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 1jyy_1_D DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.147 176.117 0.049 0.000 1.063 3 I CA 0.000 61.327 61.300 0.045 0.000 1.566 3 I CB 0.000 38.019 38.000 0.031 0.000 1.214 4 T N -1.832 112.759 114.554 0.061 0.000 3.113 4 T HA 0.152 4.502 4.350 0.000 0.000 0.256 4 T C 0.808 175.558 174.700 0.083 0.000 1.131 4 T CA 1.211 63.337 62.100 0.044 0.000 1.074 4 T CB -0.562 68.329 68.868 0.040 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.293 122.794 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 0.000 0.000 0.220 5 D C 0.829 177.328 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.019 41.063 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.128 115.917 115.700 0.148 0.000 2.548 6 S HA 0.086 4.556 4.470 0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.188 64.405 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.063 125.311 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.632 57.502 54.840 0.050 0.000 0.763 7 L CB -1.801 40.245 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.440 121.384 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.002 0.000 1.182 8 A CA 2.509 54.549 52.037 0.005 0.000 0.649 8 A CB -1.101 17.899 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.014 118.891 119.914 -0.014 0.000 2.331 9 V HA -0.132 3.988 4.120 0.000 0.000 0.242 9 V C 2.526 178.559 176.094 -0.101 0.000 1.034 9 V CA 1.664 63.937 62.300 -0.046 0.000 1.027 9 V CB -0.182 31.618 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.840 120.669 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 0.000 0.000 0.248 10 V C 2.267 178.257 176.094 -0.174 0.000 1.054 10 V CA 2.409 64.519 62.300 -0.316 0.000 1.015 10 V CB -0.773 30.811 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.265 121.478 121.223 -0.017 0.000 2.633 11 L HA -0.154 4.186 4.340 0.000 0.000 0.235 11 L C 2.451 179.400 176.870 0.132 0.000 1.163 11 L CA 0.920 55.883 54.840 0.205 0.000 0.859 11 L CB -0.840 41.374 42.059 0.257 0.000 0.973 11 L HN 0.424 nan 8.230 nan 0.000 0.451 12 Q N 2.217 122.020 119.800 0.005 0.000 2.030 12 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 12 Q C 2.240 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.099 57.886 55.803 -0.028 0.000 0.843 12 Q CB -0.110 28.597 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.266 120.159 120.500 -0.124 0.000 2.120 13 R HA 0.058 4.398 4.340 0.000 0.000 0.234 13 R C 0.322 176.430 176.300 -0.320 0.000 1.123 13 R CA 0.905 56.895 56.100 -0.183 0.000 0.975 13 R CB -0.453 29.745 30.300 -0.170 0.000 0.866 13 R HN 0.107 nan 8.270 nan 0.000 0.446 14 R N 1.001 121.209 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.199 4.340 0.000 0.000 0.252 14 R C -0.557 175.218 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.478 28.208 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.185 119.925 120.400 -0.483 0.000 2.218 15 D HA -0.191 4.449 4.640 0.000 0.000 0.204 15 D C 1.608 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.844 55.641 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.270 40.800 -0.684 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.735 123.060 121.300 0.042 0.000 3.096 16 W HA 0.115 4.775 4.660 0.000 0.000 0.241 16 W C 0.490 177.123 176.519 0.189 0.000 1.316 16 W CA -0.110 57.369 57.345 0.224 0.000 1.520 16 W CB -0.197 29.422 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.941 120.972 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.829 175.662 176.600 -0.182 0.000 0.980 17 E CA -0.227 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.109 nan 8.360 nan 0.000 0.463 18 N N 1.212 119.825 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 0.000 0.000 0.280 18 N C -2.252 173.144 175.510 -0.191 0.000 1.156 18 N CA -1.868 51.065 53.050 -0.196 0.000 0.831 18 N CB 1.460 39.836 38.487 -0.184 0.000 1.379 18 N HN -0.233 nan 8.380 nan 0.000 0.536 19 P HA -0.044 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -0.370 0.000 1.144 19 P CA 1.045 63.832 63.100 -0.522 0.000 0.800 19 P CB 0.135 31.101 31.700 -1.223 0.000 0.772 20 G N -0.584 108.037 108.800 -0.298 0.000 2.484 20 G HA2 0.002 3.962 3.960 0.000 0.000 0.218 20 G HA3 0.002 3.962 3.960 0.000 0.000 0.218 20 G C 0.349 175.181 174.900 -0.113 0.000 1.130 20 G CA 0.211 45.189 45.100 -0.204 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.129 120.999 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 0.000 0.000 0.288 21 V C 0.863 177.023 176.094 0.110 0.000 1.016 21 V CA 0.187 62.501 62.300 0.022 0.000 0.840 21 V CB 1.353 33.192 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.862 115.466 114.554 0.083 0.000 2.975 22 T HA 0.351 4.701 4.350 0.000 0.000 0.257 22 T C 0.220 174.926 174.700 0.011 0.000 1.003 22 T CA 0.298 62.431 62.100 0.056 0.000 0.932 22 T CB 0.388 69.253 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.129 119.986 119.800 0.094 0.000 2.756 23 Q HA 0.708 5.048 4.340 0.000 0.000 0.295 23 Q C -2.474 173.650 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.788 29.507 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.531 123.906 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 0.000 0.000 0.267 24 L C -0.831 176.210 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.418 43.783 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.164 119.981 118.700 0.195 0.000 2.753 25 N HA -0.237 4.503 4.740 0.000 0.000 0.251 25 N C 0.527 176.111 175.510 0.123 0.000 1.097 25 N CA 0.845 54.000 53.050 0.176 0.000 0.786 25 N CB -0.670 37.919 38.487 0.170 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.162 121.609 120.500 -0.089 0.000 2.438 26 R HA 0.378 4.718 4.340 0.000 0.000 0.287 26 R C 0.725 176.844 176.300 -0.302 0.000 1.077 26 R CA -0.363 55.392 56.100 -0.575 0.000 1.034 26 R CB 0.570 30.545 30.300 -0.543 0.000 0.993 26 R HN 0.114 nan 8.270 nan 0.000 0.459 27 L N 2.518 123.553 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 0.000 0.000 0.243 27 L C 0.655 177.479 176.870 -0.077 0.000 1.227 27 L CA -0.601 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.390 42.422 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.365 123.189 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 0.000 0.000 0.269 28 A C 0.140 177.789 177.584 0.109 0.000 1.094 28 A CA -0.222 51.838 52.037 0.038 0.000 0.807 28 A CB 0.522 19.562 19.000 0.066 0.000 1.047 28 A HN 0.753 nan 8.150 nan 0.000 0.487 29 A N 1.189 124.023 122.820 0.023 0.000 2.406 29 A HA 0.652 4.972 4.320 0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.001 0.000 1.082 29 A CA 0.739 52.730 52.037 -0.076 0.000 0.786 29 A CB -0.176 18.757 19.000 -0.111 0.000 1.029 29 A HN 2.071 nan 8.150 nan 0.000 0.495 30 H N -2.573 116.428 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.097 4.556 0.000 0.000 0.266 30 H C -3.422 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.444 54.502 56.048 -0.170 0.000 1.179 30 H CB -0.050 29.640 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.567 61.309 63.100 -0.373 0.000 0.795 31 P CB -0.414 31.041 31.700 -0.408 0.000 1.038 32 P HA 0.104 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.880 63.871 63.100 -0.180 0.000 0.763 32 P CB -0.206 31.481 31.700 -0.022 0.000 0.790 33 F N 1.424 121.495 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 0.000 0.000 0.327 33 F C 1.203 176.971 175.800 -0.053 0.000 1.068 33 F CA -0.946 57.117 58.000 0.104 0.000 0.965 33 F CB 1.920 40.941 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.249 123.078 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 0.000 0.000 0.200 34 A C 0.821 178.173 177.584 -0.388 0.000 1.428 34 A CA 0.539 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.415 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.322 115.273 115.700 -0.175 0.000 3.749 35 S HA -0.134 4.336 4.470 0.000 0.000 0.348 35 S C -0.032 174.539 174.600 -0.049 0.000 1.045 35 S CA 0.382 58.512 58.200 -0.117 0.000 1.051 35 S CB -1.755 61.341 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.623 121.928 121.300 0.007 0.000 2.187 36 W HA 0.131 4.791 4.660 0.000 0.000 0.348 36 W C 1.252 177.770 176.519 -0.003 0.000 1.282 36 W CA -0.192 57.161 57.345 0.013 0.000 1.271 36 W CB 0.126 29.592 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.431 122.086 120.500 0.259 0.000 2.509 37 R HA 0.075 4.415 4.340 0.000 0.000 0.300 37 R C -0.062 176.321 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.433 29.928 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.255 118.549 118.700 0.173 0.000 2.336 38 N HA 0.005 4.745 4.740 0.000 0.000 0.290 38 N C 0.509 176.019 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.024 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.014 118.686 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.337 59.460 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.762 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.330 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.192 4.158 4.350 0.000 0.000 0.203 40 E C 2.163 178.589 176.600 -0.289 0.000 1.022 40 E CA 1.771 58.026 56.400 -0.243 0.000 0.823 40 E CB -0.641 28.969 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.167 120.228 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.164 4.350 0.000 0.000 0.196 41 E C 2.087 178.240 176.600 -0.744 0.000 1.003 41 E CA 1.157 57.417 56.400 -0.233 0.000 0.809 41 E CB -0.207 29.550 29.700 0.095 0.000 0.755 41 E HN 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.620 123.580 122.820 -1.433 0.000 1.917 42 A HA -0.279 4.041 4.320 0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.018 52.651 52.037 -2.341 0.000 0.633 42 A CB -0.643 17.509 19.000 -1.413 0.000 0.819 42 A HN 0.149 nan 8.150 nan 0.000 0.448 43 R N -0.195 119.886 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 0.000 0.000 0.238 43 R C 1.552 177.599 176.300 -0.422 0.000 1.136 43 R CA 2.088 57.861 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.203 112.136 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 0.000 0.000 0.254 44 T C -0.004 174.629 174.700 -0.112 0.000 1.024 44 T CA 0.153 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.658 121.959 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 0.000 0.000 0.235 45 D C 0.464 176.900 176.300 0.226 0.000 1.160 45 D CA 0.418 54.461 54.000 0.071 0.000 0.645 45 D CB -0.451 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.241 120.410 120.500 0.252 0.000 2.811 46 R HA 0.565 4.905 4.340 0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.842 55.435 56.100 0.294 0.000 1.070 46 R CB -0.749 29.689 30.300 0.229 0.000 1.126 46 R HN 0.173 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.004 176.342 177.300 0.077 0.000 1.365 47 P CA -0.488 62.711 63.100 0.164 0.000 0.935 47 P CB 1.803 33.568 31.700 0.109 0.000 1.091 48 S N 1.952 117.551 115.700 -0.169 0.000 2.554 48 S HA 0.140 4.610 4.470 0.000 0.000 0.278 48 S C 1.092 175.656 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.248 0.000 1.051 48 S CB 0.597 63.392 63.200 -0.676 0.000 0.986 48 S HN 0.335 nan 8.310 nan 0.000 0.502 49 Q N 2.730 122.547 119.800 0.030 0.000 2.425 49 Q HA 0.012 4.352 4.340 0.000 0.000 0.204 49 Q C 0.792 176.941 176.000 0.248 0.000 0.933 49 Q CA 0.312 56.194 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.435 120.302 119.800 0.112 0.000 2.444 50 Q HA 0.165 4.505 4.340 0.000 0.000 0.206 50 Q C -0.018 176.038 176.000 0.094 0.000 0.948 50 Q CA 0.039 55.891 55.803 0.081 0.000 0.946 50 Q CB -0.035 28.644 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.240 122.529 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 0.000 0.000 0.281 51 L C -1.057 175.899 176.870 0.144 0.000 1.004 51 L CA -0.465 54.430 54.840 0.091 0.000 0.823 51 L CB 1.444 43.481 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.644 123.247 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 0.000 0.000 0.293 52 R C -1.014 175.321 176.300 0.058 0.000 0.983 52 R CA -0.482 55.686 56.100 0.113 0.000 0.887 52 R CB 2.220 32.592 30.300 0.120 0.000 1.184 52 R HN 0.709 nan 8.270 nan 0.000 0.445 53 S N 3.234 118.959 115.700 0.042 0.000 2.562 53 S HA 0.302 4.772 4.470 0.000 0.000 0.275 53 S C 0.871 175.496 174.600 0.042 0.000 1.281 53 S CA -0.510 57.714 58.200 0.040 0.000 1.045 53 S CB 0.582 63.813 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.413 124.679 121.223 0.071 0.000 2.857 54 L HA 0.287 4.627 4.340 0.000 0.000 0.249 54 L C 0.031 177.121 176.870 0.366 0.000 1.172 54 L CA -0.321 54.600 54.840 0.135 0.000 0.980 54 L CB -0.463 41.657 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.656 120.493 118.700 0.229 0.000 2.518 55 N HA 0.492 5.232 4.740 0.000 0.000 0.266 55 N C 0.657 176.325 175.510 0.264 0.000 1.196 55 N CA 0.737 53.924 53.050 0.228 0.000 0.947 55 N CB 1.774 40.316 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.539 109.530 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.477 45.100 0.282 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.320 120.075 120.200 0.325 0.000 2.316 57 E HA 0.496 4.847 4.350 0.000 0.000 0.275 57 E C -0.946 175.917 176.600 0.439 0.000 1.029 57 E CA 0.059 56.651 56.400 0.320 0.000 0.871 57 E CB 0.663 30.465 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.583 122.958 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 0.000 0.000 0.346 58 W C -0.505 176.111 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.948 30.552 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.524 122.289 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 0.000 0.000 0.308 59 R C -1.536 174.948 176.300 0.307 0.000 0.961 59 R CA -0.801 55.482 56.100 0.305 0.000 0.862 59 R CB 1.964 32.388 30.300 0.208 0.000 1.144 59 R HN 0.344 nan 8.270 nan 0.000 0.447 60 F N 1.376 121.322 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 0.000 0.000 0.320 60 F C -1.288 174.377 175.800 -0.226 0.000 1.076 60 F CA -0.681 57.173 58.000 -0.243 0.000 0.928 60 F CB 2.042 40.752 39.000 -0.484 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.290 126.178 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 0.000 0.000 0.297 61 A C -2.440 174.300 177.584 -1.405 0.000 1.050 61 A CA -0.521 50.836 52.037 -1.133 0.000 0.694 61 A CB 0.470 19.201 19.000 -0.448 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.502 123.065 121.300 -1.229 0.000 2.606 62 W HA 0.797 5.457 4.660 0.000 0.000 0.332 62 W C -1.984 174.082 176.519 -0.755 0.000 1.052 62 W CA -0.555 56.265 57.345 -0.875 0.000 1.223 62 W CB 1.322 30.451 29.460 -0.551 0.000 1.383 62 W HN 0.501 nan 8.180 nan 0.000 0.524 63 F N 5.544 124.890 119.950 -1.007 0.000 2.591 63 F HA 0.329 4.856 4.527 0.000 0.000 0.309 63 F C -1.416 173.560 175.800 -1.374 0.000 1.098 63 F CA -2.564 54.971 58.000 -0.775 0.000 0.937 63 F CB 1.548 40.240 39.000 -0.513 0.000 1.250 63 F HN 0.187 nan 8.300 nan 0.000 0.447 64 P HA 0.020 nan 4.420 nan 0.000 0.225 64 P C -0.180 177.023 177.300 -0.162 0.000 1.148 64 P CA 1.144 64.069 63.100 -0.292 0.000 0.779 64 P CB 0.551 32.328 31.700 0.127 0.000 0.780 65 A N -1.281 121.449 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 0.000 0.000 0.294 65 A C -2.402 175.082 177.584 -0.168 0.000 1.062 65 A CA -1.075 50.900 52.037 -0.103 0.000 0.682 65 A CB 0.601 19.601 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.160 nan 4.420 nan 0.000 0.215 66 P C 1.021 178.207 177.300 -0.189 0.000 1.157 66 P CA 1.861 64.805 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.746 120.903 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 0.000 0.000 0.197 67 E C 1.818 178.383 176.600 -0.059 0.000 0.997 67 E CA 1.577 57.962 56.400 -0.025 0.000 0.810 67 E CB -1.228 28.494 29.700 0.037 0.000 0.738 67 E HN 0.219 nan 8.360 nan 0.000 0.467 68 A N 1.710 124.490 122.820 -0.066 0.000 2.255 68 A HA 0.149 4.469 4.320 0.000 0.000 0.206 68 A C 1.109 178.590 177.584 -0.173 0.000 1.193 68 A CA -0.002 52.024 52.037 -0.018 0.000 0.794 68 A CB -0.220 18.854 19.000 0.124 0.000 0.794 68 A HN 0.055 nan 8.150 nan 0.000 0.481 69 V N 1.016 120.691 119.914 -0.399 0.000 2.834 69 V HA 0.289 4.410 4.120 0.000 0.000 0.301 69 V C -2.374 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.362 60.549 62.300 -0.649 0.000 1.052 69 V CB 1.050 32.306 31.823 -0.945 0.000 1.021 69 V HN 0.263 nan 8.190 nan 0.000 0.480 70 P HA 0.437 nan 4.420 nan 0.000 0.306 70 P C 0.176 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.793 33.512 31.700 0.032 0.000 1.013 71 E N 1.445 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 0.000 0.000 0.199 71 E C 1.514 178.080 176.600 -0.056 0.000 1.004 71 E CA 2.139 58.507 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.456 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.103 115.591 115.700 -0.010 0.000 2.387 72 S HA -0.242 4.228 4.470 0.000 0.000 0.230 72 S C 1.452 176.044 174.600 -0.013 0.000 1.035 72 S CA 1.201 59.396 58.200 -0.007 0.000 1.014 72 S CB -0.784 62.436 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.642 123.859 121.300 -0.140 0.000 2.292 73 W HA -0.186 4.474 4.660 0.000 0.000 0.304 73 W C 1.639 178.046 176.519 -0.186 0.000 1.228 73 W CA 1.128 58.380 57.345 -0.156 0.000 1.241 73 W CB -0.684 28.651 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.042 120.974 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.457 0.000 1.083 74 L CA 1.534 55.961 54.840 -0.689 0.000 0.752 74 L CB -0.714 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.049 nan 8.230 nan 0.000 0.433 75 E N -1.245 118.788 120.200 -0.279 0.000 2.079 75 E HA 0.068 4.418 4.350 0.000 0.000 0.191 75 E C 0.353 176.864 176.600 -0.148 0.000 0.961 75 E CA 0.449 56.745 56.400 -0.174 0.000 0.823 75 E CB 0.109 29.746 29.700 -0.105 0.000 0.789 75 E HN 0.317 nan 8.360 nan 0.000 0.459 76 C N 1.917 121.147 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 0.000 0.000 0.319 76 C C 0.195 175.179 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.565 29.294 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.273 121.683 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 0.000 0.000 0.238 77 D C -0.126 176.249 176.300 0.125 0.000 1.180 77 D CA 0.444 54.501 54.000 0.096 0.000 0.895 77 D CB 0.671 41.514 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.462 123.786 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 0.000 0.000 0.262 78 L C -1.198 175.714 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.119 0.000 0.801 78 L CB 0.638 42.772 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.588 177.900 177.300 0.021 0.000 1.156 79 P CA 0.896 64.014 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.124 120.330 120.200 0.009 0.000 2.494 80 E HA 0.244 4.594 4.350 0.000 0.000 0.193 80 E C 0.763 177.354 176.600 -0.015 0.000 1.074 80 E CA -0.088 56.304 56.400 -0.013 0.000 0.867 80 E CB -0.757 28.917 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.261 124.086 122.820 0.009 0.000 2.445 81 A HA 0.135 4.455 4.320 0.000 0.000 0.242 81 A C -0.033 177.582 177.584 0.051 0.000 1.075 81 A CA -0.235 51.809 52.037 0.013 0.000 0.777 81 A CB 0.372 19.408 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.202 120.654 120.400 0.087 0.000 2.326 82 D HA 0.431 5.071 4.640 0.000 0.000 0.248 82 D C -0.668 175.720 176.300 0.148 0.000 1.001 82 D CA -0.068 54.012 54.000 0.132 0.000 0.961 82 D CB 1.635 42.569 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.909 115.536 114.554 0.122 0.000 2.767 83 T HA 0.450 4.800 4.350 0.000 0.000 0.284 83 T C -0.090 174.681 174.700 0.119 0.000 0.973 83 T CA -0.425 61.754 62.100 0.131 0.000 0.996 83 T CB 1.044 69.972 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.419 123.431 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 0.000 0.000 0.312 84 V C -0.321 175.876 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.436 34.308 31.823 0.083 0.000 1.042 84 V HN 0.634 nan 8.190 nan 0.000 0.433 85 V N 2.376 122.363 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 0.000 0.000 0.286 85 V C -0.212 175.930 176.094 0.080 0.000 1.042 85 V CA -0.426 61.950 62.300 0.127 0.000 0.928 85 V CB 1.563 33.435 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.784 126.691 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 0.000 0.000 0.305 86 V C -2.275 173.737 176.094 -0.135 0.000 1.043 86 V CA -1.736 60.441 62.300 -0.205 0.000 0.888 86 V CB 2.692 34.065 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.971 176.282 177.300 -0.079 0.000 1.258 87 P CA -0.284 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.523 33.139 31.700 -0.141 0.000 1.063 88 S N -0.344 115.330 115.700 -0.043 0.000 2.643 88 S HA 0.392 4.862 4.470 0.000 0.000 0.266 88 S C -1.486 173.084 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.127 63.315 63.200 -0.020 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.138 119.729 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 0.000 0.000 0.262 89 N C 0.526 175.895 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.160 53.050 -0.225 0.000 0.933 89 N CB 0.714 39.026 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.063 124.238 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.491 4.660 0.000 0.000 0.289 90 W C 0.946 177.457 176.519 -0.013 0.000 1.215 90 W CA 1.140 58.370 57.345 -0.193 0.000 1.236 90 W CB -0.439 28.826 29.460 -0.325 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.245 120.058 119.800 0.020 0.000 2.291 91 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 91 Q C 2.052 178.034 176.000 -0.029 0.000 0.976 91 Q CA 1.670 57.501 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.166 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.889 118.616 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 0.000 0.000 0.254 92 M C 0.410 176.683 176.300 -0.046 0.000 1.092 92 M CA 1.241 56.428 55.300 -0.190 0.000 1.087 92 M CB -0.530 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.335 nan 8.290 nan 0.000 0.509 93 H N -1.360 117.783 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 0.000 0.000 0.279 93 H C 1.257 176.512 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.191 56.048 0.090 0.000 1.150 93 H CB 0.468 30.430 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.624 109.465 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 0.000 0.000 0.260 94 G C 0.520 175.330 174.900 -0.150 0.000 0.977 94 G CA 0.608 45.663 45.100 -0.075 0.000 0.641 94 G HN 0.471 nan 8.290 nan 0.000 0.533 95 Y N 1.813 122.149 120.300 0.060 0.000 2.207 95 Y HA 0.196 4.746 4.550 0.000 0.000 0.287 95 Y C 1.721 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.639 59.647 58.100 -0.154 0.000 1.182 95 Y CB -0.072 38.307 38.460 -0.134 0.000 0.979 95 Y HN 0.664 nan 8.280 nan 0.000 0.521 96 D N -2.432 118.116 120.400 0.246 0.000 2.768 96 D HA 0.512 5.152 4.640 0.000 0.000 0.327 96 D C -1.158 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.378 54.000 0.242 0.000 0.897 96 D CB 0.689 41.796 40.800 0.512 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.345 122.607 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 0.000 0.000 0.284 97 A C -2.412 175.227 177.584 0.091 0.000 1.115 97 A CA -1.132 51.006 52.037 0.169 0.000 0.812 97 A CB 0.091 19.238 19.000 0.246 0.000 1.064 97 A HN 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.506 nan 4.420 nan 0.000 0.288 98 P C -0.856 176.578 177.300 0.224 0.000 1.267 98 P CA -0.010 63.030 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.237 31.700 -0.581 0.000 0.989 99 I N 2.238 123.037 120.570 0.381 0.000 2.493 99 I HA 0.344 4.514 4.170 0.000 0.000 0.298 99 I C -0.627 175.711 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.805 39.959 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.329 125.610 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 0.000 0.000 0.331 100 Y C -0.382 175.365 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.841 38.412 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.961 114.979 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 0.000 0.000 0.290 101 T C 0.203 174.369 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.333 70.941 68.868 -0.434 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.209 118.069 118.700 -0.703 0.000 2.622 102 N HA 0.020 4.761 4.740 0.000 0.000 0.213 102 N C 1.171 176.382 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.917 53.050 -0.509 0.000 0.999 102 N CB 0.416 38.619 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.914 120.471 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 0.000 0.000 0.239 103 V C 0.613 176.370 176.094 -0.563 0.000 1.053 103 V CA 0.768 62.639 62.300 -0.715 0.000 1.073 103 V CB -0.091 31.235 31.823 -0.829 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.140 115.435 114.554 -0.431 0.000 2.871 104 T HA 0.106 4.456 4.350 0.000 0.000 0.296 104 T C -0.405 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.298 68.435 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.834 125.023 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 0.000 0.000 0.336 105 Y C -0.939 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.829 56.148 58.100 -0.204 0.000 1.463 105 Y CB 0.429 38.765 38.460 -0.207 0.000 1.303 105 Y HN 0.556 nan 8.280 nan 0.000 0.576 106 P HA -0.123 nan 4.420 nan 0.000 0.220 106 P C 0.127 177.232 177.300 -0.326 0.000 1.148 106 P CA 1.405 64.385 63.100 -0.200 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.841 115.474 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 0.000 0.000 0.308 107 I C -0.585 175.391 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.979 61.300 -0.442 0.000 1.001 107 I CB 1.503 39.071 38.000 -0.720 0.000 1.245 107 I HN -0.426 nan 8.210 nan 0.000 0.485 108 T N 2.264 116.720 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 0.000 0.000 0.302 108 T C 0.141 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.321 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.989 69.851 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.636 124.554 119.914 0.006 0.000 2.352 109 V HA 0.253 4.373 4.120 0.000 0.000 0.253 109 V C 0.648 176.812 176.094 0.117 0.000 1.083 109 V CA -0.181 62.157 62.300 0.064 0.000 0.993 109 V CB -0.382 31.464 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.623 124.465 118.700 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 0.000 0.000 0.240 110 N C -2.993 172.582 175.510 0.107 0.000 1.537 110 N CA -1.242 51.917 53.050 0.182 0.000 0.793 110 N CB 1.476 40.119 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.181 nan 4.420 nan 0.000 0.266 111 P C -2.376 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.714 61.886 63.100 -0.834 0.000 0.768 111 P CB 0.366 31.391 31.700 -1.126 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.681 176.452 177.300 -0.279 0.000 1.737 112 P CA -0.356 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.210 31.252 31.700 -0.398 0.000 1.572 113 F N -0.328 119.737 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 0.000 0.000 0.343 113 F C 1.130 177.113 175.800 0.306 0.000 1.104 113 F CA -0.962 57.166 58.000 0.214 0.000 1.161 113 F CB 1.179 40.251 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.700 123.920 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 0.000 0.000 0.317 114 V C -2.010 174.281 176.094 0.330 0.000 1.070 114 V CA -1.889 60.644 62.300 0.389 0.000 1.008 114 V CB 1.878 34.024 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.806 178.271 177.300 0.274 0.000 1.259 115 P CA -0.048 63.177 63.100 0.209 0.000 0.794 115 P CB 0.911 32.692 31.700 0.136 0.000 0.940 116 T N 0.238 114.916 114.554 0.205 0.000 2.721 116 T HA -0.229 4.121 4.350 0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.413 63.629 62.100 0.193 0.000 1.145 116 T CB -0.815 68.130 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.723 123.039 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 0.000 0.000 0.275 117 E C -0.644 176.108 176.600 0.253 0.000 1.113 117 E CA -0.300 56.214 56.400 0.190 0.000 0.878 117 E CB 0.313 30.130 29.700 0.195 0.000 1.070 117 E HN 0.496 nan 8.360 nan 0.000 0.399 118 N N 3.352 122.156 118.700 0.174 0.000 2.531 118 N HA 0.291 5.031 4.740 0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.719 50.430 53.050 0.164 0.000 0.896 118 N CB 1.116 39.746 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.549 63.514 63.100 -0.225 0.000 0.768 119 P CB 0.155 31.973 31.700 0.197 0.000 0.758 120 T N 2.668 116.875 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 0.000 0.000 0.280 120 T C 0.459 174.733 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.283 62.100 -0.455 0.000 1.009 120 T CB 1.687 70.303 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.899 109.426 108.800 -0.456 0.000 2.533 121 G HA2 0.484 4.444 3.960 0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 0.000 0.000 0.310 121 G C -0.336 174.498 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.388 45.100 -0.428 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.174 122.132 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 0.000 0.000 0.336 122 C C -0.488 174.473 174.990 -0.050 0.000 1.217 122 C CA -1.049 57.637 59.018 -0.554 0.000 1.730 122 C CB -1.753 25.041 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.747 122.252 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 0.000 0.000 0.330 123 Y C 0.762 177.114 175.900 0.753 0.000 1.133 123 Y CA -0.457 57.989 58.100 0.576 0.000 1.152 123 Y CB 1.370 40.141 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.850 119.039 115.700 0.815 0.000 2.541 124 S HA 0.809 5.279 4.470 0.000 0.000 0.271 124 S C -1.594 173.096 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.201 65.634 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.910 122.075 121.223 -0.096 0.000 2.565 125 L HA 0.685 5.025 4.340 0.000 0.000 0.261 125 L C -1.512 175.334 176.870 -0.040 0.000 0.932 125 L CA -0.013 54.605 54.840 -0.370 0.000 0.878 125 L CB 2.245 43.493 42.059 -1.352 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.282 119.825 114.554 -0.017 0.000 2.771 126 T HA 0.755 5.105 4.350 0.000 0.000 0.281 126 T C -0.894 173.889 174.700 0.138 0.000 0.982 126 T CA -0.086 62.042 62.100 0.047 0.000 0.978 126 T CB 0.561 69.405 68.868 -0.039 0.000 0.930 126 T HN 0.470 nan 8.240 nan 0.000 0.447 127 F N 0.710 120.580 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 0.000 0.000 0.313 127 F C -0.985 174.758 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.325 40.243 39.000 -0.137 0.000 1.349 127 F HN 0.264 nan 8.300 nan 0.000 0.464 128 N N 0.148 118.798 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 0.000 0.000 0.295 128 N C -1.669 173.789 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.367 53.050 -0.154 0.000 0.919 128 N CB 2.156 40.584 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.359 121.181 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 0.000 0.000 0.302 129 V C -0.210 175.765 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.196 62.300 -0.150 0.000 0.873 129 V CB 1.600 33.390 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.910 123.095 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 0.000 0.000 0.238 130 D C 1.177 177.394 176.300 -0.138 0.000 1.142 130 D CA 0.194 54.021 54.000 -0.288 0.000 0.884 130 D CB 1.537 42.085 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.068 121.231 120.200 -0.060 0.000 2.299 131 E HA -0.134 4.216 4.350 0.000 0.000 0.193 131 E C 1.645 178.281 176.600 0.061 0.000 0.998 131 E CA 0.812 57.217 56.400 0.008 0.000 0.851 131 E CB -0.195 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.391 116.125 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 0.000 0.000 0.230 132 S C 1.539 176.238 174.600 0.164 0.000 1.035 132 S CA 1.054 59.317 58.200 0.106 0.000 1.014 132 S CB -0.868 62.400 63.200 0.114 0.000 0.836 132 S HN 0.523 nan 8.310 nan 0.000 0.466 133 W N 1.471 122.644 121.300 -0.213 0.000 2.402 133 W HA 0.282 4.942 4.660 0.000 0.000 0.286 133 W C 2.226 178.690 176.519 -0.092 0.000 1.221 133 W CA -0.065 57.023 57.345 -0.427 0.000 1.257 133 W CB -0.855 28.362 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.275 121.078 121.223 0.216 0.000 2.291 134 L HA -0.182 4.158 4.340 0.000 0.000 0.214 134 L C 2.293 179.237 176.870 0.124 0.000 1.120 134 L CA 0.970 55.907 54.840 0.162 0.000 0.799 134 L CB -0.376 41.747 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.326 119.541 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 135 Q C 0.891 176.948 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.008 28.774 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.601 120.200 0.119 0.000 2.281 136 E HA 0.438 4.788 4.350 0.000 0.000 0.257 136 E C 0.337 177.035 176.600 0.164 0.000 0.971 136 E CA 0.007 56.472 56.400 0.110 0.000 0.839 136 E CB 1.039 30.787 29.700 0.079 0.000 1.238 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.774 109.589 108.800 0.025 0.000 2.698 137 G HA2 -0.232 3.728 3.960 0.000 0.000 0.233 137 G HA3 -0.232 3.728 3.960 0.000 0.000 0.233 137 G C -0.838 173.963 174.900 -0.165 0.000 1.352 137 G CA 0.194 45.192 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.643 118.909 119.800 -0.412 0.000 2.356 138 Q HA 0.653 4.993 4.340 0.000 0.000 0.270 138 Q C -1.234 174.625 176.000 -0.235 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.915 30.556 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.640 119.205 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 0.000 0.000 0.284 139 T C -0.913 173.861 174.700 0.123 0.000 0.992 139 T CA -0.643 61.527 62.100 0.116 0.000 0.957 139 T CB 0.706 69.773 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.365 123.916 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 0.000 0.000 0.271 140 R C -1.311 175.032 176.300 0.072 0.000 0.993 140 R CA -0.951 55.205 56.100 0.092 0.000 0.931 140 R CB 1.661 32.001 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.719 123.321 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 0.000 0.000 0.305 141 I C -0.994 175.043 176.117 -0.132 0.000 0.995 141 I CA -1.448 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.506 39.429 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.590 126.973 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 0.000 0.000 0.287 142 I C -1.292 174.549 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.751 39.676 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.528 124.482 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 0.000 0.000 0.365 143 F C 1.280 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.490 58.000 -0.103 0.000 1.139 143 F CB 0.837 39.764 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.393 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.051 4.691 4.640 0.000 0.000 0.208 144 D C 0.946 177.102 176.300 -0.240 0.000 0.966 144 D CA 0.901 54.812 54.000 -0.150 0.000 0.864 144 D CB 0.363 41.041 40.800 -0.203 0.000 0.933 144 D HN 0.650 nan 8.370 nan 0.000 0.499 145 G N -0.698 107.885 108.800 -0.362 0.000 2.524 145 G HA2 0.409 4.369 3.960 0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 0.000 0.000 0.306 145 G C -1.579 172.873 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.640 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.456 122.183 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 0.000 0.000 0.297 146 V C -0.759 175.386 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.851 33.271 31.823 -0.672 0.000 1.004 146 V HN 0.784 nan 8.190 nan 0.000 0.426 147 N N 2.613 121.411 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 0.000 0.000 0.285 147 N C 0.664 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.045 0.000 0.880 147 N CB 2.421 40.849 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.430 118.106 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 0.000 0.000 0.228 148 S C 0.550 175.216 174.600 0.111 0.000 1.061 148 S CA 0.339 58.569 58.200 0.050 0.000 0.935 148 S CB 0.049 63.294 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 0.000 0.000 0.292 149 A C -1.032 176.709 177.584 0.262 0.000 1.147 149 A CA -0.974 51.134 52.037 0.118 0.000 0.750 149 A CB 1.094 20.184 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.130 118.728 119.950 -0.154 0.000 2.746 150 F HA 0.595 5.122 4.527 0.000 0.000 0.311 150 F C -1.467 174.372 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.866 39.824 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.901 121.143 119.070 0.287 0.000 2.533 151 H HA 0.812 5.368 4.556 0.000 0.000 0.343 151 H C -1.402 174.009 175.328 0.138 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.351 32.285 29.762 0.286 0.000 1.566 151 H HN 0.831 nan 8.280 nan 0.000 0.522 152 L N 2.097 123.224 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 0.000 0.000 0.266 152 L C -1.865 174.677 176.870 -0.547 0.000 0.978 152 L CA -0.521 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.852 43.757 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.183 125.446 121.300 -0.062 0.000 2.936 153 W HA 0.631 5.291 4.660 0.000 0.000 0.338 153 W C -1.236 175.210 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.104 31.525 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.976 124.344 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 0.000 0.000 0.329 154 C C 0.092 175.179 174.990 0.162 0.000 1.166 154 C CA -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.413 27.294 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 0.000 0.000 0.251 155 N C 0.999 176.565 175.510 0.092 0.000 1.031 155 N CA 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.300 37.229 38.487 0.070 0.000 0.930 155 N HN 1.931 nan 8.380 nan 0.000 0.543 156 G N -1.326 107.515 108.800 0.068 0.000 2.234 156 G HA2 -0.383 3.577 3.960 0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 0.000 0.000 0.260 156 G C 0.230 175.290 174.900 0.267 0.000 0.987 156 G CA 0.667 45.801 45.100 0.058 0.000 0.625 156 G HN 0.574 nan 8.290 nan 0.000 0.532 157 R N -0.857 119.870 120.500 0.379 0.000 2.312 157 R HA 0.456 4.796 4.340 0.000 0.000 0.311 157 R C -0.068 176.532 176.300 0.501 0.000 1.004 157 R CA -0.880 55.522 56.100 0.503 0.000 0.902 157 R CB 0.672 31.300 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.999 125.452 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.059 57.149 57.345 -0.426 0.000 1.234 158 W CB 0.627 29.882 29.460 -0.342 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.958 123.822 119.914 -1.750 0.000 2.948 159 V HA 0.578 4.698 4.120 0.000 0.000 0.234 159 V C 0.941 175.928 176.094 -1.845 0.000 1.205 159 V CA 0.795 62.208 62.300 -1.478 0.000 1.234 159 V CB -0.277 30.821 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.697 105.906 108.800 -1.996 0.000 2.554 160 G HA2 0.524 4.485 3.960 0.000 0.000 0.306 160 G HA3 0.524 4.485 3.960 0.000 0.000 0.306 160 G C -2.504 172.197 174.900 -0.331 0.000 1.320 160 G CA -0.328 44.140 45.100 -1.055 0.000 0.800 160 G HN -0.013 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.594 120.300 -0.085 0.000 2.588 161 Y HA 0.739 5.289 4.550 0.000 0.000 0.343 161 Y C -0.043 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.333 40.728 38.460 -0.108 0.000 1.297 161 Y HN 1.193 nan 8.280 nan 0.000 0.467 162 G N 3.319 111.360 108.800 -1.265 0.000 2.742 162 G HA2 0.569 4.529 3.960 0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.906 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.084 119.517 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 0.000 0.000 0.286 163 Q C -1.358 174.638 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.781 31.482 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.359 120.400 0.057 0.000 4.150 164 D HA -0.097 4.543 4.640 0.000 0.000 0.231 164 D C -0.204 176.158 176.300 0.104 0.000 1.129 164 D CA 0.673 54.724 54.000 0.085 0.000 1.005 164 D CB -0.700 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.082 118.859 115.700 0.127 0.000 2.465 165 S HA -0.160 4.311 4.470 0.000 0.000 0.241 165 S C 1.602 176.324 174.600 0.205 0.000 1.000 165 S CA 0.716 59.019 58.200 0.172 0.000 0.964 165 S CB 0.127 63.416 63.200 0.148 0.000 0.763 165 S HN 0.569 nan 8.310 nan 0.000 0.512 166 R N 0.232 120.822 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 0.000 0.000 0.227 166 R C 0.057 176.418 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.029 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.274 122.534 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.439 52.411 54.840 0.016 0.000 0.821 167 L CB 1.961 44.022 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.144 176.143 177.300 -0.021 0.000 1.215 168 P CA -0.222 62.849 63.100 -0.048 0.000 0.780 168 P CB 0.796 32.428 31.700 -0.113 0.000 0.898 169 S N 1.103 116.842 115.700 0.066 0.000 2.561 169 S HA 0.361 4.831 4.470 0.000 0.000 0.303 169 S C -0.736 173.867 174.600 0.005 0.000 1.110 169 S CA -0.614 57.620 58.200 0.057 0.000 1.034 169 S CB 0.947 64.333 63.200 0.310 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.905 121.929 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 0.000 0.000 0.267 170 E C -1.504 174.797 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.656 56.400 -0.210 0.000 0.769 170 E CB 1.690 31.356 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.334 120.302 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 0.000 0.000 0.311 171 F C -0.184 175.618 175.800 0.004 0.000 1.094 171 F CA -1.201 56.801 58.000 0.003 0.000 0.923 171 F CB 1.357 40.335 39.000 -0.038 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.425 122.960 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.285 54.388 54.000 0.172 0.000 0.870 172 D CB 1.005 41.895 40.800 0.149 0.000 1.076 172 D HN 0.584 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.860 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 0.000 0.000 0.222 173 L C 2.192 179.303 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.058 42.117 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.182 117.048 115.700 0.277 0.000 2.429 174 S HA -0.354 4.116 4.470 0.000 0.000 0.251 174 S C 1.870 176.579 174.600 0.181 0.000 1.104 174 S CA 2.055 60.380 58.200 0.208 0.000 1.130 174 S CB -0.281 63.000 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.827 122.100 122.820 0.180 0.000 2.251 175 A HA 0.370 4.690 4.320 0.000 0.000 0.209 175 A C 0.980 178.423 177.584 -0.235 0.000 1.187 175 A CA 0.237 52.220 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.549 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.961 119.024 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 0.000 0.000 0.313 176 F C 0.284 176.113 175.800 0.048 0.000 1.096 176 F CA -0.682 57.349 58.000 0.051 0.000 1.219 176 F CB -0.052 38.980 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.905 123.276 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 0.000 0.000 0.275 177 L C 0.321 177.235 176.870 0.074 0.000 1.099 177 L CA -0.446 54.486 54.840 0.153 0.000 0.808 177 L CB 0.936 43.105 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.586 122.094 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 0.000 0.000 0.271 178 R C -0.527 175.749 176.300 -0.040 0.000 0.993 178 R CA -0.935 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.719 31.993 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.825 123.625 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 0.000 0.000 0.248 179 A C 0.937 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.775 52.783 52.037 -0.048 0.000 0.785 179 A CB -0.044 18.937 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.792 109.529 108.800 -0.105 0.000 2.536 180 G HA2 -0.213 3.747 3.960 0.000 0.000 0.277 180 G HA3 -0.213 3.747 3.960 0.000 0.000 0.277 180 G C 0.060 174.842 174.900 -0.196 0.000 1.155 180 G CA 0.354 45.378 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.357 122.445 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 0.000 0.000 0.278 181 E C -0.061 176.343 176.600 -0.327 0.000 1.049 181 E CA -0.049 56.201 56.400 -0.250 0.000 0.876 181 E CB 0.197 29.797 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.057 121.404 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 0.000 0.000 0.290 182 N C -0.844 174.346 175.510 -0.533 0.000 1.212 182 N CA -0.738 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.254 nan 8.380 nan 0.000 0.479 183 R N 1.431 121.813 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 0.000 0.000 0.293 183 R C -1.332 175.036 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.302 31.561 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.903 124.250 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 0.000 0.000 0.282 184 L C -0.205 176.756 176.870 0.151 0.000 1.036 184 L CA -0.764 54.200 54.840 0.207 0.000 0.806 184 L CB 1.879 44.079 42.059 0.235 0.000 1.220 184 L HN 0.691 nan 8.230 nan 0.000 0.429 185 A N 3.780 126.694 122.820 0.157 0.000 2.410 185 A HA 0.676 4.996 4.320 0.000 0.000 0.289 185 A C -0.899 177.001 177.584 0.526 0.000 1.200 185 A CA -0.439 51.633 52.037 0.058 0.000 0.751 185 A CB 1.192 19.623 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.318 123.692 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 0.000 0.000 0.284 186 V C 0.121 176.691 176.094 0.793 0.000 1.018 186 V CA -0.320 62.406 62.300 0.709 0.000 0.841 186 V CB 1.250 33.292 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.282 126.362 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 0.000 0.000 0.346 187 M C -1.437 175.106 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.237 34.164 32.600 0.545 0.000 1.568 187 M HN 0.469 nan 8.290 nan 0.000 0.445 188 V N 6.723 126.809 119.914 0.288 0.000 2.472 188 V HA 0.528 4.648 4.120 0.000 0.000 0.290 188 V C -0.182 176.049 176.094 0.229 0.000 1.037 188 V CA -0.768 61.695 62.300 0.272 0.000 0.908 188 V CB 1.628 33.616 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.810 124.122 121.223 0.149 0.000 2.362 189 L HA 0.671 5.012 4.340 0.000 0.000 0.271 189 L C 1.049 177.879 176.870 -0.068 0.000 1.002 189 L CA -0.809 54.046 54.840 0.026 0.000 0.818 189 L CB 1.778 43.748 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.553 121.908 120.500 -0.241 0.000 2.082 190 R HA 0.004 4.344 4.340 0.000 0.000 0.228 190 R C -0.211 175.691 176.300 -0.663 0.000 1.140 190 R CA 1.770 57.426 56.100 -0.740 0.000 0.920 190 R CB 0.012 29.536 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.362 121.721 121.300 0.098 0.000 2.375 191 W HA 0.298 4.958 4.660 0.000 0.000 0.336 191 W C 0.143 176.780 176.519 0.197 0.000 1.160 191 W CA -0.693 56.722 57.345 0.117 0.000 1.266 191 W CB 1.061 30.590 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.174 114.820 115.700 0.490 0.000 2.636 192 S HA 0.161 4.631 4.470 0.000 0.000 0.268 192 S C 0.017 174.878 174.600 0.435 0.000 1.159 192 S CA -0.489 58.006 58.200 0.492 0.000 0.815 192 S CB 1.130 64.579 63.200 0.416 0.000 1.130 192 S HN 0.631 nan 8.310 nan 0.000 0.471 193 D N 0.797 121.448 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 0.000 0.000 0.201 193 D C 1.897 178.488 176.300 0.485 0.000 0.980 193 D CA 1.303 55.579 54.000 0.460 0.000 0.842 193 D CB -0.835 40.119 40.800 0.258 0.000 0.948 193 D HN 0.732 nan 8.370 nan 0.000 0.472 194 G N 0.200 109.210 108.800 0.350 0.000 2.475 194 G HA2 -0.333 3.627 3.960 0.000 0.000 0.220 194 G HA3 -0.333 3.627 3.960 0.000 0.000 0.220 194 G C 1.741 176.817 174.900 0.294 0.000 1.125 194 G CA 1.047 46.325 45.100 0.296 0.000 0.755 194 G HN 0.337 nan 8.290 nan 0.000 0.565 195 S N 0.041 115.911 115.700 0.283 0.000 2.383 195 S HA -0.146 4.324 4.470 0.000 0.000 0.229 195 S C 1.970 176.682 174.600 0.188 0.000 1.030 195 S CA 1.133 59.469 58.200 0.227 0.000 1.002 195 S CB -0.486 62.852 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.261 121.658 120.300 0.163 0.000 2.384 196 Y HA -0.011 4.539 4.550 0.000 0.000 0.289 196 Y C 1.610 177.604 175.900 0.155 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.092 38.460 -0.135 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.048 121.363 121.223 0.313 0.000 2.700 197 L HA 0.125 4.465 4.340 0.000 0.000 0.234 197 L C -0.070 176.938 176.870 0.229 0.000 1.156 197 L CA 0.366 55.348 54.840 0.235 0.000 0.946 197 L CB 0.003 42.196 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.403 119.950 120.200 0.257 0.000 4.044 198 E HA 0.044 4.395 4.350 0.000 0.000 0.216 198 E C -0.468 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 30.336 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.292 121.771 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 0.000 0.000 0.238 199 D C -0.211 176.081 176.300 -0.013 0.000 1.192 199 D CA -0.044 53.923 54.000 -0.055 0.000 0.835 199 D CB 0.095 40.629 40.800 -0.444 0.000 0.975 199 D HN 0.077 nan 8.370 nan 0.000 0.490 200 Q N 0.562 120.442 119.800 0.133 0.000 2.349 200 Q HA 0.057 4.397 4.340 0.000 0.000 0.287 200 Q C -0.114 175.979 176.000 0.155 0.000 1.044 200 Q CA 0.246 56.188 55.803 0.232 0.000 0.918 200 Q CB 0.514 29.531 28.738 0.464 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.426 123.930 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 0.000 0.000 0.243 201 D C -0.666 175.753 176.300 0.197 0.000 1.257 201 D CA 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.521 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.432 120.108 119.600 0.127 0.000 3.008 202 M HA 0.460 4.940 4.480 0.000 0.000 0.271 202 M C -1.277 175.113 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.060 33.630 32.600 -0.049 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.989 123.360 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 0.000 0.000 0.326 203 W C 0.127 176.654 176.519 0.014 0.000 1.319 203 W CA -0.211 57.194 57.345 0.099 0.000 1.213 203 W CB 0.531 29.992 29.460 0.001 0.000 1.171 203 W HN 0.275 nan 8.180 nan 0.000 0.557 204 R N 4.968 125.650 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 0.000 0.000 0.340 204 R C -0.130 176.203 176.300 0.056 0.000 1.043 204 R CA -0.184 56.019 56.100 0.172 0.000 0.883 204 R CB 0.248 30.695 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 0.000 0.000 0.280 205 M C -0.244 175.751 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.186 34.586 32.600 -0.333 0.000 1.698 205 M HN 0.665 nan 8.290 nan 0.000 0.475 206 S N -1.304 113.970 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 0.000 0.000 0.270 206 S C -0.644 173.514 174.600 -0.736 0.000 1.131 206 S CA -0.306 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.505 64.038 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.102 108.680 108.800 -0.371 0.000 2.316 207 G HA2 0.187 4.147 3.960 0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 0.000 0.000 0.349 207 G C -1.557 173.306 174.900 -0.063 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.113 122.525 120.570 -0.263 0.000 2.316 208 I HA 0.296 4.466 4.170 0.000 0.000 0.286 208 I C 1.003 176.990 176.117 -0.217 0.000 1.107 208 I CA -0.309 60.742 61.300 -0.416 0.000 1.219 208 I CB -0.060 37.483 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.718 123.525 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 0.000 0.000 0.302 209 F C 0.661 176.397 175.800 -0.108 0.000 1.097 209 F CA -0.517 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.075 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.720 120.810 120.500 -0.684 0.000 2.867 210 R HA 0.225 4.565 4.340 0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.063 31.049 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.123 0.000 2.515 211 D HA 0.071 4.711 4.640 0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.535 54.491 54.000 -0.073 0.000 0.875 211 D CB 0.428 41.216 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.777 120.661 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 0.000 0.000 0.304 212 V C -0.240 175.814 176.094 -0.067 0.000 1.042 212 V CA -0.587 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.771 33.615 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.419 120.031 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 0.000 0.000 0.273 213 S C -1.231 173.327 174.600 -0.070 0.000 1.168 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.961 65.144 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.323 122.566 121.223 0.034 0.000 2.386 214 L HA 0.680 5.021 4.340 0.000 0.000 0.271 214 L C -1.637 175.342 176.870 0.182 0.000 0.993 214 L CA -0.798 54.123 54.840 0.134 0.000 0.819 214 L CB 1.832 44.057 42.059 0.278 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.471 123.757 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 0.000 0.000 0.274 215 L C -0.958 175.812 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.005 0.000 0.824 215 L CB 1.592 43.651 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.175 122.921 119.070 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 0.000 0.000 0.308 216 H C -1.115 173.925 175.328 -0.480 0.000 1.040 216 H CA -0.129 55.428 56.048 -0.819 0.000 1.231 216 H CB 0.784 29.474 29.762 -1.787 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.598 125.503 120.400 -0.825 0.000 2.375 217 K HA 0.389 4.709 4.320 0.000 0.000 0.249 217 K C -2.724 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.836 34.107 32.500 -0.383 0.000 1.227 217 K HN 0.438 nan 8.250 nan 0.000 0.430 218 P HA -0.034 nan 4.420 nan 0.000 0.270 218 P C 0.337 177.499 177.300 -0.229 0.000 1.223 218 P CA -0.032 62.910 63.100 -0.264 0.000 0.785 218 P CB 0.443 32.040 31.700 -0.171 0.000 0.923 219 T N -1.991 112.464 114.554 -0.164 0.000 2.821 219 T HA -0.056 4.294 4.350 0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.313 63.334 62.100 -0.132 0.000 1.139 219 T CB -0.839 67.978 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.313 117.787 114.554 -0.134 0.000 2.801 220 T HA 0.480 4.830 4.350 0.000 0.000 0.306 220 T C -0.344 174.256 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.205 62.100 -0.153 0.000 0.948 220 T CB 0.850 69.632 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.274 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 0.000 0.000 0.298 221 Q C -1.086 174.789 176.000 -0.207 0.000 1.023 221 Q CA -1.194 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.333 29.911 28.738 -0.266 0.000 1.500 221 Q HN 0.433 nan 8.270 nan 0.000 0.441 222 I N 2.745 123.171 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 0.000 0.000 0.287 222 I C 0.984 176.900 176.117 -0.334 0.000 1.104 222 I CA 0.164 61.332 61.300 -0.219 0.000 1.387 222 I CB 0.970 38.813 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.140 118.756 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 0.000 0.000 0.220 223 S C 0.232 174.937 174.600 0.176 0.000 1.011 223 S CA -0.097 58.054 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.602 119.951 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 0.000 0.000 0.244 224 D C -1.704 174.787 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.989 41.918 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.334 119.622 119.950 0.011 0.000 2.678 225 F HA 0.735 5.262 4.527 0.000 0.000 0.308 225 F C -1.515 174.228 175.800 -0.094 0.000 1.118 225 F CA -0.800 57.100 58.000 -0.168 0.000 0.959 225 F CB 1.419 40.407 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.903 119.974 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 0.000 0.000 0.371 226 H C -1.374 173.936 175.328 -0.028 0.000 1.151 226 H CA -1.533 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.604 32.313 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.062 121.018 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 0.000 0.000 0.312 227 V C -0.465 175.606 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.664 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.985 nan 8.190 nan 0.000 0.433 228 A N 2.128 124.906 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.552 52.037 -0.089 0.000 0.688 228 A CB 2.055 21.026 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 0.000 0.000 0.280 229 T C -0.364 174.149 174.700 -0.312 0.000 0.999 229 T CA -0.707 61.227 62.100 -0.278 0.000 0.983 229 T CB 1.589 70.254 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.383 121.582 120.500 -0.502 0.000 2.750 230 R HA 0.734 5.074 4.340 0.000 0.000 0.281 230 R C -1.424 174.458 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.386 0.000 0.912 230 R CB 1.528 31.723 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.569 120.519 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 0.000 0.000 0.328 231 F C 0.518 176.207 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.852 39.739 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.188 118.892 118.700 0.007 0.000 2.463 232 N HA 0.064 4.804 4.740 0.000 0.000 0.270 232 N C 0.407 175.780 175.510 -0.227 0.000 1.205 232 N CA -0.161 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.631 39.096 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.598 119.702 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 0.000 0.000 0.201 233 D C 0.372 176.534 176.300 -0.230 0.000 0.998 233 D CA 1.693 55.579 54.000 -0.189 0.000 0.885 233 D CB -0.362 40.395 40.800 -0.073 0.000 0.915 233 D HN 0.751 nan 8.370 nan 0.000 0.460 234 D N -1.948 118.358 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 0.000 0.000 0.215 234 D C 0.255 176.674 176.300 0.198 0.000 1.154 234 D CA -0.819 53.203 54.000 0.036 0.000 0.832 234 D CB -1.046 39.804 40.800 0.083 0.000 1.008 234 D HN 0.215 nan 8.370 nan 0.000 0.506 235 F N 0.464 120.469 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 0.000 0.000 0.287 235 F C 1.651 177.523 175.800 0.121 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.472 36.502 39.000 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.349 115.458 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 0.000 0.000 0.219 236 S C 0.646 175.300 174.600 0.090 0.000 0.985 236 S CA 0.063 58.337 58.200 0.123 0.000 0.914 236 S CB 0.386 63.632 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.455 121.017 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 0.000 0.000 0.271 237 R C -1.227 175.095 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.255 31.555 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.335 124.117 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 0.000 0.000 0.296 238 A C -1.058 176.432 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.207 0.000 0.775 238 A CB 2.158 21.013 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.327 121.121 119.914 -0.200 0.000 2.482 239 V HA 0.375 4.495 4.120 0.000 0.000 0.295 239 V C -1.079 174.960 176.094 -0.092 0.000 1.026 239 V CA -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.346 33.102 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.318 126.524 121.223 -0.029 0.000 2.276 240 L HA 0.606 4.946 4.340 0.000 0.000 0.286 240 L C -0.028 176.806 176.870 -0.061 0.000 1.061 240 L CA 0.238 55.047 54.840 -0.052 0.000 0.807 240 L CB 1.039 43.092 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.842 125.000 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.552 31.222 29.700 -0.050 0.000 1.166 241 E HN 0.833 nan 8.360 nan 0.000 0.415 242 A N 4.280 127.092 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 0.000 0.000 0.316 242 A C -0.890 176.686 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.372 20.392 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.209 122.400 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 0.000 0.000 0.268 243 E C -1.669 174.859 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.692 31.334 29.700 -0.096 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.979 123.828 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.477 4.120 0.000 0.000 0.305 244 V C -0.575 175.525 176.094 0.011 0.000 1.043 244 V CA -0.828 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.696 33.460 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.168 124.010 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 0.000 0.000 0.269 245 Q C -0.830 175.255 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.128 0.000 0.816 245 Q CB 2.820 31.571 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.879 118.782 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 0.000 0.000 0.310 246 M C -1.312 174.896 176.300 -0.154 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.094 0.000 0.891 246 M CB 2.115 34.482 32.600 -0.388 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.514 120.712 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 0.000 0.000 0.314 247 C C 0.558 175.444 174.990 -0.175 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.932 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.304 nan 8.230 nan 0.000 0.485 248 G N 3.174 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 0.000 0.000 0.246 248 G C -1.210 173.602 174.900 -0.148 0.000 1.299 248 G CA -0.483 44.529 45.100 -0.147 0.000 1.117 248 G HN 0.743 nan 8.290 nan 0.000 0.485 249 E N 0.444 120.556 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 0.000 0.000 0.282 249 E C 0.338 176.824 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.603 30.252 29.700 -0.084 0.000 1.076 249 E HN 0.523 nan 8.360 nan 0.000 0.395 250 L N 5.309 126.418 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 0.000 0.000 0.273 250 L C -0.004 176.747 176.870 -0.198 0.000 1.144 250 L CA 0.115 54.812 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.148 42.059 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.577 122.903 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 0.000 0.000 0.274 251 R C -0.069 176.039 176.300 -0.320 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.293 0.000 0.898 251 R CB 1.665 31.606 30.300 -0.598 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.384 121.729 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 0.000 0.000 0.222 252 D C 0.861 177.180 176.300 0.032 0.000 0.976 252 D CA 1.165 55.162 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.072 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.599 119.701 120.300 0.001 0.000 2.468 253 Y HA 0.392 4.942 4.550 0.000 0.000 0.268 253 Y C 0.857 176.754 175.900 -0.006 0.000 1.177 253 Y CA -0.947 57.155 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.932 123.945 121.223 -0.350 0.000 2.397 254 L HA 0.393 4.733 4.340 0.000 0.000 0.271 254 L C 0.189 176.995 176.870 -0.106 0.000 1.148 254 L CA -0.189 54.509 54.840 -0.236 0.000 0.825 254 L CB 0.625 42.544 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.039 122.383 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 0.000 0.000 0.270 255 R C -1.504 174.489 176.300 -0.511 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.371 32.390 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.660 120.373 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 0.000 0.000 0.309 256 V C -0.613 175.471 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.410 34.040 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.437 118.052 114.554 0.102 0.000 2.881 257 T HA 0.671 5.021 4.350 0.000 0.000 0.290 257 T C -0.851 173.861 174.700 0.019 0.000 1.000 257 T CA -0.492 61.662 62.100 0.089 0.000 0.978 257 T CB 1.864 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.299 123.207 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 0.000 0.000 0.301 258 V C -0.336 175.750 176.094 -0.013 0.000 1.034 258 V CA -0.838 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.808 33.611 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.200 120.915 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 0.000 0.000 0.293 259 S C -1.070 173.532 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.320 65.544 63.200 0.039 0.000 1.048 259 S HN 0.458 nan 8.310 nan 0.000 0.483 260 L N 2.228 123.341 121.223 -0.182 0.000 2.322 260 L HA 0.747 5.087 4.340 0.000 0.000 0.281 260 L C -1.808 174.939 176.870 -0.206 0.000 1.014 260 L CA -0.440 54.376 54.840 -0.040 0.000 0.815 260 L CB 0.733 42.783 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.085 124.485 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 0.000 0.000 0.337 261 W C -0.553 176.098 176.519 0.220 0.000 1.077 261 W CA -0.586 56.851 57.345 0.153 0.000 1.226 261 W CB 1.572 31.074 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.424 122.465 119.800 0.402 0.000 2.721 262 Q HA 0.490 4.830 4.340 0.000 0.000 0.257 262 Q C 0.734 176.817 176.000 0.139 0.000 1.070 262 Q CA 0.639 56.533 55.803 0.152 0.000 0.910 262 Q CB 0.317 29.108 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.329 111.204 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 0.000 0.000 0.312 263 G C 0.779 175.753 174.900 0.124 0.000 1.186 263 G CA 0.404 45.548 45.100 0.074 0.000 0.965 263 G HN 0.519 nan 8.290 nan 0.000 0.548 264 E N 1.377 121.651 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 0.000 0.000 0.192 264 E C 1.504 178.311 176.600 0.345 0.000 0.987 264 E CA 1.032 57.521 56.400 0.149 0.000 0.841 264 E CB -0.307 29.444 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.250 115.990 114.554 0.311 0.000 2.856 265 T HA 0.176 4.526 4.350 0.000 0.000 0.292 265 T C 0.043 174.861 174.700 0.197 0.000 0.980 265 T CA -0.366 61.887 62.100 0.256 0.000 1.091 265 T CB 1.450 70.385 68.868 0.111 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.760 122.404 119.800 -0.260 0.000 2.322 266 Q HA 0.285 4.625 4.340 0.000 0.000 0.256 266 Q C 0.448 176.179 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.758 55.803 -0.991 0.000 0.934 266 Q CB 0.923 28.685 28.738 -1.627 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.850 121.560 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 0.000 0.000 0.246 267 V C 0.507 176.496 176.094 -0.176 0.000 1.068 267 V CA 0.813 63.022 62.300 -0.152 0.000 1.088 267 V CB -0.196 31.625 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.115 121.558 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 0.000 0.000 0.296 268 A C -0.808 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.003 51.922 52.037 -0.187 0.000 0.693 268 A CB 1.664 20.591 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.954 114.656 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 0.000 0.000 0.275 269 S C -0.413 174.141 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.989 65.114 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.164 109.931 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.551 3.960 0.000 0.000 0.297 270 G HA3 0.590 4.551 3.960 0.000 0.000 0.297 270 G C -1.517 173.366 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 nan 8.290 nan 0.000 0.531 271 T N -0.132 114.409 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 0.000 0.000 0.293 271 T C -0.197 174.483 174.700 -0.034 0.000 1.027 271 T CA 0.145 62.245 62.100 -0.001 0.000 0.988 271 T CB 1.839 70.738 68.868 0.052 0.000 1.043 271 T HN 1.764 nan 8.240 nan 0.000 0.461 272 A N 3.149 125.926 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.225 4.320 0.000 0.000 0.290 272 A C -3.243 174.245 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.115 20.045 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.739 176.492 177.300 -0.114 0.000 1.293 273 P CA -0.491 62.561 63.100 -0.081 0.000 0.897 273 P CB 0.514 32.209 31.700 -0.009 0.000 1.166 274 F N 0.611 120.511 119.950 -0.083 0.000 2.535 274 F HA 0.427 4.954 4.527 0.000 0.000 0.332 274 F C 1.610 177.389 175.800 -0.035 0.000 1.208 274 F CA 1.814 59.777 58.000 -0.062 0.000 1.330 274 F CB -0.268 38.689 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.838 109.756 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.782 44.389 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.511 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 0.000 0.000 0.297 276 G C 0.073 175.006 174.900 0.054 0.000 1.310 276 G CA -0.332 44.815 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.850 119.379 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.816 30.528 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.614 122.192 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 0.000 0.000 0.286 278 I C 1.036 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.985 61.300 0.001 0.000 1.430 278 I CB 0.188 38.184 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.897 121.465 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 0.000 0.000 0.318 279 I C -0.176 175.939 176.117 -0.003 0.000 1.282 279 I CA 0.172 61.480 61.300 0.014 0.000 1.276 279 I CB 0.357 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.372 120.014 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 0.000 0.000 0.337 280 D C 0.371 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.461 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.342 41.129 40.800 -0.021 0.000 1.440 280 D HN -0.084 nan 8.370 nan 0.000 0.540 281 E N -0.871 119.315 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 0.000 0.000 0.196 281 E C 1.521 178.102 176.600 -0.031 0.000 0.993 281 E CA 1.132 57.518 56.400 -0.023 0.000 0.819 281 E CB -0.051 29.639 29.700 -0.017 0.000 0.745 281 E HN 0.253 nan 8.360 nan 0.000 0.477 282 R N -0.413 120.060 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 0.000 0.000 0.199 282 R C 0.955 177.214 176.300 -0.069 0.000 0.920 282 R CA 0.727 56.793 56.100 -0.056 0.000 1.046 282 R CB 0.765 31.025 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.377 108.381 108.800 -0.070 0.000 2.301 283 G HA2 -0.042 3.918 3.960 0.000 0.000 0.194 283 G HA3 -0.042 3.918 3.960 0.000 0.000 0.194 283 G C -0.394 174.448 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.828 106.908 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 0.000 0.000 0.248 284 G C -1.611 173.154 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.734 nan 8.290 nan 0.000 0.575 285 Y N 0.835 121.149 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 0.000 0.000 0.344 285 Y C 1.368 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.023 58.143 58.100 0.035 0.000 1.180 285 Y CB 1.857 40.343 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 0.000 0.000 0.217 286 A C 1.325 179.006 177.584 0.162 0.000 1.169 286 A CA 1.472 53.575 52.037 0.111 0.000 0.638 286 A CB -0.242 18.780 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.602 119.899 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 0.000 0.000 0.229 287 D C 0.388 176.903 176.300 0.358 0.000 1.170 287 D CA -0.073 53.990 54.000 0.104 0.000 0.827 287 D CB -0.085 40.717 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.995 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 0.000 0.000 0.268 288 R C -1.596 174.763 176.300 0.097 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.870 33.214 30.300 0.073 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.120 119.959 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 0.000 0.000 0.299 289 V C -1.677 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.920 121.400 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 0.000 0.000 0.285 290 T C -1.055 173.595 174.700 -0.084 0.000 0.991 290 T CA -0.270 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.226 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.482 nan 8.240 nan 0.000 0.438 291 L N 2.810 123.986 121.223 -0.077 0.000 2.330 291 L HA 0.657 4.997 4.340 0.000 0.000 0.271 291 L C 0.383 177.222 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.303 43.317 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.729 123.199 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 0.000 0.000 0.308 292 R C -1.483 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.361 31.633 30.300 -0.046 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.762 123.957 121.223 -0.047 0.000 2.317 293 L HA 0.449 4.789 4.340 0.000 0.000 0.281 293 L C 0.069 176.909 176.870 -0.050 0.000 1.024 293 L CA -0.916 53.895 54.840 -0.049 0.000 0.810 293 L CB 1.428 43.460 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.017 120.682 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 0.000 0.000 0.291 294 N C -0.985 174.475 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.675 53.050 -0.066 0.000 0.951 294 N CB 2.897 41.348 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.863 121.712 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 0.000 0.000 0.299 295 V C -0.151 175.861 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.353 62.300 -0.159 0.000 0.863 295 V CB 2.154 33.792 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.625 123.768 120.200 -0.095 0.000 2.301 296 E HA 0.293 4.643 4.350 0.000 0.000 0.275 296 E C -0.018 176.552 176.600 -0.050 0.000 1.030 296 E CA -0.352 56.015 56.400 -0.056 0.000 0.852 296 E CB 0.725 30.404 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.309 120.000 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 0.000 0.000 0.256 297 N C -2.354 173.149 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.450 53.050 0.009 0.000 0.759 297 N CB -1.405 37.092 38.487 0.016 0.000 0.906 297 N HN 0.330 nan 8.380 nan 0.000 0.541 298 P HA 0.104 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.415 177.300 0.008 0.000 1.223 298 P CA 0.228 63.209 63.100 -0.199 0.000 0.785 298 P CB 0.707 32.048 31.700 -0.598 0.000 0.923 299 K N 1.397 121.890 120.400 0.154 0.000 2.234 299 K HA 0.367 4.687 4.320 0.000 0.000 0.277 299 K C -0.155 176.603 176.600 0.264 0.000 1.038 299 K CA -0.312 56.079 56.287 0.173 0.000 0.888 299 K CB 0.190 32.764 32.500 0.124 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.713 124.012 121.223 0.126 0.000 2.395 300 L HA 0.346 4.686 4.340 0.000 0.000 0.269 300 L C -0.066 176.880 176.870 0.127 0.000 1.133 300 L CA -0.725 54.194 54.840 0.132 0.000 0.812 300 L CB 0.499 42.475 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.096 124.423 121.300 0.044 0.000 2.381 301 W HA 0.503 5.163 4.660 0.000 0.000 0.329 301 W C -0.022 176.443 176.519 -0.089 0.000 1.157 301 W CA 0.105 57.458 57.345 0.013 0.000 1.240 301 W CB 1.387 30.903 29.460 0.095 0.000 1.199 301 W HN 0.628 nan 8.180 nan 0.000 0.579 302 S N 2.884 117.887 115.700 -1.162 0.000 2.595 302 S HA 0.561 5.031 4.470 0.000 0.000 0.270 302 S C 0.028 173.841 174.600 -1.311 0.000 1.145 302 S CA -0.343 57.290 58.200 -0.944 0.000 0.825 302 S CB 0.899 63.813 63.200 -0.477 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.803 123.057 122.820 -0.942 0.000 2.019 303 A HA 0.030 4.350 4.320 0.000 0.000 0.219 303 A C 1.776 179.032 177.584 -0.547 0.000 1.164 303 A CA 1.685 53.152 52.037 -0.951 0.000 0.644 303 A CB -1.028 17.227 19.000 -1.241 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.867 119.146 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.826 57.099 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.680 29.700 0.014 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.911 121.274 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 0.000 0.000 0.279 305 I C -2.615 173.220 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.250 40.128 38.000 -0.204 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.775 177.300 -0.048 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.572 0.000 0.990 306 P CB -0.370 31.225 31.700 -0.175 0.000 1.973 307 N N 1.579 120.268 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 0.000 0.000 0.263 307 N C 0.104 175.816 175.510 0.336 0.000 1.226 307 N CA 0.441 53.561 53.050 0.116 0.000 0.906 307 N CB 0.746 39.288 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.197 123.531 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 0.000 0.000 0.265 308 L C -0.842 176.087 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.212 43.387 42.059 0.194 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.157 120.271 120.300 0.213 0.000 2.605 309 Y HA 0.579 5.129 4.550 0.000 0.000 0.343 309 Y C -0.360 175.645 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.111 40.757 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.134 121.867 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 0.000 0.000 0.298 310 R C -1.536 174.954 176.300 0.316 0.000 0.961 310 R CA -0.679 55.581 56.100 0.266 0.000 0.881 310 R CB 1.207 31.584 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.543 126.491 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 0.000 0.000 0.317 311 A C -1.198 176.458 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.600 20.694 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.020 122.010 119.914 0.127 0.000 2.487 312 V HA 0.517 4.637 4.120 0.000 0.000 0.298 312 V C -0.437 175.643 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.442 33.290 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.808 124.646 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 0.000 0.000 0.278 313 V C -0.030 176.008 176.094 -0.092 0.000 1.017 313 V CA -0.483 61.713 62.300 -0.174 0.000 0.823 313 V CB 1.006 32.572 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.047 125.243 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 0.000 0.000 0.266 314 E C -1.067 175.637 176.600 0.172 0.000 0.889 314 E CA -1.056 55.392 56.400 0.079 0.000 0.756 314 E CB 2.712 32.467 29.700 0.091 0.000 1.131 314 E HN 0.405 nan 8.360 nan 0.000 0.411 315 L N 5.447 126.736 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.695 176.242 176.870 0.112 0.000 1.046 315 L CA 0.058 54.931 54.840 0.056 0.000 0.816 315 L CB -0.232 41.833 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.169 120.255 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 0.000 0.000 0.316 316 H C -0.911 174.452 175.328 0.059 0.000 1.323 316 H CA -0.328 55.742 56.048 0.038 0.000 1.144 316 H CB 0.887 30.669 29.762 0.034 0.000 1.866 316 H HN 0.462 nan 8.280 nan 0.000 0.545 317 T N -2.855 111.827 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 4.350 0.000 0.000 0.278 317 T C 1.465 176.335 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.387 70.446 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.036 123.997 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 0.000 0.000 0.219 318 A C 1.855 179.539 177.584 0.166 0.000 1.176 318 A CA 2.094 54.246 52.037 0.191 0.000 0.631 318 A CB -1.424 17.671 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.463 118.022 120.400 0.142 0.000 2.178 319 D HA 0.207 4.847 4.640 0.000 0.000 0.201 319 D C 1.263 177.614 176.300 0.086 0.000 0.980 319 D CA 1.482 55.535 54.000 0.088 0.000 0.842 319 D CB -0.259 40.574 40.800 0.055 0.000 0.948 319 D HN 0.805 nan 8.370 nan 0.000 0.472 320 G N -1.474 107.405 108.800 0.132 0.000 2.227 320 G HA2 -0.185 3.775 3.960 0.000 0.000 0.168 320 G HA3 -0.185 3.775 3.960 0.000 0.000 0.168 320 G C 0.194 175.130 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.914 116.538 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 0.000 0.000 0.297 321 T C 0.246 175.033 174.700 0.144 0.000 0.956 321 T CA 0.008 62.169 62.100 0.102 0.000 1.123 321 T CB 1.565 70.490 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.978 126.260 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 0.000 0.000 0.278 322 L C 0.584 177.512 176.870 0.097 0.000 1.106 322 L CA 0.130 55.040 54.840 0.118 0.000 0.824 322 L CB 0.326 42.424 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.119 123.746 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 0.000 0.000 0.250 323 I C 0.623 176.753 176.117 0.021 0.000 1.112 323 I CA 0.929 62.255 61.300 0.044 0.000 1.438 323 I CB -0.300 37.708 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.731 119.487 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 0.000 0.000 0.279 324 E C -1.622 175.004 176.600 0.043 0.000 1.132 324 E CA -1.038 55.377 56.400 0.024 0.000 0.876 324 E CB 0.948 30.624 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.917 123.791 122.820 0.090 0.000 2.539 325 A HA 0.755 5.075 4.320 0.000 0.000 0.296 325 A C -1.271 176.440 177.584 0.212 0.000 1.073 325 A CA -0.695 51.403 52.037 0.100 0.000 0.700 325 A CB 1.971 21.019 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.534 119.721 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 0.000 0.000 0.273 326 E C -0.626 175.990 176.600 0.027 0.000 0.918 326 E CA -0.472 56.040 56.400 0.187 0.000 0.773 326 E CB 2.486 32.225 29.700 0.065 0.000 1.275 326 E HN 1.189 nan 8.360 nan 0.000 0.451 327 A N 0.177 123.128 122.820 0.218 0.000 2.588 327 A HA 0.862 5.182 4.320 0.000 0.000 0.290 327 A C -1.157 176.607 177.584 0.299 0.000 1.136 327 A CA -0.324 51.776 52.037 0.105 0.000 0.681 327 A CB 1.111 20.041 19.000 -0.116 0.000 1.282 327 A HN 0.949 nan 8.150 nan 0.000 0.421 328 C N -0.786 118.648 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 4.460 0.000 0.000 0.340 328 C C -1.630 173.442 174.990 0.136 0.000 1.274 328 C CA -0.998 58.142 59.018 0.205 0.000 1.234 328 C CB 0.801 28.677 27.740 0.228 0.000 1.532 328 C HN 0.846 nan 8.230 nan 0.000 0.483 329 D N 0.969 121.426 120.400 0.096 0.000 2.255 329 D HA 0.542 5.182 4.640 0.000 0.000 0.249 329 D C -0.476 175.858 176.300 0.057 0.000 1.078 329 D CA 0.137 54.195 54.000 0.096 0.000 0.896 329 D CB 2.113 42.971 40.800 0.095 0.000 1.194 329 D HN 0.521 nan 8.370 nan 0.000 0.429 330 V N 0.751 120.728 119.914 0.105 0.000 2.656 330 V HA 0.649 4.769 4.120 0.000 0.000 0.307 330 V C 0.380 176.521 176.094 0.078 0.000 1.051 330 V CA -0.698 61.612 62.300 0.016 0.000 0.893 330 V CB 2.183 33.999 31.823 -0.013 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.764 111.500 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 0.000 0.000 0.308 331 G C -1.257 173.632 174.900 -0.018 0.000 1.369 331 G CA -0.406 44.705 45.100 0.018 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.278 122.411 119.950 0.305 0.000 2.413 332 F HA 0.562 5.089 4.527 0.000 0.000 0.359 332 F C 0.941 176.966 175.800 0.376 0.000 1.122 332 F CA -0.254 57.975 58.000 0.383 0.000 1.160 332 F CB 1.094 40.344 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.234 122.022 120.500 0.480 0.000 2.664 333 R HA 0.483 4.823 4.340 0.000 0.000 0.266 333 R C -1.722 174.720 176.300 0.236 0.000 1.046 333 R CA -1.113 55.119 56.100 0.221 0.000 0.885 333 R CB 1.538 31.988 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.018 122.261 120.200 0.072 0.000 2.199 334 E HA 0.462 4.812 4.350 0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.986 55.517 56.400 0.172 0.000 0.759 334 E CB 2.119 31.970 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.524 125.497 119.914 0.099 0.000 2.384 335 V HA 0.564 4.684 4.120 0.000 0.000 0.287 335 V C -0.212 175.919 176.094 0.060 0.000 1.020 335 V CA -0.530 61.802 62.300 0.054 0.000 0.850 335 V CB 1.127 32.962 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.419 124.951 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 0.000 0.000 0.269 336 R C -2.008 174.314 176.300 0.038 0.000 1.026 336 R CA -0.869 55.264 56.100 0.054 0.000 0.889 336 R CB 1.714 32.058 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.968 122.560 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 0.000 0.000 0.290 337 I C -0.513 175.623 176.117 0.031 0.000 1.008 337 I CA -0.279 61.038 61.300 0.028 0.000 1.226 337 I CB 1.617 39.635 38.000 0.030 0.000 1.371 337 I HN 0.703 nan 8.210 nan 0.000 0.468 338 E N 6.439 126.654 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 0.000 0.000 0.268 338 E C -0.247 176.364 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.076 30.797 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.369 122.080 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 0.000 0.000 0.249 339 N C 0.470 175.984 175.510 0.008 0.000 1.048 339 N CA 2.091 55.148 53.050 0.013 0.000 0.714 339 N CB -1.227 37.267 38.487 0.012 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.206 106.599 108.800 0.007 0.000 2.176 340 G HA2 -0.273 3.687 3.960 0.000 0.000 0.253 340 G HA3 -0.273 3.687 3.960 0.000 0.000 0.253 340 G C -0.072 174.822 174.900 -0.009 0.000 0.979 340 G CA 0.511 45.611 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.015 121.204 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 0.000 0.000 0.271 341 L C -0.050 176.811 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.902 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.090 nan 8.230 nan 0.000 0.420 342 L N 3.983 125.185 121.223 -0.035 0.000 2.278 342 L HA 0.502 4.842 4.340 0.000 0.000 0.287 342 L C -0.915 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.324 55.143 54.840 -0.035 0.000 0.819 342 L CB 0.481 42.506 42.059 -0.056 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.944 127.159 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 0.000 0.000 0.271 343 L C -0.808 176.068 176.870 0.010 0.000 1.008 343 L CA -0.759 54.083 54.840 0.003 0.000 0.818 343 L CB 1.989 44.071 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.320 124.557 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 0.000 0.000 0.274 344 L C -0.416 176.495 176.870 0.069 0.000 0.988 344 L CA -0.258 54.608 54.840 0.045 0.000 0.833 344 L CB 0.975 43.051 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.112 122.760 118.700 -0.087 0.000 2.716 345 N HA -0.223 4.517 4.740 0.000 0.000 0.250 345 N C 0.817 176.124 175.510 -0.338 0.000 1.033 345 N CA 1.403 54.167 53.050 -0.478 0.000 0.727 345 N CB -1.070 37.014 38.487 -0.672 0.000 0.950 345 N HN 1.153 nan 8.380 nan 0.000 0.541 346 G N -2.156 106.667 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 0.000 0.000 0.230 346 G C 0.020 174.970 174.900 0.084 0.000 1.021 346 G CA 0.672 45.860 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.232 121.671 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.009 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.209 34.627 32.500 -0.136 0.000 1.090 347 K HN 0.119 nan 8.250 nan 0.000 0.445 348 P HA 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.238 177.003 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.685 32.348 31.700 -0.063 0.000 0.929 349 L N 3.408 124.568 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 0.000 0.000 0.257 349 L C 0.467 177.258 176.870 -0.132 0.000 1.189 349 L CA -0.615 54.150 54.840 -0.126 0.000 0.813 349 L CB 0.426 42.375 42.059 -0.183 0.000 1.118 349 L HN 0.235 nan 8.230 nan 0.000 0.471 350 L N 3.113 124.271 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 0.000 0.000 0.260 350 L C -0.605 176.211 176.870 -0.090 0.000 0.998 350 L CA -0.270 54.494 54.840 -0.128 0.000 0.883 350 L CB 0.867 42.882 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.318 124.769 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 0.000 0.000 0.287 351 I C 0.646 176.693 176.117 -0.115 0.000 1.104 351 I CA 0.314 61.500 61.300 -0.190 0.000 1.387 351 I CB 0.287 38.049 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.789 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 0.000 0.000 0.264 352 R C 0.536 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.882 56.100 0.078 0.000 1.516 352 R CB 0.816 31.031 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.018 108.843 108.800 0.042 0.000 2.552 353 G HA2 0.628 4.588 3.960 0.000 0.000 0.324 353 G HA3 0.628 4.588 3.960 0.000 0.000 0.324 353 G C -1.278 173.926 174.900 0.507 0.000 1.217 353 G CA -0.508 44.645 45.100 0.088 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.238 120.012 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 0.000 0.000 0.303 354 V C -1.313 174.940 176.094 0.265 0.000 1.214 354 V CA -1.193 61.319 62.300 0.352 0.000 0.984 354 V CB 2.290 34.071 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.874 122.634 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 0.000 0.000 0.287 355 N C -0.831 174.491 175.510 -0.313 0.000 1.097 355 N CA -0.438 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.798 40.220 38.487 -0.108 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.588 121.862 120.500 -0.377 0.000 2.522 356 R HA 0.246 4.587 4.340 0.000 0.000 0.283 356 R C -1.197 174.867 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.334 0.000 0.925 356 R CB 1.019 31.129 30.300 -0.318 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.003 120.944 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.216 55.788 56.048 -0.074 0.000 1.322 357 H CB 1.644 31.415 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.635 122.030 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 0.000 0.000 0.274 358 E C -0.772 175.965 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.224 30.023 29.700 0.165 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.562 120.681 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 0.000 0.000 0.354 359 H C -1.660 173.704 175.328 0.060 0.000 1.085 359 H CA -0.694 55.396 56.048 0.069 0.000 1.253 359 H CB 1.082 30.878 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.503 125.199 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 0.000 0.000 0.339 360 H C -2.223 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.452 53.289 56.048 -0.511 0.000 1.257 360 H CB 2.494 32.090 29.762 -0.277 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.136 nan 4.420 nan 0.000 0.218 361 P C 1.207 178.378 177.300 -0.215 0.000 1.146 361 P CA 1.013 63.894 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.127 119.106 121.223 0.017 0.000 2.349 362 L HA 0.105 4.445 4.340 0.000 0.000 0.200 362 L C 2.463 179.272 176.870 -0.102 0.000 1.064 362 L CA 0.615 55.416 54.840 -0.065 0.000 0.821 362 L CB -0.757 41.156 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.309 118.731 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 0.000 0.000 0.266 363 H C 1.460 176.670 175.328 -0.197 0.000 0.977 363 H CA 0.132 56.032 56.048 -0.245 0.000 1.163 363 H CB 0.306 29.799 29.762 -0.447 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.438 110.158 108.800 -0.133 0.000 2.523 364 G HA2 -0.383 3.577 3.960 0.000 0.000 0.271 364 G HA3 -0.383 3.577 3.960 0.000 0.000 0.271 364 G C 0.498 175.311 174.900 -0.144 0.000 1.146 364 G CA 0.243 45.209 45.100 -0.223 0.000 0.961 364 G HN 0.453 nan 8.290 nan 0.000 0.549 365 Q N 0.118 119.843 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 0.000 0.000 0.205 365 Q C 0.296 176.331 176.000 0.057 0.000 0.896 365 Q CA -0.045 55.713 55.803 -0.075 0.000 0.950 365 Q CB 0.763 29.350 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.824 121.776 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 0.000 0.000 0.275 366 V C 0.140 176.272 176.094 0.063 0.000 1.043 366 V CA -0.203 62.155 62.300 0.096 0.000 0.925 366 V CB 1.035 32.869 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.412 124.043 119.600 0.052 0.000 2.528 367 M HA 0.581 5.061 4.480 0.000 0.000 0.318 367 M C -0.564 175.679 176.300 -0.095 0.000 1.195 367 M CA -0.547 54.742 55.300 -0.018 0.000 1.000 367 M CB 1.654 34.210 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.126 118.232 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 0.000 0.000 0.229 368 D C 0.248 176.540 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.423 42.221 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.318 120.519 120.200 0.001 0.000 2.082 369 E HA -0.432 3.918 4.350 0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.176 58.614 56.400 0.063 0.000 0.869 369 E CB 0.024 29.774 29.700 0.083 0.000 0.773 369 E HN 0.581 nan 8.360 nan 0.000 0.466 370 Q N -0.655 119.196 119.800 0.085 0.000 2.047 370 Q HA -0.233 4.107 4.340 0.000 0.000 0.211 370 Q C 2.365 178.429 176.000 0.107 0.000 1.005 370 Q CA 2.705 58.565 55.803 0.095 0.000 0.866 370 Q CB -0.435 28.360 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.185 115.810 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.774 63.954 62.100 0.134 0.000 1.159 371 T CB -0.318 68.642 68.868 0.155 0.000 0.863 371 T HN 0.277 nan 8.240 nan 0.000 0.422 372 M N 0.653 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 0.000 0.000 0.256 372 M C 2.495 178.923 176.300 0.215 0.000 1.072 372 M CA 1.717 57.173 55.300 0.259 0.000 1.090 372 M CB -1.012 31.771 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.098 119.890 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 0.000 0.000 0.249 373 V C 2.301 178.395 176.094 0.000 0.000 1.059 373 V CA 2.033 64.339 62.300 0.010 0.000 1.051 373 V CB -0.967 30.881 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.268 119.576 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 0.000 0.000 0.206 374 Q C 2.137 178.214 176.000 0.128 0.000 0.991 374 Q CA 2.267 58.128 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.626 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.243 120.747 120.400 0.172 0.000 2.106 375 D HA -0.198 4.442 4.640 0.000 0.000 0.191 375 D C 1.902 178.183 176.300 -0.031 0.000 0.997 375 D CA 1.281 55.391 54.000 0.183 0.000 0.834 375 D CB -0.376 40.515 40.800 0.151 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.604 121.135 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 0.000 0.000 0.241 376 I C 2.527 178.523 176.117 -0.202 0.000 1.070 376 I CA 0.876 62.036 61.300 -0.234 0.000 1.327 376 I CB -0.363 37.393 38.000 -0.408 0.000 1.034 376 I HN 0.024 nan 8.210 nan 0.000 0.405 377 L N 0.210 121.345 121.223 -0.147 0.000 2.042 377 L HA -0.253 4.087 4.340 0.000 0.000 0.210 377 L C 2.624 179.558 176.870 0.107 0.000 1.076 377 L CA 1.369 56.205 54.840 -0.008 0.000 0.749 377 L CB -0.601 41.474 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.927 120.384 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.602 56.606 54.840 0.275 0.000 0.749 378 L CB -0.407 41.940 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.559 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 0.000 0.000 0.258 379 M C 2.326 178.699 176.300 0.121 0.000 1.071 379 M CA 1.883 57.131 55.300 -0.087 0.000 1.103 379 M CB -0.558 31.779 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.239 120.612 120.400 -0.046 0.000 2.074 380 K HA -0.221 4.099 4.320 0.000 0.000 0.209 380 K C 1.940 178.520 176.600 -0.033 0.000 1.048 380 K CA 1.656 57.811 56.287 -0.221 0.000 0.926 380 K CB -0.347 31.819 32.500 -0.556 0.000 0.713 380 K HN 0.536 nan 8.250 nan 0.000 0.444 381 Q N 0.172 120.115 119.800 0.240 0.000 2.291 381 Q HA -0.052 4.288 4.340 0.000 0.000 0.205 381 Q C 0.862 177.147 176.000 0.476 0.000 0.970 381 Q CA 0.737 56.802 55.803 0.436 0.000 0.876 381 Q CB 0.064 29.028 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.844 119.793 118.700 0.415 0.000 2.320 382 N HA 0.052 4.793 4.740 0.000 0.000 0.237 382 N C -0.685 174.972 175.510 0.247 0.000 1.129 382 N CA -0.010 53.287 53.050 0.411 0.000 0.854 382 N CB 0.619 39.416 38.487 0.518 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.190 119.020 118.700 0.216 0.000 2.776 383 N HA -0.178 4.563 4.740 0.000 0.000 0.249 383 N C -0.881 174.543 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.928 53.050 0.064 0.000 0.711 383 N CB -1.772 36.636 38.487 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.989 120.953 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 0.000 0.000 0.328 384 F C 1.752 177.547 175.800 -0.008 0.000 1.084 384 F CA -0.567 57.434 58.000 0.001 0.000 1.053 384 F CB 0.919 39.897 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.292 119.116 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 0.000 0.000 0.226 385 N C -0.885 174.693 175.510 0.113 0.000 1.305 385 N CA 0.031 53.138 53.050 0.095 0.000 0.890 385 N CB 0.742 39.327 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.513 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 0.000 0.000 0.293 386 A C -1.707 176.102 177.584 0.375 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.727 20.958 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.689 120.859 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 0.000 0.000 0.307 387 V C -0.932 175.269 176.094 0.178 0.000 1.166 387 V CA -0.731 61.771 62.300 0.336 0.000 0.974 387 V CB 1.994 33.911 31.823 0.156 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.484 124.934 120.500 -0.083 0.000 2.387 388 R HA 0.510 4.850 4.340 0.000 0.000 0.314 388 R C -0.830 175.319 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.220 31.055 30.300 -0.776 0.000 1.147 388 R HN 0.859 nan 8.270 nan 0.000 0.447 389 C N 4.279 123.461 119.300 -0.197 0.000 3.183 389 C HA 0.105 4.565 4.460 0.000 0.000 0.545 389 C C 0.551 175.244 174.990 -0.495 0.000 1.044 389 C CA -0.466 58.382 59.018 -0.283 0.000 1.117 389 C CB -2.141 25.541 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.490 116.770 115.700 -0.700 0.000 2.465 390 S HA 0.187 4.657 4.470 0.000 0.000 0.280 390 S C -0.114 173.557 174.600 -1.547 0.000 1.232 390 S CA 0.109 57.593 58.200 -1.194 0.000 1.066 390 S CB 0.098 62.532 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.431 121.852 119.070 -1.082 0.000 2.597 391 H HA 0.297 4.853 4.556 0.000 0.000 0.225 391 H C -1.192 173.993 175.328 -0.239 0.000 1.422 391 H CA -0.360 55.446 56.048 -0.403 0.000 1.335 391 H CB -0.098 29.636 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.697 117.704 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 0.000 0.000 0.346 392 Y C -3.305 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.039 55.166 58.100 0.175 0.000 1.088 392 Y CB 0.008 38.576 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.220 nan 4.420 nan 0.000 0.271 393 P C -0.755 176.838 177.300 0.488 0.000 1.218 393 P CA 0.056 63.414 63.100 0.431 0.000 0.780 393 P CB 0.677 32.567 31.700 0.316 0.000 0.901 394 N N 0.156 119.156 118.700 0.501 0.000 2.491 394 N HA 0.111 4.851 4.740 0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.387 38.815 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.207 121.387 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 0.000 0.000 0.303 395 H C -1.718 173.814 175.328 0.340 0.000 1.002 395 H CA -1.123 55.043 56.048 0.197 0.000 1.460 395 H CB 0.913 30.742 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.019 64.337 63.100 0.364 0.000 0.895 396 P CB 0.155 31.872 31.700 0.028 0.000 0.792 397 L N -1.179 120.421 121.223 0.628 0.000 2.081 397 L HA -0.139 4.201 4.340 0.000 0.000 0.212 397 L C 2.414 179.532 176.870 0.414 0.000 1.080 397 L CA 1.667 56.817 54.840 0.518 0.000 0.754 397 L CB -1.429 40.940 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.281 121.126 121.300 0.179 0.000 2.290 398 W HA -0.409 4.251 4.660 0.000 0.000 0.328 398 W C 2.313 178.745 176.519 -0.145 0.000 1.272 398 W CA 2.271 59.569 57.345 -0.078 0.000 1.262 398 W CB -0.595 28.678 29.460 -0.312 0.000 1.151 398 W HN 0.284 nan 8.180 nan 0.000 0.473 399 Y N 0.709 120.987 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 0.000 0.000 0.285 399 Y C 2.834 178.513 175.900 -0.368 0.000 1.166 399 Y CA 2.254 60.088 58.100 -0.444 0.000 1.181 399 Y CB -1.469 36.430 38.460 -0.935 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.569 115.161 114.554 0.064 0.000 2.708 400 T HA -0.147 4.203 4.350 0.000 0.000 0.266 400 T C 2.040 176.775 174.700 0.059 0.000 1.037 400 T CA 1.378 63.568 62.100 0.150 0.000 1.146 400 T CB -0.571 68.434 68.868 0.228 0.000 0.865 400 T HN 0.230 nan 8.240 nan 0.000 0.435 401 L N 0.461 121.697 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 0.000 0.000 0.210 401 L C 2.908 179.778 176.870 0.000 0.000 1.076 401 L CA 1.070 55.946 54.840 0.060 0.000 0.749 401 L CB -0.776 41.298 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.344 118.785 119.300 -0.284 0.000 2.425 402 C HA -0.151 4.309 4.460 0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.389 59.252 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.630 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.420 120.835 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.254 0.000 0.992 403 D CA 1.315 55.392 54.000 0.129 0.000 0.833 403 D CB -0.322 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.852 119.704 120.500 0.094 0.000 2.075 404 R HA -0.019 4.321 4.340 0.000 0.000 0.226 404 R C 2.319 178.531 176.300 -0.147 0.000 1.114 404 R CA 0.752 56.831 56.100 -0.035 0.000 0.972 404 R CB -0.332 29.857 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.782 119.526 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 0.000 0.000 0.293 405 Y C 0.954 176.781 175.900 -0.122 0.000 1.123 405 Y CA 0.931 59.008 58.100 -0.039 0.000 1.201 405 Y CB 0.568 38.973 38.460 -0.092 0.000 1.011 405 Y HN 0.260 nan 8.280 nan 0.000 0.545 406 G N 1.044 109.863 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 0.000 0.000 0.250 406 G C -1.161 173.567 174.900 -0.286 0.000 0.996 406 G CA -0.632 44.348 45.100 -0.200 0.000 1.248 406 G HN 0.121 nan 8.290 nan 0.000 0.589 407 L N 0.959 122.082 121.223 -0.168 0.000 2.455 407 L HA 0.468 4.808 4.340 0.000 0.000 0.264 407 L C -0.057 176.756 176.870 -0.094 0.000 0.968 407 L CA -1.221 53.476 54.840 -0.238 0.000 0.827 407 L CB 2.044 43.988 42.059 -0.192 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 2.062 122.460 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.568 57.656 58.100 0.206 0.000 1.318 408 Y CB 1.272 39.846 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.724 123.805 119.914 0.278 0.000 2.735 409 V HA 0.386 4.506 4.120 0.000 0.000 0.310 409 V C -0.737 175.423 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 33.988 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.594 122.552 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 0.000 0.000 0.278 410 V C -0.399 175.724 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.407 33.159 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.052 124.509 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 0.000 0.000 0.252 411 D C -0.182 176.289 176.300 0.285 0.000 1.150 411 D CA 0.092 54.242 54.000 0.251 0.000 0.870 411 D CB 1.212 42.201 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.826 122.169 120.200 0.239 0.000 2.234 412 E HA 0.607 4.957 4.350 0.000 0.000 0.266 412 E C -1.117 175.618 176.600 0.225 0.000 0.877 412 E CA -1.074 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.731 126.680 122.820 0.214 0.000 2.445 413 A HA 0.072 4.392 4.320 0.000 0.000 0.242 413 A C 0.352 178.058 177.584 0.203 0.000 1.075 413 A CA -0.271 51.874 52.037 0.181 0.000 0.777 413 A CB 0.179 19.253 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.456 120.284 118.700 0.213 0.000 2.971 414 N HA 0.201 4.941 4.740 0.000 0.000 0.294 414 N C -0.946 174.686 175.510 0.203 0.000 1.210 414 N CA 0.240 53.444 53.050 0.257 0.000 1.157 414 N CB -0.878 37.768 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.745 121.428 120.570 0.189 0.000 2.529 415 I HA 0.264 4.434 4.170 0.000 0.000 0.284 415 I C -0.586 175.618 176.117 0.144 0.000 1.088 415 I CA -0.660 60.731 61.300 0.153 0.000 1.062 415 I CB 1.874 39.939 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.218 124.500 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 0.000 0.000 0.272 416 E C -0.449 176.210 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.088 0.000 0.770 416 E CB 1.871 31.602 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.627 115.228 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 0.000 0.000 0.282 417 T C 0.962 175.708 174.700 0.077 0.000 1.010 417 T CA -0.248 61.927 62.100 0.125 0.000 0.928 417 T CB -0.313 68.605 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.282 120.269 119.070 -0.138 0.000 2.330 418 H HA -0.149 4.407 4.556 0.000 0.000 0.290 418 H C 2.320 177.514 175.328 -0.224 0.000 1.111 418 H CA 1.617 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.340 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.248 108.900 108.800 -0.248 0.000 2.679 419 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 419 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 419 G C 0.623 175.613 174.900 0.151 0.000 1.137 419 G CA -0.018 44.967 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.038 119.692 119.600 0.218 0.000 2.113 420 M HA 0.341 4.821 4.480 0.000 0.000 0.288 420 M C -0.300 176.032 176.300 0.053 0.000 1.225 420 M CA 0.096 55.484 55.300 0.146 0.000 1.148 420 M CB 1.022 33.662 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.920 121.844 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 0.000 0.000 0.294 421 V C -2.202 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.007 62.300 -0.005 0.000 0.905 421 V CB 1.979 33.797 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.266 nan 4.420 nan 0.000 0.274 422 P C 1.137 178.431 177.300 -0.009 0.000 1.246 422 P CA -0.523 62.569 63.100 -0.014 0.000 0.795 422 P CB 0.819 32.513 31.700 -0.011 0.000 1.006 423 M N 1.199 120.798 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 0.000 0.000 0.256 423 M C 1.117 177.425 176.300 0.012 0.000 1.076 423 M CA 2.244 57.550 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.404 nan 8.290 nan 0.000 0.406 424 N N -0.223 118.483 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 0.000 0.000 0.204 424 N C 1.154 176.626 175.510 -0.064 0.000 1.124 424 N CA 0.185 53.239 53.050 0.006 0.000 0.838 424 N CB -0.660 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.640 121.092 120.500 -0.080 0.000 2.134 425 R HA -0.086 4.254 4.340 0.000 0.000 0.248 425 R C 1.583 177.757 176.300 -0.210 0.000 1.143 425 R CA 1.717 57.745 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.085 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.804 120.227 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 0.000 0.000 0.202 426 L C 2.555 179.229 176.870 -0.326 0.000 1.076 426 L CA 1.389 55.895 54.840 -0.556 0.000 0.761 426 L CB -0.755 40.723 42.059 -0.969 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.702 110.704 114.554 -0.248 0.000 2.897 427 T HA -0.224 4.126 4.350 0.000 0.000 0.271 427 T C 1.228 175.805 174.700 -0.206 0.000 1.084 427 T CA 1.481 63.422 62.100 -0.265 0.000 1.123 427 T CB -0.365 68.311 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.407 121.726 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 0.000 0.000 0.224 428 D C -0.548 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.724 54.000 -0.097 0.000 0.833 428 D CB -0.061 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.361 nan 8.370 nan 0.000 0.505 429 D N -0.612 119.772 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 0.000 0.000 0.251 429 D C -1.829 174.538 176.300 0.111 0.000 1.153 429 D CA -2.294 51.740 54.000 0.057 0.000 0.861 429 D CB 2.197 43.068 40.800 0.117 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.263 64.373 63.100 0.016 0.000 0.872 430 P CB 0.316 32.014 31.700 -0.002 0.000 0.790 431 R N -1.825 118.690 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 0.000 0.000 0.243 431 R C 1.916 178.079 176.300 -0.229 0.000 1.145 431 R CA 1.665 57.703 56.100 -0.102 0.000 0.976 431 R CB -0.860 29.363 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.579 120.660 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 0.000 0.000 0.287 432 W C 1.386 177.841 176.519 -0.107 0.000 1.288 432 W CA -0.545 56.738 57.345 -0.103 0.000 1.725 432 W CB -0.155 29.240 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.916 124.183 121.223 0.073 0.000 1.963 433 L HA -0.164 4.176 4.340 0.000 0.000 0.220 433 L C -0.499 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.470 57.306 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.240 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.854 177.300 -0.085 0.000 1.158 434 P CA 2.613 65.655 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.516 122.267 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.569 54.600 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.469 19.000 0.075 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.365 119.981 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.973 57.262 55.300 -0.018 0.000 1.107 436 M CB -0.802 31.768 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.456 116.076 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 4.470 0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.400 59.458 58.200 -0.237 0.000 1.042 437 S CB -0.721 62.323 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.275 121.368 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 0.000 0.000 0.196 438 E C 2.348 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.020 57.326 56.400 -0.156 0.000 0.804 438 E CB -0.239 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.140 120.588 120.500 -0.087 0.000 2.120 439 R HA -0.109 4.231 4.340 0.000 0.000 0.234 439 R C 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 0.998 57.074 56.100 -0.040 0.000 0.975 439 R CB -0.037 30.273 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.041 119.869 119.914 -0.143 0.000 2.374 440 V HA -0.183 3.937 4.120 0.000 0.000 0.241 440 V C 2.399 178.341 176.094 -0.253 0.000 1.034 440 V CA 2.034 64.237 62.300 -0.163 0.000 1.037 440 V CB -0.401 31.316 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.169 114.112 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.895 63.657 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.869 68.868 -0.754 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.005 4.335 4.340 0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.814 57.839 56.100 -0.125 0.000 0.959 442 R CB -0.580 29.655 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.332 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 0.000 0.000 0.260 443 M C 1.953 178.198 176.300 -0.092 0.000 1.068 443 M CA 1.752 57.028 55.300 -0.041 0.000 1.109 443 M CB -0.018 32.599 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.552 121.324 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 0.000 0.000 0.246 444 V C 2.404 178.397 176.094 -0.169 0.000 1.049 444 V CA 2.310 64.363 62.300 -0.413 0.000 1.024 444 V CB -1.209 30.331 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.015 119.752 119.800 -0.105 0.000 2.170 445 Q HA -0.248 4.092 4.340 0.000 0.000 0.203 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.976 445 Q CA 1.631 57.386 55.803 -0.081 0.000 0.858 445 Q CB -0.353 28.365 28.738 -0.033 0.000 0.907 445 Q HN 0.597 nan 8.270 nan 0.000 0.433 446 R N 0.780 121.205 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.756 176.978 176.300 -0.130 0.000 1.125 446 R CA 1.431 57.430 56.100 -0.169 0.000 0.966 446 R CB 0.318 30.514 30.300 -0.173 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.015 120.371 120.400 -0.025 0.000 2.360 447 D HA -0.020 4.620 4.640 0.000 0.000 0.210 447 D C 1.467 177.865 176.300 0.164 0.000 1.047 447 D CA 0.237 54.266 54.000 0.050 0.000 0.854 447 D CB 0.208 40.993 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.795 121.411 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 0.000 0.000 0.225 448 R C 0.905 177.201 176.300 -0.007 0.000 1.114 448 R CA 1.065 57.293 56.100 0.214 0.000 1.007 448 R CB -0.413 29.979 30.300 0.152 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.213 118.822 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 0.000 0.000 0.192 449 N C -0.527 174.840 175.510 -0.239 0.000 1.109 449 N CA 0.130 53.047 53.050 -0.222 0.000 0.855 449 N CB 0.153 38.453 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.569 120.551 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 0.000 0.000 0.294 450 H C -1.200 173.963 175.328 -0.275 0.000 1.079 450 H CA -1.330 54.615 56.048 -0.173 0.000 1.411 450 H CB 1.631 31.326 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.177 nan 4.420 nan 0.000 0.217 451 P C 1.431 178.311 177.300 -0.700 0.000 1.148 451 P CA 1.324 64.076 63.100 -0.580 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.012 0.000 0.783 452 S N -1.312 114.050 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.306 58.347 58.200 -0.264 0.000 0.965 452 S CB -1.405 61.758 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.561 123.401 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 0.000 0.000 0.276 453 V C 1.021 176.971 176.094 -0.239 0.000 1.040 453 V CA -0.076 62.118 62.300 -0.175 0.000 1.008 453 V CB 0.624 32.242 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.537 123.008 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 0.000 0.000 0.331 454 I C 0.201 176.195 176.117 -0.204 0.000 1.348 454 I CA 0.339 61.550 61.300 -0.148 0.000 1.152 454 I CB 0.519 38.512 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.492 120.907 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 0.000 0.000 0.293 455 I C -1.598 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.397 60.800 61.300 -0.172 0.000 1.036 455 I CB 2.046 40.042 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.863 125.207 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 0.000 0.000 0.331 456 W C 0.442 177.022 176.519 0.102 0.000 1.119 456 W CA -0.628 56.766 57.345 0.083 0.000 1.240 456 W CB 1.653 31.154 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.794 118.724 115.700 0.383 0.000 2.557 457 S HA 0.398 4.868 4.470 0.000 0.000 0.291 457 S C -0.091 174.675 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.789 64.113 63.200 0.207 0.000 1.028 457 S HN 0.568 nan 8.310 nan 0.000 0.484 458 L N 4.185 125.568 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.157 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.450 40.614 42.059 0.009 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.131 109.084 108.800 0.256 0.000 2.297 459 G HA2 -0.151 3.809 3.960 0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 0.000 0.000 0.209 459 G C -1.484 173.584 174.900 0.280 0.000 1.267 459 G CA -0.550 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.332 119.145 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 0.000 0.000 0.263 460 N C -0.459 175.005 175.510 -0.075 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.390 39.572 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.273 120.321 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 0.000 0.000 0.164 461 E C -0.783 175.712 176.600 -0.174 0.000 1.355 461 E CA 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.447 27.731 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.163 115.912 115.700 0.082 0.000 2.941 462 S HA 0.399 4.869 4.470 0.000 0.000 0.251 462 S C 0.725 175.482 174.600 0.262 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.716 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 0.000 0.000 0.267 463 G C -0.515 174.599 174.900 0.357 0.000 1.264 463 G CA -0.005 45.199 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.434 119.629 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 0.000 0.000 0.340 464 H C 0.114 175.619 175.328 0.295 0.000 1.004 464 H CA 0.059 56.259 56.048 0.252 0.000 1.288 464 H CB 1.023 30.860 29.762 0.126 0.000 1.607 464 H HN 1.264 nan 8.280 nan 0.000 0.522 465 G N 1.382 110.187 108.800 0.009 0.000 2.672 465 G HA2 0.453 4.413 3.960 0.000 0.000 0.292 465 G HA3 0.453 4.413 3.960 0.000 0.000 0.292 465 G C 0.494 175.221 174.900 -0.288 0.000 1.375 465 G CA -0.142 44.817 45.100 -0.234 0.000 0.890 465 G HN 0.665 nan 8.290 nan 0.000 0.476 466 A N 0.604 123.302 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 0.000 0.000 0.220 466 A C 2.187 179.726 177.584 -0.076 0.000 1.171 466 A CA 2.207 54.179 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.567 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.182 4.558 4.740 0.000 0.000 0.190 467 N C 1.416 176.851 175.510 -0.126 0.000 1.017 467 N CA 1.886 54.843 53.050 -0.155 0.000 0.859 467 N CB -0.724 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.394 119.406 119.070 -0.097 0.000 2.293 468 H HA -0.044 4.512 4.556 0.000 0.000 0.300 468 H C 1.367 176.734 175.328 0.065 0.000 1.082 468 H CA 1.353 57.358 56.048 -0.071 0.000 1.308 468 H CB 0.066 29.772 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.517 121.050 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 0.000 0.000 0.193 469 D C 2.313 178.754 176.300 0.235 0.000 0.998 469 D CA 1.343 55.474 54.000 0.220 0.000 0.836 469 D CB -0.563 40.333 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.799 123.707 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 0.000 0.000 0.218 470 A C 2.464 180.153 177.584 0.175 0.000 1.181 470 A CA 1.041 53.160 52.037 0.137 0.000 0.627 470 A CB -0.772 18.267 19.000 0.065 0.000 0.818 470 A HN 0.215 nan 8.150 nan 0.000 0.445 471 L N -2.169 119.140 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 0.000 0.000 0.207 471 L C 2.600 179.611 176.870 0.235 0.000 1.078 471 L CA 1.739 56.665 54.840 0.144 0.000 0.749 471 L CB -0.808 41.273 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.950 121.329 120.300 0.131 0.000 2.081 472 Y HA -0.315 4.235 4.550 0.000 0.000 0.280 472 Y C 2.919 178.897 175.900 0.131 0.000 1.163 472 Y CA 1.629 59.809 58.100 0.135 0.000 1.135 472 Y CB -0.233 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.009 120.640 120.500 0.219 0.000 2.083 473 R HA -0.250 4.090 4.340 0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.014 58.163 56.100 0.082 0.000 0.951 473 R CB -1.696 28.727 30.300 0.204 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.310 122.567 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 0.000 0.000 0.313 474 W C 1.942 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.948 59.236 57.345 -0.095 0.000 1.266 474 W CB -0.421 28.987 29.460 -0.087 0.000 1.150 474 W HN 0.022 nan 8.180 nan 0.000 0.496 475 I N 0.615 121.176 120.570 -0.014 0.000 2.142 475 I HA -0.351 3.819 4.170 0.000 0.000 0.240 475 I C 2.468 178.353 176.117 -0.386 0.000 1.078 475 I CA 1.433 62.555 61.300 -0.297 0.000 1.343 475 I CB -1.016 36.877 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 0.000 0.000 0.210 476 K C 2.219 178.667 176.600 -0.252 0.000 1.048 476 K CA 1.892 58.005 56.287 -0.290 0.000 0.926 476 K CB -0.668 31.640 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.311 115.826 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 0.000 0.000 0.225 477 S C 2.227 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.808 58.830 58.200 -0.297 0.000 0.965 477 S CB -0.131 62.905 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.383 120.927 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.406 0.000 1.045 478 V CA 1.237 63.155 62.300 -0.637 0.000 1.058 478 V CB -0.235 30.891 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.713 119.488 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 0.000 0.000 0.253 479 D C -2.271 174.005 176.300 -0.040 0.000 1.288 479 D CA -1.768 52.154 54.000 -0.130 0.000 0.950 479 D CB 1.977 42.784 40.800 0.011 0.000 1.197 479 D HN 0.079 nan 8.370 nan 0.000 0.550 480 P HA 0.026 nan 4.420 nan 0.000 0.255 480 P C 1.078 178.394 177.300 0.027 0.000 1.248 480 P CA 0.229 63.316 63.100 -0.020 0.000 0.807 480 P CB 0.312 31.990 31.700 -0.036 0.000 1.150 481 S N -0.503 115.225 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 0.000 0.000 0.228 481 S C 0.908 175.538 174.600 0.051 0.000 0.995 481 S CA -0.039 58.193 58.200 0.054 0.000 0.934 481 S CB -0.399 62.827 63.200 0.044 0.000 0.771 481 S HN 0.106 nan 8.310 nan 0.000 0.522 482 R N 0.954 121.502 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 0.000 0.000 0.279 482 R C -3.221 173.142 176.300 0.106 0.000 0.977 482 R CA -2.409 53.711 56.100 0.032 0.000 0.906 482 R CB 1.063 31.265 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.634 63.100 0.106 0.000 0.802 483 P CB 0.783 32.529 31.700 0.078 0.000 1.035 484 V N 1.863 121.900 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 0.000 0.000 0.302 484 V C 0.140 176.411 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.333 33.300 31.823 0.240 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.674 123.629 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.953 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.187 120.505 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 0.000 0.000 0.321 486 Y C -0.372 175.478 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.097 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.338 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 0.000 0.000 0.192 487 E C 0.734 176.875 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.802 56.400 -0.608 0.000 0.849 487 E CB 0.176 29.637 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.064 107.966 108.800 -1.497 0.000 2.464 488 G HA2 0.157 4.117 3.960 0.000 0.000 0.231 488 G HA3 0.157 4.117 3.960 0.000 0.000 0.231 488 G C 0.808 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.399 45.026 45.100 -0.788 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.243 108.499 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 0.000 0.000 0.260 489 G C 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.103 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.715 107.066 108.800 -0.031 0.000 2.229 490 G HA2 0.420 4.380 3.960 0.000 0.000 0.189 490 G HA3 0.420 4.380 3.960 0.000 0.000 0.189 490 G C 1.090 176.081 174.900 0.152 0.000 1.000 490 G CA 1.329 46.469 45.100 0.066 0.000 0.663 490 G HN 2.339 nan 8.290 nan 0.000 0.493 491 A N -0.153 122.652 122.820 -0.025 0.000 3.413 491 A HA -0.114 4.206 4.320 0.000 0.000 0.268 491 A C 1.094 178.625 177.584 -0.088 0.000 1.128 491 A CA 2.666 54.641 52.037 -0.103 0.000 1.062 491 A CB -1.810 17.100 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.095 119.320 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.018 0.000 1.455 492 D CA 0.841 54.863 54.000 0.036 0.000 0.796 492 D CB -1.153 39.798 40.800 0.253 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.450 112.029 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 0.000 0.000 0.295 493 T C 1.615 176.183 174.700 -0.219 0.000 1.007 493 T CA 0.581 62.534 62.100 -0.245 0.000 0.980 493 T CB 1.031 69.540 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.142 112.271 114.554 -0.235 0.000 3.113 494 T HA 0.127 4.478 4.350 0.000 0.000 0.263 494 T C 1.647 176.101 174.700 -0.411 0.000 1.143 494 T CA 0.600 62.575 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.140 122.750 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 0.000 0.000 0.227 495 A C 0.979 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.026 51.759 52.037 -0.419 0.000 0.870 495 A CB -0.110 18.900 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.529 112.887 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 0.000 0.000 0.299 496 T C -0.561 174.169 174.700 0.050 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.318 70.189 68.868 0.005 0.000 1.070 496 T HN 0.077 nan 8.240 nan 0.000 0.465 497 D N 2.623 123.129 120.400 0.178 0.000 2.349 497 D HA 0.304 4.944 4.640 0.000 0.000 0.215 497 D C 0.256 176.592 176.300 0.061 0.000 1.016 497 D CA 0.661 54.750 54.000 0.148 0.000 0.870 497 D CB 0.397 41.310 40.800 0.189 0.000 0.917 497 D HN 0.512 nan 8.370 nan 0.000 0.524 498 I N 0.473 121.059 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 0.000 0.000 0.298 498 I C -0.428 175.631 176.117 -0.097 0.000 1.128 498 I CA -0.955 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.996 40.984 38.000 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.904 125.372 120.570 -0.171 0.000 2.363 499 I HA 0.125 4.295 4.170 0.000 0.000 0.292 499 I C -0.056 175.869 176.117 -0.320 0.000 1.075 499 I CA -0.165 60.947 61.300 -0.313 0.000 1.333 499 I CB 0.051 37.770 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.415 124.547 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 0.000 0.000 0.227 500 C C -2.192 172.665 174.990 -0.222 0.000 1.409 500 C CA -2.266 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.889 26.785 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.438 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.720 177.300 -0.112 0.000 1.266 501 P CA -0.030 62.958 63.100 -0.186 0.000 0.793 501 P CB 0.693 32.282 31.700 -0.186 0.000 1.074 502 M N -0.885 118.678 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.963 4.480 0.000 0.000 0.293 502 M C -1.083 175.201 176.300 -0.025 0.000 0.994 502 M CA -0.632 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.649 34.084 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.323 120.126 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 0.000 0.000 0.239 503 Y C 0.489 176.543 175.900 0.256 0.000 1.043 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.045 503 Y CB -2.165 36.412 38.460 0.195 0.000 1.599 503 Y HN 1.006 nan 8.280 nan 0.000 0.655 504 A N 1.093 124.120 122.820 0.345 0.000 2.425 504 A HA 0.615 4.935 4.320 0.000 0.000 0.249 504 A C 0.671 178.453 177.584 0.330 0.000 1.084 504 A CA -0.375 51.865 52.037 0.339 0.000 0.781 504 A CB 0.412 19.638 19.000 0.376 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.130 121.759 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 0.000 0.000 0.268 505 R C 1.097 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.476 56.100 0.102 0.000 1.142 505 R CB 0.763 31.100 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.671 120.406 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 0.000 0.000 0.245 506 V C 0.868 176.844 176.094 -0.195 0.000 1.043 506 V CA 1.899 63.972 62.300 -0.378 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.768 nan 8.190 nan 0.000 0.447 507 D N -1.423 118.896 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 0.000 0.000 0.213 507 D C 0.747 177.028 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.948 41.708 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.604 121.792 120.200 -0.019 0.000 2.179 508 E HA 0.198 4.548 4.350 0.000 0.000 0.275 508 E C -1.036 175.568 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.463 31.159 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.236 123.637 120.400 0.002 0.000 2.225 509 D HA 0.183 4.823 4.640 0.000 0.000 0.249 509 D C -0.752 175.449 176.300 -0.164 0.000 1.052 509 D CA -0.025 53.967 54.000 -0.012 0.000 0.909 509 D CB 1.410 42.262 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.556 121.148 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 0.000 0.000 0.250 510 Q C -2.342 173.004 176.000 -1.091 0.000 0.991 510 Q CA -1.643 53.746 55.803 -0.689 0.000 0.707 510 Q CB 2.454 30.805 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.066 nan 4.420 nan 0.000 0.220 511 P C -0.852 176.093 177.300 -0.592 0.000 1.806 511 P CA -0.134 62.541 63.100 -0.709 0.000 0.976 511 P CB -0.531 30.955 31.700 -0.357 0.000 1.952 512 F N 2.434 122.231 119.950 -0.254 0.000 2.459 512 F HA 0.262 4.789 4.527 0.000 0.000 0.346 512 F C -1.216 174.478 175.800 -0.177 0.000 1.128 512 F CA -2.630 55.268 58.000 -0.171 0.000 1.268 512 F CB -0.451 38.465 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.702 177.300 0.025 0.000 1.195 513 P CA 0.969 64.085 63.100 0.026 0.000 0.768 513 P CB 1.012 32.729 31.700 0.028 0.000 0.838 514 A N 2.840 125.660 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 0.000 0.000 0.241 514 A C 0.714 178.293 177.584 -0.009 0.000 0.569 514 A CA 2.176 54.215 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.752 nan 8.150 nan 0.000 0.679 515 V N -3.563 116.349 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 0.000 0.000 0.260 515 V C -2.667 173.430 176.094 0.004 0.000 0.933 515 V CA -1.250 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.899 32.724 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.727 176.127 177.300 -0.743 0.000 1.231 516 P CA 0.052 62.797 63.100 -0.592 0.000 0.790 516 P CB 0.966 31.917 31.700 -1.248 0.000 0.951 517 K N 2.133 122.149 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 0.000 0.000 0.252 517 K C -0.481 175.840 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.634 33.222 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.560 122.586 121.300 -0.456 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.653 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.515 29.641 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.198 119.062 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 0.000 0.000 0.288 519 S C 1.133 175.876 174.600 0.239 0.000 1.318 519 S CA -0.230 58.071 58.200 0.167 0.000 1.056 519 S CB 0.259 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.425 122.094 120.570 0.164 0.000 2.361 520 I HA -0.176 3.994 4.170 0.000 0.000 0.251 520 I C 1.867 178.006 176.117 0.036 0.000 1.133 520 I CA 1.228 62.624 61.300 0.160 0.000 1.413 520 I CB -0.572 37.461 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.945 122.274 120.400 -0.118 0.000 2.148 521 K HA -0.160 4.160 4.320 0.000 0.000 0.204 521 K C 2.154 178.738 176.600 -0.027 0.000 1.050 521 K CA 1.537 57.685 56.287 -0.231 0.000 0.942 521 K CB -0.284 31.985 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.677 121.087 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.642 56.918 56.287 -0.018 0.000 0.941 522 K CB -0.090 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.082 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 0.000 0.000 0.306 523 W C 1.559 178.042 176.519 -0.060 0.000 1.217 523 W CA 1.339 58.658 57.345 -0.042 0.000 1.257 523 W CB -0.662 28.876 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.794 122.164 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 0.000 0.000 0.212 524 L C 2.541 179.467 176.870 0.093 0.000 1.080 524 L CA 2.089 57.008 54.840 0.131 0.000 0.754 524 L CB -1.013 41.104 42.059 0.097 0.000 0.893 524 L HN 0.027 nan 8.230 nan 0.000 0.433 525 S N -1.035 114.699 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 0.000 0.000 0.217 525 S C 0.746 175.321 174.600 -0.041 0.000 0.966 525 S CA -0.461 57.744 58.200 0.008 0.000 0.914 525 S CB -0.479 62.720 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.193 123.380 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 0.000 0.000 0.281 526 L C -2.213 174.624 176.870 -0.055 0.000 1.228 526 L CA -1.720 53.047 54.840 -0.122 0.000 0.850 526 L CB -0.437 41.515 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.001 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.126 177.300 -0.015 0.000 1.185 527 P CA 0.990 64.066 63.100 -0.040 0.000 0.763 527 P CB 0.694 32.365 31.700 -0.048 0.000 0.776 528 G N 2.044 110.842 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 528 G C 0.313 175.227 174.900 0.023 0.000 0.998 528 G CA 0.134 45.239 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.211 121.430 120.200 0.032 0.000 2.392 529 E HA 0.543 4.893 4.350 0.000 0.000 0.264 529 E C 1.406 178.028 176.600 0.037 0.000 1.024 529 E CA 0.992 57.425 56.400 0.053 0.000 0.903 529 E CB 0.783 30.544 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.526 115.098 114.554 0.030 0.000 3.131 530 T HA 0.302 4.652 4.350 0.000 0.000 0.283 530 T C 0.579 175.285 174.700 0.011 0.000 0.906 530 T CA -0.453 61.658 62.100 0.020 0.000 0.882 530 T CB 0.042 68.922 68.868 0.019 0.000 1.208 530 T HN 0.276 nan 8.240 nan 0.000 0.561 531 R N 2.165 122.667 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.574 54.517 56.100 -0.014 0.000 1.182 531 R CB 0.040 30.325 30.300 -0.025 0.000 1.084 531 R HN 0.244 nan 8.270 nan 0.000 0.528 532 P HA 0.132 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.070 0.000 0.811 532 P CB 0.653 32.312 31.700 -0.068 0.000 1.035 533 L N 1.931 123.067 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 0.000 0.000 0.277 533 L C -1.378 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.293 54.424 54.840 -0.206 0.000 0.822 533 L CB 0.855 42.755 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.457 125.894 120.570 -0.223 0.000 2.512 534 I HA 0.311 4.481 4.170 0.000 0.000 0.287 534 I C -0.969 175.048 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.070 39.983 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.476 126.571 121.223 -0.214 0.000 2.360 535 L HA 0.122 4.462 4.340 0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.262 54.514 54.840 -0.106 0.000 0.845 535 L CB 0.860 42.822 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.346 119.694 119.300 0.080 0.000 2.446 536 C HA 0.113 4.573 4.460 0.000 0.000 0.279 536 C C 0.620 175.743 174.990 0.221 0.000 1.366 536 C CA -0.091 59.021 59.018 0.157 0.000 1.763 536 C CB -0.956 26.787 27.740 0.006 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.784 119.470 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 0.000 0.000 0.281 537 E C -1.378 175.142 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.917 31.473 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.822 119.443 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.157 4.550 0.000 0.000 0.334 538 Y C -0.806 175.262 175.900 0.279 0.000 1.196 538 Y CA -0.755 57.346 58.100 0.001 0.000 1.059 538 Y CB 0.992 39.360 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.145 125.032 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 0.000 0.000 0.289 539 A C -0.324 177.391 177.584 0.218 0.000 1.437 539 A CA 1.002 53.081 52.037 0.072 0.000 0.734 539 A CB -2.531 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.583 119.825 119.070 0.287 0.000 3.248 540 H HA 0.175 4.731 4.556 0.000 0.000 0.258 540 H C 1.242 176.652 175.328 0.137 0.000 0.923 540 H CA 0.811 57.044 56.048 0.308 0.000 1.416 540 H CB 0.335 30.174 29.762 0.128 0.000 1.523 540 H HN 0.860 nan 8.280 nan 0.000 0.528 541 A N 6.452 129.193 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 0.000 0.000 0.258 541 A C 0.965 178.398 177.584 -0.251 0.000 1.391 541 A CA -0.345 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.301 19.000 -0.210 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.525 120.952 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 0.000 0.000 0.336 542 M C 1.047 177.183 176.300 -0.273 0.000 1.489 542 M CA 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.522 31.957 32.600 -0.201 0.000 1.657 542 M HN 0.803 nan 8.290 nan 0.000 0.455 543 G N 4.310 112.937 108.800 -0.288 0.000 2.527 543 G HA2 -0.336 3.624 3.960 0.000 0.000 0.268 543 G HA3 -0.336 3.624 3.960 0.000 0.000 0.268 543 G C -0.147 174.283 174.900 -0.782 0.000 1.175 543 G CA 0.023 44.794 45.100 -0.548 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.524 119.581 118.700 -1.072 0.000 2.549 544 N HA 0.492 5.232 4.740 0.000 0.000 0.267 544 N C 0.029 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.120 53.706 53.050 -0.773 0.000 1.019 544 N CB 0.282 38.338 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.594 117.125 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 0.000 0.000 0.323 545 S C -0.019 174.504 174.600 -0.129 0.000 1.141 545 S CA -0.383 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.286 63.398 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.104 121.280 121.223 -0.078 0.000 4.793 546 L HA -0.060 4.280 4.340 0.000 0.000 0.404 546 L C 0.488 177.380 176.870 0.038 0.000 1.022 546 L CA 0.956 55.767 54.840 -0.048 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.182 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.877 107.920 108.800 -0.003 0.000 2.365 547 G HA2 0.482 4.442 3.960 0.000 0.000 0.249 547 G HA3 0.482 4.442 3.960 0.000 0.000 0.249 547 G C 1.247 176.192 174.900 0.076 0.000 1.288 547 G CA 0.218 45.302 45.100 -0.027 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.813 110.668 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.651 3.960 0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 0.000 0.000 0.236 548 G C 1.131 176.247 174.900 0.359 0.000 0.991 548 G CA 0.750 45.966 45.100 0.193 0.000 0.629 548 G HN 0.789 nan 8.290 nan 0.000 0.517 549 F N 2.196 122.283 119.950 0.227 0.000 2.085 549 F HA -0.038 4.489 4.527 0.000 0.000 0.299 549 F C 2.777 178.807 175.800 0.383 0.000 1.096 549 F CA 2.949 61.148 58.000 0.332 0.000 1.227 549 F CB -0.584 38.536 39.000 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.440 122.547 122.820 0.279 0.000 1.978 550 A HA -0.235 4.085 4.320 0.000 0.000 0.220 550 A C 2.312 179.919 177.584 0.037 0.000 1.170 550 A CA 1.747 53.870 52.037 0.143 0.000 0.636 550 A CB -0.750 18.339 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.547 118.867 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 0.000 0.000 0.209 551 K C 1.808 178.199 176.600 -0.349 0.000 1.048 551 K CA 2.045 58.259 56.287 -0.122 0.000 0.926 551 K CB -0.346 32.074 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.954 119.075 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 552 Y C 2.131 177.081 175.900 -1.583 0.000 1.136 552 Y CA 1.348 58.823 58.100 -1.041 0.000 1.147 552 Y CB -0.424 37.392 38.460 -1.072 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.618 121.491 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 0.000 0.000 0.289 553 W C 2.666 178.996 176.519 -0.314 0.000 1.215 553 W CA 1.936 58.975 57.345 -0.510 0.000 1.236 553 W CB -0.560 28.680 29.460 -0.367 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.483 120.182 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 0.000 0.000 0.199 554 Q C 2.176 178.108 176.000 -0.113 0.000 0.966 554 Q CA 1.814 57.566 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.229 28.738 -0.039 0.000 0.907 554 Q HN 0.215 nan 8.270 nan 0.000 0.439 555 A N 0.752 123.410 122.820 -0.269 0.000 1.902 555 A HA -0.111 4.209 4.320 0.000 0.000 0.217 555 A C 1.935 179.487 177.584 -0.053 0.000 1.181 555 A CA 1.160 53.080 52.037 -0.196 0.000 0.623 555 A CB -1.111 17.647 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.290 119.494 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.274 4.527 0.000 0.000 0.299 556 F C 2.755 178.464 175.800 -0.151 0.000 1.103 556 F CA 1.294 59.101 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.383 39.000 -0.651 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.080 120.648 120.500 0.112 0.000 2.148 557 R HA -0.186 4.155 4.340 0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.070 0.000 1.103 557 R CA 1.283 57.431 56.100 0.080 0.000 0.983 557 R CB -0.395 29.946 30.300 0.068 0.000 0.874 557 R HN 0.444 nan 8.270 nan 0.000 0.451 558 Q N -0.449 119.424 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 0.000 0.000 0.206 558 Q C -0.610 175.439 176.000 0.082 0.000 0.919 558 Q CA 0.489 56.352 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.375 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.497 120.780 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 0.000 0.000 0.331 559 Y C -1.792 174.084 175.900 -0.041 0.000 0.959 559 Y CA -2.909 55.173 58.100 -0.030 0.000 1.204 559 Y CB 1.550 39.995 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.854 64.960 63.100 0.010 0.000 0.887 560 P CB 0.352 32.043 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 0.000 0.000 0.198 561 R C 0.572 176.851 176.300 -0.036 0.000 0.988 561 R CA 0.146 56.246 56.100 0.000 0.000 1.041 561 R CB -0.480 29.829 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.952 123.167 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 0.000 0.000 0.287 562 L C 0.672 177.397 176.870 -0.240 0.000 1.075 562 L CA 0.030 54.812 54.840 -0.098 0.000 0.839 562 L CB 1.268 43.335 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.902 122.498 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 0.000 0.000 0.213 563 Q C 0.847 176.446 176.000 -0.668 0.000 0.874 563 Q CA 0.099 55.660 55.803 -0.404 0.000 0.965 563 Q CB 0.904 29.493 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.327 107.715 108.800 -1.263 0.000 2.378 564 G HA2 0.154 4.114 3.960 0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.263 0.000 1.223 564 G CA -0.744 43.316 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.213 106.083 108.800 -0.840 0.000 2.349 565 G HA2 0.655 4.615 3.960 0.000 0.000 0.294 565 G HA3 0.655 4.615 3.960 0.000 0.000 0.294 565 G C -1.853 172.939 174.900 -0.180 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.493 120.678 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 0.000 0.000 0.342 566 F C 0.716 176.824 175.800 0.513 0.000 1.127 566 F CA -0.802 57.462 58.000 0.441 0.000 0.975 566 F CB 2.157 41.316 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.880 123.109 119.914 0.525 0.000 2.963 567 V HA -0.062 4.059 4.120 0.000 0.000 0.306 567 V C -0.372 175.889 176.094 0.278 0.000 1.077 567 V CA -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.014 32.924 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.995 127.362 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 0.000 0.000 0.315 568 W C -1.055 175.489 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.422 31.129 29.460 0.412 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.602 122.647 120.400 -0.592 0.000 2.812 569 D HA 0.113 4.754 4.640 0.000 0.000 0.318 569 D C 0.781 176.864 176.300 -0.362 0.000 1.234 569 D CA -0.551 53.008 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.645 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.560 121.553 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 0.000 0.000 0.324 570 W C -0.069 176.224 176.519 -0.378 0.000 1.209 570 W CA 1.483 58.582 57.345 -0.409 0.000 1.275 570 W CB 0.114 29.367 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.917 120.628 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 0.000 0.000 0.316 571 V C -0.447 175.453 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.348 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.582 121.810 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 0.000 0.000 0.245 572 D C -0.023 176.131 176.300 -0.244 0.000 1.120 572 D CA 0.205 54.084 54.000 -0.202 0.000 0.890 572 D CB 1.347 42.117 40.800 -0.050 0.000 1.201 572 D HN 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.996 120.585 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 0.000 0.000 0.335 573 Q C -0.348 175.602 176.000 -0.082 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.246 28.649 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.021 115.801 115.700 0.134 0.000 2.549 574 S HA 0.698 5.168 4.470 0.000 0.000 0.297 574 S C -0.282 174.493 174.600 0.293 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.562 64.907 63.200 0.243 0.000 1.046 574 S HN 0.317 nan 8.310 nan 0.000 0.506 575 L N 1.770 123.084 121.223 0.152 0.000 2.322 575 L HA 0.613 4.953 4.340 0.000 0.000 0.269 575 L C -0.431 176.337 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.663 54.840 -0.067 0.000 0.815 575 L CB 1.427 43.330 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.333 121.744 120.570 -0.265 0.000 2.440 576 I HA 0.298 4.468 4.170 0.000 0.000 0.294 576 I C -0.017 175.708 176.117 -0.655 0.000 0.995 576 I CA 0.007 61.021 61.300 -0.477 0.000 1.306 576 I CB 1.079 38.822 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.231 123.937 120.400 -1.157 0.000 2.466 577 K HA 0.584 4.904 4.320 0.000 0.000 0.260 577 K C -1.782 174.077 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.338 33.884 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.474 120.622 120.300 -0.253 0.000 2.499 578 Y HA 0.180 4.730 4.550 0.000 0.000 0.347 578 Y C -0.077 176.006 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.046 58.100 0.059 0.000 1.044 578 Y CB 1.376 39.845 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.107 120.801 120.400 0.490 0.000 2.388 579 D HA 0.055 4.695 4.640 0.000 0.000 0.254 579 D C 0.967 177.389 176.300 0.204 0.000 1.111 579 D CA -0.568 53.610 54.000 0.298 0.000 0.993 579 D CB 0.691 41.594 40.800 0.171 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.869 121.139 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 0.000 0.000 0.198 580 E C 0.213 176.851 176.600 0.063 0.000 0.998 580 E CA 1.090 57.532 56.400 0.070 0.000 0.818 580 E CB -0.798 28.923 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.120 119.866 118.700 0.077 0.000 2.421 581 N HA 0.126 4.866 4.740 0.000 0.000 0.201 581 N C 0.845 176.409 175.510 0.089 0.000 1.198 581 N CA 0.836 53.925 53.050 0.066 0.000 0.838 581 N CB 0.256 38.777 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.681 109.551 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 0.000 0.000 0.273 582 G C -0.439 174.641 174.900 0.299 0.000 1.036 582 G CA -0.265 44.910 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.112 120.011 118.700 0.331 0.000 2.438 583 N HA 0.500 5.240 4.740 0.000 0.000 0.282 583 N C -2.471 173.233 175.510 0.325 0.000 1.037 583 N CA -1.490 51.745 53.050 0.309 0.000 0.942 583 N CB 2.058 40.667 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.585 176.640 177.300 -0.125 0.000 1.253 584 P CA -0.366 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.673 32.160 31.700 -0.355 0.000 0.961 585 W N -0.209 120.832 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 0.000 0.000 0.314 585 W C -1.475 174.847 176.519 -0.328 0.000 1.238 585 W CA -0.995 56.122 57.345 -0.379 0.000 1.193 585 W CB 0.195 29.291 29.460 -0.607 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.934 117.636 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 0.000 0.000 0.278 586 S C 0.264 174.967 174.600 0.172 0.000 1.259 586 S CA -0.160 58.052 58.200 0.021 0.000 1.061 586 S CB 0.891 64.166 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.818 125.619 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 0.000 0.000 0.334 587 A C -0.621 177.222 177.584 0.431 0.000 1.139 587 A CA -0.789 51.298 52.037 0.083 0.000 0.830 587 A CB 0.716 19.543 19.000 -0.289 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.100 119.527 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 0.000 0.000 0.310 588 Y C 0.592 176.833 175.900 0.567 0.000 1.526 588 Y CA -1.327 57.076 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.542 38.460 0.195 0.000 1.404 588 Y HN 1.000 nan 8.280 nan 0.000 0.491 589 G N 0.086 109.267 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 0.000 0.000 0.239 589 G C 1.028 176.263 174.900 0.559 0.000 1.200 589 G CA 0.574 45.993 45.100 0.531 0.000 0.888 589 G HN 2.041 nan 8.290 nan 0.000 0.482 590 G N 2.307 111.402 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 590 G C 0.917 176.033 174.900 0.361 0.000 0.987 590 G CA 0.765 46.095 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.109 4.750 4.640 0.000 0.000 0.222 591 D C 1.264 177.460 176.300 -0.174 0.000 0.980 591 D CA 0.625 54.714 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.041 119.031 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 0.000 0.000 0.304 592 F C 1.746 177.635 175.800 0.150 0.000 1.119 592 F CA -0.357 57.728 58.000 0.141 0.000 1.280 592 F CB 0.515 39.591 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.600 109.563 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.656 3.960 0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 0.000 0.000 0.265 593 G C -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.322 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.533 121.132 120.400 0.332 0.000 2.450 594 D HA 0.402 5.043 4.640 0.000 0.000 0.247 594 D C -0.015 176.418 176.300 0.221 0.000 1.162 594 D CA 0.656 54.839 54.000 0.304 0.000 0.879 594 D CB 1.130 42.171 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.388 117.040 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 0.000 0.000 0.305 595 T C -2.358 172.383 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.001 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.529 nan 4.420 nan 0.000 0.279 596 P C -1.098 176.192 177.300 -0.017 0.000 1.276 596 P CA -0.665 62.437 63.100 0.002 0.000 0.801 596 P CB 0.749 32.423 31.700 -0.043 0.000 1.127 597 N N -1.279 117.412 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 0.000 0.000 0.259 597 N C -1.270 174.204 175.510 -0.060 0.000 1.402 597 N CA -0.547 52.478 53.050 -0.041 0.000 0.829 597 N CB 1.320 39.881 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.209 120.551 120.400 -0.098 0.000 2.772 598 D HA 0.148 4.788 4.640 0.000 0.000 0.272 598 D C 0.594 177.124 176.300 0.383 0.000 1.314 598 D CA -0.218 53.800 54.000 0.030 0.000 0.835 598 D CB 0.847 41.491 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.293 120.996 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 0.000 0.000 0.556 599 R C 0.944 177.240 176.300 -0.007 0.000 0.241 599 R CA 1.454 57.725 56.100 0.284 0.000 1.724 599 R CB -1.359 29.017 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.642 120.125 119.800 -0.528 0.000 2.437 600 Q HA 0.104 4.444 4.340 0.000 0.000 0.210 600 Q C 1.809 177.525 176.000 -0.474 0.000 0.972 600 Q CA 1.532 56.862 55.803 -0.788 0.000 0.903 600 Q CB -0.223 27.922 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.680 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 0.000 0.000 0.302 601 F C 1.874 177.623 175.800 -0.085 0.000 1.063 601 F CA 1.042 59.030 58.000 -0.020 0.000 1.362 601 F CB -0.440 38.612 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.378 117.667 119.300 -0.424 0.000 2.539 602 C HA 0.181 4.641 4.460 0.000 0.000 0.271 602 C C 1.000 175.794 174.990 -0.327 0.000 1.412 602 C CA -0.486 58.135 59.018 -0.663 0.000 1.729 602 C CB -1.894 24.945 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.158 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 0.000 0.000 0.342 603 M C -0.433 175.752 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.415 55.300 -0.197 0.000 0.981 603 M CB 0.393 32.900 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.556 120.141 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 0.000 0.000 0.248 604 N C 0.176 175.482 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.298 39.692 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.035 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 0.000 0.000 0.289 605 G C 0.880 175.316 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.557 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.415 120.350 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.505 4.340 0.000 0.000 0.219 606 L C 0.691 176.919 176.870 -1.070 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.749 0.000 0.844 606 L CB -0.145 41.642 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.231 113.945 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 0.000 0.000 0.312 607 V C -0.429 175.194 176.094 -0.786 0.000 1.115 607 V CA -1.241 60.470 62.300 -0.981 0.000 0.998 607 V CB 1.710 33.012 31.823 -0.868 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.250 121.061 119.950 -0.231 0.000 2.444 608 F HA 0.558 5.085 4.527 0.000 0.000 0.331 608 F C 1.941 177.650 175.800 -0.151 0.000 1.167 608 F CA 0.371 58.343 58.000 -0.046 0.000 1.262 608 F CB 1.407 40.413 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.213 124.112 122.820 0.132 0.000 1.997 609 A HA -0.294 4.026 4.320 0.000 0.000 0.221 609 A C 1.612 179.158 177.584 -0.063 0.000 1.172 609 A CA 2.181 54.231 52.037 0.022 0.000 0.645 609 A CB -1.148 17.895 19.000 0.071 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.895 117.490 120.400 -0.026 0.000 2.378 610 D HA 0.118 4.758 4.640 0.000 0.000 0.227 610 D C 0.636 176.914 176.300 -0.037 0.000 1.012 610 D CA 0.361 54.322 54.000 -0.066 0.000 0.905 610 D CB -0.143 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.031 119.447 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 0.000 0.000 0.292 611 R C -0.782 175.505 176.300 -0.022 0.000 1.148 611 R CA 1.040 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.109 27.180 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.142 112.460 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 0.000 0.000 0.280 612 T C -2.471 172.372 174.700 0.238 0.000 0.987 612 T CA -2.422 59.771 62.100 0.156 0.000 0.966 612 T CB 2.435 71.390 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.009 63.076 63.100 -0.026 0.000 0.772 613 P CB 0.250 31.949 31.700 -0.002 0.000 0.855 614 H N 2.927 121.795 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 0.000 0.000 0.344 614 H C -1.190 174.030 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.713 56.048 -0.355 0.000 1.290 614 H CB 0.860 30.378 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.250 178.546 177.300 -0.006 0.000 1.149 615 P CA 1.278 64.364 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.188 123.005 122.820 -0.004 0.000 1.958 616 A HA -0.226 4.095 4.320 0.000 0.000 0.221 616 A C 2.154 179.687 177.584 -0.085 0.000 1.178 616 A CA 1.687 53.688 52.037 -0.061 0.000 0.642 616 A CB -1.751 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.016 121.203 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 0.000 0.000 0.213 617 L C 2.493 179.398 176.870 0.058 0.000 1.079 617 L CA 2.835 57.670 54.840 -0.008 0.000 0.758 617 L CB -1.010 41.043 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.334 113.258 114.554 0.065 0.000 2.737 618 T HA -0.208 4.142 4.350 0.000 0.000 0.265 618 T C 1.714 176.514 174.700 0.168 0.000 1.038 618 T CA 1.357 63.546 62.100 0.149 0.000 1.144 618 T CB -0.238 68.702 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.546 121.795 120.200 0.081 0.000 2.085 619 E HA -0.121 4.229 4.350 0.000 0.000 0.194 619 E C 2.235 178.862 176.600 0.046 0.000 0.994 619 E CA 1.408 57.865 56.400 0.095 0.000 0.801 619 E CB -0.567 29.153 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.992 123.738 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 0.000 0.000 0.217 620 A C 2.188 179.694 177.584 -0.129 0.000 1.191 620 A CA 2.216 54.156 52.037 -0.162 0.000 0.623 620 A CB -0.774 18.115 19.000 -0.185 0.000 0.826 620 A HN 0.310 nan 8.150 nan 0.000 0.444 621 K N -1.296 119.092 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 0.000 0.000 0.210 621 K C 2.065 178.577 176.600 -0.148 0.000 1.049 621 K CA 2.161 58.438 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.243 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.432 119.349 119.070 -0.256 0.000 2.293 622 H HA -0.057 4.499 4.556 0.000 0.000 0.300 622 H C 1.948 176.996 175.328 -0.467 0.000 1.082 622 H CA 1.991 57.691 56.048 -0.580 0.000 1.308 622 H CB -0.109 29.348 29.762 -0.508 0.000 1.375 622 H HN 0.249 nan 8.280 nan 0.000 0.495 623 Q N 0.247 119.750 119.800 -0.495 0.000 2.291 623 Q HA -0.117 4.223 4.340 0.000 0.000 0.206 623 Q C 1.722 177.168 176.000 -0.923 0.000 0.976 623 Q CA 1.352 56.774 55.803 -0.635 0.000 0.875 623 Q CB -0.042 28.437 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.572 119.833 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 0.000 0.000 0.202 624 Q C 0.066 175.512 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.303 28.423 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.980 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 0.000 0.000 0.288 625 Q C -0.241 175.344 176.000 -0.691 0.000 1.086 625 Q CA 0.407 55.915 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.221 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.151 119.544 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 0.000 0.000 0.302 626 F C -0.132 175.104 175.800 -0.939 0.000 1.130 626 F CA 0.012 57.518 58.000 -0.823 0.000 1.387 626 F CB 0.429 38.582 39.000 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.071 119.913 119.950 -0.180 0.000 2.532 627 F HA 0.490 5.017 4.527 0.000 0.000 0.321 627 F C -0.235 175.230 175.800 -0.558 0.000 1.089 627 F CA -1.077 56.730 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.200 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.082 122.610 119.800 -0.453 0.000 2.353 628 Q HA 0.514 4.854 4.340 0.000 0.000 0.268 628 Q C -1.458 174.199 176.000 -0.572 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.054 31.685 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.464 120.538 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 0.000 0.000 0.324 629 F C 0.549 176.584 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.331 0.000 0.944 629 F CB 1.905 41.223 39.000 0.530 0.000 1.175 629 F HN 0.114 nan 8.300 nan 0.000 0.468 630 R N 1.757 122.568 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 0.000 0.000 0.288 630 R C -2.005 174.359 176.300 0.107 0.000 0.980 630 R CA -1.174 55.127 56.100 0.334 0.000 0.891 630 R CB 2.667 33.071 30.300 0.173 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.375 122.548 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 0.000 0.000 0.280 631 L C -1.010 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.086 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.948 43.286 42.059 -1.201 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.785 119.359 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 0.000 0.000 0.286 632 S C 0.447 174.961 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.256 63.410 63.200 -0.076 0.000 1.036 632 S HN 1.462 nan 8.310 nan 0.000 0.484 633 G N 4.318 113.032 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 0.000 0.000 0.315 633 G C 0.436 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.716 45.737 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.345 121.054 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 0.000 0.000 0.209 634 Q C 0.012 175.898 176.000 -0.192 0.000 0.848 634 Q CA 0.668 56.362 55.803 -0.181 0.000 0.974 634 Q CB 0.843 29.492 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.810 115.262 114.554 -0.171 0.000 2.797 635 T HA 0.539 4.889 4.350 0.000 0.000 0.279 635 T C 0.082 174.686 174.700 -0.161 0.000 0.991 635 T CA -0.390 61.625 62.100 -0.142 0.000 0.979 635 T CB 1.578 70.394 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.403 122.901 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 0.000 0.000 0.292 636 I C 0.476 176.625 176.117 0.053 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.063 0.000 1.227 636 I CB 1.425 39.418 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.509 126.766 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 0.000 0.000 0.279 637 E C -1.545 175.161 176.600 0.177 0.000 0.965 637 E CA -0.587 55.880 56.400 0.112 0.000 0.789 637 E CB 1.608 31.354 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.639 123.632 119.914 0.132 0.000 2.555 638 V HA 0.419 4.539 4.120 0.000 0.000 0.302 638 V C -0.159 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.072 0.000 0.887 638 V CB 1.913 33.810 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.544 117.074 114.554 -0.040 0.000 2.861 639 T HA 0.385 4.735 4.350 0.000 0.000 0.287 639 T C -0.298 174.396 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.722 62.100 -0.015 0.000 0.977 639 T CB 1.689 70.529 68.868 -0.046 0.000 0.996 639 T HN 0.680 nan 8.240 nan 0.000 0.448 640 S N 1.553 117.254 115.700 0.002 0.000 2.457 640 S HA 0.241 4.711 4.470 0.000 0.000 0.289 640 S C 0.643 175.134 174.600 -0.182 0.000 1.163 640 S CA -0.585 57.560 58.200 -0.092 0.000 1.078 640 S CB 0.489 63.708 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.431 123.425 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 0.000 0.000 0.194 641 E C -0.860 175.592 176.600 -0.246 0.000 1.027 641 E CA -0.068 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.286 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.329 120.520 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 0.000 0.000 0.327 642 Y C 1.400 177.137 175.900 -0.272 0.000 1.172 642 Y CA -0.309 57.656 58.100 -0.225 0.000 1.280 642 Y CB 0.998 39.302 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.441 122.501 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.402 4.340 0.000 0.000 0.215 643 L C 0.666 177.077 176.870 -0.764 0.000 1.081 643 L CA 0.745 55.172 54.840 -0.689 0.000 0.840 643 L CB 0.051 41.291 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.400 119.557 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 0.000 0.000 0.305 644 F C 1.389 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.806 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.360 39.314 39.000 -0.076 0.000 1.027 644 F HN -0.107 nan 8.300 nan 0.000 0.607 645 R N -0.072 120.454 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 0.000 0.000 0.261 645 R C -1.117 175.185 176.300 0.003 0.000 1.051 645 R CA -0.664 55.410 56.100 -0.043 0.000 1.110 645 R CB 0.658 30.831 30.300 -0.211 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.416 118.625 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 0.000 0.000 0.338 646 H C -0.311 175.037 175.328 0.033 0.000 1.155 646 H CA -0.477 55.582 56.048 0.019 0.000 1.237 646 H CB 1.542 31.323 29.762 0.031 0.000 1.534 646 H HN 0.744 nan 8.280 nan 0.000 0.523 647 S N 2.299 117.808 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 0.000 0.000 0.180 647 S C 0.176 174.859 174.600 0.139 0.000 1.242 647 S CA 0.012 58.226 58.200 0.023 0.000 0.947 647 S CB -0.983 62.231 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.307 120.810 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 0.000 0.000 0.230 648 D C 0.423 176.783 176.300 0.101 0.000 1.094 648 D CA -0.199 53.902 54.000 0.168 0.000 0.856 648 D CB -0.232 40.658 40.800 0.151 0.000 0.915 648 D HN 0.466 nan 8.370 nan 0.000 0.517 649 N N 0.012 118.770 118.700 0.097 0.000 2.622 649 N HA 0.120 4.860 4.740 0.000 0.000 0.293 649 N C -1.546 174.018 175.510 0.091 0.000 1.788 649 N CA -0.233 52.864 53.050 0.078 0.000 0.860 649 N CB 0.299 38.822 38.487 0.059 0.000 1.388 649 N HN -0.053 nan 8.380 nan 0.000 0.496 650 E N 0.109 120.357 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 0.000 0.000 0.266 650 E C -1.522 175.096 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.920 31.620 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.537 124.771 121.223 0.017 0.000 2.341 651 L HA 0.545 4.885 4.340 0.000 0.000 0.278 651 L C -1.469 175.427 176.870 0.042 0.000 1.005 651 L CA -0.924 53.943 54.840 0.046 0.000 0.818 651 L CB 1.522 43.609 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.069 126.377 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 0.000 0.000 0.286 652 L C -0.704 176.373 176.870 0.345 0.000 1.024 652 L CA 0.039 54.993 54.840 0.191 0.000 0.826 652 L CB 0.446 42.624 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.806 124.924 119.070 0.080 0.000 2.467 653 H HA 0.384 4.940 4.556 0.000 0.000 0.326 653 H C -1.120 174.268 175.328 0.100 0.000 1.094 653 H CA -0.736 55.315 56.048 0.006 0.000 1.253 653 H CB 0.946 30.683 29.762 -0.042 0.000 1.439 653 H HN 0.704 nan 8.280 nan 0.000 0.479 654 W N 3.608 124.979 121.300 0.119 0.000 2.929 654 W HA 0.589 5.249 4.660 0.000 0.000 0.345 654 W C -1.482 175.072 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.622 31.128 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.199 121.170 119.600 0.618 0.000 2.569 655 M HA 0.539 5.019 4.480 0.000 0.000 0.287 655 M C -2.644 173.911 176.300 0.425 0.000 1.130 655 M CA -0.562 54.976 55.300 0.397 0.000 0.885 655 M CB 1.737 34.341 32.600 0.006 0.000 1.759 655 M HN 0.127 nan 8.290 nan 0.000 0.515 656 V N 2.347 122.491 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 0.000 0.000 0.299 656 V C -0.189 176.019 176.094 0.190 0.000 1.035 656 V CA 0.048 62.520 62.300 0.287 0.000 0.889 656 V CB 1.297 33.285 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.101 127.041 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 0.000 0.000 0.295 657 A C -1.733 175.977 177.584 0.210 0.000 1.072 657 A CA -0.584 51.543 52.037 0.150 0.000 0.691 657 A CB 1.779 20.820 19.000 0.069 0.000 1.291 657 A HN 0.773 nan 8.150 nan 0.000 0.404 658 L N 1.453 122.767 121.223 0.151 0.000 2.280 658 L HA 0.557 4.897 4.340 0.000 0.000 0.287 658 L C -0.392 176.578 176.870 0.166 0.000 1.023 658 L CA 0.246 55.189 54.840 0.171 0.000 0.819 658 L CB 0.331 42.455 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.740 125.305 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.184 177.512 176.300 0.046 0.000 1.161 659 D CA 1.587 55.731 54.000 0.240 0.000 0.653 659 D CB -1.008 39.903 40.800 0.185 0.000 1.052 659 D HN 1.171 nan 8.370 nan 0.000 0.424 660 G N -1.285 107.509 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.281 45.273 45.100 -0.180 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.207 122.586 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 0.000 0.000 0.277 661 K C -2.565 174.035 176.600 0.001 0.000 1.053 661 K CA -2.050 54.221 56.287 -0.027 0.000 0.892 661 K CB 1.819 34.315 32.500 -0.007 0.000 1.102 661 K HN 0.096 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.036 63.131 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.357 31.700 -0.049 0.000 0.848 663 L N 1.306 122.558 121.223 0.050 0.000 2.717 663 L HA 0.538 4.878 4.340 0.000 0.000 0.239 663 L C 0.800 177.714 176.870 0.074 0.000 1.086 663 L CA 0.112 54.986 54.840 0.058 0.000 0.897 663 L CB 0.326 42.433 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.084 122.797 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 0.000 0.000 0.296 664 A C -0.941 176.618 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.776 52.037 0.120 0.000 0.693 664 A CB 1.411 20.620 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.358 115.060 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 0.000 0.000 0.283 665 S C -0.071 173.507 174.600 -1.703 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.065 0.000 0.863 665 S CB 2.026 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.114 nan 8.310 nan 0.000 0.479 666 G N -0.195 107.250 108.800 -2.258 0.000 2.677 666 G HA2 0.624 4.584 3.960 0.000 0.000 0.291 666 G HA3 0.624 4.584 3.960 0.000 0.000 0.291 666 G C -2.159 172.205 174.900 -0.893 0.000 1.435 666 G CA -0.598 43.591 45.100 -1.519 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.539 119.489 120.200 -0.287 0.000 2.246 667 E HA 0.610 4.960 4.350 0.000 0.000 0.266 667 E C -1.356 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.592 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.729 125.766 119.914 0.205 0.000 2.668 668 V HA 0.432 4.552 4.120 0.000 0.000 0.304 668 V C -2.425 173.763 176.094 0.157 0.000 1.071 668 V CA -1.841 60.570 62.300 0.185 0.000 0.894 668 V CB 2.056 34.005 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.255 nan 4.420 nan 0.000 0.276 669 P C -0.675 176.682 177.300 0.094 0.000 1.235 669 P CA -0.036 63.124 63.100 0.101 0.000 0.772 669 P CB 0.857 32.612 31.700 0.092 0.000 0.871 670 L N 3.113 124.378 121.223 0.070 0.000 2.350 670 L HA 0.315 4.655 4.340 0.000 0.000 0.275 670 L C 0.509 177.427 176.870 0.080 0.000 1.099 670 L CA 0.231 55.100 54.840 0.050 0.000 0.808 670 L CB 0.575 42.611 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.256 122.707 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 0.000 0.000 0.255 671 D C -1.329 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.986 41.914 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.521 120.267 119.914 -0.281 0.000 2.638 672 V HA 0.898 5.018 4.120 0.000 0.000 0.306 672 V C 0.518 176.373 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.774 62.300 -0.179 0.000 0.885 672 V CB 1.423 33.267 31.823 0.035 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.603 128.398 122.820 -0.043 0.000 2.371 673 A HA 0.770 5.090 4.320 0.000 0.000 0.257 673 A C -2.294 175.319 177.584 0.049 0.000 1.089 673 A CA -1.535 50.565 52.037 0.105 0.000 0.794 673 A CB -0.164 18.941 19.000 0.175 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.395 176.904 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.837 63.100 0.028 0.000 0.759 674 P CB 0.139 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.239 118.544 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.378 57.158 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.260 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.289 109.097 108.800 0.015 0.000 2.552 676 G HA2 0.614 4.574 3.960 0.000 0.000 0.318 676 G HA3 0.614 4.574 3.960 0.000 0.000 0.318 676 G C -0.624 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.462 119.963 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 0.000 0.000 0.249 677 K C -0.833 175.802 176.600 0.060 0.000 0.942 677 K CA -0.548 55.768 56.287 0.047 0.000 0.816 677 K CB 2.379 34.901 32.500 0.036 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.329 123.171 119.800 0.069 0.000 2.323 678 Q HA 0.376 4.716 4.340 0.000 0.000 0.271 678 Q C -1.558 174.486 176.000 0.073 0.000 1.048 678 Q CA -0.675 55.172 55.803 0.074 0.000 0.792 678 Q CB 1.374 30.162 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.096 126.353 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 0.000 0.000 0.285 679 L C -0.450 176.444 176.870 0.040 0.000 1.049 679 L CA -0.679 54.187 54.840 0.044 0.000 0.804 679 L CB 1.200 43.274 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.068 123.654 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 0.000 0.000 0.286 680 I C -0.288 175.801 176.117 -0.045 0.000 1.009 680 I CA -0.739 60.568 61.300 0.012 0.000 1.111 680 I CB 2.031 40.058 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.598 126.774 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 0.000 0.000 0.282 681 E C -0.643 175.887 176.600 -0.116 0.000 1.046 681 E CA -0.304 56.054 56.400 -0.069 0.000 0.857 681 E CB 1.368 31.045 29.700 -0.038 0.000 1.055 681 E HN 0.469 nan 8.360 nan 0.000 0.409 682 L N 6.161 127.278 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.668 4.340 0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.903 52.775 54.840 -0.270 0.000 0.805 682 L CB 1.222 43.042 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.405 176.840 177.300 -0.091 0.000 1.223 683 P CA -0.320 62.739 63.100 -0.069 0.000 0.785 683 P CB 0.505 32.213 31.700 0.014 0.000 0.923 684 E N 0.998 121.170 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 4.350 0.000 0.000 0.259 684 E C -0.199 176.378 176.600 -0.038 0.000 0.966 684 E CA 0.286 56.659 56.400 -0.045 0.000 0.937 684 E CB 0.173 29.859 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.071 127.260 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 4.340 0.000 0.000 0.273 685 L C -1.941 174.924 176.870 -0.008 0.000 1.080 685 L CA -2.149 52.667 54.840 -0.039 0.000 0.803 685 L CB 0.629 42.644 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.114 nan 4.420 nan 0.000 0.271 686 P C -1.087 176.223 177.300 0.017 0.000 1.216 686 P CA -0.315 62.801 63.100 0.027 0.000 0.776 686 P CB 0.652 32.382 31.700 0.050 0.000 0.881 687 Q N 2.327 122.135 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 0.000 0.000 0.288 687 Q C -2.129 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.598 54.210 55.803 0.008 0.000 0.849 687 Q CB 0.100 28.837 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.049 177.361 177.300 0.019 0.000 1.195 688 P CA 0.147 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.990 31.700 0.034 0.000 0.837 689 E N 0.199 120.411 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 0.000 0.000 0.191 689 E C 0.540 177.153 176.600 0.022 0.000 0.962 689 E CA 0.495 56.905 56.400 0.018 0.000 0.826 689 E CB -0.593 29.117 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.530 117.246 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.178 58.397 58.200 0.032 0.000 1.037 690 S CB 0.440 63.661 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.395 124.240 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 0.000 0.000 0.269 691 A C 0.865 178.485 177.584 0.061 0.000 1.094 691 A CA 0.208 52.272 52.037 0.045 0.000 0.807 691 A CB 0.003 19.031 19.000 0.047 0.000 1.047 691 A HN 1.864 nan 8.150 nan 0.000 0.487 692 G N -0.245 108.593 108.800 0.064 0.000 2.369 692 G HA2 0.320 4.280 3.960 0.000 0.000 0.295 692 G HA3 0.320 4.280 3.960 0.000 0.000 0.295 692 G C -1.280 173.667 174.900 0.077 0.000 1.298 692 G CA -0.891 44.265 45.100 0.093 0.000 0.940 692 G HN 0.849 nan 8.290 nan 0.000 0.536 693 Q N -0.609 119.270 119.800 0.130 0.000 2.290 693 Q HA 0.595 4.935 4.340 0.000 0.000 0.259 693 Q C -0.668 175.418 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.089 30.902 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.027 125.223 121.223 -0.045 0.000 2.264 694 L HA 0.478 4.818 4.340 0.000 0.000 0.289 694 L C -1.784 175.061 176.870 -0.043 0.000 1.044 694 L CA 0.051 54.917 54.840 0.044 0.000 0.807 694 L CB 0.414 42.471 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.413 126.779 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 0.000 0.000 0.337 695 W C -1.062 175.562 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.683 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.918 124.440 121.223 0.500 0.000 2.295 696 L HA 0.811 5.151 4.340 0.000 0.000 0.285 696 L C -0.376 176.799 176.870 0.508 0.000 1.035 696 L CA 0.098 55.200 54.840 0.437 0.000 0.806 696 L CB 1.340 43.601 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.840 119.637 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 0.000 0.000 0.290 697 T C -0.860 174.021 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.610 70.600 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.545 121.593 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 0.000 0.000 0.310 698 V C -0.626 175.522 176.094 0.091 0.000 1.054 698 V CA -1.074 61.316 62.300 0.150 0.000 0.928 698 V CB 1.926 33.753 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.900 122.476 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 0.000 0.000 0.274 699 R C -1.714 174.647 176.300 0.101 0.000 0.987 699 R CA -0.652 55.531 56.100 0.138 0.000 0.908 699 R CB 2.717 33.066 30.300 0.082 0.000 1.213 699 R HN 0.725 nan 8.270 nan 0.000 0.468 700 V N 3.127 123.121 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 0.000 0.000 0.295 700 V C -0.612 175.493 176.094 0.019 0.000 1.025 700 V CA -0.680 61.665 62.300 0.075 0.000 0.859 700 V CB 1.732 33.619 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.227 124.096 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 0.000 0.000 0.312 701 V C -0.427 175.666 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.996 33.669 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.883 123.715 119.800 0.052 0.000 2.465 702 Q HA 0.278 4.618 4.340 0.000 0.000 0.237 702 Q C -1.837 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.812 30.623 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.532 176.769 177.300 0.002 0.000 1.163 703 P CA 1.403 64.512 63.100 0.015 0.000 0.889 703 P CB 0.264 31.980 31.700 0.027 0.000 0.790 704 N N -0.772 117.924 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 0.000 0.000 0.291 704 N C -0.223 175.244 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.804 39.279 38.487 -0.021 0.000 1.164 704 N HN 0.020 nan 8.380 nan 0.000 0.480 705 A N 0.740 123.508 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 0.000 0.000 0.255 705 A C 0.578 178.039 177.584 -0.206 0.000 1.099 705 A CA -0.102 51.841 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.870 110.471 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 0.000 0.000 0.287 706 T C 0.875 175.383 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.102 69.488 68.868 -0.804 0.000 1.264 706 T HN 1.428 nan 8.240 nan 0.000 0.532 707 A N -0.050 122.683 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 0.000 0.000 0.218 707 A C 1.558 179.254 177.584 0.186 0.000 1.154 707 A CA 1.106 53.197 52.037 0.089 0.000 0.679 707 A CB -0.866 18.282 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.952 120.395 121.300 0.079 0.000 2.714 708 W HA 0.431 5.091 4.660 0.000 0.000 0.353 708 W C -0.174 176.306 176.519 -0.065 0.000 0.999 708 W CA 0.439 57.792 57.345 0.013 0.000 1.629 708 W CB -1.131 28.324 29.460 -0.007 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.234 115.448 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 0.000 0.000 0.271 709 S C -0.499 173.835 174.600 -0.444 0.000 1.133 709 S CA -0.631 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.769 65.123 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.883 120.936 120.200 -0.245 0.000 2.369 710 E HA 0.516 4.866 4.350 0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.369 55.962 56.400 -0.114 0.000 0.932 710 E CB 0.943 30.627 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.339 122.453 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 0.000 0.000 0.257 711 A C 0.991 178.583 177.584 0.014 0.000 1.087 711 A CA 0.455 52.478 52.037 -0.024 0.000 0.798 711 A CB 0.019 19.007 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.010 108.824 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 712 G C 0.103 175.037 174.900 0.058 0.000 1.005 712 G CA 0.740 45.853 45.100 0.023 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.170 119.229 119.070 -0.017 0.000 2.732 713 H HA 0.514 5.070 4.556 0.000 0.000 0.351 713 H C 0.459 175.829 175.328 0.070 0.000 1.090 713 H CA -0.632 55.431 56.048 0.026 0.000 1.431 713 H CB 0.341 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.740 125.031 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 0.000 0.000 0.291 714 I C 1.162 177.104 176.117 -0.292 0.000 1.019 714 I CA 0.066 61.211 61.300 -0.258 0.000 1.302 714 I CB 0.627 38.552 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.047 119.790 115.700 0.071 0.000 2.505 715 S HA 0.631 5.101 4.470 0.000 0.000 0.216 715 S C 0.560 175.399 174.600 0.399 0.000 1.018 715 S CA 0.168 58.548 58.200 0.300 0.000 0.911 715 S CB 0.616 64.113 63.200 0.494 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.498 123.584 122.820 0.442 0.000 2.605 716 A HA 0.652 4.972 4.320 0.000 0.000 0.294 716 A C -1.759 176.161 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.397 19.688 19.000 0.486 0.000 1.278 716 A HN 0.896 nan 8.150 nan 0.000 0.410 717 W N 0.107 121.559 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 0.000 0.000 0.343 717 W C -1.133 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.224 30.671 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.663 121.484 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.367 0.000 0.975 718 Q CA -0.595 55.061 55.803 -0.245 0.000 0.876 718 Q CB 2.179 30.636 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.945 122.483 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 0.000 0.000 0.283 719 Q C -1.372 174.516 176.000 -0.186 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.167 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.504 123.000 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 0.000 0.000 0.336 720 W C -0.521 176.052 176.519 0.090 0.000 1.173 720 W CA -0.829 56.644 57.345 0.213 0.000 1.185 720 W CB 2.169 31.683 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.365 122.815 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 0.000 0.000 0.339 721 R C 0.738 176.830 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.757 0.000 0.864 721 R CB 0.594 30.069 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.725 123.794 121.223 -0.257 0.000 2.049 722 L HA 0.196 4.536 4.340 0.000 0.000 0.203 722 L C 0.939 177.712 176.870 -0.162 0.000 1.074 722 L CA 1.031 55.784 54.840 -0.145 0.000 0.749 722 L CB -0.199 41.816 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.825 121.882 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 0.000 0.000 0.291 723 A C -1.443 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.921 20.872 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.138 120.280 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 0.000 0.000 0.277 724 E C -1.813 174.770 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.376 31.032 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.425 123.121 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 0.000 0.000 0.248 725 N C -0.650 174.871 175.510 0.018 0.000 0.986 725 N CA -0.332 52.722 53.050 0.007 0.000 0.921 725 N CB 1.071 39.567 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.814 122.046 121.223 0.015 0.000 2.490 726 L HA 0.068 4.408 4.340 0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.290 55.145 54.840 0.025 0.000 0.869 726 L CB 0.508 42.580 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.052 117.776 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 0.000 0.000 0.282 727 S C 0.518 175.140 174.600 0.037 0.000 1.170 727 S CA -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.723 63.953 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.791 122.724 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 0.000 0.000 0.342 728 V C 0.775 176.887 176.094 0.029 0.000 1.379 728 V CA -0.080 62.237 62.300 0.028 0.000 1.191 728 V CB -1.149 30.688 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.189 114.384 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 0.000 0.000 0.280 729 T C -0.535 174.184 174.700 0.032 0.000 0.992 729 T CA -0.594 61.525 62.100 0.030 0.000 1.015 729 T CB 1.986 70.872 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.737 122.977 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 0.000 0.000 0.276 730 L C -2.059 174.828 176.870 0.028 0.000 1.014 730 L CA -2.115 52.742 54.840 0.029 0.000 0.815 730 L CB 0.649 42.723 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.270 nan 4.420 nan 0.000 0.267 731 P C -0.475 176.837 177.300 0.020 0.000 1.209 731 P CA -0.337 62.778 63.100 0.024 0.000 0.763 731 P CB 0.858 32.572 31.700 0.025 0.000 0.816 732 A N 3.306 126.136 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 0.000 0.000 0.243 732 A C 0.711 178.302 177.584 0.012 0.000 1.082 732 A CA -0.050 51.998 52.037 0.019 0.000 0.786 732 A CB -0.259 18.753 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.079 123.918 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 0.000 0.000 0.238 733 A C 0.761 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.457 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.689 19.000 0.087 0.000 1.015 733 A HN 1.545 nan 8.150 nan 0.000 0.498 734 S N 0.152 115.845 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.985 4.470 0.000 0.000 0.297 734 S C 0.062 174.686 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.904 64.072 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.241 119.320 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 0.000 0.000 0.267 735 H C 0.653 175.988 175.328 0.012 0.000 0.982 735 H CA 0.444 56.499 56.048 0.012 0.000 1.146 735 H CB -0.296 29.472 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.584 123.464 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 0.000 0.000 0.292 736 A C -1.133 176.480 177.584 0.048 0.000 1.139 736 A CA -0.715 51.364 52.037 0.069 0.000 0.665 736 A CB 1.339 20.379 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.630 118.968 120.570 0.046 0.000 2.802 737 I HA 0.744 4.914 4.170 0.000 0.000 0.298 737 I C -2.908 173.249 176.117 0.067 0.000 1.176 737 I CA -2.547 58.778 61.300 0.042 0.000 1.025 737 I CB 2.452 40.467 38.000 0.026 0.000 1.243 737 I HN 0.403 nan 8.210 nan 0.000 0.424 738 P HA -0.028 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.086 177.300 0.154 0.000 1.195 738 P CA 0.478 63.637 63.100 0.098 0.000 0.773 738 P CB 0.148 31.860 31.700 0.019 0.000 0.837 739 H N 2.034 121.133 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 0.000 0.000 0.325 739 H C -0.750 174.603 175.328 0.042 0.000 1.012 739 H CA -1.143 54.925 56.048 0.034 0.000 1.213 739 H CB 0.861 30.645 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.444 125.627 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.396 55.140 54.840 -0.161 0.000 0.813 740 L CB 1.394 43.399 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.548 117.020 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 4.350 0.000 0.000 0.329 741 T C -0.397 174.358 174.700 0.091 0.000 0.960 741 T CA -0.555 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.866 69.649 68.868 -0.141 0.000 1.065 741 T HN 0.724 nan 8.240 nan 0.000 0.459 742 T N 2.480 117.115 114.554 0.135 0.000 2.816 742 T HA 0.774 5.124 4.350 0.000 0.000 0.282 742 T C 0.391 175.164 174.700 0.121 0.000 0.993 742 T CA -0.520 61.727 62.100 0.245 0.000 0.994 742 T CB 1.297 70.324 68.868 0.266 0.000 1.025 742 T HN 0.713 nan 8.240 nan 0.000 0.529 743 S N -1.064 114.680 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 0.000 0.000 0.273 743 S C 0.423 174.997 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.181 64.383 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.200 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 0.000 0.000 0.190 744 E C 1.426 177.959 176.600 -0.112 0.000 0.979 744 E CA 0.942 57.303 56.400 -0.066 0.000 0.814 744 E CB -0.068 29.609 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.913 120.457 119.600 -0.092 0.000 2.476 745 M HA 0.100 4.580 4.480 0.000 0.000 0.262 745 M C -0.128 176.085 176.300 -0.144 0.000 1.111 745 M CA 0.808 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.589 31.989 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.933 118.357 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 0.000 0.000 0.343 746 D C -0.977 175.202 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.629 41.422 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.583 124.918 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 0.000 0.000 0.268 750 E C -1.774 174.988 176.600 0.270 0.000 0.885 750 E CA -0.834 55.701 56.400 0.225 0.000 0.767 750 E CB 2.791 32.546 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.139 125.512 121.223 0.251 0.000 2.811 751 L HA 0.460 4.800 4.340 0.000 0.000 0.251 751 L C -0.107 176.835 176.870 0.121 0.000 0.971 751 L CA 0.769 55.738 54.840 0.214 0.000 0.990 751 L CB 0.960 43.206 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.661 112.504 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.968 119.648 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 0.000 0.000 0.181 753 N C 0.796 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.430 54.443 53.050 -0.063 0.000 0.904 753 N CB -0.121 38.331 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.360 120.677 120.400 -0.138 0.000 2.298 754 K HA 0.327 4.647 4.320 0.000 0.000 0.280 754 K C -0.195 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.177 55.904 56.287 -0.344 0.000 0.958 754 K CB 1.142 33.370 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.855 122.039 120.500 -0.527 0.000 2.626 755 R HA 0.367 4.707 4.340 0.000 0.000 0.274 755 R C -1.655 174.517 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.224 124.623 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 0.000 0.000 0.335 756 W C -0.716 175.882 176.519 0.133 0.000 1.083 756 W CA -0.562 56.838 57.345 0.091 0.000 1.233 756 W CB 2.239 31.727 29.460 0.046 0.000 1.412 756 W HN 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.482 122.421 119.800 0.232 0.000 2.356 757 Q HA 0.521 4.861 4.340 0.000 0.000 0.270 757 Q C -2.093 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.508 55.421 55.803 0.210 0.000 0.802 757 Q CB 1.907 30.831 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.765 122.804 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 0.000 0.000 0.355 758 F C 0.525 176.341 175.800 0.027 0.000 1.123 758 F CA -0.870 57.183 58.000 0.088 0.000 1.021 758 F CB 1.439 40.504 39.000 0.108 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.642 122.435 118.700 0.156 0.000 2.475 759 N HA 0.052 4.792 4.740 0.000 0.000 0.267 759 N C 0.881 176.389 175.510 -0.002 0.000 1.169 759 N CA 0.077 53.166 53.050 0.064 0.000 0.947 759 N CB 0.750 39.285 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.370 122.792 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 0.000 0.000 0.203 760 R C 1.127 177.350 176.300 -0.127 0.000 1.017 760 R CA 0.999 56.967 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.399 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.660 119.099 119.800 -0.068 0.000 2.204 761 Q HA -0.008 4.332 4.340 0.000 0.000 0.198 761 Q C 2.080 178.060 176.000 -0.034 0.000 0.946 761 Q CA 1.521 57.296 55.803 -0.048 0.000 0.859 761 Q CB 0.348 29.076 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.408 114.297 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 0.000 0.000 0.223 762 S C 1.619 176.115 174.600 -0.173 0.000 1.019 762 S CA 0.506 58.733 58.200 0.045 0.000 0.937 762 S CB 0.132 63.484 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.382 109.102 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 763 G C -0.097 174.665 174.900 -0.230 0.000 0.981 763 G CA 0.372 45.368 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.310 118.820 119.950 0.298 0.000 2.541 764 F HA 0.683 5.210 4.527 0.000 0.000 0.331 764 F C 0.512 176.372 175.800 0.099 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.316 40.413 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.537 122.854 121.223 0.158 0.000 2.485 765 L HA 0.221 4.561 4.340 0.000 0.000 0.279 765 L C 0.584 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.665 55.214 54.840 -0.485 0.000 0.888 765 L CB 0.118 41.870 42.059 -0.512 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.675 118.287 115.700 -0.145 0.000 2.425 766 S HA 0.107 4.577 4.470 0.000 0.000 0.225 766 S C 0.456 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.428 58.589 58.200 -0.065 0.000 0.951 766 S CB -0.042 63.158 63.200 0.001 0.000 0.796 766 S HN 0.737 nan 8.310 nan 0.000 0.498 767 Q N -0.247 119.407 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 0.000 0.000 0.289 767 Q C -1.648 174.043 176.000 -0.516 0.000 0.940 767 Q CA -0.640 54.894 55.803 -0.448 0.000 0.785 767 Q CB 1.409 29.761 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.072 119.221 119.600 -0.751 0.000 2.465 768 M HA 0.771 5.251 4.480 0.000 0.000 0.284 768 M C -1.953 173.935 176.300 -0.687 0.000 1.212 768 M CA -0.329 54.621 55.300 -0.583 0.000 0.910 768 M CB 1.962 34.241 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.040 124.111 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 0.000 0.000 0.343 769 W C -1.535 174.780 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 31.385 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.417 122.990 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 0.000 0.000 0.281 770 I C 0.727 176.837 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.075 0.000 1.111 770 I CB 1.132 39.058 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.583 114.369 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.665 3.960 0.000 0.000 0.274 771 G HA3 -0.295 3.665 3.960 0.000 0.000 0.274 771 G C 0.292 175.212 174.900 0.032 0.000 1.159 771 G CA 0.475 45.566 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.948 121.380 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 0.000 0.000 0.214 772 D C 0.612 177.046 176.300 0.222 0.000 1.093 772 D CA 0.214 54.278 54.000 0.107 0.000 0.837 772 D CB 0.246 41.067 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.025 121.525 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 0.000 0.000 0.277 773 K C -0.006 176.564 176.600 -0.050 0.000 1.038 773 K CA -0.469 55.856 56.287 0.064 0.000 0.888 773 K CB 1.712 34.208 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.911 122.191 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 0.000 0.000 0.270 774 K C 0.767 177.151 176.600 -0.360 0.000 1.011 774 K CA -0.186 55.757 56.287 -0.573 0.000 0.953 774 K CB 0.689 32.909 32.500 -0.467 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.047 120.604 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 0.000 0.000 0.235 775 Q C -0.125 175.782 176.000 -0.155 0.000 0.863 775 Q CA 0.429 56.118 55.803 -0.190 0.000 0.939 775 Q CB 0.514 29.191 28.738 -0.103 0.000 1.108 775 Q HN 0.469 nan 8.270 nan 0.000 0.522 776 L N 0.354 121.434 121.223 -0.239 0.000 2.362 776 L HA 0.411 4.751 4.340 0.000 0.000 0.271 776 L C 0.727 177.471 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.189 0.000 0.818 776 L CB 1.664 43.620 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.066 121.157 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 0.000 0.000 0.220 777 L C 0.579 177.336 176.870 -0.188 0.000 1.106 777 L CA 0.742 55.456 54.840 -0.209 0.000 0.851 777 L CB 0.272 42.184 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.259 114.173 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.770 4.350 0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.091 0.000 1.119 778 T CA -1.278 60.743 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.090 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.267 nan 4.420 nan 0.000 0.272 779 P C -0.762 176.510 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.345 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.011 0.000 0.923 780 L N 3.914 125.145 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 0.000 0.000 0.279 780 L C 0.543 177.360 176.870 -0.090 0.000 1.108 780 L CA 0.460 55.333 54.840 0.054 0.000 0.852 780 L CB -0.782 41.418 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.957 122.352 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 0.000 0.000 0.270 781 R C -1.085 175.094 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.369 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.897 121.206 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 0.000 0.000 0.238 782 D C -0.638 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.554 54.335 54.000 -0.366 0.000 0.884 782 D CB 0.703 41.295 40.800 -0.348 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.639 120.851 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.650 4.340 0.000 0.000 0.270 783 Q C -1.210 174.056 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.869 0.000 0.812 783 Q CB 0.850 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.574 120.195 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 0.000 0.000 0.313 784 F C 0.882 176.302 175.800 -0.633 0.000 1.096 784 F CA -0.079 57.505 58.000 -0.695 0.000 1.219 784 F CB 1.510 39.895 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.796 113.504 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 0.000 0.000 0.284 785 T C -0.489 173.973 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.585 71.072 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.539 119.754 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 0.000 0.000 0.272 786 R C -1.162 175.182 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.386 126.239 122.820 0.054 0.000 2.444 787 A HA 0.325 4.645 4.320 0.000 0.000 0.287 787 A C -2.029 175.613 177.584 0.097 0.000 1.195 787 A CA -1.555 50.517 52.037 0.059 0.000 0.858 787 A CB -0.469 18.517 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.051 nan 4.420 nan 0.000 0.261 788 P C -0.209 177.193 177.300 0.170 0.000 1.158 788 P CA 0.767 64.017 63.100 0.251 0.000 0.758 788 P CB 0.224 32.098 31.700 0.289 0.000 0.763 789 L N 2.469 123.767 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 0.000 0.000 0.256 789 L C 1.856 178.740 176.870 0.024 0.000 1.136 789 L CA -0.586 54.266 54.840 0.019 0.000 0.804 789 L CB 0.071 42.076 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.439 120.794 120.400 -0.075 0.000 2.116 790 D HA -0.171 4.469 4.640 0.000 0.000 0.193 790 D C 1.631 177.866 176.300 -0.108 0.000 0.998 790 D CA 1.502 55.392 54.000 -0.183 0.000 0.836 790 D CB 0.044 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.134 119.784 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 0.000 0.000 0.186 791 N C 1.193 176.724 175.510 0.036 0.000 1.015 791 N CA 0.782 53.815 53.050 -0.029 0.000 0.862 791 N CB -0.297 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.175 120.611 120.400 0.060 0.000 2.264 792 D HA 0.013 4.653 4.640 0.000 0.000 0.208 792 D C 1.893 178.261 176.300 0.114 0.000 0.966 792 D CA 0.431 54.509 54.000 0.131 0.000 0.864 792 D CB 0.151 41.106 40.800 0.257 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.417 120.200 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 0.000 0.000 0.256 793 I C 1.893 178.045 176.117 0.058 0.000 1.115 793 I CA 0.604 61.940 61.300 0.059 0.000 1.446 793 I CB -0.148 37.865 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.423 110.269 108.800 0.077 0.000 2.565 794 G HA2 -0.353 3.608 3.960 0.000 0.000 0.295 794 G HA3 -0.353 3.608 3.960 0.000 0.000 0.295 794 G C 0.690 175.757 174.900 0.279 0.000 1.165 794 G CA 0.936 46.145 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.212 117.805 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 0.000 0.000 0.330 795 V C 0.952 177.068 176.094 0.037 0.000 1.403 795 V CA 1.026 63.386 62.300 0.099 0.000 1.143 795 V CB 0.331 32.117 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.320 117.046 115.700 0.042 0.000 2.533 796 S HA 0.361 4.831 4.470 0.000 0.000 0.282 796 S C -0.149 174.467 174.600 0.026 0.000 1.304 796 S CA 0.191 58.402 58.200 0.018 0.000 1.063 796 S CB 0.467 63.675 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.856 122.064 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 0.000 0.000 0.270 797 E C 0.639 177.251 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.460 124.299 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.791 54.846 52.037 0.031 0.000 0.638 798 A CB -1.234 17.790 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.331 112.235 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 0.000 0.000 0.263 799 T C 1.187 175.888 174.700 0.000 0.000 1.040 799 T CA 1.294 63.401 62.100 0.011 0.000 1.147 799 T CB -0.124 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.549 121.045 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 0.000 0.000 0.290 800 R C -1.118 175.172 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.204 30.485 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.851 122.414 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 0.000 0.000 0.284 801 I C 0.239 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.529 61.823 61.300 -0.011 0.000 1.417 801 I CB 0.805 38.801 38.000 -0.006 0.000 1.396 801 I HN 0.397 nan 8.210 nan 0.000 0.571 802 D N 8.675 129.058 120.400 -0.029 0.000 2.477 802 D HA 0.280 4.920 4.640 0.000 0.000 0.239 802 D C -1.694 174.565 176.300 -0.069 0.000 1.102 802 D CA -2.371 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.147 41.924 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.040 64.083 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.938 31.700 -0.081 0.000 0.771 804 N N -0.549 118.051 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 0.000 0.000 0.181 804 N C 0.843 176.147 175.510 -0.345 0.000 1.082 804 N CA 0.092 52.988 53.050 -0.257 0.000 0.885 804 N CB -0.066 38.284 38.487 -0.227 0.000 0.977 804 N HN 0.096 nan 8.380 nan 0.000 0.462 805 A N 0.670 123.350 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 0.000 0.000 0.239 805 A C 0.764 178.142 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.012 18.939 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.924 122.961 121.300 -0.439 0.000 2.302 806 W HA -0.225 4.435 4.660 0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.939 58.738 57.345 -0.911 0.000 1.264 806 W CB -0.480 28.290 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.776 120.610 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 0.000 0.000 0.250 807 V C 2.288 178.488 176.094 0.177 0.000 1.060 807 V CA 2.284 64.733 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N 0.164 120.368 120.200 0.008 0.000 2.051 808 E HA -0.193 4.157 4.350 0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.510 57.904 56.400 -0.009 0.000 0.799 808 E CB -0.394 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.395 120.007 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 0.000 0.000 0.232 809 R C 2.315 178.571 176.300 -0.074 0.000 1.126 809 R CA 1.066 57.051 56.100 -0.192 0.000 0.963 809 R CB -0.432 29.637 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.122 123.380 121.300 -0.070 0.000 2.358 810 W HA -0.056 4.604 4.660 0.000 0.000 0.303 810 W C 2.071 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.476 57.682 57.345 -0.232 0.000 1.274 810 W CB -0.591 28.869 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.095 120.532 120.400 0.378 0.000 1.985 811 K HA -0.125 4.196 4.320 0.000 0.000 0.210 811 K C 2.203 178.884 176.600 0.134 0.000 1.047 811 K CA 1.750 58.224 56.287 0.312 0.000 0.932 811 K CB -0.690 31.941 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.282 124.148 122.820 0.076 0.000 1.978 812 A HA -0.147 4.173 4.320 0.000 0.000 0.220 812 A C 2.215 179.804 177.584 0.008 0.000 1.170 812 A CA 1.952 54.011 52.037 0.038 0.000 0.636 812 A CB -0.529 18.477 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.066 120.737 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 0.000 0.000 0.216 813 A C 1.933 179.427 177.584 -0.149 0.000 1.152 813 A CA 1.342 53.358 52.037 -0.035 0.000 0.708 813 A CB -0.813 18.144 19.000 -0.071 0.000 0.805 813 A HN 1.913 nan 8.150 nan 0.000 0.460 814 G N -1.864 106.799 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 0.000 0.000 0.242 814 G C 0.623 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.437 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.238 117.782 119.070 -0.082 0.000 2.353 815 H HA -0.133 4.423 4.556 0.000 0.000 0.298 815 H C 2.192 177.478 175.328 -0.070 0.000 1.103 815 H CA 1.673 57.679 56.048 -0.069 0.000 1.293 815 H CB 0.033 29.692 29.762 -0.171 0.000 1.372 815 H HN 0.596 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.215 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 0.000 0.000 0.294 816 Y C 1.645 177.624 175.900 0.131 0.000 1.141 816 Y CA 0.803 58.981 58.100 0.129 0.000 1.308 816 Y CB 0.322 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.978 118.978 119.800 0.260 0.000 2.063 817 Q HA 0.474 4.814 4.340 0.000 0.000 0.245 817 Q C -0.269 175.906 176.000 0.291 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.309 29.191 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.103 124.104 122.820 0.301 0.000 2.351 818 A HA 0.385 4.705 4.320 0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.179 52.075 52.037 0.362 0.000 0.798 818 A CB 0.521 19.723 19.000 0.335 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.614 120.997 120.200 0.305 0.000 2.133 819 E HA 0.481 4.831 4.350 0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.711 31.480 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.366 125.048 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 0.000 0.000 0.248 820 A C -0.230 177.182 177.584 -0.287 0.000 1.082 820 A CA -0.062 51.533 52.037 -0.736 0.000 0.785 820 A CB 0.530 19.101 19.000 -0.715 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.071 124.717 122.820 -0.290 0.000 2.375 821 A HA 0.553 4.873 4.320 0.000 0.000 0.295 821 A C -0.696 176.782 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.724 19.666 19.000 -0.097 0.000 1.206 821 A HN 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.341 124.440 121.223 -0.206 0.000 2.462 822 L HA 0.206 4.546 4.340 0.000 0.000 0.272 822 L C 0.626 177.349 176.870 -0.246 0.000 1.166 822 L CA 0.070 54.679 54.840 -0.386 0.000 0.880 822 L CB 0.140 42.001 42.059 -0.329 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.640 124.710 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 0.000 0.000 0.215 823 L C 0.448 177.250 176.870 -0.113 0.000 1.065 823 L CA 0.190 54.954 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.223 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.582 119.121 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.286 30.999 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.780 122.060 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 0.000 0.000 0.369 825 C C -1.063 173.996 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.030 0.000 1.260 825 C CB 0.816 28.565 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.824 117.416 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 0.000 0.000 0.297 826 T C -0.536 174.034 174.700 -0.217 0.000 1.108 826 T CA -0.018 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.683 68.868 -0.026 0.000 1.159 826 T HN 2.019 nan 8.240 nan 0.000 0.499 827 A N 1.609 124.170 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 0.000 0.000 0.310 827 A C -1.206 176.163 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.436 19.672 19.000 -1.273 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.200 120.434 120.400 -0.276 0.000 2.736 828 D HA 0.427 5.067 4.640 0.000 0.000 0.223 828 D C -1.310 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.013 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.410 43.140 40.800 -0.117 0.000 1.587 828 D HN 0.411 nan 8.370 nan 0.000 0.463 829 T N 1.850 116.348 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 0.000 0.000 0.285 829 T C 0.112 174.786 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.892 69.738 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.702 122.901 121.223 -0.041 0.000 2.376 830 L HA 0.667 5.007 4.340 0.000 0.000 0.267 830 L C 1.752 178.611 176.870 -0.017 0.000 1.035 830 L CA -0.482 54.341 54.840 -0.028 0.000 0.800 830 L CB 0.129 42.170 42.059 -0.029 0.000 1.290 830 L HN 0.693 nan 8.230 nan 0.000 0.462 831 A N -0.277 122.537 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 0.000 0.000 0.219 831 A C 0.863 178.447 177.584 -0.001 0.000 1.164 831 A CA 1.945 53.980 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.575 117.822 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 0.000 0.000 0.217 832 D C 0.262 176.556 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.461 41.263 40.800 0.003 0.000 1.039 832 D HN 0.493 nan 8.370 nan 0.000 0.512 833 A N -0.429 122.378 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 0.000 0.000 0.301 833 A C -1.774 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.766 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.738 19.710 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.274 120.135 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 0.000 0.000 0.303 834 V C -0.922 175.092 176.094 -0.134 0.000 1.041 834 V CA -0.482 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.370 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.699 126.834 121.223 -0.146 0.000 2.356 835 L HA 0.680 5.021 4.340 0.000 0.000 0.277 835 L C -0.969 175.787 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.454 123.920 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 0.000 0.000 0.294 836 I C 0.145 176.250 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.746 61.300 -0.229 0.000 1.113 836 I CB 1.785 39.457 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.931 116.471 114.554 -0.023 0.000 2.886 837 T HA 0.850 5.200 4.350 0.000 0.000 0.292 837 T C -0.364 174.389 174.700 0.089 0.000 1.012 837 T CA -0.463 61.676 62.100 0.064 0.000 0.982 837 T CB 2.043 70.928 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.451 114.197 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 0.000 0.000 0.292 838 T C -0.750 174.033 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.135 0.000 1.009 838 T CB 1.648 70.697 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.317 124.151 122.820 0.024 0.000 2.480 839 A HA 0.711 5.031 4.320 0.000 0.000 0.289 839 A C -1.485 176.058 177.584 -0.069 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.669 19.698 19.000 0.049 0.000 1.289 839 A HN 0.978 nan 8.150 nan 0.000 0.401 840 H N 0.257 119.387 119.070 0.099 0.000 2.834 840 H HA 0.878 5.434 4.556 0.000 0.000 0.369 840 H C -0.001 175.344 175.328 0.029 0.000 1.174 840 H CA 0.109 56.125 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.709 29.762 -0.263 0.000 1.820 840 H HN 1.059 nan 8.280 nan 0.000 0.558 841 A N 1.028 123.840 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 0.000 0.000 0.301 841 A C -1.500 176.093 177.584 0.015 0.000 1.041 841 A CA -0.730 51.388 52.037 0.134 0.000 0.711 841 A CB 1.178 20.234 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.092 123.475 121.300 0.138 0.000 2.361 842 W HA 0.451 5.111 4.660 0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.173 57.225 57.345 0.089 0.000 1.208 842 W CB 1.589 31.126 29.460 0.128 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.383 121.287 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 0.000 0.000 0.286 843 Q C -0.925 175.189 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.515 32.290 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.037 120.123 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 0.000 0.000 0.331 844 H C -1.072 174.278 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.047 0.000 1.430 844 H CB 1.033 30.833 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.301 122.873 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 0.000 0.000 0.305 845 Q C 0.974 176.927 176.000 -0.077 0.000 1.345 845 Q CA 1.171 56.822 55.803 -0.253 0.000 0.854 845 Q CB -1.444 27.110 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.389 3.571 3.960 0.000 0.000 0.260 846 G HA3 -0.389 3.571 3.960 0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.704 45.799 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.098 121.515 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 0.000 0.000 0.268 847 K C -0.233 176.379 176.600 0.021 0.000 0.983 847 K CA -0.110 56.196 56.287 0.032 0.000 0.893 847 K CB 0.908 33.436 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.517 120.073 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 0.000 0.000 0.294 848 T C 1.107 175.744 174.700 -0.104 0.000 0.956 848 T CA -0.591 61.500 62.100 -0.014 0.000 0.987 848 T CB 0.527 69.409 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.042 123.087 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 0.000 0.000 0.202 849 L C 0.087 176.508 176.870 -0.748 0.000 1.074 849 L CA 0.988 55.388 54.840 -0.734 0.000 0.757 849 L CB -0.110 41.027 42.059 -1.538 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.036 118.869 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 0.000 0.000 0.316 850 F C -0.381 175.534 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.752 39.000 -0.685 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.392 122.217 120.570 0.425 0.000 2.499 851 I HA 0.316 4.486 4.170 0.000 0.000 0.288 851 I C -1.011 175.385 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.208 40.376 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.969 123.041 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 0.000 0.000 0.314 852 S C -0.727 174.129 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.752 64.389 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.619 124.290 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 0.000 0.000 0.315 853 R C -0.699 175.680 176.300 0.132 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.841 32.238 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.637 121.108 120.400 0.119 0.000 2.395 854 K HA 0.540 4.860 4.320 0.000 0.000 0.245 854 K C -0.650 175.930 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.767 32.500 -0.148 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.366 113.088 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 0.000 0.000 0.305 855 T C -1.485 173.119 174.700 -0.160 0.000 1.064 855 T CA -0.779 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.398 69.254 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.471 121.755 120.300 -0.026 0.000 2.350 856 Y HA 0.707 5.257 4.550 0.000 0.000 0.338 856 Y C 0.433 176.283 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.931 40.419 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.535 125.082 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 0.000 0.000 0.303 857 R C -2.032 174.231 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.744 56.100 -0.013 0.000 0.881 857 R CB 0.738 31.033 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.083 125.562 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 0.000 0.000 0.290 858 I C -0.278 175.739 176.117 -0.166 0.000 0.994 858 I CA -0.895 60.253 61.300 -0.254 0.000 1.191 858 I CB 1.490 39.175 38.000 -0.524 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.369 124.705 120.400 -0.107 0.000 2.549 859 D HA 0.239 4.879 4.640 0.000 0.000 0.270 859 D C 1.216 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.703 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.780 41.568 40.800 -0.021 0.000 1.154 859 D HN 0.497 nan 8.370 nan 0.000 0.602 860 G N -1.447 107.349 108.800 -0.007 0.000 2.679 860 G HA2 -0.122 3.838 3.960 0.000 0.000 0.212 860 G HA3 -0.122 3.838 3.960 0.000 0.000 0.212 860 G C 1.125 176.029 174.900 0.008 0.000 1.137 860 G CA 0.877 45.983 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.008 114.696 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 0.000 0.000 0.217 861 S C 1.764 176.395 174.600 0.052 0.000 0.975 861 S CA 0.924 59.131 58.200 0.012 0.000 0.912 861 S CB 0.047 63.253 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.818 109.665 108.800 0.078 0.000 2.132 862 G HA2 -0.209 3.751 3.960 0.000 0.000 0.234 862 G HA3 -0.209 3.751 3.960 0.000 0.000 0.234 862 G C -0.307 174.694 174.900 0.169 0.000 0.989 862 G CA 0.022 45.231 45.100 0.182 0.000 0.676 862 G HN 0.634 nan 8.290 nan 0.000 0.522 863 Q N -0.581 119.263 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 0.000 0.000 0.256 863 Q C 0.036 176.050 176.000 0.024 0.000 0.951 863 Q CA -0.542 55.312 55.803 0.086 0.000 0.890 863 Q CB 1.927 30.715 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.889 121.540 119.600 0.084 0.000 2.114 864 M HA 0.533 5.013 4.480 0.000 0.000 0.332 864 M C -1.470 174.927 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.181 33.821 32.600 0.067 0.000 1.551 864 M HN 0.784 nan 8.290 nan 0.000 0.427 865 A N 6.916 129.801 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 0.000 0.000 0.316 865 A C -0.830 176.800 177.584 0.078 0.000 1.229 865 A CA -0.664 51.437 52.037 0.106 0.000 0.851 865 A CB 0.480 19.522 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.404 122.004 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 0.000 0.000 0.297 866 I C -0.142 175.875 176.117 -0.166 0.000 1.011 866 I CA -0.378 60.865 61.300 -0.095 0.000 1.107 866 I CB 2.402 40.365 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.860 119.257 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 0.000 0.000 0.290 867 T C -0.721 173.769 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.263 0.000 0.975 867 T CB 1.859 70.669 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.187 123.767 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 0.000 0.000 0.304 868 V C -0.781 175.147 176.094 -0.277 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.082 33.339 31.823 -0.944 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.354 123.762 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 0.000 0.000 0.251 869 D C -1.090 175.348 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.899 43.841 40.800 0.236 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.805 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 0.000 0.000 0.310 870 V C 0.027 176.279 176.094 0.264 0.000 1.054 870 V CA -0.736 61.741 62.300 0.295 0.000 0.928 870 V CB 2.633 34.650 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.748 122.091 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.612 32.415 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.114 122.158 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 0.000 0.000 0.298 872 V C 0.027 176.236 176.094 0.191 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.560 33.541 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.379 126.286 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 0.000 0.000 0.243 873 A C 1.632 179.304 177.584 0.147 0.000 1.063 873 A CA 0.667 52.767 52.037 0.106 0.000 0.757 873 A CB 0.239 19.269 19.000 0.050 0.000 0.991 873 A HN 1.381 nan 8.150 nan 0.000 0.503 874 S N 1.308 117.084 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 0.000 0.000 0.236 874 S C 0.887 175.573 174.600 0.144 0.000 1.007 874 S CA 1.345 59.634 58.200 0.147 0.000 0.965 874 S CB -0.269 62.994 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.458 120.921 120.400 0.106 0.000 2.342 875 D HA 0.140 4.780 4.640 0.000 0.000 0.221 875 D C 0.526 176.877 176.300 0.086 0.000 1.101 875 D CA -0.010 54.038 54.000 0.081 0.000 0.837 875 D CB -0.266 40.565 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.620 115.256 114.554 0.137 0.000 2.943 876 T HA 0.455 4.805 4.350 0.000 0.000 0.284 876 T C -2.689 172.136 174.700 0.209 0.000 1.015 876 T CA -2.025 60.184 62.100 0.180 0.000 1.042 876 T CB 1.392 70.398 68.868 0.230 0.000 1.055 876 T HN -0.212 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.598 176.991 177.300 0.481 0.000 1.216 877 P CA -0.217 62.983 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.135 0.000 0.864 878 H N 3.078 122.488 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 0.000 0.000 0.324 878 H C -1.901 173.761 175.328 0.558 0.000 1.015 878 H CA -1.636 54.690 56.048 0.463 0.000 1.429 878 H CB -0.963 29.004 29.762 0.341 0.000 1.429 878 H HN 0.300 nan 8.280 nan 0.000 0.585 879 P HA 0.082 nan 4.420 nan 0.000 0.275 879 P C 0.452 177.669 177.300 -0.138 0.000 1.228 879 P CA -0.299 62.861 63.100 0.100 0.000 0.786 879 P CB 0.770 32.373 31.700 -0.162 0.000 0.927 880 A N 3.481 125.993 122.820 -0.513 0.000 1.972 880 A HA -0.116 4.204 4.320 0.000 0.000 0.219 880 A C 1.037 178.246 177.584 -0.625 0.000 1.169 880 A CA 1.572 53.252 52.037 -0.595 0.000 0.635 880 A CB -0.606 17.846 19.000 -0.913 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -3.015 117.158 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.537 30.485 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.162 121.532 120.570 -0.334 0.000 2.540 882 I HA 0.640 4.810 4.170 0.000 0.000 0.280 882 I C -0.443 175.434 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.662 61.300 -0.326 0.000 1.080 882 I CB 1.727 39.615 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.929 114.451 108.800 -0.463 0.000 2.578 883 G HA2 0.725 4.685 3.960 0.000 0.000 0.302 883 G HA3 0.725 4.685 3.960 0.000 0.000 0.302 883 G C -1.767 172.957 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.357 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.673 121.771 121.223 -0.209 0.000 2.327 884 L HA 0.682 5.022 4.340 0.000 0.000 0.258 884 L C -0.844 175.921 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.637 44.662 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.225 118.850 118.700 -0.124 0.000 2.927 885 N HA 0.688 5.428 4.740 0.000 0.000 0.248 885 N C -1.275 174.244 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.167 40.632 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.926 117.422 119.300 0.079 0.000 3.253 886 C HA 0.567 5.027 4.460 0.000 0.000 0.342 886 C C -1.377 173.532 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.682 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.360 120.870 119.800 -0.485 0.000 2.372 887 Q HA 0.640 4.980 4.340 0.000 0.000 0.259 887 Q C -1.009 174.715 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.823 28.636 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.743 123.779 121.223 -0.311 0.000 2.397 888 L HA 0.257 4.597 4.340 0.000 0.000 0.271 888 L C 1.200 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.527 54.840 -0.129 0.000 0.825 888 L CB 0.961 43.039 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.544 125.299 122.820 -0.109 0.000 1.969 889 A HA -0.132 4.188 4.320 0.000 0.000 0.218 889 A C 1.132 178.679 177.584 -0.061 0.000 1.169 889 A CA 0.757 52.729 52.037 -0.109 0.000 0.635 889 A CB -0.262 18.669 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.599 119.195 119.800 -0.011 0.000 2.382 890 Q HA 0.465 4.805 4.340 0.000 0.000 0.229 890 Q C -1.128 174.881 176.000 0.016 0.000 1.006 890 Q CA 0.094 55.889 55.803 -0.014 0.000 0.916 890 Q CB 0.940 29.674 28.738 -0.007 0.000 1.235 890 Q HN 0.140 nan 8.270 nan 0.000 0.512 891 V N 2.092 121.983 119.914 -0.039 0.000 2.610 891 V HA 0.739 4.859 4.120 0.000 0.000 0.298 891 V C -0.867 175.179 176.094 -0.080 0.000 1.067 891 V CA -0.119 62.196 62.300 0.024 0.000 0.894 891 V CB 1.097 32.931 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.278 126.007 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 0.000 0.000 0.301 892 A C 0.632 178.258 177.584 0.071 0.000 1.163 892 A CA -0.302 51.630 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.193 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.295 119.933 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.143 0.000 0.974 893 E CA 1.020 57.472 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.575 120.020 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 0.000 0.000 0.258 894 R C -1.091 175.397 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.140 32.526 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.549 121.651 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 0.000 0.000 0.304 895 V C -0.653 175.709 176.094 0.447 0.000 1.054 895 V CA -0.949 61.574 62.300 0.371 0.000 0.882 895 V CB 1.914 33.909 31.823 0.287 0.000 1.002 895 V HN 0.719 nan 8.190 nan 0.000 0.424 896 N N 4.067 123.021 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 0.000 0.000 0.291 896 N C -1.469 174.312 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.367 0.000 0.864 896 N CB 2.912 41.507 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.138 124.495 121.300 0.096 0.000 3.074 897 W HA 0.614 5.274 4.660 0.000 0.000 0.332 897 W C -2.146 174.374 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.734 30.265 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.909 125.146 121.223 0.022 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.022 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.081 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.718 42.059 -0.162 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.661 112.325 108.800 -0.227 0.000 2.392 899 G HA2 0.190 4.150 3.960 0.000 0.000 0.260 899 G HA3 0.190 4.150 3.960 0.000 0.000 0.260 899 G C -1.587 173.465 174.900 0.254 0.000 1.226 899 G CA -1.011 44.175 45.100 0.142 0.000 0.913 899 G HN 0.370 nan 8.290 nan 0.000 0.483 900 L N 1.522 122.974 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.112 0.000 1.113 900 L CA 0.509 55.493 54.840 0.239 0.000 0.849 900 L CB 0.443 42.574 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.556 112.159 108.800 -0.329 0.000 2.606 901 G HA2 0.472 4.432 3.960 0.000 0.000 0.300 901 G HA3 0.472 4.432 3.960 0.000 0.000 0.300 901 G C -2.749 171.286 174.900 -1.441 0.000 1.360 901 G CA -0.376 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.807 63.100 -0.995 0.000 0.824 902 P CB 0.613 31.883 31.700 -0.717 0.000 1.077 903 Q N 0.822 120.424 119.800 -0.330 0.000 2.318 903 Q HA 0.136 4.476 4.340 0.000 0.000 0.222 903 Q C 0.336 176.209 176.000 -0.210 0.000 1.003 903 Q CA -0.527 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.784 29.429 28.738 -0.155 0.000 1.204 903 Q HN 0.176 nan 8.270 nan 0.000 0.524 904 E N 1.389 121.476 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.204 4.350 0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.915 904 E HN 0.612 nan 8.360 nan 0.000 0.487 905 N N 2.775 121.303 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 0.000 0.000 0.283 905 N C -1.856 173.412 175.510 -0.404 0.000 1.105 905 N CA -0.680 52.257 53.050 -0.190 0.000 0.840 905 N CB 0.737 39.134 38.487 -0.150 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N -0.190 120.021 120.300 -0.148 0.000 2.602 906 Y HA 0.513 5.063 4.550 0.000 0.000 0.342 906 Y C -1.654 174.179 175.900 -0.112 0.000 1.029 906 Y CA -2.060 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.752 40.109 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.438 177.677 177.300 -0.102 0.000 1.157 907 P CA 2.211 65.359 63.100 0.080 0.000 0.880 907 P CB 0.181 32.014 31.700 0.221 0.000 0.791 908 D N -2.106 118.035 120.400 -0.430 0.000 2.358 908 D HA 0.007 4.647 4.640 0.000 0.000 0.224 908 D C 0.553 176.713 176.300 -0.233 0.000 1.123 908 D CA 0.032 53.574 54.000 -0.763 0.000 0.833 908 D CB -0.247 39.766 40.800 -1.312 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.018 121.480 120.500 -0.064 0.000 2.928 909 R HA 0.213 4.553 4.340 0.000 0.000 0.248 909 R C -0.762 175.573 176.300 0.058 0.000 1.796 909 R CA -0.218 55.899 56.100 0.029 0.000 1.477 909 R CB 0.083 30.401 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.898 120.370 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 0.000 0.000 0.341 910 L C 1.237 178.170 176.870 0.105 0.000 1.247 910 L CA 0.226 55.106 54.840 0.068 0.000 1.133 910 L CB 0.112 42.194 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.374 112.270 114.554 0.150 0.000 2.881 911 T HA 0.000 4.350 4.350 0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.393 63.608 62.100 0.192 0.000 1.131 911 T CB -0.294 68.729 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.208 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 0.000 0.000 0.216 912 A C 1.686 179.367 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.863 18.321 19.000 0.307 0.000 0.805 912 A HN 0.822 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.875 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 0.000 0.000 0.345 916 D C -1.508 173.879 176.300 -1.523 0.000 1.391 916 D CA -0.675 52.575 54.000 -1.251 0.000 0.930 916 D CB 2.204 42.222 40.800 -1.304 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.524 120.176 120.500 -1.413 0.000 2.229 917 R HA 0.478 4.818 4.340 0.000 0.000 0.332 917 R C -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.011 56.100 -1.126 0.000 0.842 917 R CB 0.504 30.416 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.782 123.522 121.300 -0.934 0.000 2.689 918 W HA 0.402 5.062 4.660 0.000 0.000 0.340 918 W C -0.447 175.683 176.519 -0.650 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.567 29.886 29.460 -1.901 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.106 123.451 120.400 -0.091 0.000 2.686 919 D HA 0.519 5.159 4.640 0.000 0.000 0.249 919 D C -1.275 175.122 176.300 0.162 0.000 1.260 919 D CA -0.121 53.925 54.000 0.078 0.000 0.910 919 D CB 1.210 42.022 40.800 0.020 0.000 1.323 919 D HN 0.393 nan 8.370 nan 0.000 0.561 920 L N 2.654 124.044 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.134 52.845 54.840 0.232 0.000 0.859 920 L CB 2.734 44.963 42.059 0.284 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.463 177.842 177.300 0.131 0.000 1.276 921 P CA -0.509 62.669 63.100 0.131 0.000 0.808 921 P CB 1.321 33.077 31.700 0.094 0.000 0.966 922 L N 3.678 124.984 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 0.000 0.000 0.218 922 L C 2.188 179.111 176.870 0.088 0.000 1.080 922 L CA 2.846 57.754 54.840 0.114 0.000 0.776 922 L CB -1.527 40.614 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.811 113.943 115.700 0.090 0.000 2.383 923 S HA -0.193 4.277 4.470 0.000 0.000 0.229 923 S C 1.624 176.295 174.600 0.117 0.000 1.030 923 S CA 1.244 59.506 58.200 0.103 0.000 1.002 923 S CB -0.775 62.475 63.200 0.084 0.000 0.829 923 S HN 0.528 nan 8.310 nan 0.000 0.467 924 D N 1.322 121.773 120.400 0.085 0.000 2.348 924 D HA 0.083 4.723 4.640 0.000 0.000 0.216 924 D C 1.194 177.510 176.300 0.027 0.000 0.970 924 D CA 0.606 54.639 54.000 0.055 0.000 0.889 924 D CB -0.185 40.652 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.231 119.395 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 0.000 0.000 0.224 925 M C -0.156 176.163 176.300 0.031 0.000 1.171 925 M CA -0.020 55.264 55.300 -0.027 0.000 0.993 925 M CB -0.965 31.599 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.158 120.098 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 0.000 0.000 0.344 926 Y C -0.854 174.966 175.900 -0.134 0.000 0.969 926 Y CA -0.803 57.255 58.100 -0.070 0.000 1.052 926 Y CB 1.530 40.002 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.632 122.642 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 0.000 0.000 0.324 927 T C -2.659 171.197 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.982 62.100 -1.041 0.000 0.983 927 T CB 0.961 69.330 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.039 nan 4.420 nan 0.000 0.246 928 P C -0.565 176.558 177.300 -0.295 0.000 1.675 928 P CA -0.302 62.357 63.100 -0.735 0.000 0.908 928 P CB -0.895 30.528 31.700 -0.462 0.000 1.890 929 Y N -0.427 119.757 120.300 -0.194 0.000 2.632 929 Y HA -0.091 4.460 4.550 0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.495 57.567 58.100 -0.063 0.000 1.469 929 Y CB 0.493 38.869 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.315 124.418 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 0.000 0.000 0.250 930 V C 0.628 176.874 176.094 0.253 0.000 1.060 930 V CA 1.679 64.147 62.300 0.280 0.000 1.030 930 V CB -0.512 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.402 123.387 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 0.000 0.000 0.359 931 F C -2.323 173.474 175.800 -0.005 0.000 1.122 931 F CA -3.187 54.800 58.000 -0.023 0.000 1.120 931 F CB 0.958 39.833 39.000 -0.208 0.000 1.142 931 F HN -0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.228 175.767 177.300 -0.508 0.000 1.238 932 P CA -0.183 62.653 63.100 -0.440 0.000 0.794 932 P CB 1.662 33.167 31.700 -0.324 0.000 0.955 933 S N -0.352 115.241 115.700 -0.178 0.000 2.656 933 S HA 0.376 4.846 4.470 0.000 0.000 0.265 933 S C -0.833 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.248 63.431 63.200 -0.027 0.000 1.119 933 S HN 0.384 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.429 120.200 0.002 0.000 2.568 934 E HA 0.336 4.686 4.350 0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.076 0.000 0.961 934 E CA 1.139 57.562 56.400 0.039 0.000 0.945 934 E CB -0.314 29.433 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.176 119.950 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 0.000 0.000 0.248 935 N C 0.254 175.809 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.510 39.090 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.398 107.410 108.800 0.014 0.000 2.189 936 G HA2 -0.281 3.679 3.960 0.000 0.000 0.267 936 G HA3 -0.281 3.679 3.960 0.000 0.000 0.267 936 G C -0.148 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.565 45.559 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.970 121.877 121.223 -0.527 0.000 2.506 937 L HA 0.491 4.831 4.340 0.000 0.000 0.281 937 L C 0.732 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.323 54.615 54.840 -0.912 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.314 nan 8.230 nan 0.000 0.496 938 R N 3.851 123.706 120.500 -1.075 0.000 2.532 938 R HA 0.475 4.815 4.340 0.000 0.000 0.297 938 R C -1.067 174.867 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.841 0.000 0.884 938 R CB 0.729 30.489 30.300 -0.901 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.440 118.651 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 0.000 0.000 0.393 939 C C 1.362 176.328 174.990 -0.040 0.000 1.284 939 C CA 0.087 58.989 59.018 -0.193 0.000 2.033 939 C CB 0.963 28.616 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.694 110.484 108.800 -0.016 0.000 2.338 940 G HA2 -0.166 3.794 3.960 0.000 0.000 0.296 940 G HA3 -0.166 3.794 3.960 0.000 0.000 0.296 940 G C -0.143 174.819 174.900 0.102 0.000 1.040 940 G CA 0.472 45.611 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.510 113.974 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.494 0.000 0.984 941 T CA -0.529 61.444 62.100 -0.211 0.000 1.049 941 T CB 1.707 70.421 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.906 121.323 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 0.000 0.000 0.197 942 R C 0.448 176.800 176.300 0.087 0.000 0.900 942 R CA 0.148 56.236 56.100 -0.020 0.000 1.052 942 R CB 0.858 31.267 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.055 121.324 120.200 0.115 0.000 2.304 943 E HA 0.287 4.637 4.350 0.000 0.000 0.277 943 E C -1.990 174.767 176.600 0.260 0.000 0.898 943 E CA -0.630 55.905 56.400 0.226 0.000 0.764 943 E CB 1.766 31.567 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.169 125.603 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 0.000 0.000 0.270 944 L C -1.933 175.177 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 54.840 0.276 0.000 0.822 944 L CB 1.813 43.888 42.059 0.027 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.468 123.365 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 0.000 0.000 0.289 945 N C -2.001 173.761 175.510 0.421 0.000 1.027 945 N CA -0.215 53.034 53.050 0.331 0.000 0.864 945 N CB 2.034 40.647 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.370 121.851 120.300 0.301 0.000 2.330 946 Y HA 0.447 4.997 4.550 0.000 0.000 0.324 946 Y C 0.577 176.618 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.615 39.251 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.492 115.208 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 0.000 0.000 0.271 947 G C -1.831 173.008 174.900 -0.101 0.000 1.209 947 G CA -0.067 44.924 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.093 nan 4.420 nan 0.000 0.237 948 P C 0.513 177.573 177.300 -0.399 0.000 1.178 948 P CA 1.106 64.029 63.100 -0.295 0.000 0.766 948 P CB -0.110 31.340 31.700 -0.416 0.000 0.876 949 H N -0.362 118.662 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 0.000 0.000 0.351 949 H C 0.333 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.128 55.758 56.048 -0.271 0.000 1.339 949 H CB 0.766 30.201 29.762 -0.544 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.112 121.644 119.800 -0.446 0.000 2.284 950 Q HA 0.251 4.591 4.340 0.000 0.000 0.269 950 Q C -1.933 173.821 176.000 -0.410 0.000 1.026 950 Q CA -0.728 54.925 55.803 -0.249 0.000 0.831 950 Q CB 1.670 30.391 28.738 -0.028 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.610 124.912 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 0.000 0.000 0.335 951 W C -0.292 176.325 176.519 0.163 0.000 1.059 951 W CA -0.908 56.409 57.345 -0.047 0.000 1.226 951 W CB 2.178 31.422 29.460 -0.360 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.602 121.357 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 0.000 0.000 0.281 952 R C 0.075 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.419 32.885 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.915 110.012 108.800 0.496 0.000 2.564 953 G HA2 -0.028 3.932 3.960 0.000 0.000 0.139 953 G HA3 -0.028 3.932 3.960 0.000 0.000 0.139 953 G C -1.757 173.310 174.900 0.278 0.000 1.147 953 G CA -0.401 44.947 45.100 0.414 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.438 121.024 120.400 0.310 0.000 2.330 954 D HA 0.586 5.226 4.640 0.000 0.000 0.249 954 D C -0.983 175.366 176.300 0.083 0.000 1.306 954 D CA -0.228 53.813 54.000 0.070 0.000 0.956 954 D CB 0.817 41.670 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.098 120.050 119.950 0.003 0.000 3.016 955 F HA 0.595 5.122 4.527 0.000 0.000 0.324 955 F C -1.214 174.560 175.800 -0.043 0.000 1.196 955 F CA -1.020 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.720 39.651 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.359 121.263 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 0.000 0.000 0.276 956 Q C -1.418 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.557 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.591 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.279 118.557 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 0.000 0.000 0.316 957 F C -1.837 173.754 175.800 -0.348 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.460 40.325 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.889 119.444 118.700 -0.242 0.000 2.494 958 N HA 0.710 5.450 4.740 0.000 0.000 0.270 958 N C -2.189 173.301 175.510 -0.035 0.000 1.285 958 N CA -0.704 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.528 40.838 38.487 -0.295 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.373 120.903 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 0.000 0.000 0.289 959 I C -1.260 174.810 176.117 -0.078 0.000 1.222 959 I CA 0.086 61.324 61.300 -0.104 0.000 1.046 959 I CB 1.267 39.139 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.337 122.016 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 0.000 0.000 0.286 960 S C -0.320 174.243 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.628 64.896 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.021 120.288 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 0.000 0.000 0.298 961 R C -1.102 174.865 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.489 29.407 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.305 120.609 120.300 0.008 0.000 2.391 962 Y HA 0.233 4.783 4.550 0.000 0.000 0.341 962 Y C 0.703 176.369 175.900 -0.390 0.000 0.965 962 Y CA -1.204 56.804 58.100 -0.154 0.000 1.067 962 Y CB 1.512 39.829 38.460 -0.238 0.000 1.199 962 Y HN -0.074 nan 8.280 nan 0.000 0.450 963 S N 1.757 117.123 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.514 0.000 1.334 963 S CA -0.635 56.900 58.200 -1.107 0.000 1.015 963 S CB 1.115 63.677 63.200 -1.063 0.000 0.912 963 S HN 0.760 nan 8.310 nan 0.000 0.541 964 Q N 0.731 120.233 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.873 57.519 55.803 -0.262 0.000 0.850 964 Q CB -0.509 28.110 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.690 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.437 57.151 55.803 -0.147 0.000 0.850 965 Q CB 0.024 28.691 28.738 -0.118 0.000 0.901 965 Q HN 0.388 nan 8.270 nan 0.000 0.422 966 Q N 0.115 119.820 119.800 -0.158 0.000 2.030 966 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 966 Q C 2.294 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.733 57.463 55.803 -0.122 0.000 0.843 966 Q CB -0.192 28.468 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.113 121.239 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.442 56.171 54.840 -0.185 0.000 0.752 967 L CB -0.424 41.544 42.059 -0.151 0.000 0.891 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -0.513 119.001 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 0.000 0.000 0.264 968 M C 1.728 177.964 176.300 -0.106 0.000 1.063 968 M CA 1.676 56.904 55.300 -0.120 0.000 1.114 968 M CB 0.099 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.653 119.490 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 0.000 0.000 0.194 969 E C -0.231 176.338 176.600 -0.051 0.000 1.041 969 E CA 0.148 56.514 56.400 -0.057 0.000 0.874 969 E CB 0.436 30.113 29.700 -0.037 0.000 0.914 969 E HN 0.348 nan 8.360 nan 0.000 0.498 970 T N 0.252 114.748 114.554 -0.098 0.000 2.837 970 T HA 0.107 4.457 4.350 0.000 0.000 0.285 970 T C 1.117 175.750 174.700 -0.111 0.000 0.984 970 T CA -0.403 61.645 62.100 -0.087 0.000 1.049 970 T CB 1.679 70.472 68.868 -0.124 0.000 0.947 970 T HN 0.033 nan 8.240 nan 0.000 0.472 971 S N 1.474 117.200 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 0.000 0.000 0.220 971 S C 0.245 174.939 174.600 0.157 0.000 1.011 971 S CA 0.132 58.426 58.200 0.158 0.000 0.921 971 S CB -0.174 63.265 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.709 119.816 119.070 0.060 0.000 2.717 972 H HA 0.533 5.089 4.556 0.000 0.000 0.366 972 H C 1.037 176.411 175.328 0.076 0.000 1.132 972 H CA -0.769 55.391 56.048 0.186 0.000 1.180 972 H CB 1.495 31.460 29.762 0.338 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.538 122.199 120.500 0.269 0.000 2.091 973 R HA -0.199 4.141 4.340 0.000 0.000 0.238 973 R C 1.347 177.712 176.300 0.109 0.000 1.136 973 R CA 2.003 58.182 56.100 0.132 0.000 0.959 973 R CB -0.622 29.758 30.300 0.133 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.679 120.776 119.070 0.045 0.000 2.518 974 H HA -0.030 4.526 4.556 0.000 0.000 0.292 974 H C 1.435 176.711 175.328 -0.087 0.000 1.068 974 H CA 1.064 57.095 56.048 -0.028 0.000 1.275 974 H CB -0.251 29.485 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.829 121.755 121.223 -0.494 0.000 2.611 975 L HA 0.255 4.595 4.340 0.000 0.000 0.229 975 L C 0.306 177.095 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.392 0.000 0.901 975 L CB -0.001 41.813 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.840 121.993 121.223 -0.116 0.000 2.375 976 L HA 0.316 4.656 4.340 0.000 0.000 0.271 976 L C 0.187 177.109 176.870 0.087 0.000 1.107 976 L CA -0.423 54.363 54.840 -0.090 0.000 0.806 976 L CB 0.745 42.592 42.059 -0.353 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.359 120.511 119.070 0.138 0.000 2.600 977 H HA 0.654 5.210 4.556 0.000 0.000 0.357 977 H C -0.763 174.628 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.377 31.152 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.464 126.275 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.419 4.320 0.000 0.000 0.236 978 A C 0.329 177.853 177.584 -0.099 0.000 1.062 978 A CA -0.147 51.702 52.037 -0.314 0.000 0.760 978 A CB 0.065 18.909 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.571 120.673 120.200 -0.162 0.000 2.292 979 E HA 0.150 4.500 4.350 0.000 0.000 0.258 979 E C 0.624 177.205 176.600 -0.031 0.000 1.115 979 E CA -0.705 55.708 56.400 0.022 0.000 0.929 979 E CB 0.725 30.529 29.700 0.175 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.332 120.522 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 0.000 0.000 0.201 980 E C 0.937 177.467 176.600 -0.117 0.000 1.016 980 E CA 1.777 58.137 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.459 107.221 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 0.000 0.000 0.187 981 G C -0.692 174.099 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.109 nan 8.290 nan 0.000 0.687 982 T N 0.485 114.927 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 0.000 0.000 0.282 982 T C -1.487 173.064 174.700 -0.248 0.000 0.990 982 T CA -0.110 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.496 70.397 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.223 124.440 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 0.000 0.000 0.311 983 W C -0.332 176.074 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.530 57.345 -0.143 0.000 1.199 983 W CB 0.829 30.214 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.623 126.907 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 0.000 0.000 0.274 984 L C -1.159 175.642 176.870 -0.115 0.000 0.988 984 L CA -0.570 54.200 54.840 -0.117 0.000 0.824 984 L CB 1.063 42.919 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.967 125.583 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 0.000 0.000 0.277 985 N C -1.187 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.671 53.050 -0.159 0.000 0.903 985 N CB 2.366 40.777 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.756 122.161 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 0.000 0.000 0.285 986 I C -0.640 175.313 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.470 39.132 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.529 124.803 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 0.000 0.000 0.243 987 D C 0.988 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.624 54.000 -0.296 0.000 0.838 987 D CB 2.486 43.202 40.800 -0.139 0.000 1.162 987 D HN 0.692 nan 8.370 nan 0.000 0.472 988 G N 1.116 109.373 108.800 -0.906 0.000 2.430 988 G HA2 0.049 4.009 3.960 0.000 0.000 0.216 988 G HA3 0.049 4.009 3.960 0.000 0.000 0.216 988 G C 0.042 174.075 174.900 -1.444 0.000 1.146 988 G CA 0.468 44.751 45.100 -1.361 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.802 117.954 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 0.000 0.000 0.308 989 F C -0.730 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.246 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.732 121.834 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 0.000 0.000 0.354 990 H C -1.071 174.289 175.328 0.053 0.000 1.085 990 H CA -0.755 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.366 32.104 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.939 122.489 119.600 -0.082 0.000 2.240 991 M HA 0.282 4.762 4.480 0.000 0.000 0.317 991 M C 0.405 176.823 176.300 0.197 0.000 1.087 991 M CA 0.549 55.874 55.300 0.042 0.000 1.176 991 M CB 0.403 32.926 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.274 111.166 108.800 0.153 0.000 2.653 992 G HA2 0.358 4.318 3.960 0.000 0.000 0.265 992 G HA3 0.358 4.318 3.960 0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.038 0.000 1.237 992 G CA -0.289 44.830 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.588 117.906 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 0.000 0.000 0.313 993 I C 1.135 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.623 110.370 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 0.000 0.000 0.239 994 G C 0.575 175.466 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.020 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.400 106.409 108.800 0.014 0.000 2.559 995 G HA2 0.025 3.985 3.960 0.000 0.000 0.202 995 G HA3 0.025 3.985 3.960 0.000 0.000 0.202 995 G C 0.666 175.615 174.900 0.082 0.000 0.992 995 G CA 0.913 46.032 45.100 0.031 0.000 0.764 995 G HN 0.979 nan 8.290 nan 0.000 0.525 996 D N 1.290 121.754 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 0.000 0.000 0.199 996 D C 0.948 177.274 176.300 0.043 0.000 0.997 996 D CA 2.178 56.291 54.000 0.190 0.000 0.863 996 D CB 0.092 41.015 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.757 116.470 120.400 -0.288 0.000 2.653 997 D HA 0.283 4.923 4.640 0.000 0.000 0.258 997 D C -0.796 174.997 176.300 -0.845 0.000 1.252 997 D CA -0.723 52.688 54.000 -0.982 0.000 0.777 997 D CB 0.810 40.536 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.301 114.718 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 0.000 0.000 0.244 998 S C -0.484 174.197 174.600 0.135 0.000 1.001 998 S CA -0.654 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.524 62.834 63.200 0.263 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.232 122.475 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 0.000 0.000 0.338 999 W C -0.042 176.430 176.519 -0.077 0.000 0.914 999 W CA -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.275 114.311 115.700 -0.190 0.000 2.588 1000 S HA 0.628 5.098 4.470 0.000 0.000 0.269 1000 S C -3.213 171.320 174.600 -0.112 0.000 1.157 1000 S CA -1.559 56.563 58.200 -0.130 0.000 0.824 1000 S CB 1.637 64.761 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.285 nan 4.420 nan 0.000 0.271 1001 P C 0.291 177.622 177.300 0.052 0.000 1.233 1001 P CA -0.217 62.895 63.100 0.021 0.000 0.764 1001 P CB 0.801 32.436 31.700 -0.109 0.000 0.825 1002 S N 0.778 116.536 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 0.000 0.000 0.242 1002 S C 0.332 175.008 174.600 0.126 0.000 1.025 1002 S CA -0.307 57.934 58.200 0.068 0.000 1.016 1002 S CB -0.218 62.977 63.200 -0.008 0.000 0.977 1002 S HN 0.120 nan 8.310 nan 0.000 0.546 1003 V N 4.307 124.338 119.914 0.197 0.000 2.455 1003 V HA 0.397 4.517 4.120 0.000 0.000 0.273 1003 V C 0.770 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.396 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.693 32.592 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.451 120.338 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 0.000 0.000 0.273 1004 S C 1.471 176.221 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.300 58.200 0.281 0.000 1.028 1004 S CB 1.450 64.783 63.200 0.222 0.000 0.906 1004 S HN 1.058 nan 8.310 nan 0.000 0.528 1005 A N 2.034 124.944 122.820 0.150 0.000 1.915 1005 A HA -0.234 4.086 4.320 0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.216 54.314 52.037 0.103 0.000 0.647 1005 A CB -1.355 17.684 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.904 119.196 120.200 -0.167 0.000 2.331 1006 E HA -0.137 4.213 4.350 0.000 0.000 0.199 1006 E C 0.838 177.054 176.600 -0.641 0.000 1.008 1006 E CA 1.181 57.309 56.400 -0.453 0.000 0.843 1006 E CB -0.405 28.831 29.700 -0.774 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.693 120.692 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 0.000 0.000 0.302 1007 F C 0.481 176.319 175.800 0.064 0.000 1.097 1007 F CA -0.409 57.638 58.000 0.079 0.000 1.294 1007 F CB 0.242 39.289 39.000 0.078 0.000 1.027 1007 F HN -0.167 nan 8.300 nan 0.000 0.550 1008 Q N 1.155 121.059 119.800 0.173 0.000 2.222 1008 Q HA 0.422 4.762 4.340 0.000 0.000 0.252 1008 Q C -0.210 175.819 176.000 0.047 0.000 0.926 1008 Q CA -0.599 55.295 55.803 0.151 0.000 0.899 1008 Q CB 2.029 30.949 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.407 123.637 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 0.000 0.000 0.258 1009 L C 0.691 177.461 176.870 -0.167 0.000 1.266 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.394 41.532 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.086 114.456 115.700 -0.263 0.000 2.539 1010 S HA 0.139 4.609 4.470 0.000 0.000 0.221 1010 S C 1.725 176.228 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.697 63.596 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.692 124.470 122.820 -0.070 0.000 2.019 1011 A HA 0.397 4.717 4.320 0.000 0.000 0.219 1011 A C 2.166 179.613 177.584 -0.229 0.000 1.164 1011 A CA 1.470 53.334 52.037 -0.289 0.000 0.644 1011 A CB -1.337 17.192 19.000 -0.785 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.598 107.184 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 0.000 0.000 0.233 1012 G C 0.431 175.343 174.900 0.019 0.000 1.103 1012 G CA 0.444 45.566 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.597 119.762 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 0.000 0.000 0.293 1013 R C -1.569 174.475 176.300 -0.425 0.000 0.983 1013 R CA -0.650 55.368 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.863 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.154 120.466 120.300 0.019 0.000 2.512 1014 Y HA 0.389 4.939 4.550 0.000 0.000 0.348 1014 Y C -0.400 175.699 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.203 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.463 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.264 121.656 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 0.000 0.000 0.366 1015 H C -1.750 173.952 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.322 56.048 0.457 0.000 1.180 1015 H CB 1.411 31.327 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.088 121.095 120.300 -0.489 0.000 2.624 1016 Y HA 0.503 5.053 4.550 0.000 0.000 0.334 1016 Y C -1.992 173.702 175.900 -0.342 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.290 0.000 1.046 1016 Y CB 1.279 39.662 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.079 122.836 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 0.000 0.000 0.280 1017 Q C -1.812 174.240 176.000 0.087 0.000 1.085 1017 Q CA -1.125 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.709 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.759 nan 8.270 nan 0.000 0.419 1018 L N 0.795 122.056 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 0.000 0.000 0.256 1018 L C -1.606 175.367 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.861 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.821 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.652 121.701 119.914 0.224 0.000 2.531 1019 V HA 0.490 4.610 4.120 0.000 0.000 0.301 1019 V C -1.027 175.246 176.094 0.299 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.104 34.044 31.823 0.196 0.000 0.995 1019 V HN 0.643 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543