REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jyy_1_A DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.147 176.117 0.049 0.000 1.063 3 I CA 0.000 61.327 61.300 0.045 0.000 1.566 3 I CB 0.000 38.019 38.000 0.031 0.000 1.214 4 T N -1.832 112.758 114.554 0.061 0.000 3.113 4 T HA 0.152 4.502 4.350 -0.000 0.000 0.256 4 T C 0.807 175.557 174.700 0.083 0.000 1.131 4 T CA 1.210 63.336 62.100 0.044 0.000 1.074 4 T CB -0.562 68.329 68.868 0.039 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.292 122.794 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.828 177.327 176.300 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 0.405 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.128 115.916 115.700 0.148 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.077 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 2.631 57.501 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 -1.441 121.383 122.820 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 0.282 nan 8.150 nan 0.000 0.458 9 V N -1.014 118.892 119.914 -0.014 0.000 2.331 9 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 9 V C 2.526 178.559 176.094 -0.101 0.000 1.034 9 V CA 1.664 63.936 62.300 -0.046 0.000 1.027 9 V CB -0.182 31.618 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.842 120.670 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.269 178.259 176.094 -0.174 0.000 1.054 10 V CA 2.411 64.521 62.300 -0.316 0.000 1.015 10 V CB -0.774 30.810 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.263 121.476 121.223 -0.017 0.000 2.642 11 L HA -0.156 4.184 4.340 -0.000 0.000 0.236 11 L C 2.452 179.402 176.870 0.132 0.000 1.169 11 L CA 0.928 55.892 54.840 0.205 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 2.240 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.101 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 -0.266 120.160 120.500 -0.124 0.000 2.120 13 R HA 0.058 4.398 4.340 -0.000 0.000 0.234 13 R C 0.322 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.907 56.897 56.100 -0.183 0.000 0.975 13 R CB -0.454 29.744 30.300 -0.170 0.000 0.866 13 R HN 0.107 nan 8.270 nan 0.000 0.446 14 R N 1.001 121.209 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.198 4.340 -0.000 0.000 0.252 14 R C -0.557 175.218 176.300 -0.875 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 -0.185 119.925 120.400 -0.483 0.000 2.218 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 15 D C 1.609 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.640 54.000 -0.338 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 1.736 123.061 121.300 0.042 0.000 3.096 16 W HA 0.114 4.774 4.660 -0.000 0.000 0.241 16 W C 0.491 177.124 176.519 0.189 0.000 1.316 16 W CA -0.109 57.370 57.345 0.224 0.000 1.520 16 W CB -0.197 29.422 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.940 120.971 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.828 175.663 176.600 -0.182 0.000 0.980 17 E CA -0.227 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.109 nan 8.360 nan 0.000 0.463 18 N N 1.212 119.826 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.252 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.869 51.063 53.050 -0.196 0.000 0.831 18 N CB 1.460 39.836 38.487 -0.184 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.176 178.254 177.300 -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 -0.584 108.037 108.800 -0.298 0.000 2.484 20 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 20 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 20 G C 0.350 175.182 174.900 -0.113 0.000 1.130 20 G CA 0.212 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 1.127 120.997 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.862 177.022 176.094 0.110 0.000 1.016 21 V CA 0.187 62.500 62.300 0.022 0.000 0.840 21 V CB 1.354 33.193 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.861 115.465 114.554 0.083 0.000 2.975 22 T HA 0.351 4.701 4.350 -0.000 0.000 0.257 22 T C 0.219 174.926 174.700 0.011 0.000 1.003 22 T CA 0.298 62.431 62.100 0.056 0.000 0.932 22 T CB 0.388 69.254 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.130 119.986 119.800 0.094 0.000 2.756 23 Q HA 0.708 5.048 4.340 -0.000 0.000 0.295 23 Q C -2.474 173.650 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.074 0.000 0.768 23 Q CB 0.787 29.506 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.532 123.907 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.830 176.211 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.418 43.783 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.165 119.982 118.700 0.195 0.000 2.753 25 N HA -0.237 4.502 4.740 -0.000 0.000 0.251 25 N C 0.527 176.111 175.510 0.123 0.000 1.097 25 N CA 0.845 54.000 53.050 0.176 0.000 0.786 25 N CB -0.670 37.919 38.487 0.170 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.161 121.608 120.500 -0.089 0.000 2.438 26 R HA 0.378 4.718 4.340 -0.000 0.000 0.287 26 R C 0.726 176.845 176.300 -0.301 0.000 1.077 26 R CA -0.363 55.392 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 2.517 123.551 121.223 -0.315 0.000 2.470 27 L HA 0.317 4.657 4.340 -0.000 0.000 0.243 27 L C 0.655 177.480 176.870 -0.076 0.000 1.227 27 L CA -0.601 54.170 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 0.364 123.189 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 -0.000 0.000 0.269 28 A C 0.140 177.789 177.584 0.109 0.000 1.094 28 A CA -0.222 51.838 52.037 0.038 0.000 0.807 28 A CB 0.521 19.561 19.000 0.066 0.000 1.047 28 A HN 0.753 nan 8.150 nan 0.000 0.487 29 A N 1.190 124.024 122.820 0.023 0.000 2.406 29 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.001 0.000 1.082 29 A CA 0.738 52.729 52.037 -0.076 0.000 0.786 29 A CB -0.176 18.758 19.000 -0.111 0.000 1.029 29 A HN 2.071 nan 8.150 nan 0.000 0.495 30 H N -2.574 116.427 119.070 -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 -0.345 0.000 1.446 30 H CA -1.444 54.502 56.048 -0.170 0.000 1.179 30 H CB -0.051 29.639 29.762 -0.120 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.567 61.309 63.100 -0.374 0.000 0.795 31 P CB -0.414 31.041 31.700 -0.408 0.000 1.038 32 P HA 0.105 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.878 63.870 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 1.202 176.971 175.800 -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 0.246 123.075 122.820 0.015 0.000 2.263 34 A HA 0.269 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 0.539 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 -0.320 115.275 115.700 -0.175 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.032 174.538 174.600 -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 61.342 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 1.433 122.088 120.500 0.259 0.000 2.509 37 R HA 0.075 4.414 4.340 -0.000 0.000 0.300 37 R C -0.062 176.321 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.432 29.929 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.255 118.549 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 -0.000 0.000 0.290 38 N C 0.510 176.019 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.023 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 3.016 118.688 115.700 -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 1.338 59.461 58.200 -0.129 0.000 1.060 39 S CB -0.391 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 1.330 121.413 120.200 -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 1.774 58.028 56.400 -0.243 0.000 0.823 40 E CB -0.642 28.968 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.167 120.227 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 41 E C 2.087 178.240 176.600 -0.744 0.000 1.003 41 E CA 1.156 57.416 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 1.621 123.581 122.820 -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 -1.116 0.000 1.182 42 A CA 2.019 52.652 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 0.150 nan 8.150 nan 0.000 0.448 43 R N -0.196 119.885 120.500 -0.699 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.554 177.601 176.300 -0.422 0.000 1.136 43 R CA 2.089 57.863 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 -2.204 112.135 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.003 174.630 174.700 -0.112 0.000 1.024 44 T CA 0.154 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.913 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.656 121.958 120.400 -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 0.227 0.000 1.160 45 D CA 0.418 54.460 54.000 0.071 0.000 0.645 45 D CB -0.452 40.415 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.244 120.407 120.500 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 -0.839 55.437 56.100 0.294 0.000 1.070 46 R CB -0.750 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 -0.488 62.710 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 1.955 117.554 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.093 175.657 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.249 0.000 1.051 48 S CB 0.596 63.390 63.200 -0.676 0.000 0.986 48 S HN 0.336 nan 8.310 nan 0.000 0.502 49 Q N 2.735 122.552 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.791 176.940 176.000 0.248 0.000 0.933 49 Q CA 0.313 56.195 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.435 120.302 119.800 0.111 0.000 2.444 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 50 Q C -0.019 176.038 176.000 0.094 0.000 0.948 50 Q CA 0.039 55.890 55.803 0.081 0.000 0.946 50 Q CB -0.034 28.645 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.240 122.529 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.057 175.899 176.870 0.144 0.000 1.004 51 L CA -0.464 54.430 54.840 0.091 0.000 0.823 51 L CB 1.443 43.480 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 55.686 56.100 0.113 0.000 0.887 52 R CB 2.220 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 3.236 118.961 115.700 0.042 0.000 2.562 53 S HA 0.303 4.773 4.470 -0.000 0.000 0.275 53 S C 0.870 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.583 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 0.288 4.628 4.340 -0.000 0.000 0.249 54 L C 0.031 177.120 176.870 0.367 0.000 1.172 54 L CA -0.321 54.600 54.840 0.134 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 1.653 120.490 118.700 0.229 0.000 2.518 55 N HA 0.493 5.233 4.740 -0.000 0.000 0.266 55 N C 0.657 176.325 175.510 0.264 0.000 1.196 55 N CA 0.736 53.923 53.050 0.228 0.000 0.947 55 N CB 1.774 40.317 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.539 109.530 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.478 45.100 0.283 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 0.059 56.651 56.400 0.320 0.000 0.871 57 E CB 0.662 30.465 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.583 122.958 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 -0.000 0.000 0.346 58 W C -0.505 176.111 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.948 30.553 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.526 122.291 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.535 174.949 176.300 0.307 0.000 0.961 59 R CA -0.800 55.483 56.100 0.305 0.000 0.862 59 R CB 1.962 32.387 30.300 0.208 0.000 1.144 59 R HN 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.377 121.323 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.287 174.377 175.800 -0.227 0.000 1.076 60 F CA -0.682 57.172 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 4.285 126.174 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.440 174.301 177.584 -1.405 0.000 1.050 61 A CA -0.521 50.837 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 2.500 123.062 121.300 -1.229 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.983 174.084 176.519 -0.755 0.000 1.052 62 W CA -0.554 56.265 57.345 -0.875 0.000 1.223 62 W CB 1.321 30.451 29.460 -0.551 0.000 1.383 62 W HN 0.502 nan 8.180 nan 0.000 0.524 63 F N 5.535 124.882 119.950 -1.006 0.000 2.591 63 F HA 0.329 4.856 4.527 -0.000 0.000 0.309 63 F C -1.416 173.559 175.800 -1.374 0.000 1.098 63 F CA -2.564 54.971 58.000 -0.775 0.000 0.937 63 F CB 1.547 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 0.127 0.000 0.780 65 A N -1.284 121.446 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 65 A C -2.402 175.081 177.584 -0.168 0.000 1.062 65 A CA -1.074 50.901 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 1.862 64.806 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.746 120.903 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 67 E C 1.818 178.383 176.600 -0.058 0.000 0.997 67 E CA 1.578 57.963 56.400 -0.025 0.000 0.810 67 E CB -1.229 28.493 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 1.110 178.591 177.584 -0.173 0.000 1.193 68 A CA -0.002 52.023 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 1.015 120.690 119.914 -0.399 0.000 2.834 69 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 69 V C -2.373 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.549 62.300 -0.649 0.000 1.052 69 V CB 1.048 32.304 31.823 -0.945 0.000 1.021 69 V HN 0.264 nan 8.190 nan 0.000 0.480 70 P HA 0.437 nan 4.420 nan 0.000 0.306 70 P C 0.175 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.794 33.513 31.700 0.032 0.000 1.013 71 E N 1.445 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.515 178.081 176.600 -0.056 0.000 1.004 71 E CA 2.139 58.508 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.455 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.102 115.592 115.700 -0.010 0.000 2.387 72 S HA -0.243 4.227 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 1.202 59.397 58.200 -0.007 0.000 1.014 72 S CB -0.785 62.434 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.641 123.858 121.300 -0.139 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.640 178.048 176.519 -0.186 0.000 1.228 73 W CA 1.133 58.385 57.345 -0.155 0.000 1.241 73 W CB -0.685 28.649 29.460 -0.209 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.039 120.971 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.456 0.000 1.083 74 L CA 1.537 55.964 54.840 -0.689 0.000 0.752 74 L CB -0.715 41.012 42.059 -0.553 0.000 0.899 74 L HN -0.048 nan 8.230 nan 0.000 0.433 75 E N -1.246 118.787 120.200 -0.278 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 0.448 56.744 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 1.917 121.148 119.300 -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 -1.271 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.566 29.294 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.272 121.681 120.400 0.016 0.000 2.378 77 D HA 0.218 4.858 4.640 -0.000 0.000 0.238 77 D C -0.126 176.248 176.300 0.125 0.000 1.180 77 D CA 0.442 54.499 54.000 0.096 0.000 0.895 77 D CB 0.672 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 0.638 42.772 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.587 177.899 177.300 0.021 0.000 1.156 79 P CA 0.896 64.014 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.123 120.328 120.200 0.009 0.000 2.494 80 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 80 E C 0.762 177.353 176.600 -0.015 0.000 1.074 80 E CA -0.089 56.303 56.400 -0.013 0.000 0.867 80 E CB -0.756 28.919 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.261 124.087 122.820 0.008 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 51.809 52.037 0.013 0.000 0.777 81 A CB 0.372 19.408 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.205 120.657 120.400 0.087 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.669 175.720 176.300 0.148 0.000 1.001 82 D CA -0.068 54.012 54.000 0.132 0.000 0.961 82 D CB 1.635 42.569 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.912 115.539 114.554 0.122 0.000 2.767 83 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 83 T C -0.088 174.683 174.700 0.119 0.000 0.973 83 T CA -0.425 61.754 62.100 0.131 0.000 0.996 83 T CB 1.043 69.971 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.420 123.433 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.319 175.878 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.435 34.308 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.371 122.357 119.914 0.121 0.000 2.481 85 V HA 0.542 4.661 4.120 -0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.080 0.000 1.042 85 V CA -0.426 61.950 62.300 0.127 0.000 0.928 85 V CB 1.563 33.435 31.823 0.081 0.000 0.986 85 V HN 0.555 nan 8.190 nan 0.000 0.462 86 V N 6.783 126.691 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.275 173.737 176.094 -0.135 0.000 1.043 86 V CA -1.734 60.443 62.300 -0.205 0.000 0.888 86 V CB 2.691 34.064 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.581 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 -0.285 62.724 63.100 -0.152 0.000 0.811 87 P CB 1.523 33.139 31.700 -0.141 0.000 1.063 88 S N -0.353 115.321 115.700 -0.043 0.000 2.643 88 S HA 0.391 4.861 4.470 -0.000 0.000 0.266 88 S C -1.487 173.083 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.123 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 1.139 119.730 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.527 175.897 175.510 -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 3.063 124.239 121.300 -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 -0.192 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 0.245 120.057 119.800 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 1.670 57.501 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.166 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.891 118.614 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.412 176.684 176.300 -0.046 0.000 1.092 92 M CA 1.241 56.428 55.300 -0.189 0.000 1.087 92 M CB -0.530 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.335 nan 8.290 nan 0.000 0.509 93 H N -1.359 117.784 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.256 176.511 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.192 56.048 0.090 0.000 1.150 93 H CB 0.468 30.429 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 0.519 175.329 174.900 -0.150 0.000 0.977 94 G CA 0.606 45.662 45.100 -0.075 0.000 0.641 94 G HN 0.471 nan 8.290 nan 0.000 0.533 95 Y N 1.812 122.148 120.300 0.061 0.000 2.207 95 Y HA 0.197 4.746 4.550 -0.000 0.000 0.287 95 Y C 1.721 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.638 59.646 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 -2.429 118.119 120.400 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 -0.769 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 -0.346 122.606 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 97 A C -2.412 175.226 177.584 0.091 0.000 1.115 97 A CA -1.132 51.006 52.037 0.169 0.000 0.812 97 A CB 0.092 19.239 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 63.029 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.237 31.700 -0.582 0.000 0.989 99 I N 2.236 123.034 120.570 0.381 0.000 2.493 99 I HA 0.345 4.515 4.170 -0.000 0.000 0.298 99 I C -0.629 175.709 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.807 39.961 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.326 125.607 120.300 -0.031 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.384 175.363 175.900 -0.254 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.843 38.414 38.460 -1.481 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.965 114.983 114.554 -0.893 0.000 2.930 101 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 101 T C 0.201 174.368 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.334 70.942 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 1.171 176.383 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.416 38.619 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.915 120.472 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.614 176.371 176.094 -0.563 0.000 1.053 103 V CA 0.769 62.640 62.300 -0.715 0.000 1.073 103 V CB -0.093 31.233 31.823 -0.830 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.139 115.434 114.554 -0.432 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.405 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.298 68.435 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.834 125.023 120.300 -0.185 0.000 2.597 105 Y HA 0.113 4.663 4.550 -0.000 0.000 0.336 105 Y C -0.940 174.818 175.900 -0.236 0.000 1.216 105 Y CA -1.830 56.148 58.100 -0.204 0.000 1.463 105 Y CB 0.429 38.765 38.460 -0.207 0.000 1.303 105 Y HN 0.556 nan 8.280 nan 0.000 0.576 106 P HA -0.123 nan 4.420 nan 0.000 0.220 106 P C 0.127 177.232 177.300 -0.326 0.000 1.148 106 P CA 1.404 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 -4.838 115.477 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.585 175.391 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.980 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 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.989 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 4.638 124.555 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.648 176.813 176.094 0.117 0.000 1.083 109 V CA -0.180 62.158 62.300 0.064 0.000 0.993 109 V CB -0.387 31.459 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.623 124.464 118.700 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.993 172.581 175.510 0.108 0.000 1.537 110 N CA -1.243 51.917 53.050 0.183 0.000 0.793 110 N CB 1.478 40.121 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.182 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 -0.715 61.885 63.100 -0.833 0.000 0.768 111 P CB 0.367 31.392 31.700 -1.126 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.680 176.453 177.300 -0.278 0.000 1.737 112 P CA -0.355 62.460 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 -0.328 119.737 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 -0.000 0.000 0.343 113 F C 1.131 177.114 175.800 0.306 0.000 1.104 113 F CA -0.961 57.167 58.000 0.214 0.000 1.161 113 F CB 1.178 40.250 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.700 123.920 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 -0.000 0.000 0.317 114 V C -2.011 174.281 176.094 0.330 0.000 1.070 114 V CA -1.888 60.645 62.300 0.389 0.000 1.008 114 V CB 1.878 34.024 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.806 178.270 177.300 0.274 0.000 1.259 115 P CA -0.049 63.177 63.100 0.209 0.000 0.794 115 P CB 0.912 32.694 31.700 0.136 0.000 0.940 116 T N 0.242 114.920 114.554 0.205 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.414 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 0.254 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 0.496 nan 8.360 nan 0.000 0.399 118 N N 3.354 122.158 118.700 0.174 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.117 39.748 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 0.547 63.512 63.100 -0.225 0.000 0.768 119 P CB 0.156 31.975 31.700 0.197 0.000 0.758 120 T N 2.669 116.876 114.554 -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 1.687 70.303 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.901 109.428 108.800 -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 3.173 122.130 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.489 174.471 174.990 -0.050 0.000 1.217 122 C CA -1.049 57.637 59.018 -0.553 0.000 1.730 122 C CB -1.752 25.042 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.749 122.254 120.300 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 -0.456 57.990 58.100 0.576 0.000 1.152 123 Y CB 1.371 40.142 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.856 119.045 115.700 0.815 0.000 2.541 124 S HA 0.810 5.280 4.470 -0.000 0.000 0.271 124 S C -1.593 173.097 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.482 0.000 0.876 124 S CB 2.204 65.637 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 0.684 5.024 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 -0.369 0.000 0.878 125 L CB 2.244 43.493 42.059 -1.351 0.000 1.333 125 L HN 0.785 nan 8.230 nan 0.000 0.409 126 T N 5.284 119.828 114.554 -0.017 0.000 2.771 126 T HA 0.754 5.104 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 0.559 69.403 68.868 -0.039 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.711 120.581 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 -0.000 0.000 0.313 127 F C -0.985 174.757 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.326 40.243 39.000 -0.137 0.000 1.349 127 F HN 0.264 nan 8.300 nan 0.000 0.464 128 N N 0.146 118.797 118.700 -0.082 0.000 2.443 128 N HA 0.708 5.448 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 -0.592 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.157 40.585 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.358 121.180 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.211 175.764 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.196 62.300 -0.150 0.000 0.873 129 V CB 1.599 33.389 31.823 -0.056 0.000 0.992 129 V HN 0.654 nan 8.190 nan 0.000 0.428 130 D N 2.913 123.098 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.177 177.394 176.300 -0.138 0.000 1.142 130 D CA 0.195 54.021 54.000 -0.289 0.000 0.884 130 D CB 1.537 42.084 40.800 -0.421 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.067 121.231 120.200 -0.061 0.000 2.299 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.645 178.281 176.600 0.061 0.000 0.998 131 E CA 0.812 57.217 56.400 0.008 0.000 0.851 131 E CB -0.195 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.390 116.124 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.539 176.237 174.600 0.164 0.000 1.035 132 S CA 1.052 59.316 58.200 0.106 0.000 1.014 132 S CB -0.867 62.401 63.200 0.113 0.000 0.836 132 S HN 0.522 nan 8.310 nan 0.000 0.466 133 W N 1.471 122.643 121.300 -0.213 0.000 2.402 133 W HA 0.282 4.942 4.660 -0.000 0.000 0.286 133 W C 2.225 178.688 176.519 -0.093 0.000 1.221 133 W CA -0.069 57.020 57.345 -0.428 0.000 1.257 133 W CB -0.854 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 -0.182 4.158 4.340 -0.000 0.000 0.214 134 L C 2.292 179.237 176.870 0.124 0.000 1.120 134 L CA 0.970 55.907 54.840 0.162 0.000 0.799 134 L CB -0.375 41.748 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.329 119.539 119.800 0.113 0.000 1.922 135 Q HA -0.102 4.238 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 1.050 56.905 55.803 0.087 0.000 0.841 135 Q CB -0.006 28.776 28.738 0.073 0.000 0.903 135 Q HN 0.259 nan 8.270 nan 0.000 0.431 136 E N 0.330 120.601 120.200 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 0.007 56.473 56.400 0.110 0.000 0.834 136 E CB 1.038 30.786 29.700 0.080 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.775 109.590 108.800 0.025 0.000 2.698 137 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G C -0.838 173.963 174.900 -0.165 0.000 1.352 137 G CA 0.194 45.192 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.642 118.911 119.800 -0.412 0.000 2.356 138 Q HA 0.652 4.992 4.340 -0.000 0.000 0.270 138 Q C -1.233 174.625 176.000 -0.235 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.913 30.554 28.738 -0.162 0.000 1.303 138 Q HN 0.635 nan 8.270 nan 0.000 0.444 139 T N 4.647 119.212 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.910 173.864 174.700 0.123 0.000 0.992 139 T CA -0.642 61.528 62.100 0.116 0.000 0.957 139 T CB 0.704 69.771 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.364 123.916 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.310 175.033 176.300 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 2.710 123.312 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.994 175.043 176.117 -0.132 0.000 0.995 141 I CA -1.448 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.507 39.430 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.594 126.977 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.291 174.550 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.748 39.674 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.530 124.485 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.281 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.833 39.760 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.393 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 144 D C 0.947 177.104 176.300 -0.240 0.000 0.966 144 D CA 0.903 54.813 54.000 -0.150 0.000 0.864 144 D CB 0.362 41.040 40.800 -0.203 0.000 0.933 144 D HN 0.649 nan 8.370 nan 0.000 0.499 145 G N -0.699 107.884 108.800 -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 -1.579 172.872 174.900 -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 2.457 122.183 119.914 -0.314 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.760 175.385 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.853 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 2.612 121.410 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.663 176.122 175.510 -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 0.600 nan 8.380 nan 0.000 0.484 148 S N 2.429 118.106 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.550 175.216 174.600 0.111 0.000 1.061 148 S CA 0.339 58.568 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 0.744 123.643 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.033 176.708 177.584 0.261 0.000 1.147 149 A CA -0.975 51.133 52.037 0.118 0.000 0.750 149 A CB 1.094 20.184 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.127 118.731 119.950 -0.154 0.000 2.746 150 F HA 0.596 5.122 4.527 -0.000 0.000 0.311 150 F C -1.467 174.372 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.868 39.826 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 -1.403 174.008 175.328 0.138 0.000 1.160 151 H CA -0.683 55.483 56.048 0.197 0.000 1.218 151 H CB 2.352 32.286 29.762 0.286 0.000 1.566 151 H HN 0.832 nan 8.280 nan 0.000 0.522 152 L N 2.098 123.225 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.865 174.677 176.870 -0.546 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 4.184 125.447 121.300 -0.062 0.000 2.936 153 W HA 0.631 5.291 4.660 -0.000 0.000 0.338 153 W C -1.235 175.211 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.104 31.525 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.980 124.348 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.091 175.179 174.990 0.162 0.000 1.166 154 C CA -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.415 27.293 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 0.999 176.564 175.510 0.092 0.000 1.031 155 N CA 2.104 55.195 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 -0.856 119.872 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.067 176.533 176.300 0.500 0.000 1.004 157 R CA -0.880 55.522 56.100 0.503 0.000 0.902 157 R CB 0.671 31.299 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.999 125.451 121.300 0.254 0.000 2.251 158 W HA 0.093 4.753 4.660 -0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.060 57.148 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 4.953 123.817 119.914 -1.750 0.000 2.948 159 V HA 0.578 4.698 4.120 -0.000 0.000 0.234 159 V C 0.940 175.926 176.094 -1.846 0.000 1.205 159 V CA 0.794 62.208 62.300 -1.478 0.000 1.234 159 V CB -0.275 30.824 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.696 105.906 108.800 -1.997 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 -0.656 119.594 120.300 -0.085 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.043 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.258 57.681 58.100 -0.270 0.000 1.038 161 Y CB 2.332 40.728 38.460 -0.108 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.319 111.360 108.800 -1.265 0.000 2.742 162 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.906 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.086 119.515 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.360 174.636 176.000 -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 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.360 120.400 0.057 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.204 176.158 176.300 0.104 0.000 1.129 164 D CA 0.673 54.724 54.000 0.085 0.000 1.005 164 D CB -0.700 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.080 118.856 115.700 0.127 0.000 2.465 165 S HA -0.159 4.311 4.470 -0.000 0.000 0.241 165 S C 1.601 176.324 174.600 0.205 0.000 1.000 165 S CA 0.715 59.018 58.200 0.172 0.000 0.964 165 S CB 0.127 63.417 63.200 0.149 0.000 0.763 165 S HN 0.568 nan 8.310 nan 0.000 0.512 166 R N 0.232 120.822 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.057 176.418 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.028 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.276 122.536 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.439 52.411 54.840 0.016 0.000 0.821 167 L CB 1.960 44.020 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.145 176.143 177.300 -0.021 0.000 1.215 168 P CA -0.222 62.849 63.100 -0.048 0.000 0.780 168 P CB 0.796 32.428 31.700 -0.113 0.000 0.898 169 S N 1.106 116.845 115.700 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 -0.614 57.620 58.200 0.057 0.000 1.034 169 S CB 0.946 64.332 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 -0.294 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.504 174.798 176.600 -0.497 0.000 0.887 170 E CA -0.617 55.657 56.400 -0.210 0.000 0.769 170 E CB 1.689 31.354 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.334 120.302 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 -0.000 0.000 0.311 171 F C -0.184 175.619 175.800 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 2.422 122.957 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.285 54.388 54.000 0.172 0.000 0.870 172 D CB 1.005 41.894 40.800 0.149 0.000 1.076 172 D HN 0.584 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.860 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.191 179.302 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.057 42.118 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 1.869 176.577 174.600 0.181 0.000 1.104 174 S CA 2.055 60.380 58.200 0.208 0.000 1.130 174 S CB -0.280 63.001 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.828 122.100 122.820 0.180 0.000 2.251 175 A HA 0.371 4.691 4.320 -0.000 0.000 0.209 175 A C 0.980 178.423 177.584 -0.235 0.000 1.187 175 A CA 0.234 52.216 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.549 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.962 119.022 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 176 F C 0.286 176.115 175.800 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 0.320 177.234 176.870 0.074 0.000 1.099 177 L CA -0.446 54.486 54.840 0.153 0.000 0.808 177 L CB 0.937 43.106 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.587 122.096 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.527 175.749 176.300 -0.040 0.000 0.993 178 R CA -0.934 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.718 31.993 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.827 123.627 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.774 52.782 52.037 -0.048 0.000 0.785 179 A CB -0.043 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 0.059 174.842 174.900 -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 -0.059 176.345 176.600 -0.327 0.000 1.049 181 E CA -0.047 56.203 56.400 -0.250 0.000 0.876 181 E CB 0.195 29.795 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 0.413 5.153 4.740 -0.000 0.000 0.290 182 N C -0.844 174.346 175.510 -0.533 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.382 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.253 nan 8.380 nan 0.000 0.479 183 R N 1.433 121.814 120.500 -0.197 0.000 2.532 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.297 183 R C -1.332 175.036 176.300 0.114 0.000 0.984 183 R CA -0.516 55.576 56.100 -0.012 0.000 0.884 183 R CB 1.301 31.560 30.300 -0.069 0.000 1.182 183 R HN 0.512 nan 8.270 nan 0.000 0.442 184 L N 2.903 124.251 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 184 L C -0.204 176.757 176.870 0.151 0.000 1.036 184 L CA -0.764 54.200 54.840 0.207 0.000 0.806 184 L CB 1.878 44.078 42.059 0.235 0.000 1.220 184 L HN 0.690 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 0.676 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 51.632 52.037 0.057 0.000 0.751 185 A CB 1.192 19.623 19.000 -0.948 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.317 123.691 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 186 V C 0.120 176.691 176.094 0.794 0.000 1.018 186 V CA -0.320 62.406 62.300 0.710 0.000 0.841 186 V CB 1.250 33.291 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.282 126.362 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.438 175.105 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.238 34.165 32.600 0.545 0.000 1.568 187 M HN 0.469 nan 8.290 nan 0.000 0.445 188 V N 6.723 126.809 119.914 0.288 0.000 2.472 188 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 188 V C -0.182 176.049 176.094 0.229 0.000 1.037 188 V CA -0.769 61.695 62.300 0.272 0.000 0.908 188 V CB 1.628 33.616 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.807 124.119 121.223 0.149 0.000 2.362 189 L HA 0.672 5.012 4.340 -0.000 0.000 0.271 189 L C 1.050 177.880 176.870 -0.068 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.775 43.745 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.555 121.911 120.500 -0.240 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 -0.663 0.000 1.140 190 R CA 1.770 57.426 56.100 -0.739 0.000 0.920 190 R CB 0.012 29.536 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.362 121.721 121.300 0.098 0.000 2.375 191 W HA 0.298 4.958 4.660 -0.000 0.000 0.336 191 W C 0.141 176.779 176.519 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 0.140 nan 8.180 nan 0.000 0.599 192 S N -1.175 114.819 115.700 0.490 0.000 2.636 192 S HA 0.160 4.630 4.470 -0.000 0.000 0.268 192 S C 0.017 174.878 174.600 0.435 0.000 1.159 192 S CA -0.489 58.006 58.200 0.492 0.000 0.815 192 S CB 1.130 64.579 63.200 0.416 0.000 1.130 192 S HN 0.632 nan 8.310 nan 0.000 0.471 193 D N 0.801 121.453 120.400 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 1.306 55.582 54.000 0.460 0.000 0.842 193 D CB -0.837 40.117 40.800 0.258 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.198 109.208 108.800 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 1.741 176.817 174.900 0.294 0.000 1.125 194 G CA 1.050 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 0.038 115.908 115.700 0.282 0.000 2.383 195 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 195 S C 1.969 176.682 174.600 0.188 0.000 1.030 195 S CA 1.131 59.467 58.200 0.227 0.000 1.002 195 S CB -0.485 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 -0.010 4.540 4.550 -0.000 0.000 0.289 196 Y C 1.610 177.604 175.900 0.155 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.093 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 0.312 0.000 2.700 197 L HA 0.124 4.464 4.340 -0.000 0.000 0.234 197 L C -0.070 176.937 176.870 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 -0.405 119.949 120.200 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 0.510 30.336 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.292 121.771 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -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 40.629 40.800 -0.444 0.000 0.975 199 D HN 0.077 nan 8.370 nan 0.000 0.490 200 Q N 0.562 120.442 119.800 0.133 0.000 2.349 200 Q HA 0.058 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 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.522 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.432 120.108 119.600 0.127 0.000 3.008 202 M HA 0.460 4.940 4.480 -0.000 0.000 0.271 202 M C -1.277 175.113 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.060 33.630 32.600 -0.049 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.991 123.361 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 -0.000 0.000 0.326 203 W C 0.126 176.653 176.519 0.014 0.000 1.319 203 W CA -0.210 57.194 57.345 0.099 0.000 1.213 203 W CB 0.531 29.992 29.460 0.001 0.000 1.171 203 W HN 0.274 nan 8.180 nan 0.000 0.557 204 R N 4.971 125.652 120.500 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 0.056 0.000 1.043 204 R CA -0.184 56.019 56.100 0.172 0.000 0.883 204 R CB 0.247 30.694 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.796 119.600 -0.120 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.245 175.750 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.187 34.587 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.304 113.970 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.514 174.600 -0.736 0.000 1.131 206 S CA -0.306 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.506 64.039 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.101 108.679 108.800 -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 -1.559 173.304 174.900 -0.062 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.201 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 1.001 176.988 176.117 -0.217 0.000 1.107 208 I CA -0.310 60.741 61.300 -0.416 0.000 1.219 208 I CB -0.057 37.486 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.718 123.526 119.950 -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 0.075 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.720 120.809 120.500 -0.684 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.064 31.050 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.994 120.400 -0.124 0.000 2.515 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 211 D C -0.373 175.877 176.300 -0.083 0.000 1.181 211 D CA 0.536 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 0.778 120.661 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.240 175.814 176.094 -0.067 0.000 1.042 212 V CA -0.587 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.772 33.615 31.823 0.034 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.418 120.030 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.232 173.326 174.600 -0.070 0.000 1.168 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.960 65.143 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.321 122.565 121.223 0.034 0.000 2.386 214 L HA 0.681 5.021 4.340 -0.000 0.000 0.271 214 L C -1.637 175.342 176.870 0.181 0.000 0.993 214 L CA -0.798 54.122 54.840 0.134 0.000 0.819 214 L CB 1.832 44.057 42.059 0.278 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.471 123.757 121.223 0.105 0.000 2.381 215 L HA 0.478 4.818 4.340 -0.000 0.000 0.274 215 L C -0.958 175.811 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.006 0.000 0.824 215 L CB 1.591 43.650 42.059 0.001 0.000 1.263 215 L HN 0.453 nan 8.230 nan 0.000 0.410 216 H N 4.177 122.923 119.070 -0.540 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.926 175.328 -0.480 0.000 1.040 216 H CA -0.127 55.429 56.048 -0.819 0.000 1.231 216 H CB 0.783 29.473 29.762 -1.787 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.599 125.504 120.400 -0.824 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.517 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.498 56.287 -0.574 0.000 0.806 217 K CB 1.836 34.106 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 0.337 177.500 177.300 -0.229 0.000 1.223 218 P CA -0.031 62.910 63.100 -0.264 0.000 0.785 218 P CB 0.442 32.040 31.700 -0.171 0.000 0.923 219 T N -1.993 112.462 114.554 -0.164 0.000 2.821 219 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.312 63.333 62.100 -0.132 0.000 1.139 219 T CB -0.838 67.979 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.312 117.786 114.554 -0.134 0.000 2.801 220 T HA 0.480 4.830 4.350 -0.000 0.000 0.306 220 T C -0.345 174.255 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.205 62.100 -0.153 0.000 0.948 220 T CB 0.852 69.634 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.589 122.275 119.800 -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 1.332 29.911 28.738 -0.265 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.748 123.173 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.985 176.902 176.117 -0.334 0.000 1.104 222 I CA 0.165 61.334 61.300 -0.219 0.000 1.387 222 I CB 0.967 38.810 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.139 118.755 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.232 174.938 174.600 0.177 0.000 1.011 223 S CA -0.097 58.054 58.200 -0.082 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.602 119.952 120.400 0.256 0.000 2.766 224 D HA 0.434 5.073 4.640 -0.000 0.000 0.244 224 D C -1.704 174.788 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.991 41.921 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 -1.517 174.227 175.800 -0.094 0.000 1.118 225 F CA -0.801 57.099 58.000 -0.168 0.000 0.959 225 F CB 1.417 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 0.904 119.975 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.373 173.938 175.328 -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 1.064 121.020 119.914 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 61.664 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.986 nan 8.190 nan 0.000 0.433 228 A N 2.128 124.905 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.056 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.552 52.037 -0.089 0.000 0.688 228 A CB 2.055 21.026 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.364 174.148 174.700 -0.313 0.000 0.999 229 T CA -0.706 61.227 62.100 -0.278 0.000 0.983 229 T CB 1.589 70.254 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.384 121.583 120.500 -0.501 0.000 2.750 230 R HA 0.735 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 1.527 31.722 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.567 120.516 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.516 176.206 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.853 39.740 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.187 118.891 118.700 0.007 0.000 2.463 232 N HA 0.065 4.805 4.740 -0.000 0.000 0.270 232 N C 0.406 175.779 175.510 -0.227 0.000 1.205 232 N CA -0.161 52.842 53.050 -0.078 0.000 0.974 232 N CB 0.635 39.099 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.595 119.705 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.373 176.535 176.300 -0.230 0.000 0.998 233 D CA 1.693 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 0.256 176.675 176.300 0.198 0.000 1.154 234 D CA -0.818 53.204 54.000 0.036 0.000 0.832 234 D CB -1.044 39.806 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.462 120.467 119.950 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 0.720 58.792 58.000 0.120 0.000 1.221 235 F CB -2.472 36.502 39.000 -0.043 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.350 115.458 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 236 S C 0.646 175.300 174.600 0.090 0.000 0.985 236 S CA 0.063 58.337 58.200 0.123 0.000 0.914 236 S CB 0.386 63.632 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.457 121.019 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.225 175.097 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.256 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 -1.057 176.434 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.207 0.000 0.775 238 A CB 2.156 21.012 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.327 121.121 119.914 -0.200 0.000 2.482 239 V HA 0.374 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 0.606 4.946 4.340 -0.000 0.000 0.286 240 L C -0.027 176.806 176.870 -0.061 0.000 1.061 240 L CA 0.239 55.048 54.840 -0.052 0.000 0.807 240 L CB 1.038 43.092 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.842 124.999 120.200 -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 4.281 127.092 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.890 176.686 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.371 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 2.211 122.401 120.200 -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 0.382 nan 8.360 nan 0.000 0.408 244 V N 3.979 123.828 119.914 -0.108 0.000 2.604 244 V HA 0.356 4.476 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 1.695 33.459 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.171 124.012 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.256 176.000 0.143 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 -1.313 174.895 176.300 -0.153 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.093 0.000 0.891 246 M CB 2.115 34.483 32.600 -0.387 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.511 120.709 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.558 175.444 174.990 -0.174 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.934 28.604 27.740 -0.117 0.000 2.173 247 C HN 1.305 nan 8.230 nan 0.000 0.485 248 G N 3.173 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.081 4.041 3.960 -0.000 0.000 0.246 248 G HA3 0.081 4.041 3.960 -0.000 0.000 0.246 248 G C -1.210 173.601 174.900 -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 0.442 120.555 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.337 176.823 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.920 56.400 -0.131 0.000 0.824 249 E CB 0.605 30.255 29.700 -0.084 0.000 1.076 249 E HN 0.523 nan 8.360 nan 0.000 0.395 250 L N 5.309 126.418 121.223 -0.190 0.000 2.410 250 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 250 L C -0.005 176.747 176.870 -0.198 0.000 1.144 250 L CA 0.114 54.811 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.148 42.059 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.576 122.901 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.069 176.039 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.293 0.000 0.898 251 R CB 1.665 31.606 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.385 121.731 120.400 -0.090 0.000 2.384 252 D HA -0.158 4.482 4.640 -0.000 0.000 0.222 252 D C 0.862 177.180 176.300 0.031 0.000 0.976 252 D CA 1.167 55.164 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 0.857 176.753 175.900 -0.006 0.000 1.177 253 Y CA -0.947 57.155 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.187 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.929 123.942 121.223 -0.350 0.000 2.397 254 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 254 L C 0.189 176.995 176.870 -0.106 0.000 1.148 254 L CA -0.192 54.507 54.840 -0.235 0.000 0.825 254 L CB 0.628 42.546 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.034 122.378 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 -0.000 0.000 0.270 255 R C -1.504 174.489 176.300 -0.511 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.371 32.390 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.660 120.374 119.914 -0.335 0.000 2.760 256 V HA 0.518 4.638 4.120 -0.000 0.000 0.309 256 V C -0.613 175.472 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.409 34.039 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.437 118.052 114.554 0.102 0.000 2.881 257 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 257 T C -0.851 173.860 174.700 0.019 0.000 1.000 257 T CA -0.491 61.662 62.100 0.089 0.000 0.978 257 T CB 1.863 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.299 123.208 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.336 175.750 176.094 -0.013 0.000 1.034 258 V CA -0.838 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.810 33.612 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.200 120.915 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.070 173.533 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.321 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 2.225 123.339 121.223 -0.182 0.000 2.322 260 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 260 L C -1.808 174.938 176.870 -0.206 0.000 1.014 260 L CA -0.440 54.376 54.840 -0.040 0.000 0.815 260 L CB 0.733 42.783 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.087 124.486 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 -0.000 0.000 0.337 261 W C -0.553 176.098 176.519 0.220 0.000 1.077 261 W CA -0.586 56.851 57.345 0.153 0.000 1.226 261 W CB 1.572 31.074 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.425 122.466 119.800 0.402 0.000 2.721 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 262 Q C 0.733 176.817 176.000 0.139 0.000 1.070 262 Q CA 0.639 56.533 55.803 0.152 0.000 0.910 262 Q CB 0.318 29.108 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.330 111.205 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.779 175.753 174.900 0.124 0.000 1.186 263 G CA 0.404 45.548 45.100 0.074 0.000 0.965 263 G HN 0.518 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.650 120.200 0.123 0.000 2.230 264 E HA 0.194 4.544 4.350 -0.000 0.000 0.192 264 E C 1.504 178.311 176.600 0.345 0.000 0.987 264 E CA 1.031 57.520 56.400 0.149 0.000 0.841 264 E CB -0.306 29.444 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.249 115.989 114.554 0.310 0.000 2.856 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 265 T C 0.043 174.861 174.700 0.196 0.000 0.980 265 T CA -0.366 61.887 62.100 0.256 0.000 1.091 265 T CB 1.450 70.384 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 -0.261 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.448 176.178 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.758 55.803 -0.991 0.000 0.934 266 Q CB 0.923 28.686 28.738 -1.626 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.850 121.559 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.507 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.813 63.022 62.300 -0.152 0.000 1.088 267 V CB -0.194 31.627 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.115 121.558 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 268 A C -0.809 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.004 51.921 52.037 -0.187 0.000 0.693 268 A CB 1.664 20.592 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.956 114.654 115.700 -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 1.989 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.162 109.929 108.800 -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 -1.517 173.366 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.666 nan 8.290 nan 0.000 0.531 271 T N -0.135 114.406 114.554 -0.021 0.000 2.893 271 T HA 0.904 5.254 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 1.839 70.739 68.868 0.052 0.000 1.043 271 T HN 1.766 nan 8.240 nan 0.000 0.461 272 A N 3.143 125.920 122.820 -0.072 0.000 2.566 272 A HA 0.904 5.224 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 1.113 20.043 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 -0.113 0.000 1.293 273 P CA -0.489 62.562 63.100 -0.080 0.000 0.897 273 P CB 0.513 32.208 31.700 -0.009 0.000 1.166 274 F N 0.609 120.509 119.950 -0.083 0.000 2.535 274 F HA 0.428 4.955 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 1.810 59.773 58.000 -0.062 0.000 1.330 274 F CB -0.267 38.690 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.833 109.751 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.781 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 0.656 109.512 108.800 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 0.074 175.006 174.900 0.054 0.000 1.310 276 G CA -0.332 44.816 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 -0.314 176.305 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.814 30.526 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.611 122.189 120.570 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 0.683 61.984 61.300 0.001 0.000 1.430 278 I CB 0.190 38.187 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.892 121.460 120.570 -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 -0.002 0.000 1.282 279 I CA 0.172 61.480 61.300 0.014 0.000 1.276 279 I CB 0.357 38.390 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.372 120.014 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.372 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.460 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.341 41.128 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 1.132 57.519 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 0.956 177.214 176.300 -0.069 0.000 0.920 282 R CA 0.727 56.793 56.100 -0.056 0.000 1.046 282 R CB 0.762 31.023 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.376 108.381 108.800 -0.070 0.000 2.301 283 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.194 283 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.194 283 G C -0.394 174.448 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.829 106.907 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 284 G C -1.610 173.154 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.734 nan 8.290 nan 0.000 0.575 285 Y N 0.836 121.150 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.368 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.024 58.145 58.100 0.035 0.000 1.180 285 Y CB 1.856 40.343 38.460 0.044 0.000 1.138 285 Y HN 0.534 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.324 179.006 177.584 0.162 0.000 1.169 286 A CA 1.468 53.572 52.037 0.111 0.000 0.638 286 A CB -0.241 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 -0.598 119.903 120.400 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 0.359 0.000 1.170 287 D CA -0.073 53.990 54.000 0.105 0.000 0.827 287 D CB -0.085 40.717 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.995 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 -0.000 0.000 0.268 288 R C -1.595 174.763 176.300 0.097 0.000 1.027 288 R CA -1.181 55.089 56.100 0.283 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 0.119 119.957 119.914 -0.126 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.678 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.516 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.917 121.397 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.056 173.594 174.700 -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 0.384 177.222 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.302 43.316 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.732 123.202 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 292 R C -1.482 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.474 56.100 -0.048 0.000 0.867 292 R CB 1.358 31.631 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.763 123.958 121.223 -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 -0.915 53.896 54.840 -0.049 0.000 0.810 293 L CB 1.426 43.457 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.019 120.684 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 -0.000 0.000 0.291 294 N C -0.985 174.475 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.675 53.050 -0.066 0.000 0.951 294 N CB 2.896 41.348 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.863 121.712 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.149 175.864 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.353 62.300 -0.159 0.000 0.863 295 V CB 2.153 33.791 31.823 -0.309 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.619 123.762 120.200 -0.095 0.000 2.301 296 E HA 0.293 4.642 4.350 -0.000 0.000 0.275 296 E C -0.018 176.552 176.600 -0.050 0.000 1.030 296 E CA -0.353 56.013 56.400 -0.056 0.000 0.852 296 E CB 0.725 30.405 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 -2.353 173.150 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.451 53.050 0.009 0.000 0.759 297 N CB -1.404 37.092 38.487 0.016 0.000 0.906 297 N HN 0.330 nan 8.380 nan 0.000 0.541 298 P HA 0.104 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.415 177.300 0.008 0.000 1.223 298 P CA 0.228 63.209 63.100 -0.199 0.000 0.785 298 P CB 0.707 32.048 31.700 -0.598 0.000 0.923 299 K N 1.395 121.888 120.400 0.154 0.000 2.234 299 K HA 0.368 4.688 4.320 -0.000 0.000 0.277 299 K C -0.156 176.603 176.600 0.264 0.000 1.038 299 K CA -0.313 56.078 56.287 0.173 0.000 0.888 299 K CB 0.193 32.768 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.713 124.011 121.223 0.126 0.000 2.395 300 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 300 L C -0.068 176.879 176.870 0.127 0.000 1.133 300 L CA -0.727 54.193 54.840 0.133 0.000 0.812 300 L CB 0.500 42.476 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.094 124.421 121.300 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 0.628 nan 8.180 nan 0.000 0.579 302 S N 2.882 117.884 115.700 -1.163 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 -0.943 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 0.801 123.056 122.820 -0.942 0.000 2.019 303 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 303 A C 1.776 179.032 177.584 -0.547 0.000 1.164 303 A CA 1.685 53.151 52.037 -0.951 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 -0.867 119.146 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.825 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 0.912 121.274 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -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 -0.496 176.776 177.300 -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 -0.174 0.000 1.973 307 N N 1.576 120.265 118.700 -0.018 0.000 2.447 307 N HA 0.105 4.845 4.740 -0.000 0.000 0.263 307 N C 0.103 175.815 175.510 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 2.193 123.527 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.846 176.084 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.215 43.391 42.059 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.157 120.270 120.300 0.213 0.000 2.605 309 Y HA 0.579 5.129 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.644 175.900 0.175 0.000 1.036 309 Y CA -0.799 57.434 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 1.135 121.867 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.535 174.955 176.300 0.316 0.000 0.961 310 R CA -0.679 55.581 56.100 0.266 0.000 0.881 310 R CB 1.207 31.584 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.539 126.487 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.200 176.456 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.602 20.695 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 4.636 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 1.442 33.290 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.808 124.646 119.914 -0.128 0.000 2.313 313 V HA 0.433 4.553 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 -1.067 175.636 176.600 0.172 0.000 0.889 314 E CA -1.056 55.392 56.400 0.079 0.000 0.756 314 E CB 2.712 32.467 29.700 0.091 0.000 1.131 314 E HN 0.406 nan 8.360 nan 0.000 0.411 315 L N 5.447 126.736 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.695 176.242 176.870 0.112 0.000 1.046 315 L CA 0.057 54.931 54.840 0.056 0.000 0.816 315 L CB -0.232 41.832 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.168 120.255 119.070 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 -2.854 111.828 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 317 T C 1.465 176.335 174.700 0.284 0.000 0.982 317 T CA -0.171 62.061 62.100 0.221 0.000 0.989 317 T CB 1.385 70.444 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.036 123.997 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.856 179.539 177.584 0.166 0.000 1.176 318 A CA 2.093 54.245 52.037 0.191 0.000 0.631 318 A CB -1.425 17.671 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.456 118.029 120.400 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 1.487 55.539 54.000 0.088 0.000 0.847 319 D CB -0.260 40.572 40.800 0.055 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.479 107.401 108.800 0.132 0.000 2.227 320 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.168 320 G HA3 -0.184 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 1.916 116.539 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.033 174.700 0.144 0.000 0.956 321 T CA 0.008 62.169 62.100 0.102 0.000 1.123 321 T CB 1.566 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 4.979 126.262 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.584 177.512 176.870 0.097 0.000 1.106 322 L CA 0.130 55.041 54.840 0.118 0.000 0.824 322 L CB 0.325 42.423 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.121 123.749 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.624 176.753 176.117 0.021 0.000 1.112 323 I CA 0.930 62.256 61.300 0.044 0.000 1.438 323 I CB -0.300 37.708 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.731 119.487 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 -0.000 0.000 0.279 324 E C -1.622 175.004 176.600 0.043 0.000 1.132 324 E CA -1.038 55.377 56.400 0.024 0.000 0.876 324 E CB 0.949 30.624 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.917 123.791 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.271 176.440 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 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 -0.624 175.992 176.600 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 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.175 123.125 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.159 176.605 177.584 0.299 0.000 1.136 327 A CA -0.323 51.777 52.037 0.105 0.000 0.681 327 A CB 1.110 20.040 19.000 -0.116 0.000 1.282 327 A HN 0.949 nan 8.150 nan 0.000 0.421 328 C N -0.786 118.648 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 4.460 -0.000 0.000 0.340 328 C C -1.629 173.442 174.990 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 0.969 121.426 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.474 175.859 176.300 0.057 0.000 1.094 329 D CA 0.138 54.196 54.000 0.096 0.000 0.897 329 D CB 2.112 42.969 40.800 0.095 0.000 1.200 329 D HN 0.522 nan 8.370 nan 0.000 0.429 330 V N 0.751 120.728 119.914 0.105 0.000 2.656 330 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 330 V C 0.380 176.521 176.094 0.078 0.000 1.051 330 V CA -0.698 61.611 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 2.765 111.500 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 -0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 -0.000 0.000 0.308 331 G C -1.258 173.632 174.900 -0.017 0.000 1.369 331 G CA -0.407 44.705 45.100 0.019 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.275 122.408 119.950 0.305 0.000 2.413 332 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 332 F C 0.940 176.965 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.097 40.347 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.235 122.023 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 333 R C -1.722 174.719 176.300 0.236 0.000 1.046 333 R CA -1.113 55.120 56.100 0.221 0.000 0.885 333 R CB 1.535 31.986 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.019 122.262 120.200 0.071 0.000 2.199 334 E HA 0.462 4.812 4.350 -0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.986 55.517 56.400 0.172 0.000 0.759 334 E CB 2.118 31.970 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.528 125.501 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.212 175.919 176.094 0.060 0.000 1.020 335 V CA -0.530 61.802 62.300 0.054 0.000 0.850 335 V CB 1.123 32.958 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.422 124.953 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.006 174.316 176.300 0.038 0.000 1.026 336 R CA -0.869 55.263 56.100 0.053 0.000 0.889 336 R CB 1.716 32.060 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.968 122.560 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.512 175.624 176.117 0.031 0.000 1.008 337 I CA -0.279 61.038 61.300 0.028 0.000 1.226 337 I CB 1.616 39.634 38.000 0.030 0.000 1.371 337 I HN 0.703 nan 8.210 nan 0.000 0.468 338 E N 6.436 126.651 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.246 176.365 176.600 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 0.007 0.000 1.048 339 N CA 2.091 55.148 53.050 0.013 0.000 0.714 339 N CB -1.227 37.267 38.487 0.011 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.208 106.596 108.800 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 -0.073 174.822 174.900 -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 -0.051 176.810 176.870 -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 43.951 42.059 -0.019 0.000 1.298 341 L HN 0.089 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 0.478 42.503 42.059 -0.056 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.942 127.158 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.808 176.067 176.870 0.009 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.990 44.072 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.315 124.552 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 344 L C -0.418 176.494 176.870 0.069 0.000 0.988 344 L CA -0.259 54.608 54.840 0.045 0.000 0.833 344 L CB 0.975 43.051 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.111 122.759 118.700 -0.087 0.000 2.716 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 345 N C 0.817 176.125 175.510 -0.337 0.000 1.033 345 N CA 1.404 54.167 53.050 -0.477 0.000 0.727 345 N CB -1.071 37.013 38.487 -0.673 0.000 0.950 345 N HN 1.154 nan 8.380 nan 0.000 0.541 346 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 0.020 174.971 174.900 0.084 0.000 1.021 346 G CA 0.673 45.860 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.230 121.669 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.009 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.208 34.626 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 -0.239 177.003 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.685 32.347 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 -0.616 54.149 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 54.494 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 4.319 124.769 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.313 61.499 61.300 -0.190 0.000 1.387 351 I CB 0.287 38.049 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.789 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.537 176.914 176.300 0.129 0.000 1.334 352 R CA -0.265 55.882 56.100 0.078 0.000 1.516 352 R CB 0.814 31.029 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.017 108.842 108.800 0.041 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 -0.241 120.009 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.315 174.938 176.094 0.265 0.000 1.214 354 V CA -1.193 61.319 62.300 0.352 0.000 0.984 354 V CB 2.291 34.072 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.874 122.635 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.832 174.490 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.801 40.222 38.487 -0.109 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.590 121.863 120.500 -0.377 0.000 2.522 356 R HA 0.247 4.587 4.340 -0.000 0.000 0.283 356 R C -1.196 174.867 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.334 0.000 0.925 356 R CB 1.020 31.130 30.300 -0.317 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.002 120.944 119.070 -0.214 0.000 2.495 357 H HA 0.186 4.742 4.556 -0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.216 55.788 56.048 -0.074 0.000 1.322 357 H CB 1.644 31.414 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.633 122.028 120.200 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 -0.034 56.468 56.400 0.171 0.000 0.847 358 E CB 0.225 30.024 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 -1.661 173.703 175.328 0.060 0.000 1.085 359 H CA -0.693 55.397 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 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.502 125.199 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.223 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.289 56.048 -0.511 0.000 1.257 360 H CB 2.493 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 1.208 178.379 177.300 -0.215 0.000 1.146 361 P CA 1.011 63.892 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.124 119.109 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.463 179.272 176.870 -0.103 0.000 1.064 362 L CA 0.616 55.417 54.840 -0.065 0.000 0.821 362 L CB -0.758 41.156 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.310 118.729 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.461 176.670 175.328 -0.197 0.000 0.977 363 H CA 0.132 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.305 29.799 29.762 -0.448 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.435 110.155 108.800 -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 0.117 119.843 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.298 176.333 176.000 0.057 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 1.827 121.778 119.914 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 -0.202 62.155 62.300 0.096 0.000 0.925 366 V CB 1.033 32.868 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.414 124.045 119.600 0.052 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.562 175.681 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.743 55.300 -0.019 0.000 1.000 367 M CB 1.652 34.208 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.125 118.232 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.248 176.540 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.421 42.219 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.316 120.517 120.200 0.001 0.000 2.082 369 E HA -0.432 3.918 4.350 -0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.175 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 2.703 58.563 55.803 0.095 0.000 0.866 370 Q CB -0.434 28.361 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.186 115.811 114.554 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 1.775 63.955 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 0.653 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.924 176.300 0.215 0.000 1.072 372 M CA 1.717 57.172 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 -0.096 119.891 119.914 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 2.036 64.342 62.300 0.010 0.000 1.051 373 V CB -0.966 30.881 31.823 0.041 0.000 0.658 373 V HN 0.546 nan 8.190 nan 0.000 0.455 374 Q N -0.271 119.573 119.800 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 0.244 120.747 120.400 0.172 0.000 2.106 375 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 375 D C 1.902 178.183 176.300 -0.031 0.000 0.997 375 D CA 1.281 55.391 54.000 0.183 0.000 0.834 375 D CB -0.375 40.516 40.800 0.151 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.605 121.135 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.528 178.524 176.117 -0.202 0.000 1.070 376 I CA 0.875 62.035 61.300 -0.234 0.000 1.327 376 I CB -0.363 37.393 38.000 -0.408 0.000 1.034 376 I HN 0.024 nan 8.210 nan 0.000 0.405 377 L N 0.211 121.346 121.223 -0.147 0.000 2.042 377 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 377 L C 2.624 179.558 176.870 0.107 0.000 1.076 377 L CA 1.370 56.206 54.840 -0.008 0.000 0.749 377 L CB -0.601 41.474 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.928 120.383 121.223 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 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.559 119.057 119.600 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 1.882 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.557 31.779 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.240 120.612 120.400 -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 1.653 57.808 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 0.171 120.115 119.800 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 0.734 56.799 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 0.849 119.798 118.700 0.415 0.000 2.320 382 N HA 0.052 4.792 4.740 -0.000 0.000 0.237 382 N C -0.685 174.973 175.510 0.246 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 0.192 119.022 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 383 N C -0.881 174.542 175.510 -0.144 0.000 1.111 383 N CA 0.841 53.929 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 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.987 120.952 119.950 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 -0.884 174.694 175.510 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 -0.436 122.513 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 -0.000 0.000 0.293 386 A C -1.707 176.102 177.584 0.375 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.728 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 0.689 120.859 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.932 175.269 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.337 0.000 0.974 387 V CB 1.993 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 4.487 124.937 120.500 -0.083 0.000 2.387 388 R HA 0.511 4.851 4.340 -0.000 0.000 0.314 388 R C -0.832 175.317 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.222 31.057 30.300 -0.776 0.000 1.147 388 R HN 0.858 nan 8.270 nan 0.000 0.447 389 C N 4.279 123.461 119.300 -0.197 0.000 3.183 389 C HA 0.106 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 -0.467 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 1.494 116.774 115.700 -0.700 0.000 2.465 390 S HA 0.186 4.656 4.470 -0.000 0.000 0.280 390 S C -0.114 173.558 174.600 -1.547 0.000 1.232 390 S CA 0.110 57.593 58.200 -1.195 0.000 1.066 390 S CB 0.097 62.530 63.200 -1.278 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.430 121.851 119.070 -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 -0.360 55.446 56.048 -0.404 0.000 1.335 391 H CB -0.099 29.636 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.697 117.703 120.300 0.167 0.000 2.774 392 Y HA 0.438 4.988 4.550 -0.000 0.000 0.346 392 Y C -3.304 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.042 55.163 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.576 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.220 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.488 0.000 1.218 393 P CA 0.055 63.414 63.100 0.431 0.000 0.780 393 P CB 0.678 32.568 31.700 0.316 0.000 0.901 394 N N 0.153 119.153 118.700 0.500 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.387 38.815 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.209 121.389 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.717 173.815 175.328 0.340 0.000 1.002 395 H CA -1.120 55.046 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 1.020 64.338 63.100 0.363 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.179 120.421 121.223 0.629 0.000 2.081 397 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 397 L C 2.413 179.532 176.870 0.415 0.000 1.080 397 L CA 1.666 56.817 54.840 0.518 0.000 0.754 397 L CB -1.429 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 2.270 59.569 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 0.284 nan 8.180 nan 0.000 0.473 399 Y N 0.710 120.988 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 -0.000 0.000 0.285 399 Y C 2.834 178.513 175.900 -0.368 0.000 1.166 399 Y CA 2.254 60.087 58.100 -0.444 0.000 1.181 399 Y CB -1.468 36.431 38.460 -0.935 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.570 115.163 114.554 0.064 0.000 2.708 400 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 400 T C 2.040 176.776 174.700 0.059 0.000 1.037 400 T CA 1.381 63.571 62.100 0.150 0.000 1.146 400 T CB -0.572 68.433 68.868 0.229 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.697 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 401 L C 2.908 179.778 176.870 0.000 0.000 1.076 401 L CA 1.069 55.946 54.840 0.060 0.000 0.749 401 L CB -0.776 41.299 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.345 118.784 119.300 -0.284 0.000 2.425 402 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.388 59.252 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.631 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.422 120.836 120.400 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 1.313 55.391 54.000 0.129 0.000 0.833 403 D CB -0.322 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.850 119.706 120.500 0.094 0.000 2.075 404 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 404 R C 2.320 178.532 176.300 -0.147 0.000 1.114 404 R CA 0.754 56.833 56.100 -0.036 0.000 0.972 404 R CB -0.334 29.855 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.781 119.527 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.955 176.781 175.900 -0.123 0.000 1.123 405 Y CA 0.933 59.010 58.100 -0.039 0.000 1.201 405 Y CB 0.567 38.972 38.460 -0.092 0.000 1.011 405 Y HN 0.260 nan 8.280 nan 0.000 0.545 406 G N 1.044 109.863 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.161 173.567 174.900 -0.286 0.000 0.996 406 G CA -0.631 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 -0.057 176.757 176.870 -0.094 0.000 0.968 407 L CA -1.221 53.476 54.840 -0.238 0.000 0.827 407 L CB 2.044 43.988 42.059 -0.192 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 2.062 122.460 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.567 57.656 58.100 0.206 0.000 1.318 408 Y CB 1.269 39.843 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.723 123.804 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.738 175.422 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 33.989 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.593 122.551 119.914 0.073 0.000 2.328 410 V HA 0.352 4.471 4.120 -0.000 0.000 0.278 410 V C -0.398 175.726 176.094 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 0.094 54.244 54.000 0.251 0.000 0.870 411 D CB 1.209 42.199 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.825 122.169 120.200 0.239 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.118 175.617 176.600 0.225 0.000 0.877 412 E CA -1.074 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.732 126.681 122.820 0.214 0.000 2.445 413 A HA 0.072 4.392 4.320 -0.000 0.000 0.242 413 A C 0.352 178.057 177.584 0.203 0.000 1.075 413 A CA -0.271 51.874 52.037 0.181 0.000 0.777 413 A CB 0.179 19.254 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.456 120.284 118.700 0.213 0.000 2.971 414 N HA 0.202 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 0.747 121.430 120.570 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 -0.660 60.732 61.300 0.153 0.000 1.062 415 I CB 1.874 39.939 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.218 124.500 120.200 0.137 0.000 2.278 416 E HA 0.398 4.748 4.350 -0.000 0.000 0.272 416 E C -0.448 176.211 176.600 0.099 0.000 0.890 416 E CA -0.443 56.011 56.400 0.088 0.000 0.770 416 E CB 1.869 31.600 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.631 115.231 114.554 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 -0.312 68.606 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.281 120.268 119.070 -0.138 0.000 2.330 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.290 418 H C 2.320 177.513 175.328 -0.224 0.000 1.111 418 H CA 1.616 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 0.580 nan 8.280 nan 0.000 0.485 419 G N 0.247 108.899 108.800 -0.247 0.000 2.679 419 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 419 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 419 G C 0.622 175.613 174.900 0.151 0.000 1.137 419 G CA -0.019 44.966 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.038 119.693 119.600 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 0.094 55.482 55.300 0.146 0.000 1.148 420 M CB 1.024 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 1.925 121.849 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.202 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.007 62.300 -0.004 0.000 0.905 421 V CB 1.978 33.796 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.266 nan 4.420 nan 0.000 0.274 422 P C 1.137 178.432 177.300 -0.009 0.000 1.246 422 P CA -0.523 62.568 63.100 -0.014 0.000 0.795 422 P CB 0.820 32.514 31.700 -0.011 0.000 1.006 423 M N 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.118 177.425 176.300 0.012 0.000 1.076 423 M CA 2.246 57.552 55.300 0.010 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 -0.224 118.483 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.154 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.185 53.239 53.050 0.006 0.000 0.838 424 N CB -0.660 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.640 121.091 120.500 -0.080 0.000 2.134 425 R HA -0.086 4.254 4.340 -0.000 0.000 0.248 425 R C 1.583 177.757 176.300 -0.210 0.000 1.143 425 R CA 1.717 57.744 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.085 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.804 120.227 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.557 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.390 55.896 54.840 -0.556 0.000 0.761 426 L CB -0.758 40.720 42.059 -0.968 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.697 110.709 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.229 175.806 174.700 -0.206 0.000 1.084 427 T CA 1.486 63.427 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 1.407 121.726 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.547 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.061 40.696 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.613 119.770 120.400 -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 43.068 40.800 0.117 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.263 64.373 63.100 0.016 0.000 0.872 430 P CB 0.316 32.014 31.700 -0.002 0.000 0.790 431 R N -1.823 118.692 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.917 178.080 176.300 -0.228 0.000 1.145 431 R CA 1.666 57.706 56.100 -0.101 0.000 0.976 431 R CB -0.861 29.362 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.578 120.660 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.387 177.842 176.519 -0.107 0.000 1.288 432 W CA -0.545 56.739 57.345 -0.103 0.000 1.725 432 W CB -0.155 29.239 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.914 124.181 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 433 L C -0.500 176.342 176.870 -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 -0.240 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.855 177.300 -0.085 0.000 1.158 434 P CA 2.610 65.652 63.100 -0.097 0.000 0.887 434 P CB -0.401 31.233 31.700 -0.109 0.000 0.792 435 A N -0.514 122.269 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.567 54.599 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.468 19.000 0.076 0.000 0.826 435 A HN 0.097 nan 8.150 nan 0.000 0.444 436 M N 0.365 119.981 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.972 57.262 55.300 -0.018 0.000 1.107 436 M CB -0.801 31.768 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.456 116.076 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.399 59.457 58.200 -0.237 0.000 1.042 437 S CB -0.721 62.324 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.275 121.368 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.348 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.019 57.325 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 0.139 120.587 120.500 -0.087 0.000 2.120 439 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 439 R C 2.389 178.648 176.300 -0.068 0.000 1.123 439 R CA 0.998 57.074 56.100 -0.040 0.000 0.975 439 R CB -0.037 30.273 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.038 119.867 119.914 -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 2.032 64.234 62.300 -0.163 0.000 1.037 440 V CB -0.398 31.320 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.167 114.114 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.016 4.350 -0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.895 63.657 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.869 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.005 4.335 4.340 -0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.813 57.838 56.100 -0.125 0.000 0.959 442 R CB -0.579 29.656 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 1.952 178.197 176.300 -0.092 0.000 1.068 443 M CA 1.751 57.027 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 1.554 121.325 119.914 -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 0.016 119.753 119.800 -0.105 0.000 2.170 445 Q HA -0.249 4.091 4.340 -0.000 0.000 0.203 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.976 445 Q CA 1.632 57.386 55.803 -0.081 0.000 0.858 445 Q CB -0.353 28.365 28.738 -0.033 0.000 0.907 445 Q HN 0.597 nan 8.270 nan 0.000 0.433 446 R N 0.778 121.203 120.500 -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 1.429 57.427 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.515 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.015 120.370 120.400 -0.024 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 54.265 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 0.793 121.409 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 -0.000 0.000 0.225 448 R C 0.904 177.200 176.300 -0.007 0.000 1.114 448 R CA 1.065 57.294 56.100 0.214 0.000 1.007 448 R CB -0.413 29.979 30.300 0.153 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.214 118.823 118.700 -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 -0.238 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 1.570 120.552 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 450 H C -1.200 173.963 175.328 -0.275 0.000 1.079 450 H CA -1.329 54.615 56.048 -0.173 0.000 1.411 450 H CB 1.631 31.325 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.177 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.699 0.000 1.148 451 P CA 1.325 64.078 63.100 -0.579 0.000 0.828 451 P CB 0.204 31.298 31.700 -1.011 0.000 0.783 452 S N -1.311 114.052 115.700 -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 0.308 58.349 58.200 -0.264 0.000 0.965 452 S CB -1.406 61.756 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 0.264 4.384 4.120 -0.000 0.000 0.276 453 V C 1.021 176.971 176.094 -0.240 0.000 1.040 453 V CA -0.078 62.117 62.300 -0.175 0.000 1.008 453 V CB 0.623 32.241 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 0.201 176.196 176.117 -0.204 0.000 1.348 454 I CA 0.340 61.551 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 0.491 120.906 120.570 -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 2.045 40.041 38.000 -0.006 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.863 125.208 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 -0.000 0.000 0.331 456 W C 0.442 177.022 176.519 0.102 0.000 1.119 456 W CA -0.628 56.767 57.345 0.083 0.000 1.240 456 W CB 1.653 31.155 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.794 118.724 115.700 0.383 0.000 2.538 457 S HA 0.398 4.868 4.470 -0.000 0.000 0.288 457 S C -0.092 174.673 174.600 0.276 0.000 1.108 457 S CA -0.756 57.617 58.200 0.288 0.000 0.971 457 S CB 0.790 64.114 63.200 0.207 0.000 1.041 457 S HN 0.568 nan 8.310 nan 0.000 0.483 458 L N 4.184 125.567 121.223 0.266 0.000 2.645 458 L HA 0.388 4.727 4.340 -0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.157 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.449 40.616 42.059 0.009 0.000 1.077 458 L HN 1.040 nan 8.230 nan 0.000 0.438 459 G N 0.132 109.086 108.800 0.256 0.000 2.297 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G C -1.483 173.585 174.900 0.280 0.000 1.267 459 G CA -0.550 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.333 119.146 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.461 175.004 175.510 -0.076 0.000 1.254 460 N CA 0.143 53.165 53.050 -0.047 0.000 0.863 460 N CB 1.389 39.571 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.274 120.323 120.200 -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 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.446 27.731 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.163 115.912 115.700 0.082 0.000 2.941 462 S HA 0.399 4.868 4.470 -0.000 0.000 0.251 462 S C 0.725 175.482 174.600 0.261 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.716 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G C -0.516 174.599 174.900 0.357 0.000 1.264 463 G CA -0.006 45.198 45.100 0.173 0.000 0.935 463 G HN 0.624 nan 8.290 nan 0.000 0.568 464 H N 0.435 119.630 119.070 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 0.061 56.260 56.048 0.252 0.000 1.288 464 H CB 1.022 30.859 29.762 0.126 0.000 1.607 464 H HN 1.264 nan 8.280 nan 0.000 0.522 465 G N 1.382 110.187 108.800 0.008 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 0.602 123.300 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.187 179.726 177.584 -0.075 0.000 1.171 466 A CA 2.207 54.179 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.270 118.700 -0.141 0.000 2.137 467 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 467 N C 1.417 176.851 175.510 -0.126 0.000 1.017 467 N CA 1.886 54.843 53.050 -0.155 0.000 0.859 467 N CB -0.724 37.635 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 0.516 121.050 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 469 D C 2.314 178.755 176.300 0.235 0.000 0.998 469 D CA 1.345 55.476 54.000 0.220 0.000 0.836 469 D CB -0.564 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 0.215 nan 8.150 nan 0.000 0.445 471 L N -2.168 119.142 121.223 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 0.145 0.000 0.749 471 L CB -0.808 41.273 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.949 121.328 120.300 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 -0.233 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.009 120.640 120.500 0.219 0.000 2.083 473 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.015 58.164 56.100 0.082 0.000 0.951 473 R CB -1.697 28.725 30.300 0.203 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.311 122.568 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 474 W C 1.943 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.952 59.239 57.345 -0.095 0.000 1.266 474 W CB -0.421 28.986 29.460 -0.087 0.000 1.150 474 W HN 0.023 nan 8.180 nan 0.000 0.496 475 I N 0.612 121.173 120.570 -0.015 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.468 178.353 176.117 -0.387 0.000 1.078 475 I CA 1.432 62.554 61.300 -0.297 0.000 1.343 475 I CB -1.016 36.877 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.219 178.668 176.600 -0.252 0.000 1.048 476 K CA 1.890 58.003 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 0.314 115.828 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.434 4.470 -0.000 0.000 0.225 477 S C 2.227 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.811 58.833 58.200 -0.297 0.000 0.965 477 S CB -0.132 62.904 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.382 120.926 119.914 -0.617 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.406 0.000 1.045 478 V CA 1.237 63.155 62.300 -0.637 0.000 1.058 478 V CB -0.236 30.890 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.713 119.488 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.271 174.005 176.300 -0.040 0.000 1.288 479 D CA -1.768 52.154 54.000 -0.130 0.000 0.950 479 D CB 1.978 42.785 40.800 0.012 0.000 1.197 479 D HN 0.078 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 -0.506 115.222 115.700 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 -0.041 58.191 58.200 0.054 0.000 0.934 481 S CB -0.399 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 0.953 121.501 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.221 173.142 176.300 0.106 0.000 0.977 482 R CA -2.408 53.711 56.100 0.032 0.000 0.906 482 R CB 1.064 31.266 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.633 63.100 0.106 0.000 0.802 483 P CB 0.783 32.530 31.700 0.078 0.000 1.035 484 V N 1.855 121.892 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 484 V C 0.138 176.410 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.335 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 3.675 123.631 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.952 55.803 0.208 0.000 0.815 485 Q CB 2.979 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.187 120.505 120.300 0.030 0.000 2.376 486 Y HA 0.155 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.371 175.478 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.097 40.539 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.598 123.338 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.875 176.600 -0.766 0.000 0.986 487 E CA 0.768 56.803 56.400 -0.608 0.000 0.849 487 E CB 0.175 29.636 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.063 107.964 108.800 -1.498 0.000 2.464 488 G HA2 0.157 4.117 3.960 -0.000 0.000 0.231 488 G HA3 0.157 4.117 3.960 -0.000 0.000 0.231 488 G C 0.808 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.399 45.026 45.100 -0.788 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.247 108.495 108.800 -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 1.291 176.175 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.103 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.715 107.066 108.800 -0.031 0.000 2.229 490 G HA2 0.420 4.380 3.960 -0.000 0.000 0.189 490 G HA3 0.420 4.380 3.960 -0.000 0.000 0.189 490 G C 1.089 176.080 174.900 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 -0.154 122.651 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.093 178.624 177.584 -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 -1.096 119.319 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.019 0.000 1.455 492 D CA 0.841 54.863 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 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.449 112.029 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 493 T C 1.614 176.183 174.700 -0.219 0.000 1.007 493 T CA 0.581 62.534 62.100 -0.245 0.000 0.980 493 T CB 1.031 69.540 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.143 112.270 114.554 -0.236 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 -0.412 0.000 1.143 494 T CA 0.599 62.574 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 0.141 122.751 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.980 178.382 177.584 -0.304 0.000 1.259 495 A CA -0.025 51.761 52.037 -0.419 0.000 0.870 495 A CB -0.111 18.899 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.533 112.882 114.554 -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 1.320 70.191 68.868 0.005 0.000 1.070 496 T HN 0.076 nan 8.240 nan 0.000 0.465 497 D N 2.617 123.124 120.400 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 0.474 121.060 120.570 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 -0.954 60.327 61.300 -0.032 0.000 1.031 498 I CB 2.997 40.985 38.000 -0.020 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.906 125.373 120.570 -0.171 0.000 2.363 499 I HA 0.125 4.294 4.170 -0.000 0.000 0.292 499 I C -0.057 175.868 176.117 -0.320 0.000 1.075 499 I CA -0.165 60.947 61.300 -0.313 0.000 1.333 499 I CB 0.050 37.769 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.419 124.550 119.300 -0.281 0.000 3.273 500 C HA 0.504 4.963 4.460 -0.000 0.000 0.227 500 C C -2.192 172.665 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.626 59.018 -0.208 0.000 1.516 500 C CB -0.889 26.785 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 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 -0.032 62.957 63.100 -0.186 0.000 0.793 501 P CB 0.694 32.282 31.700 -0.186 0.000 1.074 502 M N -0.883 118.679 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.962 4.480 -0.000 0.000 0.293 502 M C -1.083 175.202 176.300 -0.026 0.000 0.994 502 M CA -0.632 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.649 34.084 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.323 120.126 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 -0.000 0.000 0.239 503 Y C 0.490 176.543 175.900 0.256 0.000 1.043 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.045 503 Y CB -2.165 36.412 38.460 0.195 0.000 1.599 503 Y HN 1.006 nan 8.280 nan 0.000 0.655 504 A N 1.093 124.121 122.820 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 0.411 19.637 19.000 0.376 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.131 121.760 120.500 0.216 0.000 2.543 505 R HA 0.358 4.698 4.340 -0.000 0.000 0.268 505 R C 1.096 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.684 55.477 56.100 0.102 0.000 1.142 505 R CB 0.760 31.097 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.671 120.407 119.914 -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 1.898 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 -1.424 118.896 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 507 D C 0.747 177.028 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.948 41.708 40.800 -0.068 0.000 1.019 507 D HN 0.552 nan 8.370 nan 0.000 0.507 508 E N 1.604 121.792 120.200 -0.019 0.000 2.179 508 E HA 0.197 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 3.235 123.636 120.400 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 53.965 54.000 -0.012 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 1.553 121.144 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 -0.000 0.000 0.250 510 Q C -2.343 173.003 176.000 -1.090 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.689 0.000 0.707 510 Q CB 2.456 30.806 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.067 nan 4.420 nan 0.000 0.220 511 P C -0.853 176.092 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.540 63.100 -0.709 0.000 0.976 511 P CB -0.530 30.956 31.700 -0.357 0.000 1.952 512 F N 2.438 122.235 119.950 -0.254 0.000 2.459 512 F HA 0.262 4.789 4.527 -0.000 0.000 0.346 512 F C -1.216 174.477 175.800 -0.177 0.000 1.128 512 F CA -2.628 55.269 58.000 -0.171 0.000 1.268 512 F CB -0.451 38.465 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.702 177.300 0.025 0.000 1.195 513 P CA 0.969 64.085 63.100 0.026 0.000 0.768 513 P CB 1.013 32.729 31.700 0.028 0.000 0.838 514 A N 2.840 125.660 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.715 178.293 177.584 -0.009 0.000 0.569 514 A CA 2.175 54.214 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 -3.559 116.353 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 -0.000 0.000 0.260 515 V C -2.666 173.431 176.094 0.004 0.000 0.933 515 V CA -1.250 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.898 32.723 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.743 0.000 1.231 516 P CA 0.052 62.797 63.100 -0.592 0.000 0.790 516 P CB 0.966 31.918 31.700 -1.248 0.000 0.951 517 K N 2.132 122.148 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.482 175.839 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.636 33.224 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.559 122.586 121.300 -0.456 0.000 2.126 518 W HA 0.047 4.707 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 56.515 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 3.196 119.060 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.132 175.876 174.600 0.239 0.000 1.318 519 S CA -0.228 58.072 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 1.421 122.090 120.570 0.164 0.000 2.361 520 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 520 I C 1.866 178.005 176.117 0.036 0.000 1.133 520 I CA 1.225 62.621 61.300 0.160 0.000 1.413 520 I CB -0.571 37.462 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.944 122.274 120.400 -0.118 0.000 2.148 521 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 521 K C 2.153 178.737 176.600 -0.027 0.000 1.050 521 K CA 1.531 57.680 56.287 -0.231 0.000 0.942 521 K CB -0.282 31.986 32.500 -0.386 0.000 0.724 521 K HN 0.436 nan 8.250 nan 0.000 0.446 522 K N 0.679 121.088 120.400 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 0.644 56.920 56.287 -0.018 0.000 0.941 522 K CB -0.091 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.082 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.559 178.043 176.519 -0.060 0.000 1.217 523 W CA 1.338 58.658 57.345 -0.042 0.000 1.257 523 W CB -0.661 28.877 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.794 122.163 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.539 179.465 176.870 0.093 0.000 1.080 524 L CA 2.087 57.006 54.840 0.131 0.000 0.754 524 L CB -1.011 41.106 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.038 114.696 115.700 0.056 0.000 2.593 525 S HA 0.132 4.602 4.470 -0.000 0.000 0.217 525 S C 0.744 175.320 174.600 -0.041 0.000 0.966 525 S CA -0.462 57.743 58.200 0.008 0.000 0.914 525 S CB -0.478 62.721 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 -2.212 174.625 176.870 -0.055 0.000 1.228 526 L CA -1.721 53.046 54.840 -0.122 0.000 0.850 526 L CB -0.436 41.516 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 0.834 178.125 177.300 -0.015 0.000 1.185 527 P CA 0.990 64.066 63.100 -0.040 0.000 0.763 527 P CB 0.693 32.365 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 3.690 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G C 0.313 175.227 174.900 0.023 0.000 0.998 528 G CA 0.135 45.241 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 0.544 4.894 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 0.990 57.422 56.400 0.053 0.000 0.903 529 E CB 0.784 30.544 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.526 115.098 114.554 0.030 0.000 3.131 530 T HA 0.302 4.652 4.350 -0.000 0.000 0.283 530 T C 0.579 175.285 174.700 0.011 0.000 0.906 530 T CA -0.453 61.659 62.100 0.020 0.000 0.882 530 T CB 0.043 68.922 68.868 0.019 0.000 1.208 530 T HN 0.276 nan 8.240 nan 0.000 0.561 531 R N 2.166 122.668 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.573 54.518 56.100 -0.014 0.000 1.182 531 R CB 0.040 30.326 30.300 -0.025 0.000 1.084 531 R HN 0.244 nan 8.270 nan 0.000 0.528 532 P HA 0.133 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.890 177.300 -0.115 0.000 1.252 532 P CA -0.412 62.646 63.100 -0.071 0.000 0.811 532 P CB 0.653 32.313 31.700 -0.068 0.000 1.035 533 L N 1.930 123.065 121.223 -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 -0.292 54.424 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 5.458 125.895 120.570 -0.223 0.000 2.512 534 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 534 I C -0.969 175.049 176.117 -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 0.121 4.461 4.340 -0.000 0.000 0.276 535 L C 1.423 178.356 176.870 0.105 0.000 1.121 535 L CA -0.262 54.514 54.840 -0.106 0.000 0.845 535 L CB 0.859 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 0.345 119.693 119.300 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 -0.091 59.021 59.018 0.156 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 -0.782 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.141 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.918 31.474 29.700 -0.240 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.821 119.444 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 538 Y C -0.805 175.262 175.900 0.279 0.000 1.196 538 Y CA -0.756 57.345 58.100 0.001 0.000 1.059 538 Y CB 0.994 39.362 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.146 125.033 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.289 539 A C -0.326 177.390 177.584 0.219 0.000 1.437 539 A CA 1.000 53.080 52.037 0.071 0.000 0.734 539 A CB -2.531 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.136 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 0.335 30.174 29.762 0.128 0.000 1.523 540 H HN 0.860 nan 8.280 nan 0.000 0.528 541 A N 6.450 129.191 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 -0.000 0.000 0.258 541 A C 0.966 178.400 177.584 -0.251 0.000 1.391 541 A CA -0.344 51.578 52.037 -0.192 0.000 1.066 541 A CB -0.574 18.300 19.000 -0.211 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 -0.288 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 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.525 31.955 32.600 -0.200 0.000 1.657 542 M HN 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.309 112.936 108.800 -0.288 0.000 2.527 543 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.268 543 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.268 543 G C -0.149 174.282 174.900 -0.782 0.000 1.175 543 G CA 0.020 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 1.524 119.581 118.700 -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 0.278 38.335 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.590 117.122 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.019 174.504 174.600 -0.129 0.000 1.141 545 S CA -0.384 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.287 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.104 121.280 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.280 4.340 -0.000 0.000 0.404 546 L C 0.488 177.380 176.870 0.038 0.000 1.022 546 L CA 0.956 55.767 54.840 -0.048 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.182 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.876 107.922 108.800 -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 1.246 176.192 174.900 0.076 0.000 1.288 547 G CA 0.218 45.302 45.100 -0.026 0.000 0.887 547 G HN 1.394 nan 8.290 nan 0.000 0.524 548 G N 1.812 110.667 108.800 0.093 0.000 2.213 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G C 1.131 176.246 174.900 0.359 0.000 0.991 548 G CA 0.750 45.966 45.100 0.193 0.000 0.629 548 G HN 0.788 nan 8.290 nan 0.000 0.517 549 F N 2.196 122.282 119.950 0.227 0.000 2.085 549 F HA -0.037 4.490 4.527 -0.000 0.000 0.299 549 F C 2.777 178.807 175.800 0.383 0.000 1.096 549 F CA 2.948 61.147 58.000 0.332 0.000 1.227 549 F CB -0.584 38.536 39.000 0.201 0.000 0.983 549 F HN 0.419 nan 8.300 nan 0.000 0.482 550 A N -0.437 122.550 122.820 0.279 0.000 1.978 550 A HA -0.235 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 1.748 53.871 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 0.438 nan 8.150 nan 0.000 0.448 551 K N -1.548 118.867 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.809 178.200 176.600 -0.349 0.000 1.048 551 K CA 2.048 58.262 56.287 -0.122 0.000 0.926 551 K CB -0.347 32.073 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.958 119.072 120.300 -0.451 0.000 2.163 552 Y HA -0.239 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.131 177.080 175.900 -1.584 0.000 1.136 552 Y CA 1.345 58.820 58.100 -1.041 0.000 1.147 552 Y CB -0.423 37.394 38.460 -1.072 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.619 121.492 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.996 176.519 -0.314 0.000 1.215 553 W CA 1.936 58.975 57.345 -0.510 0.000 1.236 553 W CB -0.559 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 -0.113 0.000 0.966 554 Q CA 1.816 57.568 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 0.751 123.410 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.935 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.162 53.081 52.037 -0.195 0.000 0.623 555 A CB -1.112 17.647 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.288 119.496 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.273 4.527 -0.000 0.000 0.299 556 F C 2.755 178.465 175.800 -0.151 0.000 1.103 556 F CA 1.294 59.101 58.000 -0.322 0.000 1.228 556 F CB -0.228 38.382 39.000 -0.650 0.000 0.984 556 F HN 0.152 nan 8.300 nan 0.000 0.477 557 R N 0.081 120.648 120.500 0.113 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.071 0.000 1.103 557 R CA 1.291 57.439 56.100 0.081 0.000 0.983 557 R CB -0.397 29.944 30.300 0.068 0.000 0.874 557 R HN 0.444 nan 8.270 nan 0.000 0.451 558 Q N -0.450 119.423 119.800 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 29.376 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.497 120.781 120.300 -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 -2.910 55.172 58.100 -0.030 0.000 1.204 559 Y CB 1.549 39.995 38.460 -0.025 0.000 1.135 559 Y HN 0.070 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.855 64.962 63.100 0.010 0.000 0.887 560 P CB 0.352 32.042 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 561 R C 0.572 176.850 176.300 -0.036 0.000 0.988 561 R CA 0.147 56.247 56.100 0.000 0.000 1.041 561 R CB -0.481 29.828 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.950 123.165 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 -0.000 0.000 0.287 562 L C 0.672 177.398 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.810 54.840 -0.098 0.000 0.839 562 L CB 1.270 43.337 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.901 122.497 119.800 -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 0.100 55.660 55.803 -0.404 0.000 0.965 563 Q CB 0.904 29.493 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.327 107.715 108.800 -1.263 0.000 2.378 564 G HA2 0.154 4.114 3.960 -0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 -0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.263 0.000 1.223 564 G CA -0.744 43.316 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.212 106.084 108.800 -0.839 0.000 2.349 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.294 565 G C -1.853 172.939 174.900 -0.180 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.495 120.680 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.716 176.823 175.800 0.512 0.000 1.127 566 F CA -0.802 57.462 58.000 0.441 0.000 0.975 566 F CB 2.155 41.314 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.880 123.109 119.914 0.525 0.000 2.963 567 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 567 V C -0.372 175.889 176.094 0.278 0.000 1.077 567 V CA -0.445 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 5.995 127.361 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.055 175.489 176.519 0.042 0.000 1.016 568 W CA -0.656 56.794 57.345 0.176 0.000 1.318 568 W CB 1.420 31.127 29.460 0.412 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.603 122.647 120.400 -0.592 0.000 2.812 569 D HA 0.114 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 -0.551 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.646 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.560 121.554 121.300 -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 1.483 58.583 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 0.297 4.417 4.120 -0.000 0.000 0.316 571 V C -0.447 175.453 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.349 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 1.576 121.805 120.400 -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 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.994 120.584 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 -0.000 0.000 0.335 573 Q C -0.348 175.602 176.000 -0.083 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.246 28.650 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.022 115.802 115.700 0.133 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 57.569 58.200 0.305 0.000 1.059 574 S CB 1.561 64.906 63.200 0.243 0.000 1.046 574 S HN 0.318 nan 8.310 nan 0.000 0.506 575 L N 1.771 123.086 121.223 0.153 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.431 176.337 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.664 54.840 -0.067 0.000 0.815 575 L CB 1.429 43.332 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.338 121.750 120.570 -0.264 0.000 2.440 576 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 576 I C -0.016 175.708 176.117 -0.654 0.000 0.995 576 I CA 0.008 61.022 61.300 -0.477 0.000 1.306 576 I CB 1.077 38.821 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.233 123.939 120.400 -1.156 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 0.472 120.620 120.300 -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 -1.090 57.045 58.100 0.059 0.000 1.044 578 Y CB 1.375 39.844 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.106 120.799 120.400 0.490 0.000 2.388 579 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 579 D C 0.967 177.390 176.300 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 0.870 121.140 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.215 176.853 176.600 0.063 0.000 0.998 580 E CA 1.091 57.533 56.400 0.070 0.000 0.818 580 E CB -0.799 28.923 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.122 119.868 118.700 0.077 0.000 2.421 581 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 581 N C 0.846 176.409 175.510 0.089 0.000 1.198 581 N CA 0.837 53.927 53.050 0.066 0.000 0.838 581 N CB 0.253 38.774 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.681 109.551 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.439 174.640 174.900 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 1.113 120.011 118.700 0.331 0.000 2.438 583 N HA 0.500 5.239 4.740 -0.000 0.000 0.282 583 N C -2.472 173.233 175.510 0.325 0.000 1.037 583 N CA -1.489 51.746 53.050 0.309 0.000 0.942 583 N CB 2.058 40.666 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 -0.366 62.474 63.100 -0.433 0.000 0.800 584 P CB 0.674 32.161 31.700 -0.355 0.000 0.961 585 W N -0.210 120.831 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 -0.000 0.000 0.314 585 W C -1.475 174.848 176.519 -0.327 0.000 1.238 585 W CA -0.996 56.122 57.345 -0.379 0.000 1.193 585 W CB 0.195 29.291 29.460 -0.607 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.935 117.637 115.700 0.002 0.000 2.488 586 S HA 0.538 5.008 4.470 -0.000 0.000 0.278 586 S C 0.264 174.967 174.600 0.172 0.000 1.259 586 S CA -0.160 58.052 58.200 0.021 0.000 1.061 586 S CB 0.888 64.164 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.820 125.620 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.620 177.223 177.584 0.431 0.000 1.139 587 A CA -0.789 51.298 52.037 0.083 0.000 0.830 587 A CB 0.716 19.542 19.000 -0.289 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.104 119.523 120.300 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 -1.325 57.078 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.542 38.460 0.194 0.000 1.404 588 Y HN 0.999 nan 8.280 nan 0.000 0.491 589 G N 0.083 109.264 108.800 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 1.027 176.262 174.900 0.559 0.000 1.200 589 G CA 0.572 45.991 45.100 0.531 0.000 0.888 589 G HN 2.040 nan 8.290 nan 0.000 0.482 590 G N 2.306 111.400 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.917 176.033 174.900 0.361 0.000 0.987 590 G CA 0.764 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 -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.263 177.458 176.300 -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 -1.042 119.030 119.950 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 -0.358 57.727 58.000 0.141 0.000 1.280 592 F CB 0.517 39.593 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.600 109.563 108.800 0.272 0.000 2.175 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G C -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.323 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 0.532 121.131 120.400 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 0.655 54.838 54.000 0.304 0.000 0.879 594 D CB 1.130 42.172 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.388 117.041 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.358 172.383 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.001 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.098 176.192 177.300 -0.016 0.000 1.276 596 P CA -0.665 62.437 63.100 0.002 0.000 0.801 596 P CB 0.750 32.423 31.700 -0.043 0.000 1.127 597 N N -1.282 117.409 118.700 -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 1.318 39.879 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.211 120.553 120.400 -0.097 0.000 2.772 598 D HA 0.149 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 0.847 41.491 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.295 120.997 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.945 177.241 176.300 -0.007 0.000 0.241 599 R CA 1.456 57.727 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 0.104 4.444 4.340 -0.000 0.000 0.210 600 Q C 1.810 177.526 176.000 -0.474 0.000 0.972 600 Q CA 1.533 56.863 55.803 -0.788 0.000 0.903 600 Q CB -0.223 27.921 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.681 120.528 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 -0.000 0.000 0.302 601 F C 1.876 177.624 175.800 -0.086 0.000 1.063 601 F CA 1.043 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 -1.378 117.668 119.300 -0.424 0.000 2.539 602 C HA 0.180 4.640 4.460 -0.000 0.000 0.271 602 C C 1.003 175.796 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.135 59.018 -0.663 0.000 1.729 602 C CB -1.893 24.945 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.159 122.606 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.432 175.754 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.415 55.300 -0.197 0.000 0.981 603 M CB 0.390 32.897 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.554 120.140 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.178 175.483 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.772 53.050 -0.252 0.000 0.861 604 N CB 1.297 39.691 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.036 108.597 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.881 175.316 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.558 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.416 120.349 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 606 L C 0.692 176.919 176.870 -1.071 0.000 1.116 606 L CA 0.239 54.629 54.840 -0.749 0.000 0.844 606 L CB -0.146 41.641 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.229 113.947 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.428 175.194 176.094 -0.786 0.000 1.115 607 V CA -1.241 60.470 62.300 -0.981 0.000 0.998 607 V CB 1.709 33.011 31.823 -0.868 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.252 121.064 119.950 -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 0.372 58.344 58.000 -0.046 0.000 1.262 608 F CB 1.406 40.413 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.214 124.113 122.820 0.132 0.000 1.997 609 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 609 A C 1.611 179.158 177.584 -0.062 0.000 1.172 609 A CA 2.181 54.232 52.037 0.022 0.000 0.645 609 A CB -1.148 17.895 19.000 0.072 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.895 117.489 120.400 -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 0.360 54.321 54.000 -0.065 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 -1.029 119.449 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.782 175.505 176.300 -0.022 0.000 1.148 611 R CA 1.040 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.108 27.180 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.141 112.460 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.471 172.372 174.700 0.238 0.000 0.987 612 T CA -2.422 59.772 62.100 0.156 0.000 0.966 612 T CB 2.434 71.389 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.009 63.076 63.100 -0.026 0.000 0.772 613 P CB 0.249 31.948 31.700 -0.002 0.000 0.855 614 H N 2.935 121.803 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.190 174.030 175.328 -0.180 0.000 1.192 614 H CA -2.121 53.713 56.048 -0.355 0.000 1.290 614 H CB 0.860 30.378 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.249 178.545 177.300 -0.006 0.000 1.149 615 P CA 1.276 64.362 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.189 123.007 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.687 177.584 -0.085 0.000 1.178 616 A CA 1.686 53.687 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 0.015 121.202 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.493 179.397 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.009 41.044 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.334 113.259 114.554 0.065 0.000 2.737 618 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 618 T C 1.713 176.514 174.700 0.168 0.000 1.038 618 T CA 1.357 63.546 62.100 0.149 0.000 1.144 618 T CB -0.237 68.703 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.546 121.795 120.200 0.081 0.000 2.085 619 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 619 E C 2.235 178.862 176.600 0.046 0.000 0.994 619 E CA 1.407 57.864 56.400 0.096 0.000 0.801 619 E CB -0.567 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 2.215 54.155 52.037 -0.161 0.000 0.623 620 A CB -0.774 18.115 19.000 -0.184 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 2.162 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 0.431 119.347 119.070 -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 1.990 57.690 56.048 -0.580 0.000 1.308 622 H CB -0.109 29.348 29.762 -0.508 0.000 1.375 622 H HN 0.248 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 1.722 177.168 176.000 -0.923 0.000 0.976 623 Q CA 1.352 56.773 55.803 -0.636 0.000 0.875 623 Q CB -0.041 28.437 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.831 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.066 175.511 176.000 -0.924 0.000 0.896 624 Q CA -0.266 54.884 55.803 -1.090 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 -0.417 118.980 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.241 175.344 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.916 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 -0.150 119.545 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.130 175.107 175.800 -0.939 0.000 1.130 626 F CA 0.014 57.520 58.000 -0.824 0.000 1.387 626 F CB 0.429 38.582 39.000 -1.412 0.000 1.107 626 F HN 0.345 nan 8.300 nan 0.000 0.577 627 F N 0.072 119.913 119.950 -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 -0.559 0.000 1.089 627 F CA -1.076 56.731 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.199 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.085 122.613 119.800 -0.454 0.000 2.353 628 Q HA 0.514 4.854 4.340 -0.000 0.000 0.268 628 Q C -1.457 174.199 176.000 -0.573 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.055 31.685 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.463 120.538 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.548 176.584 175.800 0.392 0.000 1.077 629 F CA -0.844 57.355 58.000 0.331 0.000 0.944 629 F CB 1.907 41.225 39.000 0.530 0.000 1.175 629 F HN 0.113 nan 8.300 nan 0.000 0.468 630 R N 1.758 122.569 120.500 0.517 0.000 2.628 630 R HA 0.623 4.963 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 55.127 56.100 0.334 0.000 0.891 630 R CB 2.667 33.071 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.375 122.548 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.009 175.711 176.870 -0.251 0.000 1.004 631 L CA 0.087 54.653 54.840 -0.457 0.000 0.820 631 L CB 1.948 43.286 42.059 -1.201 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.785 119.359 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 632 S C 0.447 174.961 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.255 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 4.318 113.031 108.800 -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 0.437 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.716 45.737 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.345 121.054 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.013 175.898 176.000 -0.192 0.000 0.848 634 Q CA 0.668 56.363 55.803 -0.181 0.000 0.974 634 Q CB 0.843 29.491 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.812 115.264 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.083 174.686 174.700 -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 0.053 0.000 0.991 636 I CA -0.662 60.599 61.300 -0.063 0.000 1.227 636 I CB 1.425 39.419 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.507 126.764 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.545 175.161 176.600 0.177 0.000 0.965 637 E CA -0.588 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 3.639 123.632 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.158 175.955 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.072 0.000 0.887 638 V CB 1.912 33.809 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 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.298 174.396 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 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 0.681 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 0.642 175.133 174.600 -0.181 0.000 1.163 640 S CA -0.586 57.559 58.200 -0.092 0.000 1.078 640 S CB 0.491 63.710 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.429 123.422 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.860 175.592 176.600 -0.246 0.000 1.027 641 E CA -0.068 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.286 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.330 120.521 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -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 0.061 4.401 4.340 -0.000 0.000 0.215 643 L C 0.667 177.078 176.870 -0.765 0.000 1.081 643 L CA 0.746 55.173 54.840 -0.689 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.557 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.036 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 -1.118 175.184 176.300 0.002 0.000 1.051 645 R CA -0.665 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.660 30.833 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 -0.310 175.038 175.328 0.033 0.000 1.155 646 H CA -0.476 55.583 56.048 0.019 0.000 1.237 646 H CB 1.542 31.322 29.762 0.031 0.000 1.534 646 H HN 0.745 nan 8.280 nan 0.000 0.523 647 S N 2.301 117.810 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.175 174.859 174.600 0.139 0.000 1.242 647 S CA 0.013 58.227 58.200 0.022 0.000 0.947 647 S CB -0.984 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 0.304 120.807 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.422 176.783 176.300 0.101 0.000 1.094 648 D CA -0.200 53.900 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 0.465 nan 8.370 nan 0.000 0.517 649 N N 0.014 118.772 118.700 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 38.821 38.487 0.059 0.000 1.388 649 N HN -0.053 nan 8.380 nan 0.000 0.496 650 E N 0.109 120.357 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.522 175.096 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.921 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 3.537 124.770 121.223 0.017 0.000 2.341 651 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 651 L C -1.470 175.426 176.870 0.042 0.000 1.005 651 L CA -0.925 53.943 54.840 0.046 0.000 0.818 651 L CB 1.522 43.609 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.070 126.378 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.704 176.374 176.870 0.345 0.000 1.024 652 L CA 0.039 54.994 54.840 0.191 0.000 0.826 652 L CB 0.445 42.623 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.805 124.923 119.070 0.080 0.000 2.467 653 H HA 0.384 4.940 4.556 -0.000 0.000 0.326 653 H C -1.120 174.268 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 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 0.704 nan 8.280 nan 0.000 0.479 654 W N 3.605 124.977 121.300 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 1.622 31.128 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.198 121.169 119.600 0.618 0.000 2.569 655 M HA 0.539 5.019 4.480 -0.000 0.000 0.287 655 M C -2.643 173.911 176.300 0.425 0.000 1.130 655 M CA -0.562 54.976 55.300 0.397 0.000 0.885 655 M CB 1.737 34.341 32.600 0.006 0.000 1.759 655 M HN 0.127 nan 8.290 nan 0.000 0.515 656 V N 2.348 122.492 119.914 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 0.048 62.520 62.300 0.287 0.000 0.889 656 V CB 1.296 33.283 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.102 127.043 122.820 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 1.452 122.765 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.392 176.578 176.870 0.166 0.000 1.023 658 L CA 0.246 55.189 54.840 0.171 0.000 0.819 658 L CB 0.334 42.458 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 1.588 55.732 54.000 0.240 0.000 0.653 659 D CB -1.007 39.904 40.800 0.185 0.000 1.052 659 D HN 1.171 nan 8.370 nan 0.000 0.424 660 G N -1.286 107.508 108.800 -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 0.280 45.271 45.100 -0.181 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.205 122.585 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 661 K C -2.565 174.035 176.600 0.001 0.000 1.053 661 K CA -2.051 54.220 56.287 -0.027 0.000 0.892 661 K CB 1.822 34.318 32.500 -0.007 0.000 1.102 661 K HN 0.095 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 0.037 63.132 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.356 31.700 -0.049 0.000 0.848 663 L N 1.306 122.559 121.223 0.050 0.000 2.717 663 L HA 0.538 4.878 4.340 -0.000 0.000 0.239 663 L C 0.800 177.714 176.870 0.074 0.000 1.086 663 L CA 0.112 54.986 54.840 0.058 0.000 0.897 663 L CB 0.326 42.433 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.084 122.796 122.820 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 0.121 0.000 0.693 664 A CB 1.411 20.620 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.360 115.058 115.700 -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 -1.704 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.065 0.000 0.863 665 S CB 2.026 64.872 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.196 107.248 108.800 -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 -2.159 172.204 174.900 -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 -0.539 119.489 120.200 -0.286 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.312 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.592 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.729 125.766 119.914 0.205 0.000 2.668 668 V HA 0.432 4.552 4.120 -0.000 0.000 0.304 668 V C -2.425 173.763 176.094 0.157 0.000 1.071 668 V CA -1.841 60.570 62.300 0.185 0.000 0.894 668 V CB 2.058 34.007 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.254 nan 4.420 nan 0.000 0.276 669 P C -0.673 176.683 177.300 0.094 0.000 1.235 669 P CA -0.035 63.126 63.100 0.101 0.000 0.772 669 P CB 0.855 32.610 31.700 0.092 0.000 0.871 670 L N 3.115 124.380 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.511 177.429 176.870 0.080 0.000 1.099 670 L CA 0.233 55.103 54.840 0.050 0.000 0.808 670 L CB 0.571 42.608 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.252 122.702 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 671 D C -1.328 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 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 0.519 120.264 119.914 -0.281 0.000 2.638 672 V HA 0.899 5.018 4.120 -0.000 0.000 0.306 672 V C 0.517 176.373 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.775 62.300 -0.179 0.000 0.885 672 V CB 1.424 33.269 31.823 0.035 0.000 0.999 672 V HN 0.435 nan 8.190 nan 0.000 0.424 673 A N 5.597 128.391 122.820 -0.043 0.000 2.371 673 A HA 0.770 5.090 4.320 -0.000 0.000 0.257 673 A C -2.296 175.318 177.584 0.049 0.000 1.089 673 A CA -1.538 50.563 52.037 0.105 0.000 0.794 673 A CB -0.162 18.943 19.000 0.175 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.396 176.903 177.300 -0.001 0.000 1.165 674 P CA 0.720 63.837 63.100 0.027 0.000 0.759 674 P CB 0.139 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.238 118.545 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.377 57.157 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.261 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.288 109.097 108.800 0.015 0.000 2.552 676 G HA2 0.614 4.574 3.960 -0.000 0.000 0.318 676 G HA3 0.614 4.574 3.960 -0.000 0.000 0.318 676 G C -0.624 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.461 119.964 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 677 K C -0.835 175.801 176.600 0.060 0.000 0.942 677 K CA -0.548 55.768 56.287 0.047 0.000 0.816 677 K CB 2.381 34.903 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.332 123.173 119.800 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 30.162 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.095 126.353 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.450 176.444 176.870 0.040 0.000 1.049 679 L CA -0.680 54.186 54.840 0.044 0.000 0.804 679 L CB 1.201 43.275 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 -0.289 175.801 176.117 -0.045 0.000 1.009 680 I CA -0.739 60.569 61.300 0.012 0.000 1.111 680 I CB 2.028 40.055 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.598 126.775 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.889 176.600 -0.116 0.000 1.046 681 E CA -0.303 56.056 56.400 -0.069 0.000 0.857 681 E CB 1.365 31.042 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.163 127.279 121.223 -0.178 0.000 2.312 682 L HA 0.327 4.667 4.340 -0.000 0.000 0.281 682 L C -1.864 174.897 176.870 -0.182 0.000 1.070 682 L CA -1.902 52.776 54.840 -0.270 0.000 0.805 682 L CB 1.217 43.038 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.405 176.840 177.300 -0.091 0.000 1.223 683 P CA -0.321 62.738 63.100 -0.069 0.000 0.785 683 P CB 0.504 32.213 31.700 0.014 0.000 0.923 684 E N 0.996 121.169 120.200 -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 56.658 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 6.073 127.262 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 685 L C -1.941 174.924 176.870 -0.008 0.000 1.080 685 L CA -2.149 52.668 54.840 -0.039 0.000 0.803 685 L CB 0.627 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 62.802 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 54.211 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 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.148 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.990 31.700 0.034 0.000 0.837 689 E N 0.198 120.410 120.200 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 56.904 56.400 0.018 0.000 0.826 689 E CB -0.592 29.118 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 0.439 63.660 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.395 124.239 122.820 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 0.004 19.032 19.000 0.047 0.000 1.047 691 A HN 1.864 nan 8.150 nan 0.000 0.487 692 G N -0.243 108.595 108.800 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 -0.891 44.265 45.100 0.093 0.000 0.940 692 G HN 0.849 nan 8.290 nan 0.000 0.536 693 Q N -0.609 119.269 119.800 0.131 0.000 2.290 693 Q HA 0.595 4.935 4.340 -0.000 0.000 0.259 693 Q C -0.667 175.419 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.116 55.803 0.063 0.000 0.912 693 Q CB 2.089 30.902 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.026 125.222 121.223 -0.045 0.000 2.264 694 L HA 0.479 4.818 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 0.051 54.917 54.840 0.044 0.000 0.807 694 L CB 0.414 42.472 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.414 126.780 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 -0.000 0.000 0.337 695 W C -1.063 175.561 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.683 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.918 124.441 121.223 0.499 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.376 176.799 176.870 0.508 0.000 1.035 696 L CA 0.098 55.200 54.840 0.437 0.000 0.806 696 L CB 1.341 43.602 42.059 0.336 0.000 1.214 696 L HN 0.367 nan 8.230 nan 0.000 0.426 697 T N 4.841 119.638 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 697 T C -0.861 174.021 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.609 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 -0.627 175.522 176.094 0.091 0.000 1.054 698 V CA -1.075 61.315 62.300 0.150 0.000 0.928 698 V CB 1.927 33.754 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.900 122.476 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 -0.000 0.000 0.274 699 R C -1.713 174.648 176.300 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 3.123 123.117 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 700 V C -0.613 175.492 176.094 0.019 0.000 1.025 700 V CA -0.681 61.664 62.300 0.075 0.000 0.859 700 V CB 1.734 33.621 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.225 124.094 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.427 175.666 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.995 33.668 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.889 123.721 119.800 0.052 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.809 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.811 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 0.803 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 0.741 123.509 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 705 A C 0.578 178.038 177.584 -0.206 0.000 1.099 705 A CA -0.103 51.841 52.037 -0.156 0.000 0.801 705 A CB 0.063 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 -3.865 110.476 114.554 -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 1.427 nan 8.240 nan 0.000 0.532 707 A N -0.051 122.682 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 707 A C 1.556 179.252 177.584 0.186 0.000 1.154 707 A CA 1.103 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 0.078 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.174 176.306 176.519 -0.065 0.000 0.999 708 W CA 0.439 57.791 57.345 0.013 0.000 1.629 708 W CB -1.133 28.322 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.233 115.447 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.499 173.835 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.769 65.123 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.884 120.937 120.200 -0.245 0.000 2.369 710 E HA 0.516 4.866 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.369 55.962 56.400 -0.114 0.000 0.932 710 E CB 0.944 30.628 29.700 -0.027 0.000 1.040 710 E HN 0.883 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 0.455 52.478 52.037 -0.024 0.000 0.798 711 A CB 0.020 19.009 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.009 108.822 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.103 175.038 174.900 0.058 0.000 1.005 712 G CA 0.739 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 0.172 119.232 119.070 -0.017 0.000 2.732 713 H HA 0.514 5.070 4.556 -0.000 0.000 0.351 713 H C 0.459 175.829 175.328 0.070 0.000 1.090 713 H CA -0.631 55.432 56.048 0.026 0.000 1.431 713 H CB 0.341 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.739 125.030 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 714 I C 1.162 177.104 176.117 -0.292 0.000 1.019 714 I CA 0.067 61.212 61.300 -0.258 0.000 1.302 714 I CB 0.627 38.552 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.048 119.791 115.700 0.071 0.000 2.505 715 S HA 0.631 5.101 4.470 -0.000 0.000 0.216 715 S C 0.560 175.400 174.600 0.399 0.000 1.018 715 S CA 0.168 58.549 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 0.497 123.583 122.820 0.443 0.000 2.605 716 A HA 0.652 4.971 4.320 -0.000 0.000 0.294 716 A C -1.758 176.162 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.396 19.688 19.000 0.486 0.000 1.278 716 A HN 0.896 nan 8.150 nan 0.000 0.410 717 W N 0.109 121.561 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 -0.000 0.000 0.343 717 W C -1.132 175.410 176.519 0.038 0.000 1.246 717 W CA -0.659 56.724 57.345 0.063 0.000 1.178 717 W CB 1.225 30.672 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.662 121.483 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.366 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 -1.372 174.517 176.000 -0.186 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.166 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.504 123.000 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.522 176.051 176.519 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 2.368 122.818 120.500 -0.084 0.000 2.198 721 R HA 0.304 4.644 4.340 -0.000 0.000 0.339 721 R C 0.740 176.832 176.300 -0.346 0.000 1.020 721 R CA -0.162 55.483 56.100 -0.757 0.000 0.864 721 R CB 0.592 30.068 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 -0.257 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 -0.162 0.000 1.074 722 L CA 1.035 55.788 54.840 -0.145 0.000 0.749 722 L CB -0.202 41.814 42.059 -0.073 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.826 121.881 122.820 -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 0.137 120.280 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.813 174.770 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.376 31.032 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.424 123.120 118.700 -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 0.814 122.047 121.223 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 0.518 175.140 174.600 0.037 0.000 1.170 727 S CA -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.723 63.953 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.791 122.724 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.776 176.887 176.094 0.029 0.000 1.379 728 V CA -0.080 62.237 62.300 0.028 0.000 1.191 728 V CB -1.148 30.689 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.186 114.387 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.535 174.185 174.700 0.032 0.000 0.992 729 T CA -0.593 61.525 62.100 0.030 0.000 1.015 729 T CB 1.985 70.870 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.738 122.978 121.223 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 52.742 54.840 0.029 0.000 0.815 730 L CB 0.648 42.722 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.271 nan 4.420 nan 0.000 0.267 731 P C -0.476 176.836 177.300 0.020 0.000 1.209 731 P CA -0.337 62.777 63.100 0.024 0.000 0.763 731 P CB 0.859 32.573 31.700 0.025 0.000 0.816 732 A N 3.303 126.132 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 732 A C 0.709 178.301 177.584 0.012 0.000 1.082 732 A CA -0.051 51.997 52.037 0.019 0.000 0.786 732 A CB -0.258 18.753 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.076 123.915 122.820 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 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.688 19.000 0.087 0.000 1.015 733 A HN 1.545 nan 8.150 nan 0.000 0.498 734 S N 0.159 115.851 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.984 4.470 -0.000 0.000 0.297 734 S C 0.063 174.687 174.600 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 64.071 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.240 119.320 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.653 175.988 175.328 0.012 0.000 0.982 735 H CA 0.443 56.498 56.048 0.012 0.000 1.146 735 H CB -0.297 29.471 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.583 123.464 122.820 0.101 0.000 2.557 736 A HA 0.658 4.978 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 1.339 20.379 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.630 118.968 120.570 0.046 0.000 2.802 737 I HA 0.744 4.913 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 -2.547 58.778 61.300 0.042 0.000 1.025 737 I CB 2.452 40.468 38.000 0.026 0.000 1.243 737 I HN 0.402 nan 8.210 nan 0.000 0.424 738 P HA -0.027 nan 4.420 nan 0.000 0.267 738 P C -1.307 176.086 177.300 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 2.041 121.140 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.750 174.603 175.328 0.042 0.000 1.012 739 H CA -1.143 54.926 56.048 0.034 0.000 1.213 739 H CB 0.862 30.646 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.443 125.625 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.394 55.138 54.840 -0.160 0.000 0.813 740 L CB 1.396 43.401 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.543 117.016 114.554 -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 0.092 0.000 0.960 741 T CA -0.554 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.865 69.649 68.868 -0.141 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.115 114.554 0.135 0.000 2.816 742 T HA 0.774 5.124 4.350 -0.000 0.000 0.282 742 T C 0.390 175.163 174.700 0.122 0.000 0.993 742 T CA -0.520 61.727 62.100 0.245 0.000 0.994 742 T CB 1.297 70.324 68.868 0.266 0.000 1.025 742 T HN 0.713 nan 8.240 nan 0.000 0.529 743 S N -1.066 114.678 115.700 0.074 0.000 2.703 743 S HA 0.300 4.769 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 1.180 64.382 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.199 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.426 177.958 176.600 -0.112 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 0.912 120.456 119.600 -0.092 0.000 2.476 745 M HA 0.101 4.580 4.480 -0.000 0.000 0.262 745 M C -0.127 176.087 176.300 -0.144 0.000 1.111 745 M CA 0.808 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.589 31.989 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.932 118.358 120.400 -0.183 0.000 2.865 746 D HA 0.443 5.083 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.200 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.629 41.422 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.582 124.916 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.774 174.987 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 56.400 0.225 0.000 0.767 750 E CB 2.790 32.545 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.143 125.517 121.223 0.251 0.000 2.811 751 L HA 0.461 4.800 4.340 -0.000 0.000 0.251 751 L C -0.107 176.835 176.870 0.121 0.000 0.971 751 L CA 0.769 55.737 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 3.660 112.504 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G C 0.591 175.487 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.969 119.650 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.796 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.431 54.443 53.050 -0.063 0.000 0.904 753 N CB -0.122 38.330 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.361 120.678 120.400 -0.138 0.000 2.298 754 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 754 K C -0.194 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.176 55.905 56.287 -0.343 0.000 0.958 754 K CB 1.141 33.368 32.500 -0.453 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.860 122.043 120.500 -0.527 0.000 2.626 755 R HA 0.367 4.707 4.340 -0.000 0.000 0.274 755 R C -1.654 174.517 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.229 124.628 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.715 175.883 176.519 0.133 0.000 1.083 756 W CA -0.563 56.837 57.345 0.092 0.000 1.233 756 W CB 2.239 31.727 29.460 0.046 0.000 1.412 756 W HN 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.482 122.421 119.800 0.232 0.000 2.356 757 Q HA 0.522 4.862 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.508 55.421 55.803 0.210 0.000 0.802 757 Q CB 1.910 30.835 28.738 0.311 0.000 1.303 757 Q HN 0.349 nan 8.270 nan 0.000 0.444 758 F N 2.760 122.799 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 758 F C 0.523 176.339 175.800 0.027 0.000 1.123 758 F CA -0.870 57.182 58.000 0.088 0.000 1.021 758 F CB 1.442 40.507 39.000 0.109 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.641 122.435 118.700 0.156 0.000 2.475 759 N HA 0.053 4.792 4.740 -0.000 0.000 0.267 759 N C 0.880 176.388 175.510 -0.002 0.000 1.169 759 N CA 0.076 53.165 53.050 0.064 0.000 0.947 759 N CB 0.750 39.285 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.370 122.792 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.125 177.349 176.300 -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 -0.661 119.098 119.800 -0.068 0.000 2.204 761 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 761 Q C 2.080 178.060 176.000 -0.035 0.000 0.946 761 Q CA 1.521 57.295 55.803 -0.048 0.000 0.859 761 Q CB 0.348 29.076 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.408 114.297 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.115 174.600 -0.173 0.000 1.019 762 S CA 0.506 58.733 58.200 0.045 0.000 0.937 762 S CB 0.132 63.484 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.381 109.101 108.800 -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 0.373 45.369 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 0.512 176.372 175.800 0.100 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.315 40.412 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.535 122.853 121.223 0.158 0.000 2.485 765 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 765 L C 0.584 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.214 54.840 -0.484 0.000 0.888 765 L CB 0.118 41.870 42.059 -0.512 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.674 118.287 115.700 -0.145 0.000 2.425 766 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 766 S C 0.457 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.429 58.590 58.200 -0.065 0.000 0.951 766 S CB -0.043 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 -0.246 119.407 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.043 176.000 -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 29.762 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.077 119.226 119.600 -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 1.960 34.240 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.044 124.115 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.533 174.781 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.059 31.384 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.419 122.993 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 -0.000 0.000 0.281 770 I C 0.727 176.837 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.074 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 5.583 114.370 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G C 0.292 175.211 174.900 0.032 0.000 1.159 771 G CA 0.474 45.565 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.948 121.380 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.612 177.045 176.300 0.222 0.000 1.093 772 D CA 0.213 54.277 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 1.026 121.527 120.400 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 -0.468 55.857 56.287 0.064 0.000 0.888 773 K CB 1.709 34.205 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 0.767 177.151 176.600 -0.360 0.000 1.011 774 K CA -0.187 55.756 56.287 -0.573 0.000 0.953 774 K CB 0.689 32.909 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.045 120.603 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.127 175.780 176.000 -0.155 0.000 0.863 775 Q CA 0.428 56.117 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 0.353 121.433 121.223 -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 -0.189 0.000 0.818 776 L CB 1.664 43.620 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.069 121.160 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 -0.000 0.000 0.220 777 L C 0.578 177.335 176.870 -0.188 0.000 1.106 777 L CA 0.740 55.455 54.840 -0.209 0.000 0.851 777 L CB 0.274 42.186 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.260 114.171 114.554 -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 -0.091 0.000 1.119 778 T CA -1.277 60.745 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.090 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.763 176.509 177.300 -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 3.915 125.146 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 780 L C 0.542 177.358 176.870 -0.089 0.000 1.108 780 L CA 0.458 55.330 54.840 0.054 0.000 0.852 780 L CB -0.782 41.418 42.059 0.235 0.000 1.169 780 L HN 0.462 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.353 120.500 -0.176 0.000 2.799 781 R HA 0.617 4.957 4.340 -0.000 0.000 0.270 781 R C -1.084 175.094 176.300 -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 0.896 121.206 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 782 D C -0.638 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.554 54.334 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 0.350 nan 8.370 nan 0.000 0.438 783 Q N 1.639 120.850 119.800 -0.981 0.000 2.289 783 Q HA 0.309 4.649 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 -0.870 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 0.573 120.194 119.950 -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 -0.695 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 -0.795 113.505 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.489 173.973 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.563 0.000 1.007 785 T CB 2.585 71.072 68.868 -0.636 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.540 119.753 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.162 175.183 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.489 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 3.385 126.237 122.820 0.054 0.000 2.444 787 A HA 0.325 4.644 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 -1.554 50.519 52.037 0.059 0.000 0.858 787 A CB -0.470 18.516 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 0.767 64.018 63.100 0.251 0.000 0.758 788 P CB 0.223 32.096 31.700 0.288 0.000 0.763 789 L N 2.471 123.769 121.223 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 1.631 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.499 55.389 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 1.135 119.785 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.724 175.510 0.036 0.000 1.015 791 N CA 0.783 53.815 53.050 -0.029 0.000 0.862 791 N CB -0.297 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.174 120.610 120.400 0.060 0.000 2.264 792 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 792 D C 1.893 178.262 176.300 0.114 0.000 0.966 792 D CA 0.431 54.510 54.000 0.131 0.000 0.864 792 D CB 0.151 41.106 40.800 0.258 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 1.893 178.044 176.117 0.058 0.000 1.115 793 I CA 0.605 61.940 61.300 0.059 0.000 1.446 793 I CB -0.148 37.864 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 0.933 46.142 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.213 117.805 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.951 177.067 176.094 0.037 0.000 1.403 795 V CA 1.026 63.386 62.300 0.099 0.000 1.143 795 V CB 0.332 32.117 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.321 117.046 115.700 0.042 0.000 2.533 796 S HA 0.361 4.830 4.470 -0.000 0.000 0.282 796 S C -0.148 174.467 174.600 0.026 0.000 1.304 796 S CA 0.191 58.402 58.200 0.018 0.000 1.063 796 S CB 0.466 63.674 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.858 122.067 120.200 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 1.458 124.297 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.789 54.845 52.037 0.031 0.000 0.638 798 A CB -1.234 17.791 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.329 112.236 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 799 T C 1.187 175.888 174.700 0.001 0.000 1.040 799 T CA 1.294 63.400 62.100 0.011 0.000 1.147 799 T CB -0.125 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.549 121.046 120.500 -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 0.204 30.485 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.854 122.417 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.240 176.342 176.117 -0.025 0.000 1.124 801 I CA 0.528 61.821 61.300 -0.011 0.000 1.417 801 I CB 0.805 38.802 38.000 -0.006 0.000 1.396 801 I HN 0.397 nan 8.210 nan 0.000 0.571 802 D N 8.680 129.063 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.693 174.566 176.300 -0.069 0.000 1.102 802 D CA -2.371 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.146 41.922 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.040 64.083 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.938 31.700 -0.081 0.000 0.771 804 N N -0.549 118.051 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.844 176.147 175.510 -0.345 0.000 1.082 804 N CA 0.093 52.989 53.050 -0.257 0.000 0.885 804 N CB -0.068 38.283 38.487 -0.227 0.000 0.977 804 N HN 0.096 nan 8.380 nan 0.000 0.462 805 A N 0.670 123.350 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 805 A C 0.764 178.143 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.012 18.939 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.922 122.959 121.300 -0.438 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.937 58.735 57.345 -0.911 0.000 1.264 806 W CB -0.480 28.291 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.777 120.611 119.914 -0.133 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 64.732 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N 0.163 120.368 120.200 0.008 0.000 2.051 808 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.508 57.903 56.400 -0.008 0.000 0.799 808 E CB -0.394 29.271 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 2.315 178.570 176.300 -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 2.072 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.475 57.681 57.345 -0.232 0.000 1.274 810 W CB -0.591 28.869 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.094 120.533 120.400 0.378 0.000 1.985 811 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 811 K C 2.203 178.883 176.600 0.134 0.000 1.047 811 K CA 1.752 58.226 56.287 0.312 0.000 0.932 811 K CB -0.691 31.940 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.281 124.147 122.820 0.076 0.000 1.978 812 A HA -0.146 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 1.951 54.011 52.037 0.038 0.000 0.636 812 A CB -0.529 18.477 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.066 120.737 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.932 179.427 177.584 -0.149 0.000 1.152 813 A CA 1.341 53.357 52.037 -0.035 0.000 0.708 813 A CB -0.812 18.145 19.000 -0.071 0.000 0.805 813 A HN 1.913 nan 8.150 nan 0.000 0.460 814 G N -1.862 106.801 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G C 0.623 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.436 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.239 117.782 119.070 -0.082 0.000 2.353 815 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 815 H C 2.191 177.477 175.328 -0.070 0.000 1.103 815 H CA 1.671 57.678 56.048 -0.069 0.000 1.293 815 H CB 0.033 29.692 29.762 -0.171 0.000 1.372 815 H HN 0.596 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.214 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.642 177.621 175.900 0.131 0.000 1.141 816 Y CA 0.800 58.978 58.100 0.129 0.000 1.308 816 Y CB 0.323 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.980 118.976 119.800 0.260 0.000 2.063 817 Q HA 0.473 4.813 4.340 -0.000 0.000 0.245 817 Q C -0.270 175.905 176.000 0.292 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.307 29.189 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 0.386 4.705 4.320 -0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.178 52.076 52.037 0.362 0.000 0.798 818 A CB 0.522 19.723 19.000 0.336 0.000 1.033 818 A HN 0.309 nan 8.150 nan 0.000 0.488 819 E N 0.612 120.995 120.200 0.305 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.070 176.513 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.713 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 2.364 125.045 122.820 -0.231 0.000 2.407 820 A HA 0.601 4.921 4.320 -0.000 0.000 0.248 820 A C -0.231 177.180 177.584 -0.287 0.000 1.082 820 A CA -0.064 51.531 52.037 -0.737 0.000 0.785 820 A CB 0.531 19.102 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 0.723 19.665 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 0.071 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 3.639 124.709 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.447 177.249 176.870 -0.113 0.000 1.065 823 L CA 0.190 54.954 54.840 -0.127 0.000 0.842 823 L CB 0.205 42.224 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.582 119.122 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.286 31.000 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.781 122.061 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.063 173.997 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.029 0.000 1.260 825 C CB 0.815 28.563 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.823 117.415 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.034 174.700 -0.217 0.000 1.108 826 T CA -0.018 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.683 68.868 -0.026 0.000 1.159 826 T HN 2.019 nan 8.240 nan 0.000 0.499 827 A N 1.606 124.168 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 827 A C -1.208 176.162 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.437 19.673 19.000 -1.273 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.201 120.436 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.310 174.909 176.300 -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 1.849 116.347 114.554 -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 0.893 69.739 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.702 122.900 121.223 -0.041 0.000 2.376 830 L HA 0.667 5.007 4.340 -0.000 0.000 0.267 830 L C 1.752 178.611 176.870 -0.017 0.000 1.035 830 L CA -0.483 54.340 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 0.693 nan 8.230 nan 0.000 0.462 831 A N -0.274 122.539 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.190 4.320 -0.000 0.000 0.219 831 A C 0.863 178.447 177.584 -0.001 0.000 1.164 831 A CA 1.948 53.982 52.037 -0.004 0.000 0.644 831 A CB -0.693 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 -2.577 117.821 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 -0.000 0.000 0.217 832 D C 0.262 176.556 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.460 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 0.739 19.712 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.274 120.134 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.922 175.091 176.094 -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 33.111 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.695 126.831 121.223 -0.146 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 54.676 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 3.452 123.918 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.145 176.250 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.746 61.300 -0.229 0.000 1.113 836 I CB 1.785 39.458 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.933 116.473 114.554 -0.023 0.000 2.886 837 T HA 0.851 5.201 4.350 -0.000 0.000 0.292 837 T C -0.365 174.389 174.700 0.089 0.000 1.012 837 T CA -0.462 61.676 62.100 0.064 0.000 0.982 837 T CB 2.044 70.929 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.455 114.194 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.753 174.030 174.700 0.138 0.000 1.087 838 T CA -0.822 61.359 62.100 0.135 0.000 1.009 838 T CB 1.647 70.696 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.317 124.152 122.820 0.024 0.000 2.480 839 A HA 0.712 5.032 4.320 -0.000 0.000 0.289 839 A C -1.485 176.058 177.584 -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 19.698 19.000 0.049 0.000 1.289 839 A HN 0.978 nan 8.150 nan 0.000 0.401 840 H N 0.257 119.387 119.070 0.099 0.000 2.834 840 H HA 0.878 5.434 4.556 -0.000 0.000 0.369 840 H C -0.001 175.344 175.328 0.029 0.000 1.174 840 H CA 0.108 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 1.059 nan 8.280 nan 0.000 0.558 841 A N 1.026 123.838 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 841 A C -1.501 176.092 177.584 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 0.548 nan 8.150 nan 0.000 0.420 842 W N 2.091 123.474 121.300 0.138 0.000 2.361 842 W HA 0.451 5.111 4.660 -0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.174 57.225 57.345 0.089 0.000 1.208 842 W CB 1.588 31.125 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.382 121.285 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.926 175.188 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.517 32.292 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.037 120.123 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.072 174.278 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 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 0.974 176.928 176.000 -0.077 0.000 1.345 845 Q CA 1.172 56.823 55.803 -0.254 0.000 0.854 845 Q CB -1.443 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 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.705 45.800 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.097 121.514 120.400 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 0.906 33.434 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.517 120.073 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.108 175.745 174.700 -0.104 0.000 0.956 848 T CA -0.592 61.500 62.100 -0.014 0.000 0.987 848 T CB 0.526 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 2.041 123.086 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 -0.000 0.000 0.202 849 L C 0.088 176.510 176.870 -0.747 0.000 1.074 849 L CA 0.990 55.389 54.840 -0.735 0.000 0.757 849 L CB -0.111 41.026 42.059 -1.538 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.036 118.869 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.752 39.000 -0.684 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.391 122.216 120.570 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 2.209 40.377 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.967 123.040 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.729 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.869 58.200 0.547 0.000 1.070 852 S CB 0.755 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 3.617 124.289 120.500 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 1.841 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 0.539 4.859 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 2.357 34.767 32.500 -0.148 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.365 113.089 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.485 173.119 174.700 -0.160 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.398 69.254 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.473 121.757 120.300 -0.026 0.000 2.350 856 Y HA 0.707 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.434 176.284 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.931 40.418 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.534 125.082 120.500 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 -0.278 175.739 176.117 -0.166 0.000 0.994 858 I CA -0.894 60.253 61.300 -0.254 0.000 1.191 858 I CB 1.488 39.174 38.000 -0.524 0.000 1.343 858 I HN 0.740 nan 8.210 nan 0.000 0.458 859 D N 4.369 124.705 120.400 -0.107 0.000 2.549 859 D HA 0.240 4.880 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 -0.702 53.267 54.000 -0.052 0.000 1.070 859 D CB 0.778 41.566 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 1.126 176.030 174.900 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 -1.005 114.700 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.764 176.395 174.600 0.052 0.000 0.975 861 S CA 0.924 59.131 58.200 0.011 0.000 0.912 861 S CB 0.046 63.251 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.817 109.664 108.800 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 -0.583 119.261 119.800 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 -0.543 55.311 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 -1.471 174.926 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.181 33.821 32.600 0.066 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.918 129.802 122.820 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 1.406 122.007 120.570 0.051 0.000 2.530 866 I HA 0.472 4.641 4.170 -0.000 0.000 0.297 866 I C -0.142 175.876 176.117 -0.166 0.000 1.011 866 I CA -0.377 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.401 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 4.863 119.260 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 867 T C -0.720 173.770 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.263 0.000 0.975 867 T CB 1.860 70.669 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.185 123.764 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.782 175.145 176.094 -0.277 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.083 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 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.091 175.347 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.899 43.841 40.800 0.236 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.805 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 870 V C 0.026 176.279 176.094 0.264 0.000 1.054 870 V CA -0.736 61.742 62.300 0.295 0.000 0.928 870 V CB 2.632 34.649 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.751 122.094 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.612 32.415 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.116 122.160 119.914 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 61.542 62.300 0.255 0.000 0.860 872 V CB 1.559 33.540 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.381 126.287 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 873 A C 1.631 179.303 177.584 0.147 0.000 1.063 873 A CA 0.666 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 1.307 117.083 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.886 175.572 174.600 0.144 0.000 1.007 874 S CA 1.344 59.633 58.200 0.147 0.000 0.965 874 S CB -0.269 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 0.141 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 -0.011 54.037 54.000 0.081 0.000 0.837 875 D CB -0.265 40.567 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.616 115.252 114.554 0.137 0.000 2.943 876 T HA 0.456 4.806 4.350 -0.000 0.000 0.284 876 T C -2.690 172.135 174.700 0.209 0.000 1.015 876 T CA -2.026 60.182 62.100 0.180 0.000 1.042 876 T CB 1.394 70.400 68.868 0.229 0.000 1.055 876 T HN -0.213 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.598 176.990 177.300 0.481 0.000 1.216 877 P CA -0.217 62.983 63.100 0.166 0.000 0.771 877 P CB 0.113 31.893 31.700 0.135 0.000 0.864 878 H N 3.074 122.483 119.070 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 -1.636 54.690 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 0.452 177.669 177.300 -0.138 0.000 1.228 879 P CA -0.299 62.861 63.100 0.100 0.000 0.786 879 P CB 0.769 32.372 31.700 -0.162 0.000 0.927 880 A N 3.483 125.995 122.820 -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 -0.606 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -3.014 117.159 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.894 174.170 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.537 30.485 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.160 121.529 120.570 -0.334 0.000 2.540 882 I HA 0.640 4.810 4.170 -0.000 0.000 0.280 882 I C -0.443 175.433 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.661 61.300 -0.326 0.000 1.080 882 I CB 1.727 39.616 38.000 -0.186 0.000 1.205 882 I HN 1.010 nan 8.210 nan 0.000 0.459 883 G N 5.929 114.451 108.800 -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 0.674 121.772 121.223 -0.209 0.000 2.327 884 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 884 L C -0.844 175.921 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.638 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 0.225 118.851 118.700 -0.124 0.000 2.927 885 N HA 0.688 5.428 4.740 -0.000 0.000 0.248 885 N C -1.276 174.243 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.168 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 -1.927 117.421 119.300 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 -0.135 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 1.360 120.869 119.800 -0.484 0.000 2.372 887 Q HA 0.640 4.980 4.340 -0.000 0.000 0.259 887 Q C -1.009 174.715 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.824 28.636 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.742 123.779 121.223 -0.311 0.000 2.397 888 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 888 L C 1.199 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.526 54.840 -0.129 0.000 0.825 888 L CB 0.963 43.041 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.542 125.296 122.820 -0.109 0.000 1.969 889 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 889 A C 1.132 178.679 177.584 -0.061 0.000 1.169 889 A CA 0.757 52.729 52.037 -0.109 0.000 0.635 889 A CB -0.262 18.668 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.598 119.196 119.800 -0.010 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.882 176.000 0.016 0.000 1.006 890 Q CA 0.098 55.892 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 2.093 121.984 119.914 -0.039 0.000 2.610 891 V HA 0.738 4.858 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 1.098 32.931 31.823 0.017 0.000 1.015 891 V HN 0.945 nan 8.190 nan 0.000 0.432 892 A N 3.278 126.007 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.632 178.258 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.194 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 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.021 57.473 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 -0.577 120.019 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.396 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.140 32.526 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.551 121.653 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.653 175.709 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.912 33.907 31.823 0.287 0.000 1.002 895 V HN 0.718 nan 8.190 nan 0.000 0.424 896 N N 4.073 123.027 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.291 896 N C -1.468 174.313 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.367 0.000 0.864 896 N CB 2.911 41.506 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.137 124.495 121.300 0.096 0.000 3.074 897 W HA 0.613 5.273 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 56.313 57.345 0.068 0.000 1.180 897 W CB 0.734 30.265 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.909 125.146 121.223 0.022 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.022 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.082 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.718 42.059 -0.163 0.000 1.224 898 L HN 1.029 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 -1.588 173.465 174.900 0.254 0.000 1.226 899 G CA -1.010 44.175 45.100 0.142 0.000 0.913 899 G HN 0.369 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 0.583 4.923 4.340 -0.000 0.000 0.278 900 L C 0.966 177.903 176.870 0.111 0.000 1.113 900 L CA 0.508 55.491 54.840 0.239 0.000 0.849 900 L CB 0.445 42.576 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.556 112.158 108.800 -0.330 0.000 2.606 901 G HA2 0.471 4.431 3.960 -0.000 0.000 0.300 901 G HA3 0.471 4.431 3.960 -0.000 0.000 0.300 901 G C -2.749 171.286 174.900 -1.441 0.000 1.360 901 G CA -0.375 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.808 63.100 -0.995 0.000 0.824 902 P CB 0.614 31.884 31.700 -0.716 0.000 1.077 903 Q N 0.820 120.422 119.800 -0.330 0.000 2.318 903 Q HA 0.136 4.476 4.340 -0.000 0.000 0.222 903 Q C 0.335 176.209 176.000 -0.210 0.000 1.003 903 Q CA -0.528 55.151 55.803 -0.205 0.000 0.936 903 Q CB 0.785 29.430 28.738 -0.155 0.000 1.204 903 Q HN 0.175 nan 8.270 nan 0.000 0.524 904 E N 1.389 121.475 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.915 904 E HN 0.611 nan 8.360 nan 0.000 0.487 905 N N 2.775 121.302 118.700 -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 -0.190 120.021 120.300 -0.148 0.000 2.602 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.342 906 Y C -1.655 174.179 175.900 -0.112 0.000 1.029 906 Y CA -2.060 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.752 40.109 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.437 177.676 177.300 -0.102 0.000 1.157 907 P CA 2.211 65.359 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.107 118.035 120.400 -0.430 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.553 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.032 53.574 54.000 -0.763 0.000 0.833 908 D CB -0.247 39.766 40.800 -1.312 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.019 121.480 120.500 -0.063 0.000 2.928 909 R HA 0.213 4.552 4.340 -0.000 0.000 0.248 909 R C -0.762 175.573 176.300 0.058 0.000 1.796 909 R CA -0.218 55.899 56.100 0.029 0.000 1.477 909 R CB 0.082 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 -0.899 120.369 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.236 178.169 176.870 0.105 0.000 1.247 910 L CA 0.226 55.107 54.840 0.068 0.000 1.133 910 L CB 0.113 42.195 42.059 0.038 0.000 1.498 910 L HN 0.161 nan 8.230 nan 0.000 0.628 911 T N -2.378 112.266 114.554 0.150 0.000 2.881 911 T HA 0.001 4.351 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 1.391 63.607 62.100 0.192 0.000 1.131 911 T CB -0.293 68.729 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.208 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.686 179.368 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.864 18.320 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 4.963 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 0.524 120.175 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 917 R C -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.012 56.100 -1.126 0.000 0.842 917 R CB 0.504 30.415 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.785 123.524 121.300 -0.933 0.000 2.689 918 W HA 0.402 5.062 4.660 -0.000 0.000 0.340 918 W C -0.448 175.682 176.519 -0.649 0.000 1.060 918 W CA -0.638 56.102 57.345 -1.009 0.000 1.218 918 W CB 1.567 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 3.107 123.452 120.400 -0.090 0.000 2.736 919 D HA 0.519 5.159 4.640 -0.000 0.000 0.243 919 D C -1.277 175.120 176.300 0.162 0.000 1.304 919 D CA -0.122 53.925 54.000 0.078 0.000 0.934 919 D CB 1.212 42.024 40.800 0.020 0.000 1.382 919 D HN 0.394 nan 8.370 nan 0.000 0.571 920 L N 2.654 124.045 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.134 52.845 54.840 0.232 0.000 0.859 920 L CB 2.735 44.965 42.059 0.284 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.464 177.843 177.300 0.131 0.000 1.276 921 P CA -0.509 62.669 63.100 0.131 0.000 0.808 921 P CB 1.319 33.076 31.700 0.094 0.000 0.966 922 L N 3.678 124.984 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.189 179.112 176.870 0.088 0.000 1.080 922 L CA 2.848 57.757 54.840 0.114 0.000 0.776 922 L CB -1.528 40.612 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.810 113.944 115.700 0.090 0.000 2.383 923 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 923 S C 1.624 176.295 174.600 0.117 0.000 1.030 923 S CA 1.247 59.509 58.200 0.103 0.000 1.002 923 S CB -0.776 62.474 63.200 0.084 0.000 0.829 923 S HN 0.528 nan 8.310 nan 0.000 0.467 924 D N 1.319 121.770 120.400 0.085 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.193 177.509 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.185 40.652 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.230 119.395 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 -0.000 0.000 0.224 925 M C -0.156 176.163 176.300 0.031 0.000 1.171 925 M CA -0.020 55.264 55.300 -0.027 0.000 0.993 925 M CB -0.966 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 -0.156 120.099 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.854 174.966 175.900 -0.134 0.000 0.969 926 Y CA -0.803 57.255 58.100 -0.070 0.000 1.052 926 Y CB 1.529 40.001 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.635 122.645 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.197 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.981 62.100 -1.041 0.000 0.983 927 T CB 0.962 69.331 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.039 nan 4.420 nan 0.000 0.246 928 P C -0.565 176.558 177.300 -0.295 0.000 1.675 928 P CA -0.302 62.357 63.100 -0.735 0.000 0.908 928 P CB -0.895 30.528 31.700 -0.462 0.000 1.890 929 Y N -0.429 119.755 120.300 -0.194 0.000 2.632 929 Y HA -0.090 4.460 4.550 -0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.496 57.566 58.100 -0.062 0.000 1.469 929 Y CB 0.495 38.870 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.314 124.417 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.628 176.874 176.094 0.253 0.000 1.060 930 V CA 1.678 64.147 62.300 0.280 0.000 1.030 930 V CB -0.512 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.403 123.388 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 931 F C -2.323 173.474 175.800 -0.005 0.000 1.122 931 F CA -3.187 54.799 58.000 -0.023 0.000 1.120 931 F CB 0.957 39.832 39.000 -0.208 0.000 1.142 931 F HN -0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.228 175.768 177.300 -0.508 0.000 1.238 932 P CA -0.183 62.653 63.100 -0.440 0.000 0.794 932 P CB 1.662 33.167 31.700 -0.324 0.000 0.955 933 S N -0.351 115.242 115.700 -0.178 0.000 2.656 933 S HA 0.376 4.846 4.470 -0.000 0.000 0.265 933 S C -0.833 173.758 174.600 -0.016 0.000 1.132 933 S CA -0.933 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.249 63.432 63.200 -0.027 0.000 1.119 933 S HN 0.384 nan 8.310 nan 0.000 0.476 934 E N 1.227 121.429 120.200 0.002 0.000 2.568 934 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.076 0.000 0.961 934 E CA 1.139 57.562 56.400 0.039 0.000 0.945 934 E CB -0.313 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 1.173 119.947 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.255 175.809 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.508 39.087 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.398 107.410 108.800 0.014 0.000 2.189 936 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 936 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 936 G C -0.148 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.566 45.559 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.971 121.878 121.223 -0.528 0.000 2.506 937 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 937 L C 0.732 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.323 54.615 54.840 -0.912 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.313 nan 8.230 nan 0.000 0.496 938 R N 3.854 123.710 120.500 -1.074 0.000 2.532 938 R HA 0.475 4.815 4.340 -0.000 0.000 0.297 938 R C -1.066 174.867 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.978 56.100 -0.841 0.000 0.884 938 R CB 0.731 30.491 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.441 118.650 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 -0.000 0.000 0.393 939 C C 1.362 176.328 174.990 -0.040 0.000 1.284 939 C CA 0.087 58.989 59.018 -0.193 0.000 2.033 939 C CB 0.964 28.618 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.694 110.484 108.800 -0.016 0.000 2.338 940 G HA2 -0.167 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 0.473 45.612 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 0.448 176.800 176.300 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 1.056 121.325 120.200 0.114 0.000 2.304 943 E HA 0.286 4.636 4.350 -0.000 0.000 0.277 943 E C -1.989 174.767 176.600 0.260 0.000 0.898 943 E CA -0.630 55.906 56.400 0.226 0.000 0.764 943 E CB 1.765 31.566 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.169 125.604 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 944 L C -1.933 175.177 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 54.840 0.277 0.000 0.822 944 L CB 1.813 43.888 42.059 0.026 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.468 123.365 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.002 173.761 175.510 0.421 0.000 1.027 945 N CA -0.214 53.034 53.050 0.331 0.000 0.864 945 N CB 2.031 40.645 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.373 121.853 120.300 0.301 0.000 2.330 946 Y HA 0.448 4.998 4.550 -0.000 0.000 0.324 946 Y C 0.577 176.618 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.617 39.253 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.492 115.208 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G C -1.831 173.008 174.900 -0.102 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 0.514 177.574 177.300 -0.399 0.000 1.178 948 P CA 1.106 64.029 63.100 -0.295 0.000 0.766 948 P CB -0.111 31.339 31.700 -0.416 0.000 0.876 949 H N -0.363 118.662 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.333 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.128 55.758 56.048 -0.271 0.000 1.339 949 H CB 0.765 30.200 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.110 121.642 119.800 -0.447 0.000 2.284 950 Q HA 0.250 4.590 4.340 -0.000 0.000 0.269 950 Q C -1.934 173.820 176.000 -0.410 0.000 1.026 950 Q CA -0.727 54.926 55.803 -0.250 0.000 0.831 950 Q CB 1.666 30.387 28.738 -0.028 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.612 124.914 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.291 176.326 176.519 0.163 0.000 1.059 951 W CA -0.909 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.176 31.421 29.460 -0.359 0.000 1.416 951 W HN 0.523 nan 8.180 nan 0.000 0.505 952 R N 0.603 121.357 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.075 176.652 176.300 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 0.496 0.000 2.564 953 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.139 953 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.139 953 G C -1.758 173.310 174.900 0.278 0.000 1.147 953 G CA -0.402 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 0.818 41.671 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.099 120.051 119.950 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 1.361 121.264 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.418 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.557 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.591 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.278 118.557 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 957 F C -1.839 173.752 175.800 -0.348 0.000 1.164 957 F CA -1.038 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.460 40.325 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.893 119.447 118.700 -0.242 0.000 2.494 958 N HA 0.711 5.451 4.740 -0.000 0.000 0.270 958 N C -2.188 173.301 175.510 -0.035 0.000 1.285 958 N CA -0.705 52.167 53.050 -0.296 0.000 0.812 958 N CB 2.529 40.839 38.487 -0.296 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.373 120.902 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 959 I C -1.260 174.810 176.117 -0.078 0.000 1.222 959 I CA 0.086 61.323 61.300 -0.104 0.000 1.046 959 I CB 1.267 39.139 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.337 122.016 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 960 S C -0.320 174.243 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.627 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 -0.021 120.288 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.102 174.865 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.488 29.409 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.306 120.611 120.300 0.008 0.000 2.391 962 Y HA 0.233 4.783 4.550 -0.000 0.000 0.341 962 Y C 0.705 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.204 56.804 58.100 -0.154 0.000 1.067 962 Y CB 1.511 39.828 38.460 -0.238 0.000 1.199 962 Y HN -0.074 nan 8.280 nan 0.000 0.450 963 S N 1.756 117.122 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.535 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 -0.635 56.901 58.200 -1.107 0.000 1.015 963 S CB 1.114 63.676 63.200 -1.063 0.000 0.912 963 S HN 0.760 nan 8.310 nan 0.000 0.541 964 Q N 0.727 120.229 119.800 -0.497 0.000 2.124 964 Q HA -0.208 4.131 4.340 -0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.871 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 0.690 120.349 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.113 4.340 -0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.435 57.150 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 2.294 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.733 57.463 55.803 -0.122 0.000 0.843 966 Q CB -0.192 28.468 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.113 121.238 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.475 176.870 -0.189 0.000 1.075 967 L CA 1.441 56.170 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 -0.514 119.000 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.728 177.964 176.300 -0.106 0.000 1.063 968 M CA 1.676 56.904 55.300 -0.120 0.000 1.114 968 M CB 0.099 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.654 119.489 120.200 -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 0.436 30.113 29.700 -0.037 0.000 0.914 969 E HN 0.348 nan 8.360 nan 0.000 0.498 970 T N 0.255 114.751 114.554 -0.098 0.000 2.837 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.285 970 T C 1.117 175.751 174.700 -0.111 0.000 0.984 970 T CA -0.402 61.646 62.100 -0.087 0.000 1.049 970 T CB 1.678 70.472 68.868 -0.124 0.000 0.947 970 T HN 0.033 nan 8.240 nan 0.000 0.472 971 S N 1.478 117.204 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.245 174.939 174.600 0.157 0.000 1.011 971 S CA 0.132 58.426 58.200 0.158 0.000 0.921 971 S CB -0.174 63.265 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.708 119.814 119.070 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 1.494 31.459 29.762 0.339 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.538 122.199 120.500 0.269 0.000 2.091 973 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 973 R C 1.348 177.713 176.300 0.109 0.000 1.136 973 R CA 2.003 58.182 56.100 0.132 0.000 0.959 973 R CB -0.623 29.757 30.300 0.134 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.683 120.780 119.070 0.045 0.000 2.518 974 H HA -0.031 4.525 4.556 -0.000 0.000 0.292 974 H C 1.436 176.712 175.328 -0.087 0.000 1.068 974 H CA 1.068 57.099 56.048 -0.028 0.000 1.275 974 H CB -0.253 29.483 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.825 121.752 121.223 -0.494 0.000 2.611 975 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 975 L C 0.308 177.097 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.392 0.000 0.901 975 L CB -0.002 41.812 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.839 121.992 121.223 -0.116 0.000 2.375 976 L HA 0.317 4.656 4.340 -0.000 0.000 0.271 976 L C 0.187 177.109 176.870 0.087 0.000 1.107 976 L CA -0.423 54.362 54.840 -0.090 0.000 0.806 976 L CB 0.747 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 1.360 120.513 119.070 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.763 174.628 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.376 31.151 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.468 126.279 122.820 -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 -0.146 51.703 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 0.572 120.674 120.200 -0.163 0.000 2.292 979 E HA 0.150 4.499 4.350 -0.000 0.000 0.258 979 E C 0.624 177.205 176.600 -0.031 0.000 1.115 979 E CA -0.705 55.708 56.400 0.022 0.000 0.929 979 E CB 0.724 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 0.331 120.520 120.200 -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 1.776 58.136 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 4.224 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 -0.000 0.000 0.187 981 G C -0.692 174.098 174.900 -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 0.487 114.929 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.487 173.065 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.494 70.395 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.225 124.441 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 -0.000 0.000 0.311 983 W C -0.331 176.074 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.529 57.345 -0.143 0.000 1.199 983 W CB 0.829 30.214 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.622 126.906 121.223 0.102 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.158 175.643 176.870 -0.115 0.000 0.988 984 L CA -0.571 54.199 54.840 -0.117 0.000 0.824 984 L CB 1.064 42.919 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.967 125.582 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.187 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.670 53.050 -0.160 0.000 0.903 985 N CB 2.365 40.776 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.754 122.159 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.640 175.313 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.470 39.132 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.528 124.803 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 987 D C 0.988 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.624 54.000 -0.296 0.000 0.838 987 D CB 2.485 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 1.118 109.374 108.800 -0.906 0.000 2.430 988 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 988 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 988 G C 0.042 174.075 174.900 -1.444 0.000 1.146 988 G CA 0.468 44.751 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.804 117.952 119.950 -0.323 0.000 2.641 989 F HA 0.530 5.057 4.527 -0.000 0.000 0.308 989 F C -0.729 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.246 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.728 121.830 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.072 174.288 175.328 0.053 0.000 1.085 990 H CA -0.755 55.289 56.048 -0.007 0.000 1.253 990 H CB 2.366 32.104 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.939 122.490 119.600 -0.083 0.000 2.240 991 M HA 0.283 4.763 4.480 -0.000 0.000 0.317 991 M C 0.405 176.823 176.300 0.197 0.000 1.087 991 M CA 0.548 55.873 55.300 0.042 0.000 1.176 991 M CB 0.403 32.926 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.273 111.165 108.800 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 -0.039 0.000 1.237 992 G CA -0.289 44.830 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.589 117.905 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.134 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.623 110.370 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.575 175.466 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.020 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.401 106.408 108.800 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 1.291 121.755 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 -0.000 0.000 0.199 996 D C 0.948 177.274 176.300 0.043 0.000 0.997 996 D CA 2.178 56.292 54.000 0.190 0.000 0.863 996 D CB 0.092 41.015 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.761 116.466 120.400 -0.288 0.000 2.653 997 D HA 0.282 4.922 4.640 -0.000 0.000 0.258 997 D C -0.796 174.997 176.300 -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 -0.303 114.717 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.483 174.198 174.600 0.135 0.000 1.001 998 S CA -0.654 57.428 58.200 -0.198 0.000 0.984 998 S CB -0.524 62.834 63.200 0.263 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.234 122.477 121.300 -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 -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.184 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 0.629 5.099 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -0.112 0.000 1.157 1000 S CA -1.559 56.563 58.200 -0.130 0.000 0.824 1000 S CB 1.639 64.763 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 0.289 177.620 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.894 63.100 0.021 0.000 0.764 1001 P CB 0.804 32.439 31.700 -0.109 0.000 0.825 1002 S N 0.775 116.533 115.700 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 -0.307 57.934 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 4.306 124.338 119.914 0.197 0.000 2.455 1003 V HA 0.396 4.516 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.023 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.693 32.591 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.451 120.339 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 1004 S C 1.472 176.221 174.600 0.249 0.000 1.339 1004 S CA -0.068 58.300 58.200 0.281 0.000 1.028 1004 S CB 1.449 64.782 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.041 124.951 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.218 54.317 52.037 0.103 0.000 0.647 1005 A CB -1.358 17.681 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.904 119.195 120.200 -0.168 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.842 177.057 176.600 -0.641 0.000 1.008 1006 E CA 1.183 57.312 56.400 -0.453 0.000 0.843 1006 E CB -0.405 28.830 29.700 -0.774 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.691 120.690 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.484 176.322 175.800 0.064 0.000 1.097 1007 F CA -0.409 57.639 58.000 0.079 0.000 1.294 1007 F CB 0.243 39.290 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 0.421 4.761 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 -0.598 55.296 55.803 0.151 0.000 0.899 1008 Q CB 2.027 30.947 28.738 0.303 0.000 1.250 1008 Q HN 0.263 nan 8.270 nan 0.000 0.441 1009 L N 2.407 123.638 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 -0.000 0.000 0.258 1009 L C 0.691 177.460 176.870 -0.168 0.000 1.266 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.391 41.535 42.059 -0.221 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.083 114.460 115.700 -0.263 0.000 2.539 1010 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 1010 S C 1.726 176.229 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.051 58.200 -0.554 0.000 0.929 1010 S CB 0.697 63.597 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 2.167 179.614 177.584 -0.229 0.000 1.164 1011 A CA 1.472 53.335 52.037 -0.289 0.000 0.644 1011 A CB -1.338 17.191 19.000 -0.785 0.000 0.805 1011 A HN 1.508 nan 8.150 nan 0.000 0.449 1012 G N -1.600 107.183 108.800 -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 0.432 175.343 174.900 0.019 0.000 1.103 1012 G CA 0.445 45.568 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.761 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.022 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 0.157 120.468 120.300 0.020 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.400 175.699 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.204 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 2.267 121.658 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.750 173.952 175.328 0.623 0.000 1.132 1015 H CA -1.000 55.322 56.048 0.457 0.000 1.180 1015 H CB 1.411 31.327 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.084 121.091 120.300 -0.489 0.000 2.624 1016 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 1016 Y C -1.993 173.702 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.290 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 3.077 122.834 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.812 174.240 176.000 0.087 0.000 1.085 1017 Q CA -1.125 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.709 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.797 122.059 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.367 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.862 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.821 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.652 121.701 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.028 175.246 176.094 0.300 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.106 34.046 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