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 1jyz_1_K 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 -1.830 112.761 114.554 0.061 0.000 3.113 4 T HA 0.151 4.501 4.350 -0.000 0.000 0.256 4 T C 0.807 175.557 174.700 0.083 0.000 1.131 4 T CA 1.213 63.339 62.100 0.044 0.000 1.074 4 T CB -0.564 68.328 68.868 0.040 0.000 0.944 4 T HN 0.343 nan 8.240 nan 0.000 0.516 5 D N 2.291 122.793 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.827 177.327 176.300 0.333 0.000 1.039 5 D CA 0.076 54.283 54.000 0.345 0.000 0.866 5 D CB 0.020 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 0.127 115.916 115.700 0.147 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 0.077 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 4.063 125.312 121.223 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 40.246 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.442 121.382 122.820 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 2.507 54.547 52.037 0.005 0.000 0.649 8 A CB -1.099 17.901 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.016 118.890 119.914 -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 1.663 63.935 62.300 -0.046 0.000 1.027 9 V CB -0.180 31.619 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.843 120.671 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.269 178.258 176.094 -0.174 0.000 1.054 10 V CA 2.409 64.520 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 0.265 121.477 121.223 -0.017 0.000 2.642 11 L HA -0.155 4.185 4.340 -0.000 0.000 0.236 11 L C 2.452 179.401 176.870 0.132 0.000 1.169 11 L CA 0.926 55.889 54.840 0.206 0.000 0.851 11 L CB -0.841 41.372 42.059 0.257 0.000 0.968 11 L HN 0.424 nan 8.230 nan 0.000 0.453 12 Q N 2.216 122.019 119.800 0.005 0.000 2.030 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.241 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.100 57.887 55.803 -0.028 0.000 0.843 12 Q CB -0.111 28.596 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.267 120.158 120.500 -0.124 0.000 2.120 13 R HA 0.058 4.398 4.340 -0.000 0.000 0.234 13 R C 0.323 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.906 56.896 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 0.999 121.207 120.500 -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 -1.477 28.209 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.186 119.924 120.400 -0.483 0.000 2.218 15 D HA -0.190 4.450 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 1.842 55.639 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 0.489 177.121 176.519 0.189 0.000 1.316 16 W CA -0.111 57.368 57.345 0.224 0.000 1.520 16 W CB -0.198 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 0.943 120.974 120.200 -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 -0.228 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.462 29.700 -0.109 0.000 1.088 17 E HN 0.109 nan 8.360 nan 0.000 0.463 18 N N 1.210 119.824 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.253 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.866 51.066 53.050 -0.196 0.000 0.831 18 N CB 1.460 39.837 38.487 -0.184 0.000 1.379 18 N HN -0.233 nan 8.380 nan 0.000 0.536 19 P HA -0.043 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 63.831 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 -0.583 108.039 108.800 -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 0.350 175.182 174.900 -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 1.130 121.000 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.865 177.025 176.094 0.110 0.000 1.016 21 V CA 0.188 62.501 62.300 0.022 0.000 0.840 21 V CB 1.352 33.191 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.863 115.467 114.554 0.083 0.000 2.975 22 T HA 0.350 4.700 4.350 -0.000 0.000 0.257 22 T C 0.221 174.928 174.700 0.011 0.000 1.003 22 T CA 0.299 62.433 62.100 0.056 0.000 0.932 22 T CB 0.388 69.254 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.128 119.984 119.800 0.094 0.000 2.756 23 Q HA 0.708 5.048 4.340 -0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 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 2.529 123.905 121.223 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 1.419 43.784 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.166 119.983 118.700 0.195 0.000 2.753 25 N HA -0.237 4.502 4.740 -0.000 0.000 0.251 25 N C 0.526 176.110 175.510 0.123 0.000 1.097 25 N CA 0.845 54.000 53.050 0.176 0.000 0.786 25 N CB -0.671 37.918 38.487 0.170 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.161 121.607 120.500 -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 -0.364 55.391 56.100 -0.575 0.000 1.034 26 R CB 0.571 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 2.518 123.552 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 27 L C 0.656 177.480 176.870 -0.077 0.000 1.227 27 L CA -0.602 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.389 42.420 42.059 -0.045 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.363 123.188 122.820 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 -0.221 51.839 52.037 0.038 0.000 0.807 28 A CB 0.521 19.560 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 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.155 177.739 177.584 0.001 0.000 1.082 29 A CA 0.737 52.728 52.037 -0.076 0.000 0.786 29 A CB -0.175 18.759 19.000 -0.111 0.000 1.029 29 A HN 2.072 nan 8.150 nan 0.000 0.495 30 H N -2.573 116.428 119.070 -0.115 0.000 2.883 30 H HA 0.541 5.097 4.556 -0.000 0.000 0.266 30 H C -3.423 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.443 54.503 56.048 -0.170 0.000 1.179 30 H CB -0.051 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 0.220 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 -1.569 61.307 63.100 -0.374 0.000 0.795 31 P CB -0.413 31.042 31.700 -0.408 0.000 1.038 32 P HA 0.105 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.495 177.300 -0.030 0.000 1.199 32 P CA 0.880 63.871 63.100 -0.180 0.000 0.763 32 P CB -0.205 31.482 31.700 -0.022 0.000 0.790 33 F N 1.422 121.493 119.950 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 1.921 40.942 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.245 123.074 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.200 34 A C 0.821 178.172 177.584 -0.388 0.000 1.428 34 A CA 0.540 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.081 19.000 -1.416 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.321 115.274 115.700 -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 -0.050 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 0.625 121.929 121.300 0.007 0.000 2.187 36 W HA 0.130 4.790 4.660 -0.000 0.000 0.348 36 W C 1.252 177.769 176.519 -0.003 0.000 1.282 36 W CA -0.193 57.160 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 1.433 122.089 120.500 0.260 0.000 2.509 37 R HA 0.074 4.414 4.340 -0.000 0.000 0.300 37 R C -0.061 176.321 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.434 29.927 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.253 118.551 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 -0.000 0.000 0.290 38 N C 0.510 176.020 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.023 40.552 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.018 118.689 115.700 -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 1.339 59.461 58.200 -0.129 0.000 1.060 39 S CB -0.392 62.761 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 -0.193 4.157 4.350 -0.000 0.000 0.203 40 E C 2.163 178.589 176.600 -0.290 0.000 1.022 40 E CA 1.775 58.029 56.400 -0.243 0.000 0.823 40 E CB -0.643 28.967 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.166 120.226 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.163 4.350 -0.000 0.000 0.196 41 E C 2.086 178.240 176.600 -0.744 0.000 1.003 41 E CA 1.158 57.418 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 1.619 123.579 122.820 -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 52.650 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 -0.194 119.887 120.500 -0.699 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.553 177.600 176.300 -0.422 0.000 1.136 43 R CA 2.088 57.862 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 -2.202 112.137 114.554 -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 1.660 121.961 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.465 176.901 176.300 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 -0.242 120.409 120.500 0.252 0.000 2.811 46 R HA 0.564 4.904 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 -0.841 55.436 56.100 0.294 0.000 1.070 46 R CB -0.749 29.688 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 -0.487 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 1.956 117.554 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.094 175.658 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.249 0.000 1.051 48 S CB 0.598 63.392 63.200 -0.676 0.000 0.986 48 S HN 0.336 nan 8.310 nan 0.000 0.502 49 Q N 2.734 122.552 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.795 176.944 176.000 0.248 0.000 0.933 49 Q CA 0.315 56.198 55.803 0.132 0.000 0.939 49 Q CB -0.325 28.504 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 0.111 0.000 2.444 50 Q HA 0.165 4.505 4.340 -0.000 0.000 0.206 50 Q C -0.016 176.040 176.000 0.094 0.000 0.948 50 Q CA 0.041 55.892 55.803 0.081 0.000 0.946 50 Q CB -0.036 28.643 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 -1.056 175.900 176.870 0.144 0.000 1.004 51 L CA -0.465 54.430 54.840 0.091 0.000 0.823 51 L CB 1.443 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 2.643 123.246 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.014 175.320 176.300 0.058 0.000 0.983 52 R CA -0.482 55.685 56.100 0.113 0.000 0.887 52 R CB 2.219 32.592 30.300 0.121 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 0.871 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.582 63.814 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 0.032 177.122 176.870 0.367 0.000 1.172 54 L CA -0.320 54.600 54.840 0.135 0.000 0.980 54 L CB -0.464 41.656 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.654 120.491 118.700 0.229 0.000 2.518 55 N HA 0.492 5.232 4.740 -0.000 0.000 0.266 55 N C 0.657 176.326 175.510 0.264 0.000 1.196 55 N CA 0.738 53.925 53.050 0.228 0.000 0.947 55 N CB 1.773 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 0.538 109.528 108.800 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 4.846 4.350 -0.000 0.000 0.275 57 E C -0.946 175.917 176.600 0.438 0.000 1.029 57 E CA 0.060 56.651 56.400 0.320 0.000 0.871 57 E CB 0.662 30.464 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.584 122.960 121.300 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 30.553 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 1.965 32.390 30.300 0.208 0.000 1.144 59 R HN 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.376 121.321 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.287 174.378 175.800 -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 4.287 126.176 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.441 174.300 177.584 -1.406 0.000 1.050 61 A CA -0.521 50.836 52.037 -1.133 0.000 0.694 61 A CB 0.469 19.200 19.000 -0.448 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.498 123.061 121.300 -1.229 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.984 174.083 176.519 -0.755 0.000 1.052 62 W CA -0.555 56.264 57.345 -0.876 0.000 1.223 62 W CB 1.323 30.452 29.460 -0.551 0.000 1.383 62 W HN 0.502 nan 8.180 nan 0.000 0.524 63 F N 5.538 124.884 119.950 -1.006 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 -0.774 0.000 0.937 63 F CB 1.547 40.239 39.000 -0.513 0.000 1.250 63 F HN 0.186 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 1.145 64.071 63.100 -0.291 0.000 0.779 64 P CB 0.552 32.328 31.700 0.128 0.000 0.780 65 A N -1.283 121.447 122.820 -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 0.600 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 1.022 178.208 177.300 -0.189 0.000 1.157 66 P CA 1.863 64.807 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 0.747 120.904 120.200 -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 1.579 57.964 56.400 -0.025 0.000 0.810 67 E CB -1.230 28.492 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 1.110 178.590 177.584 -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 18.855 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.016 120.691 119.914 -0.398 0.000 2.834 69 V HA 0.290 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 60.548 62.300 -0.649 0.000 1.052 69 V CB 1.051 32.307 31.823 -0.945 0.000 1.021 69 V HN 0.263 nan 8.190 nan 0.000 0.480 70 P HA 0.438 nan 4.420 nan 0.000 0.306 70 P C 0.175 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.796 33.514 31.700 0.032 0.000 1.013 71 E N 1.443 121.628 120.200 -0.026 0.000 2.187 71 E HA -0.210 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 2.137 58.506 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 0.386 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 1.200 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 2.643 123.860 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 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 1.131 58.382 57.345 -0.156 0.000 1.241 73 W CB -0.684 28.650 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.041 120.972 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.608 179.204 176.870 -0.457 0.000 1.083 74 L CA 1.537 55.964 54.840 -0.689 0.000 0.752 74 L CB -0.716 41.011 42.059 -0.553 0.000 0.899 74 L HN -0.048 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 0.353 176.865 176.600 -0.147 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 0.318 nan 8.360 nan 0.000 0.459 76 C N 1.920 121.150 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.196 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.564 29.293 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.274 121.684 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.125 176.249 176.300 0.125 0.000 1.180 77 D CA 0.443 54.501 54.000 0.096 0.000 0.895 77 D CB 0.671 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.463 123.787 121.223 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 0.637 42.771 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 0.588 177.901 177.300 0.021 0.000 1.156 79 P CA 0.896 64.015 63.100 0.031 0.000 0.855 79 P CB 0.226 31.939 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 56.305 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 1.263 124.088 122.820 0.009 0.000 2.445 81 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 81 A C -0.033 177.581 177.584 0.051 0.000 1.075 81 A CA -0.235 51.810 52.037 0.013 0.000 0.777 81 A CB 0.372 19.407 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.207 120.659 120.400 0.088 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.668 175.721 176.300 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 0.911 115.538 114.554 0.122 0.000 2.767 83 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 83 T C -0.089 174.683 174.700 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 3.420 123.432 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.321 175.877 176.094 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 2.377 122.364 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.081 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.565 33.437 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.784 126.692 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.274 173.738 176.094 -0.136 0.000 1.043 86 V CA -1.736 60.441 62.300 -0.205 0.000 0.888 86 V CB 2.690 34.063 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 -0.970 176.283 177.300 -0.079 0.000 1.258 87 P CA -0.283 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.521 33.136 31.700 -0.141 0.000 1.063 88 S N -0.350 115.324 115.700 -0.043 0.000 2.643 88 S HA 0.391 4.861 4.470 -0.000 0.000 0.266 88 S C -1.486 173.083 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.124 63.312 63.200 -0.019 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.139 119.729 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.526 175.896 175.510 -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 39.025 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.064 124.240 121.300 -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 -0.440 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 0.246 120.057 119.800 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 1.671 57.502 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.167 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.892 118.613 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.413 176.685 176.300 -0.046 0.000 1.092 92 M CA 1.242 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 0.336 nan 8.290 nan 0.000 0.509 93 H N -1.359 117.785 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.258 176.512 175.328 -0.122 0.000 1.089 93 H CA 0.091 56.193 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 0.624 109.464 108.800 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 0.606 45.661 45.100 -0.075 0.000 0.641 94 G HN 0.470 nan 8.290 nan 0.000 0.533 95 Y N 1.814 122.151 120.300 0.061 0.000 2.207 95 Y HA 0.196 4.746 4.550 -0.000 0.000 0.287 95 Y C 1.722 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.640 59.648 58.100 -0.153 0.000 1.182 95 Y CB -0.072 38.307 38.460 -0.134 0.000 0.979 95 Y HN 0.663 nan 8.280 nan 0.000 0.521 96 D N -2.430 118.118 120.400 0.247 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.157 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.377 54.000 0.243 0.000 0.897 96 D CB 0.690 41.798 40.800 0.513 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.347 122.605 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 97 A C -2.413 175.226 177.584 0.091 0.000 1.115 97 A CA -1.134 51.005 52.037 0.169 0.000 0.812 97 A CB 0.094 19.241 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 -0.857 176.578 177.300 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 2.238 123.036 120.570 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 1.803 39.957 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.331 125.611 120.300 -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 -0.522 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.842 38.413 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.963 114.981 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.202 174.368 174.700 -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 -0.433 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.213 118.065 118.700 -0.703 0.000 2.622 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.213 102 N C 1.170 176.381 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.417 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 0.913 120.470 119.914 -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 -0.089 31.236 31.823 -0.830 0.000 0.746 103 V HN 0.280 nan 8.190 nan 0.000 0.476 104 T N 1.140 115.435 114.554 -0.432 0.000 2.871 104 T HA 0.107 4.457 4.350 -0.000 0.000 0.296 104 T C -0.404 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.368 62.290 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 -0.940 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.829 56.149 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 0.127 177.231 177.300 -0.326 0.000 1.148 106 P CA 1.404 64.384 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 -4.839 115.476 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.585 175.390 176.117 -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 2.266 116.722 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 -0.000 0.000 0.302 108 T C 0.142 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.322 61.740 62.100 -0.063 0.000 1.127 108 T CB 0.988 69.850 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 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.649 176.813 176.094 0.117 0.000 1.083 109 V CA -0.180 62.159 62.300 0.064 0.000 0.993 109 V CB -0.388 31.458 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.618 124.459 118.700 0.235 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 0.108 0.000 1.537 110 N CA -1.243 51.917 53.050 0.183 0.000 0.793 110 N CB 1.475 40.117 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 -0.713 61.887 63.100 -0.833 0.000 0.768 111 P CB 0.366 31.391 31.700 -1.125 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.680 176.453 177.300 -0.279 0.000 1.737 112 P CA -0.356 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.209 31.252 31.700 -0.398 0.000 1.572 113 F N -0.329 119.736 119.950 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 -0.963 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 3.695 123.915 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 -0.000 0.000 0.317 114 V C -2.011 174.281 176.094 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 34.025 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 0.807 178.271 177.300 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 0.240 114.917 114.554 0.206 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 2.722 123.038 120.200 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 -0.301 56.213 56.400 0.190 0.000 0.878 117 E CB 0.316 30.133 29.700 0.195 0.000 1.070 117 E HN 0.497 nan 8.360 nan 0.000 0.399 118 N N 3.352 122.156 118.700 0.173 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 -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.117 39.747 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 0.548 63.513 63.100 -0.225 0.000 0.768 119 P CB 0.156 31.974 31.700 0.197 0.000 0.758 120 T N 2.667 116.874 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 120 T C 0.458 174.732 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.283 62.100 -0.455 0.000 1.009 120 T CB 1.688 70.304 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.898 109.425 108.800 -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 -0.335 174.499 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.428 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.175 122.132 119.300 -0.571 0.000 2.281 122 C HA 0.477 4.937 4.460 -0.000 0.000 0.336 122 C C -0.487 174.473 174.990 -0.049 0.000 1.217 122 C CA -1.049 57.637 59.018 -0.554 0.000 1.730 122 C CB -1.756 25.038 27.740 -1.576 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.748 122.253 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 -0.000 0.000 0.330 123 Y C 0.762 177.113 175.900 0.753 0.000 1.133 123 Y CA -0.458 57.987 58.100 0.576 0.000 1.152 123 Y CB 1.369 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 2.852 119.042 115.700 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 2.202 65.635 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 5.281 119.824 114.554 -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 62.043 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 0.469 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 0.694 5.221 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 0.265 nan 8.300 nan 0.000 0.464 128 N N 0.145 118.796 118.700 -0.083 0.000 2.443 128 N HA 0.708 5.447 4.740 -0.000 0.000 0.295 128 N C -1.670 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.157 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 -0.211 175.763 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.195 62.300 -0.150 0.000 0.873 129 V CB 1.599 33.388 31.823 -0.056 0.000 0.992 129 V HN 0.654 nan 8.190 nan 0.000 0.428 130 D N 2.914 123.099 120.400 -0.359 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.178 177.395 176.300 -0.138 0.000 1.142 130 D CA 0.195 54.022 54.000 -0.288 0.000 0.884 130 D CB 1.536 42.084 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.070 121.234 120.200 -0.061 0.000 2.299 131 E HA -0.135 4.215 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 0.815 57.220 56.400 0.008 0.000 0.851 131 E CB -0.194 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 0.389 116.123 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.540 176.238 174.600 0.164 0.000 1.035 132 S CA 1.052 59.316 58.200 0.106 0.000 1.014 132 S CB -0.868 62.400 63.200 0.113 0.000 0.836 132 S HN 0.523 nan 8.310 nan 0.000 0.466 133 W N 1.473 122.645 121.300 -0.213 0.000 2.402 133 W HA 0.281 4.941 4.660 -0.000 0.000 0.286 133 W C 2.227 178.690 176.519 -0.092 0.000 1.221 133 W CA -0.064 57.025 57.345 -0.427 0.000 1.257 133 W CB -0.855 28.363 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.275 121.077 121.223 0.216 0.000 2.291 134 L HA -0.183 4.157 4.340 -0.000 0.000 0.214 134 L C 2.293 179.238 176.870 0.124 0.000 1.120 134 L CA 0.972 55.909 54.840 0.162 0.000 0.799 134 L CB -0.377 41.746 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.327 119.541 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.890 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.007 28.775 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.600 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.336 177.035 176.600 0.164 0.000 0.961 136 E CA 0.006 56.472 56.400 0.110 0.000 0.834 136 E CB 1.041 30.788 29.700 0.079 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.776 109.591 108.800 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 -0.839 173.962 174.900 -0.166 0.000 1.352 137 G CA 0.193 45.191 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.645 118.908 119.800 -0.413 0.000 2.356 138 Q HA 0.653 4.993 4.340 -0.000 0.000 0.270 138 Q C -1.235 174.624 176.000 -0.236 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.916 30.557 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.638 119.203 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.912 173.862 174.700 0.123 0.000 0.992 139 T CA -0.642 61.528 62.100 0.116 0.000 0.957 139 T CB 0.705 69.772 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.366 123.917 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.310 175.033 176.300 0.072 0.000 0.993 140 R CA -0.951 55.204 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.711 123.313 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.995 175.043 176.117 -0.133 0.000 0.995 141 I CA -1.448 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.507 39.430 38.000 -0.129 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.590 126.972 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.292 174.548 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.752 39.677 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 0.253 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 57.489 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 2.394 122.764 120.400 -0.051 0.000 2.264 144 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 144 D C 0.947 177.103 176.300 -0.240 0.000 0.966 144 D CA 0.904 54.813 54.000 -0.150 0.000 0.864 144 D CB 0.361 41.039 40.800 -0.203 0.000 0.933 144 D HN 0.649 nan 8.370 nan 0.000 0.499 145 G N -0.698 107.885 108.800 -0.363 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 2.456 122.182 119.914 -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 1.852 33.272 31.823 -0.672 0.000 1.004 146 V HN 0.783 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 0.663 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.045 0.000 0.880 147 N CB 2.420 40.848 38.487 -0.098 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.429 118.105 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.549 175.215 174.600 0.111 0.000 1.061 148 S CA 0.339 58.568 58.200 0.050 0.000 0.935 148 S CB 0.049 63.295 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 -1.034 176.707 177.584 0.261 0.000 1.147 149 A CA -0.974 51.134 52.037 0.118 0.000 0.750 149 A CB 1.094 20.185 19.000 0.150 0.000 1.331 149 A HN 1.235 nan 8.150 nan 0.000 0.419 150 F N -1.128 118.729 119.950 -0.154 0.000 2.746 150 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 150 F C -1.468 174.371 175.800 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 1.904 121.146 119.070 0.286 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 2.352 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 2.102 123.229 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.864 174.678 176.870 -0.546 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 4.182 125.445 121.300 -0.062 0.000 2.936 153 W HA 0.631 5.291 4.660 -0.000 0.000 0.338 153 W C -1.235 175.210 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.103 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 4.974 124.342 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.091 175.178 174.990 0.162 0.000 1.166 154 C CA -0.388 58.679 59.018 0.081 0.000 1.341 154 C CB -0.414 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 3.726 122.489 118.700 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 -1.301 37.228 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.325 107.516 108.800 0.069 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 -0.854 119.873 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.066 176.535 176.300 0.501 0.000 1.004 157 R CA -0.879 55.522 56.100 0.503 0.000 0.902 157 R CB 0.670 31.298 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 4.001 125.454 121.300 0.255 0.000 2.251 158 W HA 0.092 4.752 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 0.060 57.149 57.345 -0.427 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 4.955 123.820 119.914 -1.749 0.000 2.948 159 V HA 0.579 4.699 4.120 -0.000 0.000 0.234 159 V C 0.941 175.927 176.094 -1.846 0.000 1.205 159 V CA 0.795 62.208 62.300 -1.477 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 -1.699 105.904 108.800 -1.996 0.000 2.554 160 G HA2 0.525 4.485 3.960 -0.000 0.000 0.306 160 G HA3 0.525 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 -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.657 119.593 120.300 -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 -0.217 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.333 40.729 38.460 -0.108 0.000 1.297 161 Y HN 1.191 nan 8.280 nan 0.000 0.467 162 G N 3.318 111.359 108.800 -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 -2.175 172.282 174.900 -0.738 0.000 1.436 162 G CA -0.905 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 -1.359 174.637 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.782 31.483 28.738 -0.062 0.000 1.444 163 Q HN 0.653 nan 8.270 nan 0.000 0.443 164 D N -0.076 120.359 120.400 0.058 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 -0.701 40.136 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.078 118.854 115.700 0.127 0.000 2.465 165 S HA -0.160 4.310 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 0.149 0.000 0.763 165 S HN 0.568 nan 8.310 nan 0.000 0.512 166 R N 0.233 120.823 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.055 176.417 176.300 0.102 0.000 0.905 166 R CA 0.045 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.028 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.277 122.538 121.223 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 52.410 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 0.133 nan 4.420 nan 0.000 0.269 168 P C -1.143 176.144 177.300 -0.021 0.000 1.215 168 P CA -0.220 62.851 63.100 -0.048 0.000 0.780 168 P CB 0.794 32.426 31.700 -0.113 0.000 0.898 169 S N 1.107 116.847 115.700 0.066 0.000 2.561 169 S HA 0.361 4.831 4.470 -0.000 0.000 0.303 169 S C -0.735 173.868 174.600 0.005 0.000 1.110 169 S CA -0.615 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 1.906 121.930 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.505 174.797 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.657 56.400 -0.209 0.000 0.769 170 E CB 1.689 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.335 120.302 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 -0.000 0.000 0.311 171 F C -0.183 175.619 175.800 0.004 0.000 1.094 171 F CA -1.202 56.800 58.000 0.003 0.000 0.923 171 F CB 1.356 40.333 39.000 -0.037 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.424 122.960 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.463 176.888 176.300 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 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.515 123.859 121.223 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 2.056 60.381 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 -0.826 122.101 122.820 0.179 0.000 2.251 175 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 175 A C 0.982 178.426 177.584 -0.235 0.000 1.187 175 A CA 0.239 52.221 52.037 -0.090 0.000 0.823 175 A CB -0.259 18.548 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.960 119.024 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 176 F C 0.285 176.114 175.800 0.048 0.000 1.096 176 F CA -0.681 57.349 58.000 0.051 0.000 1.219 176 F CB -0.053 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 1.907 123.278 121.223 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 -0.445 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 1.589 122.097 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.526 175.750 176.300 -0.040 0.000 0.993 178 R CA -0.934 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.717 31.992 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.824 123.624 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.470 177.584 -0.084 0.000 1.082 179 A CA 0.773 52.782 52.037 -0.048 0.000 0.785 179 A CB -0.042 18.939 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.790 109.527 108.800 -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 0.353 45.377 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.359 122.447 120.200 -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 3.058 121.405 118.700 -0.588 0.000 2.321 182 N HA 0.414 5.154 4.740 -0.000 0.000 0.290 182 N C -0.844 174.347 175.510 -0.533 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.384 40.385 38.487 -0.809 0.000 1.494 182 N HN 0.253 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 -1.333 175.035 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.303 31.562 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.902 124.250 121.223 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 3.781 126.695 122.820 0.157 0.000 2.410 185 A HA 0.675 4.995 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 1.191 19.622 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.316 123.691 119.914 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 -0.321 62.405 62.300 0.710 0.000 0.841 186 V CB 1.251 33.293 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.282 126.361 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.438 175.105 176.300 0.404 0.000 1.111 187 M CA -0.272 55.325 55.300 0.496 0.000 1.017 187 M CB 1.237 34.163 32.600 0.545 0.000 1.568 187 M HN 0.470 nan 8.290 nan 0.000 0.445 188 V N 6.721 126.808 119.914 0.287 0.000 2.472 188 V HA 0.529 4.649 4.120 -0.000 0.000 0.290 188 V C -0.183 176.049 176.094 0.229 0.000 1.037 188 V CA -0.769 61.694 62.300 0.272 0.000 0.908 188 V CB 1.631 33.618 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.805 124.118 121.223 0.149 0.000 2.362 189 L HA 0.672 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 1.777 43.747 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 -0.211 175.692 176.300 -0.662 0.000 1.140 190 R CA 1.770 57.426 56.100 -0.739 0.000 0.920 190 R CB 0.012 29.535 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.363 121.722 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 -0.000 0.000 0.336 191 W C 0.142 176.779 176.519 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 30.591 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 0.489 0.000 2.636 192 S HA 0.160 4.630 4.470 -0.000 0.000 0.268 192 S C 0.018 174.879 174.600 0.435 0.000 1.159 192 S CA -0.489 58.007 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 0.632 nan 8.310 nan 0.000 0.471 193 D N 0.801 121.452 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.898 178.489 176.300 0.485 0.000 0.980 193 D CA 1.307 55.582 54.000 0.460 0.000 0.842 193 D CB -0.837 40.117 40.800 0.257 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.199 109.209 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.051 46.328 45.100 0.296 0.000 0.755 194 G HN 0.338 nan 8.290 nan 0.000 0.565 195 S N 0.040 115.909 115.700 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 59.470 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 1.262 121.659 120.300 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 0.156 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 -0.134 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.045 121.365 121.223 0.313 0.000 2.700 197 L HA 0.125 4.464 4.340 -0.000 0.000 0.234 197 L C -0.071 176.937 176.870 0.229 0.000 1.156 197 L CA 0.368 55.349 54.840 0.235 0.000 0.946 197 L CB 0.001 42.195 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.406 119.948 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.216 198 E C -0.468 176.247 176.600 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 1.292 121.770 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -0.013 0.000 1.192 199 D CA -0.043 53.923 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.630 40.800 -0.444 0.000 0.975 199 D HN 0.078 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 0.058 4.398 4.340 -0.000 0.000 0.287 200 Q C -0.115 175.978 176.000 0.155 0.000 1.044 200 Q CA 0.244 56.186 55.803 0.232 0.000 0.918 200 Q CB 0.516 29.532 28.738 0.463 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.425 123.929 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 201 D C -0.666 175.752 176.300 0.197 0.000 1.257 201 D CA 0.059 54.120 54.000 0.103 0.000 1.027 201 D CB -0.320 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 0.433 120.109 119.600 0.127 0.000 3.008 202 M HA 0.459 4.939 4.480 -0.000 0.000 0.271 202 M C -1.278 175.113 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.059 33.630 32.600 -0.050 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.988 123.359 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 -0.000 0.000 0.326 203 W C 0.127 176.655 176.519 0.014 0.000 1.319 203 W CA -0.212 57.193 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 4.967 125.649 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 -0.000 0.000 0.340 204 R C -0.130 176.204 176.300 0.057 0.000 1.043 204 R CA -0.184 56.020 56.100 0.172 0.000 0.883 204 R CB 0.246 30.693 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 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.305 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.515 174.600 -0.735 0.000 1.131 206 S CA -0.307 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 -0.370 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 -0.062 0.000 1.274 207 G CA -0.574 44.528 45.100 0.004 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.112 122.525 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.002 176.989 176.117 -0.217 0.000 1.107 208 I CA -0.309 60.742 61.300 -0.416 0.000 1.219 208 I CB -0.059 37.484 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.721 123.528 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.661 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.518 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.076 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 0.720 120.809 120.500 -0.685 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.890 175.261 176.300 -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 0.670 120.996 120.400 -0.124 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 54.492 54.000 -0.073 0.000 0.875 211 D CB 0.428 41.217 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.780 120.664 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.586 61.668 62.300 -0.077 0.000 0.877 212 V CB 1.770 33.614 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.421 120.033 115.700 -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 57.213 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 1.322 122.565 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 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 44.058 42.059 0.278 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.469 123.755 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.959 175.811 176.870 -0.168 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.006 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 4.173 122.920 119.070 -0.540 0.000 2.581 216 H HA 0.555 5.110 4.556 -0.000 0.000 0.308 216 H C -1.116 173.924 175.328 -0.480 0.000 1.040 216 H CA -0.130 55.427 56.048 -0.819 0.000 1.231 216 H CB 0.785 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 5.599 125.505 120.400 -0.825 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.837 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 -0.031 62.911 63.100 -0.264 0.000 0.785 218 P CB 0.441 32.039 31.700 -0.171 0.000 0.923 219 T N -2.003 112.452 114.554 -0.164 0.000 2.821 219 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 219 T C 0.692 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.311 63.332 62.100 -0.132 0.000 1.139 219 T CB -0.837 67.980 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.313 117.786 114.554 -0.134 0.000 2.801 220 T HA 0.479 4.829 4.350 -0.000 0.000 0.306 220 T C -0.346 174.254 174.700 -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 69.633 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.589 122.274 119.800 -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 -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.334 29.913 28.738 -0.266 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.746 123.171 120.570 -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 61.333 61.300 -0.219 0.000 1.387 222 I CB 0.969 38.812 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.138 118.754 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.231 174.937 174.600 0.177 0.000 1.011 223 S CA -0.098 58.053 58.200 -0.082 0.000 0.921 223 S CB 0.252 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 -0.601 119.953 120.400 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 0.990 41.920 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.338 119.618 119.950 0.011 0.000 2.678 225 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 225 F C -1.516 174.228 175.800 -0.093 0.000 1.118 225 F CA -0.801 57.098 58.000 -0.167 0.000 0.959 225 F CB 1.418 40.405 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.902 119.973 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.373 173.937 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.603 32.312 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.066 121.021 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.463 175.608 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.665 62.300 0.013 0.000 0.931 227 V CB 1.623 33.431 31.823 -0.025 0.000 1.010 227 V HN 0.986 nan 8.190 nan 0.000 0.433 228 A N 2.131 124.908 122.820 -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 2.056 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 -0.364 174.148 174.700 -0.313 0.000 0.999 229 T CA -0.706 61.227 62.100 -0.279 0.000 0.983 229 T CB 1.589 70.254 68.868 -0.339 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.384 121.583 120.500 -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 31.722 30.300 -0.176 0.000 1.187 230 R HN 0.608 nan 8.270 nan 0.000 0.464 231 F N 0.569 120.518 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.517 176.207 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.854 39.741 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.187 118.892 118.700 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.406 175.780 175.510 -0.227 0.000 1.205 232 N CA -0.161 52.842 53.050 -0.078 0.000 0.974 232 N CB 0.632 39.097 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.597 119.703 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.372 176.535 176.300 -0.230 0.000 0.998 233 D CA 1.694 55.580 54.000 -0.189 0.000 0.885 233 D CB -0.361 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 -1.949 118.357 120.400 -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 0.037 0.000 0.832 234 D CB -1.045 39.805 40.800 0.083 0.000 1.008 234 D HN 0.215 nan 8.370 nan 0.000 0.506 235 F N 0.463 120.468 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 -0.000 0.000 0.287 235 F C 1.650 177.523 175.800 0.121 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.473 36.501 39.000 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.351 115.456 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 236 S C 0.646 175.299 174.600 0.090 0.000 0.985 236 S CA 0.061 58.335 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 0.457 121.019 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.226 175.096 176.300 0.037 0.000 1.071 237 R CA -0.290 55.834 56.100 0.040 0.000 0.915 237 R CB 1.256 31.556 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.336 124.117 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 238 A C -1.058 176.433 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.207 0.000 0.775 238 A CB 2.157 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 1.326 121.120 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.080 174.959 176.094 -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 33.103 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.319 126.525 121.223 -0.029 0.000 2.276 240 L HA 0.605 4.945 4.340 -0.000 0.000 0.286 240 L C -0.027 176.807 176.870 -0.061 0.000 1.061 240 L CA 0.239 55.048 54.840 -0.052 0.000 0.807 240 L CB 1.037 43.090 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.842 124.999 120.200 -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 0.832 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 -0.891 176.685 177.584 -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 2.210 122.401 120.200 -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 -0.097 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.978 123.827 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 244 V C -0.575 175.526 176.094 0.011 0.000 1.043 244 V CA -0.827 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.697 33.461 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.166 124.008 119.800 0.070 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.256 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.129 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 -0.880 118.782 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.314 174.894 176.300 -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 34.483 32.600 -0.388 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.513 120.711 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.559 175.444 174.990 -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 1.305 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 -1.209 173.602 174.900 -0.148 0.000 1.299 248 G CA -0.483 44.529 45.100 -0.147 0.000 1.117 248 G HN 0.744 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 0.340 176.826 176.600 -0.190 0.000 1.031 249 E CA -0.400 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 5.307 126.416 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.004 176.748 176.870 -0.198 0.000 1.144 250 L CA 0.115 54.811 54.840 -0.239 0.000 0.863 250 L CB 0.213 42.149 42.059 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.576 122.902 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.070 176.038 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.294 0.000 0.898 251 R CB 1.665 31.605 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.383 121.729 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 -0.000 0.000 0.222 252 D C 0.860 177.179 176.300 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 0.393 4.943 4.550 -0.000 0.000 0.268 253 Y C 0.856 176.753 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 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 2.931 123.944 121.223 -0.349 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 -0.191 54.508 54.840 -0.235 0.000 0.825 254 L CB 0.626 42.545 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.038 122.381 120.500 -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 2.370 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 3.438 118.053 114.554 0.102 0.000 2.881 257 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 257 T C -0.850 173.861 174.700 0.019 0.000 1.000 257 T CA -0.491 61.663 62.100 0.089 0.000 0.978 257 T CB 1.862 70.818 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.301 123.210 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.335 175.751 176.094 -0.013 0.000 1.034 258 V CA -0.839 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 5.201 120.916 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.070 173.533 174.600 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 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.227 123.340 121.223 -0.183 0.000 2.322 260 L HA 0.747 5.087 4.340 -0.000 0.000 0.281 260 L C -1.808 174.938 176.870 -0.207 0.000 1.014 260 L CA -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.734 42.784 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.082 124.481 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 -0.000 0.000 0.337 261 W C -0.555 176.096 176.519 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 31.075 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.421 122.462 119.800 0.402 0.000 2.721 262 Q HA 0.491 4.830 4.340 -0.000 0.000 0.257 262 Q C 0.733 176.816 176.000 0.139 0.000 1.070 262 Q CA 0.639 56.533 55.803 0.152 0.000 0.910 262 Q CB 0.319 29.110 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.333 111.208 108.800 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 0.779 175.754 174.900 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 1.375 121.649 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 264 E C 1.507 178.314 176.600 0.345 0.000 0.987 264 E CA 1.033 57.522 56.400 0.149 0.000 0.841 264 E CB -0.309 29.441 29.700 0.084 0.000 0.783 264 E HN 0.493 nan 8.360 nan 0.000 0.481 265 T N 1.252 115.992 114.554 0.310 0.000 2.856 265 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 265 T C 0.045 174.863 174.700 0.197 0.000 0.980 265 T CA -0.365 61.889 62.100 0.256 0.000 1.091 265 T CB 1.448 70.382 68.868 0.110 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.757 122.401 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 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 -0.451 54.758 55.803 -0.990 0.000 0.934 266 Q CB 0.924 28.687 28.738 -1.626 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.849 121.559 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.508 176.496 176.094 -0.176 0.000 1.068 267 V CA 0.814 63.022 62.300 -0.152 0.000 1.088 267 V CB -0.196 31.624 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.115 121.557 122.820 -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 -0.004 51.921 52.037 -0.187 0.000 0.693 268 A CB 1.663 20.590 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.954 114.655 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 -0.000 0.000 0.275 269 S C -0.412 174.142 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.990 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.263 nan 8.310 nan 0.000 0.472 270 G N 1.161 109.928 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.518 173.366 174.900 -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 -0.134 114.408 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 -0.000 0.000 0.293 271 T C -0.198 174.482 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.245 62.100 -0.001 0.000 0.988 271 T CB 1.838 70.738 68.868 0.052 0.000 1.043 271 T HN 1.765 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 -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.114 20.044 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 -0.738 176.494 177.300 -0.114 0.000 1.293 273 P CA -0.490 62.562 63.100 -0.081 0.000 0.897 273 P CB 0.514 32.208 31.700 -0.009 0.000 1.166 274 F N 0.610 120.511 119.950 -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 1.815 59.778 58.000 -0.062 0.000 1.330 274 F CB -0.267 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 0.835 109.753 108.800 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 -0.472 174.468 174.900 0.067 0.000 1.192 275 G CA -0.782 44.390 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.654 109.511 108.800 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 0.073 175.005 174.900 0.054 0.000 1.310 276 G CA -0.333 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 -0.849 119.380 120.200 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 -0.642 55.775 56.400 0.029 0.000 0.913 277 E CB 0.817 30.529 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 1.037 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.985 61.300 0.001 0.000 1.430 278 I CB 0.189 38.186 38.000 -0.006 0.000 1.367 278 I HN 0.650 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 -0.178 175.938 176.117 -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 -0.373 120.012 120.400 -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 -0.460 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 -0.870 119.316 120.200 -0.023 0.000 2.209 281 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 281 E C 1.522 178.103 176.600 -0.031 0.000 0.993 281 E CA 1.133 57.520 56.400 -0.023 0.000 0.819 281 E CB -0.052 29.638 29.700 -0.017 0.000 0.745 281 E HN 0.253 nan 8.360 nan 0.000 0.477 282 R N -0.411 120.062 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 -0.000 0.000 0.199 282 R C 0.956 177.215 176.300 -0.069 0.000 0.920 282 R CA 0.727 56.793 56.100 -0.056 0.000 1.046 282 R CB 0.761 31.022 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.376 108.382 108.800 -0.070 0.000 2.301 283 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G C -0.392 174.449 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.427 nan 8.290 nan 0.000 0.524 284 G N -1.829 106.907 108.800 -0.107 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 -1.611 173.153 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.284 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.836 121.151 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.369 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.024 58.145 58.100 0.035 0.000 1.180 285 Y CB 1.857 40.344 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.830 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.324 179.006 177.584 0.162 0.000 1.169 286 A CA 1.471 53.574 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 53.989 54.000 0.104 0.000 0.827 287 D CB -0.084 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 0.098 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 0.074 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 0.500 4.620 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 2.754 34.268 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.922 121.402 114.554 -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 1.225 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 2.810 123.987 121.223 -0.077 0.000 2.330 291 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 291 L C 0.382 177.221 176.870 -0.052 0.000 1.013 291 L CA -0.708 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.304 43.319 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.729 123.198 120.500 -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 1.360 31.632 30.300 -0.046 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.764 123.959 121.223 -0.047 0.000 2.317 293 L HA 0.448 4.788 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 -0.914 53.897 54.840 -0.049 0.000 0.810 293 L CB 1.425 43.456 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.021 120.685 118.700 -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 -0.084 0.000 1.083 294 N CA -0.336 52.674 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 1.864 121.713 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.149 175.864 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.352 62.300 -0.160 0.000 0.863 295 V CB 2.151 33.789 31.823 -0.309 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.623 123.766 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.017 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.352 56.014 56.400 -0.056 0.000 0.852 296 E CB 0.724 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 1.311 120.002 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.149 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.450 53.050 0.009 0.000 0.759 297 N CB -1.404 37.093 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 0.111 177.416 177.300 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 -0.599 0.000 0.923 299 K N 1.398 121.890 120.400 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 32.765 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.714 124.013 121.223 0.126 0.000 2.395 300 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 300 L C -0.067 176.879 176.870 0.127 0.000 1.133 300 L CA -0.726 54.194 54.840 0.133 0.000 0.812 300 L CB 0.498 42.475 42.059 -0.138 0.000 1.125 300 L HN 0.618 nan 8.230 nan 0.000 0.452 301 W N 3.099 124.425 121.300 0.044 0.000 2.381 301 W HA 0.504 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 30.904 29.460 0.095 0.000 1.199 301 W HN 0.629 nan 8.180 nan 0.000 0.579 302 S N 2.883 117.886 115.700 -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 -1.312 0.000 1.145 302 S CA -0.344 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 1.145 nan 8.310 nan 0.000 0.461 303 A N 0.802 123.056 122.820 -0.943 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 -0.548 0.000 1.164 303 A CA 1.686 53.152 52.037 -0.952 0.000 0.644 303 A CB -1.029 17.226 19.000 -1.242 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.866 119.146 120.200 -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 0.912 121.275 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -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 -0.203 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 -0.047 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 1.577 120.267 118.700 -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 2.196 123.530 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.843 176.086 176.870 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 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.158 120.269 120.300 0.213 0.000 2.605 309 Y HA 0.578 5.128 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.643 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.112 40.758 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.136 121.869 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.534 174.956 176.300 0.316 0.000 0.961 310 R CA -0.678 55.582 56.100 0.266 0.000 0.881 310 R CB 1.205 31.582 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.542 126.491 122.820 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 1.601 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 0.126 0.000 2.487 312 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 312 V C -0.438 175.641 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.444 33.291 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.805 124.642 119.914 -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 -0.093 0.000 1.017 313 V CA -0.483 61.712 62.300 -0.174 0.000 0.823 313 V CB 1.008 32.574 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 -1.066 175.638 176.600 0.173 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.710 32.465 29.700 0.091 0.000 1.131 314 E HN 0.406 nan 8.360 nan 0.000 0.411 315 L N 5.451 126.740 121.223 0.110 0.000 2.255 315 L HA 0.284 4.624 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 -0.234 41.830 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 -0.910 174.453 175.328 0.059 0.000 1.323 316 H CA -0.328 55.742 56.048 0.038 0.000 1.144 316 H CB 0.886 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 -2.856 111.826 114.554 0.214 0.000 2.881 317 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 317 T C 1.465 176.336 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.386 70.445 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.034 123.996 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.856 179.539 177.584 0.166 0.000 1.176 318 A CA 2.095 54.246 52.037 0.191 0.000 0.631 318 A CB -1.426 17.670 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.458 118.027 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.486 55.539 54.000 0.088 0.000 0.847 319 D CB -0.260 40.572 40.800 0.054 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.478 107.402 108.800 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 1.915 116.538 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.247 175.033 174.700 0.144 0.000 0.956 321 T CA 0.008 62.169 62.100 0.102 0.000 1.123 321 T CB 1.566 70.491 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.979 126.261 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.585 177.513 176.870 0.097 0.000 1.106 322 L CA 0.130 55.041 54.840 0.118 0.000 0.824 322 L CB 0.324 42.422 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.122 123.749 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.624 176.754 176.117 0.021 0.000 1.112 323 I CA 0.931 62.257 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 -0.732 119.486 120.200 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 0.949 30.625 29.700 -0.040 0.000 1.335 324 E HN -0.070 nan 8.360 nan 0.000 0.436 325 A N 0.918 123.792 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.971 21.018 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.533 119.722 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.625 175.991 176.600 0.027 0.000 0.918 326 E CA -0.473 56.039 56.400 0.187 0.000 0.773 326 E CB 2.487 32.226 29.700 0.065 0.000 1.275 326 E HN 1.189 nan 8.360 nan 0.000 0.451 327 A N 0.177 123.127 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.157 176.606 177.584 0.300 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 -0.785 118.649 119.300 0.223 0.000 3.303 328 C HA 0.689 5.148 4.460 -0.000 0.000 0.340 328 C C -1.629 173.442 174.990 0.136 0.000 1.274 328 C CA -0.999 58.142 59.018 0.205 0.000 1.234 328 C CB 0.799 28.676 27.740 0.228 0.000 1.532 328 C HN 0.847 nan 8.230 nan 0.000 0.483 329 D N 0.970 121.427 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.474 175.860 176.300 0.056 0.000 1.094 329 D CA 0.137 54.195 54.000 0.096 0.000 0.897 329 D CB 2.113 42.970 40.800 0.095 0.000 1.200 329 D HN 0.521 nan 8.370 nan 0.000 0.429 330 V N 0.749 120.727 119.914 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 2.184 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 2.761 111.496 108.800 -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 -1.258 173.631 174.900 -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 2.277 122.410 119.950 0.305 0.000 2.413 332 F HA 0.562 5.089 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.095 40.345 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.233 122.021 120.500 0.480 0.000 2.664 333 R HA 0.483 4.823 4.340 -0.000 0.000 0.266 333 R C -1.721 174.721 176.300 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 0.466 nan 8.270 nan 0.000 0.465 334 E N 2.017 122.260 120.200 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 55.518 56.400 0.172 0.000 0.759 334 E CB 2.118 31.969 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.526 125.499 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.212 175.918 176.094 0.060 0.000 1.020 335 V CA -0.531 61.802 62.300 0.054 0.000 0.850 335 V CB 1.127 32.963 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.420 124.952 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.008 174.315 176.300 0.038 0.000 1.026 336 R CA -0.868 55.264 56.100 0.054 0.000 0.889 336 R CB 1.714 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.967 122.559 120.570 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 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.436 126.652 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.077 30.798 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.367 122.078 118.700 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 2.092 55.150 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 -2.206 106.598 108.800 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 -0.016 121.203 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.050 176.810 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.903 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 3.984 125.186 121.223 -0.035 0.000 2.278 342 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 342 L C -0.914 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.325 55.144 54.840 -0.035 0.000 0.819 342 L CB 0.479 42.504 42.059 -0.056 0.000 1.176 342 L HN 0.389 nan 8.230 nan 0.000 0.435 343 L N 5.943 127.159 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.807 176.068 176.870 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 3.321 124.558 121.223 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 54.609 54.840 0.045 0.000 0.833 344 L CB 0.972 43.048 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.110 122.758 118.700 -0.087 0.000 2.727 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 345 N C 0.816 176.124 175.510 -0.337 0.000 1.048 345 N CA 1.403 54.167 53.050 -0.477 0.000 0.714 345 N CB -1.072 37.012 38.487 -0.672 0.000 0.959 345 N HN 1.153 nan 8.380 nan 0.000 0.544 346 G N -2.157 106.666 108.800 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 0.019 174.970 174.900 0.084 0.000 1.021 346 G CA 0.672 45.859 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.231 121.670 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.041 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.270 56.287 -0.011 0.000 0.890 347 K CB 2.210 34.628 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 0.684 32.347 31.700 -0.063 0.000 0.929 349 L N 3.410 124.569 121.223 -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 0.427 42.376 42.059 -0.183 0.000 1.118 349 L HN 0.234 nan 8.230 nan 0.000 0.471 350 L N 3.118 124.276 121.223 -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 54.493 54.840 -0.128 0.000 0.883 350 L CB 0.866 42.881 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.317 124.768 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.315 61.500 61.300 -0.190 0.000 1.387 351 I CB 0.287 38.048 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.788 125.301 120.500 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 0.817 31.032 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 0.482 4.602 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 2.289 34.070 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.879 122.640 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.830 174.492 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.799 40.221 38.487 -0.109 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.587 121.861 120.500 -0.378 0.000 2.522 356 R HA 0.247 4.586 4.340 -0.000 0.000 0.283 356 R C -1.198 174.865 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.335 0.000 0.925 356 R CB 1.020 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 2.002 120.943 119.070 -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 -0.218 55.785 56.048 -0.074 0.000 1.322 357 H CB 1.646 31.416 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.633 122.027 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 -0.000 0.000 0.274 358 E C -0.773 175.964 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.223 30.023 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.561 120.680 119.070 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 -0.693 55.396 56.048 0.069 0.000 1.253 359 H CB 1.081 30.878 29.762 0.058 0.000 1.757 359 H HN 0.366 nan 8.280 nan 0.000 0.523 360 H N 6.502 125.198 119.070 -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 -2.453 53.288 56.048 -0.511 0.000 1.257 360 H CB 2.494 32.090 29.762 -0.276 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.135 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 1.011 63.892 63.100 -0.365 0.000 0.813 361 P CB 0.750 32.265 31.700 -0.309 0.000 0.778 362 L N -2.126 119.108 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.462 179.270 176.870 -0.103 0.000 1.064 362 L CA 0.615 55.416 54.840 -0.065 0.000 0.821 362 L CB -0.756 41.157 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.310 118.729 119.070 -0.052 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 -0.246 0.000 1.163 363 H CB 0.307 29.800 29.762 -0.448 0.000 1.381 363 H HN 0.446 nan 8.280 nan 0.000 0.581 364 G N 1.437 110.157 108.800 -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 0.498 175.312 174.900 -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 0.117 119.842 119.800 -0.124 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.298 176.333 176.000 0.058 0.000 0.896 365 Q CA -0.043 55.715 55.803 -0.075 0.000 0.950 365 Q CB 0.764 29.351 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.828 121.780 119.914 0.062 0.000 2.432 366 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 366 V C 0.141 176.273 176.094 0.063 0.000 1.043 366 V CA -0.203 62.155 62.300 0.096 0.000 0.925 366 V CB 1.032 32.867 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.415 124.046 119.600 0.053 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.561 175.682 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.743 55.300 -0.018 0.000 1.000 367 M CB 1.651 34.207 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.124 118.234 120.400 -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 1.422 42.220 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.317 120.518 120.200 0.001 0.000 2.082 369 E HA -0.431 3.919 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 2.175 58.613 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 -0.654 119.197 119.800 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 58.566 55.803 0.095 0.000 0.866 370 Q CB -0.436 28.359 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.187 115.812 114.554 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 1.776 63.956 62.100 0.134 0.000 1.159 371 T CB -0.319 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 0.652 120.338 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.924 176.300 0.215 0.000 1.072 372 M CA 1.717 57.173 55.300 0.259 0.000 1.090 372 M CB -1.013 31.770 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.097 119.890 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.302 178.396 176.094 0.000 0.000 1.059 373 V CA 2.035 64.341 62.300 0.010 0.000 1.051 373 V CB -0.966 30.882 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.270 119.574 119.800 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 2.266 58.126 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.627 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.243 120.746 120.400 0.172 0.000 2.106 375 D HA -0.197 4.443 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 1.278 55.388 54.000 0.183 0.000 0.834 375 D CB -0.374 40.517 40.800 0.151 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.604 121.134 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.526 178.522 176.117 -0.202 0.000 1.070 376 I CA 0.873 62.033 61.300 -0.234 0.000 1.327 376 I CB -0.361 37.395 38.000 -0.408 0.000 1.034 376 I HN 0.023 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 2.623 179.558 176.870 0.107 0.000 1.076 377 L CA 1.367 56.202 54.840 -0.008 0.000 0.749 377 L CB -0.599 41.475 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.926 120.385 121.223 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 1.601 56.606 54.840 0.275 0.000 0.749 378 L CB -0.407 41.941 42.059 0.481 0.000 0.890 378 L HN 0.324 nan 8.230 nan 0.000 0.431 379 M N -0.558 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 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 31.778 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.240 120.612 120.400 -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 -0.034 0.000 1.048 380 K CA 1.655 57.809 56.287 -0.221 0.000 0.926 380 K CB -0.346 31.820 32.500 -0.556 0.000 0.713 380 K HN 0.536 nan 8.250 nan 0.000 0.444 381 Q N 0.170 120.114 119.800 0.239 0.000 2.291 381 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 381 Q C 0.860 177.145 176.000 0.476 0.000 0.970 381 Q CA 0.735 56.800 55.803 0.437 0.000 0.876 381 Q CB 0.065 29.029 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.848 119.798 118.700 0.415 0.000 2.320 382 N HA 0.053 4.793 4.740 -0.000 0.000 0.237 382 N C -0.686 174.972 175.510 0.247 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.618 39.415 38.487 0.518 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.193 119.022 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 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 0.841 53.930 53.050 0.064 0.000 0.711 383 N CB -1.771 36.636 38.487 -0.133 0.000 1.065 383 N HN 0.261 nan 8.380 nan 0.000 0.556 384 F N 0.986 120.950 119.950 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 0.290 119.115 118.700 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 0.032 53.139 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 -0.436 122.514 122.820 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 1.728 20.959 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.692 120.861 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.931 175.269 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.337 0.000 0.974 387 V CB 1.994 33.910 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 0.511 4.851 4.340 -0.000 0.000 0.314 388 R C -0.833 175.317 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.224 31.059 30.300 -0.775 0.000 1.147 388 R HN 0.858 nan 8.270 nan 0.000 0.447 389 C N 4.278 123.460 119.300 -0.197 0.000 3.183 389 C HA 0.106 4.566 4.460 -0.000 0.000 0.545 389 C C 0.550 175.243 174.990 -0.495 0.000 1.044 389 C CA -0.468 58.381 59.018 -0.283 0.000 1.117 389 C CB -2.137 25.544 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.491 116.771 115.700 -0.700 0.000 2.465 390 S HA 0.186 4.656 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 0.111 57.594 58.200 -1.195 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 3.433 121.854 119.070 -1.082 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.994 175.328 -0.239 0.000 1.422 391 H CA -0.359 55.447 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 -2.695 117.705 120.300 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 -3.040 55.165 58.100 0.175 0.000 1.088 392 Y CB 0.008 38.575 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.489 0.000 1.218 393 P CA 0.055 63.414 63.100 0.431 0.000 0.780 393 P CB 0.678 32.567 31.700 0.316 0.000 0.901 394 N N 0.155 119.155 118.700 0.501 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.005 175.765 175.510 0.417 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.386 38.815 38.487 -0.097 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.210 121.390 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.716 173.815 175.328 0.340 0.000 1.002 395 H CA -1.121 55.045 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 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 1.021 64.340 63.100 0.364 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.178 120.422 121.223 0.629 0.000 2.081 397 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 397 L C 2.414 179.533 176.870 0.414 0.000 1.080 397 L CA 1.668 56.819 54.840 0.518 0.000 0.754 397 L CB -1.430 40.939 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 -0.408 4.252 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 59.570 57.345 -0.077 0.000 1.262 398 W CB -0.594 28.679 29.460 -0.312 0.000 1.151 398 W HN 0.285 nan 8.180 nan 0.000 0.473 399 Y N 0.710 120.987 120.300 -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 2.253 60.086 58.100 -0.444 0.000 1.181 399 Y CB -1.469 36.431 38.460 -0.934 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 1.379 63.569 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 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.696 121.223 0.022 0.000 2.042 401 L HA -0.149 4.191 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 1.068 55.944 54.840 0.060 0.000 0.749 401 L CB -0.775 41.300 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.343 118.787 119.300 -0.284 0.000 2.425 402 C HA -0.152 4.308 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 0.391 59.254 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 0.418 120.833 120.400 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 1.314 55.392 54.000 0.129 0.000 0.833 403 D CB -0.323 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 -0.854 119.702 120.500 0.094 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.318 178.530 176.300 -0.147 0.000 1.114 404 R CA 0.750 56.829 56.100 -0.035 0.000 0.972 404 R CB -0.331 29.858 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.780 119.528 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.954 176.780 175.900 -0.123 0.000 1.123 405 Y CA 0.931 59.008 58.100 -0.039 0.000 1.201 405 Y CB 0.569 38.974 38.460 -0.092 0.000 1.011 405 Y HN 0.259 nan 8.280 nan 0.000 0.545 406 G N 1.045 109.865 108.800 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 -0.631 44.349 45.100 -0.200 0.000 1.248 406 G HN 0.122 nan 8.290 nan 0.000 0.589 407 L N 0.959 122.081 121.223 -0.168 0.000 2.455 407 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 407 L C -0.058 176.756 176.870 -0.093 0.000 0.968 407 L CA -1.221 53.476 54.840 -0.238 0.000 0.827 407 L CB 2.045 43.989 42.059 -0.192 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 2.062 122.461 120.300 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 -0.569 57.655 58.100 0.206 0.000 1.318 408 Y CB 1.271 39.845 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.726 123.806 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 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 2.105 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 2.595 122.552 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.398 175.725 176.094 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 33.158 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 -0.181 176.290 176.300 0.285 0.000 1.150 411 D CA 0.093 54.244 54.000 0.251 0.000 0.870 411 D CB 1.210 42.200 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.825 122.168 120.200 0.239 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.116 175.619 176.600 0.225 0.000 0.877 412 E CA -1.075 55.454 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.136 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.731 126.679 122.820 0.214 0.000 2.445 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.242 413 A C 0.351 178.057 177.584 0.203 0.000 1.075 413 A CA -0.271 51.875 52.037 0.181 0.000 0.777 413 A CB 0.178 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 0.214 0.000 2.971 414 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 414 N C -0.947 174.685 175.510 0.203 0.000 1.210 414 N CA 0.239 53.443 53.050 0.257 0.000 1.157 414 N CB -0.877 37.769 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.748 121.431 120.570 0.189 0.000 2.529 415 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 415 I C -0.586 175.617 176.117 0.144 0.000 1.088 415 I CA -0.659 60.732 61.300 0.153 0.000 1.062 415 I CB 1.873 39.938 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.216 124.498 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 416 E C -0.446 176.213 176.600 0.099 0.000 0.890 416 E CA -0.442 56.011 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 0.628 115.229 114.554 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 -0.247 61.928 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 1.279 120.266 119.070 -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 1.615 57.543 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 -0.247 0.000 2.679 419 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 419 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 419 G C 0.623 175.614 174.900 0.151 0.000 1.137 419 G CA -0.017 44.968 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.039 119.691 119.600 0.217 0.000 2.113 420 M HA 0.341 4.821 4.480 -0.000 0.000 0.288 420 M C -0.301 176.031 176.300 0.053 0.000 1.225 420 M CA 0.095 55.483 55.300 0.146 0.000 1.148 420 M CB 1.023 33.664 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.922 121.846 119.914 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 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.980 33.798 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.265 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 -0.522 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 1.201 120.800 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.246 57.552 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 0.405 nan 8.290 nan 0.000 0.406 424 N N -0.226 118.481 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.153 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.184 53.238 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 0.641 121.092 120.500 -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 1.718 57.746 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.084 30.300 -0.118 0.000 0.867 425 R HN 0.296 nan 8.270 nan 0.000 0.441 426 L N -0.803 120.228 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.557 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.392 55.898 54.840 -0.556 0.000 0.761 426 L CB -0.759 40.719 42.059 -0.969 0.000 0.921 426 L HN 0.401 nan 8.230 nan 0.000 0.444 427 T N -3.697 110.708 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.229 175.805 174.700 -0.206 0.000 1.084 427 T CA 1.486 63.426 62.100 -0.266 0.000 1.123 427 T CB -0.366 68.309 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.408 121.727 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.547 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.062 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.614 119.770 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.537 176.300 0.111 0.000 1.153 429 D CA -2.293 51.741 54.000 0.057 0.000 0.861 429 D CB 2.198 43.069 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 64.372 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 57.704 56.100 -0.102 0.000 0.976 431 R CB -0.860 29.362 30.300 -0.130 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 2.916 124.182 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 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 2.471 57.307 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 -0.241 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.855 177.300 -0.084 0.000 1.158 434 P CA 2.614 65.656 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 -0.516 122.268 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.342 179.932 177.584 0.010 0.000 1.191 435 A CA 2.570 54.602 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.468 19.000 0.075 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.364 119.980 119.600 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 -0.017 0.000 1.107 436 M CB -0.801 31.769 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.454 116.075 115.700 -0.133 0.000 2.359 437 S HA -0.184 4.286 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 1.399 59.456 58.200 -0.237 0.000 1.042 437 S CB -0.720 62.325 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 -0.168 4.182 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 1.018 57.324 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 -0.110 4.230 4.340 -0.000 0.000 0.234 439 R C 2.389 178.648 176.300 -0.068 0.000 1.123 439 R CA 0.999 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 0.038 119.866 119.914 -0.143 0.000 2.374 440 V HA -0.182 3.938 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 2.033 64.235 62.300 -0.163 0.000 1.037 440 V CB -0.400 31.318 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.170 114.111 114.554 -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 1.893 63.655 62.100 -0.563 0.000 1.159 441 T CB -0.545 67.870 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.587 120.973 120.500 -0.190 0.000 2.091 442 R HA -0.003 4.337 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 1.810 57.835 56.100 -0.125 0.000 0.959 442 R CB -0.579 29.657 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 1.951 178.196 176.300 -0.092 0.000 1.068 443 M CA 1.751 57.026 55.300 -0.041 0.000 1.109 443 M CB -0.017 32.600 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.553 121.325 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.310 64.362 62.300 -0.413 0.000 1.024 444 V CB -1.208 30.332 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 2.226 445 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 445 Q C 2.349 178.281 176.000 -0.112 0.000 0.975 445 Q CA 1.628 57.382 55.803 -0.081 0.000 0.866 445 Q CB -0.352 28.366 28.738 -0.033 0.000 0.915 445 Q HN 0.597 nan 8.270 nan 0.000 0.440 446 R N 0.779 121.203 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.753 176.975 176.300 -0.130 0.000 1.125 446 R CA 1.426 57.425 56.100 -0.169 0.000 0.966 446 R CB 0.321 30.517 30.300 -0.174 0.000 0.861 446 R HN 0.149 nan 8.270 nan 0.000 0.433 447 D N -0.014 120.371 120.400 -0.025 0.000 2.360 447 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 447 D C 1.465 177.863 176.300 0.164 0.000 1.047 447 D CA 0.235 54.264 54.000 0.050 0.000 0.854 447 D CB 0.209 40.995 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.796 121.412 120.500 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 1.067 57.295 56.100 0.214 0.000 1.007 448 R CB -0.414 29.978 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 -0.528 174.839 175.510 -0.239 0.000 1.109 449 N CA 0.129 53.046 53.050 -0.222 0.000 0.855 449 N CB 0.154 38.454 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.567 120.549 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 450 H C -1.201 173.962 175.328 -0.275 0.000 1.079 450 H CA -1.329 54.615 56.048 -0.173 0.000 1.411 450 H CB 1.633 31.328 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.176 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.699 0.000 1.148 451 P CA 1.323 64.076 63.100 -0.579 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.012 0.000 0.783 452 S N -1.312 114.051 115.700 -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 58.348 58.200 -0.264 0.000 0.965 452 S CB -1.405 61.757 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 1.020 176.971 176.094 -0.239 0.000 1.040 453 V CA -0.076 62.118 62.300 -0.175 0.000 1.008 453 V CB 0.622 32.240 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.538 123.010 120.570 -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 0.490 120.905 120.570 -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 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.046 40.042 38.000 -0.006 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.861 125.205 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 -0.000 0.000 0.331 456 W C 0.441 177.022 176.519 0.102 0.000 1.119 456 W CA -0.628 56.767 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 2.792 118.722 115.700 0.383 0.000 2.557 457 S HA 0.397 4.867 4.470 -0.000 0.000 0.291 457 S C -0.092 174.674 174.600 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 0.567 nan 8.310 nan 0.000 0.484 458 L N 4.185 125.567 121.223 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 0.381 55.314 54.840 0.155 0.000 0.911 458 L CB -1.451 40.613 42.059 0.008 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 0.255 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 0.281 0.000 1.267 459 G CA -0.550 44.695 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.331 119.144 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.458 175.006 175.510 -0.076 0.000 1.254 460 N CA 0.141 53.163 53.050 -0.047 0.000 0.863 460 N CB 1.391 39.572 38.487 -0.509 0.000 1.586 460 N HN 0.951 nan 8.380 nan 0.000 0.491 461 E N 0.274 120.323 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.783 175.713 176.600 -0.174 0.000 1.355 461 E CA 0.691 56.865 56.400 -0.377 0.000 0.575 461 E CB -1.445 27.733 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.165 115.914 115.700 0.082 0.000 2.941 462 S HA 0.398 4.868 4.470 -0.000 0.000 0.251 462 S C 0.724 175.481 174.600 0.262 0.000 1.029 462 S CA -0.122 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 1.980 110.880 108.800 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 -0.516 174.599 174.900 0.358 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 0.433 119.629 119.070 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 0.060 56.259 56.048 0.253 0.000 1.288 464 H CB 1.022 30.860 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.381 110.187 108.800 0.009 0.000 2.642 465 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 465 G C 0.494 175.221 174.900 -0.288 0.000 1.341 465 G CA -0.142 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.601 123.299 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.186 179.725 177.584 -0.075 0.000 1.171 466 A CA 2.205 54.177 52.037 -0.108 0.000 0.640 466 A CB -0.522 18.442 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.347 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 467 N C 1.416 176.850 175.510 -0.126 0.000 1.017 467 N CA 1.883 54.840 53.050 -0.155 0.000 0.859 467 N CB -0.723 37.637 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.396 119.408 119.070 -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 1.354 57.360 56.048 -0.071 0.000 1.308 468 H CB 0.065 29.771 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.517 121.051 120.400 0.222 0.000 2.116 469 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.345 55.477 54.000 0.220 0.000 0.836 469 D CB -0.565 40.332 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.798 123.707 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.465 180.154 177.584 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 0.216 nan 8.150 nan 0.000 0.445 471 L N -2.167 119.142 121.223 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 0.234 0.000 1.078 471 L CA 1.741 56.668 54.840 0.144 0.000 0.749 471 L CB -0.809 41.272 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 1.628 59.809 58.100 0.135 0.000 1.135 472 Y CB -0.234 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 0.011 120.642 120.500 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 2.015 58.165 56.100 0.082 0.000 0.951 473 R CB -1.697 28.726 30.300 0.204 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.308 122.565 121.300 -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 0.616 121.177 120.570 -0.014 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.467 178.353 176.117 -0.386 0.000 1.078 475 I CA 1.432 62.553 61.300 -0.297 0.000 1.343 475 I CB -1.016 36.878 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.182 121.380 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.218 178.667 176.600 -0.252 0.000 1.048 476 K CA 1.889 58.002 56.287 -0.290 0.000 0.926 476 K CB -0.667 31.642 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.311 115.825 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 477 S C 2.226 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.805 58.827 58.200 -0.297 0.000 0.965 477 S CB -0.129 62.907 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.381 120.926 119.914 -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 1.236 63.154 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 -0.711 119.490 120.400 -0.332 0.000 2.358 479 D HA 0.272 4.912 4.640 -0.000 0.000 0.253 479 D C -2.271 174.005 176.300 -0.039 0.000 1.288 479 D CA -1.767 52.155 54.000 -0.130 0.000 0.950 479 D CB 1.976 42.783 40.800 0.012 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 1.077 178.393 177.300 0.027 0.000 1.248 480 P CA 0.229 63.317 63.100 -0.020 0.000 0.807 480 P CB 0.311 31.989 31.700 -0.036 0.000 1.150 481 S N -0.507 115.221 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 481 S C 0.907 175.538 174.600 0.051 0.000 0.995 481 S CA -0.042 58.190 58.200 0.054 0.000 0.934 481 S CB -0.398 62.828 63.200 0.044 0.000 0.771 481 S HN 0.105 nan 8.310 nan 0.000 0.522 482 R N 0.953 121.502 120.500 0.080 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.222 173.142 176.300 0.106 0.000 0.977 482 R CA -2.407 53.712 56.100 0.032 0.000 0.906 482 R CB 1.065 31.267 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 -0.795 176.608 177.300 0.171 0.000 1.252 483 P CA -0.530 62.633 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 1.857 121.894 119.914 0.205 0.000 2.540 484 V HA 0.411 4.530 4.120 -0.000 0.000 0.302 484 V C 0.138 176.410 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.334 33.301 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.674 123.630 119.800 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 -0.975 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 0.190 120.508 120.300 0.030 0.000 2.376 486 Y HA 0.155 4.705 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 2.098 40.539 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.337 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.733 176.874 176.600 -0.766 0.000 0.986 487 E CA 0.766 56.801 56.400 -0.609 0.000 0.849 487 E CB 0.177 29.638 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.062 107.964 108.800 -1.498 0.000 2.464 488 G HA2 0.158 4.118 3.960 -0.000 0.000 0.231 488 G HA3 0.158 4.118 3.960 -0.000 0.000 0.231 488 G C 0.807 175.542 174.900 -0.275 0.000 1.267 488 G CA 0.397 45.024 45.100 -0.789 0.000 0.863 488 G HN 0.389 nan 8.290 nan 0.000 0.559 489 G N -0.247 108.495 108.800 -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 1.290 176.174 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.103 45.100 0.006 0.000 0.769 489 G HN 2.637 nan 8.290 nan 0.000 0.507 490 G N -1.714 107.067 108.800 -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 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.155 122.650 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.092 178.623 177.584 -0.088 0.000 1.128 491 A CA 2.665 54.640 52.037 -0.103 0.000 1.062 491 A CB -1.810 17.100 19.000 -0.150 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.098 119.317 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.432 176.721 176.300 -0.019 0.000 1.455 492 D CA 0.840 54.861 54.000 0.036 0.000 0.796 492 D CB -1.154 39.798 40.800 0.253 0.000 1.131 492 D HN 0.845 nan 8.370 nan 0.000 0.467 493 T N -2.452 112.027 114.554 -0.126 0.000 2.698 493 T HA 0.147 4.497 4.350 -0.000 0.000 0.295 493 T C 1.614 176.183 174.700 -0.219 0.000 1.007 493 T CA 0.580 62.533 62.100 -0.245 0.000 0.980 493 T CB 1.032 69.541 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.144 112.269 114.554 -0.235 0.000 3.113 494 T HA 0.128 4.478 4.350 -0.000 0.000 0.263 494 T C 1.648 176.101 174.700 -0.411 0.000 1.143 494 T CA 0.599 62.573 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 0.141 122.752 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.980 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.025 51.760 52.037 -0.420 0.000 0.870 495 A CB -0.112 18.898 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.531 112.885 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.562 174.168 174.700 0.050 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.319 70.190 68.868 0.005 0.000 1.070 496 T HN 0.077 nan 8.240 nan 0.000 0.465 497 D N 2.621 123.128 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.215 497 D C 0.255 176.591 176.300 0.061 0.000 1.016 497 D CA 0.660 54.749 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 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.472 121.058 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.429 175.630 176.117 -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 40.985 38.000 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.905 125.373 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 499 I C -0.057 175.869 176.117 -0.320 0.000 1.075 499 I CA -0.164 60.948 61.300 -0.313 0.000 1.333 499 I CB 0.047 37.766 38.000 -0.468 0.000 1.415 499 I HN 0.598 nan 8.210 nan 0.000 0.502 500 C N 5.420 124.552 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 -0.000 0.000 0.227 500 C C -2.191 172.666 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.626 59.018 -0.208 0.000 1.516 500 C CB -0.887 26.787 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.031 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 4.962 4.480 -0.000 0.000 0.293 502 M C -1.084 175.201 176.300 -0.026 0.000 0.994 502 M CA -0.632 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.650 34.085 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 0.489 176.542 175.900 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 1.094 124.121 122.820 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 -0.376 51.865 52.037 0.339 0.000 0.781 504 A CB 0.412 19.637 19.000 0.376 0.000 1.019 504 A HN 0.408 nan 8.150 nan 0.000 0.490 505 R N 1.133 121.762 120.500 0.215 0.000 2.543 505 R HA 0.359 4.698 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 -0.684 55.477 56.100 0.102 0.000 1.142 505 R CB 0.761 31.099 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.672 120.407 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.868 176.845 176.094 -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 41.707 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.605 121.793 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 508 E C -1.035 175.569 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.461 31.157 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.238 123.639 120.400 0.002 0.000 2.225 509 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 509 D C -0.753 175.449 176.300 -0.164 0.000 1.052 509 D CA -0.027 53.966 54.000 -0.013 0.000 0.909 509 D CB 1.411 42.263 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.556 121.147 119.800 -0.348 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 -1.090 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.689 0.000 0.707 510 Q CB 2.454 30.805 28.738 -0.646 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 -0.135 62.540 63.100 -0.709 0.000 0.976 511 P CB -0.531 30.956 31.700 -0.357 0.000 1.952 512 F N 2.435 122.233 119.950 -0.254 0.000 2.459 512 F HA 0.261 4.788 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 -2.628 55.269 58.000 -0.171 0.000 1.268 512 F CB -0.453 38.463 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 1.011 32.728 31.700 0.028 0.000 0.838 514 A N 2.838 125.658 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.715 178.294 177.584 -0.009 0.000 0.569 514 A CA 2.177 54.216 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 -3.561 116.350 119.914 -0.004 0.000 2.546 515 V HA 0.575 4.695 4.120 -0.000 0.000 0.260 515 V C -2.666 173.430 176.094 0.004 0.000 0.933 515 V CA -1.251 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.900 32.725 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.346 nan 4.420 nan 0.000 0.274 516 P C -0.729 176.125 177.300 -0.743 0.000 1.237 516 P CA 0.049 62.795 63.100 -0.591 0.000 0.793 516 P CB 0.968 31.920 31.700 -1.248 0.000 0.977 517 K N 2.125 122.141 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.483 175.838 176.600 -0.465 0.000 1.000 517 K CA -0.286 55.788 56.287 -0.355 0.000 0.951 517 K CB 0.638 33.226 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 -0.652 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.517 29.643 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.199 119.063 115.700 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 1.427 122.095 120.570 0.164 0.000 2.361 520 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 520 I C 1.868 178.006 176.117 0.036 0.000 1.133 520 I CA 1.228 62.624 61.300 0.160 0.000 1.413 520 I CB -0.573 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 1.539 57.687 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 0.676 121.085 120.400 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 0.641 56.917 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 2.083 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.558 178.042 176.519 -0.060 0.000 1.217 523 W CA 1.337 58.657 57.345 -0.042 0.000 1.257 523 W CB -0.659 28.878 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.793 122.162 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.541 179.466 176.870 0.093 0.000 1.080 524 L CA 2.088 57.007 54.840 0.131 0.000 0.754 524 L CB -1.012 41.105 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.034 114.700 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 525 S C 0.745 175.321 174.600 -0.041 0.000 0.966 525 S CA -0.461 57.744 58.200 0.008 0.000 0.914 525 S CB -0.480 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 2.191 123.378 121.223 -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 -0.438 41.514 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 32.366 31.700 -0.048 0.000 0.776 528 G N 2.042 110.840 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.251 528 G C 0.314 175.227 174.900 0.023 0.000 0.998 528 G CA 0.136 45.242 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.209 121.428 120.200 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 0.525 115.097 114.554 0.030 0.000 3.092 530 T HA 0.301 4.651 4.350 -0.000 0.000 0.273 530 T C 0.579 175.285 174.700 0.011 0.000 0.898 530 T CA -0.453 61.659 62.100 0.020 0.000 0.868 530 T CB 0.042 68.921 68.868 0.019 0.000 1.228 530 T HN 0.276 nan 8.240 nan 0.000 0.555 531 R N 2.167 122.669 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.562 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.573 54.518 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 -1.339 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.071 0.000 0.811 532 P CB 0.652 32.311 31.700 -0.068 0.000 1.035 533 L N 1.933 123.068 121.223 -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 54.423 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.753 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.459 125.895 120.570 -0.223 0.000 2.512 534 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 534 I C -0.968 175.049 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.069 39.982 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.475 126.570 121.223 -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 0.343 119.691 119.300 0.079 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 -0.092 59.020 59.018 0.157 0.000 1.763 536 C CB -0.955 26.788 27.740 0.005 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 0.088 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.140 176.600 -0.135 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.920 31.475 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.823 119.442 120.300 -0.058 0.000 2.677 538 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 538 Y C -0.808 175.259 175.900 0.279 0.000 1.196 538 Y CA -0.755 57.346 58.100 0.001 0.000 1.059 538 Y CB 0.991 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 2.147 125.034 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.289 539 A C -0.325 177.390 177.584 0.219 0.000 1.437 539 A CA 1.000 53.080 52.037 0.072 0.000 0.734 539 A CB -2.530 16.345 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.586 119.828 119.070 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 0.334 30.173 29.762 0.128 0.000 1.523 540 H HN 0.861 nan 8.280 nan 0.000 0.528 541 A N 6.450 129.191 122.820 -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 -0.252 0.000 1.391 541 A CA -0.344 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 1.045 177.182 176.300 -0.273 0.000 1.489 542 M CA 1.268 56.408 55.300 -0.267 0.000 1.278 542 M CB -0.523 31.957 32.600 -0.201 0.000 1.657 542 M HN 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.308 112.935 108.800 -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 -0.148 174.283 174.900 -0.782 0.000 1.175 543 G CA 0.021 44.792 45.100 -0.548 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.525 119.582 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.267 544 N C 0.030 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.121 53.708 53.050 -0.773 0.000 1.019 544 N CB 0.277 38.333 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.589 117.121 115.700 -0.281 0.000 2.998 545 S HA 0.620 5.090 4.470 -0.000 0.000 0.323 545 S C -0.017 174.506 174.600 -0.129 0.000 1.141 545 S CA -0.384 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.288 63.400 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.103 121.279 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.281 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 0.955 55.766 54.840 -0.048 0.000 1.242 546 L CB -1.807 40.143 42.059 -0.182 0.000 2.049 546 L HN 0.710 nan 8.230 nan 0.000 0.637 547 G N -0.876 107.922 108.800 -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 0.075 0.000 1.288 547 G CA 0.219 45.303 45.100 -0.027 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.814 110.670 108.800 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 1.132 176.247 174.900 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 2.198 122.284 119.950 0.227 0.000 2.085 549 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 549 F C 2.779 178.808 175.800 0.383 0.000 1.096 549 F CA 2.954 61.153 58.000 0.332 0.000 1.227 549 F CB -0.586 38.534 39.000 0.201 0.000 0.983 549 F HN 0.421 nan 8.300 nan 0.000 0.482 550 A N -0.442 122.546 122.820 0.279 0.000 1.978 550 A HA -0.236 4.084 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 1.750 53.872 52.037 0.142 0.000 0.636 550 A CB -0.750 18.338 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.549 118.866 120.400 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 58.260 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 -0.956 119.074 120.300 -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 1.346 58.822 58.100 -1.041 0.000 1.147 552 Y CB -0.424 37.393 38.460 -1.072 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.620 121.492 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.997 176.519 -0.314 0.000 1.215 553 W CA 1.937 58.976 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 0.484 120.183 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.112 0.000 0.966 554 Q CA 1.815 57.567 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.215 nan 8.270 nan 0.000 0.439 555 A N 0.753 123.412 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.936 179.488 177.584 -0.052 0.000 1.181 555 A CA 1.164 53.084 52.037 -0.195 0.000 0.623 555 A CB -1.113 17.646 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 2.755 178.465 175.800 -0.150 0.000 1.103 556 F CA 1.295 59.102 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.383 39.000 -0.650 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.080 120.647 120.500 0.112 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.040 178.383 176.300 0.070 0.000 1.103 557 R CA 1.285 57.433 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 0.445 nan 8.270 nan 0.000 0.451 558 Q N -0.450 119.423 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.610 175.440 176.000 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 0.496 120.780 120.300 -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 1.551 39.996 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.245 nan 4.420 nan 0.000 0.217 560 P C 1.150 178.454 177.300 0.006 0.000 1.158 560 P CA 1.853 64.959 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 0.570 176.849 176.300 -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 1.949 123.164 121.223 -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 -0.241 0.000 1.075 562 L CA 0.029 54.810 54.840 -0.098 0.000 0.839 562 L CB 1.271 43.338 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.903 122.499 119.800 -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 0.905 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 -0.743 43.316 45.100 -1.733 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.213 106.084 108.800 -0.839 0.000 2.349 565 G HA2 0.655 4.614 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.614 3.960 -0.000 0.000 0.294 565 G C -1.854 172.938 174.900 -0.180 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.486 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 0.715 176.822 175.800 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 2.880 123.110 119.914 0.525 0.000 2.963 567 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 567 V C -0.372 175.888 176.094 0.278 0.000 1.077 567 V CA -0.445 61.963 62.300 0.180 0.000 1.124 567 V CB 1.017 32.927 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 0.471 5.131 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 1.421 31.129 29.460 0.413 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.603 122.647 120.400 -0.592 0.000 2.812 569 D HA 0.113 4.753 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 -0.552 53.007 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 0.559 121.553 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 -0.000 0.000 0.324 570 W C -0.069 176.223 176.519 -0.378 0.000 1.209 570 W CA 1.485 58.584 57.345 -0.409 0.000 1.275 570 W CB 0.115 29.368 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.914 120.625 119.914 -0.339 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.448 175.452 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.349 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 1.577 121.805 120.400 -0.286 0.000 2.382 572 D HA 0.172 4.812 4.640 -0.000 0.000 0.245 572 D C -0.024 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.202 54.081 54.000 -0.202 0.000 0.890 572 D CB 1.350 42.120 40.800 -0.050 0.000 1.201 572 D HN 0.606 nan 8.370 nan 0.000 0.433 573 Q N 0.995 120.585 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 -0.000 0.000 0.335 573 Q C -0.349 175.602 176.000 -0.082 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.695 0.000 1.023 573 Q CB 0.246 28.650 28.738 -0.556 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.023 115.803 115.700 0.134 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.283 174.493 174.600 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 64.908 63.200 0.243 0.000 1.046 574 S HN 0.317 nan 8.310 nan 0.000 0.506 575 L N 1.769 123.083 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.432 176.337 176.870 -0.170 0.000 1.012 575 L CA -1.135 53.664 54.840 -0.068 0.000 0.815 575 L CB 1.429 43.332 42.059 -0.261 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.337 121.748 120.570 -0.265 0.000 2.440 576 I HA 0.298 4.468 4.170 -0.000 0.000 0.294 576 I C -0.016 175.708 176.117 -0.655 0.000 0.995 576 I CA 0.007 61.021 61.300 -0.477 0.000 1.306 576 I CB 1.078 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 2.339 33.885 32.500 -1.591 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.473 120.621 120.300 -0.254 0.000 2.499 578 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 578 Y C -0.076 176.006 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.047 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 0.054 4.694 4.640 -0.000 0.000 0.254 579 D C 0.967 177.390 176.300 0.204 0.000 1.111 579 D CA -0.568 53.611 54.000 0.298 0.000 0.993 579 D CB 0.690 41.593 40.800 0.172 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.867 121.137 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.213 176.850 176.600 0.063 0.000 0.998 580 E CA 1.091 57.533 56.400 0.070 0.000 0.818 580 E CB -0.798 28.924 29.700 0.037 0.000 0.741 580 E HN 0.483 nan 8.360 nan 0.000 0.477 581 N N 1.119 119.865 118.700 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 0.257 38.778 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.680 109.550 108.800 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 44.909 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.115 120.014 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 -0.000 0.000 0.282 583 N C -2.470 173.235 175.510 0.325 0.000 1.037 583 N CA -1.489 51.747 53.050 0.309 0.000 0.942 583 N CB 2.056 40.665 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 -0.584 176.641 177.300 -0.125 0.000 1.253 584 P CA -0.365 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.674 32.161 31.700 -0.355 0.000 0.961 585 W N -0.211 120.829 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 -0.000 0.000 0.314 585 W C -1.477 174.846 176.519 -0.328 0.000 1.238 585 W CA -0.995 56.123 57.345 -0.379 0.000 1.193 585 W CB 0.196 29.291 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.933 117.634 115.700 0.003 0.000 2.488 586 S HA 0.540 5.010 4.470 -0.000 0.000 0.278 586 S C 0.263 174.966 174.600 0.172 0.000 1.259 586 S CA -0.161 58.051 58.200 0.021 0.000 1.061 586 S CB 0.894 64.169 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.815 125.616 122.820 -0.033 0.000 2.330 587 A HA 0.898 5.218 4.320 -0.000 0.000 0.329 587 A C -0.623 177.220 177.584 0.431 0.000 1.135 587 A CA -0.789 51.297 52.037 0.083 0.000 0.817 587 A CB 0.717 19.544 19.000 -0.290 0.000 1.269 587 A HN 0.878 nan 8.150 nan 0.000 0.469 588 Y N -1.109 119.519 120.300 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 -1.324 57.078 58.100 0.505 0.000 1.087 588 Y CB -0.034 38.542 38.460 0.194 0.000 1.404 588 Y HN 1.000 nan 8.280 nan 0.000 0.491 589 G N 0.085 109.266 108.800 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 1.027 176.263 174.900 0.559 0.000 1.200 589 G CA 0.573 45.992 45.100 0.531 0.000 0.888 589 G HN 2.040 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 0.916 176.033 174.900 0.361 0.000 0.987 590 G CA 0.764 46.094 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.326 120.327 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.262 177.458 176.300 -0.174 0.000 0.980 591 D CA 0.624 54.713 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 -1.040 119.032 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.359 57.726 58.000 0.141 0.000 1.280 592 F CB 0.516 39.592 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.599 109.562 108.800 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 -0.067 174.979 174.900 0.242 0.000 0.979 593 G CA 0.323 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 0.531 121.130 120.400 0.332 0.000 2.450 594 D HA 0.403 5.043 4.640 -0.000 0.000 0.247 594 D C -0.015 176.417 176.300 0.221 0.000 1.162 594 D CA 0.654 54.836 54.000 0.304 0.000 0.879 594 D CB 1.132 42.174 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.386 117.038 114.554 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 -0.944 61.220 62.100 0.107 0.000 1.008 595 T CB 2.002 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 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.099 176.191 177.300 -0.016 0.000 1.276 596 P CA -0.666 62.435 63.100 0.002 0.000 0.801 596 P CB 0.750 32.424 31.700 -0.043 0.000 1.127 597 N N -1.283 117.408 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.272 174.202 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.319 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 0.213 120.555 120.400 -0.097 0.000 2.772 598 D HA 0.148 4.788 4.640 -0.000 0.000 0.272 598 D C 0.595 177.125 176.300 0.384 0.000 1.314 598 D CA -0.218 53.800 54.000 0.031 0.000 0.835 598 D CB 0.845 41.489 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.294 120.996 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.943 177.239 176.300 -0.007 0.000 0.241 599 R CA 1.455 57.726 56.100 0.285 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 0.643 120.126 119.800 -0.528 0.000 2.437 600 Q HA 0.105 4.445 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 1.529 56.859 55.803 -0.788 0.000 0.903 600 Q CB -0.222 27.922 28.738 -0.990 0.000 0.967 600 Q HN 0.435 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 1.875 177.624 175.800 -0.085 0.000 1.063 601 F CA 1.042 59.031 58.000 -0.020 0.000 1.362 601 F CB -0.441 38.611 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.377 117.669 119.300 -0.423 0.000 2.539 602 C HA 0.180 4.640 4.460 -0.000 0.000 0.271 602 C C 1.002 175.795 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.136 59.018 -0.662 0.000 1.729 602 C CB -1.893 24.946 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.157 122.603 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.434 175.751 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.414 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 1.557 120.142 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.175 175.481 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.299 39.693 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.032 108.593 108.800 -0.399 0.000 2.528 605 G HA2 0.472 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.472 4.431 3.960 -0.000 0.000 0.289 605 G C 0.879 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.506 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 -0.416 120.348 121.223 -0.765 0.000 2.446 606 L HA 0.165 4.505 4.340 -0.000 0.000 0.219 606 L C 0.688 176.916 176.870 -1.070 0.000 1.116 606 L CA 0.237 54.628 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 -5.235 113.941 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.430 175.193 176.094 -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 -0.137 nan 8.190 nan 0.000 0.433 608 F N 1.252 121.063 119.950 -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 0.373 58.346 58.000 -0.046 0.000 1.262 608 F CB 1.408 40.414 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.219 124.118 122.820 0.131 0.000 1.997 609 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 609 A C 1.612 179.159 177.584 -0.063 0.000 1.172 609 A CA 2.183 54.233 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 -2.898 117.486 120.400 -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 0.362 54.323 54.000 -0.066 0.000 0.905 610 D CB -0.142 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 -1.033 119.446 120.500 -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 1.039 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.109 27.179 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.139 112.462 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.470 172.373 174.700 0.238 0.000 0.987 612 T CA -2.422 59.772 62.100 0.156 0.000 0.966 612 T CB 2.433 71.388 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 -0.008 63.077 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 2.928 121.795 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.191 174.029 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.712 56.048 -0.356 0.000 1.290 614 H CB 0.861 30.380 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 1.249 178.545 177.300 -0.006 0.000 1.149 615 P CA 1.275 64.361 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.626 31.700 -0.038 0.000 0.785 616 A N 0.191 123.009 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.686 53.686 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 0.017 121.203 121.223 -0.060 0.000 2.089 617 L HA -0.209 4.131 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 -1.011 41.042 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 2.708 618 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 618 T C 1.714 176.515 174.700 0.168 0.000 1.037 618 T CA 1.358 63.547 62.100 0.149 0.000 1.146 618 T CB -0.238 68.702 68.868 0.120 0.000 0.865 618 T HN 0.364 nan 8.240 nan 0.000 0.435 619 E N 1.544 121.793 120.200 0.081 0.000 2.085 619 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 619 E C 2.234 178.862 176.600 0.046 0.000 0.994 619 E CA 1.405 57.862 56.400 0.096 0.000 0.801 619 E CB -0.566 29.154 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.994 123.740 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.187 179.694 177.584 -0.128 0.000 1.191 620 A CA 2.214 54.154 52.037 -0.161 0.000 0.623 620 A CB -0.773 18.116 19.000 -0.185 0.000 0.826 620 A HN 0.310 nan 8.150 nan 0.000 0.444 621 K N -1.295 119.093 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 621 K C 2.065 178.576 176.600 -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 0.430 119.347 119.070 -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 1.988 57.688 56.048 -0.580 0.000 1.308 622 H CB -0.108 29.349 29.762 -0.508 0.000 1.375 622 H HN 0.248 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 -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.720 177.166 176.000 -0.923 0.000 0.976 623 Q CA 1.350 56.772 55.803 -0.636 0.000 0.875 623 Q CB -0.041 28.438 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.572 119.834 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.065 175.510 176.000 -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 28.424 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.979 119.800 -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 0.408 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 -0.149 119.546 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.131 175.105 175.800 -0.939 0.000 1.130 626 F CA 0.013 57.519 58.000 -0.824 0.000 1.387 626 F CB 0.428 38.581 39.000 -1.413 0.000 1.107 626 F HN 0.345 nan 8.300 nan 0.000 0.577 627 F N 0.070 119.912 119.950 -0.180 0.000 2.532 627 F HA 0.489 5.016 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -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 3.081 122.609 119.800 -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 -0.573 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.053 31.684 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.465 120.540 119.950 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 0.332 0.000 0.944 629 F CB 1.906 41.224 39.000 0.531 0.000 1.175 629 F HN 0.114 nan 8.300 nan 0.000 0.468 630 R N 1.762 122.572 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 630 R C -2.004 174.360 176.300 0.107 0.000 0.980 630 R CA -1.174 55.126 56.100 0.334 0.000 0.891 630 R CB 2.668 33.072 30.300 0.173 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.374 122.547 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.009 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.087 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 3.786 119.360 115.700 -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 0.254 63.409 63.200 -0.076 0.000 1.036 632 S HN 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.317 113.031 108.800 -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 0.435 175.234 174.900 -0.169 0.000 1.179 633 G CA 0.715 45.736 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 0.012 175.897 176.000 -0.192 0.000 0.848 634 Q CA 0.667 56.361 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 0.811 115.263 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 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 1.577 70.393 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.404 122.902 120.570 -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 0.052 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.064 0.000 1.227 636 I CB 1.425 39.417 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 0.492 4.842 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 -0.588 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 3.641 123.634 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.158 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.642 62.300 0.072 0.000 0.887 638 V CB 1.911 33.808 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.548 117.078 114.554 -0.040 0.000 2.861 639 T HA 0.385 4.735 4.350 -0.000 0.000 0.287 639 T C -0.297 174.397 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 62.100 -0.015 0.000 0.977 639 T CB 1.689 70.529 68.868 -0.047 0.000 0.996 639 T HN 0.680 nan 8.240 nan 0.000 0.448 640 S N 1.554 117.255 115.700 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 -0.181 0.000 1.163 640 S CA -0.585 57.561 58.200 -0.091 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 3.431 123.424 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.861 175.592 176.600 -0.247 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 1.401 177.137 175.900 -0.272 0.000 1.172 642 Y CA -0.309 57.656 58.100 -0.225 0.000 1.280 642 Y CB 0.997 39.301 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.438 122.498 121.223 -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 -0.765 0.000 1.081 643 L CA 0.746 55.172 54.840 -0.690 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.366 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.558 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.806 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.361 39.315 39.000 -0.076 0.000 1.027 644 F HN -0.107 nan 8.300 nan 0.000 0.607 645 R N -0.074 120.452 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 -0.000 0.000 0.261 645 R C -1.117 175.184 176.300 0.002 0.000 1.051 645 R CA -0.665 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.659 30.832 30.300 -0.211 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.415 118.627 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.309 175.038 175.328 0.033 0.000 1.155 646 H CA -0.476 55.584 56.048 0.019 0.000 1.237 646 H CB 1.541 31.322 29.762 0.031 0.000 1.534 646 H HN 0.744 nan 8.280 nan 0.000 0.523 647 S N 2.298 117.807 115.700 -0.318 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 0.013 58.227 58.200 0.023 0.000 0.947 647 S CB -0.983 62.230 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.305 120.808 120.400 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 40.659 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 0.106 120.354 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.524 175.094 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.921 31.621 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.538 124.771 121.223 0.017 0.000 2.341 651 L HA 0.545 4.884 4.340 -0.000 0.000 0.278 651 L C -1.470 175.426 176.870 0.042 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.521 43.608 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.072 126.380 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.703 176.374 176.870 0.345 0.000 1.024 652 L CA 0.040 54.994 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 5.807 124.925 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 -0.000 0.000 0.326 653 H C -1.119 174.269 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 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 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.609 124.980 121.300 0.119 0.000 2.929 654 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 654 W C -1.483 175.071 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.623 31.129 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.197 121.168 119.600 0.618 0.000 2.569 655 M HA 0.538 5.018 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 1.735 34.339 32.600 0.006 0.000 1.759 655 M HN 0.127 nan 8.290 nan 0.000 0.515 656 V N 2.348 122.492 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 -0.000 0.000 0.299 656 V C -0.189 176.020 176.094 0.190 0.000 1.035 656 V CA 0.049 62.521 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 4.100 127.040 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 -0.000 0.000 0.295 657 A C -1.734 175.976 177.584 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 1.453 122.766 121.223 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 0.247 55.189 54.840 0.171 0.000 0.819 658 L CB 0.330 42.454 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.739 125.304 120.400 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 -2.565 174.036 176.600 0.001 0.000 1.053 661 K CA -2.049 54.221 56.287 -0.027 0.000 0.892 661 K CB 1.819 34.314 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 0.035 63.130 63.100 -0.008 0.000 0.768 662 P CB 0.687 32.357 31.700 -0.049 0.000 0.848 663 L N 1.301 122.554 121.223 0.049 0.000 2.717 663 L HA 0.538 4.878 4.340 -0.000 0.000 0.239 663 L C 0.799 177.713 176.870 0.074 0.000 1.086 663 L CA 0.111 54.986 54.840 0.058 0.000 0.897 663 L CB 0.327 42.434 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.083 122.797 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 664 A C -0.942 176.617 177.584 -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 20.621 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.360 115.057 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.072 173.506 174.600 -1.703 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.066 0.000 0.863 665 S CB 2.026 64.872 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.248 108.800 -2.259 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 -0.894 0.000 1.435 666 G CA -0.598 43.590 45.100 -1.519 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.538 119.490 120.200 -0.287 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.591 32.190 29.700 -0.169 0.000 1.180 667 E HN 0.325 nan 8.360 nan 0.000 0.416 668 V N 5.732 125.769 119.914 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 2.057 34.006 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 -0.674 176.682 177.300 0.094 0.000 1.235 669 P CA -0.036 63.125 63.100 0.101 0.000 0.772 669 P CB 0.856 32.611 31.700 0.092 0.000 0.871 670 L N 3.114 124.379 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.510 177.428 176.870 0.080 0.000 1.099 670 L CA 0.232 55.102 54.840 0.050 0.000 0.808 670 L CB 0.572 42.609 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 5.025 4.640 -0.000 0.000 0.255 671 D C -1.328 174.993 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 41.913 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.519 120.265 119.914 -0.280 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 1.424 33.268 31.823 0.035 0.000 0.999 672 V HN 0.435 nan 8.190 nan 0.000 0.424 673 A N 5.603 128.397 122.820 -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 0.048 0.000 1.089 673 A CA -1.535 50.565 52.037 0.105 0.000 0.794 673 A CB -0.163 18.942 19.000 0.174 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 0.720 63.837 63.100 0.027 0.000 0.759 674 P CB 0.140 31.838 31.700 -0.004 0.000 0.772 675 Q N -1.240 118.543 119.800 -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 -0.009 0.000 0.874 675 Q CA 1.378 57.158 55.803 -0.038 0.000 1.208 675 Q CB -2.448 26.259 28.738 -0.051 0.000 1.569 675 Q HN 0.764 nan 8.270 nan 0.000 0.579 676 G N 0.291 109.100 108.800 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 -0.623 174.298 174.900 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 -0.460 119.965 120.400 0.042 0.000 2.259 677 K HA 0.465 4.785 4.320 -0.000 0.000 0.249 677 K C -0.833 175.803 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.380 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 3.333 123.175 119.800 0.069 0.000 2.323 678 Q HA 0.377 4.717 4.340 -0.000 0.000 0.271 678 Q C -1.557 174.487 176.000 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 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.095 126.353 121.223 0.058 0.000 2.289 679 L HA 0.539 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 -0.681 54.186 54.840 0.044 0.000 0.804 679 L CB 1.202 43.276 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.067 123.653 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.290 175.800 176.117 -0.045 0.000 1.009 680 I CA -0.738 60.569 61.300 0.012 0.000 1.111 680 I CB 2.029 40.056 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 -0.643 175.888 176.600 -0.116 0.000 1.046 681 E CA -0.303 56.055 56.400 -0.069 0.000 0.857 681 E CB 1.367 31.045 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.160 127.276 121.223 -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 43.043 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 -0.406 176.840 177.300 -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 0.998 121.171 120.200 -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 0.284 56.657 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 -1.941 174.925 176.870 -0.008 0.000 1.080 685 L CA -2.149 52.668 54.840 -0.039 0.000 0.803 685 L CB 0.626 42.642 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 2.325 122.133 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.288 687 Q C -2.130 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.210 55.803 0.008 0.000 0.849 687 Q CB 0.101 28.838 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 0.049 177.360 177.300 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 32.989 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 0.494 56.905 56.400 0.018 0.000 0.826 689 E CB -0.591 29.119 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 0.179 58.398 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 1.394 124.238 122.820 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 -0.246 108.593 108.800 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 -1.279 173.667 174.900 0.077 0.000 1.298 692 G CA -0.890 44.266 45.100 0.093 0.000 0.940 692 G HN 0.850 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 55.116 55.803 0.062 0.000 0.912 693 Q CB 2.088 30.901 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 0.479 4.819 4.340 -0.000 0.000 0.289 694 L C -1.784 175.060 176.870 -0.043 0.000 1.044 694 L CA 0.050 54.917 54.840 0.044 0.000 0.807 694 L CB 0.415 42.473 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.415 126.781 121.300 0.109 0.000 2.915 695 W HA 0.563 5.223 4.660 -0.000 0.000 0.337 695 W C -1.062 175.561 176.519 0.175 0.000 1.102 695 W CA -0.715 56.718 57.345 0.146 0.000 1.224 695 W CB 1.682 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 2.915 124.438 121.223 0.500 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.377 176.798 176.870 0.508 0.000 1.035 696 L CA 0.097 55.199 54.840 0.437 0.000 0.806 696 L CB 1.344 43.605 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 -0.860 174.022 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.609 70.599 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.548 121.595 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.625 175.524 176.094 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 1.897 122.473 120.500 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 3.124 123.118 119.914 0.134 0.000 2.448 700 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 700 V C -0.613 175.493 176.094 0.019 0.000 1.025 700 V CA -0.680 61.665 62.300 0.075 0.000 0.859 700 V CB 1.733 33.620 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.228 124.096 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.425 175.668 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.994 33.667 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.891 123.722 119.800 0.052 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.836 174.181 176.000 0.029 0.000 1.051 702 Q CA -1.809 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.810 30.622 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 -0.224 175.243 175.510 -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 39.278 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.743 123.511 122.820 -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 -0.101 51.842 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 -3.868 110.473 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.874 175.382 174.700 -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 -0.052 122.682 122.820 -0.144 0.000 2.121 707 A HA 0.110 4.429 4.320 -0.000 0.000 0.218 707 A C 1.557 179.253 177.584 0.186 0.000 1.154 707 A CA 1.104 53.194 52.037 0.090 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 -0.953 120.394 121.300 0.079 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.173 176.307 176.519 -0.065 0.000 0.999 708 W CA 0.440 57.792 57.345 0.013 0.000 1.629 708 W CB -1.131 28.324 29.460 -0.008 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 0.416 4.886 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 -0.630 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.771 65.125 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.881 120.934 120.200 -0.245 0.000 2.369 710 E HA 0.517 4.867 4.350 -0.000 0.000 0.255 710 E C 0.484 177.033 176.600 -0.085 0.000 1.172 710 E CA -0.371 55.960 56.400 -0.114 0.000 0.932 710 E CB 0.946 30.630 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.341 122.451 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.990 178.582 177.584 0.014 0.000 1.087 711 A CA 0.456 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 0.013 108.826 108.800 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 0.102 175.037 174.900 0.058 0.000 1.005 712 G CA 0.738 45.852 45.100 0.023 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.169 119.229 119.070 -0.017 0.000 2.732 713 H HA 0.515 5.071 4.556 -0.000 0.000 0.351 713 H C 0.457 175.827 175.328 0.070 0.000 1.090 713 H CA -0.631 55.433 56.048 0.025 0.000 1.431 713 H CB 0.342 30.109 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.735 125.026 120.570 -0.464 0.000 2.325 714 I HA 0.020 4.190 4.170 -0.000 0.000 0.291 714 I C 1.161 177.103 176.117 -0.292 0.000 1.019 714 I CA 0.064 61.210 61.300 -0.258 0.000 1.302 714 I CB 0.630 38.555 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 0.495 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.498 123.583 122.820 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 0.398 19.689 19.000 0.486 0.000 1.278 716 A HN 0.897 nan 8.150 nan 0.000 0.410 717 W N 0.106 121.558 121.300 0.252 0.000 3.025 717 W HA 0.820 5.480 4.660 -0.000 0.000 0.343 717 W C -1.134 175.408 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.223 30.670 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 -1.636 174.144 176.000 -0.367 0.000 0.975 718 Q CA -0.595 55.060 55.803 -0.245 0.000 0.876 718 Q CB 2.178 30.635 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.942 122.480 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.373 174.516 176.000 -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 30.614 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.505 123.001 121.300 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 2.170 31.684 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.366 122.815 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 -0.000 0.000 0.339 721 R C 0.739 176.832 176.300 -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 30.070 30.300 -1.374 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 -0.256 0.000 2.049 722 L HA 0.195 4.535 4.340 -0.000 0.000 0.203 722 L C 0.940 177.713 176.870 -0.161 0.000 1.074 722 L CA 1.033 55.786 54.840 -0.145 0.000 0.749 722 L CB -0.201 41.815 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.826 121.882 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.442 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.922 20.873 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.136 120.279 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.814 174.769 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.377 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 4.422 123.119 118.700 -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 1.072 39.569 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.815 122.047 121.223 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 0.289 55.144 54.840 0.025 0.000 0.869 726 L CB 0.509 42.581 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 0.519 175.141 174.600 0.037 0.000 1.170 727 S CA -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.724 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 2.790 122.722 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.777 176.889 176.094 0.029 0.000 1.379 728 V CA -0.079 62.238 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 -0.183 114.390 114.554 0.032 0.000 2.902 729 T HA 0.777 5.127 4.350 -0.000 0.000 0.280 729 T C -0.534 174.185 174.700 0.032 0.000 0.992 729 T CA -0.592 61.527 62.100 0.030 0.000 1.015 729 T CB 1.982 70.868 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.739 122.979 121.223 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 -2.116 52.741 54.840 0.029 0.000 0.815 730 L CB 0.647 42.721 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 0.024 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 0.710 178.302 177.584 0.012 0.000 1.082 732 A CA -0.050 51.998 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.080 123.919 122.820 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 0.456 52.517 52.037 0.041 0.000 0.774 733 A CB -0.363 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 0.157 115.849 115.700 -0.013 0.000 2.593 734 S HA 0.514 4.984 4.470 -0.000 0.000 0.297 734 S C 0.064 174.688 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.902 64.070 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.239 119.319 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.654 175.989 175.328 0.012 0.000 0.982 735 H CA 0.445 56.500 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 -1.133 176.479 177.584 0.048 0.000 1.139 736 A CA -0.715 51.364 52.037 0.069 0.000 0.665 736 A CB 1.340 20.380 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.633 118.965 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 737 I C -2.909 173.248 176.117 0.067 0.000 1.176 737 I CA -2.546 58.779 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 2.037 121.136 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.749 174.605 175.328 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 4.442 125.625 121.223 -0.068 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.633 176.063 176.870 -0.290 0.000 1.179 740 L CA 0.397 55.140 54.840 -0.161 0.000 0.813 740 L CB 1.393 43.398 42.059 -0.091 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.544 117.016 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 4.350 -0.000 0.000 0.329 741 T C -0.398 174.357 174.700 0.091 0.000 0.960 741 T CA -0.555 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.865 69.648 68.868 -0.141 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.478 117.114 114.554 0.135 0.000 2.816 742 T HA 0.775 5.125 4.350 -0.000 0.000 0.282 742 T C 0.390 175.163 174.700 0.122 0.000 0.993 742 T CA -0.521 61.726 62.100 0.245 0.000 0.994 742 T CB 1.298 70.325 68.868 0.266 0.000 1.025 742 T HN 0.712 nan 8.240 nan 0.000 0.529 743 S N -1.067 114.677 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.422 174.996 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.182 64.384 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.198 119.975 120.200 -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 -0.113 0.000 0.979 744 E CA 0.943 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 0.912 120.457 119.600 -0.092 0.000 2.476 745 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 745 M C -0.125 176.088 176.300 -0.145 0.000 1.111 745 M CA 0.809 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.590 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 -1.932 118.358 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.976 175.203 176.300 -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 41.423 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.582 124.916 120.200 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 4.138 125.512 121.223 0.251 0.000 2.811 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.251 751 L C -0.108 176.834 176.870 0.121 0.000 0.971 751 L CA 0.770 55.738 54.840 0.214 0.000 0.990 751 L CB 0.960 43.205 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.662 112.505 108.800 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 0.590 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.475 45.592 45.100 0.028 0.000 0.962 752 G HN 1.012 nan 8.290 nan 0.000 0.560 753 N N 0.968 119.649 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.795 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.429 54.441 53.050 -0.063 0.000 0.904 753 N CB -0.122 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 0.363 120.680 120.400 -0.138 0.000 2.298 754 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 754 K C -0.194 176.191 176.600 -0.359 0.000 1.032 754 K CA -0.174 55.906 56.287 -0.344 0.000 0.958 754 K CB 1.140 33.367 32.500 -0.454 0.000 0.978 754 K HN 0.041 nan 8.250 nan 0.000 0.472 755 R N 1.860 122.044 120.500 -0.527 0.000 2.626 755 R HA 0.368 4.708 4.340 -0.000 0.000 0.274 755 R C -1.654 174.518 176.300 -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 -0.717 175.881 176.519 0.133 0.000 1.083 756 W CA -0.562 56.838 57.345 0.092 0.000 1.233 756 W CB 2.240 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 1.909 30.833 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.764 122.803 119.950 0.148 0.000 2.402 758 F HA 0.312 4.839 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 0.109 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.643 122.436 118.700 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 0.749 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 1.125 177.349 176.300 -0.127 0.000 1.017 760 R CA 0.998 56.966 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.400 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 4.331 4.340 -0.000 0.000 0.198 761 Q C 2.081 178.061 176.000 -0.034 0.000 0.946 761 Q CA 1.523 57.297 55.803 -0.048 0.000 0.859 761 Q CB 0.346 29.074 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.407 114.298 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.507 58.734 58.200 0.045 0.000 0.937 762 S CB 0.131 63.483 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.381 109.101 108.800 -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 -0.096 174.666 174.900 -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 -1.309 118.820 119.950 0.298 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.511 176.371 175.800 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 1.533 122.851 121.223 0.158 0.000 2.485 765 L HA 0.222 4.562 4.340 -0.000 0.000 0.279 765 L C 0.582 177.359 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.121 41.872 42.059 -0.512 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.675 118.288 115.700 -0.145 0.000 2.425 766 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 766 S C 0.456 174.960 174.600 -0.159 0.000 1.024 766 S CA 0.427 58.588 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 -0.244 119.409 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.043 176.000 -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 0.075 119.224 119.600 -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 1.961 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 3.041 124.112 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.534 174.780 176.519 -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 2.418 122.991 120.570 0.006 0.000 2.448 770 I HA 0.436 4.606 4.170 -0.000 0.000 0.281 770 I C 0.727 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.418 61.300 -0.075 0.000 1.111 770 I CB 1.130 39.056 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.584 114.370 108.800 -0.022 0.000 2.531 771 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.274 771 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.274 771 G C 0.293 175.212 174.900 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 0.949 121.381 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.612 177.045 176.300 0.222 0.000 1.093 772 D CA 0.213 54.278 54.000 0.108 0.000 0.837 772 D CB 0.245 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 1.026 121.526 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 -0.000 0.000 0.277 773 K C -0.005 176.565 176.600 -0.050 0.000 1.038 773 K CA -0.469 55.856 56.287 0.064 0.000 0.888 773 K CB 1.711 34.206 32.500 -0.007 0.000 1.091 773 K HN -0.124 nan 8.250 nan 0.000 0.467 774 K N 1.910 122.190 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.767 177.152 176.600 -0.360 0.000 1.011 774 K CA -0.184 55.759 56.287 -0.573 0.000 0.953 774 K CB 0.687 32.907 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.045 120.602 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.126 175.781 176.000 -0.155 0.000 0.863 775 Q CA 0.429 56.118 55.803 -0.190 0.000 0.939 775 Q CB 0.515 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 0.352 121.432 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 776 L C 0.727 177.470 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.190 0.000 0.818 776 L CB 1.663 43.619 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.065 121.156 121.223 -0.220 0.000 2.477 777 L HA 0.249 4.588 4.340 -0.000 0.000 0.220 777 L C 0.577 177.335 176.870 -0.188 0.000 1.106 777 L CA 0.740 55.454 54.840 -0.209 0.000 0.851 777 L CB 0.276 42.188 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.260 114.172 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.092 0.000 1.119 778 T CA -1.276 60.745 62.100 -0.131 0.000 1.008 778 T CB 2.324 71.091 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.764 176.508 177.300 -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 0.010 0.000 0.923 780 L N 3.912 125.143 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 780 L C 0.543 177.359 176.870 -0.089 0.000 1.108 780 L CA 0.458 55.331 54.840 0.054 0.000 0.852 780 L CB -0.781 41.419 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 0.617 4.957 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 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.897 121.207 120.400 -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 54.334 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 1.640 120.852 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.650 4.340 -0.000 0.000 0.270 783 Q C -1.210 174.057 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.869 0.000 0.812 783 Q CB 0.849 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 57.504 58.000 -0.694 0.000 1.219 784 F CB 1.509 39.894 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.795 113.504 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.488 173.974 174.700 -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 -0.541 119.752 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.164 175.181 176.300 0.075 0.000 1.000 786 R CA -1.184 54.843 56.100 -0.121 0.000 0.906 786 R CB 1.489 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 3.383 126.236 122.820 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 -1.556 50.516 52.037 0.059 0.000 0.858 787 A CB -0.468 18.518 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 -0.208 177.194 177.300 0.170 0.000 1.158 788 P CA 0.766 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 -0.585 54.267 54.840 0.019 0.000 0.804 789 L CB 0.070 42.075 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.437 120.792 120.400 -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 1.500 55.390 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 1.135 119.786 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.192 176.724 175.510 0.036 0.000 1.015 791 N CA 0.783 53.815 53.050 -0.029 0.000 0.862 791 N CB -0.296 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 0.171 120.608 120.400 0.060 0.000 2.264 792 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 792 D C 1.892 178.261 176.300 0.114 0.000 0.966 792 D CA 0.430 54.509 54.000 0.131 0.000 0.864 792 D CB 0.152 41.107 40.800 0.257 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.417 120.199 120.570 0.077 0.000 2.729 793 I HA 0.111 4.280 4.170 -0.000 0.000 0.256 793 I C 1.891 178.043 176.117 0.058 0.000 1.115 793 I CA 0.604 61.940 61.300 0.059 0.000 1.446 793 I CB -0.147 37.866 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.421 110.267 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.279 0.000 1.165 794 G CA 0.932 46.141 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.211 117.807 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.953 177.069 176.094 0.037 0.000 1.403 795 V CA 1.027 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 1.255 nan 8.190 nan 0.000 0.463 796 S N 1.321 117.047 115.700 0.042 0.000 2.533 796 S HA 0.360 4.830 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 0.465 63.673 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.860 122.068 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.639 177.252 176.600 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 1.464 124.303 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.116 179.713 177.584 0.022 0.000 1.191 798 A CA 2.792 54.848 52.037 0.031 0.000 0.638 798 A CB -1.235 17.789 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.330 112.235 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 799 T C 1.187 175.887 174.700 0.001 0.000 1.040 799 T CA 1.295 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 0.548 121.045 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.119 175.172 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.205 30.486 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.850 122.414 120.570 -0.011 0.000 2.634 801 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 801 I C 0.238 176.340 176.117 -0.025 0.000 1.124 801 I CA 0.526 61.819 61.300 -0.011 0.000 1.417 801 I CB 0.808 38.804 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.669 129.052 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.693 174.565 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.603 54.000 -0.045 0.000 0.901 802 D CB 1.145 41.921 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.169 nan 4.420 nan 0.000 0.219 803 P C 0.428 177.635 177.300 -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 31.937 31.700 -0.081 0.000 0.771 804 N N -0.553 118.047 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.842 176.146 175.510 -0.345 0.000 1.082 804 N CA 0.091 52.987 53.050 -0.257 0.000 0.885 804 N CB -0.063 38.288 38.487 -0.227 0.000 0.977 804 N HN 0.096 nan 8.380 nan 0.000 0.462 805 A N 0.668 123.348 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 805 A C 0.764 178.143 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.011 18.940 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.922 122.958 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.245 176.519 -0.908 0.000 1.241 806 W CA 1.935 58.734 57.345 -0.911 0.000 1.264 806 W CB -0.477 28.293 29.460 -1.150 0.000 1.154 806 W HN 0.565 nan 8.180 nan 0.000 0.483 807 V N 0.776 120.609 119.914 -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 2.283 64.731 62.300 0.248 0.000 1.042 807 V CB -0.474 31.513 31.823 0.273 0.000 0.650 807 V HN 0.092 nan 8.190 nan 0.000 0.450 808 E N 0.165 120.369 120.200 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 1.508 57.903 56.400 -0.008 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 -0.394 120.007 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.314 178.570 176.300 -0.074 0.000 1.126 809 R CA 1.067 57.052 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 2.121 123.379 121.300 -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 0.474 57.680 57.345 -0.232 0.000 1.274 810 W CB -0.590 28.870 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.094 120.533 120.400 0.378 0.000 1.985 811 K HA -0.124 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 31.940 32.500 0.218 0.000 0.716 811 K HN -0.016 nan 8.250 nan 0.000 0.439 812 A N 1.283 124.149 122.820 0.076 0.000 1.978 812 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 812 A C 2.214 179.803 177.584 0.008 0.000 1.170 812 A CA 1.952 54.012 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 -2.067 120.736 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.932 179.427 177.584 -0.149 0.000 1.152 813 A CA 1.341 53.357 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 -1.860 106.802 108.800 -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 0.624 175.484 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.436 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.237 117.784 119.070 -0.082 0.000 2.353 815 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 815 H C 2.192 177.479 175.328 -0.069 0.000 1.103 815 H CA 1.675 57.682 56.048 -0.069 0.000 1.293 815 H CB 0.032 29.691 29.762 -0.171 0.000 1.372 815 H HN 0.597 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.214 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.646 177.624 175.900 0.131 0.000 1.141 816 Y CA 0.804 58.981 58.100 0.129 0.000 1.308 816 Y CB 0.322 38.845 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.976 118.980 119.800 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 0.292 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.310 29.192 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.103 124.103 122.820 0.301 0.000 2.351 818 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 818 A C -0.098 177.735 177.584 0.414 0.000 1.087 818 A CA -0.179 52.075 52.037 0.362 0.000 0.798 818 A CB 0.522 19.724 19.000 0.336 0.000 1.033 818 A HN 0.309 nan 8.150 nan 0.000 0.488 819 E N 0.613 120.997 120.200 0.306 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.070 176.513 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.288 56.400 0.175 0.000 0.770 819 E CB 1.712 31.482 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.365 125.047 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 820 A C -0.230 177.181 177.584 -0.288 0.000 1.082 820 A CA -0.062 51.533 52.037 -0.737 0.000 0.785 820 A CB 0.529 19.100 19.000 -0.716 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 -0.696 176.783 177.584 -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 0.626 177.348 176.870 -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 -0.330 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.640 124.709 121.223 -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 0.191 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 -0.583 119.121 119.800 -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 2.284 30.997 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.782 122.062 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.062 173.998 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.030 0.000 1.260 825 C CB 0.814 28.563 27.740 0.015 0.000 1.764 825 C HN 0.922 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 -0.535 174.035 174.700 -0.217 0.000 1.108 826 T CA -0.019 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.832 70.685 68.868 -0.026 0.000 1.159 826 T HN 2.018 nan 8.240 nan 0.000 0.499 827 A N 1.607 124.169 122.820 -0.431 0.000 2.401 827 A HA 0.838 5.158 4.320 -0.000 0.000 0.310 827 A C -1.207 176.163 177.584 -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 -1.274 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.199 120.434 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 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 -0.012 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.412 43.142 40.800 -0.117 0.000 1.587 828 D HN 0.411 nan 8.370 nan 0.000 0.463 829 T N 1.848 116.346 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.111 174.784 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.894 69.740 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.701 122.900 121.223 -0.041 0.000 2.376 830 L HA 0.667 5.007 4.340 -0.000 0.000 0.267 830 L C 1.752 178.612 176.870 -0.017 0.000 1.035 830 L CA -0.481 54.342 54.840 -0.028 0.000 0.800 830 L CB 0.130 42.171 42.059 -0.029 0.000 1.290 830 L HN 0.694 nan 8.230 nan 0.000 0.462 831 A N -0.276 122.537 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.864 178.447 177.584 -0.001 0.000 1.164 831 A CA 1.946 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 -2.575 117.823 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 -0.000 0.000 0.217 832 D C 0.261 176.555 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.460 41.262 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 -1.773 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.740 19.713 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.275 120.136 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.921 175.092 176.094 -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 -0.147 0.000 2.356 835 L HA 0.681 5.021 4.340 -0.000 0.000 0.277 835 L C -0.969 175.786 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.476 43.481 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.452 123.917 120.570 -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 60.745 61.300 -0.229 0.000 1.113 836 I CB 1.786 39.458 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 0.851 5.201 4.350 -0.000 0.000 0.292 837 T C -0.365 174.388 174.700 0.089 0.000 1.012 837 T CA -0.462 61.676 62.100 0.064 0.000 0.982 837 T CB 2.042 70.927 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.452 114.196 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.752 174.031 174.700 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 1.619 nan 8.240 nan 0.000 0.518 839 A N 1.319 124.154 122.820 0.024 0.000 2.480 839 A HA 0.712 5.032 4.320 -0.000 0.000 0.289 839 A C -1.484 176.059 177.584 -0.068 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.669 19.699 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 0.877 5.433 4.556 -0.000 0.000 0.369 840 H C -0.002 175.344 175.328 0.029 0.000 1.174 840 H CA 0.108 56.124 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 1.058 nan 8.280 nan 0.000 0.558 841 A N 1.027 123.839 122.820 -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 2.095 123.478 121.300 0.138 0.000 2.361 842 W HA 0.450 5.110 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 1.587 31.124 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.383 121.286 119.800 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 1.033 120.120 119.070 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 0.048 0.000 1.430 844 H CB 1.034 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 3.300 122.872 119.800 -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 1.172 56.823 55.803 -0.254 0.000 0.854 845 Q CB -1.444 27.111 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.291 108.484 108.800 -0.042 0.000 2.234 846 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.388 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 0.703 45.797 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.099 121.516 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.233 176.380 176.600 0.021 0.000 0.983 847 K CA -0.110 56.197 56.287 0.032 0.000 0.893 847 K CB 0.907 33.435 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.518 120.074 114.554 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 0.088 176.509 176.870 -0.747 0.000 1.074 849 L CA 0.988 55.388 54.840 -0.734 0.000 0.757 849 L CB -0.109 41.027 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.036 118.870 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.923 57.006 58.000 -0.119 0.000 0.954 850 F CB 2.162 40.752 39.000 -0.684 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.390 122.216 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.384 176.117 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 6.968 123.041 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.728 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.754 64.391 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.616 124.288 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.700 175.679 176.300 0.132 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.842 32.239 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.635 121.106 120.400 0.119 0.000 2.395 854 K HA 0.540 4.860 4.320 -0.000 0.000 0.245 854 K C -0.651 175.929 176.600 -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 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.367 113.087 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.485 173.118 174.700 -0.161 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.399 69.255 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.468 121.753 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.433 176.282 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.932 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 -2.031 174.232 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.743 56.100 -0.013 0.000 0.881 857 R CB 0.739 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 5.085 125.564 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.279 175.738 176.117 -0.166 0.000 0.994 858 I CA -0.895 60.252 61.300 -0.254 0.000 1.191 858 I CB 1.489 39.175 38.000 -0.525 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.370 124.705 120.400 -0.107 0.000 2.549 859 D HA 0.239 4.879 4.640 -0.000 0.000 0.270 859 D C 1.217 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.703 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.779 41.567 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.446 107.350 108.800 -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 1.125 176.030 174.900 0.008 0.000 1.137 860 G CA 0.878 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 -1.007 114.698 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.925 59.131 58.200 0.012 0.000 0.912 861 S CB 0.047 63.252 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.819 109.665 108.800 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 0.037 176.051 176.000 0.024 0.000 0.951 863 Q CA -0.542 55.312 55.803 0.086 0.000 0.890 863 Q CB 1.926 30.714 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.887 121.537 119.600 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 1.182 33.822 32.600 0.067 0.000 1.551 864 M HN 0.784 nan 8.290 nan 0.000 0.427 865 A N 6.918 129.803 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 865 A C -0.831 176.800 177.584 0.078 0.000 1.229 865 A CA -0.664 51.436 52.037 0.106 0.000 0.851 865 A CB 0.480 19.523 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.406 122.006 120.570 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 -0.377 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.402 40.364 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.861 119.258 114.554 -0.261 0.000 2.879 867 T HA 0.538 4.888 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 61.572 62.100 -0.263 0.000 0.975 867 T CB 1.861 70.670 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.183 123.762 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.783 175.144 176.094 -0.278 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.084 33.340 31.823 -0.944 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.352 123.759 120.400 0.012 0.000 2.696 869 D HA 0.535 5.175 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 43.840 40.800 0.237 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.806 121.895 119.914 0.292 0.000 2.715 870 V HA 0.376 4.495 4.120 -0.000 0.000 0.310 870 V C 0.028 176.280 176.094 0.264 0.000 1.054 870 V CA -0.735 61.742 62.300 0.295 0.000 0.928 870 V CB 2.631 34.648 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.751 122.093 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.650 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.959 56.400 0.202 0.000 0.761 871 E CB 2.612 32.414 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.116 122.160 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 872 V C 0.028 176.237 176.094 0.192 0.000 1.028 872 V CA -0.910 61.543 62.300 0.255 0.000 0.860 872 V CB 1.559 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 1.630 179.302 177.584 0.147 0.000 1.063 873 A CA 0.665 52.766 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 1.380 nan 8.150 nan 0.000 0.503 874 S N 1.304 117.080 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.885 175.571 174.600 0.144 0.000 1.007 874 S CA 1.342 59.630 58.200 0.147 0.000 0.965 874 S CB -0.268 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.460 120.924 120.400 0.106 0.000 2.342 875 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 875 D C 0.524 176.875 176.300 0.086 0.000 1.101 875 D CA -0.012 54.037 54.000 0.081 0.000 0.837 875 D CB -0.265 40.566 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 0.456 4.805 4.350 -0.000 0.000 0.284 876 T C -2.690 172.136 174.700 0.209 0.000 1.015 876 T CA -2.025 60.183 62.100 0.180 0.000 1.042 876 T CB 1.392 70.398 68.868 0.229 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 3.079 122.488 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.901 173.762 175.328 0.558 0.000 1.015 878 H CA -1.635 54.691 56.048 0.463 0.000 1.429 878 H CB -0.963 29.003 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 0.451 177.669 177.300 -0.138 0.000 1.228 879 P CA -0.300 62.861 63.100 0.101 0.000 0.786 879 P CB 0.770 32.373 31.700 -0.162 0.000 0.927 880 A N 3.478 125.990 122.820 -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 1.571 53.251 52.037 -0.595 0.000 0.635 880 A CB -0.605 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.768 nan 8.150 nan 0.000 0.446 881 R N -3.014 117.159 120.500 -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 0.538 30.486 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.158 121.528 120.570 -0.334 0.000 2.540 882 I HA 0.640 4.810 4.170 -0.000 0.000 0.280 882 I C -0.444 175.433 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.661 61.300 -0.326 0.000 1.080 882 I CB 1.728 39.617 38.000 -0.186 0.000 1.205 882 I HN 1.010 nan 8.210 nan 0.000 0.459 883 G N 5.929 114.452 108.800 -0.462 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 -1.768 172.957 174.900 -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 0.672 121.770 121.223 -0.208 0.000 2.327 884 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 884 L C -0.845 175.920 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.638 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 0.224 118.850 118.700 -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 40.633 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.927 117.420 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.377 173.532 174.990 -0.136 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.936 28.681 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 0.639 4.979 4.340 -0.000 0.000 0.259 887 Q C -1.008 174.715 176.000 -0.460 0.000 0.993 887 Q CA -0.422 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.822 28.634 28.738 -1.543 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.742 123.779 121.223 -0.311 0.000 2.397 888 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 888 L C 1.200 177.983 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.526 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 2.546 125.300 122.820 -0.109 0.000 1.969 889 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 889 A C 1.132 178.680 177.584 -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 18.668 19.000 -0.116 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.597 119.197 119.800 -0.011 0.000 2.382 890 Q HA 0.464 4.804 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 0.098 55.893 55.803 -0.014 0.000 0.916 890 Q CB 0.936 29.670 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.097 121.987 119.914 -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 1.100 32.934 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.279 126.008 122.820 -0.151 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.631 178.257 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.175 0.000 0.860 892 A CB 1.497 20.195 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.294 119.934 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 -0.000 0.000 0.189 893 E C 0.613 177.299 176.600 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 2.141 32.527 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.550 121.652 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.652 175.710 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.913 33.908 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 5.288 4.740 -0.000 0.000 0.291 896 N C -1.469 174.311 175.510 0.451 0.000 1.040 896 N CA -0.399 52.872 53.050 0.368 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 3.139 124.497 121.300 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 3.909 125.145 121.223 0.023 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.022 176.798 176.870 -0.082 0.000 1.012 898 L CA 0.394 55.080 54.840 -0.256 0.000 0.859 898 L CB 0.758 42.719 42.059 -0.163 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.660 112.324 108.800 -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 -1.587 173.466 174.900 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 0.111 0.000 1.113 900 L CA 0.511 55.494 54.840 0.238 0.000 0.849 900 L CB 0.441 42.572 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.558 112.161 108.800 -0.330 0.000 2.606 901 G HA2 0.472 4.431 3.960 -0.000 0.000 0.300 901 G HA3 0.472 4.431 3.960 -0.000 0.000 0.300 901 G C -2.749 171.286 174.900 -1.442 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 0.209 177.304 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.808 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 4.475 4.340 -0.000 0.000 0.222 903 Q C 0.336 176.210 176.000 -0.210 0.000 1.003 903 Q CA -0.525 55.154 55.803 -0.205 0.000 0.936 903 Q CB 0.783 29.428 28.738 -0.155 0.000 1.204 903 Q HN 0.176 nan 8.270 nan 0.000 0.524 904 E N 1.388 121.474 120.200 -0.190 0.000 2.608 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.259 904 E C -1.027 175.482 176.600 -0.152 0.000 0.951 904 E CA 0.360 56.640 56.400 -0.201 0.000 0.945 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.916 904 E HN 0.612 nan 8.360 nan 0.000 0.477 905 N N 2.774 121.302 118.700 -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 52.256 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 -0.187 120.024 120.300 -0.148 0.000 2.602 906 Y HA 0.514 5.064 4.550 -0.000 0.000 0.342 906 Y C -1.654 174.180 175.900 -0.111 0.000 1.029 906 Y CA -2.061 55.941 58.100 -0.162 0.000 1.080 906 Y CB 1.749 40.106 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.189 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 2.210 65.358 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.104 118.037 120.400 -0.431 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.554 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.033 53.575 54.000 -0.764 0.000 0.833 908 D CB -0.246 39.766 40.800 -1.313 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.018 121.479 120.500 -0.064 0.000 2.928 909 R HA 0.213 4.553 4.340 -0.000 0.000 0.248 909 R C -0.763 175.572 176.300 0.058 0.000 1.796 909 R CA -0.219 55.898 56.100 0.029 0.000 1.477 909 R CB 0.082 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 -0.893 120.374 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.235 178.168 176.870 0.105 0.000 1.247 910 L CA 0.225 55.106 54.840 0.068 0.000 1.133 910 L CB 0.114 42.195 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.379 112.265 114.554 0.150 0.000 2.881 911 T HA 0.002 4.352 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 1.390 63.605 62.100 0.192 0.000 1.131 911 T CB -0.292 68.730 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.207 122.820 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 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.876 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 -0.000 0.000 0.345 916 D C -1.508 173.878 176.300 -1.523 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.203 42.221 40.800 -1.304 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.523 120.174 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 917 R C -1.274 174.218 176.300 -1.346 0.000 0.989 917 R CA -0.412 55.012 56.100 -1.126 0.000 0.842 917 R CB 0.505 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 -0.449 175.681 176.519 -0.650 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.568 29.887 29.460 -1.901 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.104 123.450 120.400 -0.091 0.000 2.686 919 D HA 0.519 5.159 4.640 -0.000 0.000 0.249 919 D C -1.276 175.121 176.300 0.162 0.000 1.260 919 D CA -0.121 53.925 54.000 0.078 0.000 0.910 919 D CB 1.211 42.023 40.800 0.020 0.000 1.323 919 D HN 0.394 nan 8.370 nan 0.000 0.561 920 L N 2.653 124.043 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 -0.000 0.000 0.251 920 L C -2.558 174.436 176.870 0.205 0.000 1.064 920 L CA -2.135 52.845 54.840 0.232 0.000 0.859 920 L CB 2.734 44.964 42.059 0.284 0.000 1.468 920 L HN 0.186 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.464 177.842 177.300 0.131 0.000 1.276 921 P CA -0.509 62.670 63.100 0.131 0.000 0.808 921 P CB 1.319 33.076 31.700 0.094 0.000 0.966 922 L N 3.681 124.987 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.187 179.110 176.870 0.088 0.000 1.080 922 L CA 2.844 57.752 54.840 0.114 0.000 0.776 922 L CB -1.525 40.615 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.814 113.940 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.243 59.505 58.200 0.103 0.000 0.993 923 S CB -0.774 62.477 63.200 0.084 0.000 0.808 923 S HN 0.528 nan 8.310 nan 0.000 0.478 924 D N 1.322 121.773 120.400 0.086 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.195 177.511 176.300 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 0.062 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 -0.155 176.164 176.300 0.031 0.000 1.171 925 M CA -0.019 55.265 55.300 -0.027 0.000 0.993 925 M CB -0.966 31.598 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.158 120.097 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.854 174.965 175.900 -0.134 0.000 0.969 926 Y CA -0.804 57.253 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 8.634 122.644 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.198 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.981 62.100 -1.041 0.000 0.983 927 T CB 0.960 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 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.896 30.526 31.700 -0.462 0.000 1.890 929 Y N -0.429 119.755 120.300 -0.194 0.000 2.632 929 Y HA -0.091 4.459 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 -0.496 57.566 58.100 -0.062 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 4.317 124.420 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.627 176.872 176.094 0.253 0.000 1.060 930 V CA 1.678 64.147 62.300 0.281 0.000 1.030 930 V CB -0.511 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 3.400 123.385 119.950 0.059 0.000 2.391 931 F HA 0.512 5.039 4.527 -0.000 0.000 0.359 931 F C -2.324 173.473 175.800 -0.005 0.000 1.122 931 F CA -3.189 54.797 58.000 -0.023 0.000 1.120 931 F CB 0.960 39.836 39.000 -0.208 0.000 1.142 931 F HN -0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.228 175.768 177.300 -0.508 0.000 1.238 932 P CA -0.182 62.654 63.100 -0.440 0.000 0.794 932 P CB 1.661 33.167 31.700 -0.324 0.000 0.955 933 S N -0.356 115.237 115.700 -0.178 0.000 2.656 933 S HA 0.375 4.845 4.470 -0.000 0.000 0.265 933 S C -0.834 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.247 63.431 63.200 -0.027 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.430 120.200 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 0.075 0.000 0.961 934 E CA 1.140 57.563 56.400 0.039 0.000 0.945 934 E CB -0.313 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 1.174 119.948 118.700 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 0.509 39.089 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.397 107.411 108.800 0.014 0.000 2.189 936 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.267 936 G HA3 -0.280 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 45.558 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.967 121.874 121.223 -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 0.324 54.617 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 3.851 123.707 120.500 -1.074 0.000 2.532 938 R HA 0.475 4.815 4.340 -0.000 0.000 0.297 938 R C -1.067 174.866 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.841 0.000 0.884 938 R CB 0.730 30.490 30.300 -0.900 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 0.088 58.991 59.018 -0.193 0.000 2.033 939 C CB 0.963 28.617 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.693 110.483 108.800 -0.016 0.000 2.338 940 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.296 940 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.296 940 G C -0.142 174.819 174.900 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 -0.495 0.000 0.984 941 T CA -0.528 61.445 62.100 -0.212 0.000 1.049 941 T CB 1.706 70.420 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.907 121.324 120.500 -0.139 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.449 176.800 176.300 0.086 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 1.055 121.323 120.200 0.114 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 -0.631 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 4.168 125.602 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 944 L C -1.934 175.176 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 54.840 0.277 0.000 0.822 944 L CB 1.814 43.889 42.059 0.027 0.000 1.285 944 L HN 0.469 nan 8.230 nan 0.000 0.409 945 N N 4.470 123.367 118.700 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 40.648 38.487 0.211 0.000 1.370 945 N HN 0.604 nan 8.380 nan 0.000 0.481 946 Y N 1.371 121.852 120.300 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 0.117 58.371 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 6.491 115.207 108.800 -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 -1.832 173.007 174.900 -0.101 0.000 1.209 947 G CA -0.068 44.923 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 -0.400 0.000 1.178 948 P CA 1.105 64.028 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 -0.362 118.663 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.332 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.128 55.758 56.048 -0.271 0.000 1.339 949 H CB 0.767 30.202 29.762 -0.545 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 -0.447 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 -0.250 0.000 0.831 950 Q CB 1.670 30.390 28.738 -0.029 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.609 124.911 121.300 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 2.418 32.884 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.916 110.014 108.800 0.497 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 0.415 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 -0.984 175.366 176.300 0.083 0.000 1.306 954 D CA -0.228 53.814 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 -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.719 39.650 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.360 121.264 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.417 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.590 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.278 118.558 119.950 -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 -1.038 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.461 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 0.891 119.446 118.700 -0.242 0.000 2.494 958 N HA 0.711 5.450 4.740 -0.000 0.000 0.270 958 N C -2.189 173.300 175.510 -0.035 0.000 1.285 958 N CA -0.704 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.529 40.838 38.487 -0.296 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.372 120.902 120.570 -0.067 0.000 2.649 959 I HA 0.660 4.830 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 61.323 61.300 -0.104 0.000 1.046 959 I CB 1.269 39.142 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.335 122.015 115.700 -0.034 0.000 2.755 960 S HA 0.553 5.023 4.470 -0.000 0.000 0.286 960 S C -0.321 174.242 174.600 -0.061 0.000 1.207 960 S CA -0.965 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.626 64.894 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.022 120.288 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.101 174.865 176.300 -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 29.408 30.300 -0.672 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 0.007 0.000 2.391 962 Y HA 0.234 4.783 4.550 -0.000 0.000 0.341 962 Y C 0.704 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.203 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 -0.075 nan 8.280 nan 0.000 0.450 963 S N 1.753 117.119 115.700 -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 -0.513 0.000 1.334 963 S CA -0.636 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 0.726 120.228 119.800 -0.497 0.000 2.124 964 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 964 Q C 2.224 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.871 57.517 55.803 -0.262 0.000 0.850 964 Q CB -0.508 28.111 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.689 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.114 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 1.432 57.147 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 0.387 nan 8.270 nan 0.000 0.422 966 Q N 0.116 119.821 119.800 -0.158 0.000 2.030 966 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 966 Q C 2.293 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.734 57.464 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 0.112 121.237 121.223 -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 1.441 56.169 54.840 -0.185 0.000 0.752 967 L CB -0.424 41.545 42.059 -0.151 0.000 0.891 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -0.512 119.003 119.600 -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 1.677 56.904 55.300 -0.120 0.000 1.114 968 M CB 0.098 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 -0.654 119.489 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 969 E C -0.230 176.339 176.600 -0.051 0.000 1.041 969 E CA 0.149 56.515 56.400 -0.057 0.000 0.874 969 E CB 0.435 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 0.254 114.750 114.554 -0.098 0.000 2.829 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.282 970 T C 1.116 175.750 174.700 -0.111 0.000 0.990 970 T CA -0.403 61.645 62.100 -0.087 0.000 1.028 970 T CB 1.678 70.472 68.868 -0.124 0.000 0.951 970 T HN 0.033 nan 8.240 nan 0.000 0.460 971 S N 1.478 117.205 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.245 174.940 174.600 0.157 0.000 1.011 971 S CA 0.132 58.427 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 0.709 119.815 119.070 0.061 0.000 2.717 972 H HA 0.532 5.088 4.556 -0.000 0.000 0.366 972 H C 1.036 176.410 175.328 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 1.539 122.200 120.500 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 2.002 58.181 56.100 0.132 0.000 0.959 973 R CB -0.622 29.758 30.300 0.134 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.680 120.777 119.070 0.044 0.000 2.518 974 H HA -0.031 4.525 4.556 -0.000 0.000 0.292 974 H C 1.434 176.709 175.328 -0.088 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 0.827 121.753 121.223 -0.495 0.000 2.611 975 L HA 0.256 4.596 4.340 -0.000 0.000 0.229 975 L C 0.306 177.094 176.870 -0.136 0.000 1.137 975 L CA -0.147 54.457 54.840 -0.393 0.000 0.901 975 L CB 0.001 41.814 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.838 121.991 121.223 -0.117 0.000 2.375 976 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 976 L C 0.186 177.108 176.870 0.086 0.000 1.107 976 L CA -0.424 54.361 54.840 -0.090 0.000 0.806 976 L CB 0.748 42.594 42.059 -0.354 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.356 120.508 119.070 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.764 174.627 175.328 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 3.465 126.276 122.820 -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 -0.100 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 -0.706 55.707 56.400 0.022 0.000 0.929 979 E CB 0.724 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 0.332 120.521 120.200 -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 58.138 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 -1.458 107.221 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.223 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.223 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 0.486 114.928 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.488 173.064 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.495 70.396 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 0.608 5.268 4.660 -0.000 0.000 0.311 983 W C -0.333 176.073 176.519 -0.189 0.000 1.217 983 W CA -0.730 56.529 57.345 -0.142 0.000 1.199 983 W CB 0.831 30.216 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.621 126.906 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.160 175.641 176.870 -0.115 0.000 0.988 984 L CA -0.571 54.200 54.840 -0.116 0.000 0.824 984 L CB 1.064 42.920 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.967 125.582 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.187 174.205 175.510 -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 1.755 122.160 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.639 175.314 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.469 39.131 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.530 124.805 120.400 -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 2.485 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 1.117 109.373 108.800 -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 0.467 44.750 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.803 117.953 119.950 -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 1.937 40.789 39.000 -0.247 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.731 121.833 119.070 0.053 0.000 2.947 990 H HA 0.407 4.963 4.556 -0.000 0.000 0.354 990 H C -1.070 174.290 175.328 0.053 0.000 1.085 990 H CA -0.755 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.365 32.102 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.939 122.490 119.600 -0.083 0.000 2.240 991 M HA 0.281 4.761 4.480 -0.000 0.000 0.317 991 M C 0.406 176.824 176.300 0.197 0.000 1.087 991 M CA 0.552 55.877 55.300 0.042 0.000 1.176 991 M CB 0.401 32.924 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.277 111.169 108.800 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 -0.288 44.831 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 0.956 nan 8.210 nan 0.000 0.427 994 G N 1.622 110.369 108.800 -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 0.141 45.229 45.100 -0.020 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.403 106.406 108.800 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 1.292 121.756 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 -0.000 0.000 0.199 996 D C 0.948 177.273 176.300 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 41.014 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.762 116.465 120.400 -0.288 0.000 2.653 997 D HA 0.282 4.922 4.640 -0.000 0.000 0.258 997 D C -0.795 174.998 176.300 -0.844 0.000 1.252 997 D CA -0.722 52.689 54.000 -0.982 0.000 0.777 997 D CB 0.808 40.534 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.304 114.715 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.481 174.199 174.600 0.135 0.000 1.001 998 S CA -0.653 57.428 58.200 -0.198 0.000 0.984 998 S CB -0.524 62.834 63.200 0.264 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.234 122.477 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.042 176.431 176.519 -0.077 0.000 0.914 999 W CA -0.640 56.657 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 -1.273 114.313 115.700 -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 0.289 177.621 177.300 0.052 0.000 1.233 1001 P CA -0.217 62.895 63.100 0.021 0.000 0.764 1001 P CB 0.802 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 0.331 175.007 174.600 0.126 0.000 1.025 1002 S CA -0.308 57.933 58.200 0.068 0.000 1.016 1002 S CB -0.219 62.976 63.200 -0.008 0.000 0.977 1002 S HN 0.120 nan 8.310 nan 0.000 0.546 1003 V N 4.304 124.336 119.914 0.197 0.000 2.455 1003 V HA 0.397 4.517 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.396 62.020 62.300 0.194 0.000 0.976 1003 V CB 0.694 32.593 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.450 120.338 115.700 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 58.301 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 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.039 124.949 122.820 0.150 0.000 1.915 1005 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.476 177.584 -0.009 0.000 1.198 1005 A CA 2.217 54.315 52.037 0.103 0.000 0.647 1005 A CB -1.357 17.682 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.903 119.197 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.841 177.056 176.600 -0.642 0.000 1.008 1006 E CA 1.185 57.313 56.400 -0.453 0.000 0.843 1006 E CB -0.406 28.829 29.700 -0.775 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.692 120.690 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.482 176.321 175.800 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 -0.210 175.818 176.000 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 2.406 123.637 121.223 0.013 0.000 2.399 1009 L HA 0.091 4.431 4.340 -0.000 0.000 0.257 1009 L C 0.690 177.460 176.870 -0.168 0.000 1.236 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.144 1009 L CB -0.392 41.534 42.059 -0.222 0.000 1.379 1009 L HN 0.716 nan 8.230 nan 0.000 0.414 1010 S N -1.084 114.458 115.700 -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 0.698 63.598 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.694 124.472 122.820 -0.070 0.000 2.019 1011 A HA 0.397 4.717 4.320 -0.000 0.000 0.219 1011 A C 2.167 179.613 177.584 -0.229 0.000 1.164 1011 A CA 1.471 53.335 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 1.508 nan 8.150 nan 0.000 0.449 1012 G N -1.599 107.183 108.800 -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 0.431 175.342 174.900 0.018 0.000 1.103 1012 G CA 0.445 45.567 45.100 0.037 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.598 119.761 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.570 174.475 176.300 -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 0.156 120.468 120.300 0.020 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.401 175.698 175.900 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 40.464 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.271 121.662 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.749 173.953 175.328 0.623 0.000 1.132 1015 H CA -1.000 55.322 56.048 0.457 0.000 1.180 1015 H CB 1.410 31.325 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.088 121.094 120.300 -0.490 0.000 2.624 1016 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 1016 Y C -1.994 173.701 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.861 58.100 -0.291 0.000 1.046 1016 Y CB 1.278 39.661 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.079 122.837 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.811 174.241 176.000 0.087 0.000 1.085 1017 Q CA -1.124 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.708 32.474 28.738 0.046 0.000 1.405 1017 Q HN 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.798 122.059 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.368 176.870 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 1.651 121.699 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.028 175.245 176.094 0.300 0.000 1.034 1019 V CA -0.448 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.106 34.047 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