REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jyz_1_P 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 0.808 175.558 174.700 0.083 0.000 1.131 4 T CA 1.211 63.337 62.100 0.044 0.000 1.074 4 T CB -0.563 68.329 68.868 0.040 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.292 122.793 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 0.000 0.000 0.220 5 D C 0.828 177.328 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.020 41.063 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.128 115.916 115.700 0.147 0.000 2.548 6 S HA 0.086 4.556 4.470 0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.188 64.405 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.061 125.309 121.223 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 2.630 57.501 54.840 0.050 0.000 0.763 7 L CB -1.801 40.245 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.440 121.384 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.003 0.000 1.182 8 A CA 2.507 54.547 52.037 0.005 0.000 0.649 8 A CB -1.100 17.900 19.000 -0.001 0.000 0.818 8 A HN 0.282 nan 8.150 nan 0.000 0.458 9 V N -1.013 118.892 119.914 -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 63.937 62.300 -0.047 0.000 1.027 9 V CB -0.183 31.617 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.843 120.672 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 0.000 0.000 0.248 10 V C 2.269 178.258 176.094 -0.174 0.000 1.054 10 V CA 2.412 64.522 62.300 -0.316 0.000 1.015 10 V CB -0.775 30.809 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 -0.155 4.185 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 0.926 55.889 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 2.217 122.020 119.800 0.005 0.000 2.030 12 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 12 Q C 2.240 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.103 57.890 55.803 -0.028 0.000 0.843 12 Q CB -0.112 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 0.323 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.907 56.897 56.100 -0.183 0.000 0.975 13 R CB -0.455 29.743 30.300 -0.170 0.000 0.866 13 R HN 0.107 nan 8.270 nan 0.000 0.446 14 R N 1.001 121.210 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.199 4.340 0.000 0.000 0.252 14 R C -0.557 175.217 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.476 28.210 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 -0.190 4.450 4.640 0.000 0.000 0.204 15 D C 1.608 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.640 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.270 40.800 -0.685 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 0.115 4.775 4.660 0.000 0.000 0.241 16 W C 0.491 177.123 176.519 0.189 0.000 1.316 16 W CA -0.111 57.369 57.345 0.224 0.000 1.520 16 W CB -0.197 29.423 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.941 120.972 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.828 175.663 176.600 -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 0.108 nan 8.360 nan 0.000 0.463 18 N N 1.213 119.826 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 0.000 0.000 0.280 18 N C -2.252 173.144 175.510 -0.191 0.000 1.156 18 N CA -1.869 51.063 53.050 -0.196 0.000 0.831 18 N CB 1.459 39.836 38.487 -0.184 0.000 1.379 18 N HN -0.233 nan 8.380 nan 0.000 0.536 19 P HA -0.044 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -0.370 0.000 1.144 19 P CA 1.046 63.833 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 -0.587 108.034 108.800 -0.298 0.000 2.484 20 G HA2 0.002 3.962 3.960 0.000 0.000 0.218 20 G HA3 0.002 3.962 3.960 0.000 0.000 0.218 20 G C 0.349 175.181 174.900 -0.113 0.000 1.130 20 G CA 0.211 45.188 45.100 -0.204 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.128 120.997 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 0.000 0.000 0.288 21 V C 0.864 177.024 176.094 0.110 0.000 1.016 21 V CA 0.187 62.501 62.300 0.022 0.000 0.840 21 V CB 1.354 33.192 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.864 115.467 114.554 0.083 0.000 2.975 22 T HA 0.350 4.700 4.350 0.000 0.000 0.257 22 T C 0.220 174.927 174.700 0.011 0.000 1.003 22 T CA 0.299 62.432 62.100 0.056 0.000 0.932 22 T CB 0.389 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 0.129 119.985 119.800 0.094 0.000 2.756 23 Q HA 0.709 5.049 4.340 0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.789 29.508 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.529 123.904 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 0.000 0.000 0.267 24 L C -0.831 176.210 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.419 43.784 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.165 119.982 118.700 0.195 0.000 2.753 25 N HA -0.237 4.503 4.740 0.000 0.000 0.251 25 N C 0.526 176.110 175.510 0.123 0.000 1.097 25 N CA 0.845 54.001 53.050 0.176 0.000 0.786 25 N CB -0.671 37.918 38.487 0.169 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.159 121.606 120.500 -0.089 0.000 2.490 26 R HA 0.379 4.719 4.340 0.000 0.000 0.280 26 R C 0.725 176.844 176.300 -0.301 0.000 1.077 26 R CA -0.364 55.390 56.100 -0.575 0.000 1.065 26 R CB 0.572 30.546 30.300 -0.542 0.000 1.003 26 R HN 0.114 nan 8.270 nan 0.000 0.470 27 L N 2.515 123.549 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 0.000 0.000 0.243 27 L C 0.655 177.479 176.870 -0.076 0.000 1.227 27 L CA -0.602 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.391 42.422 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.364 123.189 122.820 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 1.188 124.022 122.820 0.023 0.000 2.406 29 A HA 0.652 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 52.730 52.037 -0.076 0.000 0.786 29 A CB -0.176 18.757 19.000 -0.111 0.000 1.029 29 A HN 2.071 nan 8.150 nan 0.000 0.495 30 H N -2.572 116.430 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.097 4.556 0.000 0.000 0.266 30 H C -3.422 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.443 54.502 56.048 -0.170 0.000 1.179 30 H CB -0.051 29.639 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.566 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 0.104 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.495 177.300 -0.031 0.000 1.199 32 P CA 0.879 63.871 63.100 -0.180 0.000 0.763 32 P CB -0.206 31.481 31.700 -0.022 0.000 0.790 33 F N 1.423 121.494 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 0.000 0.000 0.327 33 F C 1.203 176.972 175.800 -0.053 0.000 1.068 33 F CA -0.946 57.116 58.000 0.104 0.000 0.965 33 F CB 1.920 40.941 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.247 123.076 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 0.000 0.000 0.200 34 A C 0.821 178.172 177.584 -0.388 0.000 1.428 34 A CA 0.539 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.070 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 -0.033 174.538 174.600 -0.050 0.000 1.045 35 S CA 0.381 58.511 58.200 -0.117 0.000 1.051 35 S CB -1.755 61.341 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.627 121.931 121.300 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 1.435 122.090 120.500 0.259 0.000 2.509 37 R HA 0.074 4.414 4.340 0.000 0.000 0.300 37 R C -0.060 176.323 176.300 0.138 0.000 0.985 37 R CA -0.134 56.057 56.100 0.151 0.000 1.092 37 R CB -0.433 29.928 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.255 118.549 118.700 0.173 0.000 2.336 38 N HA 0.004 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 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.016 118.687 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.337 59.460 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.762 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.331 121.413 120.200 -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 -0.289 0.000 1.022 40 E CA 1.773 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 0.168 120.228 120.200 -0.233 0.000 2.023 41 E HA -0.187 4.163 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 1.158 57.418 56.400 -0.233 0.000 0.809 41 E CB -0.207 29.550 29.700 0.095 0.000 0.755 41 E HN 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.620 123.580 122.820 -1.433 0.000 1.917 42 A HA -0.279 4.041 4.320 0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.019 52.652 52.037 -2.341 0.000 0.633 42 A CB -0.643 17.510 19.000 -1.412 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 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 0.000 0.000 0.238 43 R C 1.553 177.600 176.300 -0.422 0.000 1.136 43 R CA 2.088 57.862 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.203 112.136 114.554 -0.358 0.000 3.244 44 T HA 0.107 4.457 4.350 0.000 0.000 0.254 44 T C -0.004 174.629 174.700 -0.112 0.000 1.024 44 T CA 0.153 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.141 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 1.658 121.959 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 0.000 0.000 0.235 45 D C 0.465 176.901 176.300 0.226 0.000 1.160 45 D CA 0.418 54.460 54.000 0.071 0.000 0.645 45 D CB -0.451 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.244 120.408 120.500 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 29.687 30.300 0.229 0.000 1.126 46 R HN 0.174 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.077 0.000 1.365 47 P CA -0.489 62.710 63.100 0.164 0.000 0.935 47 P CB 1.804 33.569 31.700 0.109 0.000 1.091 48 S N 1.952 117.551 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 0.000 0.000 0.278 48 S C 1.092 175.655 174.600 -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 2.730 122.548 119.800 0.030 0.000 2.425 49 Q HA 0.012 4.352 4.340 0.000 0.000 0.204 49 Q C 0.792 176.941 176.000 0.248 0.000 0.933 49 Q CA 0.311 56.194 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.435 120.302 119.800 0.111 0.000 2.444 50 Q HA 0.165 4.505 4.340 0.000 0.000 0.206 50 Q C -0.018 176.039 176.000 0.094 0.000 0.948 50 Q CA 0.040 55.891 55.803 0.081 0.000 0.946 50 Q CB -0.035 28.644 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.239 122.528 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 0.000 0.000 0.281 51 L C -1.057 175.899 176.870 0.144 0.000 1.004 51 L CA -0.465 54.429 54.840 0.091 0.000 0.823 51 L CB 1.445 43.482 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.645 123.248 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 0.000 0.000 0.293 52 R C -1.014 175.321 176.300 0.058 0.000 0.983 52 R CA -0.482 55.686 56.100 0.113 0.000 0.887 52 R CB 2.219 32.591 30.300 0.120 0.000 1.184 52 R HN 0.709 nan 8.270 nan 0.000 0.445 53 S N 3.236 118.961 115.700 0.042 0.000 2.562 53 S HA 0.302 4.772 4.470 0.000 0.000 0.275 53 S C 0.870 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.582 63.814 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.415 124.681 121.223 0.071 0.000 2.857 54 L HA 0.288 4.628 4.340 0.000 0.000 0.249 54 L C 0.030 177.120 176.870 0.367 0.000 1.172 54 L CA -0.321 54.600 54.840 0.135 0.000 0.980 54 L CB -0.463 41.657 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.652 120.489 118.700 0.229 0.000 2.518 55 N HA 0.493 5.233 4.740 0.000 0.000 0.266 55 N C 0.657 176.326 175.510 0.264 0.000 1.196 55 N CA 0.736 53.923 53.050 0.228 0.000 0.947 55 N CB 1.775 40.318 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.537 109.528 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.424 0.000 1.318 56 G CA -0.792 44.477 45.100 0.283 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.321 120.074 120.200 0.325 0.000 2.316 57 E HA 0.497 4.846 4.350 0.000 0.000 0.275 57 E C -0.946 175.917 176.600 0.439 0.000 1.029 57 E CA 0.059 56.651 56.400 0.320 0.000 0.871 57 E CB 0.662 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 1.584 122.959 121.300 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 56.754 57.345 0.167 0.000 1.105 58 W CB 0.949 30.554 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 -1.536 174.948 176.300 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 1.376 121.321 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 0.000 0.000 0.320 60 F C -1.287 174.377 175.800 -0.227 0.000 1.076 60 F CA -0.682 57.172 58.000 -0.243 0.000 0.928 60 F CB 2.043 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 4.283 126.172 122.820 -1.552 0.000 2.517 61 A HA 0.519 4.839 4.320 0.000 0.000 0.297 61 A C -2.440 174.300 177.584 -1.406 0.000 1.050 61 A CA -0.521 50.837 52.037 -1.133 0.000 0.694 61 A CB 0.468 19.199 19.000 -0.448 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.503 123.065 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 0.000 0.000 0.332 62 W C -1.983 174.083 176.519 -0.755 0.000 1.052 62 W CA -0.554 56.265 57.345 -0.876 0.000 1.223 62 W CB 1.320 30.450 29.460 -0.551 0.000 1.383 62 W HN 0.501 nan 8.180 nan 0.000 0.524 63 F N 5.545 124.891 119.950 -1.007 0.000 2.591 63 F HA 0.329 4.856 4.527 0.000 0.000 0.309 63 F C -1.416 173.560 175.800 -1.374 0.000 1.098 63 F CA -2.566 54.969 58.000 -0.775 0.000 0.937 63 F CB 1.546 40.238 39.000 -0.513 0.000 1.250 63 F HN 0.187 nan 8.300 nan 0.000 0.447 64 P HA 0.019 nan 4.420 nan 0.000 0.225 64 P C -0.179 177.023 177.300 -0.162 0.000 1.148 64 P CA 1.146 64.071 63.100 -0.292 0.000 0.779 64 P CB 0.551 32.327 31.700 0.127 0.000 0.780 65 A N -1.286 121.444 122.820 -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 -1.075 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 1.863 64.807 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.746 120.903 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 0.000 0.000 0.197 67 E C 1.819 178.384 176.600 -0.059 0.000 0.997 67 E CA 1.578 57.964 56.400 -0.025 0.000 0.810 67 E CB -1.230 28.492 29.700 0.037 0.000 0.738 67 E HN 0.220 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 1.111 178.592 177.584 -0.173 0.000 1.193 68 A CA -0.001 52.025 52.037 -0.018 0.000 0.794 68 A CB -0.220 18.854 19.000 0.124 0.000 0.794 68 A HN 0.056 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 -2.373 173.558 176.094 -0.272 0.000 1.066 69 V CA -1.360 60.550 62.300 -0.649 0.000 1.052 69 V CB 1.048 32.305 31.823 -0.944 0.000 1.021 69 V HN 0.264 nan 8.190 nan 0.000 0.480 70 P HA 0.438 nan 4.420 nan 0.000 0.306 70 P C 0.175 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.477 63.100 -0.041 0.000 0.915 70 P CB 1.796 33.514 31.700 0.031 0.000 1.013 71 E N 1.443 121.627 120.200 -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 2.141 58.509 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 -0.786 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 2.642 123.858 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 0.000 0.000 0.304 73 W C 1.640 178.048 176.519 -0.186 0.000 1.228 73 W CA 1.134 58.386 57.345 -0.156 0.000 1.241 73 W CB -0.685 28.649 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.039 120.970 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.457 0.000 1.083 74 L CA 1.537 55.963 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 -0.279 0.000 2.079 75 E HA 0.068 4.418 4.350 0.000 0.000 0.191 75 E C 0.353 176.864 176.600 -0.147 0.000 0.961 75 E CA 0.449 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 0.317 nan 8.360 nan 0.000 0.459 76 C N 1.919 121.149 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 0.000 0.000 0.319 76 C C 0.195 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.565 29.293 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.274 121.683 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 0.000 0.000 0.238 77 D C -0.125 176.250 176.300 0.125 0.000 1.180 77 D CA 0.443 54.500 54.000 0.096 0.000 0.895 77 D CB 0.671 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.463 123.787 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 0.000 0.000 0.262 78 L C -1.198 175.714 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.119 0.000 0.801 78 L CB 0.636 42.770 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 28.918 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.261 124.086 122.820 0.009 0.000 2.445 81 A HA 0.135 4.455 4.320 0.000 0.000 0.242 81 A C -0.033 177.581 177.584 0.051 0.000 1.075 81 A CA -0.235 51.809 52.037 0.013 0.000 0.777 81 A CB 0.373 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 0.204 120.656 120.400 0.087 0.000 2.326 82 D HA 0.430 5.070 4.640 0.000 0.000 0.248 82 D C -0.669 175.719 176.300 0.148 0.000 1.001 82 D CA -0.068 54.011 54.000 0.132 0.000 0.961 82 D CB 1.636 42.570 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.911 115.538 114.554 0.122 0.000 2.767 83 T HA 0.450 4.800 4.350 0.000 0.000 0.284 83 T C -0.089 174.683 174.700 0.119 0.000 0.973 83 T CA -0.424 61.754 62.100 0.131 0.000 0.996 83 T CB 1.044 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 3.419 123.431 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 0.000 0.000 0.312 84 V C -0.321 175.876 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.436 34.309 31.823 0.083 0.000 1.042 84 V HN 0.634 nan 8.190 nan 0.000 0.433 85 V N 2.372 122.359 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.080 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.564 33.436 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.783 126.691 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 0.000 0.000 0.305 86 V C -2.274 173.739 176.094 -0.135 0.000 1.043 86 V CA -1.737 60.440 62.300 -0.205 0.000 0.888 86 V CB 2.689 34.062 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.579 nan 4.420 nan 0.000 0.278 87 P C -0.969 176.284 177.300 -0.079 0.000 1.258 87 P CA -0.282 62.726 63.100 -0.152 0.000 0.811 87 P CB 1.520 33.136 31.700 -0.141 0.000 1.063 88 S N -0.346 115.328 115.700 -0.043 0.000 2.643 88 S HA 0.392 4.862 4.470 0.000 0.000 0.266 88 S C -1.485 173.084 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.126 63.314 63.200 -0.020 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.140 119.730 118.700 -0.183 0.000 2.444 89 N HA 0.423 5.163 4.740 0.000 0.000 0.262 89 N C 0.526 175.896 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.160 53.050 -0.225 0.000 0.933 89 N CB 0.714 39.025 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.064 124.239 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.491 4.660 0.000 0.000 0.289 90 W C 0.947 177.458 176.519 -0.013 0.000 1.215 90 W CA 1.141 58.370 57.345 -0.192 0.000 1.236 90 W CB -0.440 28.825 29.460 -0.324 0.000 1.130 90 W HN 0.497 nan 8.180 nan 0.000 0.541 91 Q N 0.246 120.058 119.800 0.021 0.000 2.291 91 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 91 Q C 2.053 178.035 176.000 -0.029 0.000 0.976 91 Q CA 1.675 57.505 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 0.242 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 0.413 176.685 176.300 -0.046 0.000 1.092 92 M CA 1.243 56.429 55.300 -0.190 0.000 1.087 92 M CB -0.530 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.335 nan 8.290 nan 0.000 0.509 93 H N -1.357 117.786 119.070 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 56.191 56.048 0.089 0.000 1.150 93 H CB 0.467 30.428 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.624 109.464 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 0.000 0.000 0.260 94 G C 0.520 175.330 174.900 -0.150 0.000 0.977 94 G CA 0.607 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 1.813 122.149 120.300 0.060 0.000 2.207 95 Y HA 0.196 4.746 4.550 0.000 0.000 0.287 95 Y C 1.722 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.640 59.648 58.100 -0.153 0.000 1.182 95 Y CB -0.073 38.306 38.460 -0.134 0.000 0.979 95 Y HN 0.664 nan 8.280 nan 0.000 0.521 96 D N -2.430 118.118 120.400 0.246 0.000 2.768 96 D HA 0.512 5.152 4.640 0.000 0.000 0.327 96 D C -1.157 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.377 54.000 0.242 0.000 0.897 96 D CB 0.690 41.798 40.800 0.512 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.347 122.605 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 0.000 0.000 0.284 97 A C -2.412 175.226 177.584 0.091 0.000 1.115 97 A CA -1.133 51.006 52.037 0.169 0.000 0.812 97 A CB 0.093 19.240 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 -0.857 176.577 177.300 0.225 0.000 1.267 98 P CA -0.010 63.029 63.100 -0.101 0.000 0.815 98 P CB 0.887 32.238 31.700 -0.581 0.000 0.989 99 I N 2.233 123.032 120.570 0.381 0.000 2.493 99 I HA 0.344 4.514 4.170 0.000 0.000 0.298 99 I C -0.629 175.708 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.808 39.962 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.333 125.614 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 0.000 0.000 0.331 100 Y C -0.381 175.366 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.297 58.100 -0.465 0.000 1.293 100 Y CB 0.840 38.411 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.958 114.976 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 0.000 0.000 0.290 101 T C 0.203 174.370 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.333 70.941 68.868 -0.434 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.212 118.066 118.700 -0.704 0.000 2.622 102 N HA 0.021 4.761 4.740 0.000 0.000 0.213 102 N C 1.170 176.382 175.510 -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 0.914 120.471 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 0.000 0.000 0.239 103 V C 0.613 176.369 176.094 -0.563 0.000 1.053 103 V CA 0.768 62.639 62.300 -0.715 0.000 1.073 103 V CB -0.091 31.234 31.823 -0.830 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.142 115.437 114.554 -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 0.370 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.299 68.434 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.837 125.026 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 0.000 0.000 0.336 105 Y C -0.939 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.829 56.148 58.100 -0.205 0.000 1.463 105 Y CB 0.428 38.764 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 0.128 177.232 177.300 -0.326 0.000 1.148 106 P CA 1.406 64.385 63.100 -0.201 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.839 115.475 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 0.000 0.000 0.308 107 I C -0.585 175.390 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.979 61.300 -0.442 0.000 1.001 107 I CB 1.504 39.072 38.000 -0.720 0.000 1.245 107 I HN -0.425 nan 8.210 nan 0.000 0.485 108 T N 2.264 116.720 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 0.000 0.000 0.302 108 T C 0.142 174.820 174.700 -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 69.851 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.636 124.553 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 0.000 0.000 0.253 109 V C 0.649 176.813 176.094 0.117 0.000 1.083 109 V CA -0.180 62.158 62.300 0.064 0.000 0.993 109 V CB -0.389 31.457 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.622 124.463 118.700 0.236 0.000 2.679 110 N HA 0.242 4.982 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 -1.244 51.916 53.050 0.183 0.000 0.793 110 N CB 1.477 40.120 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.181 nan 4.420 nan 0.000 0.266 111 P C -2.376 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.715 61.885 63.100 -0.834 0.000 0.768 111 P CB 0.366 31.391 31.700 -1.125 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.681 176.452 177.300 -0.279 0.000 1.737 112 P CA -0.355 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.209 31.252 31.700 -0.398 0.000 1.572 113 F N -0.328 119.737 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 0.000 0.000 0.343 113 F C 1.130 177.113 175.800 0.306 0.000 1.104 113 F CA -0.962 57.166 58.000 0.214 0.000 1.161 113 F CB 1.180 40.252 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.699 123.918 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 0.000 0.000 0.317 114 V C -2.011 174.281 176.094 0.330 0.000 1.070 114 V CA -1.889 60.644 62.300 0.389 0.000 1.008 114 V CB 1.878 34.025 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.807 178.271 177.300 0.274 0.000 1.259 115 P CA -0.048 63.177 63.100 0.209 0.000 0.794 115 P CB 0.911 32.692 31.700 0.136 0.000 0.940 116 T N 0.241 114.919 114.554 0.206 0.000 2.721 116 T HA -0.229 4.121 4.350 0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.414 63.630 62.100 0.193 0.000 1.145 116 T CB -0.815 68.129 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 0.548 63.513 63.100 -0.225 0.000 0.768 119 P CB 0.157 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 0.900 109.426 108.800 -0.456 0.000 2.533 121 G HA2 0.484 4.444 3.960 0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 0.000 0.000 0.310 121 G C -0.336 174.498 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.428 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.175 122.132 119.300 -0.571 0.000 2.281 122 C HA 0.478 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 -1.754 25.040 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.748 122.253 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 0.000 0.000 0.330 123 Y C 0.762 177.113 175.900 0.753 0.000 1.133 123 Y CA -0.457 57.989 58.100 0.576 0.000 1.152 123 Y CB 1.372 40.144 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.853 119.042 115.700 0.816 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 0.481 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 0.909 122.074 121.223 -0.096 0.000 2.565 125 L HA 0.684 5.024 4.340 0.000 0.000 0.261 125 L C -1.513 175.333 176.870 -0.040 0.000 0.932 125 L CA -0.013 54.605 54.840 -0.370 0.000 0.878 125 L CB 2.244 43.492 42.059 -1.352 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.282 119.826 114.554 -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 62.042 62.100 0.047 0.000 0.978 126 T CB 0.561 69.405 68.868 -0.039 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.713 120.582 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 0.000 0.000 0.313 127 F C -0.984 174.758 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.327 40.244 39.000 -0.137 0.000 1.349 127 F HN 0.265 nan 8.300 nan 0.000 0.464 128 N N 0.146 118.796 118.700 -0.082 0.000 2.443 128 N HA 0.708 5.448 4.740 0.000 0.000 0.295 128 N C -1.671 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.592 52.365 53.050 -0.154 0.000 0.919 128 N CB 2.158 40.586 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.356 121.179 119.914 -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 -0.149 0.000 0.873 129 V CB 1.599 33.389 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.913 123.098 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 0.000 0.000 0.238 130 D C 1.177 177.395 176.300 -0.138 0.000 1.142 130 D CA 0.193 54.020 54.000 -0.288 0.000 0.884 130 D CB 1.538 42.085 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.069 121.232 120.200 -0.060 0.000 2.299 131 E HA -0.134 4.216 4.350 0.000 0.000 0.193 131 E C 1.645 178.281 176.600 0.061 0.000 0.998 131 E CA 0.813 57.218 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 1.053 59.317 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 0.523 nan 8.310 nan 0.000 0.466 133 W N 1.470 122.643 121.300 -0.213 0.000 2.402 133 W HA 0.283 4.943 4.660 0.000 0.000 0.286 133 W C 2.225 178.688 176.519 -0.092 0.000 1.221 133 W CA -0.067 57.022 57.345 -0.427 0.000 1.257 133 W CB -0.852 28.366 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.275 121.078 121.223 0.216 0.000 2.291 134 L HA -0.182 4.158 4.340 0.000 0.000 0.214 134 L C 2.292 179.236 176.870 0.124 0.000 1.120 134 L CA 0.968 55.905 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 -0.325 119.543 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 135 Q C 0.891 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.007 28.775 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.330 120.601 120.200 0.119 0.000 2.281 136 E HA 0.438 4.788 4.350 0.000 0.000 0.257 136 E C 0.337 177.035 176.600 0.164 0.000 0.971 136 E CA 0.007 56.472 56.400 0.109 0.000 0.839 136 E CB 1.037 30.785 29.700 0.079 0.000 1.238 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.771 109.586 108.800 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 -0.166 0.000 1.352 137 G CA 0.195 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 -0.645 118.908 119.800 -0.412 0.000 2.356 138 Q HA 0.653 4.993 4.340 0.000 0.000 0.270 138 Q C -1.234 174.625 176.000 -0.236 0.000 1.058 138 Q CA -0.478 55.191 55.803 -0.222 0.000 0.802 138 Q CB 1.915 30.556 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.641 119.206 114.554 0.018 0.000 2.809 139 T HA 0.522 4.872 4.350 0.000 0.000 0.284 139 T C -0.913 173.861 174.700 0.123 0.000 0.992 139 T CA -0.642 61.527 62.100 0.116 0.000 0.957 139 T CB 0.705 69.772 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.365 123.916 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 0.000 0.000 0.271 140 R C -1.312 175.032 176.300 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 2.716 123.318 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 0.000 0.000 0.305 141 I C -0.994 175.044 176.117 -0.133 0.000 0.995 141 I CA -1.448 59.809 61.300 -0.073 0.000 1.148 141 I CB 1.506 39.429 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.591 126.974 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 0.000 0.000 0.287 142 I C -1.292 174.549 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.750 39.675 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.529 124.484 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 0.000 0.000 0.365 143 F C 1.280 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.450 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.837 39.764 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.393 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.051 4.691 4.640 0.000 0.000 0.208 144 D C 0.947 177.103 176.300 -0.240 0.000 0.966 144 D CA 0.904 54.814 54.000 -0.150 0.000 0.864 144 D CB 0.361 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 -0.700 107.882 108.800 -0.362 0.000 2.524 145 G HA2 0.409 4.369 3.960 0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 0.000 0.000 0.306 145 G C -1.580 172.872 174.900 -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 2.456 122.182 119.914 -0.313 0.000 2.524 146 V HA 0.561 4.681 4.120 0.000 0.000 0.297 146 V C -0.760 175.386 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.853 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 2.611 121.409 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 0.000 0.000 0.285 147 N C 0.663 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.045 0.000 0.880 147 N CB 2.421 40.848 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.429 118.105 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 0.000 0.000 0.228 148 S C 0.549 175.215 174.600 0.111 0.000 1.061 148 S CA 0.339 58.569 58.200 0.050 0.000 0.935 148 S CB 0.050 63.295 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 0.000 0.000 0.292 149 A C -1.034 176.707 177.584 0.261 0.000 1.147 149 A CA -0.974 51.134 52.037 0.118 0.000 0.750 149 A CB 1.095 20.185 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.123 118.734 119.950 -0.154 0.000 2.746 150 F HA 0.596 5.123 4.527 0.000 0.000 0.311 150 F C -1.468 174.371 175.800 0.065 0.000 1.135 150 F CA -0.813 57.185 58.000 -0.003 0.000 0.954 150 F CB 0.867 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 1.906 121.148 119.070 0.287 0.000 2.533 151 H HA 0.812 5.368 4.556 0.000 0.000 0.343 151 H C -1.402 174.009 175.328 0.138 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.352 32.286 29.762 0.286 0.000 1.566 151 H HN 0.831 nan 8.280 nan 0.000 0.522 152 L N 2.103 123.230 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 0.000 0.000 0.266 152 L C -1.863 174.679 176.870 -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 4.183 125.446 121.300 -0.061 0.000 2.936 153 W HA 0.631 5.291 4.660 0.000 0.000 0.338 153 W C -1.235 175.210 176.519 -0.122 0.000 1.121 153 W CA -0.779 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.103 31.525 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.974 124.342 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 0.000 0.000 0.329 154 C C 0.092 175.179 174.990 0.162 0.000 1.166 154 C CA -0.387 58.680 59.018 0.081 0.000 1.341 154 C CB -0.410 27.297 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.724 122.487 118.700 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 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.301 37.228 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.326 107.515 108.800 0.068 0.000 2.234 156 G HA2 -0.383 3.577 3.960 0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 0.000 0.000 0.260 156 G C 0.229 175.290 174.900 0.267 0.000 0.987 156 G CA 0.666 45.801 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.871 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 0.000 0.000 0.311 157 R C -0.068 176.533 176.300 0.501 0.000 1.004 157 R CA -0.879 55.522 56.100 0.503 0.000 0.902 157 R CB 0.672 31.300 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.998 125.451 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.059 57.148 57.345 -0.427 0.000 1.234 158 W CB 0.627 29.883 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.956 123.820 119.914 -1.750 0.000 2.948 159 V HA 0.578 4.698 4.120 0.000 0.000 0.234 159 V C 0.940 175.927 176.094 -1.846 0.000 1.205 159 V CA 0.795 62.209 62.300 -1.478 0.000 1.234 159 V CB -0.276 30.822 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.697 105.906 108.800 -1.995 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 -2.504 172.198 174.900 -0.331 0.000 1.320 160 G CA -0.327 44.140 45.100 -1.054 0.000 0.800 160 G HN -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.657 119.593 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.289 4.550 0.000 0.000 0.343 161 Y C -0.045 175.725 175.900 -0.218 0.000 1.065 161 Y CA -0.260 57.678 58.100 -0.270 0.000 1.038 161 Y CB 2.331 40.727 38.460 -0.108 0.000 1.297 161 Y HN 1.193 nan 8.280 nan 0.000 0.467 162 G N 3.319 111.360 108.800 -1.266 0.000 2.742 162 G HA2 0.569 4.529 3.960 0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.906 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.084 119.517 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 0.000 0.000 0.286 163 Q C -1.359 174.637 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.781 31.482 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.359 120.400 0.058 0.000 4.150 164 D HA -0.097 4.543 4.640 0.000 0.000 0.231 164 D C -0.203 176.160 176.300 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 3.080 118.857 115.700 0.127 0.000 2.465 165 S HA -0.160 4.310 4.470 0.000 0.000 0.241 165 S C 1.602 176.325 174.600 0.205 0.000 1.000 165 S CA 0.717 59.020 58.200 0.172 0.000 0.964 165 S CB 0.127 63.416 63.200 0.148 0.000 0.763 165 S HN 0.569 nan 8.310 nan 0.000 0.512 166 R N 0.233 120.822 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 0.000 0.000 0.227 166 R C 0.057 176.419 176.300 0.102 0.000 0.905 166 R CA 0.045 56.233 56.100 0.148 0.000 1.067 166 R CB -0.373 30.028 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.277 122.537 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.439 52.411 54.840 0.016 0.000 0.821 167 L CB 1.961 44.021 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.144 176.144 177.300 -0.020 0.000 1.215 168 P CA -0.221 62.850 63.100 -0.048 0.000 0.780 168 P CB 0.796 32.429 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 4.832 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 64.333 63.200 0.311 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.905 121.929 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 0.000 0.000 0.267 170 E C -1.505 174.797 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.656 56.400 -0.209 0.000 0.769 170 E CB 1.690 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.334 120.302 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 0.000 0.000 0.311 171 F C -0.185 175.617 175.800 0.004 0.000 1.094 171 F CA -1.201 56.801 58.000 0.003 0.000 0.923 171 F CB 1.357 40.334 39.000 -0.037 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.425 122.960 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.285 54.388 54.000 0.172 0.000 0.870 172 D CB 1.005 41.894 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.860 121.223 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 1.870 176.578 174.600 0.181 0.000 1.104 174 S CA 2.054 60.379 58.200 0.208 0.000 1.130 174 S CB -0.279 63.001 63.200 0.134 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.827 122.101 122.820 0.179 0.000 2.251 175 A HA 0.370 4.690 4.320 0.000 0.000 0.209 175 A C 0.979 178.422 177.584 -0.235 0.000 1.187 175 A CA 0.236 52.219 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.548 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.962 119.022 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 0.000 0.000 0.313 176 F C 0.285 176.114 175.800 0.048 0.000 1.096 176 F CA -0.682 57.349 58.000 0.051 0.000 1.219 176 F CB -0.053 38.979 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.905 123.276 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 0.000 0.000 0.275 177 L C 0.320 177.235 176.870 0.074 0.000 1.099 177 L CA -0.447 54.485 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 1.585 122.093 120.500 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 1.719 31.994 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.828 123.627 122.820 -0.034 0.000 2.407 179 A HA 0.541 4.861 4.320 0.000 0.000 0.248 179 A C 0.938 178.472 177.584 -0.084 0.000 1.082 179 A CA 0.776 52.784 52.037 -0.048 0.000 0.785 179 A CB -0.047 18.934 19.000 -0.031 0.000 1.020 179 A HN 0.894 nan 8.150 nan 0.000 0.489 180 G N 0.791 109.528 108.800 -0.105 0.000 2.536 180 G HA2 -0.213 3.747 3.960 0.000 0.000 0.277 180 G HA3 -0.213 3.747 3.960 0.000 0.000 0.277 180 G C 0.060 174.843 174.900 -0.196 0.000 1.155 180 G CA 0.355 45.379 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.360 122.447 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 0.000 0.000 0.278 181 E C -0.060 176.344 176.600 -0.327 0.000 1.049 181 E CA -0.048 56.202 56.400 -0.250 0.000 0.876 181 E CB 0.195 29.796 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.058 121.405 118.700 -0.588 0.000 2.321 182 N HA 0.414 5.154 4.740 0.000 0.000 0.290 182 N C -0.844 174.347 175.510 -0.532 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 1.430 121.812 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 0.000 0.000 0.293 183 R C -1.333 175.035 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.303 31.562 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.902 124.249 121.223 0.208 0.000 2.309 184 L HA 0.657 4.997 4.340 0.000 0.000 0.282 184 L C -0.204 176.756 176.870 0.151 0.000 1.036 184 L CA -0.765 54.199 54.840 0.207 0.000 0.806 184 L CB 1.879 44.079 42.059 0.235 0.000 1.220 184 L HN 0.690 nan 8.230 nan 0.000 0.429 185 A N 3.780 126.695 122.820 0.157 0.000 2.410 185 A HA 0.676 4.995 4.320 0.000 0.000 0.289 185 A C -0.898 177.001 177.584 0.526 0.000 1.200 185 A CA -0.439 51.633 52.037 0.058 0.000 0.751 185 A CB 1.190 19.622 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.319 123.693 119.914 0.767 0.000 2.357 186 V HA 0.479 4.599 4.120 0.000 0.000 0.284 186 V C 0.121 176.691 176.094 0.794 0.000 1.018 186 V CA -0.320 62.406 62.300 0.710 0.000 0.841 186 V CB 1.251 33.292 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.283 126.363 119.600 0.800 0.000 2.088 187 M HA 0.601 5.081 4.480 0.000 0.000 0.346 187 M C -1.437 175.105 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.235 34.163 32.600 0.545 0.000 1.568 187 M HN 0.469 nan 8.290 nan 0.000 0.445 188 V N 6.725 126.812 119.914 0.288 0.000 2.472 188 V HA 0.528 4.648 4.120 0.000 0.000 0.290 188 V C -0.182 176.049 176.094 0.229 0.000 1.037 188 V CA -0.768 61.695 62.300 0.272 0.000 0.908 188 V CB 1.628 33.615 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.811 124.123 121.223 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 1.556 121.912 120.500 -0.241 0.000 2.082 190 R HA 0.004 4.344 4.340 0.000 0.000 0.228 190 R C -0.211 175.691 176.300 -0.663 0.000 1.140 190 R CA 1.771 57.427 56.100 -0.740 0.000 0.920 190 R CB 0.012 29.536 30.300 -1.293 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.364 121.723 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 0.000 0.000 0.336 191 W C 0.142 176.780 176.519 0.197 0.000 1.160 191 W CA -0.693 56.723 57.345 0.117 0.000 1.266 191 W CB 1.061 30.591 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.171 114.822 115.700 0.489 0.000 2.636 192 S HA 0.161 4.631 4.470 0.000 0.000 0.268 192 S C 0.018 174.879 174.600 0.435 0.000 1.159 192 S CA -0.489 58.007 58.200 0.492 0.000 0.815 192 S CB 1.130 64.580 63.200 0.416 0.000 1.130 192 S HN 0.631 nan 8.310 nan 0.000 0.471 193 D N 0.798 121.449 120.400 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 1.305 55.581 54.000 0.460 0.000 0.842 193 D CB -0.837 40.118 40.800 0.258 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.200 109.210 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.050 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 0.039 115.908 115.700 0.283 0.000 2.383 195 S HA -0.146 4.324 4.470 0.000 0.000 0.229 195 S C 1.969 176.682 174.600 0.188 0.000 1.030 195 S CA 1.132 59.469 58.200 0.227 0.000 1.002 195 S CB -0.486 62.852 63.200 0.229 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.260 121.657 120.300 0.163 0.000 2.384 196 Y HA -0.010 4.540 4.550 0.000 0.000 0.289 196 Y C 1.610 177.603 175.900 0.155 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.286 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 -0.048 121.363 121.223 0.313 0.000 2.700 197 L HA 0.125 4.465 4.340 0.000 0.000 0.234 197 L C -0.070 176.937 176.870 0.229 0.000 1.156 197 L CA 0.367 55.349 54.840 0.235 0.000 0.946 197 L CB 0.003 42.196 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.406 119.948 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 0.000 0.000 0.216 198 E C -0.468 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 30.336 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.292 121.771 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -0.013 0.000 1.192 199 D CA -0.042 53.925 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 0.078 nan 8.370 nan 0.000 0.490 200 Q N 0.561 120.441 119.800 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 0.231 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 3.422 123.926 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 0.000 0.000 0.243 201 D C -0.666 175.753 176.300 0.198 0.000 1.257 201 D CA 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.521 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.433 120.109 119.600 0.127 0.000 3.008 202 M HA 0.459 4.939 4.480 0.000 0.000 0.271 202 M C -1.278 175.112 176.300 0.151 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.059 33.630 32.600 -0.049 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.991 123.362 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 0.000 0.000 0.326 203 W C 0.126 176.654 176.519 0.015 0.000 1.319 203 W CA -0.211 57.193 57.345 0.099 0.000 1.213 203 W CB 0.531 29.992 29.460 0.001 0.000 1.171 203 W HN 0.274 nan 8.180 nan 0.000 0.557 204 R N 4.971 125.653 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 0.000 0.000 0.340 204 R C -0.130 176.204 176.300 0.057 0.000 1.043 204 R CA -0.183 56.020 56.100 0.172 0.000 0.883 204 R CB 0.244 30.691 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.269 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 0.000 0.000 0.280 205 M C -0.242 175.753 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.184 34.584 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.306 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 0.000 0.000 0.270 206 S C -0.644 173.515 174.600 -0.735 0.000 1.131 206 S CA -0.307 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.504 64.038 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.102 108.680 108.800 -0.370 0.000 2.316 207 G HA2 0.187 4.147 3.960 0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 0.000 0.000 0.349 207 G C -1.556 173.306 174.900 -0.062 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.113 122.525 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 0.000 0.000 0.286 208 I C 1.003 176.990 176.117 -0.217 0.000 1.107 208 I CA -0.308 60.742 61.300 -0.416 0.000 1.219 208 I CB -0.060 37.483 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.718 123.526 119.950 -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 -0.517 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.075 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.718 120.807 120.500 -0.685 0.000 2.867 210 R HA 0.226 4.566 4.340 0.000 0.000 0.268 210 R C -0.890 175.261 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.061 31.048 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.124 0.000 2.515 211 D HA 0.072 4.712 4.640 0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.533 54.489 54.000 -0.073 0.000 0.875 211 D CB 0.429 41.218 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.778 120.662 119.914 -0.050 0.000 2.588 212 V HA 0.640 4.760 4.120 0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.586 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.771 33.615 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.416 120.027 115.700 -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 -0.942 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.959 65.142 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.323 122.566 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 0.000 0.000 0.271 214 L C -1.637 175.342 176.870 0.182 0.000 0.993 214 L CA -0.797 54.123 54.840 0.134 0.000 0.819 214 L CB 1.832 44.057 42.059 0.277 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 -0.956 175.814 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.582 54.840 -0.006 0.000 0.824 215 L CB 1.590 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 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 0.000 0.000 0.308 216 H C -1.113 173.927 175.328 -0.480 0.000 1.040 216 H CA -0.127 55.430 56.048 -0.818 0.000 1.231 216 H CB 0.781 29.471 29.762 -1.787 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.598 125.504 120.400 -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 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.835 34.106 32.500 -0.382 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 -1.993 112.463 114.554 -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 -0.152 0.000 0.948 220 T CB 0.851 69.633 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.273 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 0.000 0.000 0.298 221 Q C -1.087 174.789 176.000 -0.207 0.000 1.023 221 Q CA -1.194 54.484 55.803 -0.209 0.000 0.768 221 Q CB 1.333 29.912 28.738 -0.265 0.000 1.500 221 Q HN 0.433 nan 8.270 nan 0.000 0.441 222 I N 2.747 123.173 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 0.000 0.000 0.287 222 I C 0.984 176.900 176.117 -0.334 0.000 1.104 222 I CA 0.164 61.333 61.300 -0.219 0.000 1.387 222 I CB 0.967 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 3.138 118.755 115.700 -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 0.176 0.000 1.011 223 S CA -0.097 58.053 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.601 119.952 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 0.000 0.000 0.244 224 D C -1.704 174.787 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.990 41.919 40.800 0.216 0.000 1.379 224 D HN 0.255 nan 8.370 nan 0.000 0.437 225 F N -0.335 119.621 119.950 0.011 0.000 2.678 225 F HA 0.735 5.261 4.527 0.000 0.000 0.308 225 F C -1.516 174.227 175.800 -0.094 0.000 1.118 225 F CA -0.800 57.099 58.000 -0.167 0.000 0.959 225 F CB 1.418 40.406 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.903 119.974 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 0.000 0.000 0.371 226 H C -1.374 173.937 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.604 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 1.062 121.018 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 0.000 0.000 0.312 227 V C -0.465 175.606 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.664 62.300 0.013 0.000 0.931 227 V CB 1.625 33.433 31.823 -0.025 0.000 1.010 227 V HN 0.986 nan 8.190 nan 0.000 0.433 228 A N 2.127 124.905 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.553 52.037 -0.089 0.000 0.688 228 A CB 2.055 21.026 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 0.000 0.000 0.280 229 T C -0.364 174.149 174.700 -0.313 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 -0.502 0.000 2.750 230 R HA 0.734 5.074 4.340 0.000 0.000 0.281 230 R C -1.423 174.459 176.300 -0.697 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.386 0.000 0.912 230 R CB 1.527 31.721 30.300 -0.176 0.000 1.187 230 R HN 0.608 nan 8.270 nan 0.000 0.464 231 F N 0.567 120.516 119.950 -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 56.837 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 0.189 118.893 118.700 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 0.000 0.000 0.270 232 N C 0.407 175.781 175.510 -0.227 0.000 1.205 232 N CA -0.160 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.632 39.096 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.593 119.707 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 0.000 0.000 0.201 233 D C 0.374 176.536 176.300 -0.230 0.000 0.998 233 D CA 1.695 55.582 54.000 -0.189 0.000 0.885 233 D CB -0.362 40.395 40.800 -0.073 0.000 0.915 233 D HN 0.751 nan 8.370 nan 0.000 0.460 234 D N -1.948 118.358 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 0.000 0.000 0.215 234 D C 0.256 176.675 176.300 0.198 0.000 1.154 234 D CA -0.817 53.205 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 1.649 177.522 175.800 0.121 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.473 36.501 39.000 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.352 115.455 115.700 0.179 0.000 2.528 236 S HA 0.184 4.654 4.470 0.000 0.000 0.219 236 S C 0.645 175.299 174.600 0.090 0.000 0.985 236 S CA 0.061 58.335 58.200 0.123 0.000 0.914 236 S CB 0.386 63.633 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.456 121.018 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 0.000 0.000 0.271 237 R C -1.226 175.096 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.255 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 1.335 124.117 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 0.000 0.000 0.296 238 A C -1.058 176.433 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.207 0.000 0.775 238 A CB 2.157 21.012 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.326 121.120 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 0.000 0.000 0.295 239 V C -1.080 174.959 176.094 -0.092 0.000 1.026 239 V CA -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.346 33.102 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.318 126.524 121.223 -0.029 0.000 2.276 240 L HA 0.605 4.945 4.340 0.000 0.000 0.286 240 L C -0.027 176.807 176.870 -0.061 0.000 1.061 240 L CA 0.240 55.049 54.840 -0.052 0.000 0.807 240 L CB 1.037 43.091 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.842 125.000 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.551 31.221 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.282 127.093 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 0.000 0.000 0.316 242 A C -0.889 176.687 177.584 -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 20.391 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.213 122.403 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 0.000 0.000 0.268 243 E C -1.668 174.860 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.691 31.333 29.700 -0.096 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.980 123.829 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.477 4.120 0.000 0.000 0.305 244 V C -0.574 175.527 176.094 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 33.460 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.166 124.008 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 0.000 0.000 0.269 245 Q C -0.830 175.255 176.000 0.142 0.000 1.061 245 Q CA -0.824 55.056 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 -0.881 118.781 119.600 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 1.514 120.712 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 0.000 0.000 0.314 247 C C 0.559 175.444 174.990 -0.174 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.932 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.305 nan 8.230 nan 0.000 0.485 248 G N 3.174 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 0.000 0.000 0.246 248 G C -1.210 173.601 174.900 -0.148 0.000 1.299 248 G CA -0.482 44.530 45.100 -0.147 0.000 1.117 248 G HN 0.744 nan 8.290 nan 0.000 0.485 249 E N 0.443 120.556 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 0.000 0.000 0.282 249 E C 0.339 176.825 176.600 -0.190 0.000 1.031 249 E CA -0.402 55.920 56.400 -0.131 0.000 0.824 249 E CB 0.604 30.253 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 0.320 4.660 4.340 0.000 0.000 0.273 250 L C -0.004 176.748 176.870 -0.198 0.000 1.144 250 L CA 0.117 54.814 54.840 -0.239 0.000 0.863 250 L CB 0.211 42.147 42.059 -0.205 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.578 122.903 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 0.000 0.000 0.274 251 R C -0.069 176.038 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.303 56.100 -0.294 0.000 0.898 251 R CB 1.665 31.605 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.383 121.729 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 0.000 0.000 0.222 252 D C 0.861 177.180 176.300 0.031 0.000 0.976 252 D CA 1.165 55.161 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 -0.598 119.702 120.300 0.001 0.000 2.468 253 Y HA 0.393 4.943 4.550 0.000 0.000 0.268 253 Y C 0.856 176.752 175.900 -0.006 0.000 1.177 253 Y CA -0.947 57.155 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.931 123.944 121.223 -0.349 0.000 2.397 254 L HA 0.393 4.733 4.340 0.000 0.000 0.271 254 L C 0.188 176.995 176.870 -0.106 0.000 1.148 254 L CA -0.192 54.507 54.840 -0.236 0.000 0.825 254 L CB 0.627 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 2.038 122.382 120.500 -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 -0.512 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.392 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 0.661 120.375 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 0.000 0.000 0.309 256 V C -0.613 175.471 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.410 34.039 31.823 -0.323 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.440 118.055 114.554 0.102 0.000 2.881 257 T HA 0.672 5.022 4.350 0.000 0.000 0.290 257 T C -0.851 173.861 174.700 0.019 0.000 1.000 257 T CA -0.492 61.662 62.100 0.089 0.000 0.978 257 T CB 1.863 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 3.298 123.206 119.914 -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 5.199 120.914 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 0.000 0.000 0.293 259 S C -1.070 173.532 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.321 65.545 63.200 0.039 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.224 123.337 121.223 -0.183 0.000 2.322 260 L HA 0.747 5.087 4.340 0.000 0.000 0.281 260 L C -1.809 174.937 176.870 -0.206 0.000 1.014 260 L CA -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.735 42.784 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.082 124.482 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 0.000 0.000 0.337 261 W C -0.554 176.097 176.519 0.220 0.000 1.077 261 W CA -0.585 56.852 57.345 0.153 0.000 1.226 261 W CB 1.572 31.075 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.421 122.462 119.800 0.402 0.000 2.721 262 Q HA 0.490 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 29.109 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 45.549 45.100 0.074 0.000 0.965 263 G HN 0.519 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.650 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 0.000 0.000 0.192 264 E C 1.504 178.311 176.600 0.345 0.000 0.987 264 E CA 1.031 57.520 56.400 0.149 0.000 0.841 264 E CB -0.307 29.444 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.250 115.990 114.554 0.310 0.000 2.856 265 T HA 0.175 4.525 4.350 0.000 0.000 0.292 265 T C 0.044 174.861 174.700 0.197 0.000 0.980 265 T CA -0.366 61.888 62.100 0.256 0.000 1.091 265 T CB 1.450 70.384 68.868 0.111 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.757 122.401 119.800 -0.260 0.000 2.322 266 Q HA 0.285 4.625 4.340 0.000 0.000 0.256 266 Q C 0.447 176.177 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.759 55.803 -0.990 0.000 0.934 266 Q CB 0.923 28.685 28.738 -1.627 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.847 121.557 119.914 -0.341 0.000 2.825 267 V HA 0.380 4.500 4.120 0.000 0.000 0.246 267 V C 0.506 176.494 176.094 -0.176 0.000 1.068 267 V CA 0.810 63.019 62.300 -0.152 0.000 1.088 267 V CB -0.192 31.628 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.113 121.560 122.820 -0.246 0.000 2.594 268 A HA 0.743 5.063 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 1.662 20.589 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.951 114.659 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 0.000 0.000 0.275 269 S C -0.411 174.143 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.989 65.114 63.200 -0.125 0.000 1.116 269 S HN 2.263 nan 8.310 nan 0.000 0.472 270 G N 1.163 109.930 108.800 -0.055 0.000 2.759 270 G HA2 0.591 4.551 3.960 0.000 0.000 0.297 270 G HA3 0.591 4.551 3.960 0.000 0.000 0.297 270 G C -1.517 173.367 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 nan 8.290 nan 0.000 0.531 271 T N -0.135 114.406 114.554 -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 1.840 70.739 68.868 0.052 0.000 1.043 271 T HN 1.765 nan 8.240 nan 0.000 0.461 272 A N 3.141 125.918 122.820 -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 -1.384 50.592 52.037 -0.102 0.000 0.658 272 A CB 1.114 20.044 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.739 176.493 177.300 -0.113 0.000 1.293 273 P CA -0.490 62.562 63.100 -0.080 0.000 0.897 273 P CB 0.515 32.209 31.700 -0.009 0.000 1.166 274 F N 0.611 120.512 119.950 -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 1.812 59.776 58.000 -0.062 0.000 1.330 274 F CB -0.266 38.691 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.836 109.754 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.782 44.389 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.654 109.511 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 0.000 0.000 0.297 276 G C 0.074 175.006 174.900 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 -0.849 119.379 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.774 56.400 0.029 0.000 0.913 277 E CB 0.817 30.529 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.615 122.193 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 0.000 0.000 0.286 278 I C 1.037 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.984 61.300 0.001 0.000 1.430 278 I CB 0.188 38.185 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.898 121.466 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 0.000 0.000 0.318 279 I C -0.176 175.939 176.117 -0.002 0.000 1.282 279 I CA 0.172 61.480 61.300 0.014 0.000 1.276 279 I CB 0.356 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.372 120.014 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 0.000 0.000 0.337 280 D C 0.371 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.460 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 -0.872 119.314 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 0.000 0.000 0.196 281 E C 1.520 178.101 176.600 -0.031 0.000 0.993 281 E CA 1.130 57.517 56.400 -0.023 0.000 0.819 281 E CB -0.051 29.639 29.700 -0.017 0.000 0.745 281 E HN 0.252 nan 8.360 nan 0.000 0.477 282 R N -0.413 120.060 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 0.000 0.000 0.199 282 R C 0.954 177.213 176.300 -0.069 0.000 0.920 282 R CA 0.726 56.792 56.100 -0.056 0.000 1.046 282 R CB 0.767 31.028 30.300 -0.066 0.000 0.984 282 R HN 0.205 nan 8.270 nan 0.000 0.493 283 G N -0.374 108.384 108.800 -0.070 0.000 2.301 283 G HA2 -0.043 3.917 3.960 0.000 0.000 0.194 283 G HA3 -0.043 3.917 3.960 0.000 0.000 0.194 283 G C -0.392 174.449 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 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 44.284 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.834 121.148 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 0.000 0.000 0.344 285 Y C 1.368 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.023 58.144 58.100 0.035 0.000 1.180 285 Y CB 1.857 40.344 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.734 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 0.000 0.000 0.217 286 A C 1.324 179.005 177.584 0.162 0.000 1.169 286 A CA 1.470 53.574 52.037 0.111 0.000 0.638 286 A CB -0.242 18.780 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.603 119.898 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 0.000 0.000 0.229 287 D C 0.388 176.903 176.300 0.358 0.000 1.170 287 D CA -0.073 53.989 54.000 0.104 0.000 0.827 287 D CB -0.084 40.718 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.994 119.778 120.500 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 0.098 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.870 33.214 30.300 0.074 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.118 119.957 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 0.000 0.000 0.299 289 V C -1.678 174.312 176.094 -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 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.916 121.396 114.554 -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 1.226 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.482 nan 8.240 nan 0.000 0.438 291 L N 2.811 123.987 121.223 -0.077 0.000 2.330 291 L HA 0.656 4.996 4.340 0.000 0.000 0.271 291 L C 0.382 177.221 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.305 43.320 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.734 123.204 120.500 -0.050 0.000 2.435 292 R HA 0.634 4.974 4.340 0.000 0.000 0.308 292 R C -1.483 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.359 31.632 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 0.070 176.910 176.870 -0.050 0.000 1.024 293 L CA -0.914 53.897 54.840 -0.049 0.000 0.810 293 L CB 1.423 43.454 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.019 120.683 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 0.000 0.000 0.291 294 N C -0.986 174.474 175.510 -0.083 0.000 1.083 294 N CA -0.337 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.898 41.350 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.862 121.711 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 0.000 0.000 0.299 295 V C -0.150 175.862 176.094 -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 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.625 123.768 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 0.000 0.000 0.275 296 E C -0.017 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.351 56.015 56.400 -0.056 0.000 0.852 296 E CB 0.725 30.404 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.309 119.999 118.700 -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 53.450 53.050 0.009 0.000 0.759 297 N CB -1.406 37.091 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 0.230 63.211 63.100 -0.199 0.000 0.785 298 P CB 0.706 32.047 31.700 -0.599 0.000 0.923 299 K N 1.401 121.894 120.400 0.154 0.000 2.234 299 K HA 0.367 4.687 4.320 0.000 0.000 0.277 299 K C -0.155 176.604 176.600 0.264 0.000 1.038 299 K CA -0.313 56.078 56.287 0.173 0.000 0.888 299 K CB 0.191 32.766 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.713 124.012 121.223 0.126 0.000 2.395 300 L HA 0.346 4.686 4.340 0.000 0.000 0.269 300 L C -0.066 176.880 176.870 0.127 0.000 1.133 300 L CA -0.725 54.194 54.840 0.133 0.000 0.812 300 L CB 0.498 42.475 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.092 124.418 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 0.000 0.000 0.329 301 W C -0.023 176.443 176.519 -0.089 0.000 1.157 301 W CA 0.104 57.457 57.345 0.013 0.000 1.240 301 W CB 1.388 30.905 29.460 0.095 0.000 1.199 301 W HN 0.629 nan 8.180 nan 0.000 0.579 302 S N 2.881 117.883 115.700 -1.162 0.000 2.595 302 S HA 0.561 5.031 4.470 0.000 0.000 0.270 302 S C 0.027 173.840 174.600 -1.312 0.000 1.145 302 S CA -0.343 57.291 58.200 -0.943 0.000 0.825 302 S CB 0.899 63.813 63.200 -0.476 0.000 1.107 302 S HN 1.146 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 0.031 4.351 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 1.684 53.150 52.037 -0.951 0.000 0.644 303 A CB -1.028 17.227 19.000 -1.241 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.865 119.148 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.826 57.100 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.680 29.700 0.015 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.913 121.275 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -0.469 0.000 1.114 305 I CA -1.888 59.229 61.300 -0.305 0.000 1.076 305 I CB 2.250 40.128 38.000 -0.203 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.775 177.300 -0.047 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.572 0.000 0.990 306 P CB -0.371 31.225 31.700 -0.175 0.000 1.973 307 N N 1.577 120.266 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 0.000 0.000 0.263 307 N C 0.105 175.816 175.510 0.336 0.000 1.226 307 N CA 0.441 53.560 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 2.195 123.529 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 0.000 0.000 0.265 308 L C -0.844 176.086 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.212 43.387 42.059 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.159 120.269 120.300 0.212 0.000 2.605 309 Y HA 0.578 5.128 4.550 0.000 0.000 0.343 309 Y C -0.362 175.643 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.112 40.758 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.136 121.868 120.500 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 3.540 126.488 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 0.000 0.000 0.317 311 A C -1.199 176.457 177.584 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 2.016 122.006 119.914 0.126 0.000 2.487 312 V HA 0.517 4.637 4.120 0.000 0.000 0.298 312 V C -0.439 175.641 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.444 33.291 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.803 124.640 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 0.000 0.000 0.278 313 V C -0.031 176.008 176.094 -0.093 0.000 1.017 313 V CA -0.484 61.712 62.300 -0.174 0.000 0.823 313 V CB 1.007 32.573 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.046 125.243 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 0.000 0.000 0.266 314 E C -1.066 175.638 176.600 0.173 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.711 32.465 29.700 0.091 0.000 1.131 314 E HN 0.406 nan 8.360 nan 0.000 0.411 315 L N 5.449 126.738 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.696 176.242 176.870 0.112 0.000 1.046 315 L CA 0.057 54.930 54.840 0.056 0.000 0.816 315 L CB -0.233 41.831 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 -0.911 174.452 175.328 0.059 0.000 1.323 316 H CA -0.328 55.743 56.048 0.038 0.000 1.144 316 H CB 0.887 30.669 29.762 0.034 0.000 1.866 316 H HN 0.462 nan 8.280 nan 0.000 0.545 317 T N -2.855 111.827 114.554 0.214 0.000 2.881 317 T HA 0.533 4.883 4.350 0.000 0.000 0.278 317 T C 1.465 176.335 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.387 70.446 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.035 123.996 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 0.000 0.000 0.219 318 A C 1.856 179.539 177.584 0.166 0.000 1.176 318 A CA 2.094 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 -2.458 118.027 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.486 55.539 54.000 0.088 0.000 0.847 319 D CB -0.260 40.572 40.800 0.054 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.479 107.401 108.800 0.132 0.000 2.227 320 G HA2 -0.184 3.776 3.960 0.000 0.000 0.168 320 G HA3 -0.184 3.776 3.960 0.000 0.000 0.168 320 G C 0.193 175.129 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.915 116.538 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 0.000 0.000 0.297 321 T C 0.246 175.032 174.700 0.144 0.000 0.956 321 T CA 0.007 62.168 62.100 0.102 0.000 1.123 321 T CB 1.568 70.492 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.975 126.258 121.223 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 0.326 42.424 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.120 123.747 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 0.000 0.000 0.250 323 I C 0.623 176.752 176.117 0.021 0.000 1.112 323 I CA 0.929 62.255 61.300 0.044 0.000 1.438 323 I CB -0.299 37.709 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.730 119.488 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 0.000 0.000 0.279 324 E C -1.622 175.003 176.600 0.043 0.000 1.132 324 E CA -1.037 55.377 56.400 0.024 0.000 0.876 324 E CB 0.948 30.624 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.918 123.792 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.971 21.019 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.532 119.722 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 0.000 0.000 0.273 326 E C -0.625 175.991 176.600 0.027 0.000 0.918 326 E CA -0.473 56.039 56.400 0.187 0.000 0.773 326 E CB 2.487 32.226 29.700 0.065 0.000 1.275 326 E HN 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.176 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 0.000 0.000 0.290 327 A C -1.158 176.606 177.584 0.299 0.000 1.136 327 A CA -0.324 51.776 52.037 0.105 0.000 0.681 327 A CB 1.110 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 -0.785 118.649 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 4.460 0.000 0.000 0.340 328 C C -1.629 173.443 174.990 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 0.968 121.425 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 0.000 0.000 0.248 329 D C -0.475 175.859 176.300 0.057 0.000 1.094 329 D CA 0.137 54.195 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 0.648 4.768 4.120 0.000 0.000 0.307 330 V C 0.381 176.522 176.094 0.078 0.000 1.051 330 V CA -0.698 61.612 62.300 0.016 0.000 0.893 330 V CB 2.182 33.997 31.823 -0.013 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.769 111.504 108.800 -0.108 0.000 2.609 331 G HA2 0.640 4.600 3.960 0.000 0.000 0.308 331 G HA3 0.640 4.600 3.960 0.000 0.000 0.308 331 G C -1.258 173.632 174.900 -0.018 0.000 1.369 331 G CA -0.407 44.704 45.100 0.018 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.274 122.407 119.950 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 1.098 40.348 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.236 122.024 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 0.000 0.000 0.266 333 R C -1.723 174.719 176.300 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 2.021 122.264 120.200 0.072 0.000 2.199 334 E HA 0.462 4.812 4.350 0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.986 55.517 56.400 0.172 0.000 0.759 334 E CB 2.118 31.969 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.528 125.501 119.914 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 61.803 62.300 0.054 0.000 0.850 335 V CB 1.125 32.961 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.421 124.952 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 0.000 0.000 0.269 336 R C -2.008 174.315 176.300 0.038 0.000 1.026 336 R CA -0.869 55.263 56.100 0.053 0.000 0.889 336 R CB 1.714 32.058 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.967 122.559 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 0.000 0.000 0.290 337 I C -0.513 175.623 176.117 0.031 0.000 1.008 337 I CA -0.279 61.038 61.300 0.028 0.000 1.226 337 I CB 1.617 39.635 38.000 0.030 0.000 1.371 337 I HN 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.436 126.651 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.077 30.798 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.367 122.078 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 0.000 0.000 0.249 339 N C 0.469 175.984 175.510 0.007 0.000 1.048 339 N CA 2.091 55.149 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 -2.203 106.601 108.800 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 0.512 45.612 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.020 121.199 121.223 -0.007 0.000 2.362 341 L HA 0.739 5.079 4.340 0.000 0.000 0.271 341 L C -0.050 176.810 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.903 43.951 42.059 -0.019 0.000 1.298 341 L HN 0.089 nan 8.230 nan 0.000 0.420 342 L N 3.986 125.188 121.223 -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 0.389 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 -0.807 176.069 176.870 0.009 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.988 44.070 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.316 124.553 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 0.000 0.000 0.274 344 L C -0.417 176.494 176.870 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 0.817 176.124 175.510 -0.337 0.000 1.033 345 N CA 1.404 54.167 53.050 -0.478 0.000 0.727 345 N CB -1.070 37.013 38.487 -0.673 0.000 0.950 345 N HN 1.153 nan 8.380 nan 0.000 0.541 346 G N -2.156 106.667 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 0.000 0.000 0.230 346 G C 0.019 174.970 174.900 0.084 0.000 1.021 346 G CA 0.672 45.859 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.231 121.670 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 0.000 0.000 0.243 347 K C -3.041 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.211 34.630 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 0.684 32.347 31.700 -0.063 0.000 0.929 349 L N 3.410 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 0.000 0.000 0.257 349 L C 0.468 177.259 176.870 -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 3.119 124.278 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 0.000 0.000 0.260 350 L C -0.604 176.212 176.870 -0.090 0.000 0.998 350 L CA -0.270 54.493 54.840 -0.128 0.000 0.883 350 L CB 0.865 42.880 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.316 124.767 120.570 -0.199 0.000 2.505 351 I HA 0.146 4.316 4.170 0.000 0.000 0.287 351 I C 0.647 176.694 176.117 -0.116 0.000 1.104 351 I CA 0.315 61.501 61.300 -0.190 0.000 1.387 351 I CB 0.285 38.047 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 -1.277 173.927 174.900 0.507 0.000 1.217 353 G CA -0.508 44.645 45.100 0.087 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 -1.314 174.939 176.094 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 3.871 122.632 118.700 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 52.537 53.050 -0.123 0.000 0.973 355 N CB 1.801 40.223 38.487 -0.109 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.589 121.863 120.500 -0.377 0.000 2.522 356 R HA 0.246 4.586 4.340 0.000 0.000 0.283 356 R C -1.196 174.868 176.300 -0.394 0.000 1.074 356 R CA -0.553 55.347 56.100 -0.334 0.000 0.925 356 R CB 1.018 31.128 30.300 -0.317 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.003 120.944 119.070 -0.214 0.000 2.495 357 H HA 0.185 4.741 4.556 0.000 0.000 0.350 357 H C -0.533 174.796 175.328 0.000 0.000 1.202 357 H CA -0.215 55.789 56.048 -0.074 0.000 1.322 357 H CB 1.643 31.413 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.634 122.028 120.200 0.325 0.000 1.963 358 E HA 0.112 4.462 4.350 0.000 0.000 0.274 358 E C -0.772 175.965 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.224 30.023 29.700 0.165 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.564 120.683 119.070 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 55.396 56.048 0.069 0.000 1.253 359 H CB 1.080 30.877 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.505 125.201 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 0.000 0.000 0.339 360 H C -2.223 172.661 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.288 56.048 -0.511 0.000 1.257 360 H CB 2.493 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 1.207 178.378 177.300 -0.215 0.000 1.146 361 P CA 1.011 63.892 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.127 119.107 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 0.000 0.000 0.200 362 L C 2.464 179.272 176.870 -0.103 0.000 1.064 362 L CA 0.614 55.415 54.840 -0.065 0.000 0.821 362 L CB -0.757 41.157 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.310 118.729 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 0.000 0.000 0.266 363 H C 1.461 176.671 175.328 -0.197 0.000 0.977 363 H CA 0.133 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.306 29.799 29.762 -0.448 0.000 1.381 363 H HN 0.446 nan 8.280 nan 0.000 0.581 364 G N 1.435 110.155 108.800 -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 0.497 175.310 174.900 -0.144 0.000 1.146 364 G CA 0.242 45.208 45.100 -0.223 0.000 0.961 364 G HN 0.453 nan 8.290 nan 0.000 0.549 365 Q N 0.119 119.844 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 0.000 0.000 0.205 365 Q C 0.294 176.329 176.000 0.058 0.000 0.896 365 Q CA -0.046 55.712 55.803 -0.075 0.000 0.950 365 Q CB 0.767 29.354 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.825 121.776 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 0.000 0.000 0.275 366 V C 0.140 176.272 176.094 0.063 0.000 1.043 366 V CA -0.204 62.154 62.300 0.096 0.000 0.925 366 V CB 1.035 32.870 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 -0.563 175.680 176.300 -0.095 0.000 1.195 367 M CA -0.547 54.742 55.300 -0.019 0.000 1.000 367 M CB 1.653 34.209 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.123 118.235 120.400 -0.070 0.000 2.655 368 D HA 0.236 4.876 4.640 0.000 0.000 0.229 368 D C 0.249 176.541 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.422 42.220 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.315 120.515 120.200 0.001 0.000 2.082 369 E HA -0.431 3.919 4.350 0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.174 58.612 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 2.704 58.564 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 1.187 115.812 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.775 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 2.494 178.923 176.300 0.215 0.000 1.072 372 M CA 1.718 57.174 55.300 0.259 0.000 1.090 372 M CB -1.014 31.769 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.099 119.888 119.914 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 2.034 64.340 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 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.269 119.575 119.800 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 2.265 58.125 55.803 0.095 0.000 0.851 374 Q CB -0.183 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 1.280 55.390 54.000 0.184 0.000 0.834 375 D CB -0.374 40.517 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.603 121.133 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 0.000 0.000 0.241 376 I C 2.526 178.522 176.117 -0.202 0.000 1.070 376 I CA 0.874 62.034 61.300 -0.234 0.000 1.327 376 I CB -0.361 37.394 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 1.368 56.203 54.840 -0.008 0.000 0.749 377 L CB -0.600 41.475 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.926 120.385 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.602 56.607 54.840 0.275 0.000 0.749 378 L CB -0.407 41.940 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.559 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.883 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.558 31.779 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.239 120.611 120.400 -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 1.654 57.808 56.287 -0.221 0.000 0.926 380 K CB -0.346 31.821 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 0.860 177.146 176.000 0.476 0.000 0.970 381 Q CA 0.735 56.800 55.803 0.437 0.000 0.876 381 Q CB 0.065 29.029 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.849 119.798 118.700 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 53.287 53.050 0.411 0.000 0.854 382 N CB 0.617 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 -0.880 174.543 175.510 -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 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.988 120.952 119.950 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 0.918 39.895 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.289 119.113 118.700 0.208 0.000 2.118 385 N HA 0.436 5.176 4.740 0.000 0.000 0.226 385 N C -0.886 174.692 175.510 0.113 0.000 1.305 385 N CA 0.031 53.138 53.050 0.095 0.000 0.890 385 N CB 0.742 39.327 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.512 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 0.000 0.000 0.293 386 A C -1.708 176.102 177.584 0.376 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.727 20.958 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.692 120.861 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 0.000 0.000 0.307 387 V C -0.931 175.270 176.094 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 4.485 124.936 120.500 -0.083 0.000 2.387 388 R HA 0.511 4.851 4.340 0.000 0.000 0.314 388 R C -0.831 175.318 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.223 31.058 30.300 -0.775 0.000 1.147 388 R HN 0.858 nan 8.270 nan 0.000 0.447 389 C N 4.278 123.460 119.300 -0.196 0.000 3.183 389 C HA 0.106 4.566 4.460 0.000 0.000 0.545 389 C C 0.551 175.244 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.381 59.018 -0.283 0.000 1.117 389 C CB -2.138 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 1.492 116.772 115.700 -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 -1.546 0.000 1.232 390 S CA 0.111 57.595 58.200 -1.194 0.000 1.066 390 S CB 0.097 62.531 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.433 121.853 119.070 -1.083 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 -0.403 0.000 1.335 391 H CB -0.098 29.636 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.696 117.704 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 0.000 0.000 0.346 392 Y C -3.305 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.038 55.168 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.577 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.488 0.000 1.218 393 P CA 0.053 63.412 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 0.153 119.154 118.700 0.501 0.000 2.491 394 N HA 0.111 4.851 4.740 0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.386 38.815 38.487 -0.097 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.208 121.388 119.070 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 -1.121 55.045 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.020 64.339 63.100 0.364 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.179 120.421 121.223 0.628 0.000 2.081 397 L HA -0.139 4.201 4.340 0.000 0.000 0.212 397 L C 2.413 179.532 176.870 0.415 0.000 1.080 397 L CA 1.667 56.818 54.840 0.518 0.000 0.754 397 L CB -1.429 40.940 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.283 121.124 121.300 0.179 0.000 2.290 398 W HA -0.408 4.252 4.660 0.000 0.000 0.328 398 W C 2.312 178.744 176.519 -0.145 0.000 1.272 398 W CA 2.267 59.565 57.345 -0.077 0.000 1.262 398 W CB -0.592 28.681 29.460 -0.312 0.000 1.151 398 W HN 0.284 nan 8.180 nan 0.000 0.473 399 Y N 0.711 120.989 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 0.000 0.000 0.285 399 Y C 2.834 178.514 175.900 -0.368 0.000 1.166 399 Y CA 2.253 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 -0.144 nan 8.280 nan 0.000 0.520 400 T N 0.571 115.163 114.554 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 1.380 63.570 62.100 0.150 0.000 1.146 400 T CB -0.572 68.433 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.696 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 0.000 0.000 0.210 401 L C 2.908 179.778 176.870 -0.000 0.000 1.076 401 L CA 1.070 55.946 54.840 0.060 0.000 0.749 401 L CB -0.777 41.298 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.344 118.785 119.300 -0.285 0.000 2.425 402 C HA -0.151 4.309 4.460 0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.389 59.252 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.630 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.421 120.835 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.254 0.000 0.992 403 D CA 1.314 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 -0.852 119.704 120.500 0.094 0.000 2.075 404 R HA -0.019 4.321 4.340 0.000 0.000 0.226 404 R C 2.317 178.529 176.300 -0.147 0.000 1.114 404 R CA 0.751 56.830 56.100 -0.036 0.000 0.972 404 R CB -0.331 29.858 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.781 119.527 120.300 0.013 0.000 2.337 405 Y HA 0.130 4.680 4.550 0.000 0.000 0.293 405 Y C 0.954 176.780 175.900 -0.123 0.000 1.123 405 Y CA 0.931 59.008 58.100 -0.039 0.000 1.201 405 Y CB 0.570 38.975 38.460 -0.092 0.000 1.011 405 Y HN 0.259 nan 8.280 nan 0.000 0.545 406 G N 1.046 109.865 108.800 0.032 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 0.121 nan 8.290 nan 0.000 0.589 407 L N 0.960 122.082 121.223 -0.168 0.000 2.455 407 L HA 0.468 4.808 4.340 0.000 0.000 0.264 407 L C -0.059 176.755 176.870 -0.094 0.000 0.968 407 L CA -1.220 53.477 54.840 -0.238 0.000 0.827 407 L CB 2.045 43.989 42.059 -0.192 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 2.063 122.461 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.568 57.655 58.100 0.206 0.000 1.318 408 Y CB 1.273 39.846 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.729 123.809 119.914 0.278 0.000 2.735 409 V HA 0.386 4.506 4.120 0.000 0.000 0.310 409 V C -0.736 175.424 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.105 33.988 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.596 122.553 119.914 0.072 0.000 2.328 410 V HA 0.352 4.472 4.120 0.000 0.000 0.278 410 V C -0.398 175.725 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.408 33.159 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.051 124.508 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 0.000 0.000 0.252 411 D C -0.182 176.289 176.300 0.285 0.000 1.150 411 D CA 0.092 54.242 54.000 0.251 0.000 0.870 411 D CB 1.212 42.202 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.824 122.167 120.200 0.238 0.000 2.234 412 E HA 0.607 4.957 4.350 0.000 0.000 0.266 412 E C -1.117 175.618 176.600 0.225 0.000 0.877 412 E CA -1.074 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.731 126.680 122.820 0.214 0.000 2.445 413 A HA 0.072 4.392 4.320 0.000 0.000 0.242 413 A C 0.351 178.057 177.584 0.203 0.000 1.075 413 A CA -0.272 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 0.264 4.434 4.170 0.000 0.000 0.284 415 I C -0.587 175.617 176.117 0.144 0.000 1.088 415 I CA -0.660 60.731 61.300 0.153 0.000 1.062 415 I CB 1.874 39.938 38.000 0.108 0.000 1.218 415 I HN 0.210 nan 8.210 nan 0.000 0.442 416 E N 4.217 124.499 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 0.000 0.000 0.272 416 E C -0.450 176.210 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.088 0.000 0.770 416 E CB 1.871 31.602 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.628 115.229 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 0.000 0.000 0.282 417 T C 0.962 175.708 174.700 0.077 0.000 1.010 417 T CA -0.248 61.927 62.100 0.125 0.000 0.928 417 T CB -0.313 68.605 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.282 120.269 119.070 -0.138 0.000 2.330 418 H HA -0.149 4.407 4.556 0.000 0.000 0.290 418 H C 2.320 177.514 175.328 -0.224 0.000 1.111 418 H CA 1.617 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.340 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.249 108.901 108.800 -0.247 0.000 2.679 419 G HA2 -0.073 3.887 3.960 0.000 0.000 0.212 419 G HA3 -0.073 3.887 3.960 0.000 0.000 0.212 419 G C 0.623 175.613 174.900 0.151 0.000 1.137 419 G CA -0.017 44.968 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.037 119.693 119.600 0.217 0.000 2.113 420 M HA 0.340 4.820 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 0.096 55.484 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 1.927 121.851 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 0.000 0.000 0.294 421 V C -2.201 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.979 33.797 31.823 -0.008 0.000 1.025 421 V HN 0.735 nan 8.190 nan 0.000 0.440 422 P HA 0.265 nan 4.420 nan 0.000 0.274 422 P C 1.136 178.431 177.300 -0.009 0.000 1.246 422 P CA -0.522 62.569 63.100 -0.014 0.000 0.795 422 P CB 0.819 32.513 31.700 -0.011 0.000 1.006 423 M N 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.245 57.551 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.404 nan 8.290 nan 0.000 0.406 424 N N -0.224 118.483 118.700 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 -0.661 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.641 121.093 120.500 -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 1.719 57.747 56.100 -0.121 0.000 0.957 425 R CB -0.145 30.084 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.803 120.228 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 0.000 0.000 0.202 426 L C 2.557 179.232 176.870 -0.326 0.000 1.076 426 L CA 1.391 55.897 54.840 -0.556 0.000 0.761 426 L CB -0.760 40.718 42.059 -0.969 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.693 110.712 114.554 -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 1.488 63.429 62.100 -0.266 0.000 1.123 427 T CB -0.367 68.308 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.409 121.728 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 0.000 0.000 0.224 428 D C -0.548 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.062 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.614 119.769 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 0.000 0.000 0.251 429 D C -1.829 174.537 176.300 0.111 0.000 1.153 429 D CA -2.293 51.741 54.000 0.057 0.000 0.861 429 D CB 2.198 43.069 40.800 0.117 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.262 64.372 63.100 0.016 0.000 0.872 430 P CB 0.316 32.015 31.700 -0.002 0.000 0.790 431 R N -1.824 118.691 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 0.000 0.000 0.243 431 R C 1.915 178.078 176.300 -0.229 0.000 1.145 431 R CA 1.663 57.702 56.100 -0.101 0.000 0.976 431 R CB -0.859 29.363 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.578 120.661 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 0.000 0.000 0.287 432 W C 1.386 177.841 176.519 -0.107 0.000 1.288 432 W CA -0.545 56.738 57.345 -0.103 0.000 1.725 432 W CB -0.155 29.240 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.916 124.183 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 0.000 0.000 0.220 433 L C -0.499 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.307 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.240 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.854 177.300 -0.084 0.000 1.158 434 P CA 2.612 65.654 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.516 122.267 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.566 54.598 52.037 -0.009 0.000 0.623 435 A CB -1.576 17.469 19.000 0.075 0.000 0.826 435 A HN 0.097 nan 8.150 nan 0.000 0.444 436 M N 0.366 119.982 119.600 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 57.261 55.300 -0.017 0.000 1.107 436 M CB -0.801 31.769 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.457 116.077 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 4.470 0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.400 59.458 58.200 -0.237 0.000 1.042 437 S CB -0.722 62.323 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.275 121.368 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 0.000 0.000 0.196 438 E C 2.348 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.022 57.328 56.400 -0.156 0.000 0.804 438 E CB -0.240 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 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 0.997 57.073 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 0.039 119.867 119.914 -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 2.033 64.236 62.300 -0.163 0.000 1.037 440 V CB -0.400 31.317 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.167 114.115 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.894 63.656 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 0.590 120.976 120.500 -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 -0.580 29.655 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.332 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 0.000 0.000 0.260 443 M C 1.952 178.197 176.300 -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 1.552 121.324 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.308 64.361 62.300 -0.412 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 2.226 445 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 445 Q C 2.349 178.281 176.000 -0.112 0.000 0.975 445 Q CA 1.629 57.383 55.803 -0.081 0.000 0.866 445 Q CB -0.353 28.366 28.738 -0.033 0.000 0.915 445 Q HN 0.597 nan 8.270 nan 0.000 0.440 446 R N 0.779 121.204 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.753 176.976 176.300 -0.130 0.000 1.125 446 R CA 1.428 57.427 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.516 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.015 120.371 120.400 -0.025 0.000 2.360 447 D HA -0.020 4.620 4.640 0.000 0.000 0.210 447 D C 1.465 177.863 176.300 0.164 0.000 1.047 447 D CA 0.235 54.265 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 0.795 121.411 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 0.000 0.000 0.225 448 R C 0.904 177.200 176.300 -0.007 0.000 1.114 448 R CA 1.066 57.294 56.100 0.214 0.000 1.007 448 R CB -0.413 29.978 30.300 0.152 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.213 118.822 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 0.000 0.000 0.192 449 N C -0.528 174.839 175.510 -0.238 0.000 1.109 449 N CA 0.129 53.045 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 1.569 120.551 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 0.000 0.000 0.294 450 H C -1.201 173.962 175.328 -0.275 0.000 1.079 450 H CA -1.329 54.615 56.048 -0.173 0.000 1.411 450 H CB 1.631 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 -0.176 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.700 0.000 1.148 451 P CA 1.322 64.075 63.100 -0.579 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.011 0.000 0.783 452 S N -1.312 114.050 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.307 58.348 58.200 -0.264 0.000 0.965 452 S CB -1.404 61.758 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.560 123.400 119.914 -0.123 0.000 2.470 453 V HA 0.264 4.384 4.120 0.000 0.000 0.276 453 V C 1.021 176.972 176.094 -0.240 0.000 1.040 453 V CA -0.078 62.117 62.300 -0.175 0.000 1.008 453 V CB 0.625 32.242 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.538 123.010 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 0.000 0.000 0.331 454 I C 0.202 176.197 176.117 -0.204 0.000 1.348 454 I CA 0.340 61.551 61.300 -0.148 0.000 1.152 454 I CB 0.520 38.513 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.488 120.903 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 0.000 0.000 0.293 455 I C -1.599 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.398 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.048 40.044 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.859 125.203 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 0.000 0.000 0.331 456 W C 0.441 177.021 176.519 0.102 0.000 1.119 456 W CA -0.628 56.766 57.345 0.083 0.000 1.240 456 W CB 1.654 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 2.792 118.722 115.700 0.383 0.000 2.557 457 S HA 0.398 4.868 4.470 0.000 0.000 0.291 457 S C -0.093 174.673 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.789 64.113 63.200 0.206 0.000 1.028 457 S HN 0.567 nan 8.310 nan 0.000 0.484 458 L N 4.186 125.568 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.156 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.451 40.614 42.059 0.009 0.000 1.077 458 L HN 1.040 nan 8.230 nan 0.000 0.438 459 G N 0.133 109.086 108.800 0.255 0.000 2.297 459 G HA2 -0.151 3.809 3.960 0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 0.000 0.000 0.209 459 G C -1.482 173.586 174.900 0.280 0.000 1.267 459 G CA -0.549 44.696 45.100 0.242 0.000 1.127 459 G HN 0.234 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 -0.459 175.006 175.510 -0.075 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 0.273 120.322 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 0.000 0.000 0.164 461 E C -0.783 175.712 176.600 -0.174 0.000 1.355 461 E CA 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.447 27.730 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.163 115.912 115.700 0.082 0.000 2.941 462 S HA 0.399 4.869 4.470 0.000 0.000 0.251 462 S C 0.725 175.482 174.600 0.261 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.715 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 0.000 0.000 0.267 463 G C -0.515 174.599 174.900 0.357 0.000 1.264 463 G CA -0.005 45.199 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.435 119.630 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 0.000 0.000 0.340 464 H C 0.115 175.619 175.328 0.295 0.000 1.004 464 H CA 0.060 56.260 56.048 0.252 0.000 1.288 464 H CB 1.021 30.858 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.382 110.188 108.800 0.009 0.000 2.642 465 G HA2 0.453 4.413 3.960 0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 0.000 0.000 0.293 465 G C 0.494 175.222 174.900 -0.288 0.000 1.341 465 G CA -0.143 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.601 123.299 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 0.000 0.000 0.220 466 A C 2.186 179.725 177.584 -0.075 0.000 1.171 466 A CA 2.206 54.178 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 -0.347 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.181 4.559 4.740 0.000 0.000 0.190 467 N C 1.416 176.850 175.510 -0.126 0.000 1.017 467 N CA 1.884 54.841 53.050 -0.154 0.000 0.859 467 N CB -0.724 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.397 119.409 119.070 -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 1.355 57.361 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 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.344 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 0.797 123.706 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 0.000 0.000 0.218 470 A C 2.464 180.153 177.584 0.175 0.000 1.181 470 A CA 1.040 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 1.739 56.666 54.840 0.144 0.000 0.749 471 L CB -0.808 41.273 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.951 121.330 120.300 0.131 0.000 2.081 472 Y HA -0.316 4.234 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 1.630 59.811 58.100 0.135 0.000 1.135 472 Y CB -0.234 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.009 120.640 120.500 0.218 0.000 2.083 473 R HA -0.250 4.090 4.340 0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.014 58.163 56.100 0.082 0.000 0.951 473 R CB -1.697 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 1.310 122.567 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 0.000 0.000 0.313 474 W C 1.942 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.951 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 0.613 121.174 120.570 -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 1.433 62.554 61.300 -0.297 0.000 1.343 475 I CB -1.016 36.878 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.380 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 0.000 0.000 0.210 476 K C 2.219 178.667 176.600 -0.252 0.000 1.048 476 K CA 1.891 58.004 56.287 -0.290 0.000 0.926 476 K CB -0.668 31.641 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.313 115.827 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 0.000 0.000 0.225 477 S C 2.227 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.810 58.832 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 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.406 0.000 1.045 478 V CA 1.237 63.155 62.300 -0.637 0.000 1.058 478 V CB -0.236 30.890 31.823 -1.162 0.000 0.689 478 V HN 0.393 nan 8.190 nan 0.000 0.461 479 D N -0.715 119.485 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 0.000 0.000 0.253 479 D C -2.272 174.004 176.300 -0.040 0.000 1.288 479 D CA -1.767 52.155 54.000 -0.130 0.000 0.950 479 D CB 1.980 42.786 40.800 0.011 0.000 1.197 479 D HN 0.078 nan 8.370 nan 0.000 0.550 480 P HA 0.027 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 0.228 63.316 63.100 -0.020 0.000 0.807 480 P CB 0.312 31.990 31.700 -0.036 0.000 1.150 481 S N -0.504 115.225 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 0.000 0.000 0.228 481 S C 0.908 175.538 174.600 0.051 0.000 0.995 481 S CA -0.040 58.192 58.200 0.054 0.000 0.934 481 S CB -0.399 62.827 63.200 0.044 0.000 0.771 481 S HN 0.106 nan 8.310 nan 0.000 0.522 482 R N 0.955 121.503 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 0.000 0.000 0.279 482 R C -3.221 173.142 176.300 0.106 0.000 0.977 482 R CA -2.409 53.710 56.100 0.032 0.000 0.906 482 R CB 1.062 31.264 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.634 63.100 0.106 0.000 0.802 483 P CB 0.782 32.529 31.700 0.078 0.000 1.035 484 V N 1.856 121.893 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 0.000 0.000 0.302 484 V C 0.139 176.410 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.333 33.299 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.675 123.630 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.952 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.187 120.505 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 0.000 0.000 0.321 486 Y C -0.373 175.477 175.900 -0.084 0.000 1.189 486 Y CA -0.644 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.097 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.337 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 0.000 0.000 0.192 487 E C 0.734 176.875 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.801 56.400 -0.608 0.000 0.849 487 E CB 0.177 29.638 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.064 107.966 108.800 -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 1.000 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 2.664 54.639 52.037 -0.103 0.000 1.062 491 A CB -1.811 17.099 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.095 119.320 120.400 0.025 0.000 2.692 492 D HA 0.300 4.940 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 39.797 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 1.615 176.184 174.700 -0.219 0.000 1.007 493 T CA 0.582 62.535 62.100 -0.245 0.000 0.980 493 T CB 1.031 69.539 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.140 112.273 114.554 -0.235 0.000 3.113 494 T HA 0.127 4.477 4.350 0.000 0.000 0.263 494 T C 1.649 176.102 174.700 -0.411 0.000 1.143 494 T CA 0.601 62.576 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.140 122.751 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 0.000 0.000 0.227 495 A C 0.980 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.025 51.761 52.037 -0.420 0.000 0.870 495 A CB -0.112 18.898 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.532 112.883 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 0.000 0.000 0.299 496 T C -0.561 174.169 174.700 0.049 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.319 70.190 68.868 0.005 0.000 1.070 496 T HN 0.077 nan 8.240 nan 0.000 0.465 497 D N 2.618 123.125 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 0.000 0.000 0.215 497 D C 0.256 176.592 176.300 0.060 0.000 1.016 497 D CA 0.661 54.750 54.000 0.148 0.000 0.870 497 D CB 0.397 41.310 40.800 0.189 0.000 0.917 497 D HN 0.512 nan 8.370 nan 0.000 0.524 498 I N 0.471 121.057 120.570 0.026 0.000 2.769 498 I HA 0.253 4.423 4.170 0.000 0.000 0.298 498 I C -0.429 175.630 176.117 -0.097 0.000 1.128 498 I CA -0.955 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.996 40.985 38.000 -0.020 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.901 125.369 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 0.000 0.000 0.292 499 I C -0.056 175.869 176.117 -0.320 0.000 1.075 499 I CA -0.165 60.947 61.300 -0.313 0.000 1.333 499 I CB 0.050 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 5.416 124.547 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 0.000 0.000 0.227 500 C C -2.190 172.667 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.626 59.018 -0.208 0.000 1.516 500 C CB -0.892 26.781 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.438 nan 4.420 nan 0.000 0.275 501 P C -0.513 176.720 177.300 -0.112 0.000 1.266 501 P CA -0.028 62.960 63.100 -0.186 0.000 0.793 501 P CB 0.692 32.281 31.700 -0.186 0.000 1.074 502 M N -0.890 118.672 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.962 4.480 0.000 0.000 0.293 502 M C -1.082 175.203 176.300 -0.025 0.000 0.994 502 M CA -0.633 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.652 34.087 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.325 120.124 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 0.000 0.000 0.239 503 Y C 0.490 176.544 175.900 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 1.007 nan 8.280 nan 0.000 0.655 504 A N 1.094 124.122 122.820 0.346 0.000 2.425 504 A HA 0.614 4.934 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 -0.374 51.866 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 1.131 121.761 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 0.000 0.000 0.268 505 R C 1.096 177.363 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.476 56.100 0.102 0.000 1.142 505 R CB 0.763 31.101 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.672 120.407 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 0.000 0.000 0.245 506 V C 0.868 176.845 176.094 -0.195 0.000 1.043 506 V CA 1.898 63.972 62.300 -0.377 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 -1.422 118.897 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 0.000 0.000 0.213 507 D C 0.748 177.029 176.300 -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 -1.036 175.568 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 31.159 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.236 123.638 120.400 0.002 0.000 2.225 509 D HA 0.183 4.823 4.640 0.000 0.000 0.249 509 D C -0.752 175.449 176.300 -0.164 0.000 1.052 509 D CA -0.026 53.967 54.000 -0.012 0.000 0.909 509 D CB 1.410 42.262 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.555 121.147 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 0.000 0.000 0.250 510 Q C -2.342 173.004 176.000 -1.090 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.689 0.000 0.707 510 Q CB 2.451 30.802 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.066 nan 4.420 nan 0.000 0.220 511 P C -0.852 176.092 177.300 -0.592 0.000 1.806 511 P CA -0.133 62.542 63.100 -0.709 0.000 0.976 511 P CB -0.531 30.956 31.700 -0.357 0.000 1.952 512 F N 2.438 122.235 119.950 -0.254 0.000 2.459 512 F HA 0.262 4.789 4.527 0.000 0.000 0.346 512 F C -1.217 174.477 175.800 -0.177 0.000 1.128 512 F CA -2.629 55.268 58.000 -0.171 0.000 1.268 512 F CB -0.449 38.467 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 0.386 177.701 177.300 0.025 0.000 1.195 513 P CA 0.968 64.083 63.100 0.026 0.000 0.768 513 P CB 1.014 32.731 31.700 0.028 0.000 0.838 514 A N 2.840 125.660 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 0.000 0.000 0.241 514 A C 0.714 178.293 177.584 -0.009 0.000 0.569 514 A CA 2.176 54.215 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.751 nan 8.150 nan 0.000 0.679 515 V N -3.559 116.352 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 0.000 0.000 0.260 515 V C -2.666 173.430 176.094 0.004 0.000 0.933 515 V CA -1.251 61.042 62.300 -0.011 0.000 0.994 515 V CB 0.898 32.724 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.744 0.000 1.231 516 P CA 0.052 62.797 63.100 -0.592 0.000 0.790 516 P CB 0.967 31.918 31.700 -1.248 0.000 0.951 517 K N 2.135 122.151 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 0.000 0.000 0.252 517 K C -0.481 175.840 176.600 -0.465 0.000 1.000 517 K CA -0.286 55.788 56.287 -0.355 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 1.560 122.586 121.300 -0.457 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.652 56.515 57.345 -0.297 0.000 1.259 518 W CB 0.516 29.642 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.197 119.061 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 0.000 0.000 0.288 519 S C 1.133 175.876 174.600 0.240 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 1.427 122.096 120.570 0.165 0.000 2.361 520 I HA -0.176 3.994 4.170 0.000 0.000 0.251 520 I C 1.868 178.006 176.117 0.036 0.000 1.133 520 I CA 1.228 62.624 61.300 0.160 0.000 1.413 520 I CB -0.572 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 1.943 122.273 120.400 -0.118 0.000 2.148 521 K HA -0.159 4.161 4.320 0.000 0.000 0.204 521 K C 2.154 178.737 176.600 -0.027 0.000 1.050 521 K CA 1.535 57.684 56.287 -0.231 0.000 0.942 521 K CB -0.283 31.985 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.678 121.087 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.642 56.918 56.287 -0.018 0.000 0.941 522 K CB -0.091 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 2.083 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 0.000 0.000 0.306 523 W C 1.559 178.042 176.519 -0.060 0.000 1.217 523 W CA 1.338 58.657 57.345 -0.042 0.000 1.257 523 W CB -0.660 28.878 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.793 122.162 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 0.000 0.000 0.212 524 L C 2.540 179.466 176.870 0.093 0.000 1.080 524 L CA 2.088 57.006 54.840 0.131 0.000 0.754 524 L CB -1.012 41.105 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.033 114.701 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 0.000 0.000 0.217 525 S C 0.745 175.321 174.600 -0.041 0.000 0.966 525 S CA -0.461 57.744 58.200 0.008 0.000 0.914 525 S CB -0.480 62.719 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 0.242 4.582 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 -1.718 53.049 54.840 -0.122 0.000 0.850 526 L CB -0.438 41.514 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.001 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.126 177.300 -0.015 0.000 1.185 527 P CA 0.991 64.067 63.100 -0.040 0.000 0.763 527 P CB 0.695 32.366 31.700 -0.048 0.000 0.776 528 G N 2.044 110.842 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 528 G C 0.314 175.227 174.900 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 1.211 121.431 120.200 0.032 0.000 2.392 529 E HA 0.543 4.893 4.350 0.000 0.000 0.264 529 E C 1.406 178.028 176.600 0.037 0.000 1.024 529 E CA 0.994 57.426 56.400 0.053 0.000 0.903 529 E CB 0.782 30.543 29.700 0.101 0.000 0.963 529 E HN 0.670 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 0.301 4.651 4.350 0.000 0.000 0.283 530 T C 0.578 175.284 174.700 0.011 0.000 0.906 530 T CA -0.454 61.658 62.100 0.020 0.000 0.882 530 T CB 0.042 68.921 68.868 0.019 0.000 1.208 530 T HN 0.277 nan 8.240 nan 0.000 0.561 531 R N 2.167 122.669 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.574 54.518 56.100 -0.014 0.000 1.182 531 R CB 0.040 30.325 30.300 -0.025 0.000 1.084 531 R HN 0.244 nan 8.270 nan 0.000 0.528 532 P HA 0.132 nan 4.420 nan 0.000 0.279 532 P C -1.339 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.071 0.000 0.811 532 P CB 0.652 32.312 31.700 -0.068 0.000 1.035 533 L N 1.936 123.071 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 0.000 0.000 0.277 533 L C -1.378 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.293 54.423 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.753 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.459 125.896 120.570 -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 2.070 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 5.476 126.571 121.223 -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 54.515 54.840 -0.106 0.000 0.845 535 L CB 0.859 42.821 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.346 119.693 119.300 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 -0.090 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 -0.783 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 0.000 0.000 0.281 537 E C -1.378 175.142 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.051 0.000 0.770 537 E CB 1.919 31.474 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.823 119.442 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.157 4.550 0.000 0.000 0.334 538 Y C -0.807 175.260 175.900 0.278 0.000 1.196 538 Y CA -0.756 57.345 58.100 0.001 0.000 1.059 538 Y CB 0.990 39.359 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.143 125.029 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 0.000 0.000 0.289 539 A C -0.325 177.390 177.584 0.218 0.000 1.437 539 A CA 1.001 53.080 52.037 0.071 0.000 0.734 539 A CB -2.531 16.343 19.000 -0.210 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.584 119.826 119.070 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 0.810 57.043 56.048 0.308 0.000 1.416 540 H CB 0.334 30.173 29.762 0.128 0.000 1.523 540 H HN 0.860 nan 8.280 nan 0.000 0.528 541 A N 6.451 129.192 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 0.000 0.000 0.258 541 A C 0.966 178.399 177.584 -0.252 0.000 1.391 541 A CA -0.344 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.300 19.000 -0.211 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.524 120.951 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 0.000 0.000 0.336 542 M C 1.046 177.182 176.300 -0.273 0.000 1.489 542 M CA 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.522 31.957 32.600 -0.201 0.000 1.657 542 M HN 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.311 112.938 108.800 -0.288 0.000 2.527 543 G HA2 -0.336 3.624 3.960 0.000 0.000 0.268 543 G HA3 -0.336 3.624 3.960 0.000 0.000 0.268 543 G C -0.148 174.282 174.900 -0.782 0.000 1.175 543 G CA 0.022 44.793 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 0.277 38.334 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.589 117.120 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 0.000 0.000 0.323 545 S C -0.019 174.503 174.600 -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 4.281 4.340 0.000 0.000 0.404 546 L C 0.487 177.380 176.870 0.037 0.000 1.022 546 L CA 0.955 55.766 54.840 -0.049 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.183 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.878 107.920 108.800 -0.004 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 0.075 0.000 1.288 547 G CA 0.218 45.303 45.100 -0.027 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.815 110.671 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.651 3.960 0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 0.000 0.000 0.236 548 G C 1.132 176.247 174.900 0.359 0.000 0.991 548 G CA 0.750 45.966 45.100 0.193 0.000 0.629 548 G HN 0.788 nan 8.290 nan 0.000 0.517 549 F N 2.198 122.284 119.950 0.227 0.000 2.085 549 F HA -0.039 4.488 4.527 0.000 0.000 0.299 549 F C 2.778 178.808 175.800 0.383 0.000 1.096 549 F CA 2.953 61.152 58.000 0.332 0.000 1.227 549 F CB -0.586 38.535 39.000 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.441 122.546 122.820 0.279 0.000 1.978 550 A HA -0.236 4.084 4.320 0.000 0.000 0.220 550 A C 2.312 179.919 177.584 0.037 0.000 1.170 550 A CA 1.749 53.872 52.037 0.143 0.000 0.636 550 A CB -0.750 18.338 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.548 118.867 120.400 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 2.047 58.261 56.287 -0.121 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 -0.956 119.074 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 552 Y C 2.131 177.080 175.900 -1.584 0.000 1.136 552 Y CA 1.347 58.822 58.100 -1.041 0.000 1.147 552 Y CB -0.423 37.393 38.460 -1.073 0.000 0.987 552 Y HN 0.173 nan 8.280 nan 0.000 0.509 553 W N 0.618 121.491 121.300 -0.712 0.000 2.350 553 W HA -0.232 4.428 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 0.483 120.182 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.113 0.000 0.966 554 Q CA 1.814 57.566 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.214 nan 8.270 nan 0.000 0.439 555 A N 0.754 123.412 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 0.000 0.000 0.217 555 A C 1.935 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.163 53.083 52.037 -0.195 0.000 0.623 555 A CB -1.112 17.646 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.290 119.494 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.274 4.527 0.000 0.000 0.299 556 F C 2.755 178.464 175.800 -0.150 0.000 1.103 556 F CA 1.293 59.100 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.382 39.000 -0.650 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.081 120.649 120.500 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 0.070 0.000 1.103 557 R CA 1.287 57.436 56.100 0.080 0.000 0.983 557 R CB -0.396 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 -0.448 119.425 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 0.000 0.000 0.206 558 Q C -0.609 175.440 176.000 0.082 0.000 0.919 558 Q CA 0.491 56.354 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.375 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.493 120.776 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 0.000 0.000 0.331 559 Y C -1.792 174.083 175.900 -0.041 0.000 0.959 559 Y CA -2.910 55.172 58.100 -0.030 0.000 1.204 559 Y CB 1.550 39.996 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.455 177.300 0.006 0.000 1.158 560 P CA 1.854 64.960 63.100 0.010 0.000 0.887 560 P CB 0.352 32.043 31.700 -0.016 0.000 0.792 561 R N -1.116 119.405 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 0.000 0.000 0.198 561 R C 0.571 176.849 176.300 -0.036 0.000 0.988 561 R CA 0.146 56.246 56.100 0.000 0.000 1.041 561 R CB -0.480 29.829 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.948 123.164 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 0.000 0.000 0.287 562 L C 0.672 177.398 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.811 54.840 -0.098 0.000 0.839 562 L CB 1.271 43.338 42.059 0.015 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.902 122.498 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 0.000 0.000 0.213 563 Q C 0.846 176.445 176.000 -0.668 0.000 0.874 563 Q CA 0.099 55.660 55.803 -0.404 0.000 0.965 563 Q CB 0.906 29.495 28.738 -0.249 0.000 1.074 563 Q HN 0.940 nan 8.270 nan 0.000 0.473 564 G N -0.328 107.714 108.800 -1.264 0.000 2.378 564 G HA2 0.154 4.114 3.960 0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.263 0.000 1.223 564 G CA -0.743 43.316 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.213 106.084 108.800 -0.840 0.000 2.349 565 G HA2 0.654 4.614 3.960 0.000 0.000 0.294 565 G HA3 0.654 4.614 3.960 0.000 0.000 0.294 565 G C -1.854 172.938 174.900 -0.181 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.493 120.678 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 0.000 0.000 0.342 566 F C 0.715 176.823 175.800 0.513 0.000 1.127 566 F CA -0.802 57.462 58.000 0.441 0.000 0.975 566 F CB 2.157 41.316 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.879 123.108 119.914 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 -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.016 32.926 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.360 121.300 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 1.421 31.128 29.460 0.412 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.603 122.648 120.400 -0.592 0.000 2.812 569 D HA 0.114 4.754 4.640 0.000 0.000 0.318 569 D C 0.782 176.865 176.300 -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 -1.645 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.560 121.553 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 0.000 0.000 0.324 570 W C -0.069 176.223 176.519 -0.378 0.000 1.209 570 W CA 1.483 58.582 57.345 -0.409 0.000 1.275 570 W CB 0.114 29.367 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.916 120.627 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 0.000 0.000 0.316 571 V C -0.448 175.452 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.578 121.807 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 0.000 0.000 0.245 572 D C -0.024 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.203 54.081 54.000 -0.202 0.000 0.890 572 D CB 1.349 42.119 40.800 -0.050 0.000 1.201 572 D HN 0.606 nan 8.370 nan 0.000 0.433 573 Q N 0.995 120.585 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 0.000 0.000 0.335 573 Q C -0.349 175.601 176.000 -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 -0.556 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.024 115.804 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 0.000 0.000 0.297 574 S C -0.283 174.492 174.600 0.292 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.562 64.908 63.200 0.242 0.000 1.046 574 S HN 0.318 nan 8.310 nan 0.000 0.506 575 L N 1.772 123.086 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 0.000 0.000 0.269 575 L C -0.431 176.337 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.663 54.840 -0.068 0.000 0.815 575 L CB 1.429 43.331 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.338 121.749 120.570 -0.265 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 -0.655 0.000 0.995 576 I CA 0.009 61.023 61.300 -0.477 0.000 1.306 576 I CB 1.076 38.820 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.232 123.938 120.400 -1.157 0.000 2.466 577 K HA 0.584 4.904 4.320 0.000 0.000 0.260 577 K C -1.782 174.077 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.339 33.885 32.500 -1.591 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.472 120.620 120.300 -0.253 0.000 2.499 578 Y HA 0.180 4.730 4.550 0.000 0.000 0.347 578 Y C -0.077 176.005 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.047 58.100 0.059 0.000 1.044 578 Y CB 1.376 39.845 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.105 120.799 120.400 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 0.691 41.593 40.800 0.171 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.871 121.141 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 0.000 0.000 0.198 580 E C 0.215 176.852 176.600 0.063 0.000 0.998 580 E CA 1.092 57.534 56.400 0.070 0.000 0.818 580 E CB -0.800 28.922 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 0.126 4.866 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 53.926 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 -0.439 174.641 174.900 0.299 0.000 1.036 582 G CA -0.265 44.910 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.113 120.012 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 0.000 0.000 0.282 583 N C -2.471 173.234 175.510 0.325 0.000 1.037 583 N CA -1.489 51.747 53.050 0.309 0.000 0.942 583 N CB 2.057 40.665 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.585 176.640 177.300 -0.125 0.000 1.253 584 P CA -0.366 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.675 32.162 31.700 -0.355 0.000 0.961 585 W N -0.214 120.826 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 0.000 0.000 0.314 585 W C -1.475 174.847 176.519 -0.328 0.000 1.238 585 W CA -0.995 56.123 57.345 -0.379 0.000 1.193 585 W CB 0.195 29.290 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.933 117.634 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 0.000 0.000 0.278 586 S C 0.264 174.966 174.600 0.172 0.000 1.259 586 S CA -0.160 58.052 58.200 0.021 0.000 1.061 586 S CB 0.891 64.166 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.818 125.618 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 0.000 0.000 0.334 587 A C -0.622 177.221 177.584 0.430 0.000 1.139 587 A CA -0.789 51.297 52.037 0.082 0.000 0.830 587 A CB 0.717 19.543 19.000 -0.289 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.103 119.524 120.300 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 0.568 0.000 1.526 588 Y CA -1.326 57.077 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 1.000 nan 8.280 nan 0.000 0.491 589 G N 0.086 109.267 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 0.000 0.000 0.239 589 G C 1.027 176.263 174.900 0.559 0.000 1.200 589 G CA 0.574 45.993 45.100 0.531 0.000 0.888 589 G HN 2.041 nan 8.290 nan 0.000 0.482 590 G N 2.308 111.402 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 590 G C 0.916 176.033 174.900 0.361 0.000 0.987 590 G CA 0.764 46.094 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 0.000 0.000 0.222 591 D C 1.263 177.459 176.300 -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 0.515 39.591 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.601 109.564 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.656 3.960 0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 0.000 0.000 0.265 593 G C -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.323 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.531 121.130 120.400 0.332 0.000 2.450 594 D HA 0.403 5.043 4.640 0.000 0.000 0.247 594 D C -0.015 176.418 176.300 0.221 0.000 1.162 594 D CA 0.654 54.837 54.000 0.304 0.000 0.879 594 D CB 1.131 42.173 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.387 117.039 114.554 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 2.002 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.098 176.192 177.300 -0.016 0.000 1.276 596 P CA -0.665 62.437 63.100 0.002 0.000 0.801 596 P CB 0.749 32.423 31.700 -0.043 0.000 1.127 597 N N -1.283 117.408 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 0.000 0.000 0.259 597 N C -1.271 174.203 175.510 -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 0.210 120.552 120.400 -0.097 0.000 2.772 598 D HA 0.148 4.788 4.640 0.000 0.000 0.272 598 D C 0.595 177.126 176.300 0.384 0.000 1.314 598 D CA -0.218 53.800 54.000 0.031 0.000 0.835 598 D CB 0.846 41.490 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.296 120.998 120.500 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 0.642 120.125 119.800 -0.529 0.000 2.437 600 Q HA 0.104 4.444 4.340 0.000 0.000 0.210 600 Q C 1.811 177.526 176.000 -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 0.680 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 0.000 0.000 0.302 601 F C 1.876 177.625 175.800 -0.085 0.000 1.063 601 F CA 1.043 59.031 58.000 -0.020 0.000 1.362 601 F CB -0.442 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 1.002 175.796 174.990 -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 24.946 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.157 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 0.000 0.000 0.342 603 M C -0.433 175.753 176.300 -0.191 0.000 1.031 603 M CA 0.232 55.414 55.300 -0.197 0.000 0.981 603 M CB 0.394 32.901 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 0.036 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 0.000 0.000 0.289 605 G C 0.879 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.261 45.100 -0.557 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.416 120.348 121.223 -0.765 0.000 2.446 606 L HA 0.165 4.505 4.340 0.000 0.000 0.219 606 L C 0.690 176.918 176.870 -1.070 0.000 1.116 606 L CA 0.237 54.628 54.840 -0.748 0.000 0.844 606 L CB -0.143 41.644 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.230 113.947 119.914 -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 60.471 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 1.251 121.062 119.950 -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 1.407 40.413 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.214 124.113 122.820 0.131 0.000 1.997 609 A HA -0.293 4.027 4.320 0.000 0.000 0.221 609 A C 1.612 179.158 177.584 -0.063 0.000 1.172 609 A CA 2.180 54.230 52.037 0.022 0.000 0.645 609 A CB -1.148 17.895 19.000 0.071 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.894 117.491 120.400 -0.026 0.000 2.378 610 D HA 0.117 4.757 4.640 0.000 0.000 0.227 610 D C 0.637 176.915 176.300 -0.037 0.000 1.012 610 D CA 0.363 54.323 54.000 -0.066 0.000 0.905 610 D CB -0.143 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.034 119.445 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 0.000 0.000 0.292 611 R C -0.781 175.505 176.300 -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 2.433 71.388 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.009 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 -1.191 174.030 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.713 56.048 -0.355 0.000 1.290 614 H CB 0.860 30.379 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 0.188 123.006 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.685 53.685 52.037 -0.061 0.000 0.642 616 A CB -1.751 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.017 121.204 121.223 -0.060 0.000 2.089 617 L HA -0.209 4.131 4.340 0.000 0.000 0.213 617 L C 2.493 179.398 176.870 0.058 0.000 1.079 617 L CA 2.835 57.670 54.840 -0.008 0.000 0.758 617 L CB -1.011 41.043 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.335 113.258 114.554 0.065 0.000 2.737 618 T HA -0.208 4.142 4.350 0.000 0.000 0.265 618 T C 1.714 176.514 174.700 0.168 0.000 1.038 618 T CA 1.357 63.547 62.100 0.149 0.000 1.144 618 T CB -0.238 68.702 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.545 121.794 120.200 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 1.406 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 0.993 123.740 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 0.000 0.000 0.217 620 A C 2.187 179.695 177.584 -0.128 0.000 1.191 620 A CA 2.216 54.156 52.037 -0.161 0.000 0.623 620 A CB -0.774 18.116 19.000 -0.184 0.000 0.826 620 A HN 0.310 nan 8.150 nan 0.000 0.444 621 K N -1.296 119.092 120.400 -0.020 0.000 2.044 621 K HA -0.310 4.010 4.320 0.000 0.000 0.210 621 K C 2.065 178.577 176.600 -0.148 0.000 1.049 621 K CA 2.160 58.436 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.243 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.430 119.347 119.070 -0.256 0.000 2.293 622 H HA -0.057 4.499 4.556 0.000 0.000 0.300 622 H C 1.947 176.995 175.328 -0.467 0.000 1.082 622 H CA 1.987 57.687 56.048 -0.580 0.000 1.308 622 H CB -0.108 29.349 29.762 -0.508 0.000 1.375 622 H HN 0.248 nan 8.280 nan 0.000 0.495 623 Q N 0.248 119.751 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 0.000 0.000 0.206 623 Q C 1.721 177.167 176.000 -0.923 0.000 0.976 623 Q CA 1.350 56.772 55.803 -0.636 0.000 0.875 623 Q CB -0.041 28.437 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.571 119.832 119.800 -0.898 0.000 2.319 624 Q HA 0.038 4.378 4.340 0.000 0.000 0.202 624 Q C 0.066 175.512 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.302 28.423 28.738 -1.029 0.000 1.083 624 Q HN 0.466 nan 8.270 nan 0.000 0.510 625 Q N -0.416 118.981 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 0.000 0.000 0.288 625 Q C -0.241 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.915 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.221 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.152 119.543 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 0.000 0.000 0.302 626 F C -0.131 175.106 175.800 -0.939 0.000 1.130 626 F CA 0.013 57.519 58.000 -0.824 0.000 1.387 626 F CB 0.428 38.581 39.000 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.069 119.911 119.950 -0.181 0.000 2.532 627 F HA 0.490 5.017 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 -1.077 56.730 58.000 -0.321 0.000 0.926 627 F CB 1.370 40.200 39.000 -0.283 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.078 122.606 119.800 -0.454 0.000 2.353 628 Q HA 0.514 4.854 4.340 0.000 0.000 0.268 628 Q C -1.458 174.198 176.000 -0.573 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.054 31.685 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.464 120.539 119.950 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 -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.905 41.224 39.000 0.531 0.000 1.175 629 F HN 0.113 nan 8.300 nan 0.000 0.468 630 R N 1.759 122.569 120.500 0.518 0.000 2.621 630 R HA 0.623 4.963 4.340 0.000 0.000 0.284 630 R C -2.005 174.359 176.300 0.107 0.000 0.998 630 R CA -1.173 55.127 56.100 0.334 0.000 0.895 630 R CB 2.668 33.072 30.300 0.174 0.000 1.195 630 R HN 0.553 nan 8.270 nan 0.000 0.450 631 L N 1.376 122.550 121.223 -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 0.086 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.947 43.286 42.059 -1.200 0.000 1.247 631 L HN 0.485 nan 8.230 nan 0.000 0.416 632 S N 3.786 119.360 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 0.000 0.000 0.286 632 S C 0.447 174.961 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.253 63.408 63.200 -0.076 0.000 1.036 632 S HN 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.317 113.031 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 0.000 0.000 0.315 633 G C 0.436 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.715 45.736 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.347 121.056 119.800 -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 0.841 29.490 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.809 115.260 114.554 -0.171 0.000 2.797 635 T HA 0.539 4.889 4.350 0.000 0.000 0.279 635 T C 0.081 174.685 174.700 -0.161 0.000 0.991 635 T CA -0.391 61.624 62.100 -0.142 0.000 0.979 635 T CB 1.579 70.395 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.402 122.900 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 0.000 0.000 0.292 636 I C 0.475 176.624 176.117 0.053 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.064 0.000 1.227 636 I CB 1.426 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 6.510 126.768 120.200 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 3.640 123.633 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 0.000 0.000 0.302 638 V C -0.158 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.073 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 -0.297 174.397 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 62.100 -0.015 0.000 0.977 639 T CB 1.689 70.529 68.868 -0.047 0.000 0.996 639 T HN 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.552 117.253 115.700 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 -0.182 0.000 1.163 640 S CA -0.585 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 -0.345 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 -0.247 0.000 1.027 641 E CA -0.069 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.287 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 -0.308 57.657 58.100 -0.225 0.000 1.280 642 Y CB 0.997 39.300 38.460 -0.260 0.000 1.234 642 Y HN -0.032 nan 8.280 nan 0.000 0.512 643 L N 1.441 122.501 121.223 -0.272 0.000 2.408 643 L HA 0.061 4.401 4.340 0.000 0.000 0.215 643 L C 0.666 177.077 176.870 -0.765 0.000 1.081 643 L CA 0.746 55.172 54.840 -0.690 0.000 0.840 643 L CB 0.050 41.289 42.059 -1.366 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.401 119.555 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 0.000 0.000 0.305 644 F C 1.388 177.159 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.360 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 -0.075 120.452 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 0.000 0.000 0.261 645 R C -1.118 175.183 176.300 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 -0.417 118.624 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 0.000 0.000 0.338 646 H C -0.311 175.037 175.328 0.033 0.000 1.155 646 H CA -0.478 55.582 56.048 0.019 0.000 1.237 646 H CB 1.544 31.324 29.762 0.031 0.000 1.534 646 H HN 0.744 nan 8.280 nan 0.000 0.523 647 S N 2.299 117.807 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 0.000 0.000 0.180 647 S C 0.175 174.858 174.600 0.139 0.000 1.242 647 S CA 0.014 58.227 58.200 0.023 0.000 0.947 647 S CB -0.984 62.229 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 0.423 176.783 176.300 0.101 0.000 1.094 648 D CA -0.200 53.901 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 0.012 118.771 118.700 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 0.108 120.356 120.200 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 3.536 124.769 121.223 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 -0.924 53.943 54.840 0.046 0.000 0.818 651 L CB 1.522 43.609 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.069 126.377 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 0.000 0.000 0.286 652 L C -0.703 176.374 176.870 0.345 0.000 1.024 652 L CA 0.039 54.993 54.840 0.191 0.000 0.826 652 L CB 0.446 42.624 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.808 124.926 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 0.000 0.000 0.326 653 H C -1.119 174.269 175.328 0.100 0.000 1.094 653 H CA -0.735 55.316 56.048 0.006 0.000 1.253 653 H CB 0.944 30.681 29.762 -0.042 0.000 1.439 653 H HN 0.704 nan 8.280 nan 0.000 0.479 654 W N 3.607 124.978 121.300 0.119 0.000 2.929 654 W HA 0.589 5.249 4.660 0.000 0.000 0.345 654 W C -1.481 175.073 176.519 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 31.127 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.194 121.165 119.600 0.618 0.000 2.569 655 M HA 0.539 5.019 4.480 0.000 0.000 0.287 655 M C -2.643 173.912 176.300 0.425 0.000 1.130 655 M CA -0.562 54.976 55.300 0.397 0.000 0.885 655 M CB 1.735 34.339 32.600 0.006 0.000 1.759 655 M HN 0.126 nan 8.290 nan 0.000 0.515 656 V N 2.346 122.490 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 0.000 0.000 0.299 656 V C -0.188 176.020 176.094 0.190 0.000 1.035 656 V CA 0.049 62.522 62.300 0.287 0.000 0.889 656 V CB 1.295 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 4.101 127.041 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 0.000 0.000 0.295 657 A C -1.734 175.975 177.584 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 1.450 122.764 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 0.000 0.000 0.287 658 L C -0.391 176.578 176.870 0.166 0.000 1.023 658 L CA 0.246 55.189 54.840 0.171 0.000 0.819 658 L CB 0.333 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 4.739 125.305 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.184 177.512 176.300 0.046 0.000 1.161 659 D CA 1.588 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 1.172 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 45.272 45.100 -0.180 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.208 122.587 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 0.000 0.000 0.277 661 K C -2.564 174.036 176.600 0.001 0.000 1.053 661 K CA -2.050 54.221 56.287 -0.027 0.000 0.892 661 K CB 1.817 34.313 32.500 -0.007 0.000 1.102 661 K HN 0.096 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.037 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 1.304 122.557 121.223 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 0.111 54.986 54.840 0.058 0.000 0.897 663 L CB 0.326 42.433 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.084 122.797 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 0.000 0.000 0.296 664 A C -0.941 176.619 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.777 52.037 0.121 0.000 0.693 664 A CB 1.411 20.621 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.359 115.059 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 0.000 0.000 0.283 665 S C -0.071 173.506 174.600 -1.705 0.000 1.127 665 S CA -0.340 57.220 58.200 -1.066 0.000 0.863 665 S CB 2.026 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.248 108.800 -2.258 0.000 2.677 666 G HA2 0.623 4.583 3.960 0.000 0.000 0.291 666 G HA3 0.623 4.583 3.960 0.000 0.000 0.291 666 G C -2.160 172.204 174.900 -0.893 0.000 1.435 666 G CA -0.598 43.591 45.100 -1.519 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.537 119.491 120.200 -0.286 0.000 2.246 667 E HA 0.610 4.960 4.350 0.000 0.000 0.266 667 E C -1.356 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.592 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.732 125.769 119.914 0.205 0.000 2.668 668 V HA 0.432 4.552 4.120 0.000 0.000 0.304 668 V C -2.425 173.763 176.094 0.157 0.000 1.071 668 V CA -1.841 60.570 62.300 0.185 0.000 0.894 668 V CB 2.057 34.006 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.255 nan 4.420 nan 0.000 0.276 669 P C -0.674 176.683 177.300 0.094 0.000 1.235 669 P CA -0.036 63.125 63.100 0.101 0.000 0.772 669 P CB 0.856 32.611 31.700 0.092 0.000 0.871 670 L N 3.113 124.378 121.223 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 0.232 55.102 54.840 0.050 0.000 0.808 670 L CB 0.572 42.609 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.253 122.704 120.400 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 0.520 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 0.000 0.000 0.306 672 V C 0.518 176.373 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.775 62.300 -0.179 0.000 0.885 672 V CB 1.423 33.268 31.823 0.036 0.000 0.999 672 V HN 0.435 nan 8.190 nan 0.000 0.424 673 A N 5.601 128.396 122.820 -0.042 0.000 2.371 673 A HA 0.770 5.090 4.320 0.000 0.000 0.257 673 A C -2.294 175.319 177.584 0.049 0.000 1.089 673 A CA -1.536 50.564 52.037 0.105 0.000 0.794 673 A CB -0.163 18.942 19.000 0.174 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.396 176.903 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.838 63.100 0.027 0.000 0.759 674 P CB 0.140 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.237 118.546 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.009 0.000 0.874 675 Q CA 1.377 57.157 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.260 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.289 109.098 108.800 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 -0.833 175.803 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.378 34.900 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.330 123.172 119.800 0.069 0.000 2.323 678 Q HA 0.376 4.716 4.340 0.000 0.000 0.271 678 Q C -1.558 174.486 176.000 0.073 0.000 1.048 678 Q CA -0.674 55.173 55.803 0.074 0.000 0.792 678 Q CB 1.373 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.096 126.354 121.223 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 43.276 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.068 123.654 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 0.000 0.000 0.286 680 I C -0.289 175.801 176.117 -0.045 0.000 1.009 680 I CA -0.739 60.569 61.300 0.012 0.000 1.111 680 I CB 2.029 40.056 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.599 126.775 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 0.000 0.000 0.282 681 E C -0.641 175.890 176.600 -0.116 0.000 1.046 681 E CA -0.302 56.056 56.400 -0.069 0.000 0.857 681 E CB 1.364 31.041 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.162 127.279 121.223 -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 -1.901 52.777 54.840 -0.270 0.000 0.805 682 L CB 1.217 43.037 42.059 -0.397 0.000 1.174 682 L HN 0.232 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 0.505 32.213 31.700 0.014 0.000 0.923 684 E N 0.998 121.170 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 4.350 0.000 0.000 0.259 684 E C -0.199 176.378 176.600 -0.038 0.000 0.966 684 E CA 0.287 56.660 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 -2.150 52.667 54.840 -0.039 0.000 0.803 685 L CB 0.629 42.644 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.114 nan 4.420 nan 0.000 0.271 686 P C -1.087 176.223 177.300 0.017 0.000 1.216 686 P CA -0.314 62.802 63.100 0.027 0.000 0.776 686 P CB 0.651 32.382 31.700 0.050 0.000 0.881 687 Q N 2.326 122.134 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 0.000 0.000 0.288 687 Q C -2.130 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.210 55.803 0.008 0.000 0.849 687 Q CB 0.101 28.838 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.147 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.990 31.700 0.034 0.000 0.837 689 E N 0.201 120.413 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 0.000 0.000 0.191 689 E C 0.540 177.153 176.600 0.022 0.000 0.962 689 E CA 0.494 56.905 56.400 0.018 0.000 0.826 689 E CB -0.590 29.119 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.529 117.245 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.178 58.398 58.200 0.032 0.000 1.037 690 S CB 0.441 63.661 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.397 124.241 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 0.000 0.000 0.269 691 A C 0.865 178.486 177.584 0.061 0.000 1.094 691 A CA 0.209 52.273 52.037 0.045 0.000 0.807 691 A CB 0.002 19.030 19.000 0.047 0.000 1.047 691 A HN 1.864 nan 8.150 nan 0.000 0.487 692 G N -0.243 108.596 108.800 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 44.266 45.100 0.093 0.000 0.940 692 G HN 0.849 nan 8.290 nan 0.000 0.536 693 Q N -0.609 119.270 119.800 0.131 0.000 2.290 693 Q HA 0.595 4.935 4.340 0.000 0.000 0.259 693 Q C -0.668 175.418 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.089 30.902 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.028 125.225 121.223 -0.044 0.000 2.264 694 L HA 0.478 4.818 4.340 0.000 0.000 0.289 694 L C -1.784 175.061 176.870 -0.043 0.000 1.044 694 L CA 0.052 54.918 54.840 0.044 0.000 0.807 694 L CB 0.413 42.471 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.415 126.780 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 0.000 0.000 0.337 695 W C -1.062 175.562 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.682 31.254 29.460 0.187 0.000 1.416 695 W HN 0.278 nan 8.180 nan 0.000 0.503 696 L N 2.920 124.442 121.223 0.499 0.000 2.295 696 L HA 0.811 5.151 4.340 0.000 0.000 0.285 696 L C -0.375 176.799 176.870 0.508 0.000 1.035 696 L CA 0.099 55.201 54.840 0.437 0.000 0.806 696 L CB 1.340 43.601 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.839 119.636 114.554 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 0.318 0.000 0.978 697 T CB 1.610 70.601 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.544 121.591 119.914 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 1.898 122.474 120.500 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 3.125 123.119 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 0.000 0.000 0.295 700 V C -0.612 175.493 176.094 0.019 0.000 1.025 700 V CA -0.680 61.665 62.300 0.075 0.000 0.859 700 V CB 1.733 33.620 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.226 124.095 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 0.000 0.000 0.312 701 V C -0.428 175.665 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.996 33.669 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.887 123.718 119.800 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 -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.812 30.623 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.532 176.769 177.300 0.002 0.000 1.163 703 P CA 1.403 64.512 63.100 0.015 0.000 0.889 703 P CB 0.264 31.980 31.700 0.027 0.000 0.790 704 N N -0.772 117.924 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 0.000 0.000 0.291 704 N C -0.224 175.243 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.804 39.278 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.740 123.508 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 0.000 0.000 0.255 705 A C 0.579 178.039 177.584 -0.206 0.000 1.099 705 A CA -0.101 51.842 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.868 110.473 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 0.000 0.000 0.287 706 T C 0.875 175.383 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.935 62.100 -0.391 0.000 1.010 706 T CB 1.101 69.487 68.868 -0.804 0.000 1.264 706 T HN 1.428 nan 8.240 nan 0.000 0.532 707 A N -0.051 122.682 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 0.000 0.000 0.218 707 A C 1.558 179.254 177.584 0.186 0.000 1.154 707 A CA 1.106 53.196 52.037 0.090 0.000 0.679 707 A CB -0.866 18.281 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.952 120.395 121.300 0.079 0.000 2.714 708 W HA 0.431 5.091 4.660 0.000 0.000 0.353 708 W C -0.174 176.306 176.519 -0.065 0.000 0.999 708 W CA 0.440 57.792 57.345 0.013 0.000 1.629 708 W CB -1.131 28.325 29.460 -0.007 0.000 1.106 708 W HN 0.419 nan 8.180 nan 0.000 0.545 709 S N 0.232 115.447 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 0.000 0.000 0.271 709 S C -0.499 173.834 174.600 -0.444 0.000 1.133 709 S CA -0.631 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.768 65.123 63.200 -1.410 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.882 120.935 120.200 -0.245 0.000 2.369 710 E HA 0.516 4.866 4.350 0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.369 55.962 56.400 -0.114 0.000 0.932 710 E CB 0.943 30.627 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.341 122.451 122.820 -0.047 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 52.477 52.037 -0.024 0.000 0.798 711 A CB 0.021 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 0.011 108.824 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 712 G C 0.103 175.037 174.900 0.058 0.000 1.005 712 G CA 0.738 45.852 45.100 0.022 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.171 119.230 119.070 -0.017 0.000 2.732 713 H HA 0.514 5.070 4.556 0.000 0.000 0.351 713 H C 0.458 175.829 175.328 0.070 0.000 1.090 713 H CA -0.631 55.433 56.048 0.025 0.000 1.431 713 H CB 0.341 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 4.737 125.029 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 0.000 0.000 0.291 714 I C 1.161 177.103 176.117 -0.292 0.000 1.019 714 I CA 0.065 61.211 61.300 -0.258 0.000 1.302 714 I CB 0.629 38.554 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.046 119.789 115.700 0.072 0.000 2.505 715 S HA 0.631 5.101 4.470 0.000 0.000 0.216 715 S C 0.559 175.399 174.600 0.400 0.000 1.018 715 S CA 0.168 58.548 58.200 0.300 0.000 0.911 715 S CB 0.616 64.113 63.200 0.495 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.499 123.584 122.820 0.443 0.000 2.605 716 A HA 0.652 4.972 4.320 0.000 0.000 0.294 716 A C -1.759 176.162 177.584 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 19.687 19.000 0.486 0.000 1.278 716 A HN 0.897 nan 8.150 nan 0.000 0.410 717 W N 0.109 121.560 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 0.000 0.000 0.343 717 W C -1.133 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.223 30.670 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.663 121.484 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 0.000 0.000 0.273 718 Q C -1.635 174.144 176.000 -0.367 0.000 0.975 718 Q CA -0.596 55.060 55.803 -0.245 0.000 0.876 718 Q CB 2.180 30.637 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.941 122.479 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 0.000 0.000 0.283 719 Q C -1.373 174.516 176.000 -0.185 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.167 0.000 0.801 719 Q CB 1.788 30.614 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.505 123.001 121.300 0.326 0.000 3.033 720 W HA 0.468 5.128 4.660 0.000 0.000 0.336 720 W C -0.521 176.052 176.519 0.090 0.000 1.173 720 W CA -0.829 56.644 57.345 0.213 0.000 1.185 720 W CB 2.170 31.684 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.365 122.814 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 0.000 0.000 0.339 721 R C 0.738 176.831 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.594 30.070 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.724 123.793 121.223 -0.257 0.000 2.049 722 L HA 0.196 4.536 4.340 0.000 0.000 0.203 722 L C 0.939 177.713 176.870 -0.162 0.000 1.074 722 L CA 1.031 55.784 54.840 -0.145 0.000 0.749 722 L CB -0.200 41.815 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.825 121.882 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 0.000 0.000 0.291 723 A C -1.442 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.923 20.874 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.135 120.278 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 0.000 0.000 0.277 724 E C -1.814 174.769 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.377 31.033 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.423 123.120 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 0.000 0.000 0.248 725 N C -0.649 174.872 175.510 0.018 0.000 0.986 725 N CA -0.332 52.722 53.050 0.007 0.000 0.921 725 N CB 1.071 39.568 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.815 122.048 121.223 0.015 0.000 2.490 726 L HA 0.067 4.407 4.340 0.000 0.000 0.274 726 L C 1.154 178.042 176.870 0.030 0.000 1.201 726 L CA 0.292 55.147 54.840 0.025 0.000 0.869 726 L CB 0.506 42.577 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.059 117.783 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 0.000 0.000 0.282 727 S C 0.519 175.142 174.600 0.037 0.000 1.170 727 S CA -0.912 57.312 58.200 0.041 0.000 1.054 727 S CB 0.721 63.951 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.790 122.723 119.914 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 -1.147 30.690 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 -0.534 174.185 174.700 0.032 0.000 0.992 729 T CA -0.593 61.526 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 52.741 54.840 0.029 0.000 0.815 730 L CB 0.649 42.723 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.271 nan 4.420 nan 0.000 0.267 731 P C -0.477 176.835 177.300 0.020 0.000 1.209 731 P CA -0.337 62.777 63.100 0.024 0.000 0.763 731 P CB 0.860 32.574 31.700 0.024 0.000 0.816 732 A N 3.305 126.134 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 0.000 0.000 0.243 732 A C 0.711 178.302 177.584 0.012 0.000 1.082 732 A CA -0.051 51.997 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.083 123.922 122.820 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 -0.013 0.000 1.074 733 A CA 0.457 52.518 52.037 0.040 0.000 0.774 733 A CB -0.363 18.689 19.000 0.087 0.000 1.015 733 A HN 1.545 nan 8.150 nan 0.000 0.498 734 S N 0.154 115.846 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.985 4.470 0.000 0.000 0.297 734 S C 0.061 174.685 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.903 64.072 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.239 119.318 119.070 0.016 0.000 2.539 735 H HA 0.610 5.166 4.556 0.000 0.000 0.267 735 H C 0.652 175.987 175.328 0.012 0.000 0.982 735 H CA 0.443 56.498 56.048 0.012 0.000 1.146 735 H CB -0.296 29.473 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.584 123.465 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 0.000 0.000 0.292 736 A C -1.134 176.479 177.584 0.048 0.000 1.139 736 A CA -0.715 51.364 52.037 0.069 0.000 0.665 736 A CB 1.340 20.380 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.631 118.967 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 0.000 0.000 0.298 737 I C -2.908 173.249 176.117 0.067 0.000 1.176 737 I CA -2.546 58.779 61.300 0.042 0.000 1.025 737 I CB 2.452 40.467 38.000 0.026 0.000 1.243 737 I HN 0.403 nan 8.210 nan 0.000 0.424 738 P HA -0.028 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.086 177.300 0.154 0.000 1.195 738 P CA 0.479 63.638 63.100 0.098 0.000 0.773 738 P CB 0.148 31.859 31.700 0.019 0.000 0.837 739 H N 2.038 121.137 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 0.000 0.000 0.325 739 H C -0.749 174.605 175.328 0.042 0.000 1.012 739 H CA -1.143 54.925 56.048 0.034 0.000 1.213 739 H CB 0.862 30.645 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.444 125.627 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.397 55.141 54.840 -0.160 0.000 0.813 740 L CB 1.393 43.398 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.545 117.018 114.554 -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 -0.555 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 0.724 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.114 114.554 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 0.121 0.000 0.993 742 T CA -0.520 61.727 62.100 0.245 0.000 0.994 742 T CB 1.297 70.325 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 4.770 4.470 0.000 0.000 0.273 743 S C 0.422 174.996 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.182 64.385 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 0.940 57.301 56.400 -0.066 0.000 0.814 744 E CB -0.067 29.610 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.913 120.457 119.600 -0.092 0.000 2.476 745 M HA 0.100 4.580 4.480 0.000 0.000 0.262 745 M C -0.127 176.087 176.300 -0.144 0.000 1.111 745 M CA 0.809 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 0.444 5.084 4.640 0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.628 41.422 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.583 124.918 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 0.000 0.000 0.268 750 E C -1.774 174.988 176.600 0.270 0.000 0.885 750 E CA -0.834 55.701 56.400 0.225 0.000 0.767 750 E CB 2.791 32.546 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.141 125.515 121.223 0.251 0.000 2.811 751 L HA 0.460 4.800 4.340 0.000 0.000 0.251 751 L C -0.107 176.835 176.870 0.121 0.000 0.971 751 L CA 0.769 55.738 54.840 0.214 0.000 0.990 751 L CB 0.959 43.204 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.659 112.502 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.969 119.649 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 0.000 0.000 0.181 753 N C 0.795 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.430 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 0.362 120.679 120.400 -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 -0.344 0.000 0.958 754 K CB 1.141 33.368 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.859 122.043 120.500 -0.527 0.000 2.626 755 R HA 0.368 4.708 4.340 0.000 0.000 0.274 755 R C -1.653 174.518 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.225 124.624 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 0.000 0.000 0.335 756 W C -0.716 175.883 176.519 0.133 0.000 1.083 756 W CA -0.562 56.838 57.345 0.092 0.000 1.233 756 W CB 2.239 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 2.479 122.418 119.800 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 1.911 30.836 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.761 122.799 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 0.000 0.000 0.355 758 F C 0.524 176.340 175.800 0.027 0.000 1.123 758 F CA -0.870 57.182 58.000 0.088 0.000 1.021 758 F CB 1.441 40.506 39.000 0.108 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.642 122.436 118.700 0.156 0.000 2.475 759 N HA 0.052 4.792 4.740 0.000 0.000 0.267 759 N C 0.880 176.389 175.510 -0.002 0.000 1.169 759 N CA 0.077 53.165 53.050 0.064 0.000 0.947 759 N CB 0.749 39.285 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.370 122.793 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 0.000 0.000 0.203 760 R C 1.126 177.350 176.300 -0.127 0.000 1.017 760 R CA 0.998 56.966 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.400 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.660 119.099 119.800 -0.068 0.000 2.204 761 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 761 Q C 2.081 178.061 176.000 -0.035 0.000 0.946 761 Q CA 1.523 57.297 55.803 -0.048 0.000 0.859 761 Q CB 0.346 29.074 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.406 114.300 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 0.000 0.000 0.223 762 S C 1.619 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.507 58.734 58.200 0.045 0.000 0.937 762 S CB 0.130 63.482 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.380 109.100 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 763 G C -0.096 174.666 174.900 -0.230 0.000 0.981 763 G CA 0.372 45.368 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.309 118.820 119.950 0.298 0.000 2.541 764 F HA 0.683 5.210 4.527 0.000 0.000 0.331 764 F C 0.512 176.371 175.800 0.100 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.316 40.413 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.536 122.853 121.223 0.158 0.000 2.485 765 L HA 0.221 4.561 4.340 0.000 0.000 0.279 765 L C 0.583 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.118 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 0.107 4.577 4.470 0.000 0.000 0.225 766 S C 0.456 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.427 58.588 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 -0.245 119.408 119.800 -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 1.408 29.760 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.074 119.224 119.600 -0.751 0.000 2.465 768 M HA 0.771 5.251 4.480 0.000 0.000 0.284 768 M C -1.952 173.936 176.300 -0.687 0.000 1.212 768 M CA -0.329 54.621 55.300 -0.583 0.000 0.910 768 M CB 1.962 34.242 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.039 124.110 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 0.000 0.000 0.343 769 W C -1.534 174.781 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 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 2.418 122.991 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 0.000 0.000 0.281 770 I C 0.727 176.837 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.075 0.000 1.111 770 I CB 1.131 39.057 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 0.291 175.211 174.900 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 0.611 177.044 176.300 0.222 0.000 1.093 772 D CA 0.213 54.278 54.000 0.108 0.000 0.837 772 D CB 0.246 41.068 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.024 121.525 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 0.000 0.000 0.277 773 K C -0.006 176.564 176.600 -0.050 0.000 1.038 773 K CA -0.470 55.856 56.287 0.064 0.000 0.888 773 K CB 1.714 34.209 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.909 122.190 120.400 -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 -0.186 55.757 56.287 -0.574 0.000 0.953 774 K CB 0.689 32.908 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 -0.125 175.782 176.000 -0.155 0.000 0.863 775 Q CA 0.429 56.118 55.803 -0.190 0.000 0.939 775 Q CB 0.515 29.192 28.738 -0.102 0.000 1.108 775 Q HN 0.469 nan 8.270 nan 0.000 0.522 776 L N 0.354 121.433 121.223 -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 0.066 121.157 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 0.000 0.000 0.220 777 L C 0.578 177.335 176.870 -0.188 0.000 1.106 777 L CA 0.741 55.456 54.840 -0.209 0.000 0.851 777 L CB 0.273 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 -0.259 114.172 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.091 0.000 1.119 778 T CA -1.277 60.745 62.100 -0.131 0.000 1.008 778 T CB 2.324 71.091 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.764 176.508 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.345 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.010 0.000 0.923 780 L N 3.914 125.145 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 0.000 0.000 0.279 780 L C 0.542 177.358 176.870 -0.089 0.000 1.108 780 L CA 0.459 55.331 54.840 0.054 0.000 0.852 780 L CB -0.782 41.417 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.352 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 0.000 0.000 0.270 781 R C -1.085 175.094 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.897 121.207 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 0.000 0.000 0.238 782 D C -0.638 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.554 54.335 54.000 -0.366 0.000 0.884 782 D CB 0.704 41.295 40.800 -0.348 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.641 120.853 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.650 4.340 0.000 0.000 0.270 783 Q C -1.210 174.057 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.870 0.000 0.812 783 Q CB 0.850 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.573 120.194 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 0.000 0.000 0.313 784 F C 0.883 176.303 175.800 -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 39.893 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.794 113.505 114.554 -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 -0.562 0.000 1.007 785 T CB 2.584 71.071 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.540 119.753 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 0.000 0.000 0.272 786 R C -1.162 175.182 176.300 0.075 0.000 1.000 786 R CA -1.183 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.391 126.244 122.820 0.054 0.000 2.444 787 A HA 0.325 4.645 4.320 0.000 0.000 0.287 787 A C -2.029 175.613 177.584 0.097 0.000 1.195 787 A CA -1.553 50.520 52.037 0.059 0.000 0.858 787 A CB -0.469 18.517 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.050 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 0.765 64.016 63.100 0.251 0.000 0.758 788 P CB 0.225 32.098 31.700 0.289 0.000 0.763 789 L N 2.469 123.766 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 0.000 0.000 0.256 789 L C 1.855 178.740 176.870 0.024 0.000 1.136 789 L CA -0.585 54.267 54.840 0.019 0.000 0.804 789 L CB 0.071 42.075 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.437 120.792 120.400 -0.075 0.000 2.116 790 D HA -0.171 4.469 4.640 0.000 0.000 0.193 790 D C 1.631 177.866 176.300 -0.108 0.000 0.998 790 D CA 1.500 55.390 54.000 -0.183 0.000 0.836 790 D CB 0.045 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 1.136 119.786 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 0.000 0.000 0.186 791 N C 1.192 176.724 175.510 0.036 0.000 1.015 791 N CA 0.782 53.815 53.050 -0.029 0.000 0.862 791 N CB -0.296 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.174 120.611 120.400 0.060 0.000 2.264 792 D HA 0.013 4.653 4.640 0.000 0.000 0.208 792 D C 1.893 178.262 176.300 0.114 0.000 0.966 792 D CA 0.431 54.510 54.000 0.131 0.000 0.864 792 D CB 0.152 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 -0.415 120.201 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 0.000 0.000 0.256 793 I C 1.893 178.045 176.117 0.058 0.000 1.115 793 I CA 0.604 61.940 61.300 0.059 0.000 1.446 793 I CB -0.148 37.865 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.422 110.269 108.800 0.077 0.000 2.565 794 G HA2 -0.353 3.607 3.960 0.000 0.000 0.295 794 G HA3 -0.353 3.607 3.960 0.000 0.000 0.295 794 G C 0.690 175.757 174.900 0.279 0.000 1.165 794 G CA 0.935 46.144 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.212 117.806 119.914 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 4.831 4.470 0.000 0.000 0.282 796 S C -0.149 174.467 174.600 0.026 0.000 1.304 796 S CA 0.190 58.401 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 1.861 122.070 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 0.000 0.000 0.270 797 E C 0.640 177.253 176.600 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 0.627 nan 8.360 nan 0.000 0.440 798 A N 1.463 124.302 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 0.000 0.000 0.219 798 A C 2.116 179.713 177.584 0.022 0.000 1.191 798 A CA 2.791 54.847 52.037 0.031 0.000 0.638 798 A CB -1.235 17.789 19.000 0.041 0.000 0.823 798 A HN 0.752 nan 8.150 nan 0.000 0.451 799 T N -2.328 112.237 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 0.000 0.000 0.263 799 T C 1.187 175.888 174.700 0.000 0.000 1.040 799 T CA 1.295 63.401 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 -1.118 175.173 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.205 30.486 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.853 122.416 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 0.000 0.000 0.284 801 I C 0.239 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.528 61.822 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 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.676 129.058 120.400 -0.029 0.000 2.477 802 D HA 0.280 4.920 4.640 0.000 0.000 0.239 802 D C -1.694 174.565 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.603 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 -0.169 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.636 177.300 -0.154 0.000 1.144 803 P CA 1.039 64.082 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.937 31.700 -0.081 0.000 0.771 804 N N -0.550 118.051 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 0.000 0.000 0.181 804 N C 0.843 176.146 175.510 -0.345 0.000 1.082 804 N CA 0.092 52.987 53.050 -0.257 0.000 0.885 804 N CB -0.066 38.285 38.487 -0.227 0.000 0.977 804 N HN 0.096 nan 8.380 nan 0.000 0.462 805 A N 0.671 123.351 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 0.000 0.000 0.239 805 A C 0.763 178.142 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.013 18.938 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.924 122.960 121.300 -0.439 0.000 2.302 806 W HA -0.225 4.435 4.660 0.000 0.000 0.320 806 W C 2.271 178.245 176.519 -0.908 0.000 1.241 806 W CA 1.939 58.737 57.345 -0.911 0.000 1.264 806 W CB -0.481 28.290 29.460 -1.150 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.776 120.609 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 0.000 0.000 0.250 807 V C 2.288 178.488 176.094 0.176 0.000 1.060 807 V CA 2.284 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 0.164 120.368 120.200 0.007 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 -0.009 0.000 0.799 808 E CB -0.394 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.394 120.008 120.500 -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 -0.055 4.605 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 0.474 57.680 57.345 -0.232 0.000 1.274 810 W CB -0.590 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 -0.093 120.534 120.400 0.378 0.000 1.985 811 K HA -0.125 4.195 4.320 0.000 0.000 0.210 811 K C 2.202 178.883 176.600 0.134 0.000 1.047 811 K CA 1.752 58.227 56.287 0.312 0.000 0.932 811 K CB -0.691 31.939 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.280 124.145 122.820 0.076 0.000 1.978 812 A HA -0.146 4.174 4.320 0.000 0.000 0.220 812 A C 2.213 179.802 177.584 0.008 0.000 1.170 812 A CA 1.950 54.010 52.037 0.038 0.000 0.636 812 A CB -0.528 18.479 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.067 120.736 122.820 -0.029 0.000 2.119 813 A HA 0.380 4.700 4.320 0.000 0.000 0.216 813 A C 1.931 179.426 177.584 -0.149 0.000 1.152 813 A CA 1.339 53.355 52.037 -0.035 0.000 0.708 813 A CB -0.810 18.147 19.000 -0.071 0.000 0.805 813 A HN 1.912 nan 8.150 nan 0.000 0.460 814 G N -1.858 106.804 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 0.000 0.000 0.242 814 G C 0.624 175.484 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.436 45.100 -0.559 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.237 117.783 119.070 -0.083 0.000 2.353 815 H HA -0.134 4.422 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 1.673 57.679 56.048 -0.069 0.000 1.293 815 H CB 0.032 29.692 29.762 -0.171 0.000 1.372 815 H HN 0.596 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.215 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 0.000 0.000 0.294 816 Y C 1.642 177.621 175.900 0.131 0.000 1.141 816 Y CA 0.801 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 -0.980 118.977 119.800 0.260 0.000 2.063 817 Q HA 0.473 4.813 4.340 0.000 0.000 0.245 817 Q C -0.271 175.904 176.000 0.291 0.000 0.828 817 Q CA -0.363 55.594 55.803 0.257 0.000 1.089 817 Q CB 0.308 29.190 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.102 124.103 122.820 0.301 0.000 2.351 818 A HA 0.386 4.706 4.320 0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.179 52.075 52.037 0.362 0.000 0.798 818 A CB 0.522 19.724 19.000 0.336 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.614 120.997 120.200 0.306 0.000 2.133 819 E HA 0.481 4.831 4.350 0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.712 31.481 29.700 0.116 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.365 125.047 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 0.000 0.000 0.248 820 A C -0.230 177.181 177.584 -0.288 0.000 1.082 820 A CA -0.062 51.533 52.037 -0.737 0.000 0.785 820 A CB 0.529 19.100 19.000 -0.716 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.073 124.719 122.820 -0.290 0.000 2.375 821 A HA 0.553 4.873 4.320 0.000 0.000 0.295 821 A C -0.696 176.782 177.584 -0.176 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.724 19.666 19.000 -0.097 0.000 1.206 821 A HN 1.068 nan 8.150 nan 0.000 0.435 822 L N 3.342 124.441 121.223 -0.206 0.000 2.462 822 L HA 0.206 4.546 4.340 0.000 0.000 0.272 822 L C 0.627 177.349 176.870 -0.246 0.000 1.166 822 L CA 0.070 54.679 54.840 -0.386 0.000 0.880 822 L CB 0.140 42.001 42.059 -0.330 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 0.198 4.538 4.340 0.000 0.000 0.215 823 L C 0.448 177.250 176.870 -0.113 0.000 1.065 823 L CA 0.191 54.955 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.223 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.583 119.121 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.285 30.998 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.783 122.063 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 0.000 0.000 0.369 825 C C -1.061 173.998 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.029 0.000 1.260 825 C CB 0.814 28.562 27.740 0.015 0.000 1.764 825 C HN 0.922 nan 8.230 nan 0.000 0.469 826 T N 2.823 117.415 114.554 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 -0.019 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.832 70.684 68.868 -0.026 0.000 1.159 826 T HN 2.018 nan 8.240 nan 0.000 0.499 827 A N 1.605 124.167 122.820 -0.431 0.000 2.401 827 A HA 0.838 5.158 4.320 0.000 0.000 0.310 827 A C -1.209 176.161 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.438 19.674 19.000 -1.273 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.200 120.435 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 0.000 0.000 0.223 828 D C -1.310 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.411 43.141 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 0.111 174.785 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.894 69.740 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.701 122.900 121.223 -0.041 0.000 2.376 830 L HA 0.668 5.008 4.340 0.000 0.000 0.267 830 L C 1.752 178.612 176.870 -0.017 0.000 1.035 830 L CA -0.482 54.341 54.840 -0.028 0.000 0.800 830 L CB 0.129 42.170 42.059 -0.029 0.000 1.290 830 L HN 0.693 nan 8.230 nan 0.000 0.462 831 A N -0.280 122.533 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 0.000 0.000 0.219 831 A C 0.864 178.447 177.584 -0.001 0.000 1.164 831 A CA 1.944 53.979 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.573 117.825 120.400 -0.004 0.000 2.500 832 D HA 0.559 5.199 4.640 0.000 0.000 0.217 832 D C 0.263 176.557 176.300 -0.010 0.000 1.159 832 D CA 0.660 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.462 41.264 40.800 0.003 0.000 1.039 832 D HN 0.493 nan 8.370 nan 0.000 0.512 833 A N -0.428 122.379 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 0.000 0.000 0.301 833 A C -1.773 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.740 19.712 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.275 120.135 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 0.000 0.000 0.303 834 V C -0.922 175.091 176.094 -0.134 0.000 1.041 834 V CA -0.481 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.369 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.700 126.836 121.223 -0.146 0.000 2.356 835 L HA 0.681 5.021 4.340 0.000 0.000 0.277 835 L C -0.969 175.787 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.454 123.920 120.570 -0.174 0.000 2.474 836 I HA 0.595 4.765 4.170 0.000 0.000 0.294 836 I C 0.146 176.251 176.117 -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 1.929 116.469 114.554 -0.023 0.000 2.886 837 T HA 0.850 5.200 4.350 0.000 0.000 0.292 837 T C -0.365 174.388 174.700 0.089 0.000 1.012 837 T CA -0.463 61.675 62.100 0.064 0.000 0.982 837 T CB 2.043 70.928 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.452 114.196 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 0.000 0.000 0.292 838 T C -0.751 174.032 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.135 0.000 1.009 838 T CB 1.648 70.697 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.317 124.152 122.820 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 0.671 19.700 19.000 0.049 0.000 1.289 839 A HN 0.978 nan 8.150 nan 0.000 0.401 840 H N 0.255 119.385 119.070 0.099 0.000 2.834 840 H HA 0.878 5.434 4.556 0.000 0.000 0.369 840 H C -0.002 175.343 175.328 0.029 0.000 1.174 840 H CA 0.109 56.125 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.709 29.762 -0.263 0.000 1.820 840 H HN 1.059 nan 8.280 nan 0.000 0.558 841 A N 1.026 123.838 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 0.000 0.000 0.301 841 A C -1.501 176.093 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.135 0.000 0.711 841 A CB 1.178 20.234 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.094 123.477 121.300 0.138 0.000 2.361 842 W HA 0.450 5.110 4.660 0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.174 57.225 57.345 0.089 0.000 1.208 842 W CB 1.587 31.124 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.383 121.286 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 0.000 0.000 0.286 843 Q C -0.925 175.189 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.515 32.290 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.035 120.122 119.070 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 56.822 55.803 -0.254 0.000 0.854 845 Q CB -1.444 27.111 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.389 3.571 3.960 0.000 0.000 0.260 846 G HA3 -0.389 3.571 3.960 0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.704 45.799 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.099 121.516 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 0.000 0.000 0.268 847 K C -0.232 176.380 176.600 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 1.107 175.745 174.700 -0.104 0.000 0.956 848 T CA -0.591 61.500 62.100 -0.014 0.000 0.987 848 T CB 0.528 69.410 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.042 123.087 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 0.000 0.000 0.202 849 L C 0.087 176.509 176.870 -0.747 0.000 1.074 849 L CA 0.988 55.388 54.840 -0.734 0.000 0.757 849 L CB -0.109 41.027 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.036 118.870 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.162 40.751 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 -1.011 175.385 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.209 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 6.969 123.041 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 0.000 0.000 0.314 852 S C -0.729 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.869 58.200 0.547 0.000 1.070 852 S CB 0.754 64.391 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.616 124.288 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 0.000 0.000 0.315 853 R C -0.700 175.679 176.300 0.132 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.842 32.239 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.636 121.107 120.400 0.119 0.000 2.395 854 K HA 0.540 4.860 4.320 0.000 0.000 0.245 854 K C -0.651 175.929 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.767 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.367 113.087 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 0.000 0.000 0.305 855 T C -1.486 173.118 174.700 -0.160 0.000 1.064 855 T CA -0.779 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.398 69.254 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.472 121.757 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 0.000 0.000 0.338 856 Y C 0.434 176.284 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.929 40.417 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.536 125.084 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 0.000 0.000 0.303 857 R C -2.030 174.233 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.743 56.100 -0.013 0.000 0.881 857 R CB 0.738 31.033 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.086 125.565 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 0.000 0.000 0.290 858 I C -0.279 175.739 176.117 -0.166 0.000 0.994 858 I CA -0.895 60.252 61.300 -0.254 0.000 1.191 858 I CB 1.489 39.174 38.000 -0.525 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.370 124.706 120.400 -0.107 0.000 2.549 859 D HA 0.239 4.879 4.640 0.000 0.000 0.270 859 D C 1.217 177.500 176.300 -0.029 0.000 1.181 859 D CA -0.702 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.779 41.567 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.446 107.350 108.800 -0.007 0.000 2.679 860 G HA2 -0.122 3.838 3.960 0.000 0.000 0.212 860 G HA3 -0.122 3.838 3.960 0.000 0.000 0.212 860 G C 1.126 176.031 174.900 0.008 0.000 1.137 860 G CA 0.879 45.984 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.006 114.699 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.925 59.132 58.200 0.012 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 0.816 109.663 108.800 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 0.021 45.230 45.100 0.182 0.000 0.676 862 G HN 0.634 nan 8.290 nan 0.000 0.522 863 Q N -0.580 119.265 119.800 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 -0.541 55.314 55.803 0.086 0.000 0.890 863 Q CB 1.925 30.713 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.889 121.540 119.600 0.084 0.000 2.114 864 M HA 0.533 5.013 4.480 0.000 0.000 0.332 864 M C -1.470 174.927 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.181 33.820 32.600 0.066 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.919 129.803 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 0.000 0.000 0.316 865 A C -0.830 176.801 177.584 0.078 0.000 1.229 865 A CA -0.664 51.436 52.037 0.106 0.000 0.851 865 A CB 0.479 19.521 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.405 122.005 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 0.000 0.000 0.297 866 I C -0.141 175.876 176.117 -0.166 0.000 1.011 866 I CA -0.378 60.865 61.300 -0.095 0.000 1.107 866 I CB 2.401 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 4.859 119.256 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 0.000 0.000 0.290 867 T C -0.721 173.769 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.263 0.000 0.975 867 T CB 1.861 70.670 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.185 123.764 119.914 -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 -0.278 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.502 0.000 0.877 868 V CB 2.083 33.340 31.823 -0.945 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.354 123.761 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 0.000 0.000 0.251 869 D C -1.090 175.347 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.898 43.840 40.800 0.237 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.804 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 0.000 0.000 0.310 870 V C 0.026 176.278 176.094 0.264 0.000 1.054 870 V CA -0.736 61.742 62.300 0.295 0.000 0.928 870 V CB 2.633 34.650 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.749 122.092 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.612 32.415 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.114 122.158 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 0.000 0.000 0.298 872 V C 0.027 176.236 176.094 0.191 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.560 33.542 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.379 126.285 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 0.000 0.000 0.243 873 A C 1.632 179.304 177.584 0.147 0.000 1.063 873 A CA 0.666 52.767 52.037 0.106 0.000 0.757 873 A CB 0.239 19.269 19.000 0.050 0.000 0.991 873 A HN 1.381 nan 8.150 nan 0.000 0.503 874 S N 1.311 117.087 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 0.000 0.000 0.236 874 S C 0.886 175.573 174.600 0.144 0.000 1.007 874 S CA 1.346 59.635 58.200 0.147 0.000 0.965 874 S CB -0.269 62.994 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.458 120.921 120.400 0.106 0.000 2.342 875 D HA 0.141 4.781 4.640 0.000 0.000 0.221 875 D C 0.525 176.877 176.300 0.086 0.000 1.101 875 D CA -0.011 54.038 54.000 0.081 0.000 0.837 875 D CB -0.265 40.566 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.619 115.255 114.554 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 -2.025 60.183 62.100 0.180 0.000 1.042 876 T CB 1.393 70.399 68.868 0.229 0.000 1.055 876 T HN -0.212 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.598 176.991 177.300 0.481 0.000 1.216 877 P CA -0.217 62.983 63.100 0.166 0.000 0.771 877 P CB 0.112 31.892 31.700 0.134 0.000 0.864 878 H N 3.081 122.491 119.070 0.566 0.000 3.034 878 H HA 0.073 4.629 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 -1.631 54.695 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 0.083 nan 4.420 nan 0.000 0.275 879 P C 0.451 177.668 177.300 -0.138 0.000 1.228 879 P CA -0.301 62.860 63.100 0.101 0.000 0.786 879 P CB 0.771 32.374 31.700 -0.162 0.000 0.927 880 A N 3.479 125.992 122.820 -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 1.570 53.250 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 0.768 nan 8.150 nan 0.000 0.446 881 R N -3.013 117.160 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 0.000 0.000 0.277 881 R C -1.893 174.170 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.538 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 1.161 121.530 120.570 -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 39.615 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.928 114.451 108.800 -0.463 0.000 2.578 883 G HA2 0.725 4.685 3.960 0.000 0.000 0.302 883 G HA3 0.725 4.685 3.960 0.000 0.000 0.302 883 G C -1.768 172.957 174.900 -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 0.673 121.771 121.223 -0.209 0.000 2.327 884 L HA 0.681 5.021 4.340 0.000 0.000 0.258 884 L C -0.846 175.919 176.870 -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 44.663 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 -1.275 174.244 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.168 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 -1.925 117.422 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 0.000 0.000 0.342 886 C C -1.378 173.531 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.682 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.361 120.871 119.800 -0.484 0.000 2.372 887 Q HA 0.639 4.979 4.340 0.000 0.000 0.259 887 Q C -1.009 174.714 176.000 -0.460 0.000 0.993 887 Q CA -0.422 54.826 55.803 -0.925 0.000 0.854 887 Q CB 0.823 28.636 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.738 123.775 121.223 -0.311 0.000 2.397 888 L HA 0.258 4.598 4.340 0.000 0.000 0.271 888 L C 1.200 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.527 54.840 -0.129 0.000 0.825 888 L CB 0.962 43.040 42.059 0.032 0.000 1.117 888 L HN 0.818 nan 8.230 nan 0.000 0.456 889 A N 2.542 125.297 122.820 -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 0.756 52.728 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 0.816 nan 8.150 nan 0.000 0.445 890 Q N -0.597 119.197 119.800 -0.010 0.000 2.382 890 Q HA 0.463 4.803 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 0.099 55.894 55.803 -0.014 0.000 0.916 890 Q CB 0.936 29.669 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.098 121.989 119.914 -0.039 0.000 2.610 891 V HA 0.738 4.858 4.120 0.000 0.000 0.298 891 V C -0.866 175.180 176.094 -0.080 0.000 1.067 891 V CA -0.118 62.196 62.300 0.024 0.000 0.894 891 V CB 1.098 32.932 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.279 126.008 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 0.000 0.000 0.301 892 A C 0.632 178.259 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.495 20.192 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.295 119.933 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.020 57.472 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.019 120.500 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 1.550 121.652 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 0.000 0.000 0.304 895 V C -0.654 175.708 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.914 33.909 31.823 0.287 0.000 1.002 895 V HN 0.719 nan 8.190 nan 0.000 0.424 896 N N 4.069 123.023 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 0.000 0.000 0.291 896 N C -1.468 174.312 175.510 0.451 0.000 1.040 896 N CA -0.399 52.872 53.050 0.367 0.000 0.864 896 N CB 2.912 41.507 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.139 124.497 121.300 0.096 0.000 3.074 897 W HA 0.614 5.274 4.660 0.000 0.000 0.332 897 W C -2.147 174.374 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.733 30.265 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.909 125.145 121.223 0.023 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.022 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.082 54.840 -0.256 0.000 0.859 898 L CB 0.757 42.718 42.059 -0.163 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.660 112.324 108.800 -0.227 0.000 2.392 899 G HA2 0.190 4.150 3.960 0.000 0.000 0.260 899 G HA3 0.190 4.150 3.960 0.000 0.000 0.260 899 G C -1.587 173.466 174.900 0.254 0.000 1.226 899 G CA -1.011 44.175 45.100 0.142 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.525 122.977 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.112 0.000 1.113 900 L CA 0.509 55.493 54.840 0.238 0.000 0.849 900 L CB 0.441 42.572 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.560 112.162 108.800 -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 -2.749 171.287 174.900 -1.441 0.000 1.360 901 G CA -0.375 44.056 45.100 -1.113 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 0.613 31.882 31.700 -0.717 0.000 1.077 903 Q N 0.822 120.424 119.800 -0.330 0.000 2.318 903 Q HA 0.136 4.476 4.340 0.000 0.000 0.222 903 Q C 0.336 176.210 176.000 -0.210 0.000 1.003 903 Q CA -0.526 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.784 29.429 28.738 -0.155 0.000 1.204 903 Q HN 0.176 nan 8.270 nan 0.000 0.524 904 E N 1.390 121.476 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.204 4.350 0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.915 904 E HN 0.612 nan 8.360 nan 0.000 0.487 905 N N 2.775 121.303 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 0.000 0.000 0.283 905 N C -1.856 173.411 175.510 -0.404 0.000 1.105 905 N CA -0.680 52.256 53.050 -0.190 0.000 0.840 905 N CB 0.737 39.134 38.487 -0.150 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N -0.187 120.024 120.300 -0.148 0.000 2.602 906 Y HA 0.514 5.064 4.550 0.000 0.000 0.342 906 Y C -1.654 174.179 175.900 -0.112 0.000 1.029 906 Y CA -2.060 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.749 40.106 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.438 177.677 177.300 -0.102 0.000 1.157 907 P CA 2.211 65.359 63.100 0.080 0.000 0.880 907 P CB 0.181 32.014 31.700 0.221 0.000 0.791 908 D N -2.105 118.037 120.400 -0.431 0.000 2.358 908 D HA 0.007 4.647 4.640 0.000 0.000 0.224 908 D C 0.554 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.033 53.575 54.000 -0.763 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 1.017 121.479 120.500 -0.064 0.000 2.928 909 R HA 0.213 4.553 4.340 0.000 0.000 0.248 909 R C -0.762 175.573 176.300 0.058 0.000 1.796 909 R CA -0.219 55.899 56.100 0.029 0.000 1.477 909 R CB 0.083 30.402 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.894 120.374 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 0.000 0.000 0.341 910 L C 1.237 178.170 176.870 0.105 0.000 1.247 910 L CA 0.227 55.108 54.840 0.068 0.000 1.133 910 L CB 0.112 42.194 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.373 112.271 114.554 0.150 0.000 2.881 911 T HA 0.000 4.350 4.350 0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.393 63.609 62.100 0.192 0.000 1.131 911 T CB -0.295 68.728 68.868 0.258 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.283 124.209 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 0.000 0.000 0.216 912 A C 1.686 179.367 177.584 0.162 0.000 1.152 912 A CA 0.493 52.605 52.037 0.124 0.000 0.708 912 A CB -0.863 18.321 19.000 0.307 0.000 0.805 912 A HN 0.822 nan 8.150 nan 0.000 0.460 916 D N 3.057 122.874 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 0.000 0.000 0.345 916 D C -1.507 173.879 176.300 -1.523 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.205 42.223 40.800 -1.304 0.000 1.451 916 D HN 0.627 nan 8.370 nan 0.000 0.555 917 R N 0.523 120.175 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 0.000 0.000 0.332 917 R C -1.275 174.218 176.300 -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 30.416 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.782 123.522 121.300 -0.933 0.000 2.689 918 W HA 0.402 5.062 4.660 0.000 0.000 0.340 918 W C -0.449 175.681 176.519 -0.650 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.567 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 3.104 123.449 120.400 -0.091 0.000 2.686 919 D HA 0.518 5.158 4.640 0.000 0.000 0.249 919 D C -1.276 175.121 176.300 0.162 0.000 1.260 919 D CA -0.121 53.926 54.000 0.078 0.000 0.910 919 D CB 1.209 42.021 40.800 0.020 0.000 1.323 919 D HN 0.394 nan 8.370 nan 0.000 0.561 920 L N 2.654 124.044 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.135 52.844 54.840 0.232 0.000 0.859 920 L CB 2.734 44.963 42.059 0.284 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.464 177.842 177.300 0.131 0.000 1.276 921 P CA -0.509 62.670 63.100 0.131 0.000 0.808 921 P CB 1.319 33.076 31.700 0.094 0.000 0.966 922 L N 3.680 124.986 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 0.000 0.000 0.218 922 L C 2.188 179.111 176.870 0.088 0.000 1.080 922 L CA 2.845 57.754 54.840 0.114 0.000 0.776 922 L CB -1.526 40.614 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.813 113.942 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.243 59.505 58.200 0.103 0.000 0.993 923 S CB -0.775 62.475 63.200 0.084 0.000 0.808 923 S HN 0.528 nan 8.310 nan 0.000 0.478 924 D N 1.323 121.774 120.400 0.086 0.000 2.348 924 D HA 0.082 4.722 4.640 0.000 0.000 0.216 924 D C 1.194 177.510 176.300 0.027 0.000 0.970 924 D CA 0.606 54.639 54.000 0.055 0.000 0.889 924 D CB -0.185 40.652 40.800 0.062 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.231 119.394 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 0.000 0.000 0.224 925 M C -0.155 176.163 176.300 0.031 0.000 1.171 925 M CA -0.020 55.264 55.300 -0.027 0.000 0.993 925 M CB -0.965 31.599 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.157 120.098 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 0.000 0.000 0.344 926 Y C -0.854 174.966 175.900 -0.134 0.000 0.969 926 Y CA -0.802 57.255 58.100 -0.070 0.000 1.052 926 Y CB 1.531 40.003 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.633 122.642 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 0.000 0.000 0.324 927 T C -2.658 171.197 174.700 -1.407 0.000 1.082 927 T CA -1.493 59.982 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 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.896 30.527 31.700 -0.462 0.000 1.890 929 Y N -0.430 119.754 120.300 -0.194 0.000 2.632 929 Y HA -0.091 4.460 4.550 0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.497 57.566 58.100 -0.063 0.000 1.469 929 Y CB 0.494 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 4.316 124.418 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 0.000 0.000 0.250 930 V C 0.627 176.873 176.094 0.253 0.000 1.060 930 V CA 1.677 64.145 62.300 0.280 0.000 1.030 930 V CB -0.511 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.403 123.388 119.950 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 -3.188 54.798 58.000 -0.023 0.000 1.120 931 F CB 0.958 39.834 39.000 -0.208 0.000 1.142 931 F HN -0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.228 175.767 177.300 -0.507 0.000 1.238 932 P CA -0.183 62.653 63.100 -0.440 0.000 0.794 932 P CB 1.661 33.167 31.700 -0.323 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 -0.834 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.248 63.431 63.200 -0.027 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.429 120.200 0.002 0.000 2.568 934 E HA 0.337 4.687 4.350 0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.075 0.000 0.961 934 E CA 1.138 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 1.175 119.949 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 0.000 0.000 0.248 935 N C 0.254 175.809 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.510 39.090 38.487 0.154 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.399 107.410 108.800 0.014 0.000 2.189 936 G HA2 -0.280 3.680 3.960 0.000 0.000 0.267 936 G HA3 -0.280 3.680 3.960 0.000 0.000 0.267 936 G C -0.149 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.565 45.559 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.971 121.878 121.223 -0.528 0.000 2.506 937 L HA 0.491 4.831 4.340 0.000 0.000 0.281 937 L C 0.732 177.031 176.870 -0.951 0.000 1.228 937 L CA 0.322 54.614 54.840 -0.912 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.314 nan 8.230 nan 0.000 0.496 938 R N 3.852 123.707 120.500 -1.075 0.000 2.532 938 R HA 0.475 4.815 4.340 0.000 0.000 0.297 938 R C -1.067 174.867 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.842 0.000 0.884 938 R CB 0.729 30.489 30.300 -0.901 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.439 118.652 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 0.000 0.000 0.393 939 C C 1.363 176.329 174.990 -0.040 0.000 1.284 939 C CA 0.088 58.990 59.018 -0.193 0.000 2.033 939 C CB 0.962 28.616 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.693 110.483 108.800 -0.016 0.000 2.338 940 G HA2 -0.167 3.793 3.960 0.000 0.000 0.296 940 G HA3 -0.167 3.793 3.960 0.000 0.000 0.296 940 G C -0.142 174.819 174.900 0.102 0.000 1.040 940 G CA 0.473 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 -0.529 61.444 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 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 0.000 0.000 0.197 942 R C 0.448 176.800 176.300 0.087 0.000 0.900 942 R CA 0.149 56.237 56.100 -0.020 0.000 1.052 942 R CB 0.858 31.267 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.055 121.323 120.200 0.114 0.000 2.304 943 E HA 0.287 4.637 4.350 0.000 0.000 0.277 943 E C -1.990 174.766 176.600 0.260 0.000 0.898 943 E CA -0.630 55.905 56.400 0.226 0.000 0.764 943 E CB 1.766 31.566 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.169 125.603 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 0.000 0.000 0.270 944 L C -1.934 175.176 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 54.840 0.276 0.000 0.822 944 L CB 1.813 43.888 42.059 0.026 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.469 123.366 118.700 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 2.033 40.647 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.374 121.855 120.300 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 0.615 39.251 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.492 115.208 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 0.000 0.000 0.271 947 G C -1.832 173.007 174.900 -0.101 0.000 1.209 947 G CA -0.068 44.923 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.094 nan 4.420 nan 0.000 0.237 948 P C 0.512 177.573 177.300 -0.399 0.000 1.178 948 P CA 1.103 64.026 63.100 -0.295 0.000 0.766 948 P CB -0.111 31.340 31.700 -0.416 0.000 0.876 949 H N -0.359 118.666 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 0.000 0.000 0.351 949 H C 0.333 175.440 175.328 -0.369 0.000 1.151 949 H CA -0.125 55.760 56.048 -0.271 0.000 1.339 949 H CB 0.765 30.200 29.762 -0.544 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.114 121.646 119.800 -0.447 0.000 2.284 950 Q HA 0.251 4.591 4.340 0.000 0.000 0.269 950 Q C -1.933 173.821 176.000 -0.411 0.000 1.026 950 Q CA -0.728 54.925 55.803 -0.250 0.000 0.831 950 Q CB 1.669 30.390 28.738 -0.029 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.608 124.911 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 0.000 0.000 0.335 951 W C -0.292 176.325 176.519 0.163 0.000 1.059 951 W CA -0.908 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.178 31.422 29.460 -0.359 0.000 1.416 951 W HN 0.524 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 0.075 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.418 32.884 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.917 110.015 108.800 0.496 0.000 2.564 953 G HA2 -0.028 3.932 3.960 0.000 0.000 0.139 953 G HA3 -0.028 3.932 3.960 0.000 0.000 0.139 953 G C -1.757 173.310 174.900 0.278 0.000 1.147 953 G CA -0.402 44.947 45.100 0.414 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.439 121.025 120.400 0.310 0.000 2.330 954 D HA 0.587 5.227 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 -1.215 174.560 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.720 39.651 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.362 121.265 119.800 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 -0.556 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.590 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.276 118.559 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 0.000 0.000 0.316 957 F C -1.838 173.753 175.800 -0.348 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.461 40.325 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.891 119.446 118.700 -0.241 0.000 2.494 958 N HA 0.711 5.451 4.740 0.000 0.000 0.270 958 N C -2.189 173.301 175.510 -0.035 0.000 1.285 958 N CA -0.705 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.528 40.838 38.487 -0.296 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.371 120.900 120.570 -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 0.087 61.324 61.300 -0.104 0.000 1.046 959 I CB 1.265 39.138 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 -0.319 174.244 174.600 -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 64.895 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.022 120.287 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 0.000 0.000 0.298 961 R C -1.101 174.866 176.300 -0.555 0.000 0.999 961 R CA 0.146 55.975 56.100 -0.453 0.000 1.082 961 R CB -0.488 29.408 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.304 120.609 120.300 0.008 0.000 2.391 962 Y HA 0.234 4.784 4.550 0.000 0.000 0.341 962 Y C 0.704 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.205 56.803 58.100 -0.154 0.000 1.067 962 Y CB 1.512 39.829 38.460 -0.238 0.000 1.199 962 Y HN -0.075 nan 8.280 nan 0.000 0.450 963 S N 1.755 117.121 115.700 -0.556 0.000 2.593 963 S HA 0.066 4.536 4.470 0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.514 0.000 1.334 963 S CA -0.636 56.900 58.200 -1.107 0.000 1.015 963 S CB 1.115 63.677 63.200 -1.063 0.000 0.912 963 S HN 0.759 nan 8.310 nan 0.000 0.541 964 Q N 0.729 120.230 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.873 57.519 55.803 -0.262 0.000 0.850 964 Q CB -0.508 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 0.690 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.434 57.149 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 1.736 57.466 55.803 -0.122 0.000 0.843 966 Q CB -0.192 28.467 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.111 121.237 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.442 56.171 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 -0.514 119.001 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 0.000 0.000 0.264 968 M C 1.727 177.964 176.300 -0.106 0.000 1.063 968 M CA 1.677 56.905 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 -0.655 119.487 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 0.000 0.000 0.194 969 E C -0.232 176.338 176.600 -0.051 0.000 1.041 969 E CA 0.147 56.513 56.400 -0.057 0.000 0.874 969 E CB 0.437 30.114 29.700 -0.037 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.253 114.749 114.554 -0.098 0.000 2.829 970 T HA 0.107 4.457 4.350 0.000 0.000 0.282 970 T C 1.117 175.751 174.700 -0.110 0.000 0.990 970 T CA -0.402 61.645 62.100 -0.087 0.000 1.028 970 T CB 1.678 70.472 68.868 -0.123 0.000 0.951 970 T HN 0.033 nan 8.240 nan 0.000 0.460 971 S N 1.481 117.208 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 0.000 0.000 0.220 971 S C 0.246 174.940 174.600 0.157 0.000 1.011 971 S CA 0.133 58.428 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 0.706 119.812 119.070 0.061 0.000 2.717 972 H HA 0.533 5.089 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 1.535 122.196 120.500 0.269 0.000 2.091 973 R HA -0.199 4.141 4.340 0.000 0.000 0.238 973 R C 1.347 177.712 176.300 0.109 0.000 1.136 973 R CA 2.001 58.180 56.100 0.132 0.000 0.959 973 R CB -0.622 29.759 30.300 0.134 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.682 120.779 119.070 0.045 0.000 2.518 974 H HA -0.030 4.526 4.556 0.000 0.000 0.292 974 H C 1.434 176.710 175.328 -0.087 0.000 1.068 974 H CA 1.063 57.094 56.048 -0.028 0.000 1.275 974 H CB -0.251 29.485 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.828 121.754 121.223 -0.495 0.000 2.611 975 L HA 0.255 4.595 4.340 0.000 0.000 0.229 975 L C 0.307 177.096 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.392 0.000 0.901 975 L CB -0.001 41.812 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.837 121.990 121.223 -0.116 0.000 2.375 976 L HA 0.317 4.657 4.340 0.000 0.000 0.271 976 L C 0.186 177.109 176.870 0.087 0.000 1.107 976 L CA -0.424 54.362 54.840 -0.090 0.000 0.806 976 L CB 0.748 42.595 42.059 -0.353 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.355 120.507 119.070 0.138 0.000 2.600 977 H HA 0.654 5.210 4.556 0.000 0.000 0.357 977 H C -0.764 174.627 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.376 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 3.467 126.278 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.419 4.320 0.000 0.000 0.236 978 A C 0.329 177.854 177.584 -0.099 0.000 1.062 978 A CA -0.148 51.701 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 0.575 120.678 120.200 -0.162 0.000 2.292 979 E HA 0.149 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 30.528 29.700 0.174 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.332 120.521 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 0.000 0.000 0.201 980 E C 0.937 177.467 176.600 -0.117 0.000 1.016 980 E CA 1.777 58.137 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.459 107.220 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 0.000 0.000 0.187 981 G C -0.692 174.099 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.109 nan 8.290 nan 0.000 0.687 982 T N 0.486 114.928 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 0.000 0.000 0.282 982 T C -1.488 173.063 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.496 70.397 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.224 124.440 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 0.000 0.000 0.311 983 W C -0.332 176.073 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.529 57.345 -0.142 0.000 1.199 983 W CB 0.831 30.216 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.622 126.907 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 0.000 0.000 0.274 984 L C -1.159 175.642 176.870 -0.115 0.000 0.988 984 L CA -0.570 54.200 54.840 -0.116 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 6.967 125.583 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 0.000 0.000 0.277 985 N C -1.188 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.671 53.050 -0.159 0.000 0.903 985 N CB 2.366 40.777 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.754 122.159 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 0.000 0.000 0.285 986 I C -0.641 175.312 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.472 39.134 38.000 -0.563 0.000 1.289 986 I HN 0.156 nan 8.210 nan 0.000 0.453 987 D N 4.531 124.805 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 0.000 0.000 0.243 987 D C 0.989 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.625 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 1.121 109.377 108.800 -0.906 0.000 2.430 988 G HA2 0.049 4.008 3.960 0.000 0.000 0.216 988 G HA3 0.049 4.008 3.960 0.000 0.000 0.216 988 G C 0.042 174.075 174.900 -1.445 0.000 1.146 988 G CA 0.469 44.752 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.806 117.950 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 0.000 0.000 0.308 989 F C -0.730 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.246 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.730 121.832 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 0.000 0.000 0.354 990 H C -1.071 174.289 175.328 0.053 0.000 1.085 990 H CA -0.756 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.366 32.103 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.939 122.489 119.600 -0.083 0.000 2.240 991 M HA 0.282 4.762 4.480 0.000 0.000 0.317 991 M C 0.405 176.823 176.300 0.197 0.000 1.087 991 M CA 0.548 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 2.277 111.169 108.800 0.153 0.000 2.653 992 G HA2 0.358 4.318 3.960 0.000 0.000 0.265 992 G HA3 0.358 4.318 3.960 0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.039 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 -2.588 117.906 120.570 -0.127 0.000 3.939 993 I HA 0.443 4.613 4.170 0.000 0.000 0.313 993 I C 1.134 177.178 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.716 61.300 -0.172 0.000 1.301 993 I CB -0.338 37.468 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.624 110.370 108.800 -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 0.574 175.465 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.227 45.100 -0.021 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.400 106.409 108.800 0.014 0.000 2.559 995 G HA2 0.025 3.985 3.960 0.000 0.000 0.202 995 G HA3 0.025 3.985 3.960 0.000 0.000 0.202 995 G C 0.666 175.615 174.900 0.082 0.000 0.992 995 G CA 0.913 46.032 45.100 0.031 0.000 0.764 995 G HN 0.979 nan 8.290 nan 0.000 0.525 996 D N 1.291 121.755 120.400 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 2.177 56.291 54.000 0.190 0.000 0.863 996 D CB 0.092 41.015 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.760 116.468 120.400 -0.288 0.000 2.653 997 D HA 0.283 4.923 4.640 0.000 0.000 0.258 997 D C -0.795 174.998 176.300 -0.845 0.000 1.252 997 D CA -0.723 52.688 54.000 -0.982 0.000 0.777 997 D CB 0.809 40.534 40.800 -1.791 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.306 114.713 115.700 -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 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.523 62.835 63.200 0.263 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.235 122.478 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 0.000 0.000 0.338 999 W C -0.043 176.430 176.519 -0.077 0.000 0.914 999 W CA -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.552 28.798 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.274 114.311 115.700 -0.190 0.000 2.588 1000 S HA 0.628 5.098 4.470 0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -0.113 0.000 1.157 1000 S CA -1.558 56.563 58.200 -0.130 0.000 0.824 1000 S CB 1.638 64.762 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 0.290 177.621 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.895 63.100 0.021 0.000 0.764 1001 P CB 0.803 32.437 31.700 -0.109 0.000 0.825 1002 S N 0.774 116.532 115.700 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 4.305 124.337 119.914 0.196 0.000 2.455 1003 V HA 0.397 4.517 4.120 0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.396 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.695 32.593 31.823 0.125 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.450 120.337 115.700 0.313 0.000 2.585 1004 S HA 0.415 4.885 4.470 0.000 0.000 0.273 1004 S C 1.471 176.221 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.301 58.200 0.281 0.000 1.028 1004 S CB 1.450 64.783 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.036 124.946 122.820 0.150 0.000 1.915 1005 A HA -0.234 4.086 4.320 0.000 0.000 0.220 1005 A C 1.896 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.217 54.316 52.037 0.103 0.000 0.647 1005 A CB -1.357 17.683 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.905 119.195 120.200 -0.167 0.000 2.331 1006 E HA -0.137 4.213 4.350 0.000 0.000 0.199 1006 E C 0.840 177.055 176.600 -0.642 0.000 1.008 1006 E CA 1.181 57.309 56.400 -0.453 0.000 0.843 1006 E CB -0.405 28.830 29.700 -0.775 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.690 120.689 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 0.000 0.000 0.302 1007 F C 0.483 176.322 175.800 0.064 0.000 1.097 1007 F CA -0.409 57.638 58.000 0.079 0.000 1.294 1007 F CB 0.243 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 1.157 121.062 119.800 0.173 0.000 2.222 1008 Q HA 0.421 4.761 4.340 0.000 0.000 0.252 1008 Q C -0.210 175.819 176.000 0.047 0.000 0.926 1008 Q CA -0.597 55.297 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 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.408 123.638 121.223 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 -0.049 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.392 41.533 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.086 114.457 115.700 -0.263 0.000 2.539 1010 S HA 0.139 4.609 4.470 0.000 0.000 0.221 1010 S C 1.725 176.228 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.697 63.598 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.694 124.472 122.820 -0.070 0.000 2.019 1011 A HA 0.397 4.717 4.320 0.000 0.000 0.219 1011 A C 2.167 179.614 177.584 -0.229 0.000 1.164 1011 A CA 1.471 53.335 52.037 -0.289 0.000 0.644 1011 A CB -1.337 17.192 19.000 -0.785 0.000 0.805 1011 A HN 1.508 nan 8.150 nan 0.000 0.449 1012 G N -1.599 107.184 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 0.000 0.000 0.233 1012 G C 0.432 175.343 174.900 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 -0.599 119.760 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 0.000 0.000 0.293 1013 R C -1.569 174.475 176.300 -0.425 0.000 0.983 1013 R CA -0.650 55.367 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 0.155 120.467 120.300 0.019 0.000 2.512 1014 Y HA 0.389 4.939 4.550 0.000 0.000 0.348 1014 Y C -0.401 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.203 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.464 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.270 121.661 119.070 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 1.410 31.326 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.087 121.093 120.300 -0.490 0.000 2.624 1016 Y HA 0.504 5.054 4.550 0.000 0.000 0.334 1016 Y C -1.992 173.702 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.861 58.100 -0.291 0.000 1.046 1016 Y CB 1.279 39.662 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.074 122.831 119.800 -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 0.046 0.000 1.405 1017 Q HN 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.795 122.056 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 0.000 0.000 0.256 1018 L C -1.606 175.366 176.870 0.171 0.000 1.001 1018 L CA -1.057 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 1.654 121.702 119.914 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 2.104 34.045 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