208 401 L C 2.871 179.712 176.870 -0.048 0.000 1.085 401 L CA 0.834 55.683 54.840 0.015 0.000 0.755 401 L CB -0.682 41.344 42.059 -0.054 0.000 0.904 401 L HN 0.372 nan 8.230 nan 0.000 0.435 402 C N -0.172 118.934 119.300 -0.324 0.000 2.440 402 C HA -0.134 4.340 4.460 0.025 0.000 0.278 402 C C 2.425 177.455 174.990 0.066 0.000 1.295 402 C CA 0.427 59.292 59.018 -0.254 0.000 1.738 402 C CB -0.741 26.742 27.740 -0.427 0.000 1.987 402 C HN 0.536 nan 8.230 nan 0.000 0.492 403 D N 0.439 120.886 120.400 0.078 0.000 2.117 403 D HA -0.094 4.561 4.640 0.025 0.000 0.197 403 D C 2.396 178.904 176.300 0.346 0.000 0.987 403 D CA 1.210 55.336 54.000 0.210 0.000 0.829 403 D CB -0.319 40.565 40.800 0.141 0.000 0.961 403 D HN 0.529 nan 8.370 nan 0.000 0.460 404 R N -1.049 119.548 120.500 0.161 0.000 2.112 404 R HA 0.034 4.389 4.340 0.025 0.000 0.216 404 R C 2.125 178.382 176.300 -0.072 0.000 1.080 404 R CA 0.427 56.554 56.100 0.046 0.000 0.996 404 R CB -0.140 30.119 30.300 -0.068 0.000 0.902 404 R HN 0.257 nan 8.270 nan 0.000 0.449 405 Y N 0.162 120.471 120.300 0.015 0.000 2.420 405 Y HA 0.131 4.695 4.550 0.024 0.000 0.292 405 Y C 1.008 176.839 175.900 -0.116 0.000 1.119 405 Y CA 0.900 58.980 58.100 -0.033 0.000 1.229 405 Y CB 0.567 38.975 38.460 -0.086 0.000 1.026 405 Y HN 0.237 nan 8.280 nan 0.000 0.554 406 G N 1.173 110.006 108.800 0.055 0.000 2.830 406 G HA2 -0.159 3.816 3.960 0.025 0.000 0.298 406 G HA3 -0.159 3.816 3.960 0.025 0.000 0.298 406 G C -1.173 173.580 174.900 -0.245 0.000 1.031 406 G CA -0.508 44.504 45.100 -0.147 0.000 1.179 406 G HN 0.174 nan 8.290 nan 0.000 0.527 407 L N 1.118 122.272 121.223 -0.115 0.000 2.455 407 L HA 0.500 4.855 4.340 0.025 0.000 0.264 407 L C -0.048 176.832 176.870 0.017 0.000 0.968 407 L CA -1.283 53.450 54.840 -0.179 0.000 0.827 407 L CB 2.012 43.990 42.059 -0.135 0.000 1.317 407 L HN 0.471 nan 8.230 nan 0.000 0.407 408 Y N 1.853 122.290 120.300 0.229 0.000 2.319 408 Y HA 0.427 4.993 4.550 0.027 0.000 0.328 408 Y C 0.186 176.223 175.900 0.229 0.000 1.133 408 Y CA -0.748 57.522 58.100 0.283 0.000 1.265 408 Y CB 1.343 39.946 38.460 0.238 0.000 1.218 408 Y HN 0.156 nan 8.280 nan 0.000 0.508 409 V N 4.125 124.235 119.914 0.328 0.000 2.680 409 V HA 0.337 4.472 4.120 0.025 0.000 0.309 409 V C -0.597 175.579 176.094 0.137 0.000 1.052 409 V CA -1.034 61.396 62.300 0.216 0.000 0.908 409 V CB 2.017 33.930 31.823 0.150 0.000 1.001 409 V HN 0.454 nan 8.190 nan 0.000 0.431 410 V N 2.984 122.940 119.914 0.071 0.000 2.333 410 V HA 0.338 4.472 4.120 0.025 0.000 0.274 410 V C -0.397 175.726 176.094 0.049 0.000 1.028 410 V CA -0.327 61.963 62.300 -0.016 0.000 0.851 410 V CB 1.435 33.140 31.823 -0.198 0.000 1.000 410 V HN 0.892 nan 8.190 nan 0.000 0.456 411 D N 4.174 124.645 120.400 0.117 0.000 2.249 411 D HA 0.336 4.991 4.640 0.025 0.000 0.246 411 D C -0.264 176.225 176.300 0.316 0.000 1.114 411 D CA -0.120 54.048 54.000 0.280 0.000 0.854 411 D CB 1.352 42.364 40.800 0.353 0.000 1.132 411 D HN 0.683 nan 8.370 nan 0.000 0.461 412 E N 1.979 122.330 120.200 0.251 0.000 2.210 412 E HA 0.628 4.993 4.350 0.025 0.000 0.266 412 E C -1.030 175.711 176.600 0.234 0.000 0.883 412 E CA -1.064 55.472 56.400 0.227 0.000 0.761 412 E CB 1.354 31.140 29.700 0.144 0.000 1.156 412 E HN 0.458 nan 8.360 nan 0.000 0.412 413 A N 3.839 126.789 122.820 0.217 0.000 2.483 413 A HA 0.061 4.396 4.320 0.025 0.000 0.238 413 A C 0.297 178.008 177.584 0.211 0.000 1.070 413 A CA -0.210 51.934 52.037 0.179 0.000 0.770 413 A CB 0.121 19.191 19.000 0.116 0.000 1.008 413 A HN 0.706 nan 8.150 nan 0.000 0.497 414 N N 1.436 120.269 118.700 0.221 0.000 3.050 414 N HA 0.249 5.003 4.740 0.025 0.000 0.289 414 N C -1.023 174.619 175.510 0.220 0.000 1.209 414 N CA 0.225 53.441 53.050 0.277 0.000 1.154 414 N CB -0.794 37.855 38.487 0.270 0.000 1.444 414 N HN 0.474 nan 8.380 nan 0.000 0.529 415 I N 1.119 121.813 120.570 0.206 0.000 2.503 415 I HA 0.261 4.445 4.170 0.025 0.000 0.282 415 I C -0.599 175.625 176.117 0.178 0.000 1.059 415 I CA -0.628 60.776 61.300 0.173 0.000 1.081 415 I CB 1.641 39.716 38.000 0.125 0.000 1.210 415 I HN 0.279 nan 8.210 nan 0.000 0.450 416 E N 4.397 124.699 120.200 0.170 0.000 2.274 416 E HA 0.406 4.771 4.350 0.025 0.000 0.269 416 E C -0.584 176.089 176.600 0.121 0.000 0.891 416 E CA -0.506 55.968 56.400 0.123 0.000 0.784 416 E CB 1.636 31.392 29.700 0.093 0.000 1.225 416 E HN 0.570 nan 8.360 nan 0.000 0.412 417 T N 0.645 115.262 114.554 0.105 0.000 3.448 417 T HA 0.163 4.528 4.350 0.025 0.000 0.271 417 T C 0.841 175.597 174.700 0.093 0.000 1.002 417 T CA -0.360 61.828 62.100 0.147 0.000 0.995 417 T CB -0.302 68.635 68.868 0.115 0.000 1.153 417 T HN 0.676 nan 8.240 nan 0.000 0.510 418 H N 1.210 120.202 119.070 -0.130 0.000 2.394 418 H HA -0.070 4.502 4.556 0.026 0.000 0.297 418 H C 2.298 177.507 175.328 -0.198 0.000 1.113 418 H CA 1.373 57.315 56.048 -0.177 0.000 1.277 418 H CB -0.162 29.458 29.762 -0.237 0.000 1.370 418 H HN 0.590 nan 8.280 nan 0.000 0.506 419 G N 0.150 108.808 108.800 -0.236 0.000 2.744 419 G HA2 -0.043 3.932 3.960 0.025 0.000 0.211 419 G HA3 -0.043 3.932 3.960 0.025 0.000 0.211 419 G C 0.487 175.503 174.900 0.193 0.000 1.143 419 G CA -0.136 44.841 45.100 -0.204 0.000 0.788 419 G HN 0.145 nan 8.290 nan 0.000 0.534 420 M N 0.308 120.063 119.600 0.259 0.000 2.198 420 M HA 0.334 4.829 4.480 0.025 0.000 0.315 420 M C -0.374 175.960 176.300 0.058 0.000 1.134 420 M CA -0.277 55.121 55.300 0.162 0.000 1.171 420 M CB 1.340 33.987 32.600 0.079 0.000 1.413 420 M HN -0.204 nan 8.290 nan 0.000 0.467 421 V N 3.521 123.446 119.914 0.018 0.000 2.488 421 V HA 0.358 4.493 4.120 0.025 0.000 0.293 421 V C -1.961 174.123 176.094 -0.017 0.000 1.027 421 V CA -1.255 61.041 62.300 -0.006 0.000 0.862 421 V CB 1.809 33.623 31.823 -0.014 0.000 1.008 421 V HN 0.745 nan 8.190 nan 0.000 0.428 422 P HA 0.261 nan 4.420 nan 0.000 0.275 422 P C 1.014 178.314 177.300 -0.000 0.000 1.266 422 P CA -0.531 62.561 63.100 -0.012 0.000 0.793 422 P CB 1.086 32.779 31.700 -0.012 0.000 1.074 423 M N 0.622 120.228 119.600 0.009 0.000 2.202 423 M HA -0.174 4.320 4.480 0.025 0.000 0.262 423 M C 1.173 177.496 176.300 0.038 0.000 1.063 423 M CA 1.908 57.224 55.300 0.028 0.000 1.097 423 M CB -0.494 32.113 32.600 0.012 0.000 1.382 423 M HN 0.382 nan 8.290 nan 0.000 0.413 424 N N -0.095 118.627 118.700 0.038 0.000 2.313 424 N HA -0.073 4.682 4.740 0.025 0.000 0.207 424 N C 1.113 176.608 175.510 -0.025 0.000 1.141 424 N CA 0.164 53.241 53.050 0.044 0.000 0.830 424 N CB -0.753 37.777 38.487 0.072 0.000 1.008 424 N HN 0.358 nan 8.380 nan 0.000 0.481 425 R N 0.400 120.869 120.500 -0.052 0.000 2.103 425 R HA -0.031 4.324 4.340 0.025 0.000 0.242 425 R C 1.385 177.588 176.300 -0.162 0.000 1.142 425 R CA 1.482 57.526 56.100 -0.092 0.000 0.960 425 R CB -0.060 30.180 30.300 -0.101 0.000 0.858 425 R HN 0.312 nan 8.270 nan 0.000 0.439 426 L N -0.766 120.302 121.223 -0.258 0.000 2.202 426 L HA 0.014 4.368 4.340 0.025 0.000 0.205 426 L C 2.432 179.177 176.870 -0.208 0.000 1.083 426 L CA 1.200 55.767 54.840 -0.454 0.000 0.790 426 L CB -0.443 41.055 42.059 -0.936 0.000 0.942 426 L HN 0.337 nan 8.230 nan 0.000 0.452 427 T N -4.333 110.131 114.554 -0.151 0.000 3.072 427 T HA -0.151 4.214 4.350 0.025 0.000 0.266 427 T C 1.257 175.884 174.700 -0.122 0.000 1.127 427 T CA 1.155 63.153 62.100 -0.169 0.000 1.107 427 T CB -0.201 68.522 68.868 -0.242 0.000 0.910 427 T HN 0.115 nan 8.240 nan 0.000 0.513 428 D N 1.050 121.409 120.400 -0.068 0.000 2.349 428 D HA 0.103 4.758 4.640 0.025 0.000 0.214 428 D C -0.216 176.073 176.300 -0.019 0.000 1.063 428 D CA -0.200 53.771 54.000 -0.049 0.000 0.847 428 D CB -0.024 40.750 40.800 -0.044 0.000 0.933 428 D HN 0.324 nan 8.370 nan 0.000 0.513 429 D N -0.129 120.277 120.400 0.009 0.000 2.280 429 D HA 0.121 4.776 4.640 0.025 0.000 0.236 429 D C -1.656 174.703 176.300 0.098 0.000 1.082 429 D CA -2.190 51.851 54.000 0.070 0.000 0.834 429 D CB 2.096 42.982 40.800 0.143 0.000 1.100 429 D HN -0.038 nan 8.370 nan 0.000 0.486 430 P HA -0.096 nan 4.420 nan 0.000 0.222 430 P C 0.929 178.236 177.300 0.011 0.000 1.147 430 P CA 0.670 63.784 63.100 0.024 0.000 0.790 430 P CB 0.324 32.025 31.700 0.003 0.000 0.780 431 R N -1.777 118.735 120.500 0.019 0.000 2.285 431 R HA -0.069 4.286 4.340 0.025 0.000 0.213 431 R C 1.317 177.482 176.300 -0.226 0.000 1.068 431 R CA 0.991 57.032 56.100 -0.097 0.000 1.004 431 R CB -0.496 29.733 30.300 -0.119 0.000 0.873 431 R HN 0.331 nan 8.270 nan 0.000 0.467 432 W N -0.305 120.946 121.300 -0.081 0.000 3.127 432 W HA 0.150 4.824 4.660 0.024 0.000 0.344 432 W C 1.432 177.898 176.519 -0.088 0.000 1.151 432 W CA -0.557 56.740 57.345 -0.080 0.000 1.765 432 W CB 0.105 29.516 29.460 -0.082 0.000 1.085 432 W HN -0.001 nan 8.180 nan 0.000 0.596 433 L N 2.169 123.421 121.223 0.048 0.000 2.046 433 L HA -0.007 4.348 4.340 0.025 0.000 0.208 433 L C -0.743 176.095 176.870 -0.053 0.000 1.077 433 L CA 2.229 57.062 54.840 -0.010 0.000 0.747 433 L CB -1.590 40.453 42.059 -0.026 0.000 0.896 433 L HN -0.247 nan 8.230 nan 0.000 0.432 434 P HA -0.126 nan 4.420 nan 0.000 0.214 434 P C 1.662 178.908 177.300 -0.090 0.000 1.162 434 P CA 2.166 65.205 63.100 -0.102 0.000 0.879 434 P CB -0.256 31.374 31.700 -0.117 0.000 0.786 435 A N -0.812 121.965 122.820 -0.073 0.000 1.908 435 A HA -0.218 4.117 4.320 0.025 0.000 0.218 435 A C 2.257 179.855 177.584 0.023 0.000 1.181 435 A CA 2.137 54.165 52.037 -0.015 0.000 0.627 435 A CB -1.539 17.476 19.000 0.024 0.000 0.818 435 A HN 0.114 nan 8.150 nan 0.000 0.445 436 M N 0.125 119.749 119.600 0.041 0.000 2.200 436 M HA -0.129 4.366 4.480 0.025 0.000 0.265 436 M C 2.526 178.778 176.300 -0.081 0.000 1.066 436 M CA 1.632 56.936 55.300 0.007 0.000 1.127 436 M CB -0.352 32.236 32.600 -0.019 0.000 1.379 436 M HN 0.673 nan 8.290 nan 0.000 0.420 437 S N 0.368 115.993 115.700 -0.126 0.000 2.382 437 S HA -0.173 4.312 4.470 0.025 0.000 0.228 437 S C 1.583 176.017 174.600 -0.276 0.000 1.027 437 S CA 1.372 59.430 58.200 -0.238 0.000 0.991 437 S CB -0.585 62.448 63.200 -0.279 0.000 0.823 437 S HN 0.514 nan 8.310 nan 0.000 0.469 438 E N 1.138 121.225 120.200 -0.188 0.000 2.160 438 E HA -0.120 4.245 4.350 0.025 0.000 0.195 438 E C 2.400 178.916 176.600 -0.140 0.000 0.991 438 E CA 1.046 57.343 56.400 -0.172 0.000 0.810 438 E CB -0.153 29.483 29.700 -0.106 0.000 0.742 438 E HN 0.585 nan 8.360 nan 0.000 0.466 439 R N 0.048 120.497 120.500 -0.084 0.000 2.115 439 R HA -0.082 4.273 4.340 0.025 0.000 0.230 439 R C 2.245 178.506 176.300 -0.064 0.000 1.111 439 R CA 0.775 56.857 56.100 -0.031 0.000 0.976 439 R CB 0.005 30.327 30.300 0.038 0.000 0.870 439 R HN 0.029 nan 8.270 nan 0.000 0.445 440 V N 0.047 119.875 119.914 -0.144 0.000 2.374 440 V HA -0.167 3.968 4.120 0.025 0.000 0.241 440 V C 2.490 178.402 176.094 -0.302 0.000 1.034 440 V CA 2.049 64.243 62.300 -0.177 0.000 1.037 440 V CB -0.244 31.464 31.823 -0.192 0.000 0.682 440 V HN 0.510 nan 8.190 nan 0.000 0.463 441 T N -0.451 113.795 114.554 -0.513 0.000 2.788 441 T HA -0.250 4.115 4.350 0.025 0.000 0.268 441 T C 1.903 176.430 174.700 -0.288 0.000 1.044 441 T CA 1.494 63.188 62.100 -0.677 0.000 1.139 441 T CB -0.428 67.823 68.868 -1.029 0.000 0.867 441 T HN 0.431 nan 8.240 nan 0.000 0.454 442 R N 0.266 120.630 120.500 -0.226 0.000 2.189 442 R HA 0.234 4.589 4.340 0.025 0.000 0.218 442 R C 2.613 178.834 176.300 -0.133 0.000 1.074 442 R CA 1.275 57.281 56.100 -0.157 0.000 0.991 442 R CB -0.445 29.773 30.300 -0.137 0.000 0.883 442 R HN 0.495 nan 8.270 nan 0.000 0.457 443 M N 0.494 120.022 119.600 -0.120 0.000 2.156 443 M HA -0.094 4.401 4.480 0.025 0.000 0.264 443 M C 1.766 177.989 176.300 -0.128 0.000 1.067 443 M CA 1.495 56.755 55.300 -0.067 0.000 1.131 443 M CB 0.201 32.800 32.600 -0.001 0.000 1.368 443 M HN -0.032 nan 8.290 nan 0.000 0.416 444 V N 1.130 120.862 119.914 -0.304 0.000 2.343 444 V HA -0.273 3.862 4.120 0.025 0.000 0.247 444 V C 2.250 178.229 176.094 -0.191 0.000 1.051 444 V CA 1.918 63.910 62.300 -0.515 0.000 1.036 444 V CB -0.884 30.611 31.823 -0.548 0.000 0.654 444 V HN 0.588 nan 8.190 nan 0.000 0.451 445 Q N -0.622 119.107 119.800 -0.119 0.000 2.170 445 Q HA -0.214 4.141 4.340 0.025 0.000 0.203 445 Q C 2.468 178.386 176.000 -0.136 0.000 0.976 445 Q CA 1.514 57.258 55.803 -0.097 0.000 0.858 445 Q CB -0.165 28.533 28.738 -0.067 0.000 0.907 445 Q HN 0.523 nan 8.270 nan 0.000 0.433 446 R N 0.200 120.611 120.500 -0.148 0.000 2.100 446 R HA -0.077 4.278 4.340 0.025 0.000 0.220 446 R C 0.419 176.647 176.300 -0.119 0.000 1.091 446 R CA 1.144 57.133 56.100 -0.186 0.000 0.986 446 R CB 0.471 30.660 30.300 -0.185 0.000 0.888 446 R HN 0.128 nan 8.270 nan 0.000 0.444 447 D N -0.297 120.094 120.400 -0.016 0.000 2.398 447 D HA 0.009 4.664 4.640 0.025 0.000 0.210 447 D C 1.195 177.611 176.300 0.194 0.000 1.094 447 D CA 0.081 54.125 54.000 0.074 0.000 0.839 447 D CB 0.342 41.153 40.800 0.017 0.000 0.963 447 D HN 0.336 nan 8.370 nan 0.000 0.506 448 R N 0.419 121.037 120.500 0.197 0.000 2.293 448 R HA 0.034 4.389 4.340 0.025 0.000 0.219 448 R C 0.717 177.025 176.300 0.014 0.000 1.091 448 R CA 0.803 57.040 56.100 0.229 0.000 1.004 448 R CB -0.241 30.128 30.300 0.114 0.000 0.865 448 R HN -0.089 nan 8.270 nan 0.000 0.469 449 N N 0.296 118.928 118.700 -0.112 0.000 2.336 449 N HA 0.001 4.756 4.740 0.025 0.000 0.189 449 N C -0.517 174.860 175.510 -0.221 0.000 1.113 449 N CA 0.239 53.191 53.050 -0.163 0.000 0.858 449 N CB 0.123 38.494 38.487 -0.193 0.000 0.970 449 N HN 0.281 nan 8.380 nan 0.000 0.471 450 H N 1.337 120.353 119.070 -0.090 0.000 2.742 450 H HA 0.111 4.682 4.556 0.024 0.000 0.302 450 H C -1.199 173.981 175.328 -0.247 0.000 1.069 450 H CA -1.288 54.686 56.048 -0.123 0.000 1.446 450 H CB 1.583 31.305 29.762 -0.066 0.000 1.462 450 H HN 0.059 nan 8.280 nan 0.000 0.499 451 P HA -0.138 nan 4.420 nan 0.000 0.221 451 P C 1.385 178.200 177.300 -0.809 0.000 1.150 451 P CA 0.988 63.727 63.100 -0.601 0.000 0.800 451 P CB 0.311 31.441 31.700 -0.950 0.000 0.787 452 S N -0.642 114.694 115.700 -0.606 0.000 2.419 452 S HA -0.046 4.439 4.470 0.025 0.000 0.233 452 S C 1.134 175.710 174.600 -0.040 0.000 1.016 452 S CA 0.388 58.426 58.200 -0.270 0.000 0.974 452 S CB -1.544 61.655 63.200 -0.002 0.000 0.786 452 S HN -0.057 nan 8.310 nan 0.000 0.492 453 V N 3.710 123.571 119.914 -0.087 0.000 2.446 453 V HA 0.210 4.345 4.120 0.025 0.000 0.276 453 V C 1.139 177.099 176.094 -0.223 0.000 1.030 453 V CA 0.056 62.269 62.300 -0.145 0.000 1.033 453 V CB 0.326 31.969 31.823 -0.300 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.682 123.178 120.570 -0.123 0.000 4.187 454 I HA 0.506 4.691 4.170 0.025 0.000 0.326 454 I C 0.386 176.391 176.117 -0.188 0.000 1.302 454 I CA 0.541 61.775 61.300 -0.110 0.000 1.196 454 I CB 0.467 38.485 38.000 0.030 0.000 1.095 454 I HN 0.325 nan 8.210 nan 0.000 0.411 455 I N 0.072 120.502 120.570 -0.233 0.000 2.752 455 I HA 0.353 4.538 4.170 0.025 0.000 0.295 455 I C -1.564 174.429 176.117 -0.208 0.000 1.219 455 I CA -0.420 60.780 61.300 -0.166 0.000 1.030 455 I CB 2.100 40.100 38.000 -0.001 0.000 1.259 455 I HN 0.017 nan 8.210 nan 0.000 0.423 456 W N 3.777 125.125 121.300 0.079 0.000 2.438 456 W HA 0.633 5.306 4.660 0.021 0.000 0.324 456 W C 0.385 176.968 176.519 0.106 0.000 1.119 456 W CA -0.599 56.799 57.345 0.088 0.000 1.221 456 W CB 1.655 31.162 29.460 0.079 0.000 1.253 456 W HN 0.314 nan 8.180 nan 0.000 0.555 457 S N 2.692 118.626 115.700 0.390 0.000 2.521 457 S HA 0.395 4.879 4.470 0.025 0.000 0.295 457 S C 0.143 174.912 174.600 0.282 0.000 1.098 457 S CA -0.719 57.657 58.200 0.293 0.000 0.999 457 S CB 0.803 64.130 63.200 0.211 0.000 1.034 457 S HN 0.572 nan 8.310 nan 0.000 0.483 458 L N 4.184 125.565 121.223 0.264 0.000 2.610 458 L HA 0.353 4.708 4.340 0.025 0.000 0.232 458 L C 1.440 178.370 176.870 0.100 0.000 1.149 458 L CA 0.521 55.435 54.840 0.122 0.000 0.872 458 L CB -1.217 40.808 42.059 -0.057 0.000 0.992 458 L HN 1.005 nan 8.230 nan 0.000 0.447 459 G N 0.043 108.989 108.800 0.244 0.000 2.265 459 G HA2 -0.132 3.843 3.960 0.025 0.000 0.246 459 G HA3 -0.132 3.843 3.960 0.025 0.000 0.246 459 G C -1.595 173.509 174.900 0.340 0.000 1.299 459 G CA -0.461 44.793 45.100 0.257 0.000 1.117 459 G HN 0.199 nan 8.290 nan 0.000 0.485 460 N N 0.132 118.980 118.700 0.247 0.000 2.405 460 N HA 0.466 5.220 4.740 0.025 0.000 0.274 460 N C -0.511 174.971 175.510 -0.046 0.000 1.170 460 N CA 0.153 53.215 53.050 0.019 0.000 0.848 460 N CB 1.580 39.819 38.487 -0.413 0.000 1.629 460 N HN 0.904 nan 8.380 nan 0.000 0.481 461 E N 0.669 120.748 120.200 -0.202 0.000 2.160 461 E HA -0.178 4.186 4.350 0.025 0.000 0.180 461 E C -0.837 175.690 176.600 -0.122 0.000 1.452 461 E CA 0.797 56.993 56.400 -0.340 0.000 0.683 461 E CB -1.273 27.985 29.700 -0.737 0.000 1.072 461 E HN 0.431 nan 8.360 nan 0.000 0.332 462 S N 0.080 115.849 115.700 0.115 0.000 2.941 462 S HA 0.404 4.889 4.470 0.025 0.000 0.251 462 S C 0.604 175.372 174.600 0.280 0.000 1.029 462 S CA -0.139 58.184 58.200 0.205 0.000 1.062 462 S CB 1.387 64.769 63.200 0.304 0.000 0.977 462 S HN 0.852 nan 8.310 nan 0.000 0.552 463 G N 1.971 110.867 108.800 0.161 0.000 2.601 463 G HA2 -0.261 3.714 3.960 0.025 0.000 0.261 463 G HA3 -0.261 3.714 3.960 0.025 0.000 0.261 463 G C -0.520 174.589 174.900 0.348 0.000 1.289 463 G CA -0.117 45.083 45.100 0.168 0.000 0.920 463 G HN 0.658 nan 8.290 nan 0.000 0.571 464 H N 0.271 119.463 119.070 0.204 0.000 2.823 464 H HA 0.580 5.151 4.556 0.024 0.000 0.332 464 H C 0.328 175.831 175.328 0.292 0.000 0.980 464 H CA -0.181 56.031 56.048 0.273 0.000 1.286 464 H CB 0.815 30.668 29.762 0.151 0.000 1.541 464 H HN 1.073 nan 8.280 nan 0.000 0.521 465 G N 1.441 110.453 108.800 0.353 0.000 2.714 465 G HA2 0.449 4.424 3.960 0.025 0.000 0.292 465 G HA3 0.449 4.424 3.960 0.025 0.000 0.292 465 G C 0.527 175.372 174.900 -0.092 0.000 1.308 465 G CA -0.178 44.901 45.100 -0.034 0.000 0.964 465 G HN 0.680 nan 8.290 nan 0.000 0.484 466 A N 0.119 122.876 122.820 -0.105 0.000 2.024 466 A HA -0.088 4.246 4.320 0.025 0.000 0.220 466 A C 2.111 179.697 177.584 0.003 0.000 1.164 466 A CA 1.903 53.916 52.037 -0.040 0.000 0.643 466 A CB -0.432 18.551 19.000 -0.028 0.000 0.806 466 A HN 0.524 nan 8.150 nan 0.000 0.451 467 N N -0.249 118.414 118.700 -0.061 0.000 2.166 467 N HA -0.139 4.616 4.740 0.025 0.000 0.186 467 N C 1.393 176.860 175.510 -0.072 0.000 1.019 467 N CA 1.708 54.704 53.050 -0.091 0.000 0.856 467 N CB -0.676 37.715 38.487 -0.159 0.000 0.993 467 N HN 0.783 nan 8.380 nan 0.000 0.426 468 H N 0.274 119.359 119.070 0.026 0.000 2.389 468 H HA -0.016 4.555 4.556 0.024 0.000 0.299 468 H C 1.212 176.621 175.328 0.135 0.000 1.081 468 H CA 1.188 57.250 56.048 0.023 0.000 1.345 468 H CB 0.189 29.981 29.762 0.051 0.000 1.393 468 H HN 0.190 nan 8.280 nan 0.000 0.520 469 D N 0.308 120.891 120.400 0.305 0.000 2.117 469 D HA -0.107 4.548 4.640 0.025 0.000 0.198 469 D C 2.307 178.762 176.300 0.258 0.000 0.982 469 D CA 1.100 55.263 54.000 0.272 0.000 0.828 469 D CB -0.340 40.592 40.800 0.220 0.000 0.967 469 D HN 0.419 nan 8.370 nan 0.000 0.464 470 A N 0.913 123.839 122.820 0.176 0.000 1.877 470 A HA -0.131 4.204 4.320 0.025 0.000 0.216 470 A C 2.402 180.101 177.584 0.191 0.000 1.186 470 A CA 1.007 53.136 52.037 0.152 0.000 0.620 470 A CB -0.777 18.271 19.000 0.080 0.000 0.822 470 A HN 0.203 nan 8.150 nan 0.000 0.443 471 L N -2.176 119.146 121.223 0.164 0.000 2.156 471 L HA -0.124 4.231 4.340 0.025 0.000 0.208 471 L C 2.558 179.578 176.870 0.248 0.000 1.095 471 L CA 1.407 56.345 54.840 0.164 0.000 0.770 471 L CB -0.665 41.419 42.059 0.042 0.000 0.914 471 L HN 0.609 nan 8.230 nan 0.000 0.439 472 Y N 1.369 121.757 120.300 0.147 0.000 2.128 472 Y HA -0.321 4.239 4.550 0.017 0.000 0.284 472 Y C 2.817 178.801 175.900 0.140 0.000 1.154 472 Y CA 1.804 59.991 58.100 0.144 0.000 1.149 472 Y CB -0.129 38.414 38.460 0.138 0.000 0.976 472 Y HN -0.031 nan 8.280 nan 0.000 0.505 473 R N -0.185 120.452 120.500 0.228 0.000 2.115 473 R HA -0.178 4.177 4.340 0.025 0.000 0.230 473 R C 2.018 178.334 176.300 0.027 0.000 1.111 473 R CA 1.735 57.879 56.100 0.073 0.000 0.976 473 R CB -1.379 29.041 30.300 0.200 0.000 0.870 473 R HN 0.649 nan 8.270 nan 0.000 0.445 474 W N 0.462 121.728 121.300 -0.056 0.000 2.335 474 W HA -0.151 4.525 4.660 0.026 0.000 0.311 474 W C 1.534 177.966 176.519 -0.146 0.000 1.213 474 W CA 1.983 59.278 57.345 -0.083 0.000 1.274 474 W CB -0.212 29.203 29.460 -0.076 0.000 1.148 474 W HN 0.081 nan 8.180 nan 0.000 0.498 475 I N 0.844 121.427 120.570 0.023 0.000 2.179 475 I HA -0.339 3.846 4.170 0.025 0.000 0.242 475 I C 2.447 178.370 176.117 -0.324 0.000 1.088 475 I CA 1.341 62.495 61.300 -0.244 0.000 1.357 475 I CB -0.711 37.207 38.000 -0.136 0.000 1.051 475 I HN -0.124 nan 8.210 nan 0.000 0.409 476 K N 0.315 120.531 120.400 -0.308 0.000 2.152 476 K HA -0.172 4.163 4.320 0.025 0.000 0.206 476 K C 2.277 178.738 176.600 -0.231 0.000 1.048 476 K CA 1.509 57.633 56.287 -0.271 0.000 0.933 476 K CB -0.520 31.773 32.500 -0.345 0.000 0.721 476 K HN 0.268 nan 8.250 nan 0.000 0.447 477 S N 1.010 116.540 115.700 -0.284 0.000 2.371 477 S HA -0.090 4.395 4.470 0.025 0.000 0.224 477 S C 2.067 176.448 174.600 -0.366 0.000 1.029 477 S CA 1.240 59.272 58.200 -0.281 0.000 0.978 477 S CB -0.146 62.895 63.200 -0.266 0.000 0.833 477 S HN 0.192 nan 8.310 nan 0.000 0.466 478 V N -0.682 118.875 119.914 -0.595 0.000 2.591 478 V HA 0.239 4.374 4.120 0.025 0.000 0.249 478 V C 0.332 176.194 176.094 -0.387 0.000 1.053 478 V CA 1.557 63.495 62.300 -0.605 0.000 1.068 478 V CB -0.385 30.832 31.823 -1.010 0.000 0.689 478 V HN 0.456 nan 8.190 nan 0.000 0.462 479 D N 0.278 120.499 120.400 -0.298 0.000 2.364 479 D HA 0.403 5.058 4.640 0.025 0.000 0.251 479 D C -2.325 173.959 176.300 -0.026 0.000 1.282 479 D CA -1.870 52.063 54.000 -0.112 0.000 0.927 479 D CB 1.717 42.534 40.800 0.028 0.000 1.267 479 D HN 0.173 nan 8.370 nan 0.000 0.531 480 P HA -0.021 nan 4.420 nan 0.000 0.237 480 P C 1.207 178.522 177.300 0.026 0.000 1.178 480 P CA 0.442 63.532 63.100 -0.016 0.000 0.766 480 P CB 0.162 31.848 31.700 -0.024 0.000 0.876 481 S N -1.235 114.489 115.700 0.040 0.000 2.515 481 S HA 0.024 4.508 4.470 0.025 0.000 0.231 481 S C 0.880 175.503 174.600 0.039 0.000 0.987 481 S CA 0.112 58.341 58.200 0.047 0.000 0.936 481 S CB -0.410 62.813 63.200 0.038 0.000 0.766 481 S HN 0.067 nan 8.310 nan 0.000 0.528 482 R N 1.012 121.546 120.500 0.058 0.000 2.621 482 R HA 0.537 4.892 4.340 0.025 0.000 0.284 482 R C -3.213 173.129 176.300 0.070 0.000 0.998 482 R CA -2.242 53.856 56.100 -0.002 0.000 0.895 482 R CB 1.603 31.785 30.300 -0.197 0.000 1.195 482 R HN 0.141 nan 8.270 nan 0.000 0.450 483 P HA 0.087 nan 4.420 nan 0.000 0.272 483 P C -0.833 176.561 177.300 0.157 0.000 1.240 483 P CA -0.388 62.767 63.100 0.091 0.000 0.791 483 P CB 0.657 32.399 31.700 0.069 0.000 0.978 484 V N 2.012 122.043 119.914 0.196 0.000 2.495 484 V HA 0.396 4.530 4.120 0.025 0.000 0.298 484 V C 0.184 176.455 176.094 0.295 0.000 1.031 484 V CA -0.310 62.154 62.300 0.273 0.000 0.871 484 V CB 1.221 33.165 31.823 0.202 0.000 0.988 484 V HN 0.610 nan 8.190 nan 0.000 0.432 485 Q N 3.759 123.715 119.800 0.261 0.000 2.458 485 Q HA 0.819 5.174 4.340 0.025 0.000 0.282 485 Q C -1.807 174.354 176.000 0.268 0.000 1.106 485 Q CA -0.943 54.983 55.803 0.205 0.000 0.814 485 Q CB 3.001 31.806 28.738 0.112 0.000 1.425 485 Q HN 0.628 nan 8.270 nan 0.000 0.437 486 Y N -0.012 120.294 120.300 0.010 0.000 2.357 486 Y HA 0.131 4.695 4.550 0.023 0.000 0.319 486 Y C -0.644 175.189 175.900 -0.111 0.000 1.225 486 Y CA -0.746 57.324 58.100 -0.051 0.000 1.095 486 Y CB 1.946 40.359 38.460 -0.079 0.000 1.302 486 Y HN 0.956 nan 8.280 nan 0.000 0.429 487 E N 3.353 123.051 120.200 -0.837 0.000 2.385 487 E HA 0.143 4.508 4.350 0.025 0.000 0.194 487 E C 0.628 176.775 176.600 -0.755 0.000 1.013 487 E CA 0.685 56.711 56.400 -0.624 0.000 0.866 487 E CB 0.299 29.759 29.700 -0.401 0.000 0.832 487 E HN 0.879 nan 8.360 nan 0.000 0.500 488 G N -0.224 107.721 108.800 -1.426 0.000 2.554 488 G HA2 0.265 4.239 3.960 0.025 0.000 0.238 488 G HA3 0.265 4.239 3.960 0.025 0.000 0.238 488 G C 0.777 175.505 174.900 -0.287 0.000 1.259 488 G CA 0.233 44.903 45.100 -0.717 0.000 0.843 488 G HN 0.313 nan 8.290 nan 0.000 0.582 489 G N -0.699 108.057 108.800 -0.075 0.000 2.147 489 G HA2 0.236 4.211 3.960 0.025 0.000 0.244 489 G HA3 0.236 4.211 3.960 0.025 0.000 0.244 489 G C 1.256 176.173 174.900 0.029 0.000 1.005 489 G CA 0.964 46.095 45.100 0.051 0.000 0.713 489 G HN 2.620 nan 8.290 nan 0.000 0.515 490 G N -1.455 107.347 108.800 0.004 0.000 2.192 490 G HA2 0.430 4.404 3.960 0.025 0.000 0.193 490 G HA3 0.430 4.404 3.960 0.025 0.000 0.193 490 G C 1.015 176.050 174.900 0.225 0.000 0.999 490 G CA 1.323 46.494 45.100 0.118 0.000 0.659 490 G HN 2.375 nan 8.290 nan 0.000 0.503 491 A N -0.382 122.445 122.820 0.012 0.000 3.661 491 A HA -0.126 4.209 4.320 0.025 0.000 0.269 491 A C 1.091 178.616 177.584 -0.099 0.000 1.056 491 A CA 2.602 54.585 52.037 -0.090 0.000 1.159 491 A CB -1.756 17.158 19.000 -0.143 0.000 1.105 491 A HN 2.110 nan 8.150 nan 0.000 0.907 492 D N -0.709 119.723 120.400 0.053 0.000 2.760 492 D HA 0.329 4.984 4.640 0.025 0.000 0.314 492 D C 0.439 176.753 176.300 0.022 0.000 1.464 492 D CA 0.838 54.875 54.000 0.062 0.000 0.797 492 D CB -1.146 39.842 40.800 0.312 0.000 1.149 492 D HN 0.819 nan 8.370 nan 0.000 0.455 493 T N -2.393 112.108 114.554 -0.088 0.000 2.689 493 T HA 0.190 4.555 4.350 0.025 0.000 0.308 493 T C 1.574 176.155 174.700 -0.199 0.000 1.021 493 T CA 0.450 62.441 62.100 -0.182 0.000 0.973 493 T CB 0.656 69.188 68.868 -0.560 0.000 1.113 493 T HN 0.092 nan 8.240 nan 0.000 0.522 494 T N -2.771 111.662 114.554 -0.201 0.000 3.160 494 T HA 0.281 4.646 4.350 0.025 0.000 0.257 494 T C 1.415 175.848 174.700 -0.445 0.000 1.147 494 T CA 0.167 62.145 62.100 -0.202 0.000 1.064 494 T CB -0.473 68.367 68.868 -0.047 0.000 0.949 494 T HN 0.824 nan 8.240 nan 0.000 0.526 495 A N 0.395 122.943 122.820 -0.452 0.000 2.500 495 A HA 0.525 4.860 4.320 0.025 0.000 0.267 495 A C 0.780 178.196 177.584 -0.280 0.000 1.290 495 A CA -0.342 51.409 52.037 -0.476 0.000 0.928 495 A CB 0.177 19.120 19.000 -0.095 0.000 1.066 495 A HN 0.422 nan 8.150 nan 0.000 0.516 496 T N -1.290 113.109 114.554 -0.258 0.000 2.916 496 T HA 0.363 4.728 4.350 0.025 0.000 0.298 496 T C -0.590 174.136 174.700 0.043 0.000 1.031 496 T CA -0.438 61.662 62.100 0.001 0.000 0.993 496 T CB 1.224 70.082 68.868 -0.016 0.000 1.045 496 T HN 0.094 nan 8.240 nan 0.000 0.454 497 D N 2.919 123.427 120.400 0.180 0.000 2.348 497 D HA 0.242 4.897 4.640 0.025 0.000 0.211 497 D C 0.374 176.708 176.300 0.057 0.000 0.998 497 D CA 0.724 54.812 54.000 0.146 0.000 0.873 497 D CB 0.454 41.364 40.800 0.183 0.000 0.925 497 D HN 0.539 nan 8.370 nan 0.000 0.524 498 I N 1.006 121.592 120.570 0.027 0.000 2.498 498 I HA 0.248 4.433 4.170 0.025 0.000 0.290 498 I C -0.131 175.926 176.117 -0.102 0.000 1.032 498 I CA -0.887 60.394 61.300 -0.032 0.000 1.073 498 I CB 2.801 40.794 38.000 -0.012 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.426 499 I N 5.796 126.261 120.570 -0.175 0.000 2.494 499 I HA 0.017 4.202 4.170 0.025 0.000 0.289 499 I C 0.264 176.174 176.117 -0.345 0.000 1.106 499 I CA 0.098 61.197 61.300 -0.335 0.000 1.369 499 I CB 0.086 37.783 38.000 -0.503 0.000 1.410 499 I HN 0.693 nan 8.210 nan 0.000 0.523 500 C N 5.822 124.934 119.300 -0.313 0.000 3.401 500 C HA 0.471 4.946 4.460 0.025 0.000 0.204 500 C C -2.099 172.757 174.990 -0.224 0.000 1.522 500 C CA -2.290 56.596 59.018 -0.219 0.000 1.409 500 C CB -0.917 26.755 27.740 -0.113 0.000 1.967 500 C HN 0.419 nan 8.230 nan 0.000 0.496 501 P HA 0.276 nan 4.420 nan 0.000 0.272 501 P C -0.409 176.839 177.300 -0.086 0.000 1.240 501 P CA 0.391 63.386 63.100 -0.175 0.000 0.791 501 P CB 0.756 32.368 31.700 -0.146 0.000 0.978 502 M N 0.134 119.705 119.600 -0.048 0.000 2.181 502 M HA 0.432 4.926 4.480 0.025 0.000 0.323 502 M C -0.764 175.521 176.300 -0.025 0.000 1.004 502 M CA -0.704 54.470 55.300 -0.210 0.000 0.941 502 M CB 1.090 33.497 32.600 -0.322 0.000 1.579 502 M HN 0.323 nan 8.290 nan 0.000 0.427 503 Y N -0.240 120.229 120.300 0.282 0.000 4.177 503 Y HA -0.215 4.350 4.550 0.026 0.000 0.227 503 Y C 0.506 176.587 175.900 0.302 0.000 1.154 503 Y CA 0.428 58.704 58.100 0.292 0.000 1.887 503 Y CB -2.269 36.339 38.460 0.248 0.000 1.594 503 Y HN 0.967 nan 8.280 nan 0.000 0.668 504 A N 1.150 124.195 122.820 0.375 0.000 2.440 504 A HA 0.535 4.870 4.320 0.025 0.000 0.251 504 A C 0.769 178.583 177.584 0.385 0.000 1.089 504 A CA -0.451 51.815 52.037 0.382 0.000 0.779 504 A CB 0.373 19.630 19.000 0.429 0.000 1.022 504 A HN 0.426 nan 8.150 nan 0.000 0.492 505 R N 1.503 122.159 120.500 0.261 0.000 2.649 505 R HA 0.280 4.635 4.340 0.025 0.000 0.270 505 R C 1.038 177.317 176.300 -0.034 0.000 1.105 505 R CA -0.621 55.561 56.100 0.138 0.000 1.193 505 R CB 0.456 30.800 30.300 0.073 0.000 1.120 505 R HN 0.503 nan 8.270 nan 0.000 0.561 506 V N 0.675 120.403 119.914 -0.310 0.000 2.283 506 V HA -0.193 3.942 4.120 0.025 0.000 0.243 506 V C 1.054 177.033 176.094 -0.192 0.000 1.039 506 V CA 1.866 63.940 62.300 -0.377 0.000 1.016 506 V CB -0.251 31.220 31.823 -0.587 0.000 0.650 506 V HN 0.737 nan 8.190 nan 0.000 0.449 507 D N -1.336 118.983 120.400 -0.135 0.000 2.454 507 D HA 0.084 4.739 4.640 0.025 0.000 0.219 507 D C 0.948 177.235 176.300 -0.023 0.000 1.081 507 D CA 0.074 54.031 54.000 -0.072 0.000 0.867 507 D CB 0.638 41.400 40.800 -0.064 0.000 1.054 507 D HN 0.479 nan 8.370 nan 0.000 0.500 508 E N 2.014 122.205 120.200 -0.016 0.000 2.167 508 E HA 0.097 4.462 4.350 0.025 0.000 0.284 508 E C -0.830 175.775 176.600 0.008 0.000 1.016 508 E CA -0.576 55.823 56.400 -0.002 0.000 0.817 508 E CB 0.874 30.571 29.700 -0.005 0.000 1.080 508 E HN -0.179 nan 8.360 nan 0.000 0.397 509 D N 3.735 124.143 120.400 0.013 0.000 2.304 509 D HA 0.111 4.766 4.640 0.025 0.000 0.247 509 D C -0.500 175.697 176.300 -0.171 0.000 1.089 509 D CA 0.225 54.228 54.000 0.004 0.000 0.910 509 D CB 1.134 42.006 40.800 0.120 0.000 1.199 509 D HN 0.436 nan 8.370 nan 0.000 0.426 510 Q N 1.662 121.236 119.800 -0.376 0.000 2.798 510 Q HA 0.236 4.591 4.340 0.025 0.000 0.250 510 Q C -2.216 173.157 176.000 -1.045 0.000 1.006 510 Q CA -1.525 53.843 55.803 -0.724 0.000 0.759 510 Q CB 2.270 30.538 28.738 -0.785 0.000 1.201 510 Q HN 0.187 nan 8.270 nan 0.000 0.486 511 P HA 0.022 nan 4.420 nan 0.000 0.226 511 P C -0.635 176.364 177.300 -0.501 0.000 1.783 511 P CA -0.126 62.535 63.100 -0.731 0.000 0.980 511 P CB -0.631 30.845 31.700 -0.374 0.000 1.967 512 F N 2.134 121.892 119.950 -0.320 0.000 2.553 512 F HA 0.138 4.679 4.527 0.024 0.000 0.356 512 F C -1.173 174.510 175.800 -0.195 0.000 1.142 512 F CA -2.219 55.658 58.000 -0.205 0.000 1.322 512 F CB -0.705 38.195 39.000 -0.167 0.000 1.126 512 F HN 0.090 nan 8.300 nan 0.000 0.599 513 P HA 0.143 nan 4.420 nan 0.000 0.271 513 P C 0.334 177.642 177.300 0.013 0.000 1.216 513 P CA 0.858 63.969 63.100 0.018 0.000 0.776 513 P CB 1.233 32.944 31.700 0.017 0.000 0.881 514 A N 2.568 125.391 122.820 0.004 0.000 2.617 514 A HA -0.246 4.089 4.320 0.025 0.000 0.236 514 A C 0.725 178.314 177.584 0.009 0.000 0.551 514 A CA 2.024 54.069 52.037 0.014 0.000 1.144 514 A CB -2.724 16.283 19.000 0.012 0.000 1.384 514 A HN 0.698 nan 8.150 nan 0.000 0.694 515 V N -2.777 117.133 119.914 -0.007 0.000 2.454 515 V HA 0.565 4.699 4.120 0.025 0.000 0.255 515 V C -2.298 173.768 176.094 -0.046 0.000 1.009 515 V CA -1.328 60.968 62.300 -0.007 0.000 1.149 515 V CB 0.549 32.372 31.823 -0.000 0.000 1.418 515 V HN 0.516 nan 8.190 nan 0.000 0.567 516 P HA 0.209 nan 4.420 nan 0.000 0.269 516 P C -0.566 176.279 177.300 -0.757 0.000 1.215 516 P CA 0.193 62.881 63.100 -0.687 0.000 0.780 516 P CB 1.022 31.799 31.700 -1.538 0.000 0.898 517 K N 2.577 122.620 120.400 -0.594 0.000 2.419 517 K HA 0.194 4.529 4.320 0.025 0.000 0.244 517 K C -0.371 175.965 176.600 -0.440 0.000 1.045 517 K CA -0.300 55.840 56.287 -0.245 0.000 1.004 517 K CB 0.340 32.967 32.500 0.211 0.000 1.376 517 K HN 0.471 nan 8.250 nan 0.000 0.460 518 W N 1.214 122.215 121.300 -0.498 0.000 2.093 518 W HA 0.057 4.732 4.660 0.024 0.000 0.352 518 W C 1.328 177.881 176.519 0.056 0.000 1.294 518 W CA -0.471 56.683 57.345 -0.317 0.000 1.290 518 W CB 0.405 29.500 29.460 -0.608 0.000 1.149 518 W HN 0.354 nan 8.180 nan 0.000 0.606 519 S N 2.681 118.556 115.700 0.292 0.000 2.558 519 S HA -0.053 4.432 4.470 0.025 0.000 0.288 519 S C 1.130 175.896 174.600 0.277 0.000 1.318 519 S CA -0.209 58.103 58.200 0.187 0.000 1.056 519 S CB 0.190 63.447 63.200 0.094 0.000 0.853 519 S HN 0.517 nan 8.310 nan 0.000 0.505 520 I N 1.822 122.509 120.570 0.195 0.000 2.394 520 I HA -0.105 4.079 4.170 0.025 0.000 0.251 520 I C 2.047 178.198 176.117 0.057 0.000 1.136 520 I CA 1.185 62.596 61.300 0.184 0.000 1.425 520 I CB -0.399 37.648 38.000 0.080 0.000 1.079 520 I HN 0.589 nan 8.210 nan 0.000 0.425 521 K N 1.543 121.879 120.400 -0.107 0.000 2.097 521 K HA -0.157 4.178 4.320 0.025 0.000 0.206 521 K C 2.309 178.918 176.600 0.015 0.000 1.049 521 K CA 1.692 57.840 56.287 -0.232 0.000 0.933 521 K CB -0.180 32.117 32.500 -0.338 0.000 0.717 521 K HN 0.379 nan 8.250 nan 0.000 0.442 522 K N -0.023 120.406 120.400 0.049 0.000 2.155 522 K HA -0.160 4.175 4.320 0.025 0.000 0.203 522 K C 1.851 178.488 176.600 0.061 0.000 1.052 522 K CA 0.755 57.057 56.287 0.025 0.000 0.948 522 K CB -0.063 32.416 32.500 -0.035 0.000 0.728 522 K HN 0.213 nan 8.250 nan 0.000 0.448 523 W N 2.257 123.545 121.300 -0.021 0.000 2.335 523 W HA -0.195 4.478 4.660 0.022 0.000 0.311 523 W C 1.643 178.143 176.519 -0.032 0.000 1.213 523 W CA 1.132 58.473 57.345 -0.006 0.000 1.274 523 W CB -0.721 28.819 29.460 0.134 0.000 1.148 523 W HN 0.076 nan 8.180 nan 0.000 0.498 524 L N 0.870 122.253 121.223 0.266 0.000 2.089 524 L HA -0.283 4.072 4.340 0.025 0.000 0.213 524 L C 2.253 179.191 176.870 0.114 0.000 1.079 524 L CA 2.173 57.102 54.840 0.149 0.000 0.758 524 L CB -1.042 41.093 42.059 0.125 0.000 0.891 524 L HN 0.015 nan 8.230 nan 0.000 0.433 525 S N -1.512 114.239 115.700 0.085 0.000 2.572 525 S HA 0.264 4.749 4.470 0.025 0.000 0.228 525 S C 0.546 175.133 174.600 -0.021 0.000 0.963 525 S CA -0.548 57.671 58.200 0.033 0.000 0.939 525 S CB -0.438 62.779 63.200 0.029 0.000 0.804 525 S HN 0.156 nan 8.310 nan 0.000 0.480 526 L N 1.965 123.167 121.223 -0.036 0.000 2.499 526 L HA 0.218 4.573 4.340 0.025 0.000 0.281 526 L C -2.172 174.664 176.870 -0.057 0.000 1.234 526 L CA -1.698 53.069 54.840 -0.122 0.000 0.839 526 L CB -0.351 41.610 42.059 -0.163 0.000 1.104 526 L HN 0.030 nan 8.230 nan 0.000 0.500 527 P HA -0.042 nan 4.420 nan 0.000 0.260 527 P C 0.764 178.056 177.300 -0.013 0.000 1.172 527 P CA 1.117 64.192 63.100 -0.042 0.000 0.760 527 P CB 0.485 32.155 31.700 -0.050 0.000 0.773 528 G N 1.837 110.636 108.800 -0.001 0.000 2.245 528 G HA2 -0.290 3.684 3.960 0.025 0.000 0.264 528 G HA3 -0.290 3.684 3.960 0.025 0.000 0.264 528 G C 0.287 175.203 174.900 0.026 0.000 0.985 528 G CA 0.242 45.349 45.100 0.013 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.536 529 E N 1.091 121.311 120.200 0.034 0.000 2.338 529 E HA 0.577 4.942 4.350 0.025 0.000 0.272 529 E C 1.367 177.992 176.600 0.042 0.000 1.029 529 E CA 0.736 57.169 56.400 0.056 0.000 0.872 529 E CB 0.735 30.494 29.700 0.099 0.000 1.015 529 E HN 0.534 nan 8.360 nan 0.000 0.417 530 T N 0.669 115.244 114.554 0.035 0.000 3.130 530 T HA 0.329 4.694 4.350 0.025 0.000 0.288 530 T C 0.582 175.291 174.700 0.016 0.000 0.936 530 T CA -0.470 61.645 62.100 0.025 0.000 0.897 530 T CB 0.096 68.978 68.868 0.022 0.000 1.178 530 T HN 0.245 nan 8.240 nan 0.000 0.543 531 R N 2.259 122.765 120.500 0.011 0.000 2.637 531 R HA 0.463 4.818 4.340 0.025 0.000 0.269 531 R C -2.548 173.733 176.300 -0.031 0.000 1.089 531 R CA -1.802 54.294 56.100 -0.008 0.000 1.177 531 R CB 0.030 30.320 30.300 -0.016 0.000 1.091 531 R HN 0.215 nan 8.270 nan 0.000 0.540 532 P HA 0.102 nan 4.420 nan 0.000 0.276 532 P C -1.089 176.142 177.300 -0.116 0.000 1.244 532 P CA -0.158 62.900 63.100 -0.069 0.000 0.801 532 P CB 0.661 32.318 31.700 -0.071 0.000 1.006 533 L N 2.342 123.475 121.223 -0.149 0.000 2.349 533 L HA 0.571 4.926 4.340 0.025 0.000 0.278 533 L C -1.085 175.639 176.870 -0.242 0.000 0.996 533 L CA -0.653 54.059 54.840 -0.214 0.000 0.825 533 L CB 0.563 42.485 42.059 -0.228 0.000 1.243 533 L HN 0.228 nan 8.230 nan 0.000 0.412 534 I N 5.657 126.093 120.570 -0.223 0.000 2.468 534 I HA 0.265 4.450 4.170 0.025 0.000 0.285 534 I C -0.706 175.319 176.117 -0.152 0.000 1.039 534 I CA -0.599 60.555 61.300 -0.242 0.000 1.074 534 I CB 1.986 39.903 38.000 -0.138 0.000 1.228 534 I HN 0.489 nan 8.210 nan 0.000 0.436 535 L N 5.739 126.844 121.223 -0.198 0.000 2.455 535 L HA 0.027 4.381 4.340 0.025 0.000 0.272 535 L C 1.470 178.431 176.870 0.152 0.000 1.174 535 L CA -0.104 54.699 54.840 -0.063 0.000 0.869 535 L CB 0.621 42.634 42.059 -0.077 0.000 1.130 535 L HN 0.851 nan 8.230 nan 0.000 0.474 536 C N 0.775 120.138 119.300 0.105 0.000 2.448 536 C HA 0.105 4.580 4.460 0.025 0.000 0.280 536 C C 0.730 175.882 174.990 0.269 0.000 1.398 536 C CA -0.147 58.980 59.018 0.181 0.000 1.774 536 C CB -0.947 26.810 27.740 0.027 0.000 1.888 536 C HN 0.814 nan 8.230 nan 0.000 0.519 537 Q N -0.581 119.316 119.800 0.161 0.000 2.295 537 Q HA 0.620 4.974 4.340 0.025 0.000 0.268 537 Q C -1.485 174.536 176.000 0.036 0.000 1.010 537 Q CA -0.352 55.557 55.803 0.177 0.000 0.856 537 Q CB 2.406 31.059 28.738 -0.141 0.000 1.349 537 Q HN 0.754 nan 8.270 nan 0.000 0.412 538 Y N -0.342 120.003 120.300 0.074 0.000 2.624 538 Y HA 0.807 5.373 4.550 0.026 0.000 0.334 538 Y C -0.653 175.425 175.900 0.296 0.000 1.155 538 Y CA -0.634 57.493 58.100 0.045 0.000 1.046 538 Y CB 0.885 39.203 38.460 -0.237 0.000 1.316 538 Y HN 0.962 nan 8.280 nan 0.000 0.457 539 A N 1.445 124.372 122.820 0.177 0.000 3.938 539 A HA 0.011 4.345 4.320 0.025 0.000 0.617 539 A C -1.282 176.562 177.584 0.433 0.000 0.745 539 A CA 0.635 52.796 52.037 0.207 0.000 0.311 539 A CB -1.384 17.660 19.000 0.074 0.000 3.551 539 A HN 1.755 nan 8.150 nan 0.000 0.519 540 H N 0.119 119.314 119.070 0.209 0.000 3.198 540 H HA 0.504 5.075 4.556 0.024 0.000 0.317 540 H C 0.006 175.392 175.328 0.096 0.000 1.178 540 H CA 0.307 56.524 56.048 0.282 0.000 1.609 540 H CB 0.680 30.474 29.762 0.052 0.000 1.819 540 H HN 1.654 nan 8.280 nan 0.000 0.533 541 A N 6.239 128.987 122.820 -0.121 0.000 3.033 541 A HA 0.139 4.474 4.320 0.025 0.000 0.250 541 A C 0.670 178.058 177.584 -0.328 0.000 1.633 541 A CA -0.366 51.541 52.037 -0.216 0.000 1.290 541 A CB -0.739 18.128 19.000 -0.223 0.000 1.048 541 A HN 0.695 nan 8.150 nan 0.000 0.648 542 M N 1.588 121.019 119.600 -0.281 0.000 2.084 542 M HA 0.481 4.976 4.480 0.025 0.000 0.351 542 M C 0.838 176.901 176.300 -0.395 0.000 1.240 542 M CA 1.148 56.258 55.300 -0.317 0.000 1.083 542 M CB -0.002 32.500 32.600 -0.164 0.000 1.593 542 M HN 0.884 nan 8.290 nan 0.000 0.463 543 G N 4.176 112.660 108.800 -0.526 0.000 2.539 543 G HA2 -0.323 3.652 3.960 0.025 0.000 0.256 543 G HA3 -0.323 3.652 3.960 0.025 0.000 0.256 543 G C -0.383 173.922 174.900 -0.991 0.000 1.233 543 G CA -0.073 44.580 45.100 -0.747 0.000 0.936 543 G HN 0.850 nan 8.290 nan 0.000 0.571 544 N N 1.109 119.140 118.700 -1.114 0.000 2.448 544 N HA 0.520 5.275 4.740 0.025 0.000 0.250 544 N C 0.005 175.224 175.510 -0.485 0.000 1.136 544 N CA 1.033 53.587 53.050 -0.827 0.000 0.953 544 N CB 0.601 38.634 38.487 -0.756 0.000 1.251 544 N HN 0.878 nan 8.380 nan 0.000 0.502 545 S N 2.260 117.750 115.700 -0.350 0.000 2.880 545 S HA 0.624 5.109 4.470 0.025 0.000 0.308 545 S C -0.164 174.345 174.600 -0.151 0.000 1.195 545 S CA -0.339 57.722 58.200 -0.232 0.000 0.866 545 S CB 0.141 63.216 63.200 -0.208 0.000 1.254 545 S HN 0.361 nan 8.310 nan 0.000 0.571 546 L N 0.012 121.191 121.223 -0.073 0.000 4.696 546 L HA -0.048 4.307 4.340 0.025 0.000 0.398 546 L C 0.569 177.477 176.870 0.063 0.000 0.971 546 L CA 0.914 55.744 54.840 -0.016 0.000 1.427 546 L CB -1.775 40.185 42.059 -0.164 0.000 1.965 546 L HN 0.758 nan 8.230 nan 0.000 0.593 547 G N -0.685 108.117 108.800 0.003 0.000 2.343 547 G HA2 0.471 4.446 3.960 0.025 0.000 0.254 547 G HA3 0.471 4.446 3.960 0.025 0.000 0.254 547 G C 1.230 176.173 174.900 0.071 0.000 1.277 547 G CA 0.262 45.343 45.100 -0.032 0.000 0.909 547 G HN 1.386 nan 8.290 nan 0.000 0.502 548 G N 1.740 110.581 108.800 0.069 0.000 2.157 548 G HA2 -0.311 3.664 3.960 0.025 0.000 0.248 548 G HA3 -0.311 3.664 3.960 0.025 0.000 0.248 548 G C 0.956 176.046 174.900 0.316 0.000 0.979 548 G CA 0.690 45.886 45.100 0.160 0.000 0.650 548 G HN 0.764 nan 8.290 nan 0.000 0.529 549 F N 1.715 121.786 119.950 0.201 0.000 2.161 549 F HA 0.141 4.683 4.527 0.025 0.000 0.300 549 F C 2.650 178.668 175.800 0.363 0.000 1.089 549 F CA 2.428 60.628 58.000 0.333 0.000 1.282 549 F CB -0.370 38.771 39.000 0.234 0.000 1.010 549 F HN 0.344 nan 8.300 nan 0.000 0.485 550 A N -0.345 122.661 122.820 0.310 0.000 2.019 550 A HA -0.237 4.098 4.320 0.025 0.000 0.219 550 A C 2.287 179.903 177.584 0.054 0.000 1.164 550 A CA 1.723 53.871 52.037 0.185 0.000 0.644 550 A CB -0.791 18.318 19.000 0.182 0.000 0.805 550 A HN 0.446 nan 8.150 nan 0.000 0.449 551 K N -1.540 118.870 120.400 0.017 0.000 2.097 551 K HA -0.185 4.150 4.320 0.025 0.000 0.206 551 K C 1.711 178.085 176.600 -0.377 0.000 1.049 551 K CA 1.673 57.878 56.287 -0.137 0.000 0.933 551 K CB -0.328 32.094 32.500 -0.130 0.000 0.717 551 K HN 0.577 nan 8.250 nan 0.000 0.442 552 Y N -0.767 119.261 120.300 -0.455 0.000 2.145 552 Y HA -0.256 4.309 4.550 0.024 0.000 0.286 552 Y C 2.029 176.974 175.900 -1.590 0.000 1.145 552 Y CA 1.669 59.126 58.100 -1.071 0.000 1.148 552 Y CB -0.325 37.456 38.460 -1.132 0.000 0.981 552 Y HN 0.186 nan 8.280 nan 0.000 0.507 553 W N -0.080 120.792 121.300 -0.714 0.000 2.363 553 W HA -0.206 4.470 4.660 0.026 0.000 0.296 553 W C 2.618 178.961 176.519 -0.293 0.000 1.212 553 W CA 1.496 58.550 57.345 -0.485 0.000 1.260 553 W CB -0.580 28.699 29.460 -0.303 0.000 1.131 553 W HN 0.053 nan 8.180 nan 0.000 0.530 554 Q N 0.677 120.404 119.800 -0.121 0.000 2.124 554 Q HA -0.158 4.196 4.340 0.025 0.000 0.202 554 Q C 2.171 178.108 176.000 -0.105 0.000 0.977 554 Q CA 1.949 57.713 55.803 -0.066 0.000 0.850 554 Q CB -0.471 28.236 28.738 -0.052 0.000 0.901 554 Q HN 0.286 nan 8.270 nan 0.000 0.429 555 A N -0.170 122.491 122.820 -0.265 0.000 1.897 555 A HA -0.073 4.262 4.320 0.025 0.000 0.215 555 A C 2.005 179.543 177.584 -0.077 0.000 1.181 555 A CA 0.821 52.725 52.037 -0.222 0.000 0.620 555 A CB -0.985 17.758 19.000 -0.429 0.000 0.821 555 A HN 0.457 nan 8.150 nan 0.000 0.443 556 F N -0.290 119.474 119.950 -0.309 0.000 2.161 556 F HA -0.204 4.338 4.527 0.025 0.000 0.300 556 F C 2.754 178.450 175.800 -0.173 0.000 1.089 556 F CA 1.036 58.825 58.000 -0.351 0.000 1.282 556 F CB -0.135 38.438 39.000 -0.710 0.000 1.010 556 F HN 0.165 nan 8.300 nan 0.000 0.485 557 R N 0.007 120.555 120.500 0.081 0.000 2.115 557 R HA -0.149 4.205 4.340 0.025 0.000 0.226 557 R C 2.094 178.430 176.300 0.060 0.000 1.100 557 R CA 1.004 57.139 56.100 0.060 0.000 0.980 557 R CB -0.365 29.965 30.300 0.051 0.000 0.875 557 R HN 0.363 nan 8.270 nan 0.000 0.445 558 Q N -0.353 119.514 119.800 0.111 0.000 2.245 558 Q HA -0.057 4.298 4.340 0.025 0.000 0.201 558 Q C -0.508 175.549 176.000 0.093 0.000 0.955 558 Q CA 0.913 56.784 55.803 0.114 0.000 0.870 558 Q CB 0.408 29.256 28.738 0.182 0.000 0.945 558 Q HN 0.175 nan 8.270 nan 0.000 0.461 559 Y N -0.086 120.194 120.300 -0.034 0.000 2.334 559 Y HA 0.281 4.845 4.550 0.023 0.000 0.336 559 Y C -1.819 174.052 175.900 -0.048 0.000 0.960 559 Y CA -2.888 55.191 58.100 -0.035 0.000 1.164 559 Y CB 1.536 39.980 38.460 -0.027 0.000 1.155 559 Y HN 0.088 nan 8.280 nan 0.000 0.478 560 P HA -0.196 nan 4.420 nan 0.000 0.216 560 P C 1.168 178.466 177.300 -0.004 0.000 1.157 560 P CA 1.961 65.059 63.100 -0.003 0.000 0.880 560 P CB 0.313 31.995 31.700 -0.031 0.000 0.791 561 R N -1.144 119.373 120.500 0.029 0.000 2.280 561 R HA 0.047 4.402 4.340 0.025 0.000 0.207 561 R C 0.528 176.805 176.300 -0.038 0.000 1.043 561 R CA 0.246 56.346 56.100 -0.000 0.000 1.006 561 R CB -0.588 29.722 30.300 0.018 0.000 0.885 561 R HN 0.252 nan 8.270 nan 0.000 0.467 562 L N 2.027 123.245 121.223 -0.007 0.000 2.334 562 L HA 0.109 4.464 4.340 0.025 0.000 0.286 562 L C 0.571 177.284 176.870 -0.262 0.000 1.108 562 L CA 0.134 54.913 54.840 -0.101 0.000 0.875 562 L CB 1.016 43.087 42.059 0.020 0.000 1.246 562 L HN 0.083 nan 8.230 nan 0.000 0.439 563 Q N 2.701 122.277 119.800 -0.373 0.000 2.212 563 Q HA 0.301 4.656 4.340 0.025 0.000 0.213 563 Q C 0.879 176.447 176.000 -0.721 0.000 0.874 563 Q CA 0.117 55.660 55.803 -0.434 0.000 0.965 563 Q CB 0.859 29.437 28.738 -0.266 0.000 1.074 563 Q HN 0.935 nan 8.270 nan 0.000 0.473 564 G N -0.410 107.544 108.800 -1.411 0.000 2.428 564 G HA2 0.129 4.104 3.960 0.025 0.000 0.202 564 G HA3 0.129 4.104 3.960 0.025 0.000 0.202 564 G C -0.354 173.704 174.900 -1.403 0.000 1.247 564 G CA -0.776 43.174 45.100 -1.917 0.000 1.020 564 G HN 0.566 nan 8.290 nan 0.000 0.529 565 G N -2.217 106.070 108.800 -0.855 0.000 2.356 565 G HA2 0.637 4.612 3.960 0.025 0.000 0.294 565 G HA3 0.637 4.612 3.960 0.025 0.000 0.294 565 G C -1.733 173.113 174.900 -0.090 0.000 1.423 565 G CA -0.325 44.509 45.100 -0.444 0.000 0.806 565 G HN 1.139 nan 8.290 nan 0.000 0.527 566 F N 0.874 121.084 119.950 0.434 0.000 2.375 566 F HA 0.509 5.050 4.527 0.023 0.000 0.361 566 F C 0.867 176.947 175.800 0.467 0.000 1.117 566 F CA -0.750 57.513 58.000 0.439 0.000 1.037 566 F CB 1.843 40.997 39.000 0.257 0.000 1.192 566 F HN 0.236 nan 8.300 nan 0.000 0.452 567 V N 3.323 123.504 119.914 0.446 0.000 2.872 567 V HA -0.147 3.988 4.120 0.025 0.000 0.307 567 V C -0.197 176.020 176.094 0.205 0.000 1.072 567 V CA -0.251 62.084 62.300 0.059 0.000 1.148 567 V CB 0.756 32.680 31.823 0.168 0.000 0.954 567 V HN 0.773 nan 8.190 nan 0.000 0.490 568 W N 6.345 127.695 121.300 0.084 0.000 2.296 568 W HA 0.456 5.130 4.660 0.024 0.000 0.316 568 W C -0.894 175.637 176.519 0.020 0.000 1.022 568 W CA -0.688 56.753 57.345 0.161 0.000 1.324 568 W CB 1.305 31.014 29.460 0.414 0.000 1.227 568 W HN 0.915 nan 8.180 nan 0.000 0.409 569 D N 2.707 122.756 120.400 -0.584 0.000 2.812 569 D HA 0.105 4.759 4.640 0.025 0.000 0.318 569 D C 0.712 176.816 176.300 -0.327 0.000 1.234 569 D CA -0.571 52.988 54.000 -0.734 0.000 0.989 569 D CB 0.226 40.083 40.800 -1.572 0.000 1.442 569 D HN 0.418 nan 8.370 nan 0.000 0.537 570 W N 0.441 121.464 121.300 -0.461 0.000 2.381 570 W HA 0.099 4.774 4.660 0.025 0.000 0.321 570 W C -0.082 176.284 176.519 -0.255 0.000 1.196 570 W CA 1.155 58.296 57.345 -0.341 0.000 1.304 570 W CB 0.260 29.531 29.460 -0.315 0.000 1.166 570 W HN 0.157 nan 8.180 nan 0.000 0.473 571 V N 2.705 122.427 119.914 -0.320 0.000 2.656 571 V HA 0.237 4.372 4.120 0.025 0.000 0.307 571 V C -0.879 175.068 176.094 -0.245 0.000 1.051 571 V CA -0.815 61.251 62.300 -0.390 0.000 0.893 571 V CB 1.450 33.125 31.823 -0.247 0.000 0.999 571 V HN -0.073 nan 8.190 nan 0.000 0.426 572 D N 4.231 124.501 120.400 -0.216 0.000 2.525 572 D HA 0.077 4.732 4.640 0.025 0.000 0.235 572 D C 0.292 176.436 176.300 -0.260 0.000 1.137 572 D CA 0.708 54.607 54.000 -0.168 0.000 0.868 572 D CB 0.820 41.596 40.800 -0.040 0.000 1.180 572 D HN 0.623 nan 8.370 nan 0.000 0.465 573 Q N 1.173 120.744 119.800 -0.382 0.000 3.207 573 Q HA 0.139 4.494 4.340 0.025 0.000 0.335 573 Q C -0.087 175.834 176.000 -0.133 0.000 1.374 573 Q CA -0.344 54.975 55.803 -0.807 0.000 1.023 573 Q CB 0.075 28.499 28.738 -0.523 0.000 1.576 573 Q HN 0.363 nan 8.270 nan 0.000 0.515 574 S N -0.122 115.608 115.700 0.051 0.000 2.616 574 S HA 0.634 5.119 4.470 0.025 0.000 0.277 574 S C -0.126 174.625 174.600 0.251 0.000 1.234 574 S CA -0.774 57.580 58.200 0.257 0.000 1.028 574 S CB 1.457 64.801 63.200 0.240 0.000 0.988 574 S HN 0.345 nan 8.310 nan 0.000 0.522 575 L N 1.645 122.935 121.223 0.113 0.000 2.333 575 L HA 0.529 4.884 4.340 0.025 0.000 0.269 575 L C -0.430 176.342 176.870 -0.164 0.000 1.010 575 L CA -1.213 53.572 54.840 -0.091 0.000 0.818 575 L CB 1.501 43.361 42.059 -0.330 0.000 1.306 575 L HN 0.564 nan 8.230 nan 0.000 0.430 576 I N 2.400 122.817 120.570 -0.256 0.000 2.441 576 I HA 0.243 4.428 4.170 0.025 0.000 0.287 576 I C 0.136 175.838 176.117 -0.691 0.000 1.049 576 I CA 0.021 61.039 61.300 -0.470 0.000 1.381 576 I CB 1.012 38.746 38.000 -0.444 0.000 1.409 576 I HN 0.565 nan 8.210 nan 0.000 0.523 577 K N 5.438 125.154 120.400 -1.140 0.000 2.350 577 K HA 0.562 4.896 4.320 0.025 0.000 0.241 577 K C -1.524 174.272 176.600 -1.340 0.000 0.994 577 K CA -0.703 54.841 56.287 -1.239 0.000 0.839 577 K CB 2.314 33.813 32.500 -1.669 0.000 1.244 577 K HN 0.249 nan 8.250 nan 0.000 0.443 578 Y N 0.841 120.914 120.300 -0.379 0.000 2.409 578 Y HA 0.111 4.676 4.550 0.025 0.000 0.343 578 Y C 0.299 176.292 175.900 0.155 0.000 0.973 578 Y CA -0.935 57.117 58.100 -0.080 0.000 1.064 578 Y CB 1.371 39.797 38.460 -0.058 0.000 1.207 578 Y HN 0.716 nan 8.280 nan 0.000 0.452 579 D N 0.420 121.070 120.400 0.416 0.000 2.403 579 D HA -0.015 4.640 4.640 0.025 0.000 0.278 579 D C 0.976 177.387 176.300 0.185 0.000 1.230 579 D CA -0.159 54.028 54.000 0.310 0.000 1.062 579 D CB 0.431 41.349 40.800 0.197 0.000 1.119 579 D HN 0.548 nan 8.370 nan 0.000 0.557 580 E N -0.227 120.043 120.200 0.116 0.000 2.106 580 E HA -0.167 4.198 4.350 0.025 0.000 0.192 580 E C 0.691 177.327 176.600 0.059 0.000 0.984 580 E CA 0.900 57.342 56.400 0.069 0.000 0.806 580 E CB -0.780 28.943 29.700 0.038 0.000 0.750 580 E HN 0.506 nan 8.360 nan 0.000 0.458 581 N N 0.776 119.518 118.700 0.070 0.000 2.313 581 N HA 0.123 4.878 4.740 0.025 0.000 0.207 581 N C 0.820 176.372 175.510 0.070 0.000 1.141 581 N CA 0.691 53.774 53.050 0.055 0.000 0.830 581 N CB 0.952 39.468 38.487 0.048 0.000 1.008 581 N HN 0.371 nan 8.380 nan 0.000 0.481 582 G N 1.130 109.992 108.800 0.102 0.000 2.143 582 G HA2 -0.256 3.719 3.960 0.025 0.000 0.248 582 G HA3 -0.256 3.719 3.960 0.025 0.000 0.248 582 G C -0.266 174.765 174.900 0.218 0.000 0.991 582 G CA -0.318 44.848 45.100 0.109 0.000 0.689 582 G HN 0.345 nan 8.290 nan 0.000 0.522 583 N N 1.528 120.365 118.700 0.228 0.000 2.518 583 N HA 0.466 5.221 4.740 0.025 0.000 0.283 583 N C -2.563 173.113 175.510 0.277 0.000 1.119 583 N CA -1.172 52.019 53.050 0.235 0.000 0.983 583 N CB 1.863 40.445 38.487 0.157 0.000 1.139 583 N HN 0.185 nan 8.380 nan 0.000 0.465 584 P HA 0.304 nan 4.420 nan 0.000 0.282 584 P C -0.534 176.733 177.300 -0.055 0.000 1.249 584 P CA -0.357 62.611 63.100 -0.221 0.000 0.806 584 P CB 0.797 32.351 31.700 -0.244 0.000 0.984 585 W N -0.669 120.398 121.300 -0.388 0.000 3.118 585 W HA 0.452 5.127 4.660 0.025 0.000 0.328 585 W C -1.618 174.729 176.519 -0.286 0.000 1.239 585 W CA -1.053 56.076 57.345 -0.360 0.000 1.176 585 W CB 0.398 29.428 29.460 -0.716 0.000 1.433 585 W HN 0.109 nan 8.180 nan 0.000 0.562 586 S N 1.513 117.306 115.700 0.155 0.000 2.452 586 S HA 0.634 5.119 4.470 0.025 0.000 0.284 586 S C 0.095 174.895 174.600 0.333 0.000 1.171 586 S CA -0.308 57.971 58.200 0.133 0.000 1.064 586 S CB 0.973 64.305 63.200 0.219 0.000 0.967 586 S HN 0.624 nan 8.310 nan 0.000 0.484 587 A N 2.986 125.847 122.820 0.068 0.000 2.330 587 A HA 0.904 5.239 4.320 0.025 0.000 0.329 587 A C -0.746 177.110 177.584 0.454 0.000 1.135 587 A CA -0.738 51.394 52.037 0.158 0.000 0.817 587 A CB 0.690 19.493 19.000 -0.327 0.000 1.269 587 A HN 0.847 nan 8.150 nan 0.000 0.469 588 Y N -0.861 119.760 120.300 0.535 0.000 2.944 588 Y HA 0.770 5.335 4.550 0.025 0.000 0.312 588 Y C 0.670 176.957 175.900 0.645 0.000 1.417 588 Y CA -1.315 57.111 58.100 0.544 0.000 1.105 588 Y CB -0.050 38.554 38.460 0.239 0.000 1.364 588 Y HN 0.911 nan 8.280 nan 0.000 0.540 589 G N -0.145 109.075 108.800 0.699 0.000 2.224 589 G HA2 0.364 4.338 3.960 0.025 0.000 0.239 589 G HA3 0.364 4.338 3.960 0.025 0.000 0.239 589 G C 0.941 176.162 174.900 0.535 0.000 1.240 589 G CA 0.455 45.878 45.100 0.539 0.000 0.896 589 G HN 1.975 nan 8.290 nan 0.000 0.496 590 G N 2.205 111.285 108.800 0.467 0.000 2.268 590 G HA2 -0.276 3.699 3.960 0.025 0.000 0.240 590 G HA3 -0.276 3.699 3.960 0.025 0.000 0.240 590 G C 0.910 175.997 174.900 0.313 0.000 1.010 590 G CA 0.635 45.942 45.100 0.345 0.000 0.618 590 G HN 0.641 nan 8.290 nan 0.000 0.516 591 D N -0.159 120.448 120.400 0.344 0.000 2.378 591 D HA 0.154 4.809 4.640 0.025 0.000 0.227 591 D C 1.154 177.298 176.300 -0.261 0.000 1.012 591 D CA 0.511 54.545 54.000 0.058 0.000 0.905 591 D CB -0.191 40.597 40.800 -0.020 0.000 0.895 591 D HN 0.469 nan 8.370 nan 0.000 0.532 592 F N -0.965 119.109 119.950 0.206 0.000 2.698 592 F HA 0.306 4.848 4.527 0.025 0.000 0.304 592 F C 1.728 177.613 175.800 0.140 0.000 1.108 592 F CA -0.242 57.839 58.000 0.134 0.000 1.263 592 F CB 0.784 39.859 39.000 0.126 0.000 1.013 592 F HN -0.061 nan 8.300 nan 0.000 0.532 593 G N 0.532 109.474 108.800 0.237 0.000 2.159 593 G HA2 -0.268 3.707 3.960 0.025 0.000 0.256 593 G HA3 -0.268 3.707 3.960 0.025 0.000 0.256 593 G C -0.241 174.792 174.900 0.223 0.000 0.977 593 G CA 0.164 45.379 45.100 0.192 0.000 0.652 593 G HN 0.403 nan 8.290 nan 0.000 0.531 594 D N 0.411 120.991 120.400 0.301 0.000 2.348 594 D HA 0.529 5.183 4.640 0.025 0.000 0.253 594 D C 0.096 176.512 176.300 0.193 0.000 1.161 594 D CA 0.730 54.893 54.000 0.271 0.000 0.876 594 D CB 1.750 42.774 40.800 0.374 0.000 1.160 594 D HN 0.339 nan 8.370 nan 0.000 0.459 595 T N 1.078 115.716 114.554 0.140 0.000 3.012 595 T HA 0.430 4.795 4.350 0.025 0.000 0.330 595 T C -2.749 171.984 174.700 0.056 0.000 1.321 595 T CA -1.132 61.022 62.100 0.090 0.000 1.067 595 T CB 1.127 70.049 68.868 0.089 0.000 1.235 595 T HN 0.211 nan 8.240 nan 0.000 0.479 596 P HA 0.486 nan 4.420 nan 0.000 0.272 596 P C -0.971 176.314 177.300 -0.025 0.000 1.240 596 P CA -0.318 62.778 63.100 -0.008 0.000 0.791 596 P CB 0.326 31.996 31.700 -0.050 0.000 0.978 597 N N -1.803 116.875 118.700 -0.036 0.000 2.732 597 N HA 0.281 5.036 4.740 0.025 0.000 0.259 597 N C -1.149 174.285 175.510 -0.128 0.000 1.402 597 N CA -0.750 52.252 53.050 -0.080 0.000 0.829 597 N CB 0.782 39.317 38.487 0.081 0.000 1.495 597 N HN 0.072 nan 8.380 nan 0.000 0.511 598 D N -0.150 120.093 120.400 -0.263 0.000 2.643 598 D HA 0.137 4.792 4.640 0.025 0.000 0.244 598 D C 0.445 176.924 176.300 0.297 0.000 1.257 598 D CA -0.140 53.785 54.000 -0.125 0.000 0.831 598 D CB 0.102 40.669 40.800 -0.389 0.000 1.043 598 D HN 0.714 nan 8.370 nan 0.000 0.488 599 R N 0.780 121.468 120.500 0.314 0.000 3.587 599 R HA -0.333 4.022 4.340 0.025 0.000 0.556 599 R C 1.226 177.635 176.300 0.182 0.000 0.241 599 R CA 1.545 57.864 56.100 0.364 0.000 1.724 599 R CB -1.563 28.867 30.300 0.218 0.000 0.885 599 R HN 0.151 nan 8.270 nan 0.000 0.613 600 Q N 1.406 120.983 119.800 -0.370 0.000 2.515 600 Q HA -0.041 4.314 4.340 0.025 0.000 0.212 600 Q C 1.689 177.437 176.000 -0.420 0.000 0.970 600 Q CA 1.522 56.878 55.803 -0.746 0.000 0.941 600 Q CB -0.048 28.005 28.738 -1.142 0.000 0.998 600 Q HN 0.619 nan 8.270 nan 0.000 0.518 601 F N 1.570 121.474 119.950 -0.077 0.000 2.583 601 F HA -0.123 4.419 4.527 0.025 0.000 0.297 601 F C 2.168 177.948 175.800 -0.033 0.000 1.131 601 F CA 1.041 59.072 58.000 0.053 0.000 1.467 601 F CB -0.184 38.905 39.000 0.149 0.000 1.097 601 F HN 0.401 nan 8.300 nan 0.000 0.586 602 C N -1.635 117.434 119.300 -0.385 0.000 2.618 602 C HA 0.235 4.710 4.460 0.025 0.000 0.264 602 C C 1.044 175.843 174.990 -0.319 0.000 1.334 602 C CA -0.521 58.071 59.018 -0.710 0.000 1.731 602 C CB -1.547 25.284 27.740 -1.516 0.000 1.852 602 C HN 0.170 nan 8.230 nan 0.000 0.566 603 M N 2.818 122.274 119.600 -0.239 0.000 2.103 603 M HA 0.278 4.773 4.480 0.025 0.000 0.350 603 M C -0.480 175.694 176.300 -0.210 0.000 1.100 603 M CA 0.367 55.553 55.300 -0.189 0.000 1.042 603 M CB -0.105 32.407 32.600 -0.147 0.000 1.368 603 M HN 0.381 nan 8.290 nan 0.000 0.404 604 N N 0.839 119.420 118.700 -0.198 0.000 2.305 604 N HA 0.207 4.961 4.740 0.025 0.000 0.248 604 N C 0.326 175.643 175.510 -0.322 0.000 1.290 604 N CA -0.542 52.346 53.050 -0.268 0.000 0.873 604 N CB 1.201 39.589 38.487 -0.165 0.000 1.261 604 N HN 0.648 nan 8.380 nan 0.000 0.504 605 G N -0.002 108.627 108.800 -0.286 0.000 2.451 605 G HA2 0.371 4.346 3.960 0.025 0.000 0.303 605 G HA3 0.371 4.346 3.960 0.025 0.000 0.303 605 G C 0.692 175.456 174.900 -0.226 0.000 1.166 605 G CA -0.562 44.358 45.100 -0.300 0.000 0.884 605 G HN 0.099 nan 8.290 nan 0.000 0.514 606 L N 0.044 121.074 121.223 -0.321 0.000 2.313 606 L HA 0.098 4.453 4.340 0.025 0.000 0.214 606 L C 0.961 177.608 176.870 -0.370 0.000 1.119 606 L CA 0.430 55.105 54.840 -0.276 0.000 0.809 606 L CB -0.320 41.558 42.059 -0.301 0.000 0.933 606 L HN 0.400 nan 8.230 nan 0.000 0.449 607 V N -4.934 114.588 119.914 -0.653 0.000 2.864 607 V HA 0.463 4.598 4.120 0.025 0.000 0.314 607 V C -0.153 175.534 176.094 -0.678 0.000 1.073 607 V CA -1.270 60.594 62.300 -0.727 0.000 0.956 607 V CB 1.561 32.918 31.823 -0.777 0.000 1.023 607 V HN -0.151 nan 8.190 nan 0.000 0.435 608 F N 1.464 121.001 119.950 -0.689 0.000 2.426 608 F HA 0.548 5.090 4.527 0.025 0.000 0.309 608 F C 1.975 177.619 175.800 -0.260 0.000 1.246 608 F CA 0.649 58.401 58.000 -0.414 0.000 1.229 608 F CB 0.777 39.563 39.000 -0.357 0.000 1.255 608 F HN 0.761 nan 8.300 nan 0.000 0.558 609 A N 0.555 123.426 122.820 0.085 0.000 1.978 609 A HA -0.221 4.113 4.320 0.025 0.000 0.220 609 A C 1.520 179.066 177.584 -0.064 0.000 1.170 609 A CA 1.933 53.988 52.037 0.030 0.000 0.636 609 A CB -0.992 18.068 19.000 0.099 0.000 0.810 609 A HN 0.772 nan 8.150 nan 0.000 0.448 610 D N -3.136 117.230 120.400 -0.058 0.000 2.336 610 D HA 0.192 4.846 4.640 0.025 0.000 0.228 610 D C 0.626 176.881 176.300 -0.074 0.000 1.120 610 D CA -0.088 53.852 54.000 -0.101 0.000 0.839 610 D CB 0.014 40.755 40.800 -0.098 0.000 0.932 610 D HN 0.191 nan 8.370 nan 0.000 0.509 611 R N -1.925 118.527 120.500 -0.080 0.000 3.728 611 R HA -0.125 4.230 4.340 0.025 0.000 0.478 611 R C -0.122 176.133 176.300 -0.076 0.000 0.932 611 R CA 1.129 57.181 56.100 -0.079 0.000 1.317 611 R CB -3.213 27.090 30.300 0.005 0.000 1.987 611 R HN 0.288 nan 8.270 nan 0.000 0.509 612 T N 2.882 117.406 114.554 -0.051 0.000 2.930 612 T HA 0.349 4.713 4.350 0.025 0.000 0.306 612 T C -2.295 172.380 174.700 -0.042 0.000 1.045 612 T CA -0.623 61.459 62.100 -0.031 0.000 1.134 612 T CB 0.986 69.819 68.868 -0.059 0.000 0.961 612 T HN -0.078 nan 8.240 nan 0.000 0.545 613 P HA 0.277 nan 4.420 nan 0.000 0.277 613 P C -0.399 176.808 177.300 -0.154 0.000 1.240 613 P CA -0.378 62.632 63.100 -0.149 0.000 0.798 613 P CB 0.436 32.098 31.700 -0.063 0.000 0.979 614 H N 2.320 121.258 119.070 -0.219 0.000 2.547 614 H HA 0.144 4.715 4.556 0.025 0.000 0.362 614 H C -1.175 174.067 175.328 -0.143 0.000 1.181 614 H CA -1.310 54.576 56.048 -0.270 0.000 1.376 614 H CB 0.065 29.604 29.762 -0.370 0.000 1.488 614 H HN 0.363 nan 8.280 nan 0.000 0.583 615 P HA -0.180 nan 4.420 nan 0.000 0.218 615 P C 1.042 178.342 177.300 -0.001 0.000 1.148 615 P CA 1.569 64.666 63.100 -0.006 0.000 0.822 615 P CB 0.010 31.705 31.700 -0.009 0.000 0.784 616 A N -0.331 122.483 122.820 -0.009 0.000 2.024 616 A HA -0.193 4.142 4.320 0.025 0.000 0.220 616 A C 2.078 179.614 177.584 -0.079 0.000 1.164 616 A CA 1.338 53.333 52.037 -0.071 0.000 0.643 616 A CB -1.628 17.291 19.000 -0.135 0.000 0.806 616 A HN 0.175 nan 8.150 nan 0.000 0.451 617 L N -0.494 120.708 121.223 -0.034 0.000 2.127 617 L HA -0.127 4.228 4.340 0.025 0.000 0.211 617 L C 2.495 179.412 176.870 0.079 0.000 1.089 617 L CA 2.699 57.556 54.840 0.028 0.000 0.757 617 L CB -0.937 41.138 42.059 0.027 0.000 0.899 617 L HN 0.394 nan 8.230 nan 0.000 0.434 618 T N -1.871 112.729 114.554 0.077 0.000 2.951 618 T HA -0.164 4.201 4.350 0.025 0.000 0.268 618 T C 1.785 176.586 174.700 0.168 0.000 1.073 618 T CA 1.286 63.482 62.100 0.161 0.000 1.134 618 T CB -0.096 68.855 68.868 0.138 0.000 0.884 618 T HN 0.479 nan 8.240 nan 0.000 0.479 619 E N 0.826 121.067 120.200 0.067 0.000 2.106 619 E HA 0.096 4.461 4.350 0.025 0.000 0.192 619 E C 2.176 178.786 176.600 0.016 0.000 0.984 619 E CA 1.290 57.733 56.400 0.071 0.000 0.806 619 E CB -0.599 29.112 29.700 0.018 0.000 0.750 619 E HN 0.535 nan 8.360 nan 0.000 0.458 620 A N 1.068 123.798 122.820 -0.151 0.000 1.877 620 A HA -0.231 4.104 4.320 0.025 0.000 0.216 620 A C 2.170 179.647 177.584 -0.177 0.000 1.186 620 A CA 1.923 53.829 52.037 -0.218 0.000 0.620 620 A CB -0.643 18.221 19.000 -0.226 0.000 0.822 620 A HN 0.267 nan 8.150 nan 0.000 0.443 621 K N -1.284 119.088 120.400 -0.047 0.000 2.044 621 K HA -0.301 4.034 4.320 0.025 0.000 0.210 621 K C 2.072 178.569 176.600 -0.172 0.000 1.049 621 K CA 2.086 58.353 56.287 -0.034 0.000 0.927 621 K CB -0.350 32.286 32.500 0.227 0.000 0.713 621 K HN 0.647 nan 8.250 nan 0.000 0.443 622 H N 0.399 119.291 119.070 -0.296 0.000 2.321 622 H HA -0.037 4.534 4.556 0.025 0.000 0.300 622 H C 2.008 177.063 175.328 -0.456 0.000 1.087 622 H CA 1.854 57.540 56.048 -0.605 0.000 1.319 622 H CB 0.048 29.514 29.762 -0.493 0.000 1.379 622 H HN 0.238 nan 8.280 nan 0.000 0.501 623 Q N 0.239 119.807 119.800 -0.388 0.000 2.224 623 Q HA -0.097 4.257 4.340 0.025 0.000 0.203 623 Q C 1.565 177.037 176.000 -0.879 0.000 0.970 623 Q CA 1.179 56.670 55.803 -0.520 0.000 0.865 623 Q CB 0.003 28.580 28.738 -0.268 0.000 0.922 623 Q HN 0.701 nan 8.270 nan 0.000 0.445 624 Q N 0.295 119.524 119.800 -0.951 0.000 2.282 624 Q HA 0.065 4.420 4.340 0.025 0.000 0.205 624 Q C -0.107 175.335 176.000 -0.929 0.000 0.915 624 Q CA -0.208 54.883 55.803 -1.187 0.000 0.949 624 Q CB 0.264 28.334 28.738 -1.113 0.000 1.035 624 Q HN 0.367 nan 8.270 nan 0.000 0.484 625 Q N -0.564 118.840 119.800 -0.661 0.000 2.428 625 Q HA -0.044 4.311 4.340 0.025 0.000 0.276 625 Q C -0.112 175.541 176.000 -0.578 0.000 1.059 625 Q CA 0.457 56.004 55.803 -0.425 0.000 0.923 625 Q CB 0.465 29.030 28.738 -0.289 0.000 1.283 625 Q HN 0.317 nan 8.270 nan 0.000 0.447 626 F N 0.249 119.975 119.950 -0.374 0.000 2.695 626 F HA 0.236 4.778 4.527 0.024 0.000 0.303 626 F C -0.200 175.047 175.800 -0.921 0.000 1.091 626 F CA -0.040 57.507 58.000 -0.755 0.000 1.300 626 F CB 0.615 38.885 39.000 -1.218 0.000 1.071 626 F HN 0.313 nan 8.300 nan 0.000 0.578 627 F N 0.351 120.227 119.950 -0.123 0.000 2.540 627 F HA 0.484 5.027 4.527 0.026 0.000 0.317 627 F C -0.136 175.344 175.800 -0.533 0.000 1.104 627 F CA -1.067 56.763 58.000 -0.284 0.000 0.913 627 F CB 1.346 40.211 39.000 -0.225 0.000 1.170 627 F HN -0.332 nan 8.300 nan 0.000 0.450 628 Q N 3.018 122.560 119.800 -0.431 0.000 2.306 628 Q HA 0.600 4.954 4.340 0.025 0.000 0.265 628 Q C -1.362 174.311 176.000 -0.545 0.000 1.022 628 Q CA -0.653 54.926 55.803 -0.372 0.000 0.853 628 Q CB 2.893 31.540 28.738 -0.151 0.000 1.327 628 Q HN 0.560 nan 8.270 nan 0.000 0.449 629 F N -0.005 120.075 119.950 0.216 0.000 2.588 629 F HA 0.597 5.139 4.527 0.025 0.000 0.310 629 F C 0.294 176.331 175.800 0.394 0.000 1.082 629 F CA -0.842 57.358 58.000 0.334 0.000 0.929 629 F CB 2.190 41.528 39.000 0.563 0.000 1.254 629 F HN 0.145 nan 8.300 nan 0.000 0.455 630 R N 1.356 122.147 120.500 0.485 0.000 2.771 630 R HA 0.752 5.107 4.340 0.025 0.000 0.274 630 R C -1.977 174.369 176.300 0.076 0.000 0.987 630 R CA -1.273 55.038 56.100 0.351 0.000 0.908 630 R CB 3.021 33.431 30.300 0.183 0.000 1.213 630 R HN 0.591 nan 8.270 nan 0.000 0.468 631 L N 0.344 121.490 121.223 -0.129 0.000 2.365 631 L HA 0.589 4.944 4.340 0.025 0.000 0.273 631 L C -1.097 175.617 176.870 -0.259 0.000 1.000 631 L CA 0.038 54.587 54.840 -0.484 0.000 0.819 631 L CB 2.188 43.519 42.059 -1.214 0.000 1.284 631 L HN 0.552 nan 8.230 nan 0.000 0.418 632 S N 3.808 119.376 115.700 -0.221 0.000 2.775 632 S HA 0.705 5.189 4.470 0.025 0.000 0.277 632 S C 0.175 174.689 174.600 -0.144 0.000 1.156 632 S CA 0.273 58.388 58.200 -0.141 0.000 1.081 632 S CB 0.270 63.421 63.200 -0.081 0.000 1.054 632 S HN 1.697 nan 8.310 nan 0.000 0.482 633 G N 4.532 113.248 108.800 -0.140 0.000 2.565 633 G HA2 -0.329 3.646 3.960 0.025 0.000 0.295 633 G HA3 -0.329 3.646 3.960 0.025 0.000 0.295 633 G C 0.402 175.201 174.900 -0.167 0.000 1.165 633 G CA 0.802 45.825 45.100 -0.127 0.000 0.977 633 G HN 0.761 nan 8.290 nan 0.000 0.546 634 Q N 1.316 121.022 119.800 -0.157 0.000 2.220 634 Q HA 0.386 4.741 4.340 0.025 0.000 0.205 634 Q C 0.342 176.213 176.000 -0.214 0.000 0.865 634 Q CA 0.910 56.596 55.803 -0.195 0.000 0.960 634 Q CB 0.319 28.957 28.738 -0.166 0.000 1.097 634 Q HN 0.679 nan 8.270 nan 0.000 0.493 635 T N -0.194 114.247 114.554 -0.189 0.000 2.767 635 T HA 0.561 4.925 4.350 0.025 0.000 0.284 635 T C -0.146 174.438 174.700 -0.195 0.000 0.973 635 T CA -0.506 61.495 62.100 -0.164 0.000 0.996 635 T CB 1.305 70.108 68.868 -0.109 0.000 0.927 635 T HN 0.048 nan 8.240 nan 0.000 0.456 636 I N 2.453 122.927 120.570 -0.160 0.000 2.354 636 I HA 0.339 4.524 4.170 0.025 0.000 0.292 636 I C 0.388 176.517 176.117 0.021 0.000 0.989 636 I CA -0.558 60.680 61.300 -0.104 0.000 1.188 636 I CB 1.502 39.464 38.000 -0.064 0.000 1.342 636 I HN 0.644 nan 8.210 nan 0.000 0.457 637 E N 6.557 126.801 120.200 0.074 0.000 2.129 637 E HA 0.467 4.832 4.350 0.025 0.000 0.268 637 E C -1.566 175.130 176.600 0.161 0.000 0.900 637 E CA -0.614 55.843 56.400 0.095 0.000 0.755 637 E CB 1.585 31.326 29.700 0.068 0.000 1.117 637 E HN 0.368 nan 8.360 nan 0.000 0.410 638 V N 4.075 124.071 119.914 0.136 0.000 2.394 638 V HA 0.344 4.479 4.120 0.025 0.000 0.282 638 V C 0.045 176.163 176.094 0.040 0.000 1.031 638 V CA -0.463 61.878 62.300 0.068 0.000 0.881 638 V CB 1.683 33.582 31.823 0.126 0.000 0.982 638 V HN 0.711 nan 8.190 nan 0.000 0.451 639 T N 3.240 117.779 114.554 -0.024 0.000 2.829 639 T HA 0.380 4.744 4.350 0.025 0.000 0.280 639 T C -0.168 174.538 174.700 0.010 0.000 0.999 639 T CA -0.297 61.805 62.100 0.003 0.000 0.983 639 T CB 1.654 70.499 68.868 -0.037 0.000 0.968 639 T HN 0.690 nan 8.240 nan 0.000 0.446 640 S N 1.471 117.184 115.700 0.021 0.000 2.508 640 S HA 0.262 4.747 4.470 0.025 0.000 0.284 640 S C 0.732 175.205 174.600 -0.212 0.000 1.192 640 S CA -0.565 57.572 58.200 -0.104 0.000 1.070 640 S CB 0.721 63.938 63.200 0.029 0.000 1.004 640 S HN 0.729 nan 8.310 nan 0.000 0.493 641 E N 2.676 122.640 120.200 -0.393 0.000 2.481 641 E HA 0.094 4.459 4.350 0.025 0.000 0.198 641 E C -0.714 175.689 176.600 -0.328 0.000 1.027 641 E CA -0.094 56.109 56.400 -0.327 0.000 0.900 641 E CB 0.265 29.766 29.700 -0.332 0.000 0.993 641 E HN 0.693 nan 8.360 nan 0.000 0.482 642 Y N 0.511 120.684 120.300 -0.211 0.000 2.497 642 Y HA -0.033 4.531 4.550 0.024 0.000 0.334 642 Y C 1.426 177.148 175.900 -0.297 0.000 1.199 642 Y CA 0.123 58.090 58.100 -0.221 0.000 1.425 642 Y CB 0.695 39.008 38.460 -0.244 0.000 1.291 642 Y HN -0.031 nan 8.280 nan 0.000 0.562 643 L N 1.263 122.298 121.223 -0.314 0.000 2.408 643 L HA 0.066 4.421 4.340 0.025 0.000 0.215 643 L C 0.767 177.203 176.870 -0.723 0.000 1.081 643 L CA 0.599 55.009 54.840 -0.717 0.000 0.840 643 L CB 0.021 41.264 42.059 -1.360 0.000 1.002 643 L HN 0.657 nan 8.230 nan 0.000 0.468 644 F N -0.357 119.601 119.950 0.013 0.000 2.640 644 F HA 0.206 4.747 4.527 0.023 0.000 0.285 644 F C 1.327 177.111 175.800 -0.026 0.000 1.031 644 F CA -0.794 57.192 58.000 -0.022 0.000 1.240 644 F CB 0.332 39.304 39.000 -0.047 0.000 1.011 644 F HN -0.142 nan 8.300 nan 0.000 0.656 645 R N 0.441 120.989 120.500 0.079 0.000 2.573 645 R HA 0.387 4.741 4.340 0.025 0.000 0.272 645 R C -0.626 175.663 176.300 -0.019 0.000 1.009 645 R CA -0.604 55.498 56.100 0.005 0.000 1.059 645 R CB 0.635 30.839 30.300 -0.162 0.000 1.112 645 R HN 0.106 nan 8.270 nan 0.000 0.517 646 H N 0.344 119.411 119.070 -0.005 0.000 2.505 646 H HA 0.056 4.627 4.556 0.025 0.000 0.355 646 H C 0.162 175.515 175.328 0.042 0.000 1.179 646 H CA 0.053 56.128 56.048 0.044 0.000 1.343 646 H CB 1.647 31.437 29.762 0.047 0.000 1.501 646 H HN 0.761 nan 8.280 nan 0.000 0.569 647 S N 1.085 116.929 115.700 0.240 0.000 4.175 647 S HA -0.064 4.421 4.470 0.025 0.000 0.193 647 S C 0.375 175.069 174.600 0.156 0.000 1.373 647 S CA -0.634 57.715 58.200 0.249 0.000 0.908 647 S CB -0.790 62.598 63.200 0.314 0.000 1.547 647 S HN 0.581 nan 8.310 nan 0.000 0.440 648 D N 0.707 121.174 120.400 0.112 0.000 2.336 648 D HA 0.059 4.713 4.640 0.025 0.000 0.228 648 D C 0.300 176.630 176.300 0.049 0.000 1.120 648 D CA -0.310 53.735 54.000 0.075 0.000 0.839 648 D CB -0.352 40.480 40.800 0.055 0.000 0.932 648 D HN 0.491 nan 8.370 nan 0.000 0.509 649 N N 0.172 118.907 118.700 0.059 0.000 2.620 649 N HA 0.132 4.887 4.740 0.025 0.000 0.277 649 N C -1.525 174.023 175.510 0.063 0.000 1.726 649 N CA -0.166 52.910 53.050 0.045 0.000 0.840 649 N CB 0.304 38.809 38.487 0.030 0.000 1.379 649 N HN -0.053 nan 8.380 nan 0.000 0.506 650 E N 0.165 120.396 120.200 0.051 0.000 2.321 650 E HA 0.490 4.855 4.350 0.025 0.000 0.278 650 E C -1.230 175.367 176.600 -0.004 0.000 0.902 650 E CA -0.685 55.728 56.400 0.022 0.000 0.758 650 E CB 2.306 31.995 29.700 -0.019 0.000 1.213 650 E HN 0.308 nan 8.360 nan 0.000 0.426 651 L N 1.120 122.326 121.223 -0.029 0.000 2.388 651 L HA 0.713 5.068 4.340 0.025 0.000 0.264 651 L C -1.580 175.266 176.870 -0.040 0.000 0.998 651 L CA -1.199 53.636 54.840 -0.008 0.000 0.817 651 L CB 1.491 43.569 42.059 0.031 0.000 1.338 651 L HN 0.576 nan 8.230 nan 0.000 0.414 652 L N 3.178 124.440 121.223 0.064 0.000 2.272 652 L HA 0.543 4.898 4.340 0.025 0.000 0.289 652 L C -0.732 176.299 176.870 0.269 0.000 1.032 652 L CA 0.062 54.980 54.840 0.130 0.000 0.810 652 L CB 0.688 42.859 42.059 0.187 0.000 1.205 652 L HN 0.586 nan 8.230 nan 0.000 0.422 653 H N 4.930 124.083 119.070 0.138 0.000 2.457 653 H HA 0.529 5.100 4.556 0.025 0.000 0.335 653 H C -1.016 174.406 175.328 0.157 0.000 1.115 653 H CA -0.707 55.380 56.048 0.066 0.000 1.219 653 H CB 1.049 30.800 29.762 -0.018 0.000 1.471 653 H HN 0.651 nan 8.280 nan 0.000 0.491 654 W N 3.115 124.516 121.300 0.168 0.000 3.032 654 W HA 0.574 5.248 4.660 0.025 0.000 0.335 654 W C -1.584 174.983 176.519 0.081 0.000 1.154 654 W CA -1.366 56.051 57.345 0.120 0.000 1.204 654 W CB 1.391 30.910 29.460 0.098 0.000 1.416 654 W HN 0.597 nan 8.180 nan 0.000 0.521 655 M N 2.935 122.704 119.600 0.282 0.000 2.371 655 M HA 0.649 5.144 4.480 0.025 0.000 0.287 655 M C -2.581 173.914 176.300 0.325 0.000 1.149 655 M CA -0.500 54.854 55.300 0.090 0.000 0.929 655 M CB 2.112 34.680 32.600 -0.053 0.000 1.683 655 M HN 0.139 nan 8.290 nan 0.000 0.470 656 V N 3.581 123.679 119.914 0.307 0.000 2.417 656 V HA 1.009 5.144 4.120 0.025 0.000 0.291 656 V C -0.294 175.910 176.094 0.183 0.000 1.024 656 V CA -0.069 62.409 62.300 0.297 0.000 0.861 656 V CB 1.141 33.163 31.823 0.332 0.000 0.985 656 V HN 1.110 nan 8.190 nan 0.000 0.436 657 A N 4.670 127.607 122.820 0.196 0.000 2.475 657 A HA 0.888 5.223 4.320 0.025 0.000 0.301 657 A C -1.529 176.169 177.584 0.190 0.000 1.059 657 A CA -0.608 51.512 52.037 0.138 0.000 0.710 657 A CB 1.762 20.802 19.000 0.066 0.000 1.288 657 A HN 0.835 nan 8.150 nan 0.000 0.408 658 L N 1.302 122.606 121.223 0.135 0.000 2.280 658 L HA 0.603 4.958 4.340 0.025 0.000 0.287 658 L C -0.597 176.368 176.870 0.158 0.000 1.023 658 L CA 0.277 55.213 54.840 0.161 0.000 0.819 658 L CB 0.583 42.704 42.059 0.104 0.000 1.212 658 L HN 0.768 nan 8.230 nan 0.000 0.420 659 D N 4.660 125.218 120.400 0.263 0.000 2.686 659 D HA -0.197 4.457 4.640 0.025 0.000 0.235 659 D C 1.188 177.518 176.300 0.050 0.000 1.160 659 D CA 1.588 55.722 54.000 0.225 0.000 0.645 659 D CB -1.136 39.762 40.800 0.164 0.000 1.039 659 D HN 1.215 nan 8.370 nan 0.000 0.423 660 G N -0.781 108.013 108.800 -0.010 0.000 2.234 660 G HA2 -0.380 3.595 3.960 0.025 0.000 0.260 660 G HA3 -0.380 3.595 3.960 0.025 0.000 0.260 660 G C 0.195 175.009 174.900 -0.143 0.000 0.987 660 G CA 0.613 45.593 45.100 -0.199 0.000 0.625 660 G HN 0.520 nan 8.290 nan 0.000 0.532 661 K N 1.981 122.351 120.400 -0.051 0.000 2.264 661 K HA 0.477 4.812 4.320 0.025 0.000 0.277 661 K C -2.749 173.840 176.600 -0.018 0.000 1.067 661 K CA -1.961 54.300 56.287 -0.044 0.000 0.900 661 K CB 2.038 34.529 32.500 -0.015 0.000 1.124 661 K HN 0.087 nan 8.250 nan 0.000 0.469 662 P HA 0.020 nan 4.420 nan 0.000 0.267 662 P C 0.010 177.305 177.300 -0.008 0.000 1.205 662 P CA 0.026 63.108 63.100 -0.031 0.000 0.765 662 P CB 0.767 32.424 31.700 -0.072 0.000 0.828 663 L N 1.482 122.719 121.223 0.025 0.000 2.500 663 L HA 0.472 4.827 4.340 0.025 0.000 0.219 663 L C 0.981 177.878 176.870 0.044 0.000 1.057 663 L CA 0.391 55.256 54.840 0.041 0.000 0.854 663 L CB 0.157 42.260 42.059 0.075 0.000 1.078 663 L HN 0.428 nan 8.230 nan 0.000 0.480 664 A N -0.415 122.433 122.820 0.047 0.000 2.567 664 A HA 0.649 4.984 4.320 0.025 0.000 0.291 664 A C -0.985 176.486 177.584 -0.188 0.000 1.048 664 A CA 0.114 52.165 52.037 0.022 0.000 0.661 664 A CB 1.371 20.502 19.000 0.219 0.000 1.288 664 A HN 0.073 nan 8.150 nan 0.000 0.424 665 S N -0.906 114.435 115.700 -0.599 0.000 2.643 665 S HA 0.954 5.439 4.470 0.025 0.000 0.266 665 S C -0.209 173.505 174.600 -1.477 0.000 1.130 665 S CA 0.165 57.490 58.200 -1.459 0.000 0.817 665 S CB 0.805 63.563 63.200 -0.737 0.000 1.107 665 S HN 2.742 nan 8.310 nan 0.000 0.471 666 G N -0.147 107.566 108.800 -1.810 0.000 2.427 666 G HA2 0.641 4.615 3.960 0.025 0.000 0.306 666 G HA3 0.641 4.615 3.960 0.025 0.000 0.306 666 G C -2.263 172.350 174.900 -0.479 0.000 1.280 666 G CA -0.314 44.348 45.100 -0.730 0.000 0.837 666 G HN 1.199 nan 8.290 nan 0.000 0.482 667 E N -1.594 118.619 120.200 0.022 0.000 2.390 667 E HA 0.682 5.047 4.350 0.025 0.000 0.277 667 E C -1.791 174.966 176.600 0.261 0.000 0.939 667 E CA -1.016 55.506 56.400 0.203 0.000 0.769 667 E CB 2.649 32.469 29.700 0.201 0.000 1.251 667 E HN 0.524 nan 8.360 nan 0.000 0.450 668 V N 1.411 121.485 119.914 0.267 0.000 2.686 668 V HA 0.415 4.550 4.120 0.025 0.000 0.306 668 V C -2.506 173.675 176.094 0.144 0.000 1.065 668 V CA -1.944 60.472 62.300 0.194 0.000 0.894 668 V CB 1.932 33.871 31.823 0.193 0.000 1.004 668 V HN 0.678 nan 8.190 nan 0.000 0.424 669 P HA 0.287 nan 4.420 nan 0.000 0.271 669 P C -0.849 176.496 177.300 0.075 0.000 1.218 669 P CA -0.179 62.971 63.100 0.082 0.000 0.780 669 P CB 0.813 32.555 31.700 0.070 0.000 0.901 670 L N 2.797 124.053 121.223 0.054 0.000 2.295 670 L HA 0.374 4.728 4.340 0.025 0.000 0.285 670 L C 0.103 177.018 176.870 0.075 0.000 1.035 670 L CA -0.064 54.802 54.840 0.043 0.000 0.806 670 L CB 1.218 43.254 42.059 -0.038 0.000 1.214 670 L HN 0.393 nan 8.230 nan 0.000 0.426 671 D N 3.539 124.000 120.400 0.101 0.000 2.429 671 D HA 0.333 4.988 4.640 0.025 0.000 0.255 671 D C -1.366 175.042 176.300 0.179 0.000 1.257 671 D CA -0.159 53.927 54.000 0.143 0.000 0.890 671 D CB 1.048 41.918 40.800 0.118 0.000 1.267 671 D HN 0.038 nan 8.370 nan 0.000 0.521 672 V N 1.644 121.679 119.914 0.201 0.000 2.540 672 V HA 0.853 4.988 4.120 0.025 0.000 0.302 672 V C 0.841 176.946 176.094 0.018 0.000 1.035 672 V CA -1.132 61.263 62.300 0.157 0.000 0.873 672 V CB 1.346 33.293 31.823 0.207 0.000 0.992 672 V HN 0.606 nan 8.190 nan 0.000 0.428 673 A N 6.695 129.413 122.820 -0.171 0.000 2.366 673 A HA 0.653 4.988 4.320 0.025 0.000 0.249 673 A C -2.251 175.116 177.584 -0.362 0.000 1.084 673 A CA -1.321 50.256 52.037 -0.766 0.000 0.794 673 A CB -0.200 18.609 19.000 -0.318 0.000 1.034 673 A HN 0.670 nan 8.150 nan 0.000 0.491 674 P HA 0.020 nan 4.420 nan 0.000 0.264 674 P C -0.390 176.835 177.300 -0.124 0.000 1.193 674 P CA 0.597 63.606 63.100 -0.151 0.000 0.763 674 P CB 0.711 32.334 31.700 -0.129 0.000 0.810 675 Q N -1.016 118.723 119.800 -0.102 0.000 2.324 675 Q HA -0.164 4.191 4.340 0.025 0.000 0.200 675 Q C 0.821 176.788 176.000 -0.056 0.000 0.645 675 Q CA 1.958 57.708 55.803 -0.089 0.000 1.377 675 Q CB -2.497 26.188 28.738 -0.089 0.000 1.486 675 Q HN 0.760 nan 8.270 nan 0.000 0.796 676 G N 0.068 108.841 108.800 -0.044 0.000 2.532 676 G HA2 0.567 4.542 3.960 0.025 0.000 0.291 676 G HA3 0.567 4.542 3.960 0.025 0.000 0.291 676 G C -0.209 174.702 174.900 0.017 0.000 1.349 676 G CA -0.442 44.651 45.100 -0.012 0.000 1.038 676 G HN -0.006 nan 8.290 nan 0.000 0.518 677 K N -1.001 119.419 120.400 0.033 0.000 2.444 677 K HA 0.478 4.813 4.320 0.025 0.000 0.252 677 K C -1.079 175.558 176.600 0.061 0.000 0.993 677 K CA -0.639 55.676 56.287 0.047 0.000 0.847 677 K CB 2.570 35.089 32.500 0.033 0.000 1.340 677 K HN 0.538 nan 8.250 nan 0.000 0.446 678 Q N 2.334 122.177 119.800 0.071 0.000 2.331 678 Q HA 0.416 4.770 4.340 0.025 0.000 0.272 678 Q C -1.703 174.334 176.000 0.063 0.000 1.062 678 Q CA -0.669 55.177 55.803 0.071 0.000 0.806 678 Q CB 1.466 30.257 28.738 0.087 0.000 1.312 678 Q HN 0.519 nan 8.270 nan 0.000 0.431 679 L N 4.378 125.627 121.223 0.044 0.000 2.322 679 L HA 0.609 4.964 4.340 0.025 0.000 0.279 679 L C -0.436 176.447 176.870 0.020 0.000 1.036 679 L CA -0.763 54.093 54.840 0.027 0.000 0.807 679 L CB 1.487 43.551 42.059 0.009 0.000 1.226 679 L HN 0.598 nan 8.230 nan 0.000 0.433 680 I N 2.082 122.653 120.570 0.001 0.000 2.468 680 I HA 0.217 4.402 4.170 0.025 0.000 0.285 680 I C -0.597 175.473 176.117 -0.077 0.000 1.039 680 I CA -0.552 60.738 61.300 -0.017 0.000 1.074 680 I CB 2.218 40.223 38.000 0.008 0.000 1.228 680 I HN 0.510 nan 8.210 nan 0.000 0.436 681 E N 6.338 126.492 120.200 -0.077 0.000 2.194 681 E HA 0.420 4.784 4.350 0.025 0.000 0.284 681 E C -0.859 175.635 176.600 -0.176 0.000 1.035 681 E CA -0.178 56.153 56.400 -0.115 0.000 0.836 681 E CB 0.885 30.538 29.700 -0.078 0.000 1.070 681 E HN 0.398 nan 8.360 nan 0.000 0.401 682 L N 6.242 127.304 121.223 -0.269 0.000 2.395 682 L HA 0.395 4.749 4.340 0.025 0.000 0.269 682 L C -1.769 174.941 176.870 -0.267 0.000 1.133 682 L CA -2.028 52.561 54.840 -0.419 0.000 0.812 682 L CB 0.651 42.360 42.059 -0.585 0.000 1.125 682 L HN 0.465 nan 8.230 nan 0.000 0.452 683 P HA -0.026 nan 4.420 nan 0.000 0.272 683 P C -0.567 176.680 177.300 -0.087 0.000 1.230 683 P CA -0.421 62.628 63.100 -0.085 0.000 0.788 683 P CB 0.396 32.105 31.700 0.016 0.000 0.949 684 E N 1.680 121.854 120.200 -0.044 0.000 2.694 684 E HA -0.069 4.296 4.350 0.025 0.000 0.250 684 E C -0.794 175.797 176.600 -0.016 0.000 0.963 684 E CA 0.198 56.577 56.400 -0.035 0.000 0.949 684 E CB -0.141 29.550 29.700 -0.015 0.000 0.911 684 E HN 0.244 nan 8.360 nan 0.000 0.500 685 L N 7.311 128.517 121.223 -0.028 0.000 2.257 685 L HA 0.386 4.741 4.340 0.025 0.000 0.290 685 L C -1.941 174.941 176.870 0.020 0.000 1.044 685 L CA -1.996 52.852 54.840 0.012 0.000 0.810 685 L CB 0.613 42.678 42.059 0.010 0.000 1.193 685 L HN 0.407 nan 8.230 nan 0.000 0.425 686 P HA 0.049 nan 4.420 nan 0.000 0.272 686 P C -0.552 176.763 177.300 0.026 0.000 1.243 686 P CA -0.339 62.777 63.100 0.028 0.000 0.803 686 P CB 0.496 32.216 31.700 0.033 0.000 0.974 687 Q N 0.250 120.062 119.800 0.019 0.000 2.185 687 Q HA 0.616 4.971 4.340 0.025 0.000 0.225 687 Q C -2.004 174.010 176.000 0.023 0.000 0.983 687 Q CA -0.863 54.950 55.803 0.017 0.000 0.950 687 Q CB -0.154 28.590 28.738 0.010 0.000 1.176 687 Q HN 0.370 nan 8.270 nan 0.000 0.510 688 P HA 0.287 nan 4.420 nan 0.000 0.323 688 P C -1.664 175.650 177.300 0.023 0.000 1.596 688 P CA -0.717 62.399 63.100 0.027 0.000 1.278 688 P CB 1.660 33.381 31.700 0.036 0.000 1.544 689 E N 1.739 121.953 120.200 0.023 0.000 1.979 689 E HA 0.418 4.782 4.350 0.025 0.000 0.285 689 E C -0.706 175.909 176.600 0.024 0.000 1.188 689 E CA -0.208 56.205 56.400 0.021 0.000 1.214 689 E CB -0.331 29.380 29.700 0.018 0.000 1.210 689 E HN 0.404 nan 8.360 nan 0.000 0.477 690 S N -0.520 115.197 115.700 0.028 0.000 2.709 690 S HA 0.360 4.845 4.470 0.025 0.000 0.305 690 S C -0.317 174.306 174.600 0.037 0.000 0.974 690 S CA -0.924 57.295 58.200 0.033 0.000 0.837 690 S CB 0.604 63.825 63.200 0.035 0.000 1.032 690 S HN 0.504 nan 8.310 nan 0.000 0.461 691 A N 1.351 124.195 122.820 0.039 0.000 2.475 691 A HA 0.826 5.161 4.320 0.025 0.000 0.239 691 A C 1.138 178.756 177.584 0.056 0.000 1.087 691 A CA 0.752 52.815 52.037 0.043 0.000 0.779 691 A CB -0.532 18.495 19.000 0.046 0.000 1.036 691 A HN 2.651 nan 8.150 nan 0.000 0.506 692 G N -0.891 107.945 108.800 0.060 0.000 2.354 692 G HA2 0.421 4.396 3.960 0.025 0.000 0.582 692 G HA3 0.421 4.396 3.960 0.025 0.000 0.582 692 G C -1.020 173.922 174.900 0.071 0.000 1.316 692 G CA -0.075 45.077 45.100 0.086 0.000 0.995 692 G HN 1.227 nan 8.290 nan 0.000 0.573 693 Q N -0.333 119.534 119.800 0.112 0.000 2.307 693 Q HA 0.736 5.091 4.340 0.025 0.000 0.262 693 Q C -0.350 175.735 176.000 0.142 0.000 0.961 693 Q CA -0.555 55.285 55.803 0.062 0.000 0.882 693 Q CB 1.283 30.049 28.738 0.047 0.000 1.264 693 Q HN 0.595 nan 8.270 nan 0.000 0.446 694 L N 4.448 125.682 121.223 0.018 0.000 2.292 694 L HA 0.484 4.839 4.340 0.025 0.000 0.284 694 L C -0.898 175.990 176.870 0.030 0.000 1.065 694 L CA -0.415 54.484 54.840 0.097 0.000 0.806 694 L CB 0.708 42.793 42.059 0.044 0.000 1.175 694 L HN 0.688 nan 8.230 nan 0.000 0.431 695 W N 4.364 125.732 121.300 0.112 0.000 2.702 695 W HA 0.496 5.170 4.660 0.024 0.000 0.331 695 W C -0.783 175.849 176.519 0.187 0.000 1.049 695 W CA -0.538 56.897 57.345 0.150 0.000 1.230 695 W CB 1.708 31.281 29.460 0.188 0.000 1.408 695 W HN 0.115 nan 8.180 nan 0.000 0.492 696 L N 3.245 124.759 121.223 0.486 0.000 2.296 696 L HA 0.752 5.106 4.340 0.025 0.000 0.286 696 L C -0.314 176.877 176.870 0.536 0.000 1.023 696 L CA 0.134 55.249 54.840 0.458 0.000 0.812 696 L CB 1.226 43.527 42.059 0.402 0.000 1.223 696 L HN 0.331 nan 8.230 nan 0.000 0.421 697 T N 5.010 119.821 114.554 0.428 0.000 2.841 697 T HA 0.687 5.051 4.350 0.025 0.000 0.283 697 T C -0.733 174.168 174.700 0.336 0.000 1.000 697 T CA -0.450 61.855 62.100 0.341 0.000 0.977 697 T CB 1.587 70.587 68.868 0.220 0.000 0.979 697 T HN 0.616 nan 8.240 nan 0.000 0.446 698 V N 1.329 121.408 119.914 0.275 0.000 2.823 698 V HA 0.847 4.982 4.120 0.025 0.000 0.312 698 V C -0.924 175.256 176.094 0.144 0.000 1.072 698 V CA -1.188 61.239 62.300 0.212 0.000 0.937 698 V CB 1.967 33.865 31.823 0.125 0.000 1.013 698 V HN 0.860 nan 8.190 nan 0.000 0.430 699 R N 2.360 122.961 120.500 0.167 0.000 2.725 699 R HA 0.773 5.128 4.340 0.025 0.000 0.277 699 R C -1.735 174.642 176.300 0.129 0.000 0.987 699 R CA -0.866 55.347 56.100 0.189 0.000 0.901 699 R CB 2.668 33.056 30.300 0.146 0.000 1.207 699 R HN 0.619 nan 8.270 nan 0.000 0.463 700 V N 3.014 123.040 119.914 0.185 0.000 2.370 700 V HA 0.307 4.442 4.120 0.025 0.000 0.279 700 V C -0.189 175.934 176.094 0.048 0.000 1.029 700 V CA -0.615 61.744 62.300 0.098 0.000 0.870 700 V CB 1.617 33.518 31.823 0.131 0.000 0.984 700 V HN 0.443 nan 8.190 nan 0.000 0.451 701 V N 5.325 125.183 119.914 -0.094 0.000 2.513 701 V HA 0.403 4.538 4.120 0.025 0.000 0.299 701 V C -0.163 175.914 176.094 -0.028 0.000 1.035 701 V CA -0.714 61.519 62.300 -0.112 0.000 0.889 701 V CB 1.938 33.551 31.823 -0.351 0.000 0.988 701 V HN 0.877 nan 8.190 nan 0.000 0.440 702 Q N 5.853 125.683 119.800 0.050 0.000 2.390 702 Q HA 0.265 4.620 4.340 0.025 0.000 0.249 702 Q C -1.699 174.314 176.000 0.022 0.000 0.996 702 Q CA -1.798 54.043 55.803 0.063 0.000 0.899 702 Q CB 1.828 30.631 28.738 0.108 0.000 1.216 702 Q HN 0.492 nan 8.270 nan 0.000 0.465 703 P HA -0.176 nan 4.420 nan 0.000 0.218 703 P C -0.498 176.802 177.300 -0.001 0.000 1.149 703 P CA 1.144 64.252 63.100 0.012 0.000 0.817 703 P CB 0.367 32.081 31.700 0.022 0.000 0.785 704 N N -0.638 118.052 118.700 -0.017 0.000 2.456 704 N HA 0.452 5.206 4.740 0.025 0.000 0.296 704 N C -0.299 175.160 175.510 -0.085 0.000 1.102 704 N CA -0.748 52.278 53.050 -0.040 0.000 0.924 704 N CB 1.113 39.578 38.487 -0.036 0.000 1.186 704 N HN -0.065 nan 8.380 nan 0.000 0.492 705 A N 0.600 123.363 122.820 -0.095 0.000 2.332 705 A HA 0.525 4.860 4.320 0.025 0.000 0.258 705 A C 0.481 177.935 177.584 -0.217 0.000 1.087 705 A CA -0.118 51.824 52.037 -0.158 0.000 0.802 705 A CB 0.133 19.068 19.000 -0.109 0.000 1.042 705 A HN 0.703 nan 8.150 nan 0.000 0.489 706 T N -3.146 111.191 114.554 -0.361 0.000 2.742 706 T HA 0.621 4.985 4.350 0.025 0.000 0.282 706 T C 1.003 175.534 174.700 -0.281 0.000 1.025 706 T CA 0.048 61.928 62.100 -0.367 0.000 1.020 706 T CB 1.027 69.464 68.868 -0.718 0.000 1.317 706 T HN 1.350 nan 8.240 nan 0.000 0.538 707 A N -0.096 122.652 122.820 -0.119 0.000 2.125 707 A HA 0.085 4.419 4.320 0.025 0.000 0.219 707 A C 1.550 179.259 177.584 0.207 0.000 1.156 707 A CA 1.129 53.201 52.037 0.059 0.000 0.671 707 A CB -0.909 18.170 19.000 0.131 0.000 0.794 707 A HN 0.907 nan 8.150 nan 0.000 0.459 708 W N -0.863 120.504 121.300 0.112 0.000 2.702 708 W HA 0.440 5.115 4.660 0.026 0.000 0.369 708 W C -0.272 176.227 176.519 -0.033 0.000 0.987 708 W CA 0.413 57.805 57.345 0.078 0.000 1.702 708 W CB -1.124 28.375 29.460 0.065 0.000 1.138 708 W HN 0.396 nan 8.180 nan 0.000 0.552 709 S N -0.033 115.248 115.700 -0.699 0.000 2.570 709 S HA 0.501 4.986 4.470 0.025 0.000 0.270 709 S C -1.080 173.295 174.600 -0.374 0.000 1.149 709 S CA -0.722 57.090 58.200 -0.646 0.000 0.837 709 S CB 2.717 65.146 63.200 -1.285 0.000 1.124 709 S HN 0.088 nan 8.310 nan 0.000 0.465 710 E N 0.638 120.731 120.200 -0.179 0.000 2.280 710 E HA 0.646 5.011 4.350 0.025 0.000 0.264 710 E C 0.137 176.702 176.600 -0.057 0.000 1.064 710 E CA -0.929 55.420 56.400 -0.086 0.000 0.900 710 E CB 1.152 30.845 29.700 -0.012 0.000 1.123 710 E HN 0.893 nan 8.360 nan 0.000 0.418 711 A N 0.775 123.571 122.820 -0.040 0.000 2.540 711 A HA 0.390 4.725 4.320 0.025 0.000 0.239 711 A C 1.149 178.744 177.584 0.018 0.000 1.061 711 A CA 0.773 52.800 52.037 -0.017 0.000 0.758 711 A CB -0.620 18.372 19.000 -0.012 0.000 0.991 711 A HN 0.828 nan 8.150 nan 0.000 0.502 712 G N 0.625 109.444 108.800 0.031 0.000 2.175 712 G HA2 -0.244 3.731 3.960 0.025 0.000 0.244 712 G HA3 -0.244 3.731 3.960 0.025 0.000 0.244 712 G C 0.223 175.160 174.900 0.060 0.000 0.982 712 G CA 0.657 45.782 45.100 0.042 0.000 0.641 712 G HN 1.755 nan 8.290 nan 0.000 0.527 713 H N 0.650 119.717 119.070 -0.005 0.000 3.034 713 H HA 0.452 5.023 4.556 0.025 0.000 0.324 713 H C 0.705 176.088 175.328 0.091 0.000 1.015 713 H CA 0.311 56.382 56.048 0.037 0.000 1.429 713 H CB 0.184 29.944 29.762 -0.003 0.000 1.429 713 H HN 0.293 nan 8.280 nan 0.000 0.585 714 I N 4.793 125.090 120.570 -0.455 0.000 2.315 714 I HA 0.037 4.222 4.170 0.025 0.000 0.291 714 I C 0.881 176.871 176.117 -0.212 0.000 1.006 714 I CA 0.003 61.183 61.300 -0.200 0.000 1.265 714 I CB 1.484 39.433 38.000 -0.086 0.000 1.387 714 I HN 0.787 nan 8.210 nan 0.000 0.475 715 S N 4.296 120.088 115.700 0.154 0.000 2.511 715 S HA 0.560 5.045 4.470 0.025 0.000 0.214 715 S C 0.427 175.303 174.600 0.460 0.000 0.997 715 S CA -0.016 58.426 58.200 0.402 0.000 0.908 715 S CB 0.535 64.084 63.200 0.581 0.000 0.803 715 S HN 0.715 nan 8.310 nan 0.000 0.504 716 A N 0.443 123.560 122.820 0.497 0.000 2.597 716 A HA 0.653 4.988 4.320 0.025 0.000 0.292 716 A C -1.778 176.168 177.584 0.604 0.000 1.057 716 A CA -0.838 51.469 52.037 0.449 0.000 0.674 716 A CB 0.321 19.633 19.000 0.521 0.000 1.278 716 A HN 0.957 nan 8.150 nan 0.000 0.416 717 W N -0.165 121.317 121.300 0.304 0.000 3.005 717 W HA 0.821 5.496 4.660 0.026 0.000 0.343 717 W C -1.226 175.359 176.519 0.110 0.000 1.243 717 W CA -0.610 56.811 57.345 0.127 0.000 1.186 717 W CB 1.173 30.674 29.460 0.069 0.000 1.453 717 W HN 1.037 nan 8.180 nan 0.000 0.575 718 Q N 0.965 120.826 119.800 0.100 0.000 2.594 718 Q HA 0.415 4.770 4.340 0.025 0.000 0.278 718 Q C -1.547 174.297 176.000 -0.261 0.000 0.961 718 Q CA -0.457 55.239 55.803 -0.178 0.000 0.844 718 Q CB 2.266 30.692 28.738 -0.521 0.000 1.475 718 Q HN 0.630 nan 8.270 nan 0.000 0.389 719 Q N 1.309 120.893 119.800 -0.361 0.000 2.484 719 Q HA 0.686 5.041 4.340 0.025 0.000 0.285 719 Q C -1.029 174.787 176.000 -0.306 0.000 1.097 719 Q CA -0.765 55.000 55.803 -0.064 0.000 0.802 719 Q CB 2.662 31.595 28.738 0.324 0.000 1.444 719 Q HN 0.585 nan 8.270 nan 0.000 0.429 720 W N 0.550 122.031 121.300 0.301 0.000 3.127 720 W HA 0.446 5.121 4.660 0.024 0.000 0.330 720 W C -0.476 175.954 176.519 -0.149 0.000 1.187 720 W CA -0.694 56.706 57.345 0.092 0.000 1.198 720 W CB 1.885 31.364 29.460 0.032 0.000 1.408 720 W HN 0.423 nan 8.180 nan 0.000 0.529 721 R N 1.888 122.182 120.500 -0.343 0.000 2.265 721 R HA 0.470 4.825 4.340 0.025 0.000 0.314 721 R C 0.374 176.481 176.300 -0.321 0.000 1.053 721 R CA -0.028 55.560 56.100 -0.852 0.000 0.931 721 R CB 0.827 30.584 30.300 -0.906 0.000 1.024 721 R HN 0.381 nan 8.270 nan 0.000 0.457 722 L N 1.825 122.903 121.223 -0.242 0.000 2.926 722 L HA 0.530 4.884 4.340 0.025 0.000 0.183 722 L C 0.695 177.483 176.870 -0.137 0.000 1.766 722 L CA -1.028 53.740 54.840 -0.120 0.000 2.062 722 L CB -0.109 41.922 42.059 -0.047 0.000 2.755 722 L HN 0.623 nan 8.230 nan 0.000 0.584 723 A N 0.243 123.012 122.820 -0.086 0.000 2.521 723 A HA 0.081 4.416 4.320 0.025 0.000 0.237 723 A C -0.168 177.362 177.584 -0.090 0.000 1.087 723 A CA 0.387 52.378 52.037 -0.076 0.000 0.777 723 A CB -0.032 18.944 19.000 -0.041 0.000 1.035 723 A HN 0.656 nan 8.150 nan 0.000 0.510 724 E N 0.389 120.547 120.200 -0.071 0.000 2.272 724 E HA 0.345 4.710 4.350 0.025 0.000 0.269 724 E C -1.500 175.087 176.600 -0.021 0.000 0.877 724 E CA -0.736 55.632 56.400 -0.054 0.000 0.755 724 E CB 0.970 30.631 29.700 -0.066 0.000 1.192 724 E HN 0.684 nan 8.360 nan 0.000 0.422 725 N N 4.920 123.619 118.700 -0.001 0.000 2.518 725 N HA 0.281 5.036 4.740 0.025 0.000 0.254 725 N C -0.589 174.932 175.510 0.018 0.000 0.979 725 N CA -0.368 52.688 53.050 0.009 0.000 0.930 725 N CB 1.294 39.791 38.487 0.017 0.000 1.152 725 N HN 0.468 nan 8.380 nan 0.000 0.505 726 L N 0.703 121.935 121.223 0.016 0.000 2.439 726 L HA 0.147 4.501 4.340 0.025 0.000 0.269 726 L C 1.274 178.162 176.870 0.029 0.000 1.179 726 L CA 0.022 54.877 54.840 0.025 0.000 0.828 726 L CB 0.599 42.672 42.059 0.022 0.000 1.106 726 L HN 0.365 nan 8.230 nan 0.000 0.467 727 S N 0.989 116.711 115.700 0.037 0.000 2.505 727 S HA 0.238 4.723 4.470 0.025 0.000 0.276 727 S C 0.540 175.159 174.600 0.032 0.000 1.274 727 S CA -0.741 57.481 58.200 0.036 0.000 1.053 727 S CB 0.860 64.086 63.200 0.043 0.000 0.919 727 S HN 0.470 nan 8.310 nan 0.000 0.490 728 V N 2.302 122.233 119.914 0.027 0.000 3.380 728 V HA 0.362 4.496 4.120 0.025 0.000 0.307 728 V C 0.546 176.653 176.094 0.023 0.000 1.434 728 V CA 0.122 62.437 62.300 0.024 0.000 1.075 728 V CB -0.365 31.470 31.823 0.020 0.000 0.954 728 V HN 0.832 nan 8.190 nan 0.000 0.444 729 T N 1.442 116.011 114.554 0.025 0.000 2.728 729 T HA 0.675 5.040 4.350 0.025 0.000 0.296 729 T C -0.172 174.543 174.700 0.025 0.000 0.940 729 T CA -0.517 61.598 62.100 0.024 0.000 1.013 729 T CB 0.738 69.621 68.868 0.024 0.000 0.912 729 T HN 0.374 nan 8.240 nan 0.000 0.484 730 L N 4.884 126.120 121.223 0.022 0.000 2.534 730 L HA 0.245 4.600 4.340 0.025 0.000 0.271 730 L C -0.783 176.098 176.870 0.020 0.000 1.178 730 L CA -1.202 53.650 54.840 0.021 0.000 0.907 730 L CB -1.179 40.891 42.059 0.018 0.000 1.164 730 L HN 0.408 nan 8.230 nan 0.000 0.482 731 P HA -0.172 nan 4.420 nan 0.000 0.208 731 P C -0.027 177.279 177.300 0.010 0.000 0.999 731 P CA 1.738 64.846 63.100 0.013 0.000 0.988 731 P CB -0.007 31.698 31.700 0.008 0.000 0.745 732 A N -3.474 119.350 122.820 0.007 0.000 2.360 732 A HA 0.493 4.827 4.320 0.025 0.000 0.290 732 A C -0.614 176.976 177.584 0.009 0.000 0.839 732 A CA -0.484 51.562 52.037 0.014 0.000 0.632 732 A CB -0.856 18.156 19.000 0.019 0.000 1.121 732 A HN 0.492 nan 8.150 nan 0.000 0.346 733 A N 2.395 125.235 122.820 0.034 0.000 2.540 733 A HA 0.473 4.807 4.320 0.025 0.000 0.268 733 A C 1.127 178.749 177.584 0.063 0.000 1.061 733 A CA 1.011 53.077 52.037 0.049 0.000 0.821 733 A CB -0.963 18.073 19.000 0.060 0.000 0.970 733 A HN 2.297 nan 8.150 nan 0.000 0.524 734 S N 2.872 118.586 115.700 0.024 0.000 2.575 734 S HA -0.017 4.467 4.470 0.025 0.000 0.295 734 S C 0.830 175.498 174.600 0.114 0.000 1.267 734 S CA 0.568 58.769 58.200 0.002 0.000 1.074 734 S CB -0.238 62.952 63.200 -0.016 0.000 0.829 734 S HN 0.737 nan 8.310 nan 0.000 0.497 735 H N 2.561 121.647 119.070 0.026 0.000 2.457 735 H HA 0.118 4.689 4.556 0.025 0.000 0.297 735 H C 1.118 176.462 175.328 0.026 0.000 1.092 735 H CA 0.716 56.778 56.048 0.024 0.000 1.309 735 H CB 0.116 29.893 29.762 0.025 0.000 1.382 735 H HN 0.847 nan 8.280 nan 0.000 0.535 736 A N 0.582 123.485 122.820 0.138 0.000 2.567 736 A HA 0.557 4.892 4.320 0.025 0.000 0.289 736 A C -1.513 176.113 177.584 0.069 0.000 1.177 736 A CA -0.722 51.372 52.037 0.095 0.000 0.694 736 A CB 1.232 20.291 19.000 0.098 0.000 1.292 736 A HN 0.199 nan 8.150 nan 0.000 0.425 737 I N -0.822 119.788 120.570 0.067 0.000 2.498 737 I HA 0.748 4.933 4.170 0.025 0.000 0.290 737 I C -2.942 173.222 176.117 0.078 0.000 1.032 737 I CA -2.091 59.242 61.300 0.056 0.000 1.073 737 I CB 2.159 40.181 38.000 0.036 0.000 1.251 737 I HN 0.288 nan 8.210 nan 0.000 0.426 738 P HA 0.190 nan 4.420 nan 0.000 0.275 738 P C -1.359 176.006 177.300 0.109 0.000 1.228 738 P CA 0.126 63.284 63.100 0.097 0.000 0.786 738 P CB 0.363 32.079 31.700 0.026 0.000 0.927 739 H N 2.823 121.929 119.070 0.060 0.000 2.459 739 H HA 0.401 4.972 4.556 0.025 0.000 0.332 739 H C -1.268 174.097 175.328 0.060 0.000 1.094 739 H CA -0.869 55.207 56.048 0.047 0.000 1.224 739 H CB 1.189 30.979 29.762 0.046 0.000 1.449 739 H HN 0.245 nan 8.280 nan 0.000 0.484 740 L N 4.830 125.650 121.223 -0.672 0.000 2.275 740 L HA 0.325 4.679 4.340 0.025 0.000 0.288 740 L C -0.664 175.936 176.870 -0.449 0.000 1.046 740 L CA -0.056 54.557 54.840 -0.378 0.000 0.805 740 L CB 1.515 43.413 42.059 -0.268 0.000 1.193 740 L HN 0.560 nan 8.230 nan 0.000 0.426 741 T N 3.642 118.183 114.554 -0.021 0.000 2.770 741 T HA 0.466 4.831 4.350 0.025 0.000 0.283 741 T C -0.308 174.488 174.700 0.160 0.000 0.988 741 T CA -0.293 61.885 62.100 0.130 0.000 0.957 741 T CB 0.957 69.959 68.868 0.223 0.000 0.930 741 T HN 0.698 nan 8.240 nan 0.000 0.443 742 T N 3.167 117.814 114.554 0.155 0.000 2.824 742 T HA 0.680 5.045 4.350 0.025 0.000 0.280 742 T C 0.102 174.867 174.700 0.108 0.000 0.995 742 T CA -0.692 61.541 62.100 0.222 0.000 1.009 742 T CB 1.182 70.200 68.868 0.249 0.000 0.955 742 T HN 0.702 nan 8.240 nan 0.000 0.452 743 S N 1.842 117.563 115.700 0.036 0.000 2.740 743 S HA 0.501 4.986 4.470 0.025 0.000 0.300 743 S C 0.733 175.292 174.600 -0.069 0.000 1.147 743 S CA -0.896 57.302 58.200 -0.004 0.000 0.871 743 S CB 1.368 64.570 63.200 0.003 0.000 1.173 743 S HN 0.456 nan 8.310 nan 0.000 0.510 744 E N 0.608 120.777 120.200 -0.052 0.000 2.110 744 E HA -0.104 4.261 4.350 0.025 0.000 0.193 744 E C 1.629 178.157 176.600 -0.121 0.000 0.988 744 E CA 1.484 57.839 56.400 -0.074 0.000 0.804 744 E CB -0.542 29.134 29.700 -0.041 0.000 0.745 744 E HN 0.778 nan 8.360 nan 0.000 0.458 745 M N -0.714 118.828 119.600 -0.097 0.000 2.414 745 M HA 0.323 4.818 4.480 0.025 0.000 0.251 745 M C -0.280 175.934 176.300 -0.144 0.000 1.116 745 M CA 0.102 55.339 55.300 -0.105 0.000 1.056 745 M CB 0.223 32.797 32.600 -0.044 0.000 1.388 745 M HN -0.321 nan 8.290 nan 0.000 0.487 746 D N -0.092 120.211 120.400 -0.161 0.000 2.596 746 D HA 0.468 5.123 4.640 0.025 0.000 0.234 746 D C -1.453 174.760 176.300 -0.144 0.000 1.181 746 D CA -0.249 53.679 54.000 -0.119 0.000 0.856 746 D CB 2.139 42.967 40.800 0.045 0.000 1.498 746 D HN 0.113 nan 8.370 nan 0.000 0.446 747 F N 0.833 120.866 119.950 0.139 0.000 2.402 747 F HA 0.376 4.918 4.527 0.025 0.000 0.355 747 F C 0.120 176.055 175.800 0.226 0.000 1.123 747 F CA -0.764 57.308 58.000 0.120 0.000 1.021 747 F CB 1.309 40.330 39.000 0.035 0.000 1.160 747 F HN 0.032 nan 8.300 nan 0.000 0.451 748 C N 4.498 124.013 119.300 0.358 0.000 2.456 748 C HA 0.749 5.223 4.460 0.025 0.000 0.325 748 C C -0.256 174.916 174.990 0.304 0.000 1.217 748 C CA -0.829 58.386 59.018 0.327 0.000 1.687 748 C CB 1.073 28.941 27.740 0.214 0.000 2.270 748 C HN 0.578 nan 8.230 nan 0.000 0.499 749 I N 2.649 123.456 120.570 0.395 0.000 2.498 749 I HA 0.429 4.614 4.170 0.025 0.000 0.290 749 I C -0.623 175.781 176.117 0.477 0.000 1.032 749 I CA -0.137 61.388 61.300 0.375 0.000 1.073 749 I CB 1.736 39.945 38.000 0.347 0.000 1.251 749 I HN 0.617 nan 8.210 nan 0.000 0.426 750 E N 6.416 126.838 120.200 0.370 0.000 2.199 750 E HA 0.765 5.129 4.350 0.025 0.000 0.269 750 E C -1.255 175.536 176.600 0.318 0.000 0.899 750 E CA -0.678 55.905 56.400 0.305 0.000 0.772 750 E CB 2.440 32.240 29.700 0.167 0.000 1.155 750 E HN 0.362 nan 8.360 nan 0.000 0.408 751 L N 2.517 123.933 121.223 0.321 0.000 2.620 751 L HA 0.573 4.928 4.340 0.025 0.000 0.261 751 L C 0.363 177.333 176.870 0.167 0.000 0.978 751 L CA 0.645 55.652 54.840 0.278 0.000 0.897 751 L CB 0.894 43.174 42.059 0.368 0.000 1.207 751 L HN 0.703 nan 8.230 nan 0.000 0.425 752 G N 4.214 113.073 108.800 0.097 0.000 2.561 752 G HA2 -0.402 3.572 3.960 0.025 0.000 0.289 752 G HA3 -0.402 3.572 3.960 0.025 0.000 0.289 752 G C 0.451 175.359 174.900 0.014 0.000 1.169 752 G CA 0.520 45.651 45.100 0.053 0.000 0.980 752 G HN 1.232 nan 8.290 nan 0.000 0.550 753 N N 1.469 120.165 118.700 -0.008 0.000 2.276 753 N HA 0.177 4.932 4.740 0.025 0.000 0.212 753 N C 0.251 175.707 175.510 -0.089 0.000 1.127 753 N CA 0.575 53.599 53.050 -0.043 0.000 0.834 753 N CB 0.286 38.748 38.487 -0.040 0.000 1.014 753 N HN 0.735 nan 8.380 nan 0.000 0.491 754 K N 0.184 120.513 120.400 -0.119 0.000 2.203 754 K HA 0.507 4.841 4.320 0.025 0.000 0.251 754 K C -0.570 175.813 176.600 -0.362 0.000 0.944 754 K CA -0.646 55.443 56.287 -0.331 0.000 0.829 754 K CB 2.347 34.560 32.500 -0.478 0.000 1.125 754 K HN -0.037 nan 8.250 nan 0.000 0.430 755 R N 1.391 121.595 120.500 -0.494 0.000 2.651 755 R HA 0.383 4.737 4.340 0.025 0.000 0.278 755 R C -1.565 174.617 176.300 -0.198 0.000 1.010 755 R CA -0.699 55.299 56.100 -0.170 0.000 0.896 755 R CB 1.440 31.672 30.300 -0.114 0.000 1.211 755 R HN 0.585 nan 8.270 nan 0.000 0.456 756 W N 2.623 124.044 121.300 0.201 0.000 2.819 756 W HA 0.348 5.023 4.660 0.025 0.000 0.337 756 W C -0.562 176.063 176.519 0.176 0.000 1.077 756 W CA -0.498 56.909 57.345 0.103 0.000 1.226 756 W CB 2.242 31.762 29.460 0.101 0.000 1.419 756 W HN 0.410 nan 8.180 nan 0.000 0.502 757 Q N 2.757 122.695 119.800 0.229 0.000 2.321 757 Q HA 0.430 4.785 4.340 0.025 0.000 0.270 757 Q C -2.044 173.953 176.000 -0.004 0.000 1.032 757 Q CA -0.448 55.503 55.803 0.247 0.000 0.784 757 Q CB 1.559 30.507 28.738 0.350 0.000 1.264 757 Q HN 0.351 nan 8.270 nan 0.000 0.448 758 F N 2.649 122.693 119.950 0.157 0.000 2.426 758 F HA 0.334 4.876 4.527 0.025 0.000 0.348 758 F C 0.573 176.410 175.800 0.063 0.000 1.124 758 F CA -0.823 57.237 58.000 0.099 0.000 1.008 758 F CB 1.439 40.502 39.000 0.104 0.000 1.139 758 F HN 0.490 nan 8.300 nan 0.000 0.452 759 N N 3.755 122.570 118.700 0.192 0.000 2.442 759 N HA 0.073 4.828 4.740 0.025 0.000 0.265 759 N C 0.894 176.427 175.510 0.038 0.000 1.138 759 N CA -0.084 53.022 53.050 0.094 0.000 0.956 759 N CB 0.737 39.286 38.487 0.104 0.000 1.067 759 N HN 0.713 nan 8.380 nan 0.000 0.474 760 R N 2.523 122.963 120.500 -0.101 0.000 2.237 760 R HA -0.084 4.271 4.340 0.025 0.000 0.219 760 R C 1.358 177.602 176.300 -0.094 0.000 1.080 760 R CA 1.087 57.076 56.100 -0.186 0.000 0.995 760 R CB 0.211 30.256 30.300 -0.426 0.000 0.875 760 R HN 0.676 nan 8.270 nan 0.000 0.462 761 Q N -0.355 119.418 119.800 -0.045 0.000 2.349 761 Q HA 0.011 4.366 4.340 0.025 0.000 0.209 761 Q C 2.049 178.053 176.000 0.008 0.000 0.920 761 Q CA 1.195 56.985 55.803 -0.023 0.000 0.901 761 Q CB 0.570 29.305 28.738 -0.004 0.000 1.021 761 Q HN 0.318 nan 8.270 nan 0.000 0.519 762 S N -1.116 114.614 115.700 0.051 0.000 2.439 762 S HA 0.125 4.610 4.470 0.025 0.000 0.224 762 S C 1.582 176.169 174.600 -0.022 0.000 1.029 762 S CA 0.718 58.986 58.200 0.112 0.000 0.946 762 S CB 0.344 63.705 63.200 0.268 0.000 0.797 762 S HN 0.449 nan 8.310 nan 0.000 0.504 763 G N 0.371 109.149 108.800 -0.037 0.000 2.143 763 G HA2 -0.202 3.773 3.960 0.025 0.000 0.249 763 G HA3 -0.202 3.773 3.960 0.025 0.000 0.249 763 G C -0.094 174.710 174.900 -0.160 0.000 0.981 763 G CA 0.290 45.329 45.100 -0.102 0.000 0.665 763 G HN 0.527 nan 8.290 nan 0.000 0.528 764 F N -1.262 118.874 119.950 0.309 0.000 2.575 764 F HA 0.705 5.247 4.527 0.025 0.000 0.330 764 F C 0.482 176.327 175.800 0.076 0.000 1.056 764 F CA -1.431 56.712 58.000 0.239 0.000 0.964 764 F CB 1.289 40.376 39.000 0.143 0.000 1.258 764 F HN 0.009 nan 8.300 nan 0.000 0.484 765 L N 1.694 122.982 121.223 0.108 0.000 2.485 765 L HA 0.195 4.550 4.340 0.025 0.000 0.279 765 L C 0.894 177.669 176.870 -0.159 0.000 1.124 765 L CA 0.403 54.961 54.840 -0.470 0.000 0.888 765 L CB 0.195 41.921 42.059 -0.554 0.000 1.217 765 L HN 0.686 nan 8.230 nan 0.000 0.464 766 S N 2.423 118.039 115.700 -0.141 0.000 2.503 766 S HA 0.244 4.729 4.470 0.025 0.000 0.217 766 S C 0.615 175.100 174.600 -0.192 0.000 0.999 766 S CA -0.151 58.000 58.200 -0.080 0.000 0.914 766 S CB 0.075 63.277 63.200 0.003 0.000 0.782 766 S HN 0.653 nan 8.310 nan 0.000 0.520 767 Q N 0.044 119.666 119.800 -0.295 0.000 2.426 767 Q HA 0.617 4.972 4.340 0.025 0.000 0.278 767 Q C -1.888 173.747 176.000 -0.608 0.000 1.007 767 Q CA -0.363 55.104 55.803 -0.561 0.000 0.850 767 Q CB 1.861 30.111 28.738 -0.814 0.000 1.427 767 Q HN 0.287 nan 8.270 nan 0.000 0.391 768 M N 2.807 121.929 119.600 -0.796 0.000 2.324 768 M HA 0.495 4.989 4.480 0.025 0.000 0.288 768 M C -2.020 173.896 176.300 -0.641 0.000 1.097 768 M CA -0.060 54.872 55.300 -0.613 0.000 0.928 768 M CB 1.527 33.764 32.600 -0.606 0.000 1.648 768 M HN 0.753 nan 8.290 nan 0.000 0.460 769 W N 5.280 126.344 121.300 -0.393 0.000 2.761 769 W HA 0.563 5.238 4.660 0.025 0.000 0.340 769 W C -0.966 175.358 176.519 -0.325 0.000 1.072 769 W CA -0.718 56.457 57.345 -0.283 0.000 1.215 769 W CB 1.758 31.090 29.460 -0.214 0.000 1.420 769 W HN 0.508 nan 8.180 nan 0.000 0.519 770 I N 2.840 123.401 120.570 -0.014 0.000 2.390 770 I HA 0.370 4.554 4.170 0.025 0.000 0.283 770 I C 0.819 176.925 176.117 -0.017 0.000 1.016 770 I CA 0.493 61.746 61.300 -0.077 0.000 1.151 770 I CB 0.801 38.733 38.000 -0.113 0.000 1.293 770 I HN 0.742 nan 8.210 nan 0.000 0.458 771 G N 5.780 114.565 108.800 -0.025 0.000 2.531 771 G HA2 -0.326 3.648 3.960 0.025 0.000 0.274 771 G HA3 -0.326 3.648 3.960 0.025 0.000 0.274 771 G C 0.353 175.262 174.900 0.016 0.000 1.159 771 G CA 0.454 45.541 45.100 -0.020 0.000 0.969 771 G HN 0.744 nan 8.290 nan 0.000 0.554 772 D N 0.959 121.377 120.400 0.031 0.000 2.342 772 D HA 0.212 4.866 4.640 0.025 0.000 0.221 772 D C 0.367 176.794 176.300 0.210 0.000 1.101 772 D CA 0.262 54.310 54.000 0.080 0.000 0.837 772 D CB 0.196 41.012 40.800 0.027 0.000 0.938 772 D HN 0.353 nan 8.370 nan 0.000 0.508 773 K N 1.208 121.700 120.400 0.154 0.000 2.234 773 K HA 0.288 4.623 4.320 0.025 0.000 0.277 773 K C 0.106 176.696 176.600 -0.016 0.000 1.038 773 K CA -0.544 55.790 56.287 0.078 0.000 0.888 773 K CB 1.759 34.260 32.500 0.001 0.000 1.091 773 K HN 0.001 nan 8.250 nan 0.000 0.467 774 K N 2.030 122.339 120.400 -0.152 0.000 2.448 774 K HA -0.007 4.328 4.320 0.025 0.000 0.278 774 K C 1.095 177.509 176.600 -0.310 0.000 1.009 774 K CA 0.199 56.185 56.287 -0.502 0.000 0.995 774 K CB 0.576 32.825 32.500 -0.419 0.000 0.917 774 K HN 0.334 nan 8.250 nan 0.000 0.481 775 Q N 1.714 121.303 119.800 -0.351 0.000 2.317 775 Q HA 0.193 4.548 4.340 0.025 0.000 0.220 775 Q C -0.083 175.844 176.000 -0.122 0.000 0.873 775 Q CA 0.363 56.087 55.803 -0.132 0.000 0.936 775 Q CB 0.567 29.275 28.738 -0.050 0.000 1.105 775 Q HN 0.493 nan 8.270 nan 0.000 0.520 776 L N 0.571 121.651 121.223 -0.239 0.000 2.342 776 L HA 0.399 4.754 4.340 0.025 0.000 0.271 776 L C 0.953 177.692 176.870 -0.219 0.000 1.008 776 L CA -0.387 54.330 54.840 -0.204 0.000 0.818 776 L CB 1.700 43.625 42.059 -0.224 0.000 1.296 776 L HN -0.072 nan 8.230 nan 0.000 0.427 777 L N 0.507 121.594 121.223 -0.228 0.000 2.470 777 L HA 0.172 4.527 4.340 0.025 0.000 0.219 777 L C 0.712 177.467 176.870 -0.192 0.000 1.071 777 L CA 0.477 55.189 54.840 -0.214 0.000 0.850 777 L CB 0.624 42.536 42.059 -0.245 0.000 1.040 777 L HN 0.768 nan 8.230 nan 0.000 0.475 778 T N -2.944 111.475 114.554 -0.225 0.000 2.903 778 T HA 0.541 4.906 4.350 0.025 0.000 0.299 778 T C -2.863 171.768 174.700 -0.114 0.000 1.093 778 T CA -1.973 60.046 62.100 -0.134 0.000 1.002 778 T CB 2.365 71.185 68.868 -0.081 0.000 1.127 778 T HN -0.309 nan 8.240 nan 0.000 0.488 779 P HA 0.275 nan 4.420 nan 0.000 0.271 779 P C -0.601 176.658 177.300 -0.069 0.000 1.233 779 P CA -0.731 62.331 63.100 -0.063 0.000 0.789 779 P CB 0.262 31.952 31.700 -0.017 0.000 0.951 780 L N 2.424 123.644 121.223 -0.004 0.000 2.325 780 L HA 0.255 4.609 4.340 0.025 0.000 0.284 780 L C 0.074 176.909 176.870 -0.058 0.000 1.089 780 L CA 0.584 55.459 54.840 0.058 0.000 0.836 780 L CB -0.576 41.622 42.059 0.232 0.000 1.184 780 L HN 0.264 nan 8.230 nan 0.000 0.444 781 R N 2.927 123.297 120.500 -0.216 0.000 2.854 781 R HA 0.457 4.812 4.340 0.025 0.000 0.271 781 R C -0.961 175.223 176.300 -0.193 0.000 0.994 781 R CA -1.116 54.690 56.100 -0.491 0.000 0.945 781 R CB 1.286 31.116 30.300 -0.783 0.000 1.194 781 R HN 0.535 nan 8.270 nan 0.000 0.476 782 D N 1.256 121.612 120.400 -0.073 0.000 2.368 782 D HA 0.033 4.688 4.640 0.025 0.000 0.240 782 D C -0.320 175.640 176.300 -0.567 0.000 1.169 782 D CA 0.426 54.246 54.000 -0.300 0.000 0.906 782 D CB 0.657 41.216 40.800 -0.402 0.000 1.187 782 D HN 0.240 nan 8.370 nan 0.000 0.435 783 Q N 1.018 120.291 119.800 -0.879 0.000 2.271 783 Q HA 0.327 4.681 4.340 0.025 0.000 0.268 783 Q C -1.346 173.977 176.000 -1.128 0.000 1.021 783 Q CA -0.585 54.752 55.803 -0.777 0.000 0.802 783 Q CB 0.787 29.269 28.738 -0.428 0.000 1.282 783 Q HN 0.546 nan 8.270 nan 0.000 0.431 784 F N 0.998 120.576 119.950 -0.620 0.000 2.688 784 F HA 0.210 4.751 4.527 0.025 0.000 0.310 784 F C 0.525 175.897 175.800 -0.714 0.000 1.098 784 F CA -0.136 57.383 58.000 -0.802 0.000 1.228 784 F CB 1.553 39.741 39.000 -1.354 0.000 1.042 784 F HN 0.474 nan 8.300 nan 0.000 0.557 785 T N -0.945 113.312 114.554 -0.495 0.000 2.907 785 T HA 0.772 5.137 4.350 0.025 0.000 0.290 785 T C -0.584 173.865 174.700 -0.417 0.000 1.066 785 T CA -1.024 60.717 62.100 -0.600 0.000 1.012 785 T CB 2.710 71.171 68.868 -0.678 0.000 1.184 785 T HN 0.234 nan 8.240 nan 0.000 0.522 786 R N -0.131 120.155 120.500 -0.358 0.000 2.771 786 R HA 0.782 5.137 4.340 0.025 0.000 0.274 786 R C -0.776 175.563 176.300 0.066 0.000 0.987 786 R CA -1.238 54.782 56.100 -0.132 0.000 0.908 786 R CB 1.568 31.798 30.300 -0.117 0.000 1.213 786 R HN 0.824 nan 8.270 nan 0.000 0.468 787 A N 3.570 126.418 122.820 0.048 0.000 2.491 787 A HA 0.282 4.617 4.320 0.025 0.000 0.261 787 A C -1.969 175.672 177.584 0.095 0.000 1.101 787 A CA -1.343 50.725 52.037 0.051 0.000 0.772 787 A CB -0.427 18.551 19.000 -0.037 0.000 1.043 787 A HN 0.575 nan 8.150 nan 0.000 0.501 788 P HA 0.083 nan 4.420 nan 0.000 0.264 788 P C -0.185 177.224 177.300 0.181 0.000 1.193 788 P CA 0.423 63.673 63.100 0.249 0.000 0.763 788 P CB 0.377 32.262 31.700 0.309 0.000 0.810 789 L N 2.587 123.885 121.223 0.125 0.000 2.475 789 L HA 0.129 4.484 4.340 0.025 0.000 0.253 789 L C 1.890 178.783 176.870 0.038 0.000 1.198 789 L CA -0.388 54.464 54.840 0.020 0.000 0.814 789 L CB -0.104 41.895 42.059 -0.100 0.000 1.134 789 L HN 0.300 nan 8.230 nan 0.000 0.478 790 D N 0.291 120.652 120.400 -0.066 0.000 2.149 790 D HA -0.152 4.503 4.640 0.025 0.000 0.198 790 D C 1.615 177.835 176.300 -0.134 0.000 0.990 790 D CA 1.347 55.230 54.000 -0.194 0.000 0.839 790 D CB 0.025 40.623 40.800 -0.337 0.000 0.948 790 D HN 0.469 nan 8.370 nan 0.000 0.460 791 N N 0.965 119.599 118.700 -0.110 0.000 2.396 791 N HA -0.096 4.659 4.740 0.025 0.000 0.180 791 N C 1.110 176.628 175.510 0.013 0.000 1.028 791 N CA 0.642 53.655 53.050 -0.062 0.000 0.893 791 N CB -0.088 38.351 38.487 -0.080 0.000 0.967 791 N HN 0.253 nan 8.380 nan 0.000 0.440 792 D N 0.362 120.787 120.400 0.042 0.000 2.234 792 D HA 0.058 4.713 4.640 0.025 0.000 0.205 792 D C 1.973 178.323 176.300 0.084 0.000 0.962 792 D CA 0.347 54.409 54.000 0.103 0.000 0.855 792 D CB 0.218 41.156 40.800 0.230 0.000 0.951 792 D HN 0.308 nan 8.370 nan 0.000 0.500 793 I N 0.360 120.966 120.570 0.060 0.000 2.400 793 I HA 0.034 4.219 4.170 0.025 0.000 0.248 793 I C 1.828 177.971 176.117 0.044 0.000 1.109 793 I CA 0.666 61.991 61.300 0.042 0.000 1.425 793 I CB -0.345 37.653 38.000 -0.004 0.000 1.094 793 I HN 0.054 nan 8.210 nan 0.000 0.425 794 G N 1.336 110.172 108.800 0.060 0.000 2.583 794 G HA2 -0.361 3.614 3.960 0.025 0.000 0.292 794 G HA3 -0.361 3.614 3.960 0.025 0.000 0.292 794 G C 0.774 175.839 174.900 0.275 0.000 1.203 794 G CA 0.946 46.146 45.100 0.166 0.000 0.987 794 G HN 0.513 nan 8.290 nan 0.000 0.554 795 V N -1.754 118.263 119.914 0.171 0.000 3.623 795 V HA 0.534 4.669 4.120 0.025 0.000 0.271 795 V C 1.461 177.572 176.094 0.028 0.000 1.248 795 V CA 1.504 63.843 62.300 0.066 0.000 1.156 795 V CB -0.058 31.709 31.823 -0.094 0.000 0.870 795 V HN 1.294 nan 8.190 nan 0.000 0.453 796 S N 1.119 116.838 115.700 0.031 0.000 2.552 796 S HA 0.212 4.696 4.470 0.025 0.000 0.289 796 S C -0.020 174.589 174.600 0.014 0.000 1.304 796 S CA 0.170 58.374 58.200 0.007 0.000 1.063 796 S CB 0.016 63.219 63.200 0.004 0.000 0.848 796 S HN 0.817 nan 8.310 nan 0.000 0.499 797 E N 1.400 121.602 120.200 0.004 0.000 2.367 797 E HA 0.518 4.883 4.350 0.025 0.000 0.273 797 E C 0.543 177.150 176.600 0.011 0.000 0.903 797 E CA -0.571 55.837 56.400 0.012 0.000 0.764 797 E CB 1.511 31.213 29.700 0.003 0.000 1.252 797 E HN 0.593 nan 8.360 nan 0.000 0.446 798 A N 0.787 123.620 122.820 0.022 0.000 1.940 798 A HA -0.187 4.148 4.320 0.025 0.000 0.219 798 A C 1.949 179.541 177.584 0.012 0.000 1.176 798 A CA 2.402 54.451 52.037 0.020 0.000 0.631 798 A CB -0.916 18.100 19.000 0.028 0.000 0.814 798 A HN 0.672 nan 8.150 nan 0.000 0.446 799 T N -2.186 112.374 114.554 0.009 0.000 3.148 799 T HA 0.154 4.519 4.350 0.025 0.000 0.253 799 T C 0.551 175.245 174.700 -0.010 0.000 1.134 799 T CA 0.466 62.567 62.100 0.001 0.000 1.051 799 T CB -0.350 68.519 68.868 0.002 0.000 0.959 799 T HN 0.700 nan 8.240 nan 0.000 0.525 800 R N 0.562 121.054 120.500 -0.013 0.000 3.189 800 R HA 0.353 4.708 4.340 0.025 0.000 0.222 800 R C -1.170 175.116 176.300 -0.024 0.000 1.735 800 R CA -0.759 55.326 56.100 -0.025 0.000 1.129 800 R CB -0.314 29.962 30.300 -0.040 0.000 1.549 800 R HN 0.068 nan 8.270 nan 0.000 0.525 801 I N 1.962 122.521 120.570 -0.018 0.000 2.710 801 I HA -0.001 4.184 4.170 0.025 0.000 0.286 801 I C 0.339 176.438 176.117 -0.031 0.000 1.181 801 I CA 0.307 61.596 61.300 -0.018 0.000 1.430 801 I CB 0.626 38.618 38.000 -0.012 0.000 1.367 801 I HN 0.608 nan 8.210 nan 0.000 0.577 802 D N 9.378 129.757 120.400 -0.035 0.000 2.467 802 D HA 0.253 4.908 4.640 0.025 0.000 0.220 802 D C -1.679 174.581 176.300 -0.067 0.000 1.103 802 D CA -2.224 51.746 54.000 -0.050 0.000 0.886 802 D CB 1.384 42.157 40.800 -0.044 0.000 1.025 802 D HN 0.191 nan 8.370 nan 0.000 0.514 803 P HA -0.094 nan 4.420 nan 0.000 0.228 803 P C 0.900 178.115 177.300 -0.141 0.000 1.151 803 P CA 0.618 63.665 63.100 -0.089 0.000 0.770 803 P CB 0.180 31.834 31.700 -0.076 0.000 0.786 804 N N -0.301 118.309 118.700 -0.150 0.000 2.422 804 N HA 0.018 4.773 4.740 0.025 0.000 0.181 804 N C 0.375 175.707 175.510 -0.297 0.000 1.080 804 N CA -0.155 52.763 53.050 -0.221 0.000 0.893 804 N CB 0.061 38.443 38.487 -0.174 0.000 0.973 804 N HN -0.042 nan 8.380 nan 0.000 0.456 805 A N 0.336 123.027 122.820 -0.214 0.000 2.445 805 A HA 0.027 4.362 4.320 0.025 0.000 0.242 805 A C 0.577 177.975 177.584 -0.311 0.000 1.075 805 A CA -0.385 51.529 52.037 -0.205 0.000 0.777 805 A CB -0.137 18.814 19.000 -0.082 0.000 1.013 805 A HN 0.468 nan 8.150 nan 0.000 0.493 806 W N 1.544 122.595 121.300 -0.415 0.000 2.321 806 W HA -0.181 4.494 4.660 0.024 0.000 0.306 806 W C 2.213 178.172 176.519 -0.934 0.000 1.217 806 W CA 1.700 58.526 57.345 -0.864 0.000 1.257 806 W CB -0.331 28.482 29.460 -1.078 0.000 1.145 806 W HN 0.559 nan 8.180 nan 0.000 0.509 807 V N 0.861 120.674 119.914 -0.169 0.000 2.392 807 V HA -0.269 3.866 4.120 0.025 0.000 0.249 807 V C 2.108 178.298 176.094 0.160 0.000 1.059 807 V CA 2.140 64.546 62.300 0.177 0.000 1.051 807 V CB -0.313 31.647 31.823 0.228 0.000 0.658 807 V HN 0.084 nan 8.190 nan 0.000 0.455 808 E N -0.214 119.986 120.200 0.001 0.000 2.158 808 E HA -0.123 4.242 4.350 0.025 0.000 0.191 808 E C 2.325 178.897 176.600 -0.047 0.000 0.982 808 E CA 0.789 57.187 56.400 -0.004 0.000 0.823 808 E CB -0.256 29.414 29.700 -0.050 0.000 0.766 808 E HN 0.611 nan 8.360 nan 0.000 0.468 809 R N -0.175 120.222 120.500 -0.172 0.000 2.075 809 R HA -0.096 4.259 4.340 0.025 0.000 0.232 809 R C 2.251 178.488 176.300 -0.107 0.000 1.126 809 R CA 1.197 57.169 56.100 -0.213 0.000 0.963 809 R CB -0.145 29.905 30.300 -0.416 0.000 0.858 809 R HN 0.223 nan 8.270 nan 0.000 0.435 810 W N 1.522 122.785 121.300 -0.061 0.000 2.355 810 W HA -0.098 4.577 4.660 0.025 0.000 0.309 810 W C 1.948 178.428 176.519 -0.064 0.000 1.206 810 W CA 0.794 58.000 57.345 -0.232 0.000 1.284 810 W CB -0.743 28.711 29.460 -0.010 0.000 1.145 810 W HN 0.104 nan 8.180 nan 0.000 0.502 811 K N 0.102 120.731 120.400 0.381 0.000 2.009 811 K HA -0.135 4.200 4.320 0.025 0.000 0.210 811 K C 2.283 178.948 176.600 0.108 0.000 1.049 811 K CA 1.996 58.466 56.287 0.306 0.000 0.929 811 K CB -0.672 31.953 32.500 0.208 0.000 0.714 811 K HN -0.008 nan 8.250 nan 0.000 0.440 812 A N 1.149 124.002 122.820 0.056 0.000 1.972 812 A HA -0.117 4.218 4.320 0.025 0.000 0.219 812 A C 2.224 179.797 177.584 -0.018 0.000 1.169 812 A CA 1.864 53.912 52.037 0.018 0.000 0.635 812 A CB -0.594 18.407 19.000 0.001 0.000 0.810 812 A HN 0.367 nan 8.150 nan 0.000 0.446 813 A N -2.001 120.790 122.820 -0.049 0.000 2.167 813 A HA 0.387 4.722 4.320 0.025 0.000 0.214 813 A C 1.872 179.367 177.584 -0.149 0.000 1.151 813 A CA 1.302 53.317 52.037 -0.035 0.000 0.735 813 A CB -0.846 18.128 19.000 -0.044 0.000 0.802 813 A HN 1.900 nan 8.150 nan 0.000 0.467 814 G N -1.680 106.917 108.800 -0.339 0.000 2.141 814 G HA2 -0.302 3.672 3.960 0.025 0.000 0.242 814 G HA3 -0.302 3.672 3.960 0.025 0.000 0.242 814 G C 0.606 175.503 174.900 -0.006 0.000 0.982 814 G CA 0.657 45.339 45.100 -0.698 0.000 0.662 814 G HN 0.743 nan 8.290 nan 0.000 0.527 815 H N -1.357 117.690 119.070 -0.038 0.000 2.390 815 H HA -0.117 4.454 4.556 0.025 0.000 0.298 815 H C 2.098 177.393 175.328 -0.055 0.000 1.106 815 H CA 1.689 57.726 56.048 -0.019 0.000 1.297 815 H CB 0.064 29.747 29.762 -0.132 0.000 1.375 815 H HN 0.609 nan 8.280 nan 0.000 0.509 816 Y N -0.086 120.342 120.300 0.214 0.000 2.511 816 Y HA -0.041 4.524 4.550 0.025 0.000 0.279 816 Y C 1.901 177.891 175.900 0.150 0.000 1.157 816 Y CA 0.080 58.269 58.100 0.148 0.000 1.300 816 Y CB 0.573 39.102 38.460 0.115 0.000 1.052 816 Y HN 0.119 nan 8.280 nan 0.000 0.529 817 Q N -0.157 119.816 119.800 0.289 0.000 2.350 817 Q HA 0.322 4.677 4.340 0.025 0.000 0.225 817 Q C 0.756 176.945 176.000 0.315 0.000 0.878 817 Q CA 0.142 56.112 55.803 0.277 0.000 0.935 817 Q CB 0.122 29.026 28.738 0.277 0.000 1.099 817 Q HN 0.251 nan 8.270 nan 0.000 0.527 818 A N 2.738 125.767 122.820 0.348 0.000 2.567 818 A HA 0.088 4.422 4.320 0.025 0.000 0.240 818 A C 0.173 178.045 177.584 0.480 0.000 1.053 818 A CA 0.286 52.580 52.037 0.429 0.000 0.755 818 A CB 0.065 19.349 19.000 0.472 0.000 0.978 818 A HN 0.106 nan 8.150 nan 0.000 0.507 819 E N 1.753 122.141 120.200 0.313 0.000 2.191 819 E HA 0.551 4.916 4.350 0.025 0.000 0.274 819 E C -0.300 176.215 176.600 -0.143 0.000 0.948 819 E CA -0.671 55.832 56.400 0.172 0.000 0.802 819 E CB 1.560 31.335 29.700 0.125 0.000 1.137 819 E HN 0.689 nan 8.360 nan 0.000 0.397 820 A N 1.978 124.595 122.820 -0.338 0.000 2.492 820 A HA 0.442 4.777 4.320 0.025 0.000 0.254 820 A C 0.012 177.427 177.584 -0.283 0.000 1.091 820 A CA -0.019 51.538 52.037 -0.799 0.000 0.768 820 A CB 0.042 18.771 19.000 -0.451 0.000 1.028 820 A HN 0.654 nan 8.150 nan 0.000 0.498 821 A N 2.946 125.610 122.820 -0.260 0.000 2.288 821 A HA 0.581 4.916 4.320 0.025 0.000 0.320 821 A C -0.276 177.262 177.584 -0.076 0.000 1.217 821 A CA -0.558 51.423 52.037 -0.094 0.000 0.840 821 A CB 0.424 19.381 19.000 -0.071 0.000 1.179 821 A HN 1.169 nan 8.150 nan 0.000 0.504 822 L N 2.662 123.830 121.223 -0.093 0.000 2.416 822 L HA 0.315 4.670 4.340 0.025 0.000 0.272 822 L C 0.496 177.250 176.870 -0.194 0.000 1.161 822 L CA 0.447 55.129 54.840 -0.263 0.000 0.845 822 L CB 0.482 42.395 42.059 -0.244 0.000 1.119 822 L HN 0.779 nan 8.230 nan 0.000 0.464 823 L N 3.020 124.106 121.223 -0.228 0.000 2.609 823 L HA 0.341 4.695 4.340 0.025 0.000 0.230 823 L C 0.123 176.930 176.870 -0.106 0.000 1.064 823 L CA -0.019 54.752 54.840 -0.114 0.000 0.873 823 L CB 0.167 42.188 42.059 -0.062 0.000 1.139 823 L HN 0.758 nan 8.230 nan 0.000 0.490 824 Q N -0.348 119.356 119.800 -0.161 0.000 2.503 824 Q HA 0.295 4.650 4.340 0.025 0.000 0.268 824 Q C -2.059 173.883 176.000 -0.096 0.000 0.982 824 Q CA -0.607 55.138 55.803 -0.095 0.000 0.907 824 Q CB 2.688 31.396 28.738 -0.050 0.000 1.467 824 Q HN 0.029 nan 8.270 nan 0.000 0.394 825 C N 3.356 122.646 119.300 -0.017 0.000 2.679 825 C HA 0.821 5.295 4.460 0.025 0.000 0.354 825 C C -0.805 174.301 174.990 0.192 0.000 1.067 825 C CA 0.595 59.654 59.018 0.067 0.000 1.317 825 C CB 0.529 28.308 27.740 0.064 0.000 1.843 825 C HN 0.824 nan 8.230 nan 0.000 0.459 826 T N 2.447 117.045 114.554 0.074 0.000 2.901 826 T HA 0.903 5.268 4.350 0.025 0.000 0.293 826 T C -0.562 173.889 174.700 -0.415 0.000 1.084 826 T CA -0.362 61.706 62.100 -0.052 0.000 1.008 826 T CB 1.944 70.773 68.868 -0.066 0.000 1.170 826 T HN 1.615 nan 8.240 nan 0.000 0.509 827 A N 1.456 123.829 122.820 -0.745 0.000 2.374 827 A HA 0.754 5.088 4.320 0.025 0.000 0.305 827 A C -1.161 176.138 177.584 -0.475 0.000 1.053 827 A CA -0.707 50.804 52.037 -0.876 0.000 0.726 827 A CB 1.238 19.306 19.000 -1.553 0.000 1.229 827 A HN 0.875 nan 8.150 nan 0.000 0.431 828 D N 1.025 121.220 120.400 -0.341 0.000 2.645 828 D HA 0.577 5.232 4.640 0.025 0.000 0.228 828 D C -0.713 175.471 176.300 -0.193 0.000 1.148 828 D CA 0.031 53.899 54.000 -0.220 0.000 0.860 828 D CB 2.443 43.149 40.800 -0.158 0.000 1.548 828 D HN 0.620 nan 8.370 nan 0.000 0.460 829 T N -0.521 113.945 114.554 -0.148 0.000 2.824 829 T HA 0.694 5.059 4.350 0.025 0.000 0.280 829 T C 0.356 175.003 174.700 -0.088 0.000 0.995 829 T CA -0.703 61.323 62.100 -0.123 0.000 1.009 829 T CB 1.102 69.904 68.868 -0.111 0.000 0.955 829 T HN 0.184 nan 8.240 nan 0.000 0.452 830 L N 1.683 122.860 121.223 -0.076 0.000 2.347 830 L HA 0.659 5.014 4.340 0.025 0.000 0.268 830 L C 2.105 178.951 176.870 -0.040 0.000 1.019 830 L CA -1.460 53.348 54.840 -0.054 0.000 0.806 830 L CB 0.450 42.478 42.059 -0.051 0.000 1.339 830 L HN 0.798 nan 8.230 nan 0.000 0.463 831 A N 0.599 123.402 122.820 -0.027 0.000 1.917 831 A HA -0.202 4.133 4.320 0.025 0.000 0.219 831 A C 1.255 178.832 177.584 -0.012 0.000 1.182 831 A CA 2.270 54.297 52.037 -0.016 0.000 0.633 831 A CB -0.542 18.452 19.000 -0.009 0.000 0.819 831 A HN 0.920 nan 8.150 nan 0.000 0.448 832 D N -2.507 117.883 120.400 -0.016 0.000 2.513 832 D HA 0.548 5.203 4.640 0.025 0.000 0.222 832 D C 0.067 176.352 176.300 -0.025 0.000 1.210 832 D CA 0.705 54.698 54.000 -0.011 0.000 0.825 832 D CB -0.069 40.727 40.800 -0.007 0.000 1.037 832 D HN 0.520 nan 8.370 nan 0.000 0.506 833 A N -0.589 122.206 122.820 -0.041 0.000 2.564 833 A HA 0.611 4.946 4.320 0.025 0.000 0.291 833 A C -1.799 175.731 177.584 -0.090 0.000 1.102 833 A CA -0.676 51.322 52.037 -0.065 0.000 0.660 833 A CB 1.498 20.459 19.000 -0.065 0.000 1.283 833 A HN -0.003 nan 8.150 nan 0.000 0.430 834 V N 0.489 120.329 119.914 -0.123 0.000 2.555 834 V HA 0.640 4.775 4.120 0.025 0.000 0.302 834 V C -1.057 174.933 176.094 -0.174 0.000 1.038 834 V CA -0.449 61.756 62.300 -0.158 0.000 0.887 834 V CB 1.461 33.181 31.823 -0.172 0.000 0.991 834 V HN 0.853 nan 8.190 nan 0.000 0.434 835 L N 6.349 127.459 121.223 -0.189 0.000 2.325 835 L HA 0.642 4.997 4.340 0.025 0.000 0.281 835 L C -0.818 175.900 176.870 -0.253 0.000 1.004 835 L CA 0.031 54.766 54.840 -0.176 0.000 0.823 835 L CB 1.204 43.184 42.059 -0.130 0.000 1.236 835 L HN 0.402 nan 8.230 nan 0.000 0.415 836 I N 3.891 124.303 120.570 -0.263 0.000 2.412 836 I HA 0.465 4.649 4.170 0.025 0.000 0.296 836 I C -0.003 176.055 176.117 -0.097 0.000 0.987 836 I CA -0.288 60.803 61.300 -0.348 0.000 1.180 836 I CB 1.676 39.230 38.000 -0.743 0.000 1.340 836 I HN 0.551 nan 8.210 nan 0.000 0.455 837 T N 4.457 118.960 114.554 -0.085 0.000 2.824 837 T HA 0.648 5.013 4.350 0.025 0.000 0.282 837 T C 0.031 174.757 174.700 0.044 0.000 0.993 837 T CA -0.546 61.556 62.100 0.003 0.000 0.967 837 T CB 1.851 70.698 68.868 -0.035 0.000 0.960 837 T HN 0.796 nan 8.240 nan 0.000 0.441 838 T N -0.493 114.124 114.554 0.104 0.000 2.896 838 T HA 0.882 5.246 4.350 0.025 0.000 0.297 838 T C -1.202 173.527 174.700 0.049 0.000 1.108 838 T CA -1.055 61.085 62.100 0.067 0.000 1.004 838 T CB 2.026 70.998 68.868 0.173 0.000 1.159 838 T HN 0.794 nan 8.240 nan 0.000 0.499 839 A N 1.430 124.197 122.820 -0.088 0.000 2.455 839 A HA 0.788 5.122 4.320 0.025 0.000 0.300 839 A C -1.451 176.014 177.584 -0.197 0.000 1.040 839 A CA -0.767 51.264 52.037 -0.012 0.000 0.697 839 A CB 0.968 19.971 19.000 0.004 0.000 1.265 839 A HN 1.011 nan 8.150 nan 0.000 0.407 840 H N -0.108 119.019 119.070 0.095 0.000 2.895 840 H HA 0.772 5.343 4.556 0.025 0.000 0.373 840 H C -0.056 175.299 175.328 0.046 0.000 1.174 840 H CA 0.292 56.320 56.048 -0.034 0.000 1.144 840 H CB 2.157 31.809 29.762 -0.182 0.000 1.793 840 H HN 1.007 nan 8.280 nan 0.000 0.551 841 A N 1.687 124.531 122.820 0.041 0.000 2.350 841 A HA 0.450 4.785 4.320 0.025 0.000 0.324 841 A C -1.331 176.257 177.584 0.007 0.000 1.118 841 A CA -0.686 51.438 52.037 0.145 0.000 0.783 841 A CB 1.137 20.188 19.000 0.084 0.000 1.236 841 A HN 0.587 nan 8.150 nan 0.000 0.457 842 W N 1.807 123.212 121.300 0.176 0.000 2.376 842 W HA 0.454 5.129 4.660 0.025 0.000 0.312 842 W C -0.530 176.006 176.519 0.029 0.000 1.060 842 W CA -0.103 57.340 57.345 0.165 0.000 1.221 842 W CB 1.804 31.422 29.460 0.264 0.000 1.281 842 W HN 0.822 nan 8.180 nan 0.000 0.456 843 Q N 1.751 121.679 119.800 0.214 0.000 2.484 843 Q HA 0.473 4.828 4.340 0.025 0.000 0.285 843 Q C -0.956 175.163 176.000 0.198 0.000 1.097 843 Q CA -0.933 54.953 55.803 0.138 0.000 0.802 843 Q CB 3.567 32.349 28.738 0.073 0.000 1.444 843 Q HN 0.360 nan 8.270 nan 0.000 0.429 844 H N 1.247 120.345 119.070 0.048 0.000 3.042 844 H HA 0.100 4.671 4.556 0.025 0.000 0.345 844 H C -1.059 174.297 175.328 0.047 0.000 1.052 844 H CA -0.293 55.794 56.048 0.065 0.000 1.311 844 H CB 1.471 31.287 29.762 0.090 0.000 1.810 844 H HN 0.692 nan 8.280 nan 0.000 0.505 845 Q N 2.879 122.385 119.800 -0.490 0.000 2.416 845 Q HA -0.177 4.178 4.340 0.025 0.000 0.319 845 Q C 1.018 176.957 176.000 -0.103 0.000 1.318 845 Q CA 1.638 57.257 55.803 -0.308 0.000 0.915 845 Q CB -1.746 26.821 28.738 -0.285 0.000 1.184 845 Q HN 1.172 nan 8.270 nan 0.000 0.444 846 G N -0.670 108.087 108.800 -0.071 0.000 2.168 846 G HA2 -0.409 3.566 3.960 0.025 0.000 0.257 846 G HA3 -0.409 3.566 3.960 0.025 0.000 0.257 846 G C 0.057 174.960 174.900 0.005 0.000 0.997 846 G CA 0.803 45.891 45.100 -0.021 0.000 0.708 846 G HN 0.628 nan 8.290 nan 0.000 0.520 847 K N 0.210 120.624 120.400 0.023 0.000 2.156 847 K HA 0.640 4.975 4.320 0.025 0.000 0.254 847 K C -0.056 176.558 176.600 0.024 0.000 0.950 847 K CA -0.437 55.867 56.287 0.029 0.000 0.849 847 K CB 1.093 33.619 32.500 0.044 0.000 1.100 847 K HN -0.031 nan 8.250 nan 0.000 0.434 848 T N 5.135 119.695 114.554 0.009 0.000 2.729 848 T HA 0.215 4.580 4.350 0.025 0.000 0.296 848 T C 1.041 175.691 174.700 -0.083 0.000 0.928 848 T CA -0.486 61.617 62.100 0.004 0.000 1.045 848 T CB 0.478 69.366 68.868 0.034 0.000 0.902 848 T HN 0.546 nan 8.240 nan 0.000 0.500 849 L N 2.272 123.359 121.223 -0.228 0.000 2.130 849 L HA 0.363 4.718 4.340 0.025 0.000 0.200 849 L C -0.029 176.363 176.870 -0.797 0.000 1.075 849 L CA 0.826 55.264 54.840 -0.669 0.000 0.768 849 L CB 0.031 41.289 42.059 -1.335 0.000 0.933 849 L HN 0.522 nan 8.230 nan 0.000 0.451 850 F N -0.944 118.961 119.950 -0.075 0.000 2.599 850 F HA 0.584 5.126 4.527 0.025 0.000 0.311 850 F C -0.474 175.429 175.800 0.173 0.000 1.076 850 F CA -0.814 57.077 58.000 -0.182 0.000 0.937 850 F CB 2.132 40.598 39.000 -0.891 0.000 1.282 850 F HN -0.308 nan 8.300 nan 0.000 0.460 851 I N 1.478 122.272 120.570 0.374 0.000 2.466 851 I HA 0.367 4.552 4.170 0.025 0.000 0.289 851 I C -0.854 175.526 176.117 0.439 0.000 1.026 851 I CA -0.507 61.041 61.300 0.413 0.000 1.078 851 I CB 2.232 40.384 38.000 0.254 0.000 1.249 851 I HN 0.550 nan 8.210 nan 0.000 0.429 852 S N 6.758 122.811 115.700 0.590 0.000 2.552 852 S HA 0.597 5.082 4.470 0.025 0.000 0.314 852 S C -0.740 174.090 174.600 0.383 0.000 1.099 852 S CA -0.663 57.843 58.200 0.509 0.000 1.070 852 S CB 0.817 64.441 63.200 0.706 0.000 0.998 852 S HN 0.559 nan 8.310 nan 0.000 0.474 853 R N 3.370 124.018 120.500 0.247 0.000 2.494 853 R HA 0.581 4.935 4.340 0.025 0.000 0.305 853 R C -0.743 175.619 176.300 0.102 0.000 0.959 853 R CA -0.783 55.418 56.100 0.168 0.000 0.864 853 R CB 1.845 32.220 30.300 0.125 0.000 1.159 853 R HN 0.574 nan 8.270 nan 0.000 0.446 854 K N 0.770 121.220 120.400 0.083 0.000 2.480 854 K HA 0.476 4.811 4.320 0.025 0.000 0.258 854 K C -0.817 175.750 176.600 -0.055 0.000 0.990 854 K CA -0.928 55.333 56.287 -0.044 0.000 0.857 854 K CB 2.564 35.011 32.500 -0.090 0.000 1.384 854 K HN 0.645 nan 8.250 nan 0.000 0.446 855 T N -1.507 112.941 114.554 -0.176 0.000 2.893 855 T HA 0.574 4.938 4.350 0.025 0.000 0.293 855 T C -1.313 173.247 174.700 -0.233 0.000 1.027 855 T CA -0.737 61.301 62.100 -0.103 0.000 0.988 855 T CB 0.580 69.420 68.868 -0.047 0.000 1.043 855 T HN 0.412 nan 8.240 nan 0.000 0.461 856 Y N 0.791 121.064 120.300 -0.045 0.000 2.350 856 Y HA 0.659 5.224 4.550 0.025 0.000 0.338 856 Y C 0.440 176.276 175.900 -0.107 0.000 0.961 856 Y CA -1.059 57.028 58.100 -0.021 0.000 1.100 856 Y CB 2.018 40.499 38.460 0.035 0.000 1.179 856 Y HN 0.681 nan 8.280 nan 0.000 0.454 857 R N 4.788 125.313 120.500 0.041 0.000 2.435 857 R HA 0.604 4.958 4.340 0.025 0.000 0.308 857 R C -1.782 174.462 176.300 -0.093 0.000 0.975 857 R CA -0.411 55.663 56.100 -0.043 0.000 0.867 857 R CB 0.698 30.980 30.300 -0.030 0.000 1.171 857 R HN 0.809 nan 8.270 nan 0.000 0.470 858 I N 5.190 125.646 120.570 -0.189 0.000 2.330 858 I HA 0.208 4.393 4.170 0.025 0.000 0.289 858 I C -0.175 175.821 176.117 -0.201 0.000 1.001 858 I CA -0.740 60.371 61.300 -0.315 0.000 1.193 858 I CB 1.397 39.006 38.000 -0.652 0.000 1.345 858 I HN 0.672 nan 8.210 nan 0.000 0.461 859 D N 4.306 124.627 120.400 -0.131 0.000 2.592 859 D HA 0.257 4.911 4.640 0.025 0.000 0.259 859 D C 1.298 177.579 176.300 -0.032 0.000 1.144 859 D CA -0.725 53.235 54.000 -0.067 0.000 1.080 859 D CB 0.625 41.402 40.800 -0.037 0.000 1.225 859 D HN 0.460 nan 8.370 nan 0.000 0.619 860 G N -1.036 107.758 108.800 -0.009 0.000 2.479 860 G HA2 -0.240 3.735 3.960 0.025 0.000 0.220 860 G HA3 -0.240 3.735 3.960 0.025 0.000 0.220 860 G C 1.237 176.144 174.900 0.012 0.000 1.115 860 G CA 1.325 46.434 45.100 0.015 0.000 0.757 860 G HN 0.570 nan 8.290 nan 0.000 0.560 861 S N -0.873 114.824 115.700 -0.005 0.000 2.562 861 S HA 0.355 4.840 4.470 0.025 0.000 0.221 861 S C 1.911 176.542 174.600 0.052 0.000 0.975 861 S CA 0.948 59.143 58.200 -0.008 0.000 0.918 861 S CB -0.047 63.143 63.200 -0.016 0.000 0.772 861 S HN 1.515 nan 8.310 nan 0.000 0.531 862 G N 0.249 109.096 108.800 0.079 0.000 2.179 862 G HA2 -0.268 3.706 3.960 0.025 0.000 0.260 862 G HA3 -0.268 3.706 3.960 0.025 0.000 0.260 862 G C -0.138 174.873 174.900 0.186 0.000 0.977 862 G CA 0.241 45.458 45.100 0.195 0.000 0.641 862 G HN 0.615 nan 8.290 nan 0.000 0.533 863 Q N -0.457 119.393 119.800 0.084 0.000 2.259 863 Q HA 0.687 5.041 4.340 0.025 0.000 0.249 863 Q C 0.359 176.377 176.000 0.030 0.000 0.914 863 Q CA -0.242 55.620 55.803 0.099 0.000 0.904 863 Q CB 1.182 29.968 28.738 0.081 0.000 1.213 863 Q HN 0.436 nan 8.270 nan 0.000 0.428 864 M N 2.201 121.864 119.600 0.104 0.000 2.072 864 M HA 0.553 5.048 4.480 0.025 0.000 0.331 864 M C -1.470 174.928 176.300 0.163 0.000 1.004 864 M CA -0.543 54.791 55.300 0.055 0.000 0.952 864 M CB 0.931 33.574 32.600 0.072 0.000 1.511 864 M HN 0.679 nan 8.290 nan 0.000 0.422 865 A N 6.986 129.866 122.820 0.099 0.000 2.260 865 A HA 0.687 5.022 4.320 0.025 0.000 0.308 865 A C -0.800 176.824 177.584 0.066 0.000 1.254 865 A CA -0.599 51.498 52.037 0.099 0.000 0.874 865 A CB 0.163 19.201 19.000 0.063 0.000 1.153 865 A HN 0.920 nan 8.150 nan 0.000 0.527 866 I N 2.425 123.024 120.570 0.049 0.000 2.362 866 I HA 0.329 4.513 4.170 0.025 0.000 0.289 866 I C -0.105 175.917 176.117 -0.159 0.000 0.994 866 I CA -0.194 61.038 61.300 -0.113 0.000 1.158 866 I CB 2.145 40.104 38.000 -0.069 0.000 1.315 866 I HN 0.496 nan 8.210 nan 0.000 0.451 867 T N 5.701 120.120 114.554 -0.226 0.000 2.823 867 T HA 0.577 4.942 4.350 0.025 0.000 0.279 867 T C -0.369 174.131 174.700 -0.333 0.000 0.998 867 T CA -0.465 61.502 62.100 -0.221 0.000 0.994 867 T CB 1.991 70.827 68.868 -0.054 0.000 0.960 867 T HN 0.210 nan 8.240 nan 0.000 0.448 868 V N 3.573 123.168 119.914 -0.531 0.000 2.531 868 V HA 0.468 4.603 4.120 0.025 0.000 0.301 868 V C -0.812 175.115 176.094 -0.278 0.000 1.034 868 V CA -0.914 61.092 62.300 -0.491 0.000 0.865 868 V CB 2.044 33.289 31.823 -0.964 0.000 0.995 868 V HN 0.847 nan 8.190 nan 0.000 0.424 869 D N 3.327 123.721 120.400 -0.010 0.000 2.492 869 D HA 0.565 5.220 4.640 0.025 0.000 0.248 869 D C -1.000 175.415 176.300 0.193 0.000 1.101 869 D CA -0.100 53.990 54.000 0.149 0.000 0.840 869 D CB 2.760 43.671 40.800 0.185 0.000 1.209 869 D HN 0.259 nan 8.370 nan 0.000 0.524 870 V N 2.398 122.466 119.914 0.256 0.000 2.680 870 V HA 0.285 4.420 4.120 0.025 0.000 0.309 870 V C 0.034 176.270 176.094 0.237 0.000 1.052 870 V CA -0.754 61.712 62.300 0.278 0.000 0.908 870 V CB 2.484 34.517 31.823 0.350 0.000 1.001 870 V HN 0.362 nan 8.190 nan 0.000 0.431 871 E N 2.399 122.726 120.200 0.210 0.000 2.179 871 E HA 0.634 4.998 4.350 0.025 0.000 0.275 871 E C -1.475 175.239 176.600 0.190 0.000 0.945 871 E CA -0.595 55.907 56.400 0.171 0.000 0.792 871 E CB 2.453 32.238 29.700 0.142 0.000 1.125 871 E HN 0.409 nan 8.360 nan 0.000 0.397 872 V N 2.151 122.179 119.914 0.190 0.000 2.443 872 V HA 0.349 4.484 4.120 0.025 0.000 0.293 872 V C 0.102 176.288 176.094 0.153 0.000 1.021 872 V CA -1.008 61.428 62.300 0.227 0.000 0.848 872 V CB 1.372 33.369 31.823 0.290 0.000 0.998 872 V HN 0.844 nan 8.190 nan 0.000 0.424 873 A N 3.581 126.449 122.820 0.079 0.000 2.565 873 A HA 0.247 4.582 4.320 0.025 0.000 0.237 873 A C 1.640 179.290 177.584 0.110 0.000 1.053 873 A CA 0.683 52.757 52.037 0.061 0.000 0.755 873 A CB 0.227 19.229 19.000 0.003 0.000 0.980 873 A HN 1.384 nan 8.150 nan 0.000 0.506 874 S N 1.119 116.881 115.700 0.103 0.000 2.423 874 S HA -0.146 4.339 4.470 0.025 0.000 0.231 874 S C 0.893 175.569 174.600 0.126 0.000 1.014 874 S CA 1.210 59.490 58.200 0.134 0.000 0.965 874 S CB -0.279 62.980 63.200 0.099 0.000 0.785 874 S HN 0.835 nan 8.310 nan 0.000 0.495 875 D N 0.616 121.066 120.400 0.083 0.000 2.328 875 D HA 0.135 4.790 4.640 0.025 0.000 0.221 875 D C 0.494 176.829 176.300 0.059 0.000 1.072 875 D CA 0.046 54.080 54.000 0.057 0.000 0.850 875 D CB -0.329 40.492 40.800 0.036 0.000 0.922 875 D HN 0.328 nan 8.370 nan 0.000 0.516 876 T N 0.922 115.536 114.554 0.100 0.000 2.943 876 T HA 0.440 4.805 4.350 0.025 0.000 0.284 876 T C -2.651 172.156 174.700 0.179 0.000 1.015 876 T CA -2.056 60.127 62.100 0.138 0.000 1.042 876 T CB 1.303 70.263 68.868 0.153 0.000 1.055 876 T HN -0.182 nan 8.240 nan 0.000 0.500 877 P HA 0.103 nan 4.420 nan 0.000 0.266 877 P C -0.667 176.924 177.300 0.485 0.000 1.195 877 P CA 0.093 63.283 63.100 0.151 0.000 0.768 877 P CB -0.105 31.650 31.700 0.092 0.000 0.838 878 H N 3.438 122.858 119.070 0.583 0.000 3.070 878 H HA 0.064 4.634 4.556 0.025 0.000 0.313 878 H C -1.557 174.132 175.328 0.602 0.000 0.997 878 H CA -1.285 55.067 56.048 0.506 0.000 1.438 878 H CB -0.463 29.539 29.762 0.399 0.000 1.455 878 H HN 0.384 nan 8.280 nan 0.000 0.575 879 P HA 0.000 nan 4.420 nan 0.000 0.274 879 P C 0.205 177.415 177.300 -0.150 0.000 1.237 879 P CA -0.279 62.913 63.100 0.154 0.000 0.793 879 P CB 1.075 32.696 31.700 -0.132 0.000 0.977 880 A N 3.117 125.558 122.820 -0.632 0.000 1.972 880 A HA -0.117 4.218 4.320 0.025 0.000 0.219 880 A C 1.055 178.245 177.584 -0.657 0.000 1.169 880 A CA 1.406 53.029 52.037 -0.690 0.000 0.635 880 A CB -0.575 17.784 19.000 -1.068 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.446 881 R N -3.089 117.065 120.500 -0.576 0.000 2.741 881 R HA 0.715 5.070 4.340 0.025 0.000 0.276 881 R C -1.664 174.396 176.300 -0.400 0.000 1.028 881 R CA -0.834 54.950 56.100 -0.527 0.000 0.865 881 R CB 0.721 30.655 30.300 -0.611 0.000 1.268 881 R HN -0.004 nan 8.270 nan 0.000 0.475 882 I N 1.036 121.404 120.570 -0.337 0.000 2.542 882 I HA 0.622 4.807 4.170 0.025 0.000 0.278 882 I C -0.488 175.412 176.117 -0.360 0.000 1.069 882 I CA -0.403 60.731 61.300 -0.276 0.000 1.100 882 I CB 1.767 39.694 38.000 -0.121 0.000 1.204 882 I HN 0.959 nan 8.210 nan 0.000 0.470 883 G N 5.670 114.194 108.800 -0.461 0.000 2.731 883 G HA2 0.796 4.770 3.960 0.025 0.000 0.309 883 G HA3 0.796 4.770 3.960 0.025 0.000 0.309 883 G C -1.643 173.098 174.900 -0.265 0.000 1.273 883 G CA -0.547 44.330 45.100 -0.372 0.000 0.798 883 G HN 0.259 nan 8.290 nan 0.000 0.509 884 L N 0.601 121.715 121.223 -0.182 0.000 2.309 884 L HA 0.662 5.017 4.340 0.025 0.000 0.261 884 L C -0.641 176.130 176.870 -0.165 0.000 1.021 884 L CA -1.099 53.661 54.840 -0.133 0.000 0.823 884 L CB 2.545 44.604 42.059 -0.001 0.000 1.366 884 L HN 0.782 nan 8.230 nan 0.000 0.423 885 N N 0.394 119.024 118.700 -0.117 0.000 2.591 885 N HA 0.676 5.430 4.740 0.025 0.000 0.263 885 N C -1.473 174.037 175.510 0.000 0.000 1.308 885 N CA -0.444 52.564 53.050 -0.071 0.000 0.837 885 N CB 2.520 40.977 38.487 -0.051 0.000 1.548 885 N HN 0.858 nan 8.380 nan 0.000 0.493 886 C N -0.767 118.551 119.300 0.030 0.000 3.312 886 C HA 0.566 5.041 4.460 0.025 0.000 0.332 886 C C -1.183 173.655 174.990 -0.254 0.000 1.340 886 C CA -0.820 58.175 59.018 -0.040 0.000 1.265 886 C CB 1.009 28.744 27.740 -0.008 0.000 1.563 886 C HN 0.842 nan 8.230 nan 0.000 0.471 887 Q N 1.478 120.914 119.800 -0.606 0.000 2.372 887 Q HA 0.644 4.999 4.340 0.025 0.000 0.259 887 Q C -1.074 174.636 176.000 -0.485 0.000 0.993 887 Q CA -0.450 54.735 55.803 -1.029 0.000 0.854 887 Q CB 0.902 28.626 28.738 -1.690 0.000 1.231 887 Q HN 0.788 nan 8.270 nan 0.000 0.462 888 L N 2.710 123.746 121.223 -0.310 0.000 2.417 888 L HA 0.248 4.603 4.340 0.025 0.000 0.268 888 L C 1.167 177.966 176.870 -0.118 0.000 1.158 888 L CA -0.146 54.632 54.840 -0.103 0.000 0.819 888 L CB 0.891 42.981 42.059 0.051 0.000 1.112 888 L HN 0.842 nan 8.230 nan 0.000 0.458 889 A N 2.307 125.085 122.820 -0.069 0.000 2.014 889 A HA -0.101 4.234 4.320 0.025 0.000 0.218 889 A C 1.049 178.618 177.584 -0.025 0.000 1.163 889 A CA 0.535 52.526 52.037 -0.077 0.000 0.652 889 A CB -0.244 18.703 19.000 -0.087 0.000 0.808 889 A HN 0.808 nan 8.150 nan 0.000 0.449 890 Q N -0.060 119.765 119.800 0.041 0.000 2.340 890 Q HA 0.456 4.810 4.340 0.025 0.000 0.249 890 Q C -1.229 174.815 176.000 0.073 0.000 0.957 890 Q CA -0.125 55.702 55.803 0.040 0.000 0.882 890 Q CB 1.063 29.840 28.738 0.066 0.000 1.235 890 Q HN 0.105 nan 8.270 nan 0.000 0.439 891 V N 3.098 123.021 119.914 0.016 0.000 2.409 891 V HA 0.760 4.895 4.120 0.025 0.000 0.291 891 V C -0.514 175.540 176.094 -0.067 0.000 1.020 891 V CA -0.390 61.945 62.300 0.058 0.000 0.848 891 V CB 0.980 32.822 31.823 0.032 0.000 0.990 891 V HN 0.914 nan 8.190 nan 0.000 0.430 892 A N 3.386 126.092 122.820 -0.190 0.000 2.330 892 A HA 0.706 5.041 4.320 0.025 0.000 0.329 892 A C 0.796 178.363 177.584 -0.029 0.000 1.135 892 A CA -0.495 51.352 52.037 -0.317 0.000 0.817 892 A CB 1.088 19.579 19.000 -0.849 0.000 1.269 892 A HN 0.773 nan 8.150 nan 0.000 0.469 893 E N 0.435 120.623 120.200 -0.021 0.000 2.107 893 E HA -0.063 4.302 4.350 0.025 0.000 0.191 893 E C 0.129 176.797 176.600 0.114 0.000 0.982 893 E CA 0.858 57.288 56.400 0.049 0.000 0.809 893 E CB 0.087 29.801 29.700 0.023 0.000 0.756 893 E HN 0.477 nan 8.360 nan 0.000 0.459 894 R N 0.209 120.785 120.500 0.127 0.000 2.892 894 R HA 0.562 4.916 4.340 0.025 0.000 0.265 894 R C -0.463 176.021 176.300 0.306 0.000 1.025 894 R CA -0.868 55.344 56.100 0.188 0.000 0.982 894 R CB 1.762 32.142 30.300 0.134 0.000 1.185 894 R HN -0.182 nan 8.270 nan 0.000 0.484 895 V N 1.717 121.822 119.914 0.319 0.000 2.531 895 V HA 0.384 4.519 4.120 0.025 0.000 0.301 895 V C -0.301 176.070 176.094 0.461 0.000 1.034 895 V CA -0.919 61.608 62.300 0.380 0.000 0.865 895 V CB 1.870 33.857 31.823 0.274 0.000 0.995 895 V HN 0.663 nan 8.190 nan 0.000 0.424 896 N N 4.463 123.413 118.700 0.416 0.000 2.346 896 N HA 0.519 5.274 4.740 0.025 0.000 0.289 896 N C -1.439 174.329 175.510 0.431 0.000 1.027 896 N CA -0.440 52.828 53.050 0.363 0.000 0.864 896 N CB 2.629 41.220 38.487 0.174 0.000 1.370 896 N HN 0.829 nan 8.380 nan 0.000 0.481 897 W N 3.126 124.465 121.300 0.065 0.000 3.118 897 W HA 0.587 5.262 4.660 0.024 0.000 0.328 897 W C -1.947 174.549 176.519 -0.038 0.000 1.239 897 W CA -1.137 56.224 57.345 0.028 0.000 1.176 897 W CB 0.766 30.267 29.460 0.068 0.000 1.433 897 W HN 0.219 nan 8.180 nan 0.000 0.562 898 L N 4.105 125.328 121.223 0.001 0.000 2.283 898 L HA 0.896 5.251 4.340 0.025 0.000 0.281 898 L C -0.037 176.700 176.870 -0.221 0.000 1.033 898 L CA 0.295 54.954 54.840 -0.302 0.000 0.848 898 L CB 0.464 42.433 42.059 -0.149 0.000 1.226 898 L HN 0.950 nan 8.230 nan 0.000 0.429 899 G N 3.632 112.175 108.800 -0.429 0.000 2.435 899 G HA2 0.254 4.229 3.960 0.025 0.000 0.296 899 G HA3 0.254 4.229 3.960 0.025 0.000 0.296 899 G C -1.651 173.279 174.900 0.050 0.000 1.240 899 G CA -1.002 44.092 45.100 -0.011 0.000 0.872 899 G HN 0.384 nan 8.290 nan 0.000 0.480 900 L N 0.960 122.356 121.223 0.290 0.000 2.349 900 L HA 0.650 5.005 4.340 0.025 0.000 0.275 900 L C 1.032 178.017 176.870 0.192 0.000 1.115 900 L CA 0.667 55.635 54.840 0.214 0.000 0.820 900 L CB 0.880 43.011 42.059 0.120 0.000 1.135 900 L HN 1.149 nan 8.230 nan 0.000 0.445 901 G N 2.579 111.273 108.800 -0.178 0.000 2.348 901 G HA2 0.225 4.200 3.960 0.025 0.000 0.296 901 G HA3 0.225 4.200 3.960 0.025 0.000 0.296 901 G C -2.757 171.333 174.900 -1.349 0.000 1.258 901 G CA -0.243 44.415 45.100 -0.736 0.000 0.868 901 G HN 0.312 nan 8.290 nan 0.000 0.488 902 P HA 0.101 nan 4.420 nan 0.000 0.235 902 P C 0.430 177.537 177.300 -0.323 0.000 1.177 902 P CA 0.592 63.029 63.100 -1.106 0.000 0.785 902 P CB 0.478 31.657 31.700 -0.869 0.000 0.885 903 Q N 0.488 120.095 119.800 -0.322 0.000 2.318 903 Q HA 0.169 4.524 4.340 0.025 0.000 0.222 903 Q C 0.316 176.208 176.000 -0.179 0.000 1.003 903 Q CA -0.693 54.999 55.803 -0.186 0.000 0.936 903 Q CB 0.674 29.318 28.738 -0.158 0.000 1.204 903 Q HN 0.105 nan 8.270 nan 0.000 0.524 904 E N 1.280 121.382 120.200 -0.165 0.000 2.608 904 E HA -0.134 4.231 4.350 0.025 0.000 0.259 904 E C -1.129 175.387 176.600 -0.140 0.000 0.951 904 E CA 0.336 56.626 56.400 -0.184 0.000 0.945 904 E CB 0.200 29.866 29.700 -0.057 0.000 0.916 904 E HN 0.575 nan 8.360 nan 0.000 0.477 905 N N 2.759 121.294 118.700 -0.276 0.000 2.331 905 N HA 0.348 5.103 4.740 0.025 0.000 0.280 905 N C -1.815 173.454 175.510 -0.402 0.000 1.155 905 N CA -0.688 52.255 53.050 -0.179 0.000 0.822 905 N CB 0.772 39.177 38.487 -0.137 0.000 1.619 905 N HN 0.233 nan 8.380 nan 0.000 0.476 906 Y N -0.196 120.005 120.300 -0.165 0.000 2.633 906 Y HA 0.501 5.066 4.550 0.025 0.000 0.339 906 Y C -1.638 174.177 175.900 -0.142 0.000 1.045 906 Y CA -2.023 55.962 58.100 -0.191 0.000 1.098 906 Y CB 1.854 40.194 38.460 -0.199 0.000 1.296 906 Y HN 0.438 nan 8.280 nan 0.000 0.494 907 P HA -0.195 nan 4.420 nan 0.000 0.216 907 P C 0.412 177.566 177.300 -0.245 0.000 1.157 907 P CA 2.237 65.354 63.100 0.028 0.000 0.880 907 P CB 0.162 31.991 31.700 0.215 0.000 0.791 908 D N -2.227 117.800 120.400 -0.621 0.000 2.325 908 D HA -0.007 4.648 4.640 0.025 0.000 0.225 908 D C 0.727 176.862 176.300 -0.276 0.000 1.096 908 D CA 0.129 53.577 54.000 -0.920 0.000 0.844 908 D CB -0.332 39.735 40.800 -1.222 0.000 0.925 908 D HN 0.136 nan 8.370 nan 0.000 0.513 909 R N 0.964 121.403 120.500 -0.102 0.000 2.640 909 R HA 0.181 4.536 4.340 0.025 0.000 0.240 909 R C -0.685 175.639 176.300 0.039 0.000 1.519 909 R CA -0.159 55.948 56.100 0.012 0.000 1.570 909 R CB 0.030 30.341 30.300 0.019 0.000 1.446 909 R HN 0.109 nan 8.270 nan 0.000 0.738 910 L N -1.868 119.385 121.223 0.050 0.000 3.410 910 L HA 0.352 4.707 4.340 0.025 0.000 0.309 910 L C 1.266 178.185 176.870 0.082 0.000 1.254 910 L CA 0.029 54.897 54.840 0.047 0.000 1.048 910 L CB 0.206 42.282 42.059 0.029 0.000 1.442 910 L HN 0.069 nan 8.230 nan 0.000 0.615 911 T N -2.777 111.852 114.554 0.126 0.000 2.867 911 T HA 0.022 4.387 4.350 0.025 0.000 0.268 911 T C 1.768 176.486 174.700 0.030 0.000 1.057 911 T CA 1.259 63.456 62.100 0.161 0.000 1.136 911 T CB -0.283 68.747 68.868 0.269 0.000 0.874 911 T HN 0.384 nan 8.240 nan 0.000 0.466 912 A N 1.562 124.398 122.820 0.027 0.000 2.119 912 A HA 0.650 4.985 4.320 0.025 0.000 0.216 912 A C 1.609 179.243 177.584 0.083 0.000 1.152 912 A CA 0.493 52.484 52.037 -0.078 0.000 0.708 912 A CB -0.913 18.198 19.000 0.186 0.000 0.805 912 A HN 0.830 nan 8.150 nan 0.000 0.460 913 A N -1.093 121.737 122.820 0.017 0.000 2.386 913 A HA 0.453 4.788 4.320 0.025 0.000 0.248 913 A C 0.046 177.636 177.584 0.011 0.000 1.082 913 A CA -0.085 51.925 52.037 -0.044 0.000 0.789 913 A CB -0.084 18.884 19.000 -0.054 0.000 1.025 913 A HN 0.458 nan 8.150 nan 0.000 0.490 914 C N 0.495 119.797 119.300 0.003 0.000 2.529 914 C HA 0.560 5.035 4.460 0.025 0.000 0.329 914 C C -0.124 174.960 174.990 0.156 0.000 1.194 914 C CA -0.450 58.630 59.018 0.103 0.000 1.779 914 C CB 0.872 28.703 27.740 0.153 0.000 2.322 914 C HN 0.783 nan 8.230 nan 0.000 0.500 915 F N 3.630 123.412 119.950 -0.278 0.000 2.444 915 F HA 0.468 5.010 4.527 0.025 0.000 0.360 915 F C 0.346 175.829 175.800 -0.529 0.000 1.106 915 F CA 1.028 58.719 58.000 -0.515 0.000 1.170 915 F CB -0.080 38.067 39.000 -1.421 0.000 1.113 915 F HN 0.625 nan 8.300 nan 0.000 0.521 916 D N 3.383 123.104 120.400 -1.131 0.000 2.992 916 D HA 0.201 4.856 4.640 0.025 0.000 0.349 916 D C -1.619 173.788 176.300 -1.488 0.000 1.393 916 D CA -0.714 52.525 54.000 -1.268 0.000 0.887 916 D CB 1.611 41.561 40.800 -1.416 0.000 1.447 916 D HN 0.489 nan 8.370 nan 0.000 0.524 917 R N 0.583 120.294 120.500 -1.315 0.000 2.265 917 R HA 0.535 4.889 4.340 0.025 0.000 0.328 917 R C -1.483 174.102 176.300 -1.192 0.000 0.969 917 R CA -0.320 55.167 56.100 -1.022 0.000 0.832 917 R CB 0.425 30.375 30.300 -0.583 0.000 1.139 917 R HN 0.285 nan 8.270 nan 0.000 0.457 918 W N 2.393 123.187 121.300 -0.842 0.000 2.719 918 W HA 0.432 5.107 4.660 0.025 0.000 0.352 918 W C -0.511 175.644 176.519 -0.606 0.000 1.085 918 W CA -0.653 56.155 57.345 -0.894 0.000 1.187 918 W CB 1.748 30.210 29.460 -1.662 0.000 1.417 918 W HN 0.394 nan 8.180 nan 0.000 0.557 919 D N 2.301 122.661 120.400 -0.067 0.000 2.763 919 D HA 0.482 5.137 4.640 0.025 0.000 0.235 919 D C -1.566 174.838 176.300 0.174 0.000 1.334 919 D CA -0.167 53.887 54.000 0.090 0.000 0.950 919 D CB 1.159 41.973 40.800 0.023 0.000 1.433 919 D HN 0.383 nan 8.370 nan 0.000 0.580 920 L N 3.087 124.491 121.223 0.301 0.000 2.359 920 L HA 0.541 4.896 4.340 0.025 0.000 0.256 920 L C -2.310 174.682 176.870 0.203 0.000 1.026 920 L CA -2.194 52.789 54.840 0.237 0.000 0.828 920 L CB 2.887 45.130 42.059 0.307 0.000 1.406 920 L HN 0.197 nan 8.230 nan 0.000 0.413 921 P HA 0.000 nan 4.420 nan 0.000 0.269 921 P C 0.523 177.903 177.300 0.133 0.000 1.209 921 P CA -0.294 62.879 63.100 0.121 0.000 0.776 921 P CB 0.823 32.574 31.700 0.084 0.000 0.876 922 L N 3.616 124.923 121.223 0.140 0.000 2.081 922 L HA -0.242 4.113 4.340 0.025 0.000 0.212 922 L C 2.235 179.151 176.870 0.077 0.000 1.080 922 L CA 2.682 57.593 54.840 0.118 0.000 0.754 922 L CB -1.575 40.567 42.059 0.138 0.000 0.893 922 L HN 0.455 nan 8.230 nan 0.000 0.433 923 S N -1.890 113.858 115.700 0.079 0.000 2.442 923 S HA -0.158 4.327 4.470 0.025 0.000 0.236 923 S C 1.559 176.233 174.600 0.123 0.000 1.007 923 S CA 1.036 59.297 58.200 0.102 0.000 0.965 923 S CB -0.750 62.507 63.200 0.095 0.000 0.773 923 S HN 0.516 nan 8.310 nan 0.000 0.504 924 D N 1.217 121.667 120.400 0.083 0.000 2.371 924 D HA 0.080 4.735 4.640 0.025 0.000 0.221 924 D C 1.165 177.477 176.300 0.020 0.000 0.986 924 D CA 0.593 54.622 54.000 0.048 0.000 0.899 924 D CB -0.141 40.692 40.800 0.055 0.000 0.902 924 D HN 0.386 nan 8.370 nan 0.000 0.530 925 M N -0.466 119.153 119.600 0.032 0.000 2.563 925 M HA 0.063 4.557 4.480 0.025 0.000 0.231 925 M C -0.030 176.276 176.300 0.010 0.000 1.136 925 M CA -0.043 55.231 55.300 -0.044 0.000 1.026 925 M CB -0.795 31.761 32.600 -0.075 0.000 1.597 925 M HN -0.046 nan 8.290 nan 0.000 0.495 926 Y N -0.199 120.067 120.300 -0.057 0.000 2.425 926 Y HA 0.520 5.085 4.550 0.025 0.000 0.344 926 Y C -0.824 175.050 175.900 -0.042 0.000 0.969 926 Y CA -1.066 57.025 58.100 -0.015 0.000 1.052 926 Y CB 1.361 39.868 38.460 0.077 0.000 1.215 926 Y HN -0.127 nan 8.280 nan 0.000 0.451 927 T N 8.659 122.766 114.554 -0.745 0.000 2.756 927 T HA 0.298 4.663 4.350 0.025 0.000 0.290 927 T C -2.697 171.300 174.700 -1.172 0.000 0.985 927 T CA -1.517 60.096 62.100 -0.812 0.000 0.955 927 T CB 1.148 69.590 68.868 -0.710 0.000 0.930 927 T HN 0.454 nan 8.240 nan 0.000 0.451 928 P HA 0.136 nan 4.420 nan 0.000 0.225 928 P C -0.673 176.625 177.300 -0.003 0.000 1.768 928 P CA -0.440 62.348 63.100 -0.521 0.000 0.943 928 P CB -0.709 30.816 31.700 -0.291 0.000 1.936 929 Y N -0.261 120.083 120.300 0.074 0.000 2.610 929 Y HA -0.094 4.471 4.550 0.025 0.000 0.332 929 Y C 2.283 178.309 175.900 0.209 0.000 1.201 929 Y CA -0.471 57.746 58.100 0.195 0.000 1.465 929 Y CB 0.564 39.022 38.460 -0.003 0.000 1.283 929 Y HN -0.088 nan 8.280 nan 0.000 0.563 930 V N 3.536 123.742 119.914 0.487 0.000 2.282 930 V HA -0.318 3.817 4.120 0.025 0.000 0.249 930 V C 0.557 176.841 176.094 0.316 0.000 1.057 930 V CA 1.492 64.027 62.300 0.391 0.000 1.032 930 V CB -0.554 31.523 31.823 0.423 0.000 0.645 930 V HN 0.584 nan 8.190 nan 0.000 0.447 931 F N 3.159 123.162 119.950 0.088 0.000 2.371 931 F HA 0.517 5.059 4.527 0.025 0.000 0.363 931 F C -2.458 173.352 175.800 0.018 0.000 1.122 931 F CA -3.520 54.471 58.000 -0.015 0.000 1.129 931 F CB 0.716 39.589 39.000 -0.212 0.000 1.173 931 F HN -0.004 nan 8.300 nan 0.000 0.489 932 P HA 0.323 nan 4.420 nan 0.000 0.272 932 P C -1.068 175.905 177.300 -0.545 0.000 1.223 932 P CA -0.031 62.826 63.100 -0.405 0.000 0.784 932 P CB 1.352 32.862 31.700 -0.317 0.000 0.923 933 S N -0.503 115.078 115.700 -0.198 0.000 2.683 933 S HA 0.417 4.902 4.470 0.025 0.000 0.269 933 S C -0.842 173.748 174.600 -0.017 0.000 1.165 933 S CA -0.940 57.182 58.200 -0.129 0.000 0.840 933 S CB 0.214 63.362 63.200 -0.088 0.000 1.169 933 S HN 0.333 nan 8.310 nan 0.000 0.490 934 E N 1.320 121.521 120.200 0.002 0.000 2.608 934 E HA 0.331 4.696 4.350 0.025 0.000 0.259 934 E C -0.200 176.456 176.600 0.094 0.000 0.951 934 E CA 0.944 57.377 56.400 0.054 0.000 0.945 934 E CB -0.330 29.424 29.700 0.090 0.000 0.916 934 E HN 0.790 nan 8.360 nan 0.000 0.477 935 N N 1.603 120.398 118.700 0.158 0.000 3.046 935 N HA 0.482 5.237 4.740 0.025 0.000 0.243 935 N C 0.103 175.682 175.510 0.115 0.000 1.452 935 N CA -0.514 52.673 53.050 0.228 0.000 0.882 935 N CB 0.928 39.554 38.487 0.232 0.000 1.425 935 N HN 0.718 nan 8.380 nan 0.000 0.517 936 G N -1.176 107.655 108.800 0.051 0.000 2.155 936 G HA2 -0.262 3.713 3.960 0.025 0.000 0.257 936 G HA3 -0.262 3.713 3.960 0.025 0.000 0.257 936 G C -0.243 174.400 174.900 -0.429 0.000 0.983 936 G CA 0.450 45.450 45.100 -0.168 0.000 0.676 936 G HN 0.708 nan 8.290 nan 0.000 0.528 937 L N -0.274 120.603 121.223 -0.576 0.000 2.482 937 L HA 0.704 5.059 4.340 0.025 0.000 0.273 937 L C 0.705 176.983 176.870 -0.987 0.000 1.228 937 L CA 0.313 54.573 54.840 -0.965 0.000 0.827 937 L CB 0.571 41.731 42.059 -1.498 0.000 1.099 937 L HN 0.257 nan 8.230 nan 0.000 0.494 938 R N 1.872 121.719 120.500 -1.087 0.000 2.575 938 R HA 0.523 4.878 4.340 0.025 0.000 0.293 938 R C -1.003 174.962 176.300 -0.559 0.000 0.983 938 R CA -0.287 55.327 56.100 -0.810 0.000 0.887 938 R CB 1.474 31.200 30.300 -0.956 0.000 1.184 938 R HN 0.710 nan 8.270 nan 0.000 0.445 939 C N 0.095 119.211 119.300 -0.308 0.000 2.547 939 C HA 0.734 5.209 4.460 0.025 0.000 0.411 939 C C 1.256 176.233 174.990 -0.021 0.000 1.424 939 C CA 0.034 58.948 59.018 -0.173 0.000 1.848 939 C CB 1.323 28.987 27.740 -0.128 0.000 2.062 939 C HN 1.019 nan 8.230 nan 0.000 0.504 940 G N 1.495 110.295 108.800 -0.000 0.000 2.305 940 G HA2 -0.188 3.787 3.960 0.025 0.000 0.287 940 G HA3 -0.188 3.787 3.960 0.025 0.000 0.287 940 G C -0.057 174.917 174.900 0.123 0.000 1.036 940 G CA 0.627 45.779 45.100 0.087 0.000 0.887 940 G HN 0.787 nan 8.290 nan 0.000 0.505 941 T N -0.237 114.260 114.554 -0.094 0.000 2.767 941 T HA 0.540 4.905 4.350 0.025 0.000 0.288 941 T C 1.267 175.634 174.700 -0.555 0.000 0.963 941 T CA -0.550 61.422 62.100 -0.213 0.000 1.019 941 T CB 1.472 70.260 68.868 -0.135 0.000 0.923 941 T HN 0.160 nan 8.240 nan 0.000 0.468 942 R N 1.426 121.838 120.500 -0.146 0.000 2.254 942 R HA 0.313 4.668 4.340 0.025 0.000 0.193 942 R C 0.529 176.854 176.300 0.041 0.000 0.929 942 R CA 0.232 56.301 56.100 -0.051 0.000 1.038 942 R CB 0.225 30.629 30.300 0.173 0.000 1.009 942 R HN 0.710 nan 8.270 nan 0.000 0.512 943 E N 0.205 120.451 120.200 0.076 0.000 2.321 943 E HA 0.364 4.729 4.350 0.025 0.000 0.281 943 E C -1.775 174.980 176.600 0.258 0.000 0.910 943 E CA -0.704 55.827 56.400 0.218 0.000 0.770 943 E CB 1.450 31.242 29.700 0.152 0.000 1.225 943 E HN -0.070 nan 8.360 nan 0.000 0.417 944 L N 4.146 125.582 121.223 0.355 0.000 2.410 944 L HA 0.604 4.959 4.340 0.025 0.000 0.270 944 L C -1.833 175.224 176.870 0.311 0.000 0.983 944 L CA -0.362 54.616 54.840 0.230 0.000 0.822 944 L CB 1.765 43.773 42.059 -0.084 0.000 1.285 944 L HN 0.459 nan 8.230 nan 0.000 0.409 945 N N 4.382 123.236 118.700 0.257 0.000 2.314 945 N HA 0.424 5.179 4.740 0.025 0.000 0.294 945 N C -1.978 173.746 175.510 0.357 0.000 1.029 945 N CA -0.283 52.916 53.050 0.248 0.000 0.845 945 N CB 2.201 40.781 38.487 0.155 0.000 1.321 945 N HN 0.622 nan 8.380 nan 0.000 0.481 946 Y N 1.067 121.492 120.300 0.208 0.000 2.298 946 Y HA 0.386 4.951 4.550 0.025 0.000 0.322 946 Y C 0.514 176.522 175.900 0.180 0.000 1.138 946 Y CA 0.155 58.381 58.100 0.211 0.000 1.127 946 Y CB 0.522 39.159 38.460 0.295 0.000 1.178 946 Y HN 0.863 nan 8.280 nan 0.000 0.428 947 G N 6.461 115.094 108.800 -0.279 0.000 2.574 947 G HA2 -0.275 3.700 3.960 0.025 0.000 0.286 947 G HA3 -0.275 3.700 3.960 0.025 0.000 0.286 947 G C -1.995 172.798 174.900 -0.178 0.000 1.212 947 G CA 0.015 44.951 45.100 -0.273 0.000 0.979 947 G HN 0.585 nan 8.290 nan 0.000 0.557 948 P HA 0.195 nan 4.420 nan 0.000 0.257 948 P C 0.087 177.183 177.300 -0.340 0.000 1.281 948 P CA 0.481 63.410 63.100 -0.286 0.000 0.826 948 P CB 0.019 31.509 31.700 -0.351 0.000 1.237 949 H N 0.354 119.362 119.070 -0.103 0.000 2.483 949 H HA 0.479 5.050 4.556 0.025 0.000 0.338 949 H C -0.162 174.870 175.328 -0.494 0.000 1.152 949 H CA -0.114 55.758 56.048 -0.295 0.000 1.264 949 H CB 1.851 31.246 29.762 -0.612 0.000 1.510 949 H HN 0.070 nan 8.280 nan 0.000 0.530 950 Q N 2.157 121.663 119.800 -0.490 0.000 2.305 950 Q HA 0.230 4.584 4.340 0.025 0.000 0.271 950 Q C -1.660 174.053 176.000 -0.479 0.000 1.046 950 Q CA -0.712 54.895 55.803 -0.327 0.000 0.798 950 Q CB 2.075 30.778 28.738 -0.059 0.000 1.286 950 Q HN 0.567 nan 8.270 nan 0.000 0.435 951 W N 4.001 125.260 121.300 -0.068 0.000 2.587 951 W HA 0.548 5.223 4.660 0.025 0.000 0.324 951 W C -0.308 176.303 176.519 0.154 0.000 1.040 951 W CA -0.693 56.585 57.345 -0.111 0.000 1.222 951 W CB 1.957 31.146 29.460 -0.452 0.000 1.381 951 W HN 0.544 nan 8.180 nan 0.000 0.483 952 R N 0.946 121.687 120.500 0.402 0.000 2.670 952 R HA 0.801 5.155 4.340 0.025 0.000 0.289 952 R C 0.316 176.908 176.300 0.488 0.000 0.965 952 R CA -0.361 55.995 56.100 0.428 0.000 0.899 952 R CB 2.306 32.761 30.300 0.258 0.000 1.173 952 R HN 0.719 nan 8.270 nan 0.000 0.456 953 G N 0.734 109.822 108.800 0.480 0.000 2.566 953 G HA2 0.040 4.015 3.960 0.025 0.000 0.138 953 G HA3 0.040 4.015 3.960 0.025 0.000 0.138 953 G C -1.731 173.306 174.900 0.229 0.000 1.133 953 G CA -0.334 45.013 45.100 0.413 0.000 1.037 953 G HN 0.500 nan 8.290 nan 0.000 0.491 954 D N -0.026 120.508 120.400 0.223 0.000 2.411 954 D HA 0.573 5.227 4.640 0.025 0.000 0.239 954 D C -0.680 175.622 176.300 0.004 0.000 1.307 954 D CA -0.496 53.503 54.000 -0.002 0.000 0.930 954 D CB 0.125 40.961 40.800 0.060 0.000 1.395 954 D HN 0.536 nan 8.370 nan 0.000 0.536 955 F N -0.235 119.711 119.950 -0.007 0.000 2.790 955 F HA 0.749 5.291 4.527 0.025 0.000 0.337 955 F C -0.938 174.822 175.800 -0.068 0.000 1.163 955 F CA -1.016 56.914 58.000 -0.115 0.000 0.997 955 F CB 0.711 39.638 39.000 -0.122 0.000 1.437 955 F HN -0.147 nan 8.300 nan 0.000 0.512 956 Q N 1.387 121.270 119.800 0.138 0.000 2.348 956 Q HA 0.643 4.998 4.340 0.025 0.000 0.271 956 Q C -1.286 174.785 176.000 0.119 0.000 1.067 956 Q CA -0.533 55.261 55.803 -0.014 0.000 0.839 956 Q CB 2.728 31.352 28.738 -0.190 0.000 1.354 956 Q HN 0.858 nan 8.270 nan 0.000 0.447 957 F N -1.148 118.692 119.950 -0.184 0.000 2.686 957 F HA 0.759 5.301 4.527 0.025 0.000 0.311 957 F C -1.579 174.005 175.800 -0.359 0.000 1.128 957 F CA -1.083 56.763 58.000 -0.257 0.000 0.946 957 F CB 1.553 40.416 39.000 -0.230 0.000 1.336 957 F HN 0.579 nan 8.300 nan 0.000 0.457 958 N N 1.346 119.864 118.700 -0.303 0.000 2.329 958 N HA 0.737 5.492 4.740 0.025 0.000 0.282 958 N C -2.089 173.365 175.510 -0.094 0.000 1.198 958 N CA -0.763 52.081 53.050 -0.343 0.000 0.790 958 N CB 2.661 40.975 38.487 -0.289 0.000 1.579 958 N HN 1.135 nan 8.380 nan 0.000 0.475 959 I N 0.228 120.734 120.570 -0.107 0.000 2.649 959 I HA 0.694 4.879 4.170 0.025 0.000 0.289 959 I C -1.466 174.564 176.117 -0.145 0.000 1.222 959 I CA 0.033 61.234 61.300 -0.164 0.000 1.046 959 I CB 1.362 39.197 38.000 -0.275 0.000 1.272 959 I HN 1.063 nan 8.210 nan 0.000 0.425 960 S N 6.078 121.701 115.700 -0.128 0.000 2.655 960 S HA 0.498 4.983 4.470 0.025 0.000 0.266 960 S C -0.211 174.270 174.600 -0.198 0.000 1.149 960 S CA -1.010 57.098 58.200 -0.153 0.000 0.818 960 S CB 1.565 64.722 63.200 -0.073 0.000 1.130 960 S HN 0.636 nan 8.310 nan 0.000 0.476 961 R N -0.210 119.999 120.500 -0.485 0.000 2.320 961 R HA 0.240 4.595 4.340 0.025 0.000 0.211 961 R C -0.818 175.199 176.300 -0.472 0.000 0.931 961 R CA 0.343 56.152 56.100 -0.485 0.000 1.071 961 R CB -0.885 29.023 30.300 -0.653 0.000 1.025 961 R HN 0.657 nan 8.270 nan 0.000 0.495 962 Y N 0.268 120.548 120.300 -0.033 0.000 2.376 962 Y HA 0.206 4.771 4.550 0.025 0.000 0.340 962 Y C 0.738 176.437 175.900 -0.334 0.000 0.965 962 Y CA -1.139 56.857 58.100 -0.173 0.000 1.078 962 Y CB 1.448 39.750 38.460 -0.265 0.000 1.193 962 Y HN -0.100 nan 8.280 nan 0.000 0.452 963 S N 1.607 116.981 115.700 -0.544 0.000 2.593 963 S HA 0.053 4.538 4.470 0.025 0.000 0.269 963 S C 0.901 175.156 174.600 -0.574 0.000 1.334 963 S CA -0.771 56.708 58.200 -1.203 0.000 1.015 963 S CB 1.190 63.437 63.200 -1.589 0.000 0.912 963 S HN 0.729 nan 8.310 nan 0.000 0.541 964 Q N 0.749 120.234 119.800 -0.525 0.000 2.135 964 Q HA -0.213 4.142 4.340 0.025 0.000 0.204 964 Q C 2.204 178.064 176.000 -0.233 0.000 0.981 964 Q CA 1.880 57.518 55.803 -0.274 0.000 0.856 964 Q CB -0.594 28.018 28.738 -0.210 0.000 0.902 964 Q HN 0.952 nan 8.270 nan 0.000 0.425 965 Q N 0.637 120.261 119.800 -0.293 0.000 2.061 965 Q HA -0.240 4.115 4.340 0.025 0.000 0.204 965 Q C 2.128 178.025 176.000 -0.172 0.000 0.984 965 Q CA 1.749 57.436 55.803 -0.193 0.000 0.846 965 Q CB -0.015 28.616 28.738 -0.179 0.000 0.902 965 Q HN 0.446 nan 8.270 nan 0.000 0.421 966 Q N -0.036 119.635 119.800 -0.216 0.000 2.050 966 Q HA -0.170 4.184 4.340 0.025 0.000 0.202 966 Q C 2.258 178.145 176.000 -0.188 0.000 0.980 966 Q CA 1.446 57.141 55.803 -0.179 0.000 0.840 966 Q CB -0.087 28.521 28.738 -0.216 0.000 0.898 966 Q HN 0.472 nan 8.270 nan 0.000 0.424 967 L N 0.499 121.602 121.223 -0.200 0.000 2.083 967 L HA -0.187 4.168 4.340 0.025 0.000 0.209 967 L C 2.679 179.426 176.870 -0.206 0.000 1.083 967 L CA 1.384 56.101 54.840 -0.206 0.000 0.752 967 L CB -0.506 41.463 42.059 -0.150 0.000 0.899 967 L HN 0.457 nan 8.230 nan 0.000 0.433 968 M N -1.264 118.244 119.600 -0.154 0.000 2.562 968 M HA -0.055 4.439 4.480 0.025 0.000 0.257 968 M C 1.350 177.586 176.300 -0.107 0.000 1.099 968 M CA 1.529 56.754 55.300 -0.125 0.000 1.099 968 M CB -0.134 32.406 32.600 -0.101 0.000 1.427 968 M HN 0.082 nan 8.290 nan 0.000 0.489 969 E N 0.783 120.918 120.200 -0.108 0.000 2.474 969 E HA 0.124 4.489 4.350 0.025 0.000 0.195 969 E C -0.480 176.081 176.600 -0.064 0.000 1.039 969 E CA 0.090 56.450 56.400 -0.068 0.000 0.881 969 E CB 0.668 30.336 29.700 -0.052 0.000 0.970 969 E HN 0.407 nan 8.360 nan 0.000 0.486 970 T N -0.155 114.327 114.554 -0.120 0.000 2.807 970 T HA 0.137 4.502 4.350 0.025 0.000 0.279 970 T C 0.843 175.463 174.700 -0.133 0.000 0.993 970 T CA -0.568 61.462 62.100 -0.117 0.000 0.970 970 T CB 1.705 70.471 68.868 -0.170 0.000 0.950 970 T HN -0.004 nan 8.240 nan 0.000 0.441 971 S N 1.287 117.016 115.700 0.049 0.000 2.535 971 S HA 0.171 4.656 4.470 0.025 0.000 0.214 971 S C 0.130 174.870 174.600 0.233 0.000 0.980 971 S CA -0.007 58.324 58.200 0.218 0.000 0.907 971 S CB -0.171 63.300 63.200 0.452 0.000 0.790 971 S HN 0.731 nan 8.310 nan 0.000 0.510 972 H N 0.830 119.933 119.070 0.055 0.000 2.856 972 H HA 0.467 5.038 4.556 0.025 0.000 0.355 972 H C 0.894 176.214 175.328 -0.013 0.000 1.079 972 H CA -0.823 55.310 56.048 0.141 0.000 1.240 972 H CB 1.505 31.329 29.762 0.103 0.000 1.701 972 H HN 0.104 nan 8.280 nan 0.000 0.527 973 R N 2.045 122.672 120.500 0.213 0.000 2.127 973 R HA -0.174 4.180 4.340 0.025 0.000 0.238 973 R C 1.181 177.508 176.300 0.045 0.000 1.134 973 R CA 1.855 58.011 56.100 0.093 0.000 0.975 973 R CB -0.444 29.962 30.300 0.177 0.000 0.865 973 R HN 0.769 nan 8.270 nan 0.000 0.447 974 H N 1.089 120.181 119.070 0.037 0.000 2.545 974 H HA 0.020 4.590 4.556 0.025 0.000 0.282 974 H C 1.432 176.685 175.328 -0.125 0.000 1.020 974 H CA 0.790 56.810 56.048 -0.047 0.000 1.243 974 H CB -0.133 29.592 29.762 -0.062 0.000 1.377 974 H HN 0.320 nan 8.280 nan 0.000 0.581 975 L N 0.845 121.709 121.223 -0.598 0.000 2.607 975 L HA 0.220 4.575 4.340 0.025 0.000 0.228 975 L C 0.715 177.460 176.870 -0.208 0.000 1.123 975 L CA -0.161 54.404 54.840 -0.457 0.000 0.890 975 L CB 0.160 41.920 42.059 -0.499 0.000 1.103 975 L HN 0.052 nan 8.230 nan 0.000 0.468 976 L N 0.875 121.964 121.223 -0.223 0.000 2.452 976 L HA 0.139 4.494 4.340 0.025 0.000 0.267 976 L C 0.130 176.975 176.870 -0.041 0.000 1.188 976 L CA -0.070 54.608 54.840 -0.270 0.000 0.821 976 L CB 0.360 41.992 42.059 -0.712 0.000 1.102 976 L HN 0.205 nan 8.230 nan 0.000 0.470 977 H N 1.330 120.412 119.070 0.020 0.000 2.679 977 H HA 0.553 5.123 4.556 0.025 0.000 0.360 977 H C -0.785 174.685 175.328 0.236 0.000 1.105 977 H CA -1.248 54.868 56.048 0.114 0.000 1.196 977 H CB 1.299 31.082 29.762 0.035 0.000 1.636 977 H HN 0.674 nan 8.280 nan 0.000 0.531 978 A N 3.535 126.476 122.820 0.201 0.000 2.548 978 A HA 0.062 4.397 4.320 0.025 0.000 0.247 978 A C 0.401 178.016 177.584 0.052 0.000 1.067 978 A CA -0.020 51.996 52.037 -0.036 0.000 0.757 978 A CB -0.194 18.759 19.000 -0.079 0.000 0.996 978 A HN 0.821 nan 8.150 nan 0.000 0.504 979 E N 1.198 121.401 120.200 0.005 0.000 2.322 979 E HA 0.200 4.565 4.350 0.025 0.000 0.257 979 E C -0.024 176.607 176.600 0.052 0.000 1.155 979 E CA -0.641 55.832 56.400 0.121 0.000 0.936 979 E CB 0.704 30.551 29.700 0.245 0.000 1.130 979 E HN 0.798 nan 8.360 nan 0.000 0.465 980 E N 0.059 120.287 120.200 0.047 0.000 2.392 980 E HA 0.210 4.575 4.350 0.025 0.000 0.264 980 E C 0.290 176.838 176.600 -0.086 0.000 1.024 980 E CA 0.610 57.001 56.400 -0.015 0.000 0.903 980 E CB 0.431 30.118 29.700 -0.021 0.000 0.963 980 E HN 0.666 nan 8.360 nan 0.000 0.432 981 G N 2.606 111.358 108.800 -0.080 0.000 2.645 981 G HA2 -0.228 3.747 3.960 0.025 0.000 0.239 981 G HA3 -0.228 3.747 3.960 0.025 0.000 0.239 981 G C -0.613 174.211 174.900 -0.126 0.000 1.331 981 G CA -0.201 44.831 45.100 -0.112 0.000 0.890 981 G HN 0.597 nan 8.290 nan 0.000 0.572 982 T N 0.249 114.708 114.554 -0.158 0.000 2.841 982 T HA 0.506 4.871 4.350 0.025 0.000 0.285 982 T C -0.694 173.845 174.700 -0.268 0.000 0.991 982 T CA -0.133 61.880 62.100 -0.145 0.000 0.966 982 T CB 1.349 70.214 68.868 -0.004 0.000 0.962 982 T HN 0.552 nan 8.240 nan 0.000 0.438 983 W N 3.283 124.482 121.300 -0.168 0.000 2.322 983 W HA 0.585 5.260 4.660 0.025 0.000 0.307 983 W C -0.256 176.127 176.519 -0.226 0.000 1.220 983 W CA -0.703 56.542 57.345 -0.166 0.000 1.210 983 W CB 0.726 30.101 29.460 -0.142 0.000 1.223 983 W HN 0.384 nan 8.180 nan 0.000 0.511 984 L N 5.751 126.960 121.223 -0.023 0.000 2.349 984 L HA 0.499 4.854 4.340 0.025 0.000 0.278 984 L C -0.977 175.782 176.870 -0.186 0.000 0.996 984 L CA -0.418 54.290 54.840 -0.220 0.000 0.825 984 L CB 0.825 42.602 42.059 -0.470 0.000 1.243 984 L HN 0.312 nan 8.230 nan 0.000 0.412 985 N N 6.486 125.073 118.700 -0.187 0.000 2.446 985 N HA 0.417 5.171 4.740 0.025 0.000 0.265 985 N C -1.231 174.134 175.510 -0.242 0.000 0.975 985 N CA -0.208 52.730 53.050 -0.186 0.000 0.928 985 N CB 2.514 40.921 38.487 -0.133 0.000 1.160 985 N HN 0.660 nan 8.380 nan 0.000 0.495 986 I N 1.730 122.109 120.570 -0.319 0.000 2.382 986 I HA 0.273 4.458 4.170 0.025 0.000 0.286 986 I C -1.130 174.793 176.117 -0.324 0.000 1.002 986 I CA -0.576 60.500 61.300 -0.373 0.000 1.135 986 I CB 0.804 38.388 38.000 -0.693 0.000 1.288 986 I HN 0.213 nan 8.210 nan 0.000 0.448 987 D N 5.259 125.504 120.400 -0.259 0.000 2.217 987 D HA 0.314 4.969 4.640 0.025 0.000 0.243 987 D C 0.836 176.820 176.300 -0.526 0.000 1.054 987 D CA -0.230 53.556 54.000 -0.357 0.000 0.838 987 D CB 2.272 42.967 40.800 -0.175 0.000 1.162 987 D HN 0.726 nan 8.370 nan 0.000 0.472 988 G N 1.337 109.485 108.800 -1.087 0.000 2.403 988 G HA2 -0.040 3.935 3.960 0.025 0.000 0.216 988 G HA3 -0.040 3.935 3.960 0.025 0.000 0.216 988 G C 0.129 174.262 174.900 -1.279 0.000 1.154 988 G CA 0.599 44.908 45.100 -1.317 0.000 0.784 988 G HN 0.393 nan 8.290 nan 0.000 0.538 989 F N -2.126 117.627 119.950 -0.329 0.000 2.601 989 F HA 0.597 5.138 4.527 0.025 0.000 0.309 989 F C -0.524 175.172 175.800 -0.174 0.000 1.089 989 F CA -1.140 56.742 58.000 -0.196 0.000 0.940 989 F CB 2.187 40.988 39.000 -0.331 0.000 1.273 989 F HN 0.036 nan 8.300 nan 0.000 0.450 990 H N 1.987 121.058 119.070 0.001 0.000 2.771 990 H HA 0.524 5.095 4.556 0.025 0.000 0.361 990 H C -0.813 174.533 175.328 0.030 0.000 1.108 990 H CA -0.909 55.116 56.048 -0.038 0.000 1.201 990 H CB 1.851 31.576 29.762 -0.062 0.000 1.681 990 H HN 0.777 nan 8.280 nan 0.000 0.534 991 M N 3.544 123.106 119.600 -0.065 0.000 2.245 991 M HA 0.298 4.793 4.480 0.025 0.000 0.330 991 M C 0.412 176.824 176.300 0.187 0.000 1.098 991 M CA 0.283 55.610 55.300 0.045 0.000 1.172 991 M CB 0.408 32.941 32.600 -0.112 0.000 1.467 991 M HN 0.821 nan 8.290 nan 0.000 0.454 992 G N 2.870 111.756 108.800 0.143 0.000 2.699 992 G HA2 0.290 4.265 3.960 0.025 0.000 0.246 992 G HA3 0.290 4.265 3.960 0.025 0.000 0.246 992 G C 0.582 175.456 174.900 -0.042 0.000 1.219 992 G CA -0.353 44.757 45.100 0.017 0.000 0.866 992 G HN 0.986 nan 8.290 nan 0.000 0.572 993 I N -1.705 118.790 120.570 -0.126 0.000 3.462 993 I HA 0.410 4.595 4.170 0.025 0.000 0.290 993 I C 1.225 177.262 176.117 -0.134 0.000 1.236 993 I CA 0.454 61.642 61.300 -0.186 0.000 1.418 993 I CB -0.533 37.250 38.000 -0.361 0.000 1.102 993 I HN 0.930 nan 8.210 nan 0.000 0.441 994 G N 1.586 110.332 108.800 -0.091 0.000 2.645 994 G HA2 0.015 3.990 3.960 0.025 0.000 0.246 994 G HA3 0.015 3.990 3.960 0.025 0.000 0.246 994 G C 0.576 175.460 174.900 -0.027 0.000 1.322 994 G CA 0.172 45.258 45.100 -0.024 0.000 0.898 994 G HN 1.384 nan 8.290 nan 0.000 0.573 995 G N -2.464 106.334 108.800 -0.003 0.000 2.559 995 G HA2 0.022 3.997 3.960 0.025 0.000 0.202 995 G HA3 0.022 3.997 3.960 0.025 0.000 0.202 995 G C 0.655 175.601 174.900 0.076 0.000 0.992 995 G CA 0.920 46.026 45.100 0.009 0.000 0.764 995 G HN 0.948 nan 8.290 nan 0.000 0.525 996 D N 1.262 121.730 120.400 0.113 0.000 2.172 996 D HA 0.068 4.723 4.640 0.025 0.000 0.196 996 D C 1.055 177.380 176.300 0.042 0.000 0.999 996 D CA 2.195 56.325 54.000 0.217 0.000 0.856 996 D CB 0.128 41.060 40.800 0.220 0.000 0.934 996 D HN 0.800 nan 8.370 nan 0.000 0.453 997 D N -3.362 116.855 120.400 -0.305 0.000 2.643 997 D HA 0.328 4.983 4.640 0.025 0.000 0.283 997 D C -0.941 174.837 176.300 -0.869 0.000 1.242 997 D CA -0.745 52.657 54.000 -0.997 0.000 0.863 997 D CB 0.899 40.600 40.800 -1.831 0.000 1.382 997 D HN -0.299 nan 8.370 nan 0.000 0.444 998 S N -0.403 114.607 115.700 -1.151 0.000 2.661 998 S HA 0.290 4.775 4.470 0.025 0.000 0.245 998 S C -0.739 173.846 174.600 -0.025 0.000 1.117 998 S CA -0.662 57.330 58.200 -0.346 0.000 1.091 998 S CB -0.579 62.612 63.200 -0.014 0.000 0.887 998 S HN 0.614 nan 8.310 nan 0.000 0.491 999 W N -1.211 120.028 121.300 -0.102 0.000 1.526 999 W HA 0.605 5.280 4.660 0.024 0.000 0.218 999 W C -0.086 176.385 176.519 -0.079 0.000 0.797 999 W CA -0.469 56.821 57.345 -0.091 0.000 0.997 999 W CB -0.057 29.287 29.460 -0.193 0.000 0.926 999 W HN 0.143 nan 8.180 nan 0.000 0.483 1000 S N 1.220 116.791 115.700 -0.216 0.000 2.540 1000 S HA 0.567 5.052 4.470 0.025 0.000 0.275 1000 S C -2.792 171.740 174.600 -0.114 0.000 1.123 1000 S CA -1.355 56.777 58.200 -0.113 0.000 0.907 1000 S CB 1.127 64.276 63.200 -0.085 0.000 1.081 1000 S HN -0.254 nan 8.310 nan 0.000 0.476 1001 P HA 0.074 nan 4.420 nan 0.000 0.260 1001 P C -0.130 177.207 177.300 0.061 0.000 1.172 1001 P CA 0.342 63.444 63.100 0.004 0.000 0.760 1001 P CB 0.446 32.004 31.700 -0.236 0.000 0.773 1002 S N 0.648 116.426 115.700 0.130 0.000 2.819 1002 S HA 0.154 4.638 4.470 0.025 0.000 0.249 1002 S C 0.144 174.829 174.600 0.142 0.000 1.030 1002 S CA -0.360 57.891 58.200 0.085 0.000 1.052 1002 S CB -0.285 62.913 63.200 -0.002 0.000 1.017 1002 S HN 0.111 nan 8.310 nan 0.000 0.576 1003 V N 2.786 122.837 119.914 0.228 0.000 2.455 1003 V HA 0.367 4.501 4.120 0.025 0.000 0.273 1003 V C 0.830 177.081 176.094 0.261 0.000 1.045 1003 V CA -0.288 62.130 62.300 0.196 0.000 0.976 1003 V CB 0.976 32.858 31.823 0.098 0.000 0.993 1003 V HN 0.526 nan 8.190 nan 0.000 0.475 1004 S N 4.002 119.866 115.700 0.274 0.000 2.563 1004 S HA 0.228 4.712 4.470 0.025 0.000 0.284 1004 S C 1.562 176.307 174.600 0.241 0.000 1.331 1004 S CA 0.099 58.456 58.200 0.262 0.000 1.047 1004 S CB 1.013 64.396 63.200 0.306 0.000 0.859 1004 S HN 1.002 nan 8.310 nan 0.000 0.514 1005 A N 3.695 126.609 122.820 0.158 0.000 1.948 1005 A HA -0.160 4.175 4.320 0.025 0.000 0.220 1005 A C 2.014 179.628 177.584 0.050 0.000 1.177 1005 A CA 1.880 53.994 52.037 0.129 0.000 0.636 1005 A CB -0.622 18.431 19.000 0.088 0.000 0.815 1005 A HN 0.957 nan 8.150 nan 0.000 0.449 1006 E N -0.953 119.213 120.200 -0.057 0.000 2.478 1006 E HA -0.107 4.258 4.350 0.025 0.000 0.198 1006 E C 0.761 177.106 176.600 -0.425 0.000 1.046 1006 E CA 0.715 56.956 56.400 -0.265 0.000 0.870 1006 E CB -0.425 29.033 29.700 -0.403 0.000 0.818 1006 E HN 0.692 nan 8.360 nan 0.000 0.527 1007 F N 1.080 121.082 119.950 0.087 0.000 2.661 1007 F HA 0.265 4.806 4.527 0.024 0.000 0.306 1007 F C 0.878 176.720 175.800 0.070 0.000 1.094 1007 F CA -0.543 57.509 58.000 0.085 0.000 1.254 1007 F CB 0.594 39.644 39.000 0.082 0.000 1.040 1007 F HN -0.187 nan 8.300 nan 0.000 0.562 1008 Q N 1.255 121.175 119.800 0.200 0.000 2.230 1008 Q HA 0.405 4.760 4.340 0.025 0.000 0.248 1008 Q C -0.232 175.812 176.000 0.074 0.000 0.915 1008 Q CA -0.542 55.360 55.803 0.165 0.000 0.900 1008 Q CB 1.885 30.818 28.738 0.324 0.000 1.229 1008 Q HN 0.244 nan 8.270 nan 0.000 0.439 1009 L N 2.358 123.613 121.223 0.053 0.000 2.399 1009 L HA 0.120 4.474 4.340 0.025 0.000 0.257 1009 L C 0.517 177.354 176.870 -0.055 0.000 1.236 1009 L CA -0.071 54.775 54.840 0.010 0.000 1.144 1009 L CB -0.332 41.627 42.059 -0.166 0.000 1.379 1009 L HN 0.691 nan 8.230 nan 0.000 0.414 1010 S N -1.152 114.410 115.700 -0.231 0.000 2.593 1010 S HA 0.167 4.652 4.470 0.025 0.000 0.236 1010 S C 1.630 176.137 174.600 -0.156 0.000 0.991 1010 S CA 0.151 58.017 58.200 -0.557 0.000 0.963 1010 S CB 0.803 63.517 63.200 -0.811 0.000 0.865 1010 S HN 0.517 nan 8.310 nan 0.000 0.488 1011 A N 1.666 124.442 122.820 -0.074 0.000 2.070 1011 A HA 0.411 4.746 4.320 0.025 0.000 0.220 1011 A C 2.138 179.573 177.584 -0.247 0.000 1.159 1011 A CA 1.405 53.272 52.037 -0.283 0.000 0.656 1011 A CB -1.255 17.342 19.000 -0.672 0.000 0.800 1011 A HN 1.503 nan 8.150 nan 0.000 0.453 1012 G N -1.729 107.017 108.800 -0.090 0.000 2.454 1012 G HA2 -0.277 3.697 3.960 0.025 0.000 0.225 1012 G HA3 -0.277 3.697 3.960 0.025 0.000 0.225 1012 G C 0.431 175.313 174.900 -0.030 0.000 1.138 1012 G CA 0.426 45.521 45.100 -0.008 0.000 0.667 1012 G HN 0.701 nan 8.290 nan 0.000 0.512 1013 R N -0.642 119.716 120.500 -0.237 0.000 2.574 1013 R HA 0.684 5.039 4.340 0.025 0.000 0.288 1013 R C -1.625 174.396 176.300 -0.466 0.000 1.004 1013 R CA -0.580 55.421 56.100 -0.165 0.000 0.895 1013 R CB 1.580 31.825 30.300 -0.092 0.000 1.191 1013 R HN 0.232 nan 8.270 nan 0.000 0.444 1014 Y N 0.400 120.690 120.300 -0.017 0.000 2.477 1014 Y HA 0.355 4.919 4.550 0.024 0.000 0.347 1014 Y C -0.500 175.546 175.900 0.244 0.000 0.981 1014 Y CA -0.802 57.251 58.100 -0.078 0.000 1.033 1014 Y CB 2.245 40.537 38.460 -0.279 0.000 1.245 1014 Y HN 0.583 nan 8.280 nan 0.000 0.455 1015 H N 2.805 122.156 119.070 0.468 0.000 2.679 1015 H HA 0.613 5.184 4.556 0.025 0.000 0.360 1015 H C -1.742 173.989 175.328 0.671 0.000 1.105 1015 H CA -0.892 55.414 56.048 0.430 0.000 1.196 1015 H CB 1.223 31.130 29.762 0.242 0.000 1.636 1015 H HN 0.572 nan 8.280 nan 0.000 0.531 1016 Y N 1.689 121.810 120.300 -0.298 0.000 2.609 1016 Y HA 0.462 5.027 4.550 0.025 0.000 0.336 1016 Y C -2.012 173.689 175.900 -0.331 0.000 1.129 1016 Y CA -1.106 56.873 58.100 -0.202 0.000 1.040 1016 Y CB 1.398 39.821 38.460 -0.063 0.000 1.310 1016 Y HN 0.775 nan 8.280 nan 0.000 0.460 1017 Q N 2.916 122.731 119.800 0.025 0.000 2.340 1017 Q HA 0.801 5.156 4.340 0.025 0.000 0.276 1017 Q C -2.260 173.834 176.000 0.156 0.000 1.048 1017 Q CA -1.070 54.728 55.803 -0.010 0.000 0.832 1017 Q CB 3.256 32.014 28.738 0.032 0.000 1.373 1017 Q HN 0.871 nan 8.270 nan 0.000 0.409 1018 L N 0.961 122.264 121.223 0.132 0.000 2.376 1018 L HA 0.743 5.097 4.340 0.025 0.000 0.258 1018 L C -0.996 175.996 176.870 0.203 0.000 1.013 1018 L CA -1.355 53.602 54.840 0.196 0.000 0.822 1018 L CB 2.642 44.796 42.059 0.157 0.000 1.388 1018 L HN 0.485 nan 8.230 nan 0.000 0.413 1019 V N 0.799 120.857 119.914 0.240 0.000 2.409 1019 V HA 0.385 4.520 4.120 0.025 0.000 0.291 1019 V C -1.166 175.104 176.094 0.293 0.000 1.020 1019 V CA -0.385 62.058 62.300 0.239 0.000 0.848 1019 V CB 2.043 33.979 31.823 0.188 0.000 0.990 1019 V HN 0.579 nan 8.190 nan 0.000 0.430 1020 W N 7.000 128.366 121.300 0.110 0.000 2.429 1020 W HA 0.706 5.381 4.660 0.025 0.000 0.314 1020 W C -0.227 176.292 176.519 -0.001 0.000 1.062 1020 W CA -1.102 56.228 57.345 -0.024 0.000 1.211 1020 W CB 1.430 30.941 29.460 0.085 0.000 1.305 1020 W HN 0.847 nan 8.180 nan 0.000 0.476 1021 C N 4.254 123.789 119.300 0.392 0.000 3.323 1021 C HA 0.732 5.207 4.460 0.025 0.000 0.324 1021 C C -0.530 174.578 174.990 0.198 0.000 1.428 1021 C CA -0.873 58.305 59.018 0.266 0.000 1.368 1021 C CB 1.422 29.260 27.740 0.163 0.000 1.731 1021 C HN 0.734 nan 8.230 nan 0.000 0.455 1022 Q N 1.942 121.810 119.800 0.114 0.000 2.241 1022 Q HA 0.674 5.029 4.340 0.025 0.000 0.254 1022 Q C -0.452 175.543 176.000 -0.007 0.000 0.917 1022 Q CA -0.265 55.551 55.803 0.021 0.000 0.919 1022 Q CB 1.256 29.978 28.738 -0.027 0.000 1.237 1022 Q HN 0.897 nan 8.270 nan 0.000 0.434 1023 K N 0.000 120.370 120.400 -0.050 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1023 K CB 0.000 32.482 32.500 -0.030 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543