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 1jz2_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.105 176.300 -0.325 0.000 0.893 13 R CA 0.000 55.978 56.100 -0.203 0.000 0.921 13 R CB 0.000 30.180 30.300 -0.201 0.000 0.687 14 R N 2.150 122.336 120.500 -0.523 0.000 3.235 14 R HA 0.090 4.437 4.340 0.010 0.000 0.232 14 R C 0.149 175.858 176.300 -0.986 0.000 1.475 14 R CA -0.370 55.010 56.100 -1.200 0.000 1.405 14 R CB 0.228 29.925 30.300 -1.005 0.000 1.266 14 R HN 0.482 nan 8.270 nan 0.000 0.650 15 D N 1.253 121.269 120.400 -0.639 0.000 2.221 15 D HA -0.198 4.448 4.640 0.010 0.000 0.204 15 D C 1.342 177.506 176.300 -0.227 0.000 0.982 15 D CA 1.212 54.928 54.000 -0.474 0.000 0.857 15 D CB 0.098 40.410 40.800 -0.813 0.000 0.934 15 D HN 0.653 nan 8.370 nan 0.000 0.475 16 W N 1.355 122.694 121.300 0.066 0.000 3.096 16 W HA 0.167 4.833 4.660 0.010 0.000 0.241 16 W C 0.660 177.272 176.519 0.154 0.000 1.316 16 W CA -0.169 57.315 57.345 0.230 0.000 1.520 16 W CB -0.320 29.313 29.460 0.289 0.000 1.128 16 W HN -0.162 nan 8.180 nan 0.000 0.707 17 E N 0.619 120.658 120.200 -0.268 0.000 2.876 17 E HA 0.023 4.379 4.350 0.010 0.000 0.208 17 E C -0.596 175.842 176.600 -0.270 0.000 0.981 17 E CA -0.178 56.090 56.400 -0.218 0.000 1.174 17 E CB -0.103 29.429 29.700 -0.279 0.000 1.047 17 E HN 0.004 nan 8.360 nan 0.000 0.477 18 N N 1.041 119.618 118.700 -0.205 0.000 2.607 18 N HA 0.149 4.896 4.740 0.010 0.000 0.271 18 N C -2.340 173.039 175.510 -0.218 0.000 1.142 18 N CA -2.046 50.859 53.050 -0.241 0.000 0.810 18 N CB 1.448 39.794 38.487 -0.235 0.000 1.306 18 N HN -0.176 nan 8.380 nan 0.000 0.536 19 P HA 0.075 nan 4.420 nan 0.000 0.234 19 P C 1.075 178.138 177.300 -0.395 0.000 1.167 19 P CA 0.515 63.323 63.100 -0.487 0.000 0.763 19 P CB 0.167 31.168 31.700 -1.165 0.000 0.835 20 G N -0.371 108.240 108.800 -0.314 0.000 2.551 20 G HA2 0.026 3.992 3.960 0.010 0.000 0.216 20 G HA3 0.026 3.992 3.960 0.010 0.000 0.216 20 G C 0.314 175.122 174.900 -0.152 0.000 1.137 20 G CA 0.230 45.190 45.100 -0.234 0.000 0.798 20 G HN 0.212 nan 8.290 nan 0.000 0.536 21 V N 1.522 121.360 119.914 -0.127 0.000 2.350 21 V HA 0.353 4.479 4.120 0.010 0.000 0.285 21 V C 0.794 176.922 176.094 0.057 0.000 1.014 21 V CA 0.156 62.426 62.300 -0.049 0.000 0.831 21 V CB 1.422 33.189 31.823 -0.093 0.000 1.000 21 V HN 0.328 nan 8.190 nan 0.000 0.433 22 T N 0.779 115.374 114.554 0.068 0.000 3.044 22 T HA 0.388 4.744 4.350 0.010 0.000 0.260 22 T C 0.192 174.961 174.700 0.114 0.000 1.019 22 T CA 0.029 62.190 62.100 0.102 0.000 0.921 22 T CB 0.305 69.185 68.868 0.019 0.000 1.053 22 T HN 0.706 nan 8.240 nan 0.000 0.533 23 Q N 0.266 120.171 119.800 0.175 0.000 2.829 23 Q HA 0.699 5.045 4.340 0.010 0.000 0.296 23 Q C -2.287 173.839 176.000 0.211 0.000 0.893 23 Q CA -1.126 54.775 55.803 0.164 0.000 0.772 23 Q CB 0.914 29.667 28.738 0.025 0.000 1.489 23 Q HN 0.208 nan 8.270 nan 0.000 0.420 24 L N 1.389 122.748 121.223 0.227 0.000 2.505 24 L HA 0.591 4.937 4.340 0.010 0.000 0.266 24 L C -0.684 176.285 176.870 0.166 0.000 0.954 24 L CA -0.842 54.124 54.840 0.210 0.000 0.852 24 L CB 2.009 44.275 42.059 0.346 0.000 1.282 24 L HN 0.834 nan 8.230 nan 0.000 0.403 25 N N 0.817 119.594 118.700 0.128 0.000 2.800 25 N HA -0.201 4.545 4.740 0.010 0.000 0.250 25 N C 0.212 175.823 175.510 0.169 0.000 1.078 25 N CA 0.854 53.977 53.050 0.122 0.000 0.804 25 N CB -0.686 37.816 38.487 0.025 0.000 1.135 25 N HN 0.662 nan 8.380 nan 0.000 0.565 26 R N 0.762 121.298 120.500 0.059 0.000 2.539 26 R HA 0.380 4.726 4.340 0.010 0.000 0.275 26 R C 0.519 176.706 176.300 -0.188 0.000 1.077 26 R CA -0.303 55.649 56.100 -0.248 0.000 1.097 26 R CB 0.523 30.664 30.300 -0.265 0.000 1.018 26 R HN 0.126 nan 8.270 nan 0.000 0.483 27 L N 2.814 123.881 121.223 -0.261 0.000 2.453 27 L HA 0.322 4.668 4.340 0.010 0.000 0.261 27 L C 0.616 177.441 176.870 -0.076 0.000 1.179 27 L CA -0.613 54.164 54.840 -0.104 0.000 0.813 27 L CB 0.976 43.000 42.059 -0.059 0.000 1.110 27 L HN 0.775 nan 8.230 nan 0.000 0.466 28 A N 1.462 124.279 122.820 -0.005 0.000 2.466 28 A HA 0.477 4.803 4.320 0.010 0.000 0.238 28 A C 0.295 177.902 177.584 0.038 0.000 1.074 28 A CA 0.054 52.099 52.037 0.012 0.000 0.774 28 A CB 0.159 19.189 19.000 0.049 0.000 1.015 28 A HN 0.797 nan 8.150 nan 0.000 0.498 29 A N 1.190 123.988 122.820 -0.037 0.000 2.332 29 A HA 0.697 5.023 4.320 0.010 0.000 0.258 29 A C 0.078 177.601 177.584 -0.102 0.000 1.087 29 A CA 0.412 52.355 52.037 -0.156 0.000 0.802 29 A CB -0.011 18.885 19.000 -0.173 0.000 1.042 29 A HN 1.856 nan 8.150 nan 0.000 0.489 30 H N -2.243 116.694 119.070 -0.221 0.000 2.917 30 H HA 0.644 5.206 4.556 0.010 0.000 0.299 30 H C -3.392 171.661 175.328 -0.457 0.000 1.418 30 H CA -1.876 53.979 56.048 -0.323 0.000 1.138 30 H CB 0.102 29.607 29.762 -0.429 0.000 1.830 30 H HN 0.383 nan 8.280 nan 0.000 0.514 31 P HA 0.207 nan 4.420 nan 0.000 0.274 31 P C -2.599 174.462 177.300 -0.399 0.000 1.246 31 P CA -1.451 61.420 63.100 -0.382 0.000 0.795 31 P CB -0.291 31.138 31.700 -0.453 0.000 1.006 32 P HA 0.055 nan 4.420 nan 0.000 0.261 32 P C -0.805 176.613 177.300 0.197 0.000 1.183 32 P CA 1.043 64.125 63.100 -0.030 0.000 0.761 32 P CB -0.142 31.596 31.700 0.064 0.000 0.785 33 F N 1.215 121.263 119.950 0.163 0.000 2.579 33 F HA 0.612 5.145 4.527 0.010 0.000 0.324 33 F C 0.964 176.716 175.800 -0.079 0.000 1.058 33 F CA -1.112 56.940 58.000 0.087 0.000 0.944 33 F CB 2.222 41.240 39.000 0.030 0.000 1.245 33 F HN 0.207 nan 8.300 nan 0.000 0.477 34 A N 0.384 123.181 122.820 -0.039 0.000 2.653 34 A HA 0.261 4.587 4.320 0.010 0.000 0.248 34 A C 0.525 177.868 177.584 -0.401 0.000 1.211 34 A CA 0.255 52.034 52.037 -0.430 0.000 0.991 34 A CB -0.094 18.242 19.000 -1.106 0.000 1.252 34 A HN 0.724 nan 8.150 nan 0.000 0.593 35 S N 0.573 116.149 115.700 -0.206 0.000 3.405 35 S HA -0.148 4.328 4.470 0.010 0.000 0.373 35 S C -0.080 174.481 174.600 -0.064 0.000 0.939 35 S CA 0.398 58.520 58.200 -0.129 0.000 1.295 35 S CB -1.365 61.754 63.200 -0.135 0.000 0.919 35 S HN 0.465 nan 8.310 nan 0.000 0.535 36 W N 2.521 123.811 121.300 -0.016 0.000 2.202 36 W HA 0.320 4.986 4.660 0.010 0.000 0.332 36 W C 1.339 177.846 176.519 -0.019 0.000 1.263 36 W CA -0.719 56.623 57.345 -0.005 0.000 1.223 36 W CB 0.478 29.936 29.460 -0.004 0.000 1.128 36 W HN 0.366 nan 8.180 nan 0.000 0.573 37 R N 2.108 122.741 120.500 0.223 0.000 2.586 37 R HA 0.103 4.449 4.340 0.010 0.000 0.336 37 R C -0.084 176.274 176.300 0.098 0.000 1.060 37 R CA -0.135 56.038 56.100 0.121 0.000 1.079 37 R CB 0.032 30.370 30.300 0.063 0.000 1.317 37 R HN 0.339 nan 8.270 nan 0.000 0.568 38 N N 0.193 118.963 118.700 0.117 0.000 2.454 38 N HA 0.108 4.854 4.740 0.010 0.000 0.291 38 N C -0.127 175.352 175.510 -0.052 0.000 1.079 38 N CA -0.043 53.025 53.050 0.031 0.000 0.893 38 N CB 1.963 40.466 38.487 0.026 0.000 1.512 38 N HN -0.246 nan 8.380 nan 0.000 0.497 39 S N 2.271 117.928 115.700 -0.072 0.000 2.382 39 S HA -0.158 4.318 4.470 0.010 0.000 0.228 39 S C 1.396 175.846 174.600 -0.250 0.000 1.027 39 S CA 1.160 59.280 58.200 -0.133 0.000 0.991 39 S CB -0.003 63.155 63.200 -0.069 0.000 0.823 39 S HN 0.730 nan 8.310 nan 0.000 0.469 40 E N 1.601 121.677 120.200 -0.206 0.000 2.077 40 E HA -0.149 4.208 4.350 0.010 0.000 0.193 40 E C 1.906 178.313 176.600 -0.322 0.000 0.989 40 E CA 1.202 57.447 56.400 -0.258 0.000 0.800 40 E CB -0.180 29.420 29.700 -0.167 0.000 0.746 40 E HN 0.241 nan 8.360 nan 0.000 0.452 41 E N 0.126 120.151 120.200 -0.291 0.000 2.110 41 E HA -0.139 4.217 4.350 0.010 0.000 0.193 41 E C 1.963 178.048 176.600 -0.858 0.000 0.988 41 E CA 1.177 57.370 56.400 -0.345 0.000 0.804 41 E CB -0.605 29.032 29.700 -0.104 0.000 0.745 41 E HN 0.378 nan 8.360 nan 0.000 0.458 42 A N 1.287 123.364 122.820 -1.237 0.000 1.902 42 A HA -0.194 4.132 4.320 0.010 0.000 0.217 42 A C 2.247 179.233 177.584 -0.997 0.000 1.181 42 A CA 1.699 52.633 52.037 -1.837 0.000 0.623 42 A CB -0.459 17.901 19.000 -1.067 0.000 0.818 42 A HN 0.159 nan 8.150 nan 0.000 0.443 43 R N -0.192 119.919 120.500 -0.648 0.000 2.070 43 R HA -0.141 4.205 4.340 0.010 0.000 0.233 43 R C 2.212 178.258 176.300 -0.424 0.000 1.137 43 R CA 2.269 58.051 56.100 -0.531 0.000 0.945 43 R CB -0.630 29.250 30.300 -0.700 0.000 0.845 43 R HN 0.614 nan 8.270 nan 0.000 0.430 44 T N -1.986 112.337 114.554 -0.385 0.000 3.113 44 T HA -0.063 4.293 4.350 0.010 0.000 0.263 44 T C 0.514 175.122 174.700 -0.154 0.000 1.143 44 T CA 0.914 62.873 62.100 -0.236 0.000 1.090 44 T CB -0.215 68.544 68.868 -0.182 0.000 0.922 44 T HN 0.505 nan 8.240 nan 0.000 0.521 45 D N 0.522 120.768 120.400 -0.256 0.000 2.870 45 D HA -0.173 4.474 4.640 0.010 0.000 0.228 45 D C 0.080 176.498 176.300 0.196 0.000 1.147 45 D CA 0.390 54.376 54.000 -0.022 0.000 0.757 45 D CB -1.354 39.501 40.800 0.090 0.000 1.091 45 D HN 0.592 nan 8.370 nan 0.000 0.429 46 R N 0.072 120.645 120.500 0.121 0.000 2.726 46 R HA 0.437 4.783 4.340 0.010 0.000 0.272 46 R C -2.031 174.547 176.300 0.464 0.000 1.097 46 R CA -1.082 55.153 56.100 0.225 0.000 1.198 46 R CB 0.095 30.468 30.300 0.123 0.000 1.114 46 R HN 0.126 nan 8.270 nan 0.000 0.550 47 P HA -0.022 nan 4.420 nan 0.000 0.269 47 P C -0.801 176.639 177.300 0.233 0.000 1.215 47 P CA 0.026 63.264 63.100 0.230 0.000 0.780 47 P CB 0.802 32.584 31.700 0.137 0.000 0.898 48 S N 1.293 116.991 115.700 -0.002 0.000 2.451 48 S HA 0.107 4.583 4.470 0.010 0.000 0.301 48 S C 1.055 175.653 174.600 -0.005 0.000 1.116 48 S CA -0.502 57.624 58.200 -0.123 0.000 1.093 48 S CB 0.304 63.096 63.200 -0.680 0.000 1.017 48 S HN 0.235 nan 8.310 nan 0.000 0.482 49 Q N 2.761 122.601 119.800 0.066 0.000 2.297 49 Q HA -0.100 4.247 4.340 0.010 0.000 0.208 49 Q C 1.029 177.130 176.000 0.170 0.000 0.981 49 Q CA 1.450 57.324 55.803 0.119 0.000 0.876 49 Q CB -0.077 28.732 28.738 0.118 0.000 0.921 49 Q HN 0.735 nan 8.270 nan 0.000 0.446 50 Q N -0.523 119.307 119.800 0.050 0.000 2.403 50 Q HA 0.094 4.440 4.340 0.010 0.000 0.203 50 Q C -0.239 175.819 176.000 0.096 0.000 0.932 50 Q CA 0.138 55.944 55.803 0.004 0.000 0.945 50 Q CB 0.368 29.031 28.738 -0.125 0.000 1.045 50 Q HN 0.024 nan 8.270 nan 0.000 0.511 51 L N 0.594 121.874 121.223 0.094 0.000 2.342 51 L HA 0.445 4.791 4.340 0.010 0.000 0.276 51 L C -1.270 175.680 176.870 0.134 0.000 0.997 51 L CA -0.427 54.472 54.840 0.097 0.000 0.838 51 L CB 1.173 43.207 42.059 -0.041 0.000 1.224 51 L HN -0.139 nan 8.230 nan 0.000 0.416 52 R N 2.594 123.200 120.500 0.177 0.000 2.445 52 R HA 0.555 4.902 4.340 0.010 0.000 0.308 52 R C -0.544 175.772 176.300 0.026 0.000 0.961 52 R CA -0.594 55.557 56.100 0.086 0.000 0.862 52 R CB 2.013 32.333 30.300 0.034 0.000 1.144 52 R HN 0.705 nan 8.270 nan 0.000 0.447 53 S N 2.956 118.662 115.700 0.010 0.000 2.545 53 S HA 0.246 4.722 4.470 0.010 0.000 0.275 53 S C 0.558 175.148 174.600 -0.017 0.000 1.299 53 S CA -0.556 57.639 58.200 -0.009 0.000 1.048 53 S CB 0.509 63.713 63.200 0.007 0.000 0.938 53 S HN 0.585 nan 8.310 nan 0.000 0.496 54 L N 3.559 124.769 121.223 -0.022 0.000 2.965 54 L HA 0.324 4.670 4.340 0.010 0.000 0.254 54 L C 0.135 177.129 176.870 0.207 0.000 1.220 54 L CA -0.451 54.399 54.840 0.016 0.000 1.023 54 L CB -0.301 41.719 42.059 -0.064 0.000 1.355 54 L HN 0.527 nan 8.230 nan 0.000 0.545 55 N N 1.212 119.977 118.700 0.108 0.000 2.453 55 N HA 0.508 5.254 4.740 0.010 0.000 0.253 55 N C 0.666 176.287 175.510 0.185 0.000 1.252 55 N CA 1.037 54.155 53.050 0.113 0.000 0.917 55 N CB 1.329 39.830 38.487 0.022 0.000 1.117 55 N HN 0.327 nan 8.380 nan 0.000 0.442 56 G N 0.475 109.403 108.800 0.214 0.000 2.240 56 G HA2 -0.076 3.891 3.960 0.010 0.000 0.199 56 G HA3 -0.076 3.891 3.960 0.010 0.000 0.199 56 G C -1.635 173.464 174.900 0.332 0.000 1.342 56 G CA -0.777 44.452 45.100 0.214 0.000 1.145 56 G HN 0.497 nan 8.290 nan 0.000 0.477 57 E N -0.181 120.189 120.200 0.283 0.000 2.229 57 E HA 0.514 4.870 4.350 0.010 0.000 0.283 57 E C -1.114 175.723 176.600 0.395 0.000 1.030 57 E CA -0.179 56.403 56.400 0.304 0.000 0.836 57 E CB 1.365 31.170 29.700 0.174 0.000 1.068 57 E HN 0.388 nan 8.360 nan 0.000 0.401 58 W N 1.317 122.704 121.300 0.146 0.000 2.929 58 W HA 0.377 5.043 4.660 0.011 0.000 0.345 58 W C -0.046 176.595 176.519 0.205 0.000 1.151 58 W CA -0.762 56.699 57.345 0.194 0.000 1.111 58 W CB 1.057 30.685 29.460 0.280 0.000 1.449 58 W HN 0.198 nan 8.180 nan 0.000 0.572 59 R N 1.654 122.422 120.500 0.446 0.000 2.407 59 R HA 0.587 4.933 4.340 0.010 0.000 0.303 59 R C -1.500 175.048 176.300 0.413 0.000 0.981 59 R CA -0.817 55.486 56.100 0.339 0.000 0.905 59 R CB 1.345 31.787 30.300 0.237 0.000 1.099 59 R HN 0.455 nan 8.270 nan 0.000 0.459 60 F N 0.517 120.508 119.950 0.069 0.000 2.591 60 F HA 0.640 5.173 4.527 0.010 0.000 0.309 60 F C -1.453 174.213 175.800 -0.223 0.000 1.098 60 F CA -0.580 57.312 58.000 -0.181 0.000 0.937 60 F CB 2.068 40.842 39.000 -0.377 0.000 1.250 60 F HN 0.640 nan 8.300 nan 0.000 0.447 61 A N 4.274 126.326 122.820 -1.279 0.000 2.520 61 A HA 0.563 4.889 4.320 0.010 0.000 0.298 61 A C -2.470 174.284 177.584 -1.383 0.000 1.051 61 A CA -0.525 50.931 52.037 -0.968 0.000 0.690 61 A CB 0.724 19.448 19.000 -0.459 0.000 1.281 61 A HN 0.940 nan 8.150 nan 0.000 0.402 62 W N 2.378 122.905 121.300 -1.288 0.000 2.520 62 W HA 0.770 5.436 4.660 0.010 0.000 0.323 62 W C -1.855 174.002 176.519 -1.103 0.000 1.062 62 W CA -0.365 56.345 57.345 -1.059 0.000 1.215 62 W CB 1.248 30.311 29.460 -0.661 0.000 1.340 62 W HN 0.508 nan 8.180 nan 0.000 0.516 63 F N 5.731 125.044 119.950 -1.062 0.000 2.599 63 F HA 0.359 4.892 4.527 0.010 0.000 0.311 63 F C -1.392 173.507 175.800 -1.502 0.000 1.076 63 F CA -2.390 55.118 58.000 -0.819 0.000 0.937 63 F CB 1.612 40.269 39.000 -0.572 0.000 1.282 63 F HN 0.183 nan 8.300 nan 0.000 0.460 64 P HA 0.094 nan 4.420 nan 0.000 0.226 64 P C -0.274 176.921 177.300 -0.176 0.000 1.153 64 P CA 1.002 63.936 63.100 -0.277 0.000 0.777 64 P CB 0.598 32.390 31.700 0.154 0.000 0.794 65 A N -1.019 121.690 122.820 -0.184 0.000 2.583 65 A HA 0.494 4.820 4.320 0.010 0.000 0.292 65 A C -2.519 174.939 177.584 -0.212 0.000 1.045 65 A CA -0.872 51.082 52.037 -0.138 0.000 0.672 65 A CB 0.338 19.323 19.000 -0.024 0.000 1.283 65 A HN -0.294 nan 8.150 nan 0.000 0.419 66 P HA -0.044 nan 4.420 nan 0.000 0.219 66 P C 0.734 177.904 177.300 -0.216 0.000 1.150 66 P CA 1.378 64.301 63.100 -0.294 0.000 0.814 66 P CB 0.246 31.727 31.700 -0.366 0.000 0.787 67 E N 0.206 120.344 120.200 -0.103 0.000 2.333 67 E HA -0.055 4.301 4.350 0.010 0.000 0.198 67 E C 1.994 178.521 176.600 -0.121 0.000 1.007 67 E CA 1.137 57.499 56.400 -0.064 0.000 0.845 67 E CB -0.932 28.770 29.700 0.004 0.000 0.766 67 E HN 0.229 nan 8.360 nan 0.000 0.507 68 A N 0.263 122.980 122.820 -0.172 0.000 2.208 68 A HA 0.087 4.413 4.320 0.010 0.000 0.209 68 A C 0.690 177.972 177.584 -0.503 0.000 1.161 68 A CA -0.075 51.866 52.037 -0.159 0.000 0.782 68 A CB 0.211 19.235 19.000 0.040 0.000 0.816 68 A HN 0.039 nan 8.150 nan 0.000 0.477 69 V N 1.939 121.422 119.914 -0.720 0.000 2.488 69 V HA 0.233 4.360 4.120 0.010 0.000 0.277 69 V C -2.385 173.397 176.094 -0.519 0.000 1.046 69 V CA -1.541 60.136 62.300 -1.039 0.000 0.986 69 V CB 0.635 31.890 31.823 -0.946 0.000 0.989 69 V HN 0.222 nan 8.190 nan 0.000 0.475 70 P HA 0.133 nan 4.420 nan 0.000 0.276 70 P C 0.881 178.133 177.300 -0.079 0.000 1.243 70 P CA -0.170 62.830 63.100 -0.168 0.000 0.768 70 P CB 0.720 32.376 31.700 -0.074 0.000 0.856 71 E N 2.996 123.155 120.200 -0.069 0.000 2.130 71 E HA -0.253 4.103 4.350 0.010 0.000 0.196 71 E C 1.522 178.094 176.600 -0.047 0.000 0.998 71 E CA 2.003 58.364 56.400 -0.066 0.000 0.806 71 E CB -0.055 29.609 29.700 -0.060 0.000 0.738 71 E HN 0.446 nan 8.360 nan 0.000 0.459 72 S N 0.156 115.849 115.700 -0.011 0.000 2.387 72 S HA -0.220 4.256 4.470 0.010 0.000 0.230 72 S C 1.768 176.383 174.600 0.024 0.000 1.035 72 S CA 1.345 59.546 58.200 0.002 0.000 1.014 72 S CB -1.036 62.178 63.200 0.025 0.000 0.836 72 S HN 0.631 nan 8.310 nan 0.000 0.466 73 W N 2.290 123.498 121.300 -0.154 0.000 2.331 73 W HA -0.097 4.569 4.660 0.010 0.000 0.291 73 W C 1.694 178.103 176.519 -0.184 0.000 1.214 73 W CA 1.577 58.830 57.345 -0.154 0.000 1.228 73 W CB -0.469 28.865 29.460 -0.210 0.000 1.135 73 W HN 0.357 nan 8.180 nan 0.000 0.537 74 L N 0.047 121.068 121.223 -0.337 0.000 2.093 74 L HA -0.149 4.198 4.340 0.010 0.000 0.208 74 L C 2.486 179.131 176.870 -0.376 0.000 1.085 74 L CA 1.293 55.768 54.840 -0.608 0.000 0.755 74 L CB -0.830 40.867 42.059 -0.603 0.000 0.904 74 L HN -0.067 nan 8.230 nan 0.000 0.435 75 E N -0.748 119.319 120.200 -0.221 0.000 2.166 75 E HA 0.017 4.373 4.350 0.010 0.000 0.192 75 E C 0.567 177.092 176.600 -0.124 0.000 0.967 75 E CA 0.551 56.868 56.400 -0.137 0.000 0.840 75 E CB 0.471 30.122 29.700 -0.081 0.000 0.795 75 E HN 0.471 nan 8.360 nan 0.000 0.470 76 C N 0.467 119.699 119.300 -0.113 0.000 3.090 76 C HA 0.488 4.955 4.460 0.010 0.000 0.305 76 C C -0.471 174.498 174.990 -0.036 0.000 1.292 76 C CA -1.177 57.798 59.018 -0.073 0.000 1.482 76 C CB 1.312 29.032 27.740 -0.034 0.000 1.897 76 C HN 0.127 nan 8.230 nan 0.000 0.469 77 D N 1.329 121.723 120.400 -0.011 0.000 2.525 77 D HA 0.325 4.971 4.640 0.010 0.000 0.235 77 D C -0.216 176.152 176.300 0.112 0.000 1.137 77 D CA 0.513 54.550 54.000 0.061 0.000 0.868 77 D CB 0.522 41.348 40.800 0.042 0.000 1.180 77 D HN 0.571 nan 8.370 nan 0.000 0.465 78 L N 5.961 127.297 121.223 0.188 0.000 2.331 78 L HA 0.268 4.614 4.340 0.010 0.000 0.278 78 L C -1.321 175.603 176.870 0.091 0.000 1.106 78 L CA -1.370 53.556 54.840 0.143 0.000 0.824 78 L CB 1.095 43.248 42.059 0.156 0.000 1.142 78 L HN 0.491 nan 8.230 nan 0.000 0.443 79 P HA -0.177 nan 4.420 nan 0.000 0.218 79 P C 1.046 178.371 177.300 0.040 0.000 1.149 79 P CA 0.931 64.059 63.100 0.046 0.000 0.817 79 P CB 0.085 31.806 31.700 0.035 0.000 0.785 80 E N 0.163 120.385 120.200 0.036 0.000 2.347 80 E HA -0.006 4.350 4.350 0.010 0.000 0.196 80 E C 0.740 177.348 176.600 0.013 0.000 1.008 80 E CA 0.148 56.558 56.400 0.016 0.000 0.852 80 E CB -0.727 28.971 29.700 -0.003 0.000 0.783 80 E HN 0.048 nan 8.360 nan 0.000 0.505 81 A N 1.348 124.188 122.820 0.033 0.000 2.466 81 A HA 0.150 4.476 4.320 0.010 0.000 0.238 81 A C -0.533 177.097 177.584 0.077 0.000 1.074 81 A CA 0.048 52.108 52.037 0.037 0.000 0.774 81 A CB 0.197 19.252 19.000 0.091 0.000 1.015 81 A HN 0.146 nan 8.150 nan 0.000 0.498 82 D N -0.730 119.740 120.400 0.118 0.000 2.442 82 D HA 0.574 5.220 4.640 0.010 0.000 0.254 82 D C -0.521 175.880 176.300 0.168 0.000 1.069 82 D CA 0.024 54.111 54.000 0.145 0.000 1.017 82 D CB 1.184 42.109 40.800 0.208 0.000 1.172 82 D HN 0.408 nan 8.370 nan 0.000 0.561 83 T N 0.607 115.243 114.554 0.137 0.000 2.743 83 T HA 0.538 4.894 4.350 0.010 0.000 0.292 83 T C -0.307 174.472 174.700 0.132 0.000 0.972 83 T CA -0.624 61.564 62.100 0.146 0.000 0.967 83 T CB 0.427 69.363 68.868 0.113 0.000 0.926 83 T HN 0.270 nan 8.240 nan 0.000 0.459 84 V N 1.192 121.219 119.914 0.189 0.000 3.102 84 V HA 0.837 4.963 4.120 0.010 0.000 0.312 84 V C -0.255 175.971 176.094 0.220 0.000 1.135 84 V CA -1.197 61.184 62.300 0.136 0.000 1.022 84 V CB 1.627 33.538 31.823 0.146 0.000 1.056 84 V HN 0.572 nan 8.190 nan 0.000 0.436 85 V N 1.320 121.351 119.914 0.195 0.000 2.649 85 V HA 0.678 4.804 4.120 0.010 0.000 0.292 85 V C 0.102 176.289 176.094 0.155 0.000 1.055 85 V CA -0.346 62.063 62.300 0.182 0.000 1.023 85 V CB 0.930 32.835 31.823 0.136 0.000 0.992 85 V HN 0.783 nan 8.190 nan 0.000 0.480 86 V N 5.158 125.089 119.914 0.028 0.000 2.686 86 V HA 0.465 4.591 4.120 0.010 0.000 0.306 86 V C -2.399 173.590 176.094 -0.174 0.000 1.065 86 V CA -1.511 60.673 62.300 -0.195 0.000 0.894 86 V CB 2.441 33.845 31.823 -0.699 0.000 1.004 86 V HN 0.805 nan 8.190 nan 0.000 0.424 87 P HA 0.516 nan 4.420 nan 0.000 0.277 87 P C -0.787 176.444 177.300 -0.115 0.000 1.240 87 P CA -0.169 62.814 63.100 -0.196 0.000 0.798 87 P CB 1.509 33.101 31.700 -0.181 0.000 0.979 88 S N 0.253 115.895 115.700 -0.096 0.000 2.615 88 S HA 0.421 4.897 4.470 0.010 0.000 0.268 88 S C -1.268 173.260 174.600 -0.120 0.000 1.146 88 S CA -1.024 57.095 58.200 -0.136 0.000 0.818 88 S CB 0.496 63.552 63.200 -0.240 0.000 1.111 88 S HN 0.360 nan 8.310 nan 0.000 0.465 89 N N 0.994 119.562 118.700 -0.220 0.000 2.424 89 N HA 0.413 5.159 4.740 0.010 0.000 0.271 89 N C 0.574 175.931 175.510 -0.256 0.000 0.985 89 N CA -0.867 52.037 53.050 -0.244 0.000 0.921 89 N CB 0.738 39.048 38.487 -0.295 0.000 1.149 89 N HN 0.856 nan 8.380 nan 0.000 0.492 90 W N 2.786 123.956 121.300 -0.217 0.000 2.350 90 W HA -0.170 4.497 4.660 0.011 0.000 0.289 90 W C 1.071 177.600 176.519 0.016 0.000 1.215 90 W CA 0.966 58.204 57.345 -0.179 0.000 1.236 90 W CB -0.452 28.896 29.460 -0.187 0.000 1.130 90 W HN 0.500 nan 8.180 nan 0.000 0.541 91 Q N 0.305 120.125 119.800 0.033 0.000 2.181 91 Q HA -0.166 4.180 4.340 0.010 0.000 0.205 91 Q C 2.082 178.040 176.000 -0.070 0.000 0.980 91 Q CA 1.952 57.749 55.803 -0.011 0.000 0.862 91 Q CB -0.658 27.947 28.738 -0.221 0.000 0.905 91 Q HN 0.248 nan 8.270 nan 0.000 0.429 92 M N -0.987 118.536 119.600 -0.129 0.000 2.619 92 M HA -0.034 4.452 4.480 0.010 0.000 0.251 92 M C 0.692 177.053 176.300 0.103 0.000 1.106 92 M CA 1.292 56.535 55.300 -0.096 0.000 1.086 92 M CB -0.535 31.984 32.600 -0.135 0.000 1.465 92 M HN 0.366 nan 8.290 nan 0.000 0.506 93 H N -1.445 117.660 119.070 0.058 0.000 2.622 93 H HA 0.305 4.868 4.556 0.011 0.000 0.269 93 H C 1.260 176.474 175.328 -0.190 0.000 0.977 93 H CA 0.227 56.289 56.048 0.024 0.000 1.179 93 H CB 0.650 30.570 29.762 0.263 0.000 1.458 93 H HN 0.506 nan 8.280 nan 0.000 0.531 94 G N 0.463 109.264 108.800 0.003 0.000 2.176 94 G HA2 -0.337 3.629 3.960 0.010 0.000 0.232 94 G HA3 -0.337 3.629 3.960 0.010 0.000 0.232 94 G C 0.387 175.155 174.900 -0.221 0.000 0.986 94 G CA 0.248 45.266 45.100 -0.137 0.000 0.643 94 G HN 0.429 nan 8.290 nan 0.000 0.522 95 Y N 1.784 122.115 120.300 0.053 0.000 2.224 95 Y HA 0.249 4.805 4.550 0.010 0.000 0.289 95 Y C 1.629 177.318 175.900 -0.351 0.000 1.146 95 Y CA 1.610 59.619 58.100 -0.152 0.000 1.182 95 Y CB 0.078 38.495 38.460 -0.071 0.000 0.983 95 Y HN 0.643 nan 8.280 nan 0.000 0.524 96 D N -2.077 118.434 120.400 0.185 0.000 2.639 96 D HA 0.493 5.139 4.640 0.010 0.000 0.271 96 D C -1.208 175.189 176.300 0.161 0.000 1.254 96 D CA -0.829 53.276 54.000 0.175 0.000 0.810 96 D CB 0.788 41.834 40.800 0.410 0.000 1.351 96 D HN -0.003 nan 8.370 nan 0.000 0.427 97 A N 0.351 123.262 122.820 0.151 0.000 2.354 97 A HA 0.663 4.989 4.320 0.010 0.000 0.269 97 A C -2.273 175.334 177.584 0.039 0.000 1.109 97 A CA -1.116 50.980 52.037 0.098 0.000 0.800 97 A CB -0.052 19.073 19.000 0.208 0.000 1.045 97 A HN 0.547 nan 8.150 nan 0.000 0.489 98 P HA 0.406 nan 4.420 nan 0.000 0.275 98 P C -0.908 176.562 177.300 0.283 0.000 1.227 98 P CA 0.144 63.156 63.100 -0.147 0.000 0.781 98 P CB 0.708 31.969 31.700 -0.732 0.000 0.906 99 I N 3.042 123.901 120.570 0.481 0.000 2.433 99 I HA 0.258 4.434 4.170 0.010 0.000 0.292 99 I C -0.469 175.842 176.117 0.322 0.000 1.001 99 I CA -0.935 60.636 61.300 0.452 0.000 1.119 99 I CB 1.546 39.733 38.000 0.310 0.000 1.289 99 I HN 0.293 nan 8.210 nan 0.000 0.438 100 Y N 6.271 126.501 120.300 -0.115 0.000 2.721 100 Y HA 0.487 5.043 4.550 0.010 0.000 0.328 100 Y C -0.285 175.462 175.900 -0.256 0.000 1.003 100 Y CA -0.407 57.349 58.100 -0.574 0.000 1.275 100 Y CB 1.012 38.573 38.460 -1.497 0.000 1.097 100 Y HN 0.535 nan 8.280 nan 0.000 0.514 101 T N 4.644 118.709 114.554 -0.815 0.000 2.887 101 T HA 0.271 4.627 4.350 0.010 0.000 0.288 101 T C 0.221 174.467 174.700 -0.757 0.000 1.021 101 T CA -0.536 61.122 62.100 -0.735 0.000 1.000 101 T CB 1.159 69.820 68.868 -0.345 0.000 1.034 101 T HN 0.749 nan 8.240 nan 0.000 0.467 102 N N 2.442 120.751 118.700 -0.652 0.000 2.297 102 N HA 0.076 4.823 4.740 0.010 0.000 0.204 102 N C 1.602 176.872 175.510 -0.400 0.000 1.036 102 N CA 1.387 54.195 53.050 -0.402 0.000 0.991 102 N CB -0.691 37.598 38.487 -0.330 0.000 1.198 102 N HN 0.363 nan 8.380 nan 0.000 0.515 103 V N 0.311 119.911 119.914 -0.524 0.000 2.426 103 V HA 0.090 4.216 4.120 0.010 0.000 0.242 103 V C 0.363 176.139 176.094 -0.530 0.000 1.036 103 V CA 0.992 62.871 62.300 -0.702 0.000 1.044 103 V CB -0.731 30.601 31.823 -0.819 0.000 0.688 103 V HN 0.375 nan 8.190 nan 0.000 0.462 104 T N 1.223 115.540 114.554 -0.396 0.000 2.829 104 T HA 0.119 4.475 4.350 0.010 0.000 0.293 104 T C -0.330 174.239 174.700 -0.218 0.000 0.970 104 T CA 0.221 62.165 62.100 -0.260 0.000 1.168 104 T CB -0.382 68.366 68.868 -0.199 0.000 0.911 104 T HN 0.198 nan 8.240 nan 0.000 0.535 105 Y N 5.088 125.296 120.300 -0.154 0.000 2.712 105 Y HA 0.089 4.645 4.550 0.010 0.000 0.333 105 Y C -0.798 174.979 175.900 -0.205 0.000 1.225 105 Y CA -1.741 56.260 58.100 -0.165 0.000 1.499 105 Y CB 0.475 38.842 38.460 -0.155 0.000 1.288 105 Y HN 0.531 nan 8.280 nan 0.000 0.575 106 P HA -0.046 nan 4.420 nan 0.000 0.239 106 P C -0.299 176.789 177.300 -0.353 0.000 1.184 106 P CA 1.207 64.206 63.100 -0.168 0.000 0.760 106 P CB -0.056 31.572 31.700 -0.119 0.000 0.884 107 I N -5.938 114.398 120.570 -0.390 0.000 3.074 107 I HA 0.460 4.636 4.170 0.010 0.000 0.310 107 I C -0.830 175.157 176.117 -0.216 0.000 1.153 107 I CA -1.229 59.817 61.300 -0.424 0.000 0.993 107 I CB 1.862 39.429 38.000 -0.721 0.000 1.237 107 I HN -0.491 nan 8.210 nan 0.000 0.443 108 T N 2.796 117.266 114.554 -0.140 0.000 2.902 108 T HA 0.142 4.498 4.350 0.010 0.000 0.301 108 T C 0.319 175.011 174.700 -0.013 0.000 1.012 108 T CA -0.189 61.882 62.100 -0.048 0.000 1.151 108 T CB 0.431 69.293 68.868 -0.010 0.000 0.946 108 T HN 0.379 nan 8.240 nan 0.000 0.542 109 V N 5.081 125.003 119.914 0.014 0.000 2.359 109 V HA 0.141 4.267 4.120 0.010 0.000 0.248 109 V C 0.877 177.024 176.094 0.087 0.000 1.091 109 V CA -0.011 62.317 62.300 0.046 0.000 1.103 109 V CB -0.775 31.064 31.823 0.027 0.000 1.176 109 V HN 0.855 nan 8.190 nan 0.000 0.488 110 N N 5.268 124.091 118.700 0.206 0.000 2.620 110 N HA 0.236 4.982 4.740 0.010 0.000 0.277 110 N C -2.849 172.801 175.510 0.234 0.000 1.726 110 N CA -1.382 51.785 53.050 0.194 0.000 0.840 110 N CB 1.149 39.762 38.487 0.209 0.000 1.379 110 N HN 0.292 nan 8.380 nan 0.000 0.506 111 P HA 0.074 nan 4.420 nan 0.000 0.263 111 P C -2.257 174.874 177.300 -0.282 0.000 1.175 111 P CA -0.509 62.160 63.100 -0.718 0.000 0.761 111 P CB 0.439 31.519 31.700 -1.034 0.000 0.794 112 P HA 0.210 nan 4.420 nan 0.000 0.259 112 P C -0.343 176.867 177.300 -0.150 0.000 1.530 112 P CA -0.389 62.548 63.100 -0.270 0.000 1.022 112 P CB -0.047 31.446 31.700 -0.344 0.000 1.514 113 F N 1.159 121.261 119.950 0.254 0.000 2.459 113 F HA 0.231 4.764 4.527 0.011 0.000 0.346 113 F C 1.439 177.404 175.800 0.275 0.000 1.128 113 F CA -0.427 57.706 58.000 0.223 0.000 1.268 113 F CB 0.715 39.790 39.000 0.125 0.000 1.161 113 F HN -0.173 nan 8.300 nan 0.000 0.583 114 V N 0.037 120.203 119.914 0.421 0.000 3.074 114 V HA 0.708 4.834 4.120 0.010 0.000 0.314 114 V C -2.715 173.537 176.094 0.263 0.000 1.117 114 V CA -2.808 59.660 62.300 0.280 0.000 1.014 114 V CB 1.525 33.550 31.823 0.338 0.000 1.057 114 V HN 0.483 nan 8.190 nan 0.000 0.438 115 P HA 0.199 nan 4.420 nan 0.000 0.267 115 P C 1.107 178.554 177.300 0.246 0.000 1.200 115 P CA 0.569 63.775 63.100 0.176 0.000 0.772 115 P CB 0.572 32.359 31.700 0.146 0.000 0.855 116 T N -1.309 113.360 114.554 0.192 0.000 2.788 116 T HA -0.148 4.208 4.350 0.010 0.000 0.268 116 T C 0.528 175.338 174.700 0.184 0.000 1.044 116 T CA 1.005 63.218 62.100 0.189 0.000 1.139 116 T CB -0.651 68.299 68.868 0.136 0.000 0.867 116 T HN 0.387 nan 8.240 nan 0.000 0.454 117 E N 2.516 122.828 120.200 0.186 0.000 2.003 117 E HA 0.309 4.666 4.350 0.010 0.000 0.279 117 E C -0.716 176.047 176.600 0.271 0.000 1.132 117 E CA -0.353 56.165 56.400 0.196 0.000 0.888 117 E CB 0.191 30.010 29.700 0.199 0.000 1.056 117 E HN 0.264 nan 8.360 nan 0.000 0.399 118 N N 4.735 123.552 118.700 0.196 0.000 2.617 118 N HA 0.253 4.999 4.740 0.010 0.000 0.263 118 N C -2.858 172.636 175.510 -0.027 0.000 1.074 118 N CA -2.536 50.633 53.050 0.197 0.000 0.841 118 N CB 1.069 39.669 38.487 0.188 0.000 1.221 118 N HN 0.064 nan 8.380 nan 0.000 0.529 119 P HA 0.011 nan 4.420 nan 0.000 0.261 119 P C -0.819 176.337 177.300 -0.241 0.000 1.173 119 P CA 0.510 63.474 63.100 -0.227 0.000 0.760 119 P CB 0.372 32.248 31.700 0.295 0.000 0.783 120 T N 2.625 116.771 114.554 -0.680 0.000 2.840 120 T HA 0.561 4.917 4.350 0.010 0.000 0.287 120 T C 0.216 174.382 174.700 -0.891 0.000 0.991 120 T CA -0.587 61.194 62.100 -0.532 0.000 0.964 120 T CB 1.595 70.201 68.868 -0.438 0.000 0.954 120 T HN 0.352 nan 8.240 nan 0.000 0.438 121 G N 1.222 109.580 108.800 -0.737 0.000 2.384 121 G HA2 0.491 4.457 3.960 0.010 0.000 0.316 121 G HA3 0.491 4.457 3.960 0.010 0.000 0.316 121 G C -0.247 174.410 174.900 -0.404 0.000 1.160 121 G CA -0.378 44.180 45.100 -0.904 0.000 0.936 121 G HN 0.880 nan 8.290 nan 0.000 0.455 122 C N 2.965 121.775 119.300 -0.817 0.000 2.265 122 C HA 0.531 4.997 4.460 0.010 0.000 0.332 122 C C -0.511 174.432 174.990 -0.079 0.000 1.248 122 C CA -0.885 57.837 59.018 -0.493 0.000 1.727 122 C CB -1.373 25.577 27.740 -1.318 0.000 2.348 122 C HN 0.627 nan 8.230 nan 0.000 0.519 123 Y N 1.759 122.345 120.300 0.478 0.000 2.457 123 Y HA 0.679 5.236 4.550 0.011 0.000 0.333 123 Y C 0.711 177.071 175.900 0.766 0.000 1.119 123 Y CA -0.456 58.045 58.100 0.669 0.000 1.143 123 Y CB 1.491 40.348 38.460 0.661 0.000 1.230 123 Y HN 0.708 nan 8.280 nan 0.000 0.469 124 S N 1.762 117.945 115.700 0.805 0.000 2.537 124 S HA 0.744 5.220 4.470 0.010 0.000 0.271 124 S C -2.018 172.604 174.600 0.036 0.000 1.148 124 S CA -0.799 57.623 58.200 0.370 0.000 0.868 124 S CB 1.894 65.209 63.200 0.191 0.000 1.115 124 S HN 0.648 nan 8.310 nan 0.000 0.461 125 L N 1.059 122.106 121.223 -0.293 0.000 2.470 125 L HA 0.710 5.056 4.340 0.010 0.000 0.268 125 L C -0.841 175.929 176.870 -0.168 0.000 0.964 125 L CA 0.106 54.593 54.840 -0.589 0.000 0.839 125 L CB 2.278 43.379 42.059 -1.597 0.000 1.276 125 L HN 0.873 nan 8.230 nan 0.000 0.403 126 T N 6.153 120.653 114.554 -0.090 0.000 2.728 126 T HA 0.660 5.016 4.350 0.010 0.000 0.296 126 T C -0.733 174.041 174.700 0.123 0.000 0.940 126 T CA 0.161 62.272 62.100 0.019 0.000 1.013 126 T CB -0.250 68.600 68.868 -0.031 0.000 0.912 126 T HN 0.467 nan 8.240 nan 0.000 0.484 127 F N 2.103 121.958 119.950 -0.157 0.000 2.715 127 F HA 0.718 5.252 4.527 0.011 0.000 0.318 127 F C -0.833 174.899 175.800 -0.114 0.000 1.141 127 F CA -1.613 56.302 58.000 -0.143 0.000 0.950 127 F CB 1.437 40.333 39.000 -0.173 0.000 1.374 127 F HN 0.388 nan 8.300 nan 0.000 0.477 128 N N 0.158 118.697 118.700 -0.267 0.000 2.430 128 N HA 0.696 5.443 4.740 0.010 0.000 0.298 128 N C -2.155 173.203 175.510 -0.254 0.000 1.130 128 N CA -0.536 52.320 53.050 -0.323 0.000 0.894 128 N CB 2.219 40.604 38.487 -0.170 0.000 1.209 128 N HN 0.663 nan 8.380 nan 0.000 0.503 129 V N 1.793 121.537 119.914 -0.284 0.000 2.638 129 V HA 0.315 4.442 4.120 0.010 0.000 0.306 129 V C -0.840 175.142 176.094 -0.187 0.000 1.052 129 V CA -0.940 61.214 62.300 -0.243 0.000 0.885 129 V CB 1.771 33.510 31.823 -0.140 0.000 0.999 129 V HN 0.759 nan 8.190 nan 0.000 0.424 130 D N 3.056 123.318 120.400 -0.230 0.000 2.302 130 D HA 0.161 4.807 4.640 0.010 0.000 0.248 130 D C 0.898 177.213 176.300 0.024 0.000 1.094 130 D CA -0.142 53.800 54.000 -0.097 0.000 0.897 130 D CB 2.199 42.947 40.800 -0.087 0.000 1.200 130 D HN 0.649 nan 8.370 nan 0.000 0.429 131 E N 0.908 121.130 120.200 0.037 0.000 2.136 131 E HA -0.263 4.094 4.350 0.010 0.000 0.202 131 E C 1.939 178.617 176.600 0.130 0.000 1.019 131 E CA 1.923 58.366 56.400 0.072 0.000 0.819 131 E CB 0.157 29.883 29.700 0.042 0.000 0.739 131 E HN 0.489 nan 8.360 nan 0.000 0.458 132 S N 0.083 115.871 115.700 0.146 0.000 2.378 132 S HA -0.258 4.219 4.470 0.010 0.000 0.229 132 S C 1.603 176.308 174.600 0.176 0.000 1.052 132 S CA 1.572 59.866 58.200 0.157 0.000 1.084 132 S CB -1.018 62.301 63.200 0.198 0.000 0.950 132 S HN 0.388 nan 8.310 nan 0.000 0.440 133 W N 1.894 123.154 121.300 -0.067 0.000 2.358 133 W HA 0.172 4.839 4.660 0.010 0.000 0.303 133 W C 2.353 178.949 176.519 0.128 0.000 1.208 133 W CA 0.291 57.614 57.345 -0.037 0.000 1.274 133 W CB -0.805 28.698 29.460 0.071 0.000 1.138 133 W HN 0.265 nan 8.180 nan 0.000 0.515 134 L N 0.008 121.434 121.223 0.338 0.000 2.240 134 L HA -0.151 4.195 4.340 0.010 0.000 0.211 134 L C 2.413 179.376 176.870 0.155 0.000 1.106 134 L CA 0.847 55.824 54.840 0.227 0.000 0.793 134 L CB -0.888 41.272 42.059 0.167 0.000 0.927 134 L HN 0.049 nan 8.230 nan 0.000 0.446 135 Q N 0.905 120.783 119.800 0.129 0.000 2.230 135 Q HA -0.037 4.309 4.340 0.010 0.000 0.202 135 Q C 0.374 176.423 176.000 0.082 0.000 0.963 135 Q CA 0.702 56.557 55.803 0.086 0.000 0.866 135 Q CB 0.055 28.830 28.738 0.062 0.000 0.931 135 Q HN 0.683 nan 8.270 nan 0.000 0.452 136 E N -1.202 119.064 120.200 0.110 0.000 2.433 136 E HA 0.515 4.871 4.350 0.010 0.000 0.278 136 E C -0.074 176.628 176.600 0.171 0.000 0.976 136 E CA -0.520 55.941 56.400 0.100 0.000 0.793 136 E CB 1.613 31.354 29.700 0.069 0.000 1.311 136 E HN 0.042 nan 8.360 nan 0.000 0.460 137 G N 0.993 109.841 108.800 0.079 0.000 2.645 137 G HA2 -0.320 3.646 3.960 0.010 0.000 0.246 137 G HA3 -0.320 3.646 3.960 0.010 0.000 0.246 137 G C -0.631 174.188 174.900 -0.135 0.000 1.322 137 G CA 0.278 45.353 45.100 -0.041 0.000 0.898 137 G HN 0.793 nan 8.290 nan 0.000 0.573 138 Q N -0.385 119.162 119.800 -0.422 0.000 2.322 138 Q HA 0.625 4.971 4.340 0.010 0.000 0.265 138 Q C -0.918 174.859 176.000 -0.371 0.000 0.985 138 Q CA -0.399 55.224 55.803 -0.300 0.000 0.849 138 Q CB 1.289 29.907 28.738 -0.201 0.000 1.274 138 Q HN 0.581 nan 8.270 nan 0.000 0.449 139 T N 5.278 119.815 114.554 -0.028 0.000 2.788 139 T HA 0.453 4.809 4.350 0.010 0.000 0.296 139 T C -0.704 174.107 174.700 0.184 0.000 1.009 139 T CA -0.647 61.553 62.100 0.166 0.000 0.949 139 T CB 0.445 69.570 68.868 0.428 0.000 0.946 139 T HN 0.652 nan 8.240 nan 0.000 0.453 140 R N 3.029 123.627 120.500 0.164 0.000 2.803 140 R HA 0.770 5.116 4.340 0.010 0.000 0.276 140 R C -1.208 175.198 176.300 0.175 0.000 0.978 140 R CA -0.964 55.234 56.100 0.163 0.000 0.939 140 R CB 1.569 31.933 30.300 0.107 0.000 1.179 140 R HN 0.570 nan 8.270 nan 0.000 0.472 141 I N 2.873 123.552 120.570 0.181 0.000 2.460 141 I HA 0.436 4.613 4.170 0.010 0.000 0.298 141 I C -1.208 174.964 176.117 0.092 0.000 0.989 141 I CA -1.334 60.032 61.300 0.109 0.000 1.173 141 I CB 1.374 39.467 38.000 0.155 0.000 1.338 141 I HN 0.673 nan 8.210 nan 0.000 0.456 142 I N 7.239 127.756 120.570 -0.089 0.000 2.439 142 I HA 0.270 4.446 4.170 0.010 0.000 0.285 142 I C -1.215 174.724 176.117 -0.297 0.000 1.021 142 I CA -0.110 61.138 61.300 -0.087 0.000 1.091 142 I CB 1.453 39.412 38.000 -0.068 0.000 1.242 142 I HN 0.347 nan 8.210 nan 0.000 0.439 143 F N 4.914 124.833 119.950 -0.053 0.000 2.303 143 F HA 0.269 4.802 4.527 0.010 0.000 0.368 143 F C 1.362 177.031 175.800 -0.218 0.000 1.105 143 F CA -0.422 57.479 58.000 -0.164 0.000 1.153 143 F CB 0.488 39.372 39.000 -0.193 0.000 1.362 143 F HN 0.478 nan 8.300 nan 0.000 0.511 144 D N 2.254 122.539 120.400 -0.193 0.000 2.178 144 D HA -0.022 4.624 4.640 0.010 0.000 0.201 144 D C 1.137 177.239 176.300 -0.330 0.000 0.980 144 D CA 1.119 54.967 54.000 -0.254 0.000 0.842 144 D CB 0.298 40.897 40.800 -0.334 0.000 0.948 144 D HN 0.596 nan 8.370 nan 0.000 0.472 145 G N -0.474 108.041 108.800 -0.476 0.000 2.413 145 G HA2 0.441 4.407 3.960 0.010 0.000 0.285 145 G HA3 0.441 4.407 3.960 0.010 0.000 0.285 145 G C -1.403 173.050 174.900 -0.745 0.000 1.337 145 G CA -0.425 44.197 45.100 -0.798 0.000 1.324 145 G HN -0.049 nan 8.290 nan 0.000 0.611 146 V N 2.635 122.382 119.914 -0.278 0.000 2.443 146 V HA 0.461 4.588 4.120 0.010 0.000 0.293 146 V C -0.664 175.520 176.094 0.150 0.000 1.021 146 V CA -1.219 60.999 62.300 -0.136 0.000 0.848 146 V CB 1.721 33.225 31.823 -0.531 0.000 0.998 146 V HN 0.652 nan 8.190 nan 0.000 0.424 147 N N 2.731 121.561 118.700 0.218 0.000 2.501 147 N HA 0.275 5.021 4.740 0.010 0.000 0.245 147 N C 0.762 176.225 175.510 -0.078 0.000 0.974 147 N CA 0.189 53.269 53.050 0.049 0.000 0.941 147 N CB 1.962 40.330 38.487 -0.197 0.000 1.122 147 N HN 0.708 nan 8.380 nan 0.000 0.507 148 S N 1.756 117.445 115.700 -0.018 0.000 2.520 148 S HA 0.555 5.032 4.470 0.010 0.000 0.219 148 S C 0.427 175.096 174.600 0.116 0.000 1.028 148 S CA -0.028 58.213 58.200 0.069 0.000 0.921 148 S CB 0.434 63.694 63.200 0.099 0.000 0.844 148 S HN 0.576 nan 8.310 nan 0.000 0.495 149 A N 0.859 123.756 122.820 0.128 0.000 2.609 149 A HA 0.810 5.137 4.320 0.010 0.000 0.291 149 A C -1.346 176.325 177.584 0.144 0.000 1.096 149 A CA -0.998 51.068 52.037 0.049 0.000 0.684 149 A CB 0.925 19.977 19.000 0.086 0.000 1.282 149 A HN 1.118 nan 8.150 nan 0.000 0.412 150 F N -0.843 118.867 119.950 -0.401 0.000 2.725 150 F HA 0.686 5.219 4.527 0.010 0.000 0.309 150 F C -1.231 174.416 175.800 -0.255 0.000 1.132 150 F CA -0.819 57.060 58.000 -0.202 0.000 0.957 150 F CB 1.009 39.912 39.000 -0.162 0.000 1.286 150 F HN 0.652 nan 8.300 nan 0.000 0.440 151 H N 1.886 121.042 119.070 0.143 0.000 2.533 151 H HA 0.748 5.311 4.556 0.011 0.000 0.343 151 H C -1.357 173.895 175.328 -0.126 0.000 1.160 151 H CA -0.709 55.299 56.048 -0.066 0.000 1.218 151 H CB 2.498 32.259 29.762 -0.002 0.000 1.566 151 H HN 0.809 nan 8.280 nan 0.000 0.522 152 L N 2.305 123.260 121.223 -0.446 0.000 2.408 152 L HA 0.419 4.766 4.340 0.010 0.000 0.268 152 L C -1.718 174.794 176.870 -0.596 0.000 0.986 152 L CA -0.483 54.155 54.840 -0.336 0.000 0.820 152 L CB 1.784 43.562 42.059 -0.468 0.000 1.303 152 L HN 0.515 nan 8.230 nan 0.000 0.411 153 W N 4.141 125.390 121.300 -0.086 0.000 2.844 153 W HA 0.602 5.269 4.660 0.011 0.000 0.340 153 W C -1.239 175.227 176.519 -0.088 0.000 1.093 153 W CA -0.837 56.461 57.345 -0.079 0.000 1.212 153 W CB 2.065 31.528 29.460 0.004 0.000 1.422 153 W HN 0.624 nan 8.180 nan 0.000 0.515 154 C N 4.766 124.175 119.300 0.181 0.000 2.397 154 C HA 0.297 4.763 4.460 0.010 0.000 0.325 154 C C 0.153 175.295 174.990 0.252 0.000 1.201 154 C CA -0.366 58.761 59.018 0.182 0.000 1.377 154 C CB -0.661 27.151 27.740 0.120 0.000 2.038 154 C HN 0.803 nan 8.230 nan 0.000 0.457 155 N N 3.764 122.555 118.700 0.153 0.000 2.740 155 N HA -0.185 4.561 4.740 0.010 0.000 0.248 155 N C 0.974 176.548 175.510 0.108 0.000 1.062 155 N CA 1.944 55.052 53.050 0.097 0.000 0.704 155 N CB -1.350 37.192 38.487 0.091 0.000 0.968 155 N HN 1.837 nan 8.380 nan 0.000 0.547 156 G N -1.144 107.710 108.800 0.089 0.000 2.234 156 G HA2 -0.381 3.585 3.960 0.010 0.000 0.260 156 G HA3 -0.381 3.585 3.960 0.010 0.000 0.260 156 G C 0.159 175.207 174.900 0.247 0.000 0.987 156 G CA 0.669 45.811 45.100 0.070 0.000 0.625 156 G HN 0.567 nan 8.290 nan 0.000 0.532 157 R N -0.777 119.944 120.500 0.368 0.000 2.312 157 R HA 0.423 4.769 4.340 0.010 0.000 0.311 157 R C -0.026 176.638 176.300 0.605 0.000 1.004 157 R CA -0.827 55.578 56.100 0.509 0.000 0.902 157 R CB 0.903 31.528 30.300 0.541 0.000 1.073 157 R HN 0.239 nan 8.270 nan 0.000 0.457 158 W N 3.707 125.239 121.300 0.386 0.000 2.210 158 W HA 0.046 4.712 4.660 0.010 0.000 0.330 158 W C 0.145 176.521 176.519 -0.237 0.000 1.334 158 W CA 0.014 57.211 57.345 -0.248 0.000 1.227 158 W CB 0.643 29.926 29.460 -0.295 0.000 1.178 158 W HN 0.341 nan 8.180 nan 0.000 0.560 159 V N 5.113 124.285 119.914 -1.236 0.000 2.627 159 V HA 0.536 4.662 4.120 0.010 0.000 0.239 159 V C 1.093 176.076 176.094 -1.852 0.000 1.077 159 V CA 1.109 62.573 62.300 -1.394 0.000 1.103 159 V CB -0.589 30.497 31.823 -1.227 0.000 0.802 159 V HN 0.859 nan 8.190 nan 0.000 0.482 160 G N -1.888 105.557 108.800 -2.258 0.000 2.321 160 G HA2 0.410 4.376 3.960 0.010 0.000 0.296 160 G HA3 0.410 4.376 3.960 0.010 0.000 0.296 160 G C -2.411 171.933 174.900 -0.925 0.000 1.287 160 G CA -0.344 43.748 45.100 -1.680 0.000 0.846 160 G HN -0.013 nan 8.290 nan 0.000 0.508 161 Y N -0.318 119.648 120.300 -0.557 0.000 2.570 161 Y HA 0.741 5.298 4.550 0.010 0.000 0.345 161 Y C 0.165 175.803 175.900 -0.436 0.000 1.014 161 Y CA 0.029 57.769 58.100 -0.600 0.000 1.063 161 Y CB 2.459 40.715 38.460 -0.338 0.000 1.272 161 Y HN 1.183 nan 8.280 nan 0.000 0.477 162 G N 3.428 111.426 108.800 -1.336 0.000 2.759 162 G HA2 0.542 4.509 3.960 0.010 0.000 0.297 162 G HA3 0.542 4.509 3.960 0.010 0.000 0.297 162 G C -2.126 172.377 174.900 -0.662 0.000 1.434 162 G CA -0.855 43.773 45.100 -0.787 0.000 0.980 162 G HN 0.600 nan 8.290 nan 0.000 0.531 163 Q N -0.046 119.591 119.800 -0.271 0.000 2.633 163 Q HA 0.607 4.953 4.340 0.010 0.000 0.292 163 Q C -1.222 174.790 176.000 0.020 0.000 1.089 163 Q CA -0.895 54.856 55.803 -0.086 0.000 0.811 163 Q CB 2.474 31.207 28.738 -0.008 0.000 1.472 163 Q HN 0.622 nan 8.270 nan 0.000 0.464 164 D N -0.103 120.343 120.400 0.077 0.000 4.535 164 D HA -0.098 4.548 4.640 0.010 0.000 0.236 164 D C -0.478 175.890 176.300 0.113 0.000 1.142 164 D CA 0.448 54.506 54.000 0.097 0.000 1.102 164 D CB -0.561 40.279 40.800 0.066 0.000 0.703 164 D HN 0.554 nan 8.370 nan 0.000 0.331 165 S N 3.214 119.000 115.700 0.144 0.000 2.547 165 S HA -0.060 4.416 4.470 0.010 0.000 0.235 165 S C 1.552 176.295 174.600 0.239 0.000 0.980 165 S CA 0.481 58.802 58.200 0.203 0.000 0.941 165 S CB 0.265 63.575 63.200 0.183 0.000 0.763 165 S HN 0.463 nan 8.310 nan 0.000 0.532 166 R N 0.312 120.910 120.500 0.163 0.000 2.509 166 R HA 0.417 4.763 4.340 0.010 0.000 0.300 166 R C -0.434 175.923 176.300 0.095 0.000 0.985 166 R CA 0.075 56.268 56.100 0.154 0.000 1.092 166 R CB 0.086 30.509 30.300 0.204 0.000 1.237 166 R HN 0.330 nan 8.270 nan 0.000 0.546 167 L N 1.688 122.934 121.223 0.039 0.000 2.388 167 L HA 0.473 4.819 4.340 0.010 0.000 0.264 167 L C -2.408 174.428 176.870 -0.055 0.000 0.998 167 L CA -2.396 52.437 54.840 -0.012 0.000 0.817 167 L CB 2.854 44.902 42.059 -0.020 0.000 1.338 167 L HN -0.212 nan 8.230 nan 0.000 0.414 168 P HA 0.047 nan 4.420 nan 0.000 0.265 168 P C -0.821 176.429 177.300 -0.083 0.000 1.193 168 P CA -0.014 63.025 63.100 -0.103 0.000 0.765 168 P CB 0.880 32.484 31.700 -0.160 0.000 0.823 169 S N 2.147 117.850 115.700 0.005 0.000 2.437 169 S HA 0.313 4.789 4.470 0.010 0.000 0.305 169 S C -0.299 174.214 174.600 -0.146 0.000 1.109 169 S CA -0.564 57.600 58.200 -0.059 0.000 1.099 169 S CB 0.780 64.091 63.200 0.187 0.000 1.004 169 S HN 0.368 nan 8.310 nan 0.000 0.475 170 E N 1.980 121.902 120.200 -0.462 0.000 2.222 170 E HA 0.568 4.924 4.350 0.010 0.000 0.267 170 E C -1.485 174.660 176.600 -0.758 0.000 0.884 170 E CA -0.563 55.615 56.400 -0.370 0.000 0.764 170 E CB 1.575 31.193 29.700 -0.137 0.000 1.169 170 E HN 0.419 nan 8.360 nan 0.000 0.413 171 F N 0.420 120.422 119.950 0.088 0.000 2.578 171 F HA 0.233 4.766 4.527 0.011 0.000 0.311 171 F C -0.022 175.802 175.800 0.039 0.000 1.094 171 F CA -1.229 56.782 58.000 0.019 0.000 0.923 171 F CB 1.258 40.210 39.000 -0.079 0.000 1.230 171 F HN 0.238 nan 8.300 nan 0.000 0.450 172 D N 2.625 123.155 120.400 0.217 0.000 2.343 172 D HA 0.239 4.885 4.640 0.010 0.000 0.255 172 D C 0.351 176.791 176.300 0.233 0.000 1.187 172 D CA 0.258 54.370 54.000 0.186 0.000 0.875 172 D CB 1.034 41.930 40.800 0.161 0.000 1.136 172 D HN 0.613 nan 8.370 nan 0.000 0.469 173 L N 2.682 124.056 121.223 0.252 0.000 2.693 173 L HA 0.023 4.369 4.340 0.010 0.000 0.235 173 L C 2.188 179.295 176.870 0.396 0.000 1.127 173 L CA -0.207 54.836 54.840 0.338 0.000 0.914 173 L CB 0.017 42.242 42.059 0.278 0.000 1.193 173 L HN 0.281 nan 8.230 nan 0.000 0.502 174 S N 1.602 117.472 115.700 0.282 0.000 2.393 174 S HA -0.305 4.171 4.470 0.010 0.000 0.234 174 S C 1.868 176.576 174.600 0.180 0.000 1.064 174 S CA 2.058 60.384 58.200 0.211 0.000 1.088 174 S CB -0.179 63.102 63.200 0.136 0.000 0.939 174 S HN 0.569 nan 8.310 nan 0.000 0.448 175 A N -1.020 121.900 122.820 0.166 0.000 2.307 175 A HA 0.439 4.765 4.320 0.010 0.000 0.218 175 A C 1.155 178.620 177.584 -0.199 0.000 1.228 175 A CA -0.008 52.011 52.037 -0.030 0.000 0.857 175 A CB -0.344 18.558 19.000 -0.164 0.000 0.897 175 A HN 0.454 nan 8.150 nan 0.000 0.495 176 F N -0.530 119.467 119.950 0.079 0.000 2.653 176 F HA 0.344 4.877 4.527 0.010 0.000 0.288 176 F C 0.855 176.695 175.800 0.066 0.000 1.121 176 F CA -0.111 57.934 58.000 0.074 0.000 1.384 176 F CB 0.090 39.141 39.000 0.085 0.000 1.115 176 F HN -0.005 nan 8.300 nan 0.000 0.599 177 L N 1.684 123.054 121.223 0.245 0.000 2.453 177 L HA 0.377 4.723 4.340 0.010 0.000 0.261 177 L C 0.178 177.089 176.870 0.068 0.000 1.179 177 L CA -0.353 54.576 54.840 0.148 0.000 0.813 177 L CB 0.817 42.989 42.059 0.188 0.000 1.110 177 L HN 0.112 nan 8.230 nan 0.000 0.466 178 R N 1.251 121.754 120.500 0.006 0.000 2.740 178 R HA 0.745 5.091 4.340 0.010 0.000 0.273 178 R C -1.089 175.183 176.300 -0.046 0.000 0.998 178 R CA -0.884 55.207 56.100 -0.014 0.000 0.900 178 R CB 1.526 31.807 30.300 -0.032 0.000 1.223 178 R HN 0.552 nan 8.270 nan 0.000 0.466 179 A N 1.590 124.394 122.820 -0.028 0.000 2.540 179 A HA 0.474 4.801 4.320 0.010 0.000 0.239 179 A C 1.133 178.667 177.584 -0.083 0.000 1.061 179 A CA 1.175 53.185 52.037 -0.044 0.000 0.758 179 A CB -0.764 18.224 19.000 -0.020 0.000 0.991 179 A HN 1.446 nan 8.150 nan 0.000 0.502 180 G N 1.681 110.412 108.800 -0.116 0.000 2.545 180 G HA2 -0.165 3.801 3.960 0.010 0.000 0.240 180 G HA3 -0.165 3.801 3.960 0.010 0.000 0.240 180 G C -0.055 174.707 174.900 -0.230 0.000 1.172 180 G CA 0.277 45.291 45.100 -0.142 0.000 0.949 180 G HN 1.054 nan 8.290 nan 0.000 0.574 181 E N 1.669 121.744 120.200 -0.209 0.000 2.324 181 E HA 0.469 4.826 4.350 0.010 0.000 0.271 181 E C 0.188 176.590 176.600 -0.329 0.000 1.028 181 E CA -0.004 56.231 56.400 -0.275 0.000 0.890 181 E CB 0.310 29.901 29.700 -0.182 0.000 1.004 181 E HN 0.450 nan 8.360 nan 0.000 0.431 182 N N 2.830 121.189 118.700 -0.567 0.000 2.321 182 N HA 0.417 5.163 4.740 0.010 0.000 0.290 182 N C -1.100 174.202 175.510 -0.346 0.000 1.212 182 N CA -0.764 51.968 53.050 -0.530 0.000 0.767 182 N CB 2.063 40.033 38.487 -0.862 0.000 1.494 182 N HN 0.292 nan 8.380 nan 0.000 0.479 183 R N 1.578 122.036 120.500 -0.070 0.000 2.476 183 R HA 0.464 4.810 4.340 0.010 0.000 0.305 183 R C -1.249 175.128 176.300 0.128 0.000 0.965 183 R CA -0.493 55.632 56.100 0.042 0.000 0.867 183 R CB 0.854 31.127 30.300 -0.046 0.000 1.176 183 R HN 0.476 nan 8.270 nan 0.000 0.447 184 L N 3.302 124.620 121.223 0.159 0.000 2.334 184 L HA 0.713 5.059 4.340 0.010 0.000 0.277 184 L C -0.192 176.722 176.870 0.073 0.000 1.075 184 L CA -0.812 54.115 54.840 0.145 0.000 0.804 184 L CB 1.843 43.981 42.059 0.131 0.000 1.174 184 L HN 0.794 nan 8.230 nan 0.000 0.438 185 A N 3.351 126.230 122.820 0.098 0.000 2.357 185 A HA 0.702 5.028 4.320 0.010 0.000 0.295 185 A C -1.005 176.825 177.584 0.409 0.000 1.121 185 A CA -0.445 51.542 52.037 -0.082 0.000 0.742 185 A CB 1.422 19.787 19.000 -1.058 0.000 1.181 185 A HN 0.371 nan 8.150 nan 0.000 0.454 186 V N 3.259 123.588 119.914 0.692 0.000 2.378 186 V HA 0.460 4.586 4.120 0.010 0.000 0.288 186 V C 0.044 176.693 176.094 0.925 0.000 1.016 186 V CA -0.283 62.453 62.300 0.725 0.000 0.840 186 V CB 1.356 33.405 31.823 0.377 0.000 0.994 186 V HN 0.953 nan 8.190 nan 0.000 0.431 187 M N 6.098 126.254 119.600 0.926 0.000 2.055 187 M HA 0.497 4.983 4.480 0.010 0.000 0.347 187 M C -1.276 175.287 176.300 0.437 0.000 1.123 187 M CA -0.352 55.307 55.300 0.599 0.000 1.035 187 M CB 0.921 33.924 32.600 0.673 0.000 1.484 187 M HN 0.483 nan 8.290 nan 0.000 0.428 188 V N 6.995 127.117 119.914 0.348 0.000 2.364 188 V HA 0.328 4.454 4.120 0.010 0.000 0.272 188 V C -0.078 176.181 176.094 0.275 0.000 1.036 188 V CA -0.597 61.908 62.300 0.342 0.000 0.880 188 V CB 1.026 33.117 31.823 0.446 0.000 0.991 188 V HN 0.772 nan 8.190 nan 0.000 0.460 189 L N 5.051 126.369 121.223 0.158 0.000 2.276 189 L HA 0.508 4.854 4.340 0.010 0.000 0.286 189 L C 1.562 178.441 176.870 0.014 0.000 1.061 189 L CA -0.444 54.413 54.840 0.029 0.000 0.807 189 L CB 0.902 42.884 42.059 -0.128 0.000 1.177 189 L HN 0.608 nan 8.230 nan 0.000 0.429 190 R N 3.188 123.638 120.500 -0.085 0.000 2.080 190 R HA -0.087 4.259 4.340 0.010 0.000 0.236 190 R C -0.334 175.634 176.300 -0.552 0.000 1.137 190 R CA 1.573 57.375 56.100 -0.496 0.000 0.943 190 R CB 0.152 29.958 30.300 -0.824 0.000 0.846 190 R HN 0.603 nan 8.270 nan 0.000 0.431 191 W N -0.357 120.996 121.300 0.087 0.000 2.706 191 W HA 0.500 5.166 4.660 0.010 0.000 0.346 191 W C -0.386 176.235 176.519 0.170 0.000 1.071 191 W CA -0.785 56.616 57.345 0.094 0.000 1.206 191 W CB 1.715 31.226 29.460 0.084 0.000 1.413 191 W HN 0.072 nan 8.180 nan 0.000 0.542 192 S N -1.318 114.657 115.700 0.457 0.000 2.703 192 S HA 0.176 4.652 4.470 0.010 0.000 0.273 192 S C 0.050 174.865 174.600 0.357 0.000 1.178 192 S CA -0.308 58.165 58.200 0.455 0.000 0.838 192 S CB 0.997 64.464 63.200 0.445 0.000 1.178 192 S HN 0.628 nan 8.310 nan 0.000 0.494 193 D N 0.472 121.095 120.400 0.371 0.000 2.218 193 D HA 0.072 4.718 4.640 0.010 0.000 0.204 193 D C 1.773 178.358 176.300 0.475 0.000 0.976 193 D CA 1.265 55.536 54.000 0.452 0.000 0.853 193 D CB -0.773 40.169 40.800 0.237 0.000 0.939 193 D HN 0.725 nan 8.370 nan 0.000 0.481 194 G N -0.094 108.910 108.800 0.340 0.000 2.471 194 G HA2 -0.227 3.739 3.960 0.010 0.000 0.219 194 G HA3 -0.227 3.739 3.960 0.010 0.000 0.219 194 G C 1.665 176.745 174.900 0.300 0.000 1.125 194 G CA 0.656 45.940 45.100 0.305 0.000 0.775 194 G HN 0.310 nan 8.290 nan 0.000 0.548 195 S N -0.245 115.616 115.700 0.268 0.000 2.423 195 S HA -0.072 4.404 4.470 0.010 0.000 0.231 195 S C 1.850 176.563 174.600 0.189 0.000 1.014 195 S CA 0.502 58.831 58.200 0.216 0.000 0.965 195 S CB -0.388 62.927 63.200 0.191 0.000 0.785 195 S HN 0.568 nan 8.310 nan 0.000 0.495 196 Y N 1.129 121.549 120.300 0.201 0.000 2.497 196 Y HA 0.076 4.632 4.550 0.010 0.000 0.292 196 Y C 1.510 177.521 175.900 0.185 0.000 1.137 196 Y CA 0.561 58.697 58.100 0.059 0.000 1.285 196 Y CB -0.131 38.263 38.460 -0.110 0.000 0.991 196 Y HN 0.195 nan 8.280 nan 0.000 0.556 197 L N -0.458 120.975 121.223 0.350 0.000 2.728 197 L HA 0.143 4.489 4.340 0.010 0.000 0.238 197 L C 0.026 177.053 176.870 0.262 0.000 1.143 197 L CA 0.359 55.364 54.840 0.276 0.000 0.937 197 L CB 0.174 42.401 42.059 0.281 0.000 1.225 197 L HN 0.111 nan 8.230 nan 0.000 0.507 198 E N -0.023 120.347 120.200 0.283 0.000 3.846 198 E HA 0.048 4.404 4.350 0.010 0.000 0.216 198 E C -0.532 176.200 176.600 0.220 0.000 1.092 198 E CA -0.046 56.504 56.400 0.250 0.000 1.370 198 E CB 0.558 30.396 29.700 0.229 0.000 1.227 198 E HN 0.037 nan 8.360 nan 0.000 0.442 199 D N 1.147 121.641 120.400 0.157 0.000 2.538 199 D HA 0.024 4.671 4.640 0.010 0.000 0.234 199 D C -0.127 176.187 176.300 0.024 0.000 1.191 199 D CA -0.047 53.935 54.000 -0.030 0.000 0.828 199 D CB 0.159 40.687 40.800 -0.453 0.000 0.981 199 D HN 0.052 nan 8.370 nan 0.000 0.490 200 Q N 0.397 120.299 119.800 0.170 0.000 2.395 200 Q HA 0.092 4.438 4.340 0.010 0.000 0.271 200 Q C -0.050 176.087 176.000 0.229 0.000 1.026 200 Q CA 0.129 56.097 55.803 0.275 0.000 0.900 200 Q CB 0.580 29.624 28.738 0.510 0.000 1.266 200 Q HN 0.041 nan 8.270 nan 0.000 0.430 201 D N 2.863 123.431 120.400 0.280 0.000 2.541 201 D HA 0.128 4.774 4.640 0.010 0.000 0.231 201 D C -0.734 175.759 176.300 0.321 0.000 1.163 201 D CA 0.211 54.372 54.000 0.269 0.000 1.077 201 D CB -0.526 40.438 40.800 0.274 0.000 1.110 201 D HN 0.487 nan 8.370 nan 0.000 0.499 202 M N -0.253 119.496 119.600 0.248 0.000 3.084 202 M HA 0.388 4.875 4.480 0.010 0.000 0.273 202 M C -1.339 175.076 176.300 0.191 0.000 1.242 202 M CA -1.137 54.237 55.300 0.124 0.000 0.819 202 M CB 1.102 33.686 32.600 -0.028 0.000 1.625 202 M HN -0.110 nan 8.290 nan 0.000 0.493 203 W N 2.073 123.466 121.300 0.156 0.000 2.223 203 W HA 0.311 4.977 4.660 0.010 0.000 0.334 203 W C 0.202 176.754 176.519 0.054 0.000 1.334 203 W CA -0.091 57.335 57.345 0.136 0.000 1.246 203 W CB 0.438 29.907 29.460 0.015 0.000 1.184 203 W HN 0.296 nan 8.180 nan 0.000 0.563 204 R N 4.916 125.623 120.500 0.345 0.000 2.198 204 R HA 0.411 4.757 4.340 0.010 0.000 0.339 204 R C -0.154 176.184 176.300 0.065 0.000 1.020 204 R CA -0.242 55.980 56.100 0.205 0.000 0.864 204 R CB 0.258 30.747 30.300 0.316 0.000 1.105 204 R HN 0.560 nan 8.270 nan 0.000 0.463 205 M N 0.232 119.754 119.600 -0.131 0.000 2.792 205 M HA 0.521 5.007 4.480 0.010 0.000 0.290 205 M C -0.075 175.895 176.300 -0.550 0.000 1.155 205 M CA -0.737 54.358 55.300 -0.341 0.000 0.781 205 M CB 2.301 34.693 32.600 -0.347 0.000 1.741 205 M HN 0.664 nan 8.290 nan 0.000 0.473 206 S N -1.183 114.068 115.700 -0.748 0.000 2.611 206 S HA 0.949 5.425 4.470 0.010 0.000 0.268 206 S C -0.596 173.562 174.600 -0.736 0.000 1.156 206 S CA -0.203 57.465 58.200 -0.886 0.000 0.817 206 S CB 1.706 64.180 63.200 -1.209 0.000 1.122 206 S HN 1.442 nan 8.310 nan 0.000 0.466 207 G N -0.011 108.570 108.800 -0.365 0.000 2.331 207 G HA2 0.161 4.127 3.960 0.010 0.000 0.479 207 G HA3 0.161 4.127 3.960 0.010 0.000 0.479 207 G C -1.411 173.501 174.900 0.019 0.000 1.262 207 G CA -0.573 44.578 45.100 0.085 0.000 1.029 207 G HN 1.174 nan 8.290 nan 0.000 0.487 208 I N 2.070 122.503 120.570 -0.228 0.000 2.268 208 I HA 0.298 4.474 4.170 0.010 0.000 0.290 208 I C 1.138 177.112 176.117 -0.237 0.000 1.125 208 I CA -0.280 60.774 61.300 -0.409 0.000 1.236 208 I CB -0.118 37.409 38.000 -0.788 0.000 1.469 208 I HN 0.504 nan 8.210 nan 0.000 0.512 209 F N 3.469 123.265 119.950 -0.257 0.000 2.727 209 F HA 0.471 5.004 4.527 0.010 0.000 0.302 209 F C 0.768 176.476 175.800 -0.154 0.000 1.097 209 F CA -0.508 57.374 58.000 -0.197 0.000 1.330 209 F CB 0.067 38.958 39.000 -0.182 0.000 1.084 209 F HN 0.109 nan 8.300 nan 0.000 0.578 210 R N 0.491 120.575 120.500 -0.693 0.000 2.930 210 R HA 0.222 4.568 4.340 0.010 0.000 0.257 210 R C -0.687 175.380 176.300 -0.387 0.000 1.107 210 R CA -1.154 54.640 56.100 -0.511 0.000 0.999 210 R CB 0.840 30.741 30.300 -0.665 0.000 1.209 210 R HN -0.036 nan 8.270 nan 0.000 0.486 211 D N 0.874 121.088 120.400 -0.309 0.000 2.515 211 D HA 0.034 4.681 4.640 0.010 0.000 0.232 211 D C -0.442 175.671 176.300 -0.312 0.000 1.157 211 D CA 0.647 54.494 54.000 -0.255 0.000 0.871 211 D CB 0.578 41.260 40.800 -0.197 0.000 1.200 211 D HN 0.002 nan 8.370 nan 0.000 0.466 212 V N 0.955 120.691 119.914 -0.297 0.000 2.555 212 V HA 0.627 4.754 4.120 0.010 0.000 0.302 212 V C 0.235 176.171 176.094 -0.262 0.000 1.038 212 V CA -0.561 61.494 62.300 -0.408 0.000 0.887 212 V CB 1.650 33.209 31.823 -0.441 0.000 0.991 212 V HN 0.794 nan 8.190 nan 0.000 0.434 213 S N 4.079 119.606 115.700 -0.290 0.000 2.643 213 S HA 0.853 5.329 4.470 0.010 0.000 0.270 213 S C -1.673 172.869 174.600 -0.098 0.000 1.166 213 S CA -0.813 57.298 58.200 -0.148 0.000 0.815 213 S CB 1.963 65.119 63.200 -0.075 0.000 1.139 213 S HN 0.492 nan 8.310 nan 0.000 0.472 214 L N 1.071 122.303 121.223 0.014 0.000 2.385 214 L HA 0.839 5.185 4.340 0.010 0.000 0.273 214 L C -1.504 175.540 176.870 0.289 0.000 0.990 214 L CA -0.633 54.298 54.840 0.152 0.000 0.821 214 L CB 1.657 43.816 42.059 0.166 0.000 1.279 214 L HN 0.874 nan 8.230 nan 0.000 0.412 215 L N 3.939 125.322 121.223 0.267 0.000 2.408 215 L HA 0.526 4.872 4.340 0.010 0.000 0.268 215 L C -1.339 175.557 176.870 0.043 0.000 0.986 215 L CA -0.222 54.719 54.840 0.169 0.000 0.820 215 L CB 1.550 43.665 42.059 0.094 0.000 1.303 215 L HN 0.632 nan 8.230 nan 0.000 0.411 216 H N 5.171 124.044 119.070 -0.329 0.000 2.504 216 H HA 0.497 5.059 4.556 0.010 0.000 0.322 216 H C -1.321 173.794 175.328 -0.354 0.000 1.055 216 H CA -0.572 55.133 56.048 -0.571 0.000 1.231 216 H CB 1.120 30.032 29.762 -1.417 0.000 1.417 216 H HN 0.537 nan 8.280 nan 0.000 0.472 217 K N 5.832 125.833 120.400 -0.665 0.000 2.318 217 K HA 0.376 4.702 4.320 0.010 0.000 0.249 217 K C -2.760 173.557 176.600 -0.472 0.000 0.942 217 K CA -2.048 54.000 56.287 -0.398 0.000 0.808 217 K CB 2.274 34.612 32.500 -0.270 0.000 1.189 217 K HN 0.460 nan 8.250 nan 0.000 0.428 218 P HA 0.161 nan 4.420 nan 0.000 0.274 218 P C 0.580 177.802 177.300 -0.130 0.000 1.246 218 P CA -0.238 62.792 63.100 -0.117 0.000 0.795 218 P CB 0.501 32.174 31.700 -0.045 0.000 1.006 219 T N -0.991 113.515 114.554 -0.081 0.000 2.720 219 T HA -0.056 4.300 4.350 0.010 0.000 0.268 219 T C 0.597 175.255 174.700 -0.071 0.000 1.037 219 T CA 1.642 63.702 62.100 -0.068 0.000 1.144 219 T CB -0.614 68.233 68.868 -0.036 0.000 0.864 219 T HN 0.429 nan 8.240 nan 0.000 0.444 220 T N 3.642 118.159 114.554 -0.062 0.000 2.738 220 T HA 0.464 4.820 4.350 0.010 0.000 0.298 220 T C -0.280 174.366 174.700 -0.090 0.000 0.962 220 T CA -0.605 61.448 62.100 -0.079 0.000 0.972 220 T CB 0.679 69.518 68.868 -0.049 0.000 0.928 220 T HN 0.473 nan 8.240 nan 0.000 0.474 221 Q N 2.309 122.038 119.800 -0.118 0.000 2.565 221 Q HA 0.605 4.951 4.340 0.010 0.000 0.294 221 Q C -1.221 174.701 176.000 -0.129 0.000 1.005 221 Q CA -1.188 54.538 55.803 -0.129 0.000 0.771 221 Q CB 1.335 29.980 28.738 -0.155 0.000 1.486 221 Q HN 0.460 nan 8.270 nan 0.000 0.422 222 I N 2.697 123.169 120.570 -0.164 0.000 2.347 222 I HA 0.024 4.200 4.170 0.010 0.000 0.294 222 I C 0.814 176.817 176.117 -0.190 0.000 1.090 222 I CA 0.004 61.216 61.300 -0.146 0.000 1.314 222 I CB 0.841 38.707 38.000 -0.224 0.000 1.423 222 I HN 0.855 nan 8.210 nan 0.000 0.503 223 S N 2.666 118.360 115.700 -0.011 0.000 2.486 223 S HA 0.147 4.623 4.470 0.010 0.000 0.220 223 S C 0.320 175.112 174.600 0.320 0.000 1.011 223 S CA -0.115 58.145 58.200 0.100 0.000 0.921 223 S CB 0.233 63.462 63.200 0.048 0.000 0.785 223 S HN 0.680 nan 8.310 nan 0.000 0.517 224 D N -0.384 120.204 120.400 0.313 0.000 2.648 224 D HA 0.566 5.212 4.640 0.010 0.000 0.244 224 D C -1.823 174.700 176.300 0.371 0.000 1.244 224 D CA -0.772 53.453 54.000 0.376 0.000 0.772 224 D CB 1.805 42.717 40.800 0.186 0.000 1.379 224 D HN 0.223 nan 8.370 nan 0.000 0.428 225 F N -0.655 119.379 119.950 0.140 0.000 2.650 225 F HA 0.598 5.132 4.527 0.010 0.000 0.310 225 F C -1.677 174.218 175.800 0.158 0.000 1.112 225 F CA -0.759 57.258 58.000 0.029 0.000 0.986 225 F CB 1.211 40.260 39.000 0.082 0.000 1.285 225 F HN 0.266 nan 8.300 nan 0.000 0.440 226 H N 2.176 121.320 119.070 0.122 0.000 2.589 226 H HA 0.728 5.291 4.556 0.010 0.000 0.351 226 H C -1.315 174.045 175.328 0.052 0.000 1.074 226 H CA -1.523 54.520 56.048 -0.008 0.000 1.203 226 H CB 2.578 32.320 29.762 -0.033 0.000 1.558 226 H HN 0.606 nan 8.280 nan 0.000 0.522 227 V N 2.408 122.402 119.914 0.134 0.000 2.417 227 V HA 0.657 4.783 4.120 0.010 0.000 0.291 227 V C -0.188 175.895 176.094 -0.018 0.000 1.024 227 V CA -0.539 61.802 62.300 0.069 0.000 0.861 227 V CB 1.160 33.024 31.823 0.067 0.000 0.985 227 V HN 0.933 nan 8.190 nan 0.000 0.436 228 A N 3.394 126.186 122.820 -0.047 0.000 2.435 228 A HA 0.942 5.268 4.320 0.010 0.000 0.304 228 A C -0.149 177.343 177.584 -0.154 0.000 1.064 228 A CA -0.529 51.461 52.037 -0.078 0.000 0.727 228 A CB 2.028 21.005 19.000 -0.038 0.000 1.284 228 A HN 0.902 nan 8.150 nan 0.000 0.415 229 T N -0.077 114.373 114.554 -0.174 0.000 2.840 229 T HA 0.748 5.104 4.350 0.010 0.000 0.287 229 T C -0.498 174.029 174.700 -0.288 0.000 0.991 229 T CA -0.651 61.271 62.100 -0.296 0.000 0.964 229 T CB 1.004 69.611 68.868 -0.435 0.000 0.954 229 T HN 0.689 nan 8.240 nan 0.000 0.438 230 R N 1.881 122.132 120.500 -0.415 0.000 2.711 230 R HA 0.785 5.131 4.340 0.010 0.000 0.284 230 R C -1.157 174.801 176.300 -0.570 0.000 0.968 230 R CA -0.751 55.184 56.100 -0.276 0.000 0.924 230 R CB 1.571 31.811 30.300 -0.101 0.000 1.162 230 R HN 0.555 nan 8.270 nan 0.000 0.465 231 F N 0.262 120.193 119.950 -0.032 0.000 2.631 231 F HA 0.390 4.922 4.527 0.009 0.000 0.328 231 F C 0.462 176.101 175.800 -0.269 0.000 1.067 231 F CA -1.202 56.705 58.000 -0.154 0.000 0.969 231 F CB 0.886 39.689 39.000 -0.330 0.000 1.332 231 F HN 0.506 nan 8.300 nan 0.000 0.490 232 N N -0.209 118.451 118.700 -0.068 0.000 2.413 232 N HA 0.097 4.843 4.740 0.010 0.000 0.266 232 N C 0.496 175.828 175.510 -0.297 0.000 1.238 232 N CA -0.283 52.688 53.050 -0.132 0.000 0.972 232 N CB 0.144 38.591 38.487 -0.066 0.000 1.210 232 N HN 0.667 nan 8.380 nan 0.000 0.547 233 D N -0.929 119.366 120.400 -0.176 0.000 2.218 233 D HA -0.294 4.352 4.640 0.010 0.000 0.194 233 D C 0.209 176.420 176.300 -0.149 0.000 1.007 233 D CA 2.062 55.975 54.000 -0.146 0.000 0.879 233 D CB -0.511 40.264 40.800 -0.042 0.000 0.918 233 D HN 0.772 nan 8.370 nan 0.000 0.449 234 D N -2.371 117.976 120.400 -0.088 0.000 2.535 234 D HA 0.063 4.709 4.640 0.010 0.000 0.229 234 D C 0.191 176.694 176.300 0.338 0.000 1.238 234 D CA -0.935 53.162 54.000 0.161 0.000 0.824 234 D CB -0.986 39.906 40.800 0.153 0.000 1.045 234 D HN 0.227 nan 8.370 nan 0.000 0.500 235 F N 0.331 120.343 119.950 0.103 0.000 2.914 235 F HA -0.305 4.228 4.527 0.010 0.000 0.304 235 F C 1.749 177.636 175.800 0.144 0.000 0.712 235 F CA 0.840 58.928 58.000 0.146 0.000 1.211 235 F CB -2.366 36.627 39.000 -0.012 0.000 1.515 235 F HN 0.221 nan 8.300 nan 0.000 0.350 236 S N -0.751 115.059 115.700 0.183 0.000 2.562 236 S HA 0.195 4.671 4.470 0.010 0.000 0.221 236 S C 0.696 175.349 174.600 0.090 0.000 0.975 236 S CA 0.172 58.452 58.200 0.134 0.000 0.918 236 S CB 0.300 63.552 63.200 0.088 0.000 0.772 236 S HN 0.436 nan 8.310 nan 0.000 0.531 237 R N 0.092 120.643 120.500 0.085 0.000 2.651 237 R HA 0.772 5.118 4.340 0.010 0.000 0.278 237 R C -1.324 174.981 176.300 0.008 0.000 1.010 237 R CA -0.298 55.816 56.100 0.023 0.000 0.896 237 R CB 2.272 32.566 30.300 -0.010 0.000 1.211 237 R HN 0.257 nan 8.270 nan 0.000 0.456 238 A N 1.704 124.470 122.820 -0.090 0.000 2.479 238 A HA 0.771 5.097 4.320 0.010 0.000 0.296 238 A C -1.261 176.224 177.584 -0.166 0.000 1.121 238 A CA -0.649 51.248 52.037 -0.233 0.000 0.743 238 A CB 2.104 20.913 19.000 -0.319 0.000 1.323 238 A HN 0.343 nan 8.150 nan 0.000 0.415 239 V N 1.482 121.280 119.914 -0.193 0.000 2.483 239 V HA 0.414 4.540 4.120 0.010 0.000 0.297 239 V C -0.653 175.377 176.094 -0.106 0.000 1.027 239 V CA -0.308 61.923 62.300 -0.115 0.000 0.855 239 V CB 1.387 33.149 31.823 -0.102 0.000 0.995 239 V HN 0.798 nan 8.190 nan 0.000 0.424 240 L N 5.282 126.480 121.223 -0.043 0.000 2.264 240 L HA 0.587 4.934 4.340 0.010 0.000 0.289 240 L C -0.075 176.756 176.870 -0.064 0.000 1.044 240 L CA 0.034 54.834 54.840 -0.067 0.000 0.807 240 L CB 0.753 42.797 42.059 -0.025 0.000 1.192 240 L HN 0.629 nan 8.230 nan 0.000 0.425 241 E N 5.202 125.361 120.200 -0.069 0.000 2.145 241 E HA 0.559 4.915 4.350 0.010 0.000 0.270 241 E C -1.018 175.571 176.600 -0.020 0.000 0.906 241 E CA -0.731 55.643 56.400 -0.044 0.000 0.761 241 E CB 2.071 31.747 29.700 -0.039 0.000 1.116 241 E HN 0.668 nan 8.360 nan 0.000 0.408 242 A N 3.551 126.363 122.820 -0.013 0.000 2.311 242 A HA 0.286 4.613 4.320 0.010 0.000 0.306 242 A C -0.433 177.149 177.584 -0.003 0.000 1.189 242 A CA -0.667 51.384 52.037 0.024 0.000 0.791 242 A CB 0.881 19.896 19.000 0.025 0.000 1.172 242 A HN 0.658 nan 8.150 nan 0.000 0.481 243 E N 2.673 122.876 120.200 0.005 0.000 2.174 243 E HA 0.547 4.903 4.350 0.010 0.000 0.282 243 E C -1.418 175.145 176.600 -0.061 0.000 0.992 243 E CA -0.374 55.984 56.400 -0.071 0.000 0.803 243 E CB 1.195 30.813 29.700 -0.137 0.000 1.090 243 E HN 0.370 nan 8.360 nan 0.000 0.396 244 V N 5.258 125.142 119.914 -0.050 0.000 2.540 244 V HA 0.266 4.392 4.120 0.010 0.000 0.302 244 V C -0.431 175.724 176.094 0.102 0.000 1.035 244 V CA -0.820 61.495 62.300 0.025 0.000 0.873 244 V CB 1.591 33.401 31.823 -0.022 0.000 0.992 244 V HN 0.712 nan 8.190 nan 0.000 0.428 245 Q N 5.022 124.897 119.800 0.124 0.000 2.345 245 Q HA 0.842 5.189 4.340 0.010 0.000 0.268 245 Q C -0.688 175.392 176.000 0.132 0.000 1.054 245 Q CA -0.825 55.062 55.803 0.140 0.000 0.835 245 Q CB 2.941 31.693 28.738 0.022 0.000 1.339 245 Q HN 0.855 nan 8.270 nan 0.000 0.447 246 M N -0.559 119.043 119.600 0.004 0.000 2.716 246 M HA 0.779 5.265 4.480 0.010 0.000 0.307 246 M C -1.531 174.676 176.300 -0.156 0.000 1.223 246 M CA -0.469 54.733 55.300 -0.165 0.000 0.871 246 M CB 2.269 34.509 32.600 -0.600 0.000 1.739 246 M HN 0.629 nan 8.290 nan 0.000 0.475 247 C N 1.324 120.539 119.300 -0.142 0.000 2.561 247 C HA 1.033 5.499 4.460 0.010 0.000 0.319 247 C C 0.371 175.277 174.990 -0.140 0.000 1.198 247 C CA 0.347 59.298 59.018 -0.112 0.000 1.665 247 C CB 0.837 28.538 27.740 -0.066 0.000 2.258 247 C HN 1.265 nan 8.230 nan 0.000 0.493 248 G N 1.906 110.633 108.800 -0.122 0.000 2.347 248 G HA2 0.159 4.125 3.960 0.010 0.000 0.477 248 G HA3 0.159 4.125 3.960 0.010 0.000 0.477 248 G C -1.502 173.321 174.900 -0.127 0.000 1.349 248 G CA -0.785 44.244 45.100 -0.118 0.000 1.000 248 G HN 0.620 nan 8.290 nan 0.000 0.605 249 E N -0.073 120.067 120.200 -0.101 0.000 2.376 249 E HA 0.270 4.626 4.350 0.010 0.000 0.266 249 E C 0.547 177.055 176.600 -0.155 0.000 1.009 249 E CA -0.076 56.266 56.400 -0.097 0.000 0.902 249 E CB 0.981 30.648 29.700 -0.055 0.000 0.972 249 E HN 0.416 nan 8.360 nan 0.000 0.439 250 L N 5.012 126.140 121.223 -0.157 0.000 2.360 250 L HA 0.226 4.572 4.340 0.010 0.000 0.276 250 L C 0.672 177.412 176.870 -0.217 0.000 1.121 250 L CA 0.059 54.776 54.840 -0.206 0.000 0.845 250 L CB 0.339 42.302 42.059 -0.161 0.000 1.143 250 L HN 0.172 nan 8.230 nan 0.000 0.452 251 R N 2.477 122.775 120.500 -0.336 0.000 2.621 251 R HA 0.221 4.567 4.340 0.010 0.000 0.284 251 R C -0.241 175.740 176.300 -0.531 0.000 0.998 251 R CA -0.822 54.971 56.100 -0.512 0.000 0.895 251 R CB 1.829 31.591 30.300 -0.897 0.000 1.195 251 R HN 0.575 nan 8.270 nan 0.000 0.450 252 D N 1.547 121.733 120.400 -0.356 0.000 2.190 252 D HA -0.197 4.449 4.640 0.010 0.000 0.200 252 D C 1.369 177.597 176.300 -0.119 0.000 0.992 252 D CA 1.973 55.875 54.000 -0.163 0.000 0.854 252 D CB 0.097 40.868 40.800 -0.047 0.000 0.936 252 D HN 0.618 nan 8.370 nan 0.000 0.462 253 Y N 0.315 120.630 120.300 0.025 0.000 2.490 253 Y HA 0.310 4.867 4.550 0.011 0.000 0.281 253 Y C 0.904 176.822 175.900 0.029 0.000 1.174 253 Y CA -0.551 57.566 58.100 0.028 0.000 1.295 253 Y CB -0.789 37.686 38.460 0.026 0.000 1.062 253 Y HN -0.189 nan 8.280 nan 0.000 0.522 254 L N 2.877 124.011 121.223 -0.148 0.000 2.426 254 L HA 0.299 4.645 4.340 0.010 0.000 0.271 254 L C 0.236 177.136 176.870 0.050 0.000 1.169 254 L CA 0.006 54.862 54.840 0.026 0.000 0.836 254 L CB 0.473 42.523 42.059 -0.015 0.000 1.112 254 L HN 0.184 nan 8.230 nan 0.000 0.465 255 R N 2.125 122.560 120.500 -0.108 0.000 2.799 255 R HA 0.709 5.056 4.340 0.010 0.000 0.270 255 R C -1.465 174.545 176.300 -0.484 0.000 1.010 255 R CA -0.837 55.070 56.100 -0.321 0.000 0.916 255 R CB 2.256 32.291 30.300 -0.441 0.000 1.228 255 R HN 0.265 nan 8.270 nan 0.000 0.469 256 V N 0.827 120.483 119.914 -0.432 0.000 2.588 256 V HA 0.472 4.598 4.120 0.010 0.000 0.304 256 V C -0.515 175.514 176.094 -0.110 0.000 1.042 256 V CA -0.535 61.577 62.300 -0.312 0.000 0.877 256 V CB 2.360 33.944 31.823 -0.398 0.000 0.996 256 V HN 0.727 nan 8.190 nan 0.000 0.425 257 T N 4.116 118.702 114.554 0.053 0.000 2.809 257 T HA 0.573 4.929 4.350 0.010 0.000 0.284 257 T C -0.648 174.063 174.700 0.018 0.000 0.992 257 T CA -0.353 61.805 62.100 0.095 0.000 0.957 257 T CB 1.500 70.477 68.868 0.181 0.000 0.942 257 T HN 0.328 nan 8.240 nan 0.000 0.439 258 V N 3.980 123.883 119.914 -0.018 0.000 2.378 258 V HA 0.661 4.787 4.120 0.010 0.000 0.288 258 V C 0.077 176.164 176.094 -0.012 0.000 1.016 258 V CA -0.745 61.538 62.300 -0.028 0.000 0.840 258 V CB 1.525 33.318 31.823 -0.050 0.000 0.994 258 V HN 0.998 nan 8.190 nan 0.000 0.431 259 S N 5.736 121.452 115.700 0.026 0.000 2.503 259 S HA 0.820 5.296 4.470 0.010 0.000 0.301 259 S C -1.135 173.492 174.600 0.045 0.000 1.087 259 S CA -0.710 57.490 58.200 -0.000 0.000 1.042 259 S CB 1.946 65.161 63.200 0.024 0.000 1.043 259 S HN 0.519 nan 8.310 nan 0.000 0.489 260 L N 3.377 124.543 121.223 -0.094 0.000 2.305 260 L HA 0.754 5.101 4.340 0.010 0.000 0.284 260 L C -1.776 175.042 176.870 -0.085 0.000 1.013 260 L CA -0.305 54.555 54.840 0.035 0.000 0.819 260 L CB 0.648 42.740 42.059 0.055 0.000 1.227 260 L HN 0.878 nan 8.230 nan 0.000 0.417 261 W N 3.621 125.040 121.300 0.199 0.000 2.761 261 W HA 0.567 5.233 4.660 0.010 0.000 0.340 261 W C -0.577 176.032 176.519 0.151 0.000 1.072 261 W CA -0.539 56.893 57.345 0.146 0.000 1.215 261 W CB 1.388 30.881 29.460 0.055 0.000 1.420 261 W HN 0.474 nan 8.180 nan 0.000 0.519 262 Q N 2.797 122.753 119.800 0.259 0.000 2.413 262 Q HA 0.522 4.868 4.340 0.010 0.000 0.258 262 Q C 0.718 176.758 176.000 0.066 0.000 1.037 262 Q CA 0.332 56.120 55.803 -0.025 0.000 0.764 262 Q CB 0.895 29.463 28.738 -0.283 0.000 1.217 262 Q HN 0.798 nan 8.270 nan 0.000 0.490 263 G N 4.083 112.913 108.800 0.050 0.000 2.591 263 G HA2 -0.388 3.579 3.960 0.010 0.000 0.298 263 G HA3 -0.388 3.579 3.960 0.010 0.000 0.298 263 G C 0.244 175.216 174.900 0.119 0.000 1.195 263 G CA 0.565 45.692 45.100 0.046 0.000 0.989 263 G HN 0.654 nan 8.290 nan 0.000 0.551 264 E N 1.375 121.642 120.200 0.111 0.000 2.479 264 E HA 0.303 4.659 4.350 0.010 0.000 0.193 264 E C 0.847 177.679 176.600 0.387 0.000 1.049 264 E CA 0.732 57.224 56.400 0.153 0.000 0.870 264 E CB 0.317 30.040 29.700 0.038 0.000 0.944 264 E HN 0.456 nan 8.360 nan 0.000 0.492 265 T N 1.049 115.808 114.554 0.341 0.000 2.767 265 T HA 0.205 4.562 4.350 0.010 0.000 0.288 265 T C -0.168 174.604 174.700 0.120 0.000 0.963 265 T CA -0.562 61.671 62.100 0.222 0.000 1.019 265 T CB 1.237 70.158 68.868 0.088 0.000 0.923 265 T HN -0.009 nan 8.240 nan 0.000 0.468 266 Q N 2.838 122.420 119.800 -0.363 0.000 2.314 266 Q HA 0.332 4.678 4.340 0.010 0.000 0.257 266 Q C 0.984 176.709 176.000 -0.459 0.000 0.975 266 Q CA -0.477 54.696 55.803 -1.051 0.000 0.933 266 Q CB 0.894 28.662 28.738 -1.617 0.000 1.195 266 Q HN 0.693 nan 8.270 nan 0.000 0.426 267 V N 1.588 121.329 119.914 -0.288 0.000 2.992 267 V HA 0.530 4.656 4.120 0.010 0.000 0.250 267 V C 0.207 176.218 176.094 -0.139 0.000 1.090 267 V CA 1.105 63.334 62.300 -0.118 0.000 1.101 267 V CB 0.215 32.071 31.823 0.055 0.000 0.743 267 V HN 0.660 nan 8.190 nan 0.000 0.468 268 A N -0.995 121.712 122.820 -0.189 0.000 2.610 268 A HA 0.835 5.161 4.320 0.010 0.000 0.291 268 A C -0.587 176.897 177.584 -0.167 0.000 1.086 268 A CA 0.133 52.082 52.037 -0.146 0.000 0.677 268 A CB 1.573 20.519 19.000 -0.090 0.000 1.278 268 A HN 0.692 nan 8.150 nan 0.000 0.414 269 S N -1.605 114.024 115.700 -0.118 0.000 2.565 269 S HA 0.758 5.234 4.470 0.010 0.000 0.274 269 S C -0.711 173.850 174.600 -0.065 0.000 1.144 269 S CA 0.180 58.323 58.200 -0.096 0.000 0.849 269 S CB 1.669 64.802 63.200 -0.111 0.000 1.103 269 S HN 2.365 nan 8.310 nan 0.000 0.455 270 G N 1.310 110.081 108.800 -0.049 0.000 2.742 270 G HA2 0.629 4.596 3.960 0.010 0.000 0.296 270 G HA3 0.629 4.596 3.960 0.010 0.000 0.296 270 G C -1.448 173.434 174.900 -0.031 0.000 1.436 270 G CA -0.313 44.761 45.100 -0.043 0.000 0.928 270 G HN 0.680 nan 8.290 nan 0.000 0.520 271 T N -0.262 114.277 114.554 -0.025 0.000 2.900 271 T HA 0.897 5.254 4.350 0.010 0.000 0.295 271 T C -0.321 174.347 174.700 -0.053 0.000 1.044 271 T CA 0.193 62.288 62.100 -0.008 0.000 0.995 271 T CB 1.825 70.725 68.868 0.052 0.000 1.072 271 T HN 1.735 nan 8.240 nan 0.000 0.473 272 A N 3.039 125.794 122.820 -0.109 0.000 2.597 272 A HA 0.842 5.168 4.320 0.010 0.000 0.292 272 A C -3.201 174.254 177.584 -0.214 0.000 1.057 272 A CA -1.404 50.552 52.037 -0.136 0.000 0.674 272 A CB 1.108 20.021 19.000 -0.144 0.000 1.278 272 A HN 0.519 nan 8.150 nan 0.000 0.416 273 P HA 0.606 nan 4.420 nan 0.000 0.281 273 P C -0.616 176.576 177.300 -0.179 0.000 1.264 273 P CA -0.279 62.751 63.100 -0.116 0.000 0.824 273 P CB 0.358 32.042 31.700 -0.027 0.000 1.092 274 F N 0.101 120.005 119.950 -0.077 0.000 2.440 274 F HA 0.482 5.015 4.527 0.010 0.000 0.323 274 F C 1.517 177.293 175.800 -0.039 0.000 1.192 274 F CA 1.405 59.370 58.000 -0.059 0.000 1.252 274 F CB 0.106 39.065 39.000 -0.069 0.000 1.214 274 F HN 0.583 nan 8.300 nan 0.000 0.578 275 G N 1.237 110.149 108.800 0.186 0.000 2.673 275 G HA2 0.303 4.269 3.960 0.010 0.000 0.566 275 G HA3 0.303 4.269 3.960 0.010 0.000 0.566 275 G C -0.289 174.654 174.900 0.071 0.000 1.170 275 G CA -0.743 44.422 45.100 0.110 0.000 1.242 275 G HN 1.051 nan 8.290 nan 0.000 0.568 276 G N 0.907 109.772 108.800 0.107 0.000 2.651 276 G HA2 0.585 4.551 3.960 0.010 0.000 0.260 276 G HA3 0.585 4.551 3.960 0.010 0.000 0.260 276 G C 0.579 175.516 174.900 0.062 0.000 1.216 276 G CA 0.032 45.183 45.100 0.085 0.000 0.913 276 G HN 0.915 nan 8.290 nan 0.000 0.535 277 E N -0.459 119.770 120.200 0.049 0.000 2.410 277 E HA 0.063 4.420 4.350 0.010 0.000 0.255 277 E C 0.193 176.814 176.600 0.034 0.000 1.194 277 E CA -0.368 56.051 56.400 0.032 0.000 0.955 277 E CB 0.883 30.597 29.700 0.024 0.000 0.988 277 E HN 0.312 nan 8.360 nan 0.000 0.461 278 I N 1.352 121.931 120.570 0.015 0.000 2.710 278 I HA -0.096 4.080 4.170 0.010 0.000 0.286 278 I C 1.373 177.497 176.117 0.012 0.000 1.181 278 I CA 0.460 61.763 61.300 0.004 0.000 1.430 278 I CB 0.199 38.197 38.000 -0.004 0.000 1.367 278 I HN 0.574 nan 8.210 nan 0.000 0.577 279 I N 1.381 121.953 120.570 0.003 0.000 4.471 279 I HA 0.327 4.503 4.170 0.010 0.000 0.326 279 I C -0.260 175.859 176.117 0.004 0.000 1.300 279 I CA -0.059 61.253 61.300 0.020 0.000 1.237 279 I CB 0.643 38.681 38.000 0.063 0.000 1.195 279 I HN 0.587 nan 8.210 nan 0.000 0.427 280 D N -0.262 120.127 120.400 -0.019 0.000 2.825 280 D HA 0.200 4.846 4.640 0.010 0.000 0.327 280 D C 0.301 176.586 176.300 -0.026 0.000 1.277 280 D CA -0.467 53.522 54.000 -0.018 0.000 0.950 280 D CB 0.495 41.284 40.800 -0.018 0.000 1.438 280 D HN -0.110 nan 8.370 nan 0.000 0.526 281 E N -0.959 119.228 120.200 -0.022 0.000 2.267 281 E HA -0.069 4.287 4.350 0.010 0.000 0.197 281 E C 1.305 177.887 176.600 -0.031 0.000 0.998 281 E CA 1.066 57.453 56.400 -0.022 0.000 0.830 281 E CB -0.038 29.652 29.700 -0.016 0.000 0.751 281 E HN 0.219 nan 8.360 nan 0.000 0.491 282 R N -0.372 120.102 120.500 -0.043 0.000 2.334 282 R HA 0.305 4.651 4.340 0.010 0.000 0.216 282 R C 0.807 177.066 176.300 -0.069 0.000 0.905 282 R CA 0.695 56.762 56.100 -0.054 0.000 1.064 282 R CB 0.635 30.897 30.300 -0.064 0.000 1.046 282 R HN 0.214 nan 8.270 nan 0.000 0.508 283 G N -0.686 108.075 108.800 -0.065 0.000 2.358 283 G HA2 -0.052 3.914 3.960 0.010 0.000 0.198 283 G HA3 -0.052 3.914 3.960 0.010 0.000 0.198 283 G C -0.342 174.505 174.900 -0.089 0.000 1.220 283 G CA -0.614 44.445 45.100 -0.068 0.000 1.187 283 G HN 0.464 nan 8.290 nan 0.000 0.544 284 G N -2.014 106.722 108.800 -0.106 0.000 3.022 284 G HA2 0.641 4.608 3.960 0.010 0.000 0.284 284 G HA3 0.641 4.608 3.960 0.010 0.000 0.284 284 G C -1.678 173.105 174.900 -0.195 0.000 1.375 284 G CA -0.699 44.339 45.100 -0.103 0.000 0.902 284 G HN 0.786 nan 8.290 nan 0.000 0.538 285 Y N 1.129 121.438 120.300 0.016 0.000 2.504 285 Y HA 0.424 4.979 4.550 0.010 0.000 0.351 285 Y C 1.458 177.379 175.900 0.036 0.000 0.988 285 Y CA 0.233 58.347 58.100 0.023 0.000 1.239 285 Y CB 1.659 40.137 38.460 0.031 0.000 1.128 285 Y HN 0.560 nan 8.280 nan 0.000 0.525 286 A N 1.735 124.617 122.820 0.103 0.000 2.066 286 A HA -0.135 4.192 4.320 0.010 0.000 0.218 286 A C 1.380 179.036 177.584 0.120 0.000 1.157 286 A CA 1.270 53.359 52.037 0.087 0.000 0.670 286 A CB -0.287 18.724 19.000 0.018 0.000 0.804 286 A HN 0.790 nan 8.150 nan 0.000 0.453 287 D N -0.757 119.719 120.400 0.126 0.000 2.336 287 D HA 0.150 4.796 4.640 0.010 0.000 0.228 287 D C 0.548 176.988 176.300 0.233 0.000 1.120 287 D CA 0.069 54.087 54.000 0.031 0.000 0.839 287 D CB -0.057 40.738 40.800 -0.009 0.000 0.932 287 D HN 0.385 nan 8.370 nan 0.000 0.509 288 R N -0.916 119.810 120.500 0.376 0.000 2.836 288 R HA 0.757 5.103 4.340 0.010 0.000 0.269 288 R C -1.606 174.825 176.300 0.219 0.000 1.010 288 R CA -1.153 55.153 56.100 0.342 0.000 0.930 288 R CB 3.038 33.405 30.300 0.111 0.000 1.218 288 R HN -0.016 nan 8.270 nan 0.000 0.473 289 V N -0.017 119.894 119.914 -0.004 0.000 3.077 289 V HA 0.541 4.667 4.120 0.010 0.000 0.299 289 V C -1.680 174.330 176.094 -0.139 0.000 1.276 289 V CA -0.272 61.937 62.300 -0.151 0.000 0.993 289 V CB 2.758 34.330 31.823 -0.419 0.000 1.076 289 V HN 0.797 nan 8.190 nan 0.000 0.434 290 T N 7.194 121.685 114.554 -0.107 0.000 2.786 290 T HA 0.604 4.960 4.350 0.010 0.000 0.283 290 T C -0.956 173.692 174.700 -0.086 0.000 0.992 290 T CA -0.412 61.638 62.100 -0.083 0.000 0.954 290 T CB 1.084 69.921 68.868 -0.051 0.000 0.934 290 T HN 0.493 nan 8.240 nan 0.000 0.440 291 L N 3.638 124.811 121.223 -0.083 0.000 2.309 291 L HA 0.566 4.912 4.340 0.010 0.000 0.282 291 L C 0.457 177.293 176.870 -0.056 0.000 1.036 291 L CA -0.362 54.433 54.840 -0.075 0.000 0.806 291 L CB 1.302 43.314 42.059 -0.078 0.000 1.220 291 L HN 0.540 nan 8.230 nan 0.000 0.429 292 R N 3.410 123.878 120.500 -0.053 0.000 2.439 292 R HA 0.635 4.981 4.340 0.010 0.000 0.310 292 R C -1.360 174.911 176.300 -0.049 0.000 0.955 292 R CA -0.910 55.161 56.100 -0.049 0.000 0.853 292 R CB 2.014 32.286 30.300 -0.047 0.000 1.171 292 R HN 0.242 nan 8.270 nan 0.000 0.449 293 L N 2.885 124.080 121.223 -0.046 0.000 2.325 293 L HA 0.352 4.698 4.340 0.010 0.000 0.281 293 L C -0.342 176.500 176.870 -0.047 0.000 1.004 293 L CA -0.617 54.195 54.840 -0.045 0.000 0.823 293 L CB 1.555 43.592 42.059 -0.037 0.000 1.236 293 L HN 0.447 nan 8.230 nan 0.000 0.415 294 N N 2.291 120.958 118.700 -0.055 0.000 2.458 294 N HA 0.406 5.153 4.740 0.010 0.000 0.270 294 N C -0.972 174.491 175.510 -0.078 0.000 1.102 294 N CA -0.104 52.908 53.050 -0.064 0.000 0.967 294 N CB 1.934 40.387 38.487 -0.057 0.000 1.078 294 N HN 0.214 nan 8.380 nan 0.000 0.471 295 V N 2.977 122.826 119.914 -0.108 0.000 2.443 295 V HA 0.250 4.376 4.120 0.010 0.000 0.293 295 V C -0.055 175.950 176.094 -0.148 0.000 1.021 295 V CA -0.861 61.337 62.300 -0.169 0.000 0.848 295 V CB 1.795 33.414 31.823 -0.340 0.000 0.998 295 V HN 0.470 nan 8.190 nan 0.000 0.424 296 E N 2.989 123.131 120.200 -0.097 0.000 2.231 296 E HA 0.340 4.696 4.350 0.010 0.000 0.277 296 E C 0.037 176.609 176.600 -0.046 0.000 0.999 296 E CA -0.653 55.713 56.400 -0.057 0.000 0.827 296 E CB 0.844 30.525 29.700 -0.033 0.000 1.101 296 E HN 0.754 nan 8.360 nan 0.000 0.393 297 N N 0.730 119.424 118.700 -0.010 0.000 2.707 297 N HA -0.149 4.597 4.740 0.010 0.000 0.253 297 N C -2.440 173.070 175.510 0.001 0.000 0.998 297 N CA 0.173 53.234 53.050 0.019 0.000 0.751 297 N CB -1.259 37.240 38.487 0.021 0.000 0.920 297 N HN 0.370 nan 8.380 nan 0.000 0.539 298 P HA -0.030 nan 4.420 nan 0.000 0.267 298 P C -0.334 176.989 177.300 0.038 0.000 1.200 298 P CA 0.451 63.459 63.100 -0.152 0.000 0.772 298 P CB 0.728 32.166 31.700 -0.436 0.000 0.855 299 K N 2.561 123.058 120.400 0.162 0.000 2.316 299 K HA 0.294 4.620 4.320 0.010 0.000 0.289 299 K C 0.184 176.942 176.600 0.262 0.000 1.070 299 K CA -0.418 55.969 56.287 0.167 0.000 0.928 299 K CB 0.260 32.840 32.500 0.134 0.000 1.039 299 K HN 0.434 nan 8.250 nan 0.000 0.480 300 L N 2.699 124.007 121.223 0.141 0.000 2.395 300 L HA 0.287 4.633 4.340 0.010 0.000 0.269 300 L C 0.036 176.981 176.870 0.126 0.000 1.133 300 L CA -0.792 54.137 54.840 0.148 0.000 0.812 300 L CB 0.453 42.437 42.059 -0.124 0.000 1.125 300 L HN 0.596 nan 8.230 nan 0.000 0.452 301 W N 3.168 124.502 121.300 0.057 0.000 2.376 301 W HA 0.483 5.149 4.660 0.009 0.000 0.322 301 W C 0.023 176.493 176.519 -0.083 0.000 1.160 301 W CA 0.224 57.585 57.345 0.027 0.000 1.218 301 W CB 1.309 30.834 29.460 0.109 0.000 1.205 301 W HN 0.634 nan 8.180 nan 0.000 0.559 302 S N 2.654 117.777 115.700 -0.962 0.000 2.636 302 S HA 0.578 5.054 4.470 0.010 0.000 0.266 302 S C -0.155 173.640 174.600 -1.343 0.000 1.147 302 S CA -0.363 57.293 58.200 -0.906 0.000 0.815 302 S CB 0.906 63.865 63.200 -0.401 0.000 1.119 302 S HN 1.040 nan 8.310 nan 0.000 0.470 303 A N 0.359 122.601 122.820 -0.962 0.000 2.067 303 A HA 0.158 4.485 4.320 0.010 0.000 0.217 303 A C 1.686 178.949 177.584 -0.535 0.000 1.156 303 A CA 1.111 52.589 52.037 -0.932 0.000 0.683 303 A CB -0.826 17.499 19.000 -1.125 0.000 0.808 303 A HN 0.846 nan 8.150 nan 0.000 0.455 304 E N -0.565 119.449 120.200 -0.311 0.000 2.107 304 E HA 0.038 4.395 4.350 0.010 0.000 0.191 304 E C -0.232 176.230 176.600 -0.231 0.000 0.982 304 E CA 0.702 56.984 56.400 -0.196 0.000 0.809 304 E CB 0.014 29.739 29.700 0.042 0.000 0.756 304 E HN 0.600 nan 8.360 nan 0.000 0.459 305 I N 1.735 122.133 120.570 -0.286 0.000 2.649 305 I HA 0.144 4.320 4.170 0.010 0.000 0.275 305 I C -2.480 173.408 176.117 -0.382 0.000 1.153 305 I CA -1.854 59.297 61.300 -0.249 0.000 1.069 305 I CB 1.992 39.898 38.000 -0.157 0.000 1.227 305 I HN -0.229 nan 8.210 nan 0.000 0.505 306 P HA 0.032 nan 4.420 nan 0.000 0.238 306 P C -0.411 176.876 177.300 -0.020 0.000 1.714 306 P CA -0.032 62.790 63.100 -0.464 0.000 0.908 306 P CB -0.443 31.150 31.700 -0.178 0.000 1.893 307 N N 1.195 119.906 118.700 0.018 0.000 2.458 307 N HA 0.112 4.859 4.740 0.010 0.000 0.258 307 N C 0.152 175.905 175.510 0.405 0.000 1.219 307 N CA 0.505 53.653 53.050 0.163 0.000 0.902 307 N CB 0.756 39.334 38.487 0.152 0.000 1.076 307 N HN 0.237 nan 8.380 nan 0.000 0.455 308 L N 1.827 123.218 121.223 0.280 0.000 2.393 308 L HA 0.487 4.834 4.340 0.010 0.000 0.260 308 L C -1.018 175.985 176.870 0.223 0.000 1.002 308 L CA -0.867 54.180 54.840 0.345 0.000 0.818 308 L CB 1.414 43.623 42.059 0.251 0.000 1.369 308 L HN 0.385 nan 8.230 nan 0.000 0.412 309 Y N -0.017 120.425 120.300 0.236 0.000 2.630 309 Y HA 0.657 5.213 4.550 0.011 0.000 0.337 309 Y C -0.280 175.733 175.900 0.188 0.000 1.051 309 Y CA -0.875 57.368 58.100 0.238 0.000 1.121 309 Y CB 1.827 40.484 38.460 0.328 0.000 1.299 309 Y HN 0.370 nan 8.280 nan 0.000 0.498 310 R N 1.137 121.874 120.500 0.396 0.000 2.437 310 R HA 0.816 5.163 4.340 0.010 0.000 0.310 310 R C -1.584 174.903 176.300 0.313 0.000 0.955 310 R CA -0.524 55.739 56.100 0.271 0.000 0.851 310 R CB 1.041 31.433 30.300 0.153 0.000 1.161 310 R HN 0.744 nan 8.270 nan 0.000 0.446 311 A N 3.806 126.753 122.820 0.211 0.000 2.288 311 A HA 0.627 4.953 4.320 0.010 0.000 0.320 311 A C -1.127 176.514 177.584 0.094 0.000 1.217 311 A CA -0.656 51.480 52.037 0.164 0.000 0.840 311 A CB 1.338 20.408 19.000 0.117 0.000 1.179 311 A HN 0.487 nan 8.150 nan 0.000 0.504 312 V N 3.625 123.594 119.914 0.091 0.000 2.407 312 V HA 0.361 4.487 4.120 0.010 0.000 0.291 312 V C -0.451 175.617 176.094 -0.043 0.000 1.018 312 V CA -0.482 61.824 62.300 0.010 0.000 0.842 312 V CB 1.577 33.422 31.823 0.038 0.000 0.996 312 V HN 0.630 nan 8.190 nan 0.000 0.426 313 V N 4.663 124.485 119.914 -0.154 0.000 2.311 313 V HA 0.430 4.556 4.120 0.010 0.000 0.275 313 V C 0.010 176.043 176.094 -0.102 0.000 1.022 313 V CA -0.592 61.592 62.300 -0.195 0.000 0.830 313 V CB 1.129 32.677 31.823 -0.458 0.000 1.012 313 V HN 0.895 nan 8.190 nan 0.000 0.452 314 E N 3.497 123.692 120.200 -0.009 0.000 2.175 314 E HA 0.531 4.888 4.350 0.010 0.000 0.278 314 E C -0.961 175.708 176.600 0.115 0.000 0.969 314 E CA -0.811 55.638 56.400 0.083 0.000 0.796 314 E CB 2.331 32.137 29.700 0.177 0.000 1.104 314 E HN 0.521 nan 8.360 nan 0.000 0.395 315 L N 4.873 126.151 121.223 0.091 0.000 2.265 315 L HA 0.420 4.766 4.340 0.010 0.000 0.289 315 L C -1.133 175.811 176.870 0.123 0.000 1.033 315 L CA 0.040 54.914 54.840 0.057 0.000 0.814 315 L CB 0.073 42.161 42.059 0.048 0.000 1.203 315 L HN 0.678 nan 8.230 nan 0.000 0.423 316 H N 0.188 119.312 119.070 0.089 0.000 2.948 316 H HA 0.698 5.260 4.556 0.010 0.000 0.315 316 H C -0.765 174.642 175.328 0.132 0.000 1.360 316 H CA -0.505 55.595 56.048 0.086 0.000 1.125 316 H CB 0.369 30.161 29.762 0.051 0.000 1.844 316 H HN 0.483 nan 8.280 nan 0.000 0.529 317 T N -1.629 113.122 114.554 0.328 0.000 2.899 317 T HA 0.452 4.808 4.350 0.010 0.000 0.295 317 T C 1.545 176.458 174.700 0.356 0.000 1.033 317 T CA -0.269 62.008 62.100 0.295 0.000 1.084 317 T CB 1.339 70.276 68.868 0.114 0.000 0.979 317 T HN 0.945 nan 8.240 nan 0.000 0.532 318 A N 1.557 124.540 122.820 0.273 0.000 1.917 318 A HA -0.131 4.195 4.320 0.010 0.000 0.219 318 A C 1.695 179.385 177.584 0.177 0.000 1.182 318 A CA 1.914 54.081 52.037 0.216 0.000 0.633 318 A CB -1.059 18.042 19.000 0.169 0.000 0.819 318 A HN 0.887 nan 8.150 nan 0.000 0.448 319 D N -1.815 118.664 120.400 0.130 0.000 2.352 319 D HA 0.354 5.000 4.640 0.010 0.000 0.232 319 D C 1.247 177.575 176.300 0.048 0.000 1.055 319 D CA 1.230 55.270 54.000 0.066 0.000 0.891 319 D CB 0.189 41.004 40.800 0.025 0.000 0.897 319 D HN 0.621 nan 8.370 nan 0.000 0.529 320 G N -0.663 108.183 108.800 0.077 0.000 2.316 320 G HA2 -0.219 3.748 3.960 0.010 0.000 0.203 320 G HA3 -0.219 3.748 3.960 0.010 0.000 0.203 320 G C 0.543 175.437 174.900 -0.011 0.000 0.999 320 G CA -0.187 44.904 45.100 -0.015 0.000 0.649 320 G HN 0.284 nan 8.290 nan 0.000 0.489 321 T N 2.499 117.080 114.554 0.046 0.000 2.752 321 T HA 0.497 4.853 4.350 0.010 0.000 0.295 321 T C 0.197 174.961 174.700 0.106 0.000 0.923 321 T CA -0.082 62.045 62.100 0.044 0.000 1.112 321 T CB 1.971 70.852 68.868 0.021 0.000 0.884 321 T HN 0.634 nan 8.240 nan 0.000 0.525 322 L N 5.253 126.519 121.223 0.071 0.000 2.433 322 L HA 0.303 4.649 4.340 0.010 0.000 0.275 322 L C 0.883 177.811 176.870 0.097 0.000 1.128 322 L CA 0.308 55.212 54.840 0.107 0.000 0.875 322 L CB -0.115 41.974 42.059 0.050 0.000 1.171 322 L HN 0.695 nan 8.230 nan 0.000 0.463 323 I N 3.365 124.006 120.570 0.118 0.000 2.339 323 I HA 0.053 4.229 4.170 0.010 0.000 0.245 323 I C 0.544 176.689 176.117 0.046 0.000 1.096 323 I CA 0.633 61.975 61.300 0.071 0.000 1.408 323 I CB 0.067 38.108 38.000 0.068 0.000 1.092 323 I HN 0.817 nan 8.210 nan 0.000 0.423 324 E N 0.210 120.440 120.200 0.049 0.000 2.409 324 E HA 0.681 5.037 4.350 0.010 0.000 0.280 324 E C -1.619 175.008 176.600 0.044 0.000 1.079 324 E CA -1.058 55.364 56.400 0.037 0.000 0.840 324 E CB 1.746 31.437 29.700 -0.015 0.000 1.309 324 E HN -0.045 nan 8.360 nan 0.000 0.447 325 A N 1.315 124.183 122.820 0.079 0.000 2.422 325 A HA 0.667 4.993 4.320 0.010 0.000 0.302 325 A C -1.020 176.661 177.584 0.162 0.000 1.041 325 A CA -0.740 51.342 52.037 0.075 0.000 0.708 325 A CB 1.756 20.790 19.000 0.057 0.000 1.257 325 A HN 0.507 nan 8.150 nan 0.000 0.414 326 E N -0.162 120.070 120.200 0.054 0.000 2.299 326 E HA 0.855 5.212 4.350 0.010 0.000 0.260 326 E C -0.396 176.274 176.600 0.118 0.000 0.944 326 E CA -0.480 56.018 56.400 0.162 0.000 0.815 326 E CB 2.383 32.052 29.700 -0.051 0.000 1.252 326 E HN 1.186 nan 8.360 nan 0.000 0.418 327 A N -0.145 122.873 122.820 0.330 0.000 2.586 327 A HA 0.711 5.037 4.320 0.010 0.000 0.290 327 A C -1.170 176.644 177.584 0.383 0.000 1.086 327 A CA -0.358 51.790 52.037 0.185 0.000 0.665 327 A CB 0.731 19.734 19.000 0.005 0.000 1.279 327 A HN 0.862 nan 8.150 nan 0.000 0.423 328 C N -0.646 118.820 119.300 0.278 0.000 3.312 328 C HA 0.811 5.277 4.460 0.010 0.000 0.332 328 C C -1.507 173.584 174.990 0.169 0.000 1.340 328 C CA -0.900 58.272 59.018 0.258 0.000 1.265 328 C CB 0.985 28.887 27.740 0.270 0.000 1.563 328 C HN 0.828 nan 8.230 nan 0.000 0.471 329 D N 0.817 121.294 120.400 0.128 0.000 2.264 329 D HA 0.621 5.268 4.640 0.010 0.000 0.249 329 D C -0.428 175.917 176.300 0.075 0.000 1.070 329 D CA 0.057 54.132 54.000 0.124 0.000 0.912 329 D CB 1.894 42.769 40.800 0.124 0.000 1.193 329 D HN 0.582 nan 8.370 nan 0.000 0.427 330 V N 0.739 120.718 119.914 0.108 0.000 2.588 330 V HA 0.660 4.786 4.120 0.010 0.000 0.304 330 V C 0.495 176.630 176.094 0.067 0.000 1.042 330 V CA -0.920 61.376 62.300 -0.006 0.000 0.877 330 V CB 2.076 33.855 31.823 -0.073 0.000 0.996 330 V HN 0.610 nan 8.190 nan 0.000 0.425 331 G N 3.015 111.762 108.800 -0.089 0.000 2.437 331 G HA2 0.608 4.575 3.960 0.010 0.000 0.315 331 G HA3 0.608 4.575 3.960 0.010 0.000 0.315 331 G C -1.003 173.962 174.900 0.109 0.000 1.210 331 G CA -0.335 44.801 45.100 0.060 0.000 0.943 331 G HN 0.423 nan 8.290 nan 0.000 0.471 332 F N 3.951 124.091 119.950 0.316 0.000 2.444 332 F HA 0.498 5.031 4.527 0.010 0.000 0.360 332 F C 1.081 177.145 175.800 0.441 0.000 1.106 332 F CA -0.107 58.142 58.000 0.416 0.000 1.170 332 F CB 0.881 40.147 39.000 0.443 0.000 1.113 332 F HN 0.465 nan 8.300 nan 0.000 0.521 333 R N 3.140 123.983 120.500 0.571 0.000 2.664 333 R HA 0.358 4.704 4.340 0.010 0.000 0.266 333 R C -1.942 174.520 176.300 0.270 0.000 1.046 333 R CA -0.804 55.435 56.100 0.233 0.000 0.885 333 R CB 1.578 32.038 30.300 0.267 0.000 1.254 333 R HN 0.622 nan 8.270 nan 0.000 0.465 334 E N 2.349 122.590 120.200 0.068 0.000 2.176 334 E HA 0.438 4.794 4.350 0.010 0.000 0.267 334 E C -1.183 175.484 176.600 0.113 0.000 0.893 334 E CA -0.864 55.652 56.400 0.193 0.000 0.761 334 E CB 2.061 31.936 29.700 0.293 0.000 1.133 334 E HN 0.407 nan 8.360 nan 0.000 0.409 335 V N 5.574 125.551 119.914 0.104 0.000 2.398 335 V HA 0.586 4.713 4.120 0.010 0.000 0.286 335 V C -0.085 176.047 176.094 0.063 0.000 1.026 335 V CA -0.585 61.748 62.300 0.056 0.000 0.868 335 V CB 1.092 32.928 31.823 0.022 0.000 0.982 335 V HN 0.733 nan 8.190 nan 0.000 0.443 336 R N 4.463 124.994 120.500 0.052 0.000 2.634 336 R HA 0.622 4.968 4.340 0.010 0.000 0.263 336 R C -2.260 174.065 176.300 0.040 0.000 1.060 336 R CA -0.819 55.315 56.100 0.057 0.000 0.898 336 R CB 1.599 31.949 30.300 0.084 0.000 1.253 336 R HN 0.569 nan 8.270 nan 0.000 0.461 337 I N 2.255 122.849 120.570 0.039 0.000 2.321 337 I HA 0.328 4.504 4.170 0.010 0.000 0.291 337 I C -0.505 175.633 176.117 0.034 0.000 0.998 337 I CA -0.386 60.932 61.300 0.030 0.000 1.227 337 I CB 1.766 39.784 38.000 0.031 0.000 1.368 337 I HN 0.674 nan 8.210 nan 0.000 0.466 338 E N 5.831 126.048 120.200 0.028 0.000 2.246 338 E HA 0.264 4.620 4.350 0.010 0.000 0.266 338 E C -0.145 176.467 176.600 0.020 0.000 0.880 338 E CA -0.510 55.908 56.400 0.030 0.000 0.762 338 E CB 0.914 30.637 29.700 0.038 0.000 1.180 338 E HN 0.510 nan 8.360 nan 0.000 0.416 339 N N 3.424 122.136 118.700 0.020 0.000 2.725 339 N HA -0.237 4.510 4.740 0.010 0.000 0.249 339 N C 0.453 175.968 175.510 0.008 0.000 1.103 339 N CA 2.023 55.082 53.050 0.014 0.000 0.707 339 N CB -1.175 37.319 38.487 0.012 0.000 1.043 339 N HN 0.967 nan 8.380 nan 0.000 0.553 340 G N -2.346 106.460 108.800 0.008 0.000 2.176 340 G HA2 -0.277 3.689 3.960 0.010 0.000 0.253 340 G HA3 -0.277 3.689 3.960 0.010 0.000 0.253 340 G C -0.096 174.798 174.900 -0.011 0.000 0.979 340 G CA 0.438 45.538 45.100 0.001 0.000 0.641 340 G HN 0.454 nan 8.290 nan 0.000 0.530 341 L N 0.254 121.471 121.223 -0.011 0.000 2.346 341 L HA 0.709 5.055 4.340 0.010 0.000 0.276 341 L C 0.170 177.026 176.870 -0.023 0.000 1.006 341 L CA -1.315 53.510 54.840 -0.025 0.000 0.817 341 L CB 1.851 43.896 42.059 -0.025 0.000 1.272 341 L HN 0.097 nan 8.230 nan 0.000 0.421 342 L N 4.576 125.774 121.223 -0.043 0.000 2.325 342 L HA 0.400 4.747 4.340 0.010 0.000 0.284 342 L C -0.726 176.116 176.870 -0.045 0.000 1.089 342 L CA 0.431 55.246 54.840 -0.041 0.000 0.836 342 L CB 0.138 42.157 42.059 -0.066 0.000 1.184 342 L HN 0.382 nan 8.230 nan 0.000 0.444 343 L N 5.679 126.893 121.223 -0.016 0.000 2.331 343 L HA 0.538 4.884 4.340 0.010 0.000 0.275 343 L C -0.706 176.167 176.870 0.005 0.000 1.022 343 L CA -0.839 53.999 54.840 -0.003 0.000 0.812 343 L CB 1.816 43.896 42.059 0.035 0.000 1.257 343 L HN 0.530 nan 8.230 nan 0.000 0.435 344 L N 3.463 124.701 121.223 0.025 0.000 2.343 344 L HA 0.465 4.812 4.340 0.010 0.000 0.278 344 L C -0.242 176.668 176.870 0.066 0.000 0.996 344 L CA -0.052 54.822 54.840 0.056 0.000 0.831 344 L CB 0.811 42.919 42.059 0.081 0.000 1.232 344 L HN 0.610 nan 8.230 nan 0.000 0.413 345 N N 3.979 122.601 118.700 -0.130 0.000 2.725 345 N HA -0.218 4.528 4.740 0.010 0.000 0.249 345 N C 0.902 176.123 175.510 -0.482 0.000 1.103 345 N CA 1.344 54.046 53.050 -0.581 0.000 0.707 345 N CB -1.346 36.688 38.487 -0.755 0.000 1.043 345 N HN 1.160 nan 8.380 nan 0.000 0.553 346 G N -1.990 106.778 108.800 -0.054 0.000 2.179 346 G HA2 -0.343 3.623 3.960 0.010 0.000 0.260 346 G HA3 -0.343 3.623 3.960 0.010 0.000 0.260 346 G C -0.062 174.864 174.900 0.044 0.000 0.977 346 G CA 0.866 46.020 45.100 0.091 0.000 0.641 346 G HN 0.442 nan 8.290 nan 0.000 0.533 347 K N 0.783 121.199 120.400 0.026 0.000 2.203 347 K HA 0.529 4.856 4.320 0.010 0.000 0.251 347 K C -2.896 173.669 176.600 -0.058 0.000 0.944 347 K CA -2.051 54.209 56.287 -0.044 0.000 0.829 347 K CB 2.644 35.038 32.500 -0.177 0.000 1.125 347 K HN 0.018 nan 8.250 nan 0.000 0.430 348 P HA 0.207 nan 4.420 nan 0.000 0.282 348 P C -0.170 177.060 177.300 -0.117 0.000 1.262 348 P CA -0.202 62.846 63.100 -0.087 0.000 0.773 348 P CB 0.499 32.153 31.700 -0.078 0.000 0.879 349 L N 3.445 124.594 121.223 -0.123 0.000 2.436 349 L HA 0.307 4.654 4.340 0.010 0.000 0.265 349 L C 0.602 177.384 176.870 -0.147 0.000 1.168 349 L CA -0.608 54.146 54.840 -0.143 0.000 0.815 349 L CB 0.427 42.357 42.059 -0.215 0.000 1.109 349 L HN 0.267 nan 8.230 nan 0.000 0.462 350 L N 4.071 125.223 121.223 -0.118 0.000 2.442 350 L HA 0.402 4.748 4.340 0.010 0.000 0.261 350 L C -0.480 176.330 176.870 -0.101 0.000 1.000 350 L CA -0.250 54.503 54.840 -0.146 0.000 0.882 350 L CB 0.801 42.804 42.059 -0.092 0.000 1.207 350 L HN 0.242 nan 8.230 nan 0.000 0.443 351 I N 4.455 124.892 120.570 -0.222 0.000 2.578 351 I HA 0.108 4.284 4.170 0.010 0.000 0.286 351 I C 0.624 176.687 176.117 -0.090 0.000 1.126 351 I CA 0.400 61.573 61.300 -0.211 0.000 1.380 351 I CB 0.049 37.803 38.000 -0.410 0.000 1.408 351 I HN 0.582 nan 8.210 nan 0.000 0.532 352 R N 4.704 125.243 120.500 0.064 0.000 3.070 352 R HA 0.433 4.779 4.340 0.010 0.000 0.252 352 R C 0.552 176.940 176.300 0.147 0.000 1.370 352 R CA -0.239 55.930 56.100 0.115 0.000 1.482 352 R CB 0.790 30.995 30.300 -0.159 0.000 1.220 352 R HN 0.789 nan 8.270 nan 0.000 0.622 353 G N -0.049 108.812 108.800 0.101 0.000 2.509 353 G HA2 0.598 4.564 3.960 0.010 0.000 0.328 353 G HA3 0.598 4.564 3.960 0.010 0.000 0.328 353 G C -1.325 173.918 174.900 0.571 0.000 1.194 353 G CA -0.455 44.731 45.100 0.144 0.000 0.967 353 G HN 0.221 nan 8.290 nan 0.000 0.488 354 V N 0.185 120.423 119.914 0.539 0.000 2.932 354 V HA 0.457 4.583 4.120 0.010 0.000 0.307 354 V C -1.085 175.169 176.094 0.267 0.000 1.147 354 V CA -1.198 61.302 62.300 0.332 0.000 0.951 354 V CB 2.224 33.971 31.823 -0.126 0.000 1.031 354 V HN 0.766 nan 8.190 nan 0.000 0.426 355 N N 4.282 123.054 118.700 0.121 0.000 2.518 355 N HA 0.475 5.221 4.740 0.010 0.000 0.283 355 N C -0.740 174.599 175.510 -0.286 0.000 1.119 355 N CA -0.321 52.667 53.050 -0.104 0.000 0.983 355 N CB 1.509 39.902 38.487 -0.157 0.000 1.139 355 N HN 0.644 nan 8.380 nan 0.000 0.465 356 R N 2.085 122.371 120.500 -0.357 0.000 2.510 356 R HA 0.215 4.561 4.340 0.010 0.000 0.294 356 R C -1.014 175.052 176.300 -0.390 0.000 1.056 356 R CA -0.534 55.374 56.100 -0.320 0.000 0.918 356 R CB 0.854 30.976 30.300 -0.297 0.000 1.187 356 R HN 0.608 nan 8.270 nan 0.000 0.437 357 H N 1.989 120.919 119.070 -0.233 0.000 2.509 357 H HA 0.147 4.709 4.556 0.011 0.000 0.359 357 H C -0.435 174.875 175.328 -0.031 0.000 1.253 357 H CA -0.011 55.983 56.048 -0.090 0.000 1.373 357 H CB 1.364 31.140 29.762 0.023 0.000 1.555 357 H HN 0.556 nan 8.280 nan 0.000 0.586 358 E N 1.529 121.903 120.200 0.291 0.000 1.924 358 E HA 0.081 4.437 4.350 0.010 0.000 0.261 358 E C -0.753 175.978 176.600 0.219 0.000 1.088 358 E CA -0.084 56.406 56.400 0.151 0.000 0.909 358 E CB 0.075 29.880 29.700 0.175 0.000 1.112 358 E HN 0.349 nan 8.360 nan 0.000 0.425 359 H N 1.415 120.535 119.070 0.084 0.000 2.600 359 H HA 0.286 4.848 4.556 0.010 0.000 0.357 359 H C -1.499 173.883 175.328 0.090 0.000 1.106 359 H CA -0.685 55.410 56.048 0.079 0.000 1.193 359 H CB 1.079 30.873 29.762 0.053 0.000 1.594 359 H HN 0.316 nan 8.280 nan 0.000 0.526 360 H N 6.437 125.008 119.070 -0.831 0.000 2.840 360 H HA 0.197 4.759 4.556 0.010 0.000 0.340 360 H C -2.299 172.574 175.328 -0.757 0.000 1.004 360 H CA -2.386 53.304 56.048 -0.596 0.000 1.288 360 H CB 2.580 32.216 29.762 -0.211 0.000 1.607 360 H HN 0.568 nan 8.280 nan 0.000 0.522 361 P HA -0.112 nan 4.420 nan 0.000 0.219 361 P C 1.164 178.361 177.300 -0.172 0.000 1.146 361 P CA 0.899 63.823 63.100 -0.294 0.000 0.808 361 P CB 0.797 32.359 31.700 -0.231 0.000 0.779 362 L N -1.896 119.345 121.223 0.031 0.000 2.362 362 L HA 0.099 4.445 4.340 0.010 0.000 0.204 362 L C 2.488 179.155 176.870 -0.339 0.000 1.060 362 L CA 0.631 55.339 54.840 -0.220 0.000 0.827 362 L CB -0.658 41.120 42.059 -0.467 0.000 1.027 362 L HN -0.003 nan 8.230 nan 0.000 0.474 363 H N -0.269 118.773 119.070 -0.047 0.000 2.575 363 H HA 0.266 4.828 4.556 0.010 0.000 0.267 363 H C 1.456 176.671 175.328 -0.188 0.000 0.966 363 H CA 0.657 56.569 56.048 -0.226 0.000 1.165 363 H CB 0.456 29.940 29.762 -0.462 0.000 1.433 363 H HN 0.378 nan 8.280 nan 0.000 0.544 364 G N 1.523 110.253 108.800 -0.117 0.000 2.609 364 G HA2 -0.357 3.609 3.960 0.010 0.000 0.288 364 G HA3 -0.357 3.609 3.960 0.010 0.000 0.288 364 G C 0.724 175.560 174.900 -0.107 0.000 1.211 364 G CA 0.375 45.365 45.100 -0.183 0.000 0.963 364 G HN 0.446 nan 8.290 nan 0.000 0.541 365 Q N 0.104 119.854 119.800 -0.084 0.000 2.220 365 Q HA 0.492 4.839 4.340 0.010 0.000 0.205 365 Q C 0.187 176.252 176.000 0.108 0.000 0.865 365 Q CA -0.095 55.690 55.803 -0.030 0.000 0.960 365 Q CB 1.464 30.077 28.738 -0.208 0.000 1.097 365 Q HN 0.366 nan 8.270 nan 0.000 0.493 366 V N 1.932 121.892 119.914 0.077 0.000 2.461 366 V HA 0.222 4.348 4.120 0.010 0.000 0.275 366 V C 0.032 176.152 176.094 0.044 0.000 1.047 366 V CA -0.035 62.315 62.300 0.082 0.000 0.955 366 V CB 1.163 32.971 31.823 -0.024 0.000 0.988 366 V HN 0.335 nan 8.190 nan 0.000 0.471 367 M N 4.915 124.558 119.600 0.072 0.000 2.227 367 M HA 0.412 4.898 4.480 0.010 0.000 0.335 367 M C -0.496 175.729 176.300 -0.125 0.000 1.053 367 M CA -0.838 54.448 55.300 -0.023 0.000 0.973 367 M CB 1.371 33.928 32.600 -0.071 0.000 1.623 367 M HN 0.931 nan 8.290 nan 0.000 0.434 368 D N -0.062 120.285 120.400 -0.088 0.000 2.299 368 D HA 0.263 4.909 4.640 0.010 0.000 0.243 368 D C 0.605 176.876 176.300 -0.049 0.000 0.982 368 D CA -0.650 53.306 54.000 -0.074 0.000 0.924 368 D CB 1.521 42.300 40.800 -0.035 0.000 1.238 368 D HN 0.667 nan 8.370 nan 0.000 0.484 369 E N 0.019 120.205 120.200 -0.023 0.000 2.110 369 E HA -0.321 4.035 4.350 0.010 0.000 0.193 369 E C 1.719 178.357 176.600 0.064 0.000 0.988 369 E CA 1.122 57.538 56.400 0.028 0.000 0.804 369 E CB 0.094 29.826 29.700 0.053 0.000 0.745 369 E HN 0.648 nan 8.360 nan 0.000 0.458 370 Q N -0.104 119.733 119.800 0.062 0.000 2.030 370 Q HA -0.177 4.169 4.340 0.010 0.000 0.204 370 Q C 2.031 178.085 176.000 0.090 0.000 0.986 370 Q CA 2.353 58.203 55.803 0.078 0.000 0.843 370 Q CB -0.185 28.601 28.738 0.079 0.000 0.904 370 Q HN 0.291 nan 8.270 nan 0.000 0.420 371 T N 1.312 115.927 114.554 0.103 0.000 2.720 371 T HA -0.171 4.185 4.350 0.010 0.000 0.268 371 T C 1.909 176.679 174.700 0.116 0.000 1.037 371 T CA 1.742 63.914 62.100 0.121 0.000 1.144 371 T CB -0.193 68.772 68.868 0.161 0.000 0.864 371 T HN 0.311 nan 8.240 nan 0.000 0.444 372 M N 0.471 120.143 119.600 0.120 0.000 2.086 372 M HA -0.104 4.382 4.480 0.010 0.000 0.261 372 M C 2.495 178.908 176.300 0.189 0.000 1.067 372 M CA 1.375 56.822 55.300 0.244 0.000 1.116 372 M CB -0.640 32.143 32.600 0.305 0.000 1.348 372 M HN 0.093 nan 8.290 nan 0.000 0.407 373 V N 0.319 120.285 119.914 0.088 0.000 2.332 373 V HA -0.315 3.812 4.120 0.010 0.000 0.248 373 V C 2.355 178.420 176.094 -0.049 0.000 1.055 373 V CA 2.144 64.426 62.300 -0.029 0.000 1.038 373 V CB -0.936 30.905 31.823 0.030 0.000 0.651 373 V HN 0.580 nan 8.190 nan 0.000 0.450 374 Q N -0.372 119.452 119.800 0.041 0.000 2.084 374 Q HA -0.272 4.075 4.340 0.010 0.000 0.202 374 Q C 1.991 178.045 176.000 0.090 0.000 0.978 374 Q CA 2.109 57.951 55.803 0.065 0.000 0.844 374 Q CB -0.150 28.645 28.738 0.095 0.000 0.898 374 Q HN 0.611 nan 8.270 nan 0.000 0.426 375 D N 0.444 120.913 120.400 0.115 0.000 2.097 375 D HA -0.138 4.508 4.640 0.010 0.000 0.195 375 D C 1.971 178.208 176.300 -0.105 0.000 0.989 375 D CA 1.148 55.211 54.000 0.105 0.000 0.827 375 D CB -0.244 40.606 40.800 0.084 0.000 0.966 375 D HN 0.340 nan 8.370 nan 0.000 0.456 376 I N 0.762 121.274 120.570 -0.097 0.000 2.151 376 I HA -0.286 3.891 4.170 0.010 0.000 0.243 376 I C 2.358 178.333 176.117 -0.237 0.000 1.080 376 I CA 0.902 62.041 61.300 -0.268 0.000 1.339 376 I CB -0.277 37.442 38.000 -0.469 0.000 1.039 376 I HN 0.019 nan 8.210 nan 0.000 0.409 377 L N -0.131 120.994 121.223 -0.164 0.000 2.093 377 L HA -0.194 4.152 4.340 0.010 0.000 0.208 377 L C 2.515 179.449 176.870 0.107 0.000 1.085 377 L CA 1.155 55.988 54.840 -0.012 0.000 0.755 377 L CB -0.721 41.360 42.059 0.037 0.000 0.904 377 L HN 0.259 nan 8.230 nan 0.000 0.435 378 L N -0.640 120.661 121.223 0.130 0.000 2.083 378 L HA -0.199 4.147 4.340 0.010 0.000 0.209 378 L C 2.713 179.728 176.870 0.241 0.000 1.083 378 L CA 1.368 56.364 54.840 0.260 0.000 0.752 378 L CB -0.275 42.045 42.059 0.436 0.000 0.899 378 L HN 0.286 nan 8.230 nan 0.000 0.433 379 M N -0.683 118.888 119.600 -0.048 0.000 2.086 379 M HA -0.233 4.253 4.480 0.010 0.000 0.261 379 M C 2.247 178.600 176.300 0.088 0.000 1.067 379 M CA 1.842 57.025 55.300 -0.194 0.000 1.116 379 M CB -0.349 31.864 32.600 -0.644 0.000 1.348 379 M HN 0.047 nan 8.290 nan 0.000 0.407 380 K N 0.100 120.465 120.400 -0.057 0.000 2.097 380 K HA -0.175 4.151 4.320 0.010 0.000 0.206 380 K C 1.963 178.536 176.600 -0.045 0.000 1.049 380 K CA 1.302 57.455 56.287 -0.224 0.000 0.933 380 K CB -0.225 31.894 32.500 -0.636 0.000 0.717 380 K HN 0.450 nan 8.250 nan 0.000 0.442 381 Q N 0.345 120.315 119.800 0.283 0.000 2.364 381 Q HA -0.033 4.313 4.340 0.010 0.000 0.207 381 Q C 0.756 177.075 176.000 0.531 0.000 0.970 381 Q CA 0.684 56.812 55.803 0.541 0.000 0.888 381 Q CB 0.144 29.173 28.738 0.485 0.000 0.951 381 Q HN 0.274 nan 8.270 nan 0.000 0.469 382 N N 0.589 119.540 118.700 0.420 0.000 2.273 382 N HA 0.055 4.801 4.740 0.010 0.000 0.231 382 N C -0.604 175.069 175.510 0.271 0.000 1.134 382 N CA 0.041 53.343 53.050 0.421 0.000 0.856 382 N CB 0.720 39.527 38.487 0.532 0.000 1.068 382 N HN 0.172 nan 8.380 nan 0.000 0.510 383 N N -0.071 118.769 118.700 0.234 0.000 2.850 383 N HA -0.186 4.560 4.740 0.010 0.000 0.249 383 N C -0.713 174.743 175.510 -0.091 0.000 1.060 383 N CA 0.781 53.898 53.050 0.112 0.000 0.825 383 N CB -1.736 36.709 38.487 -0.069 0.000 1.132 383 N HN 0.239 nan 8.380 nan 0.000 0.564 384 F N 1.375 121.340 119.950 0.025 0.000 2.375 384 F HA 0.309 4.842 4.527 0.010 0.000 0.333 384 F C 1.779 177.571 175.800 -0.013 0.000 1.104 384 F CA -0.420 57.578 58.000 -0.003 0.000 1.149 384 F CB 0.807 39.776 39.000 -0.052 0.000 1.190 384 F HN 0.048 nan 8.300 nan 0.000 0.533 385 N N 0.574 119.386 118.700 0.187 0.000 2.143 385 N HA 0.437 5.183 4.740 0.010 0.000 0.222 385 N C -0.828 174.720 175.510 0.063 0.000 1.264 385 N CA 0.015 53.103 53.050 0.063 0.000 0.897 385 N CB 0.762 39.326 38.487 0.127 0.000 1.092 385 N HN 0.464 nan 8.380 nan 0.000 0.516 386 A N -0.530 122.404 122.820 0.188 0.000 2.606 386 A HA 0.762 5.088 4.320 0.010 0.000 0.293 386 A C -1.793 176.002 177.584 0.351 0.000 1.082 386 A CA -0.700 51.507 52.037 0.283 0.000 0.685 386 A CB 1.769 20.974 19.000 0.342 0.000 1.284 386 A HN 0.192 nan 8.150 nan 0.000 0.408 387 V N 1.064 121.235 119.914 0.428 0.000 2.971 387 V HA 0.797 4.923 4.120 0.010 0.000 0.309 387 V C -0.657 175.600 176.094 0.272 0.000 1.130 387 V CA -0.731 61.785 62.300 0.360 0.000 0.964 387 V CB 1.937 33.881 31.823 0.202 0.000 1.029 387 V HN 1.109 nan 8.190 nan 0.000 0.427 388 R N 4.644 125.160 120.500 0.028 0.000 2.445 388 R HA 0.454 4.800 4.340 0.010 0.000 0.308 388 R C -0.672 175.498 176.300 -0.216 0.000 0.961 388 R CA -0.508 55.429 56.100 -0.270 0.000 0.862 388 R CB 1.191 31.092 30.300 -0.664 0.000 1.144 388 R HN 0.807 nan 8.270 nan 0.000 0.447 389 C N 4.322 123.522 119.300 -0.168 0.000 3.329 389 C HA 0.076 4.543 4.460 0.010 0.000 0.537 389 C C 0.529 175.232 174.990 -0.478 0.000 1.034 389 C CA -0.299 58.573 59.018 -0.244 0.000 1.086 389 C CB -2.246 25.478 27.740 -0.027 0.000 1.392 389 C HN 0.680 nan 8.230 nan 0.000 0.612 390 S N 1.325 116.609 115.700 -0.694 0.000 2.465 390 S HA 0.172 4.649 4.470 0.010 0.000 0.280 390 S C -0.051 173.654 174.600 -1.492 0.000 1.232 390 S CA 0.094 57.591 58.200 -1.171 0.000 1.066 390 S CB 0.159 62.550 63.200 -1.348 0.000 0.929 390 S HN 0.725 nan 8.310 nan 0.000 0.494 391 H N 3.459 121.953 119.070 -0.959 0.000 2.616 391 H HA 0.296 4.858 4.556 0.010 0.000 0.229 391 H C -1.193 174.001 175.328 -0.223 0.000 1.418 391 H CA -0.358 55.491 56.048 -0.331 0.000 1.248 391 H CB -0.121 29.642 29.762 0.003 0.000 1.822 391 H HN 0.881 nan 8.280 nan 0.000 0.522 392 Y N -2.887 117.513 120.300 0.167 0.000 2.662 392 Y HA 0.424 4.980 4.550 0.011 0.000 0.334 392 Y C -3.339 172.673 175.900 0.185 0.000 1.185 392 Y CA -3.390 54.823 58.100 0.188 0.000 1.074 392 Y CB 0.053 38.633 38.460 0.200 0.000 1.330 392 Y HN -0.121 nan 8.280 nan 0.000 0.458 393 P HA 0.123 nan 4.420 nan 0.000 0.265 393 P C -0.604 177.000 177.300 0.505 0.000 1.193 393 P CA 0.333 63.693 63.100 0.433 0.000 0.765 393 P CB 0.553 32.433 31.700 0.301 0.000 0.823 394 N N 0.716 119.732 118.700 0.525 0.000 2.458 394 N HA 0.088 4.834 4.740 0.010 0.000 0.271 394 N C 0.171 175.943 175.510 0.438 0.000 1.210 394 N CA -0.634 52.634 53.050 0.363 0.000 0.978 394 N CB 0.358 38.849 38.487 0.007 0.000 1.206 394 N HN 0.594 nan 8.380 nan 0.000 0.536 395 H N 2.036 121.220 119.070 0.190 0.000 3.140 395 H HA -0.037 4.525 4.556 0.010 0.000 0.316 395 H C -1.586 173.917 175.328 0.291 0.000 0.986 395 H CA -0.602 55.546 56.048 0.167 0.000 1.397 395 H CB 0.890 30.709 29.762 0.096 0.000 1.377 395 H HN 0.446 nan 8.280 nan 0.000 0.585 396 P HA -0.234 nan 4.420 nan 0.000 0.216 396 P C 1.883 179.482 177.300 0.499 0.000 1.154 396 P CA 0.940 64.300 63.100 0.434 0.000 0.865 396 P CB 0.137 31.951 31.700 0.190 0.000 0.789 397 L N -1.186 120.372 121.223 0.558 0.000 2.191 397 L HA -0.082 4.264 4.340 0.010 0.000 0.212 397 L C 2.366 179.380 176.870 0.240 0.000 1.103 397 L CA 1.448 56.501 54.840 0.355 0.000 0.769 397 L CB -1.363 40.868 42.059 0.288 0.000 0.908 397 L HN 0.047 nan 8.230 nan 0.000 0.438 398 W N -0.318 120.984 121.300 0.004 0.000 2.317 398 W HA -0.363 4.303 4.660 0.010 0.000 0.318 398 W C 2.192 178.535 176.519 -0.294 0.000 1.227 398 W CA 2.226 59.440 57.345 -0.217 0.000 1.269 398 W CB -0.495 28.736 29.460 -0.382 0.000 1.155 398 W HN 0.282 nan 8.180 nan 0.000 0.484 399 Y N 0.659 120.829 120.300 -0.215 0.000 2.165 399 Y HA -0.257 4.299 4.550 0.010 0.000 0.286 399 Y C 2.877 178.465 175.900 -0.520 0.000 1.155 399 Y CA 2.245 59.992 58.100 -0.588 0.000 1.164 399 Y CB -1.397 36.436 38.460 -1.045 0.000 0.978 399 Y HN -0.202 nan 8.280 nan 0.000 0.513 400 T N 0.737 115.231 114.554 -0.101 0.000 2.708 400 T HA -0.162 4.194 4.350 0.010 0.000 0.266 400 T C 1.999 176.719 174.700 0.033 0.000 1.037 400 T CA 1.464 63.628 62.100 0.108 0.000 1.146 400 T CB -0.564 68.438 68.868 0.223 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.409 121.607 121.223 -0.041 0.000 2.083 401 L HA -0.119 4.227 4.340 0.010 0.000 0.209 401 L C 2.870 179.707 176.870 -0.056 0.000 1.083 401 L CA 0.977 55.817 54.840 -0.001 0.000 0.752 401 L CB -0.789 41.225 42.059 -0.073 0.000 0.899 401 L HN 0.397 nan 8.230 nan 0.000 0.433 402 C N -0.287 118.819 119.300 -0.323 0.000 2.440 402 C HA -0.124 4.342 4.460 0.010 0.000 0.278 402 C C 2.394 177.424 174.990 0.067 0.000 1.295 402 C CA 0.267 59.136 59.018 -0.248 0.000 1.738 402 C CB -0.798 26.691 27.740 -0.419 0.000 1.987 402 C HN 0.539 nan 8.230 nan 0.000 0.492 403 D N 0.717 121.152 120.400 0.058 0.000 2.097 403 D HA -0.097 4.549 4.640 0.010 0.000 0.195 403 D C 2.383 178.884 176.300 0.334 0.000 0.989 403 D CA 1.221 55.334 54.000 0.188 0.000 0.827 403 D CB -0.351 40.515 40.800 0.111 0.000 0.966 403 D HN 0.542 nan 8.370 nan 0.000 0.456 404 R N -0.829 119.764 120.500 0.155 0.000 2.075 404 R HA -0.009 4.337 4.340 0.010 0.000 0.226 404 R C 2.228 178.498 176.300 -0.050 0.000 1.114 404 R CA 0.663 56.791 56.100 0.046 0.000 0.972 404 R CB -0.312 29.937 30.300 -0.086 0.000 0.869 404 R HN 0.274 nan 8.270 nan 0.000 0.437 405 Y N 0.151 120.456 120.300 0.009 0.000 2.420 405 Y HA 0.142 4.698 4.550 0.010 0.000 0.292 405 Y C 0.968 176.796 175.900 -0.119 0.000 1.119 405 Y CA 0.868 58.948 58.100 -0.033 0.000 1.229 405 Y CB 0.587 38.997 38.460 -0.083 0.000 1.026 405 Y HN 0.277 nan 8.280 nan 0.000 0.554 406 G N 1.156 109.991 108.800 0.059 0.000 2.830 406 G HA2 -0.142 3.824 3.960 0.010 0.000 0.298 406 G HA3 -0.142 3.824 3.960 0.010 0.000 0.298 406 G C -1.184 173.556 174.900 -0.265 0.000 1.031 406 G CA -0.563 44.445 45.100 -0.152 0.000 1.179 406 G HN 0.161 nan 8.290 nan 0.000 0.527 407 L N 0.936 122.083 121.223 -0.127 0.000 2.445 407 L HA 0.527 4.874 4.340 0.010 0.000 0.262 407 L C -0.078 176.790 176.870 -0.003 0.000 0.974 407 L CA -1.350 53.365 54.840 -0.208 0.000 0.822 407 L CB 2.081 44.045 42.059 -0.159 0.000 1.339 407 L HN 0.478 nan 8.230 nan 0.000 0.409 408 Y N 1.641 122.067 120.300 0.211 0.000 2.335 408 Y HA 0.415 4.973 4.550 0.012 0.000 0.331 408 Y C 0.125 176.153 175.900 0.214 0.000 1.094 408 Y CA -0.737 57.519 58.100 0.259 0.000 1.253 408 Y CB 1.267 39.856 38.460 0.215 0.000 1.203 408 Y HN 0.128 nan 8.280 nan 0.000 0.508 409 V N 4.340 124.449 119.914 0.326 0.000 2.604 409 V HA 0.324 4.451 4.120 0.010 0.000 0.305 409 V C -0.586 175.597 176.094 0.149 0.000 1.043 409 V CA -1.032 61.400 62.300 0.219 0.000 0.888 409 V CB 2.006 33.917 31.823 0.147 0.000 0.995 409 V HN 0.464 nan 8.190 nan 0.000 0.429 410 V N 3.185 123.163 119.914 0.108 0.000 2.333 410 V HA 0.336 4.463 4.120 0.010 0.000 0.274 410 V C -0.337 175.802 176.094 0.076 0.000 1.028 410 V CA -0.339 61.972 62.300 0.017 0.000 0.851 410 V CB 1.405 33.135 31.823 -0.155 0.000 1.000 410 V HN 0.871 nan 8.190 nan 0.000 0.456 411 D N 4.209 124.685 120.400 0.126 0.000 2.274 411 D HA 0.347 4.994 4.640 0.010 0.000 0.239 411 D C -0.287 176.207 176.300 0.324 0.000 1.104 411 D CA -0.128 54.041 54.000 0.282 0.000 0.840 411 D CB 1.351 42.337 40.800 0.310 0.000 1.100 411 D HN 0.693 nan 8.370 nan 0.000 0.477 412 E N 1.908 122.264 120.200 0.259 0.000 2.222 412 E HA 0.640 4.997 4.350 0.010 0.000 0.267 412 E C -1.028 175.710 176.600 0.230 0.000 0.884 412 E CA -1.064 55.472 56.400 0.227 0.000 0.764 412 E CB 1.424 31.210 29.700 0.142 0.000 1.169 412 E HN 0.455 nan 8.360 nan 0.000 0.413 413 A N 3.679 126.629 122.820 0.216 0.000 2.445 413 A HA 0.085 4.412 4.320 0.010 0.000 0.242 413 A C 0.261 177.976 177.584 0.219 0.000 1.075 413 A CA -0.243 51.904 52.037 0.183 0.000 0.777 413 A CB 0.162 19.235 19.000 0.122 0.000 1.013 413 A HN 0.686 nan 8.150 nan 0.000 0.493 414 N N 1.218 120.056 118.700 0.230 0.000 3.050 414 N HA 0.287 5.034 4.740 0.010 0.000 0.289 414 N C -1.068 174.581 175.510 0.233 0.000 1.209 414 N CA 0.231 53.453 53.050 0.287 0.000 1.154 414 N CB -0.795 37.867 38.487 0.291 0.000 1.444 414 N HN 0.475 nan 8.380 nan 0.000 0.529 415 I N 1.084 121.789 120.570 0.225 0.000 2.529 415 I HA 0.235 4.411 4.170 0.010 0.000 0.284 415 I C -0.709 175.526 176.117 0.197 0.000 1.088 415 I CA -0.556 60.859 61.300 0.192 0.000 1.062 415 I CB 1.803 39.890 38.000 0.145 0.000 1.218 415 I HN 0.255 nan 8.210 nan 0.000 0.442 416 E N 4.339 124.650 120.200 0.184 0.000 2.317 416 E HA 0.306 4.662 4.350 0.010 0.000 0.270 416 E C -0.449 176.229 176.600 0.129 0.000 0.899 416 E CA -0.401 56.080 56.400 0.135 0.000 0.814 416 E CB 1.488 31.249 29.700 0.102 0.000 1.296 416 E HN 0.605 nan 8.360 nan 0.000 0.404 417 T N 0.663 115.282 114.554 0.108 0.000 3.293 417 T HA 0.146 4.502 4.350 0.010 0.000 0.276 417 T C 0.956 175.711 174.700 0.093 0.000 1.003 417 T CA -0.257 61.926 62.100 0.139 0.000 0.916 417 T CB -0.270 68.655 68.868 0.094 0.000 1.134 417 T HN 0.656 nan 8.240 nan 0.000 0.530 418 H N 1.040 120.036 119.070 -0.123 0.000 2.394 418 H HA -0.081 4.481 4.556 0.011 0.000 0.297 418 H C 2.315 177.520 175.328 -0.206 0.000 1.113 418 H CA 1.293 57.237 56.048 -0.173 0.000 1.277 418 H CB -0.220 29.403 29.762 -0.232 0.000 1.370 418 H HN 0.583 nan 8.280 nan 0.000 0.506 419 G N 0.259 108.901 108.800 -0.264 0.000 2.679 419 G HA2 -0.076 3.890 3.960 0.010 0.000 0.212 419 G HA3 -0.076 3.890 3.960 0.010 0.000 0.212 419 G C 0.592 175.579 174.900 0.144 0.000 1.137 419 G CA -0.059 44.906 45.100 -0.225 0.000 0.787 419 G HN 0.160 nan 8.290 nan 0.000 0.534 420 M N 0.176 119.902 119.600 0.209 0.000 2.167 420 M HA 0.306 4.792 4.480 0.010 0.000 0.300 420 M C -0.334 175.997 176.300 0.051 0.000 1.171 420 M CA -0.070 55.315 55.300 0.142 0.000 1.171 420 M CB 1.220 33.859 32.600 0.066 0.000 1.396 420 M HN -0.185 nan 8.290 nan 0.000 0.466 421 V N 2.718 122.642 119.914 0.017 0.000 2.488 421 V HA 0.330 4.456 4.120 0.010 0.000 0.293 421 V C -2.030 174.054 176.094 -0.016 0.000 1.027 421 V CA -1.292 61.006 62.300 -0.004 0.000 0.862 421 V CB 1.599 33.416 31.823 -0.011 0.000 1.008 421 V HN 0.720 nan 8.190 nan 0.000 0.428 422 P HA 0.260 nan 4.420 nan 0.000 0.277 422 P C 1.095 178.396 177.300 0.002 0.000 1.276 422 P CA -0.512 62.584 63.100 -0.007 0.000 0.788 422 P CB 1.043 32.741 31.700 -0.005 0.000 1.114 423 M N 0.456 120.064 119.600 0.013 0.000 2.202 423 M HA -0.179 4.307 4.480 0.010 0.000 0.262 423 M C 1.136 177.457 176.300 0.035 0.000 1.063 423 M CA 1.950 57.268 55.300 0.030 0.000 1.097 423 M CB -0.546 32.067 32.600 0.022 0.000 1.382 423 M HN 0.374 nan 8.290 nan 0.000 0.413 424 N N 0.015 118.735 118.700 0.034 0.000 2.362 424 N HA -0.069 4.677 4.740 0.010 0.000 0.211 424 N C 1.039 176.527 175.510 -0.036 0.000 1.170 424 N CA 0.152 53.221 53.050 0.032 0.000 0.828 424 N CB -0.747 37.776 38.487 0.060 0.000 1.034 424 N HN 0.372 nan 8.380 nan 0.000 0.475 425 R N 0.285 120.749 120.500 -0.060 0.000 2.091 425 R HA -0.004 4.342 4.340 0.010 0.000 0.238 425 R C 1.411 177.600 176.300 -0.185 0.000 1.136 425 R CA 1.376 57.414 56.100 -0.104 0.000 0.959 425 R CB -0.014 30.225 30.300 -0.102 0.000 0.856 425 R HN 0.305 nan 8.270 nan 0.000 0.437 426 L N -0.744 120.304 121.223 -0.291 0.000 2.168 426 L HA -0.002 4.344 4.340 0.010 0.000 0.203 426 L C 2.551 179.272 176.870 -0.249 0.000 1.078 426 L CA 1.257 55.797 54.840 -0.500 0.000 0.780 426 L CB -0.563 40.945 42.059 -0.919 0.000 0.939 426 L HN 0.347 nan 8.230 nan 0.000 0.451 427 T N -3.998 110.443 114.554 -0.189 0.000 3.007 427 T HA -0.190 4.166 4.350 0.010 0.000 0.270 427 T C 1.293 175.893 174.700 -0.167 0.000 1.107 427 T CA 1.387 63.358 62.100 -0.215 0.000 1.118 427 T CB -0.278 68.414 68.868 -0.293 0.000 0.889 427 T HN 0.126 nan 8.240 nan 0.000 0.506 428 D N 1.126 121.464 120.400 -0.103 0.000 2.339 428 D HA 0.102 4.748 4.640 0.010 0.000 0.217 428 D C -0.272 176.005 176.300 -0.039 0.000 1.050 428 D CA -0.162 53.792 54.000 -0.078 0.000 0.856 428 D CB -0.081 40.684 40.800 -0.059 0.000 0.922 428 D HN 0.347 nan 8.370 nan 0.000 0.518 429 D N -0.120 120.275 120.400 -0.009 0.000 2.392 429 D HA 0.127 4.773 4.640 0.010 0.000 0.228 429 D C -1.581 174.781 176.300 0.103 0.000 1.074 429 D CA -2.312 51.725 54.000 0.062 0.000 0.838 429 D CB 1.953 42.831 40.800 0.130 0.000 1.067 429 D HN -0.049 nan 8.370 nan 0.000 0.511 430 P HA -0.199 nan 4.420 nan 0.000 0.217 430 P C 1.038 178.347 177.300 0.015 0.000 1.148 430 P CA 0.924 64.036 63.100 0.021 0.000 0.834 430 P CB 0.297 31.997 31.700 0.001 0.000 0.783 431 R N -1.646 118.873 120.500 0.031 0.000 2.193 431 R HA -0.106 4.241 4.340 0.010 0.000 0.229 431 R C 1.708 177.892 176.300 -0.192 0.000 1.110 431 R CA 1.127 57.183 56.100 -0.074 0.000 0.988 431 R CB -0.802 29.447 30.300 -0.086 0.000 0.871 431 R HN 0.377 nan 8.270 nan 0.000 0.458 432 W N 0.139 121.387 121.300 -0.088 0.000 3.278 432 W HA 0.130 4.796 4.660 0.010 0.000 0.308 432 W C 1.581 178.043 176.519 -0.095 0.000 1.253 432 W CA -0.533 56.759 57.345 -0.089 0.000 1.759 432 W CB -0.071 29.334 29.460 -0.091 0.000 1.093 432 W HN -0.016 nan 8.180 nan 0.000 0.648 433 L N 2.170 123.421 121.223 0.046 0.000 2.083 433 L HA -0.034 4.313 4.340 0.010 0.000 0.209 433 L C -0.706 176.129 176.870 -0.059 0.000 1.083 433 L CA 2.136 56.968 54.840 -0.013 0.000 0.752 433 L CB -1.596 40.443 42.059 -0.033 0.000 0.899 433 L HN -0.232 nan 8.230 nan 0.000 0.433 434 P HA -0.130 nan 4.420 nan 0.000 0.214 434 P C 1.656 178.897 177.300 -0.099 0.000 1.162 434 P CA 2.161 65.194 63.100 -0.112 0.000 0.879 434 P CB -0.245 31.379 31.700 -0.126 0.000 0.786 435 A N -0.732 122.035 122.820 -0.088 0.000 1.883 435 A HA -0.222 4.105 4.320 0.010 0.000 0.217 435 A C 2.301 179.895 177.584 0.016 0.000 1.186 435 A CA 2.253 54.273 52.037 -0.028 0.000 0.624 435 A CB -1.587 17.424 19.000 0.018 0.000 0.822 435 A HN 0.094 nan 8.150 nan 0.000 0.444 436 M N 0.263 119.890 119.600 0.045 0.000 2.080 436 M HA -0.185 4.302 4.480 0.010 0.000 0.260 436 M C 2.592 178.843 176.300 -0.082 0.000 1.068 436 M CA 1.979 57.284 55.300 0.010 0.000 1.109 436 M CB -0.466 32.126 32.600 -0.013 0.000 1.342 436 M HN 0.684 nan 8.290 nan 0.000 0.405 437 S N 0.437 116.057 115.700 -0.133 0.000 2.374 437 S HA -0.214 4.262 4.470 0.010 0.000 0.227 437 S C 1.604 176.035 174.600 -0.282 0.000 1.037 437 S CA 1.690 59.741 58.200 -0.248 0.000 1.024 437 S CB -0.735 62.288 63.200 -0.295 0.000 0.861 437 S HN 0.544 nan 8.310 nan 0.000 0.456 438 E N 1.063 121.147 120.200 -0.193 0.000 2.153 438 E HA -0.096 4.261 4.350 0.010 0.000 0.194 438 E C 2.370 178.888 176.600 -0.136 0.000 0.988 438 E CA 0.899 57.194 56.400 -0.175 0.000 0.811 438 E CB -0.195 29.440 29.700 -0.110 0.000 0.746 438 E HN 0.592 nan 8.360 nan 0.000 0.466 439 R N 0.261 120.711 120.500 -0.082 0.000 2.148 439 R HA -0.068 4.278 4.340 0.010 0.000 0.227 439 R C 2.210 178.476 176.300 -0.057 0.000 1.103 439 R CA 0.611 56.695 56.100 -0.026 0.000 0.983 439 R CB 0.072 30.396 30.300 0.040 0.000 0.874 439 R HN 0.015 nan 8.270 nan 0.000 0.451 440 V N -0.152 119.677 119.914 -0.141 0.000 2.436 440 V HA -0.169 3.957 4.120 0.010 0.000 0.240 440 V C 2.490 178.410 176.094 -0.291 0.000 1.040 440 V CA 2.012 64.203 62.300 -0.182 0.000 1.052 440 V CB -0.296 31.410 31.823 -0.195 0.000 0.707 440 V HN 0.497 nan 8.190 nan 0.000 0.469 441 T N -0.377 113.884 114.554 -0.487 0.000 2.684 441 T HA -0.282 4.075 4.350 0.010 0.000 0.267 441 T C 1.943 176.500 174.700 -0.239 0.000 1.036 441 T CA 1.657 63.405 62.100 -0.587 0.000 1.148 441 T CB -0.471 67.852 68.868 -0.909 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.436 442 R N 0.256 120.634 120.500 -0.203 0.000 2.189 442 R HA 0.166 4.512 4.340 0.010 0.000 0.223 442 R C 2.642 178.864 176.300 -0.131 0.000 1.092 442 R CA 1.386 57.399 56.100 -0.145 0.000 0.989 442 R CB -0.442 29.780 30.300 -0.129 0.000 0.876 442 R HN 0.539 nan 8.270 nan 0.000 0.457 443 M N 0.405 119.932 119.600 -0.122 0.000 2.123 443 M HA -0.119 4.368 4.480 0.010 0.000 0.263 443 M C 1.825 178.044 176.300 -0.135 0.000 1.069 443 M CA 1.580 56.835 55.300 -0.075 0.000 1.133 443 M CB 0.143 32.742 32.600 -0.001 0.000 1.356 443 M HN -0.035 nan 8.290 nan 0.000 0.415 444 V N 1.114 120.848 119.914 -0.301 0.000 2.307 444 V HA -0.278 3.848 4.120 0.010 0.000 0.245 444 V C 2.233 178.198 176.094 -0.216 0.000 1.045 444 V CA 2.009 64.006 62.300 -0.505 0.000 1.024 444 V CB -0.895 30.564 31.823 -0.607 0.000 0.651 444 V HN 0.586 nan 8.190 nan 0.000 0.449 445 Q N -0.706 119.011 119.800 -0.138 0.000 2.291 445 Q HA -0.202 4.145 4.340 0.010 0.000 0.206 445 Q C 2.420 178.329 176.000 -0.153 0.000 0.976 445 Q CA 1.335 57.064 55.803 -0.124 0.000 0.875 445 Q CB -0.158 28.539 28.738 -0.068 0.000 0.927 445 Q HN 0.520 nan 8.270 nan 0.000 0.450 446 R N 0.333 120.740 120.500 -0.155 0.000 2.090 446 R HA -0.074 4.272 4.340 0.010 0.000 0.219 446 R C 0.479 176.693 176.300 -0.142 0.000 1.100 446 R CA 1.200 57.187 56.100 -0.189 0.000 0.991 446 R CB 0.461 30.646 30.300 -0.191 0.000 0.893 446 R HN 0.162 nan 8.270 nan 0.000 0.443 447 D N 0.166 120.540 120.400 -0.043 0.000 2.398 447 D HA -0.004 4.642 4.640 0.010 0.000 0.210 447 D C 1.257 177.634 176.300 0.129 0.000 1.094 447 D CA 0.058 54.069 54.000 0.017 0.000 0.839 447 D CB 0.233 40.979 40.800 -0.090 0.000 0.963 447 D HN 0.362 nan 8.370 nan 0.000 0.506 448 R N 0.769 121.369 120.500 0.168 0.000 2.316 448 R HA -0.047 4.299 4.340 0.010 0.000 0.232 448 R C 0.674 176.957 176.300 -0.029 0.000 1.137 448 R CA 0.930 57.132 56.100 0.171 0.000 1.012 448 R CB -0.330 30.001 30.300 0.050 0.000 0.859 448 R HN -0.040 nan 8.270 nan 0.000 0.474 449 N N -0.026 118.587 118.700 -0.145 0.000 2.236 449 N HA 0.008 4.754 4.740 0.010 0.000 0.196 449 N C -0.470 174.909 175.510 -0.218 0.000 1.114 449 N CA 0.117 53.051 53.050 -0.193 0.000 0.859 449 N CB 0.145 38.480 38.487 -0.254 0.000 0.982 449 N HN 0.243 nan 8.380 nan 0.000 0.493 450 H N 1.823 120.816 119.070 -0.129 0.000 2.955 450 H HA 0.086 4.648 4.556 0.010 0.000 0.290 450 H C -1.181 173.981 175.328 -0.278 0.000 1.047 450 H CA -1.091 54.866 56.048 -0.152 0.000 1.484 450 H CB 1.362 31.075 29.762 -0.083 0.000 1.501 450 H HN 0.067 nan 8.280 nan 0.000 0.521 451 P HA -0.142 nan 4.420 nan 0.000 0.221 451 P C 1.507 178.312 177.300 -0.825 0.000 1.150 451 P CA 1.068 63.789 63.100 -0.632 0.000 0.800 451 P CB 0.260 31.316 31.700 -1.074 0.000 0.787 452 S N -0.584 114.718 115.700 -0.664 0.000 2.383 452 S HA -0.084 4.392 4.470 0.010 0.000 0.229 452 S C 1.165 175.737 174.600 -0.045 0.000 1.030 452 S CA 0.638 58.661 58.200 -0.295 0.000 1.002 452 S CB -1.698 61.473 63.200 -0.049 0.000 0.829 452 S HN -0.043 nan 8.310 nan 0.000 0.467 453 V N 3.897 123.755 119.914 -0.094 0.000 2.403 453 V HA 0.164 4.290 4.120 0.010 0.000 0.265 453 V C 1.128 177.082 176.094 -0.233 0.000 1.034 453 V CA 0.272 62.484 62.300 -0.148 0.000 1.036 453 V CB 0.007 31.658 31.823 -0.287 0.000 1.032 453 V HN 0.646 nan 8.190 nan 0.000 0.478 454 I N 2.747 123.240 120.570 -0.127 0.000 4.181 454 I HA 0.504 4.680 4.170 0.010 0.000 0.331 454 I C 0.388 176.390 176.117 -0.191 0.000 1.312 454 I CA 0.474 61.705 61.300 -0.116 0.000 1.146 454 I CB 0.465 38.482 38.000 0.027 0.000 1.074 454 I HN 0.318 nan 8.210 nan 0.000 0.402 455 I N -0.039 120.390 120.570 -0.235 0.000 2.722 455 I HA 0.382 4.559 4.170 0.010 0.000 0.295 455 I C -1.558 174.434 176.117 -0.209 0.000 1.161 455 I CA -0.368 60.828 61.300 -0.173 0.000 1.032 455 I CB 2.200 40.201 38.000 0.001 0.000 1.244 455 I HN 0.011 nan 8.210 nan 0.000 0.421 456 W N 3.465 124.809 121.300 0.073 0.000 2.570 456 W HA 0.677 5.342 4.660 0.008 0.000 0.337 456 W C 0.231 176.811 176.519 0.102 0.000 1.067 456 W CA -0.720 56.674 57.345 0.081 0.000 1.229 456 W CB 1.801 31.301 29.460 0.067 0.000 1.355 456 W HN 0.306 nan 8.180 nan 0.000 0.555 457 S N 2.408 118.344 115.700 0.394 0.000 2.521 457 S HA 0.383 4.859 4.470 0.010 0.000 0.295 457 S C 0.198 174.969 174.600 0.284 0.000 1.098 457 S CA -0.696 57.684 58.200 0.301 0.000 0.999 457 S CB 0.853 64.185 63.200 0.219 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.116 125.500 121.223 0.269 0.000 2.622 458 L HA 0.319 4.665 4.340 0.010 0.000 0.233 458 L C 1.483 178.424 176.870 0.118 0.000 1.156 458 L CA 0.624 55.539 54.840 0.124 0.000 0.866 458 L CB -1.219 40.809 42.059 -0.051 0.000 0.980 458 L HN 1.012 nan 8.230 nan 0.000 0.448 459 G N -0.018 108.942 108.800 0.266 0.000 2.297 459 G HA2 -0.140 3.826 3.960 0.010 0.000 0.209 459 G HA3 -0.140 3.826 3.960 0.010 0.000 0.209 459 G C -1.529 173.597 174.900 0.376 0.000 1.267 459 G CA -0.372 44.899 45.100 0.285 0.000 1.127 459 G HN 0.213 nan 8.290 nan 0.000 0.498 460 N N 0.198 119.064 118.700 0.277 0.000 2.405 460 N HA 0.458 5.204 4.740 0.010 0.000 0.274 460 N C -0.547 174.928 175.510 -0.058 0.000 1.170 460 N CA 0.177 53.240 53.050 0.022 0.000 0.848 460 N CB 1.496 39.765 38.487 -0.363 0.000 1.629 460 N HN 0.921 nan 8.380 nan 0.000 0.481 461 E N 0.733 120.795 120.200 -0.229 0.000 2.202 461 E HA -0.179 4.177 4.350 0.010 0.000 0.169 461 E C -0.871 175.639 176.600 -0.148 0.000 1.536 461 E CA 0.799 56.986 56.400 -0.356 0.000 0.664 461 E CB -1.317 27.912 29.700 -0.785 0.000 1.064 461 E HN 0.428 nan 8.360 nan 0.000 0.327 462 S N 0.189 115.944 115.700 0.090 0.000 2.977 462 S HA 0.398 4.874 4.470 0.010 0.000 0.250 462 S C 0.593 175.360 174.600 0.279 0.000 1.005 462 S CA -0.152 58.169 58.200 0.202 0.000 1.081 462 S CB 1.377 64.775 63.200 0.330 0.000 1.018 462 S HN 0.865 nan 8.310 nan 0.000 0.539 463 G N 1.967 110.857 108.800 0.151 0.000 2.633 463 G HA2 -0.265 3.701 3.960 0.010 0.000 0.263 463 G HA3 -0.265 3.701 3.960 0.010 0.000 0.263 463 G C -0.528 174.568 174.900 0.328 0.000 1.310 463 G CA -0.109 45.090 45.100 0.164 0.000 0.914 463 G HN 0.640 nan 8.290 nan 0.000 0.569 464 H N 0.563 119.758 119.070 0.208 0.000 2.800 464 H HA 0.578 5.140 4.556 0.010 0.000 0.322 464 H C 0.337 175.841 175.328 0.293 0.000 0.979 464 H CA 0.008 56.220 56.048 0.273 0.000 1.277 464 H CB 0.676 30.534 29.762 0.160 0.000 1.484 464 H HN 1.032 nan 8.280 nan 0.000 0.512 465 G N 1.583 110.443 108.800 0.100 0.000 2.600 465 G HA2 0.449 4.415 3.960 0.010 0.000 0.303 465 G HA3 0.449 4.415 3.960 0.010 0.000 0.303 465 G C 0.631 175.368 174.900 -0.272 0.000 1.253 465 G CA -0.149 44.845 45.100 -0.177 0.000 0.974 465 G HN 0.680 nan 8.290 nan 0.000 0.483 466 A N 0.534 123.244 122.820 -0.184 0.000 1.986 466 A HA -0.138 4.189 4.320 0.010 0.000 0.220 466 A C 2.185 179.732 177.584 -0.062 0.000 1.171 466 A CA 2.087 54.065 52.037 -0.098 0.000 0.640 466 A CB -0.511 18.460 19.000 -0.049 0.000 0.811 466 A HN 0.554 nan 8.150 nan 0.000 0.451 467 N N -0.331 118.298 118.700 -0.119 0.000 2.149 467 N HA -0.166 4.580 4.740 0.010 0.000 0.188 467 N C 1.400 176.840 175.510 -0.117 0.000 1.019 467 N CA 1.836 54.804 53.050 -0.137 0.000 0.857 467 N CB -0.686 37.679 38.487 -0.205 0.000 0.997 467 N HN 0.799 nan 8.380 nan 0.000 0.426 468 H N 0.013 119.059 119.070 -0.041 0.000 2.357 468 H HA -0.021 4.541 4.556 0.010 0.000 0.301 468 H C 1.273 176.672 175.328 0.119 0.000 1.082 468 H CA 1.213 57.253 56.048 -0.014 0.000 1.342 468 H CB 0.135 29.894 29.762 -0.005 0.000 1.389 468 H HN 0.173 nan 8.280 nan 0.000 0.511 469 D N 0.354 120.908 120.400 0.257 0.000 2.097 469 D HA -0.133 4.514 4.640 0.010 0.000 0.195 469 D C 2.327 178.777 176.300 0.250 0.000 0.989 469 D CA 1.202 55.352 54.000 0.249 0.000 0.827 469 D CB -0.476 40.437 40.800 0.189 0.000 0.966 469 D HN 0.414 nan 8.370 nan 0.000 0.456 470 A N 0.882 123.798 122.820 0.160 0.000 1.883 470 A HA -0.154 4.172 4.320 0.010 0.000 0.217 470 A C 2.433 180.128 177.584 0.185 0.000 1.186 470 A CA 1.113 53.235 52.037 0.142 0.000 0.624 470 A CB -0.851 18.188 19.000 0.066 0.000 0.822 470 A HN 0.216 nan 8.150 nan 0.000 0.444 471 L N -2.221 119.091 121.223 0.149 0.000 2.093 471 L HA -0.167 4.179 4.340 0.010 0.000 0.208 471 L C 2.624 179.633 176.870 0.231 0.000 1.085 471 L CA 1.759 56.683 54.840 0.140 0.000 0.755 471 L CB -0.723 41.348 42.059 0.021 0.000 0.904 471 L HN 0.633 nan 8.230 nan 0.000 0.435 472 Y N 1.282 121.665 120.300 0.138 0.000 2.128 472 Y HA -0.334 4.221 4.550 0.008 0.000 0.284 472 Y C 2.837 178.821 175.900 0.140 0.000 1.154 472 Y CA 1.861 60.047 58.100 0.143 0.000 1.149 472 Y CB -0.150 38.396 38.460 0.143 0.000 0.976 472 Y HN -0.020 nan 8.280 nan 0.000 0.505 473 R N -0.062 120.579 120.500 0.235 0.000 2.092 473 R HA -0.204 4.142 4.340 0.010 0.000 0.231 473 R C 2.024 178.340 176.300 0.027 0.000 1.119 473 R CA 1.913 58.076 56.100 0.106 0.000 0.970 473 R CB -1.542 28.893 30.300 0.224 0.000 0.864 473 R HN 0.649 nan 8.270 nan 0.000 0.440 474 W N 0.579 121.843 121.300 -0.060 0.000 2.335 474 W HA -0.171 4.496 4.660 0.011 0.000 0.311 474 W C 1.667 178.095 176.519 -0.151 0.000 1.213 474 W CA 2.166 59.458 57.345 -0.089 0.000 1.274 474 W CB -0.278 29.134 29.460 -0.080 0.000 1.148 474 W HN 0.093 nan 8.180 nan 0.000 0.498 475 I N 0.783 121.362 120.570 0.016 0.000 2.179 475 I HA -0.349 3.827 4.170 0.010 0.000 0.242 475 I C 2.416 178.320 176.117 -0.355 0.000 1.088 475 I CA 1.365 62.504 61.300 -0.268 0.000 1.357 475 I CB -0.742 37.157 38.000 -0.168 0.000 1.051 475 I HN -0.121 nan 8.210 nan 0.000 0.409 476 K N 0.291 120.500 120.400 -0.318 0.000 2.211 476 K HA -0.145 4.181 4.320 0.010 0.000 0.204 476 K C 2.250 178.720 176.600 -0.218 0.000 1.047 476 K CA 1.193 57.326 56.287 -0.257 0.000 0.935 476 K CB -0.502 31.825 32.500 -0.288 0.000 0.728 476 K HN 0.229 nan 8.250 nan 0.000 0.452 477 S N 0.709 116.239 115.700 -0.284 0.000 2.362 477 S HA -0.083 4.394 4.470 0.010 0.000 0.221 477 S C 1.994 176.384 174.600 -0.350 0.000 1.032 477 S CA 1.194 59.228 58.200 -0.276 0.000 0.973 477 S CB -0.073 62.948 63.200 -0.297 0.000 0.849 477 S HN 0.175 nan 8.310 nan 0.000 0.465 478 V N -0.711 118.854 119.914 -0.581 0.000 2.649 478 V HA 0.245 4.371 4.120 0.010 0.000 0.248 478 V C 0.323 176.201 176.094 -0.359 0.000 1.054 478 V CA 1.491 63.445 62.300 -0.577 0.000 1.073 478 V CB -0.358 30.878 31.823 -0.977 0.000 0.699 478 V HN 0.459 nan 8.190 nan 0.000 0.463 479 D N -0.085 120.148 120.400 -0.279 0.000 2.381 479 D HA 0.386 5.032 4.640 0.010 0.000 0.245 479 D C -2.293 174.003 176.300 -0.007 0.000 1.297 479 D CA -1.689 52.253 54.000 -0.097 0.000 0.931 479 D CB 1.607 42.423 40.800 0.026 0.000 1.334 479 D HN 0.108 nan 8.370 nan 0.000 0.535 480 P HA -0.091 nan 4.420 nan 0.000 0.225 480 P C 1.288 178.608 177.300 0.033 0.000 1.148 480 P CA 0.740 63.837 63.100 -0.006 0.000 0.779 480 P CB 0.177 31.868 31.700 -0.014 0.000 0.780 481 S N -1.658 114.070 115.700 0.046 0.000 2.474 481 S HA -0.012 4.464 4.470 0.010 0.000 0.235 481 S C 0.909 175.534 174.600 0.042 0.000 0.997 481 S CA 0.315 58.545 58.200 0.051 0.000 0.949 481 S CB -0.422 62.802 63.200 0.041 0.000 0.766 481 S HN 0.079 nan 8.310 nan 0.000 0.517 482 R N 1.085 121.624 120.500 0.065 0.000 2.686 482 R HA 0.565 4.911 4.340 0.010 0.000 0.283 482 R C -3.180 173.166 176.300 0.076 0.000 0.978 482 R CA -2.351 53.755 56.100 0.011 0.000 0.897 482 R CB 1.510 31.700 30.300 -0.183 0.000 1.192 482 R HN 0.132 nan 8.270 nan 0.000 0.457 483 P HA 0.107 nan 4.420 nan 0.000 0.272 483 P C -0.887 176.505 177.300 0.153 0.000 1.230 483 P CA -0.344 62.812 63.100 0.093 0.000 0.788 483 P CB 0.706 32.448 31.700 0.069 0.000 0.949 484 V N 2.253 122.285 119.914 0.197 0.000 2.604 484 V HA 0.449 4.576 4.120 0.010 0.000 0.305 484 V C 0.129 176.400 176.094 0.295 0.000 1.043 484 V CA -0.418 62.043 62.300 0.269 0.000 0.888 484 V CB 1.382 33.315 31.823 0.184 0.000 0.995 484 V HN 0.631 nan 8.190 nan 0.000 0.429 485 Q N 3.410 123.370 119.800 0.267 0.000 2.528 485 Q HA 0.837 5.183 4.340 0.010 0.000 0.289 485 Q C -1.885 174.285 176.000 0.283 0.000 1.091 485 Q CA -0.967 54.965 55.803 0.216 0.000 0.797 485 Q CB 3.041 31.849 28.738 0.117 0.000 1.466 485 Q HN 0.626 nan 8.270 nan 0.000 0.436 486 Y N -0.146 120.171 120.300 0.029 0.000 2.409 486 Y HA 0.150 4.705 4.550 0.009 0.000 0.321 486 Y C -0.670 175.181 175.900 -0.081 0.000 1.209 486 Y CA -0.757 57.330 58.100 -0.022 0.000 1.086 486 Y CB 2.033 40.472 38.460 -0.034 0.000 1.320 486 Y HN 0.943 nan 8.280 nan 0.000 0.440 487 E N 3.240 122.928 120.200 -0.853 0.000 2.364 487 E HA 0.158 4.514 4.350 0.010 0.000 0.196 487 E C 0.608 176.783 176.600 -0.709 0.000 0.990 487 E CA 0.728 56.761 56.400 -0.611 0.000 0.886 487 E CB 0.266 29.735 29.700 -0.385 0.000 0.866 487 E HN 0.887 nan 8.360 nan 0.000 0.493 488 G N 0.255 108.246 108.800 -1.347 0.000 2.368 488 G HA2 0.199 4.165 3.960 0.010 0.000 0.233 488 G HA3 0.199 4.165 3.960 0.010 0.000 0.233 488 G C 0.839 175.629 174.900 -0.183 0.000 1.267 488 G CA 0.394 45.100 45.100 -0.656 0.000 0.873 488 G HN 0.398 nan 8.290 nan 0.000 0.539 489 G N 0.081 108.860 108.800 -0.034 0.000 2.176 489 G HA2 0.228 4.194 3.960 0.010 0.000 0.252 489 G HA3 0.228 4.194 3.960 0.010 0.000 0.252 489 G C 1.253 176.178 174.900 0.041 0.000 1.024 489 G CA 0.966 46.107 45.100 0.068 0.000 0.755 489 G HN 2.617 nan 8.290 nan 0.000 0.507 490 G N -1.643 107.173 108.800 0.026 0.000 2.260 490 G HA2 0.420 4.386 3.960 0.010 0.000 0.179 490 G HA3 0.420 4.386 3.960 0.010 0.000 0.179 490 G C 1.163 176.191 174.900 0.213 0.000 1.002 490 G CA 1.321 46.499 45.100 0.130 0.000 0.677 490 G HN 2.313 nan 8.290 nan 0.000 0.486 491 A N -0.088 122.739 122.820 0.011 0.000 3.420 491 A HA -0.139 4.187 4.320 0.010 0.000 0.269 491 A C 1.079 178.610 177.584 -0.087 0.000 1.122 491 A CA 2.687 54.669 52.037 -0.092 0.000 1.023 491 A CB -1.783 17.137 19.000 -0.134 0.000 1.099 491 A HN 2.062 nan 8.150 nan 0.000 0.860 492 D N -1.129 119.298 120.400 0.045 0.000 2.760 492 D HA 0.304 4.950 4.640 0.010 0.000 0.314 492 D C 0.423 176.723 176.300 0.000 0.000 1.464 492 D CA 0.727 54.747 54.000 0.035 0.000 0.797 492 D CB -1.195 39.756 40.800 0.252 0.000 1.149 492 D HN 0.789 nan 8.370 nan 0.000 0.455 493 T N -2.312 112.180 114.554 -0.104 0.000 2.652 493 T HA 0.162 4.518 4.350 0.010 0.000 0.319 493 T C 1.641 176.207 174.700 -0.222 0.000 1.029 493 T CA 0.541 62.506 62.100 -0.225 0.000 0.990 493 T CB 0.703 69.211 68.868 -0.600 0.000 1.098 493 T HN 0.096 nan 8.240 nan 0.000 0.520 494 T N -2.484 111.917 114.554 -0.254 0.000 3.113 494 T HA 0.197 4.553 4.350 0.010 0.000 0.263 494 T C 1.673 176.114 174.700 -0.432 0.000 1.143 494 T CA 0.343 62.309 62.100 -0.223 0.000 1.090 494 T CB -0.489 68.323 68.868 -0.093 0.000 0.922 494 T HN 0.825 nan 8.240 nan 0.000 0.521 495 A N 0.487 123.066 122.820 -0.402 0.000 2.379 495 A HA 0.477 4.803 4.320 0.010 0.000 0.236 495 A C 0.925 178.354 177.584 -0.258 0.000 1.272 495 A CA -0.147 51.639 52.037 -0.418 0.000 0.886 495 A CB -0.016 19.005 19.000 0.036 0.000 0.962 495 A HN 0.435 nan 8.150 nan 0.000 0.504 496 T N -1.435 112.982 114.554 -0.229 0.000 2.952 496 T HA 0.373 4.730 4.350 0.010 0.000 0.305 496 T C -0.557 174.176 174.700 0.056 0.000 1.064 496 T CA -0.473 61.648 62.100 0.036 0.000 1.008 496 T CB 1.230 70.113 68.868 0.024 0.000 1.078 496 T HN 0.082 nan 8.240 nan 0.000 0.459 497 D N 2.854 123.368 120.400 0.190 0.000 2.323 497 D HA 0.245 4.891 4.640 0.010 0.000 0.209 497 D C 0.446 176.779 176.300 0.054 0.000 0.973 497 D CA 0.796 54.883 54.000 0.145 0.000 0.874 497 D CB 0.351 41.260 40.800 0.182 0.000 0.930 497 D HN 0.545 nan 8.370 nan 0.000 0.521 498 I N 0.698 121.282 120.570 0.025 0.000 2.608 498 I HA 0.259 4.435 4.170 0.010 0.000 0.295 498 I C -0.151 175.899 176.117 -0.111 0.000 1.049 498 I CA -0.952 60.325 61.300 -0.039 0.000 1.063 498 I CB 2.874 40.862 38.000 -0.020 0.000 1.248 498 I HN -0.360 nan 8.210 nan 0.000 0.424 499 I N 5.396 125.849 120.570 -0.194 0.000 2.421 499 I HA 0.058 4.234 4.170 0.010 0.000 0.291 499 I C 0.130 176.031 176.117 -0.361 0.000 1.089 499 I CA 0.002 61.085 61.300 -0.362 0.000 1.354 499 I CB 0.146 37.825 38.000 -0.534 0.000 1.413 499 I HN 0.670 nan 8.210 nan 0.000 0.513 500 C N 5.686 124.797 119.300 -0.313 0.000 3.276 500 C HA 0.465 4.932 4.460 0.010 0.000 0.226 500 C C -2.091 172.765 174.990 -0.223 0.000 1.502 500 C CA -2.344 56.543 59.018 -0.219 0.000 1.488 500 C CB -0.963 26.706 27.740 -0.118 0.000 2.014 500 C HN 0.404 nan 8.230 nan 0.000 0.492 501 P HA 0.258 nan 4.420 nan 0.000 0.272 501 P C -0.390 176.865 177.300 -0.075 0.000 1.240 501 P CA 0.395 63.397 63.100 -0.162 0.000 0.791 501 P CB 0.758 32.384 31.700 -0.124 0.000 0.978 502 M N 0.617 120.204 119.600 -0.023 0.000 2.227 502 M HA 0.427 4.913 4.480 0.010 0.000 0.335 502 M C -0.710 175.609 176.300 0.032 0.000 1.053 502 M CA -0.570 54.626 55.300 -0.173 0.000 0.973 502 M CB 1.101 33.603 32.600 -0.164 0.000 1.623 502 M HN 0.359 nan 8.290 nan 0.000 0.434 503 Y N -0.157 120.312 120.300 0.281 0.000 4.668 503 Y HA -0.235 4.322 4.550 0.011 0.000 0.234 503 Y C 0.593 176.666 175.900 0.288 0.000 1.056 503 Y CA 0.444 58.712 58.100 0.281 0.000 2.025 503 Y CB -2.307 36.285 38.460 0.221 0.000 1.613 503 Y HN 0.992 nan 8.280 nan 0.000 0.653 504 A N 1.441 124.484 122.820 0.372 0.000 2.462 504 A HA 0.521 4.848 4.320 0.010 0.000 0.243 504 A C 0.746 178.546 177.584 0.359 0.000 1.076 504 A CA -0.308 51.945 52.037 0.360 0.000 0.773 504 A CB 0.346 19.610 19.000 0.439 0.000 1.010 504 A HN 0.411 nan 8.150 nan 0.000 0.493 505 R N 1.532 122.166 120.500 0.222 0.000 2.553 505 R HA 0.368 4.714 4.340 0.010 0.000 0.263 505 R C 0.992 177.234 176.300 -0.096 0.000 1.066 505 R CA -0.799 55.352 56.100 0.084 0.000 1.135 505 R CB 0.552 30.878 30.300 0.044 0.000 1.148 505 R HN 0.448 nan 8.270 nan 0.000 0.558 506 V N 0.667 120.363 119.914 -0.363 0.000 2.261 506 V HA -0.230 3.896 4.120 0.010 0.000 0.246 506 V C 1.048 177.021 176.094 -0.201 0.000 1.047 506 V CA 1.916 63.978 62.300 -0.397 0.000 1.015 506 V CB -0.298 31.172 31.823 -0.588 0.000 0.642 506 V HN 0.755 nan 8.190 nan 0.000 0.446 507 D N -1.390 118.924 120.400 -0.143 0.000 2.455 507 D HA 0.083 4.729 4.640 0.010 0.000 0.228 507 D C 0.995 177.277 176.300 -0.030 0.000 1.070 507 D CA 0.059 54.013 54.000 -0.077 0.000 0.881 507 D CB 0.541 41.300 40.800 -0.067 0.000 1.087 507 D HN 0.508 nan 8.370 nan 0.000 0.498 508 E N 2.133 122.316 120.200 -0.027 0.000 2.152 508 E HA 0.076 4.433 4.350 0.010 0.000 0.285 508 E C -0.826 175.770 176.600 -0.006 0.000 1.043 508 E CA -0.558 55.835 56.400 -0.011 0.000 0.839 508 E CB 0.699 30.393 29.700 -0.010 0.000 1.069 508 E HN -0.173 nan 8.360 nan 0.000 0.399 509 D N 4.144 124.544 120.400 -0.001 0.000 2.345 509 D HA 0.095 4.741 4.640 0.010 0.000 0.247 509 D C -0.516 175.672 176.300 -0.188 0.000 1.108 509 D CA 0.325 54.316 54.000 -0.015 0.000 0.894 509 D CB 1.152 42.029 40.800 0.128 0.000 1.203 509 D HN 0.448 nan 8.370 nan 0.000 0.430 510 Q N 1.787 121.339 119.800 -0.413 0.000 3.064 510 Q HA 0.221 4.567 4.340 0.010 0.000 0.258 510 Q C -2.208 173.136 176.000 -1.092 0.000 0.972 510 Q CA -1.482 53.877 55.803 -0.740 0.000 0.761 510 Q CB 2.134 30.413 28.738 -0.765 0.000 1.281 510 Q HN 0.178 nan 8.270 nan 0.000 0.455 511 P HA -0.044 nan 4.420 nan 0.000 0.238 511 P C -0.623 176.373 177.300 -0.508 0.000 1.714 511 P CA 0.084 62.753 63.100 -0.718 0.000 0.908 511 P CB -0.699 30.793 31.700 -0.347 0.000 1.893 512 F N 1.458 121.236 119.950 -0.287 0.000 2.545 512 F HA 0.141 4.674 4.527 0.010 0.000 0.348 512 F C -1.236 174.459 175.800 -0.175 0.000 1.163 512 F CA -2.318 55.573 58.000 -0.183 0.000 1.331 512 F CB -0.716 38.197 39.000 -0.145 0.000 1.138 512 F HN 0.012 nan 8.300 nan 0.000 0.602 513 P HA 0.156 nan 4.420 nan 0.000 0.271 513 P C 0.245 177.570 177.300 0.041 0.000 1.216 513 P CA 0.917 64.044 63.100 0.046 0.000 0.771 513 P CB 1.279 33.003 31.700 0.041 0.000 0.864 514 A N 3.151 125.987 122.820 0.028 0.000 3.275 514 A HA -0.242 4.085 4.320 0.010 0.000 0.241 514 A C 0.723 178.327 177.584 0.033 0.000 0.607 514 A CA 2.055 54.113 52.037 0.034 0.000 1.181 514 A CB -2.650 16.369 19.000 0.032 0.000 1.304 514 A HN 0.620 nan 8.150 nan 0.000 0.682 515 V N -3.195 116.735 119.914 0.026 0.000 2.562 515 V HA 0.516 4.642 4.120 0.010 0.000 0.274 515 V C -2.401 173.690 176.094 -0.005 0.000 1.075 515 V CA -1.269 61.047 62.300 0.027 0.000 1.204 515 V CB 0.450 32.297 31.823 0.039 0.000 1.478 515 V HN 0.438 nan 8.190 nan 0.000 0.622 516 P HA 0.197 nan 4.420 nan 0.000 0.268 516 P C -0.526 176.340 177.300 -0.723 0.000 1.208 516 P CA 0.312 63.026 63.100 -0.644 0.000 0.777 516 P CB 0.884 31.733 31.700 -1.419 0.000 0.875 517 K N 2.019 122.013 120.400 -0.676 0.000 2.478 517 K HA 0.211 4.537 4.320 0.010 0.000 0.236 517 K C -0.456 175.806 176.600 -0.563 0.000 1.021 517 K CA -0.291 55.792 56.287 -0.341 0.000 1.010 517 K CB 0.363 32.933 32.500 0.117 0.000 1.331 517 K HN 0.453 nan 8.250 nan 0.000 0.470 518 W N 1.314 122.303 121.300 -0.519 0.000 2.126 518 W HA 0.048 4.715 4.660 0.012 0.000 0.346 518 W C 1.306 177.826 176.519 0.001 0.000 1.279 518 W CA -0.441 56.693 57.345 -0.351 0.000 1.259 518 W CB 0.433 29.531 29.460 -0.602 0.000 1.133 518 W HN 0.355 nan 8.180 nan 0.000 0.592 519 S N 3.333 119.193 115.700 0.268 0.000 2.563 519 S HA -0.076 4.400 4.470 0.010 0.000 0.294 519 S C 1.265 176.011 174.600 0.244 0.000 1.279 519 S CA -0.216 58.081 58.200 0.161 0.000 1.069 519 S CB 0.087 63.338 63.200 0.085 0.000 0.828 519 S HN 0.515 nan 8.310 nan 0.000 0.497 520 I N 2.382 123.060 120.570 0.180 0.000 2.335 520 I HA -0.175 4.001 4.170 0.010 0.000 0.251 520 I C 1.853 178.020 176.117 0.083 0.000 1.129 520 I CA 1.368 62.785 61.300 0.195 0.000 1.402 520 I CB -0.444 37.614 38.000 0.097 0.000 1.069 520 I HN 0.611 nan 8.210 nan 0.000 0.424 521 K N 1.458 121.815 120.400 -0.072 0.000 2.155 521 K HA -0.103 4.223 4.320 0.010 0.000 0.203 521 K C 2.251 178.869 176.600 0.031 0.000 1.052 521 K CA 1.198 57.373 56.287 -0.187 0.000 0.948 521 K CB -0.149 32.111 32.500 -0.401 0.000 0.728 521 K HN 0.383 nan 8.250 nan 0.000 0.448 522 K N 0.346 120.784 120.400 0.063 0.000 2.116 522 K HA -0.147 4.179 4.320 0.010 0.000 0.203 522 K C 1.818 178.463 176.600 0.076 0.000 1.052 522 K CA 0.658 56.967 56.287 0.036 0.000 0.952 522 K CB -0.033 32.457 32.500 -0.016 0.000 0.729 522 K HN 0.182 nan 8.250 nan 0.000 0.446 523 W N 2.239 123.546 121.300 0.012 0.000 2.318 523 W HA -0.221 4.444 4.660 0.007 0.000 0.313 523 W C 1.624 178.140 176.519 -0.006 0.000 1.221 523 W CA 1.277 58.644 57.345 0.037 0.000 1.266 523 W CB -0.715 28.844 29.460 0.165 0.000 1.150 523 W HN 0.088 nan 8.180 nan 0.000 0.496 524 L N 0.746 122.135 121.223 0.275 0.000 2.081 524 L HA -0.249 4.098 4.340 0.010 0.000 0.212 524 L C 2.240 179.181 176.870 0.118 0.000 1.080 524 L CA 2.005 56.940 54.840 0.158 0.000 0.754 524 L CB -1.042 41.098 42.059 0.137 0.000 0.893 524 L HN -0.002 nan 8.230 nan 0.000 0.433 525 S N -1.385 114.370 115.700 0.092 0.000 2.582 525 S HA 0.267 4.744 4.470 0.010 0.000 0.234 525 S C 0.522 175.117 174.600 -0.010 0.000 0.961 525 S CA -0.555 57.669 58.200 0.039 0.000 0.953 525 S CB -0.447 62.775 63.200 0.036 0.000 0.800 525 S HN 0.147 nan 8.310 nan 0.000 0.471 526 L N 2.336 123.548 121.223 -0.018 0.000 2.514 526 L HA 0.231 4.577 4.340 0.010 0.000 0.280 526 L C -2.163 174.682 176.870 -0.041 0.000 1.223 526 L CA -1.638 53.146 54.840 -0.093 0.000 0.864 526 L CB -0.220 41.763 42.059 -0.127 0.000 1.118 526 L HN 0.077 nan 8.230 nan 0.000 0.494 527 P HA 0.019 nan 4.420 nan 0.000 0.265 527 P C 0.775 178.071 177.300 -0.007 0.000 1.193 527 P CA 0.645 63.727 63.100 -0.030 0.000 0.765 527 P CB 0.699 32.375 31.700 -0.039 0.000 0.823 528 G N 1.349 110.151 108.800 0.004 0.000 2.212 528 G HA2 -0.291 3.675 3.960 0.010 0.000 0.266 528 G HA3 -0.291 3.675 3.960 0.010 0.000 0.266 528 G C 0.272 175.189 174.900 0.028 0.000 0.978 528 G CA 0.343 45.452 45.100 0.015 0.000 0.632 528 G HN 0.653 nan 8.290 nan 0.000 0.537 529 E N 0.948 121.171 120.200 0.037 0.000 2.338 529 E HA 0.587 4.943 4.350 0.010 0.000 0.272 529 E C 1.354 177.979 176.600 0.042 0.000 1.029 529 E CA 0.681 57.115 56.400 0.057 0.000 0.872 529 E CB 0.774 30.537 29.700 0.104 0.000 1.015 529 E HN 0.544 nan 8.360 nan 0.000 0.417 530 T N 0.521 115.095 114.554 0.034 0.000 3.080 530 T HA 0.311 4.667 4.350 0.010 0.000 0.280 530 T C 0.533 175.241 174.700 0.013 0.000 0.926 530 T CA -0.474 61.640 62.100 0.023 0.000 0.883 530 T CB 0.042 68.923 68.868 0.021 0.000 1.194 530 T HN 0.273 nan 8.240 nan 0.000 0.541 531 R N 2.472 122.975 120.500 0.005 0.000 2.827 531 R HA 0.395 4.741 4.340 0.010 0.000 0.269 531 R C -2.464 173.814 176.300 -0.036 0.000 1.048 531 R CA -1.409 54.682 56.100 -0.015 0.000 1.173 531 R CB -0.051 30.232 30.300 -0.029 0.000 1.070 531 R HN 0.267 nan 8.270 nan 0.000 0.498 532 P HA 0.121 nan 4.420 nan 0.000 0.276 532 P C -1.093 176.136 177.300 -0.119 0.000 1.252 532 P CA -0.241 62.816 63.100 -0.071 0.000 0.802 532 P CB 0.707 32.363 31.700 -0.072 0.000 1.035 533 L N 1.995 123.130 121.223 -0.148 0.000 2.349 533 L HA 0.582 4.928 4.340 0.010 0.000 0.278 533 L C -1.058 175.671 176.870 -0.235 0.000 0.996 533 L CA -0.666 54.049 54.840 -0.209 0.000 0.825 533 L CB 0.622 42.550 42.059 -0.218 0.000 1.243 533 L HN 0.222 nan 8.230 nan 0.000 0.412 534 I N 5.821 126.258 120.570 -0.220 0.000 2.497 534 I HA 0.254 4.430 4.170 0.010 0.000 0.284 534 I C -0.762 175.268 176.117 -0.145 0.000 1.060 534 I CA -0.561 60.601 61.300 -0.230 0.000 1.071 534 I CB 1.954 39.877 38.000 -0.127 0.000 1.216 534 I HN 0.481 nan 8.210 nan 0.000 0.442 535 L N 5.553 126.664 121.223 -0.186 0.000 2.462 535 L HA 0.027 4.373 4.340 0.010 0.000 0.272 535 L C 1.536 178.477 176.870 0.119 0.000 1.166 535 L CA -0.129 54.667 54.840 -0.074 0.000 0.880 535 L CB 0.653 42.650 42.059 -0.103 0.000 1.142 535 L HN 0.865 nan 8.230 nan 0.000 0.473 536 C N 0.370 119.710 119.300 0.066 0.000 2.446 536 C HA 0.106 4.572 4.460 0.010 0.000 0.279 536 C C 0.685 175.803 174.990 0.213 0.000 1.366 536 C CA -0.099 58.992 59.018 0.121 0.000 1.763 536 C CB -1.082 26.650 27.740 -0.014 0.000 1.929 536 C HN 0.838 nan 8.230 nan 0.000 0.509 537 E N -1.117 119.144 120.200 0.102 0.000 2.335 537 E HA 0.651 5.007 4.350 0.010 0.000 0.280 537 E C -1.224 175.319 176.600 -0.094 0.000 0.918 537 E CA -0.469 55.970 56.400 0.065 0.000 0.765 537 E CB 2.060 31.599 29.700 -0.269 0.000 1.218 537 E HN 0.661 nan 8.360 nan 0.000 0.425 538 Y N -1.123 119.138 120.300 -0.064 0.000 2.725 538 Y HA 0.638 5.195 4.550 0.012 0.000 0.333 538 Y C -0.755 175.314 175.900 0.282 0.000 1.242 538 Y CA -1.017 57.069 58.100 -0.023 0.000 1.059 538 Y CB 0.741 39.046 38.460 -0.258 0.000 1.306 538 Y HN 0.660 nan 8.280 nan 0.000 0.454 539 A N 1.869 124.728 122.820 0.066 0.000 2.203 539 A HA -0.277 4.049 4.320 0.010 0.000 0.279 539 A C -0.248 177.468 177.584 0.219 0.000 1.396 539 A CA 1.166 53.254 52.037 0.084 0.000 0.747 539 A CB -2.411 16.563 19.000 -0.043 0.000 1.151 539 A HN 1.029 nan 8.150 nan 0.000 0.345 540 H N 0.802 120.024 119.070 0.253 0.000 3.226 540 H HA 0.209 4.771 4.556 0.010 0.000 0.260 540 H C 1.235 176.619 175.328 0.093 0.000 0.967 540 H CA 0.787 56.983 56.048 0.246 0.000 1.435 540 H CB 0.397 30.191 29.762 0.053 0.000 1.533 540 H HN 0.770 nan 8.280 nan 0.000 0.525 541 A N 6.294 129.028 122.820 -0.144 0.000 2.416 541 A HA 0.016 4.343 4.320 0.010 0.000 0.252 541 A C 1.069 178.517 177.584 -0.227 0.000 1.353 541 A CA -0.343 51.588 52.037 -0.176 0.000 0.996 541 A CB -0.623 18.264 19.000 -0.188 0.000 0.961 541 A HN 0.810 nan 8.150 nan 0.000 0.523 542 M N 1.454 120.894 119.600 -0.266 0.000 2.429 542 M HA 0.392 4.878 4.480 0.010 0.000 0.334 542 M C 1.015 177.183 176.300 -0.219 0.000 1.560 542 M CA 1.295 56.463 55.300 -0.220 0.000 1.291 542 M CB -0.669 31.892 32.600 -0.066 0.000 1.754 542 M HN 0.785 nan 8.290 nan 0.000 0.456 543 G N 4.220 112.846 108.800 -0.290 0.000 2.528 543 G HA2 -0.336 3.631 3.960 0.010 0.000 0.262 543 G HA3 -0.336 3.631 3.960 0.010 0.000 0.262 543 G C -0.240 174.146 174.900 -0.857 0.000 1.200 543 G CA 0.042 44.779 45.100 -0.605 0.000 0.951 543 G HN 0.821 nan 8.290 nan 0.000 0.566 544 N N 1.336 119.388 118.700 -1.080 0.000 2.549 544 N HA 0.508 5.254 4.740 0.010 0.000 0.267 544 N C -0.002 175.254 175.510 -0.423 0.000 1.182 544 N CA 1.090 53.670 53.050 -0.784 0.000 1.019 544 N CB 0.352 38.392 38.487 -0.745 0.000 1.380 544 N HN 0.815 nan 8.380 nan 0.000 0.505 545 S N 1.918 117.452 115.700 -0.277 0.000 2.903 545 S HA 0.628 5.104 4.470 0.010 0.000 0.314 545 S C -0.052 174.484 174.600 -0.107 0.000 1.177 545 S CA -0.373 57.724 58.200 -0.171 0.000 0.859 545 S CB 0.222 63.345 63.200 -0.130 0.000 1.265 545 S HN 0.368 nan 8.310 nan 0.000 0.584 546 L N 0.063 121.260 121.223 -0.043 0.000 4.793 546 L HA -0.055 4.291 4.340 0.010 0.000 0.404 546 L C 0.513 177.423 176.870 0.068 0.000 1.022 546 L CA 0.854 55.698 54.840 0.005 0.000 1.242 546 L CB -1.721 40.266 42.059 -0.121 0.000 2.049 546 L HN 0.729 nan 8.230 nan 0.000 0.637 547 G N -0.837 107.967 108.800 0.008 0.000 2.365 547 G HA2 0.472 4.438 3.960 0.010 0.000 0.249 547 G HA3 0.472 4.438 3.960 0.010 0.000 0.249 547 G C 1.234 176.162 174.900 0.047 0.000 1.288 547 G CA 0.168 45.244 45.100 -0.039 0.000 0.887 547 G HN 1.361 nan 8.290 nan 0.000 0.524 548 G N 1.640 110.455 108.800 0.026 0.000 2.176 548 G HA2 -0.330 3.636 3.960 0.010 0.000 0.253 548 G HA3 -0.330 3.636 3.960 0.010 0.000 0.253 548 G C 1.030 176.102 174.900 0.285 0.000 0.979 548 G CA 0.799 45.975 45.100 0.127 0.000 0.641 548 G HN 0.814 nan 8.290 nan 0.000 0.530 549 F N 1.849 121.912 119.950 0.189 0.000 2.091 549 F HA 0.060 4.594 4.527 0.011 0.000 0.299 549 F C 2.696 178.706 175.800 0.349 0.000 1.103 549 F CA 2.748 60.930 58.000 0.304 0.000 1.228 549 F CB -0.443 38.672 39.000 0.192 0.000 0.984 549 F HN 0.353 nan 8.300 nan 0.000 0.477 550 A N -0.351 122.628 122.820 0.266 0.000 2.019 550 A HA -0.238 4.089 4.320 0.010 0.000 0.219 550 A C 2.263 179.875 177.584 0.047 0.000 1.164 550 A CA 1.736 53.866 52.037 0.155 0.000 0.644 550 A CB -0.829 18.267 19.000 0.159 0.000 0.805 550 A HN 0.487 nan 8.150 nan 0.000 0.449 551 K N -1.564 118.852 120.400 0.026 0.000 2.057 551 K HA -0.187 4.139 4.320 0.010 0.000 0.207 551 K C 1.707 178.115 176.600 -0.320 0.000 1.049 551 K CA 1.702 57.927 56.287 -0.103 0.000 0.931 551 K CB -0.339 32.103 32.500 -0.096 0.000 0.714 551 K HN 0.545 nan 8.250 nan 0.000 0.440 552 Y N -0.803 119.241 120.300 -0.426 0.000 2.181 552 Y HA -0.223 4.333 4.550 0.010 0.000 0.288 552 Y C 1.949 176.925 175.900 -1.540 0.000 1.146 552 Y CA 1.561 59.069 58.100 -0.986 0.000 1.164 552 Y CB -0.256 37.565 38.460 -1.065 0.000 0.982 552 Y HN 0.183 nan 8.280 nan 0.000 0.515 553 W N 0.038 120.909 121.300 -0.715 0.000 2.363 553 W HA -0.204 4.463 4.660 0.012 0.000 0.296 553 W C 2.639 178.979 176.519 -0.297 0.000 1.212 553 W CA 1.570 58.608 57.345 -0.512 0.000 1.260 553 W CB -0.652 28.599 29.460 -0.349 0.000 1.131 553 W HN 0.041 nan 8.180 nan 0.000 0.530 554 Q N 0.835 120.563 119.800 -0.120 0.000 2.084 554 Q HA -0.191 4.155 4.340 0.010 0.000 0.202 554 Q C 2.159 178.101 176.000 -0.097 0.000 0.978 554 Q CA 2.116 57.881 55.803 -0.062 0.000 0.844 554 Q CB -0.546 28.164 28.738 -0.048 0.000 0.898 554 Q HN 0.277 nan 8.270 nan 0.000 0.426 555 A N 0.038 122.705 122.820 -0.255 0.000 1.898 555 A HA -0.094 4.232 4.320 0.010 0.000 0.216 555 A C 2.037 179.580 177.584 -0.067 0.000 1.181 555 A CA 0.981 52.886 52.037 -0.221 0.000 0.620 555 A CB -1.032 17.721 19.000 -0.411 0.000 0.819 555 A HN 0.481 nan 8.150 nan 0.000 0.442 556 F N -0.295 119.471 119.950 -0.308 0.000 2.126 556 F HA -0.224 4.309 4.527 0.010 0.000 0.299 556 F C 2.771 178.469 175.800 -0.170 0.000 1.096 556 F CA 1.147 58.933 58.000 -0.356 0.000 1.255 556 F CB -0.157 38.414 39.000 -0.715 0.000 0.997 556 F HN 0.170 nan 8.300 nan 0.000 0.479 557 R N -0.029 120.529 120.500 0.096 0.000 2.115 557 R HA -0.154 4.192 4.340 0.010 0.000 0.226 557 R C 2.076 178.421 176.300 0.075 0.000 1.100 557 R CA 1.067 57.211 56.100 0.073 0.000 0.980 557 R CB -0.368 29.970 30.300 0.063 0.000 0.875 557 R HN 0.388 nan 8.270 nan 0.000 0.445 558 Q N -0.332 119.545 119.800 0.128 0.000 2.212 558 Q HA -0.037 4.309 4.340 0.010 0.000 0.199 558 Q C -0.499 175.586 176.000 0.141 0.000 0.950 558 Q CA 0.805 56.691 55.803 0.138 0.000 0.863 558 Q CB 0.445 29.308 28.738 0.210 0.000 0.944 558 Q HN 0.168 nan 8.270 nan 0.000 0.465 559 Y N 0.119 120.403 120.300 -0.026 0.000 2.342 559 Y HA 0.289 4.845 4.550 0.010 0.000 0.338 559 Y C -1.796 174.078 175.900 -0.043 0.000 0.965 559 Y CA -2.942 55.141 58.100 -0.029 0.000 1.159 559 Y CB 1.490 39.938 38.460 -0.021 0.000 1.157 559 Y HN 0.091 nan 8.280 nan 0.000 0.486 560 P HA -0.191 nan 4.420 nan 0.000 0.216 560 P C 0.958 178.258 177.300 0.000 0.000 1.157 560 P CA 1.926 65.027 63.100 0.002 0.000 0.880 560 P CB 0.304 31.987 31.700 -0.027 0.000 0.791 561 R N -1.181 119.339 120.500 0.032 0.000 2.323 561 R HA 0.126 4.473 4.340 0.010 0.000 0.198 561 R C 0.370 176.647 176.300 -0.039 0.000 0.988 561 R CA 0.051 56.149 56.100 -0.003 0.000 1.041 561 R CB -0.479 29.827 30.300 0.011 0.000 0.926 561 R HN 0.243 nan 8.270 nan 0.000 0.476 562 L N 1.908 123.117 121.223 -0.022 0.000 2.288 562 L HA 0.161 4.507 4.340 0.010 0.000 0.283 562 L C 0.444 177.145 176.870 -0.281 0.000 1.072 562 L CA 0.056 54.828 54.840 -0.113 0.000 0.862 562 L CB 1.138 43.204 42.059 0.012 0.000 1.245 562 L HN 0.085 nan 8.230 nan 0.000 0.432 563 Q N 2.631 122.203 119.800 -0.380 0.000 2.211 563 Q HA 0.318 4.665 4.340 0.010 0.000 0.231 563 Q C 0.930 176.501 176.000 -0.715 0.000 0.865 563 Q CA 0.133 55.677 55.803 -0.433 0.000 0.997 563 Q CB 0.950 29.530 28.738 -0.263 0.000 1.101 563 Q HN 0.936 nan 8.270 nan 0.000 0.468 564 G N -0.170 107.815 108.800 -1.357 0.000 2.464 564 G HA2 0.066 4.033 3.960 0.010 0.000 0.216 564 G HA3 0.066 4.033 3.960 0.010 0.000 0.216 564 G C -0.178 173.837 174.900 -1.476 0.000 1.186 564 G CA -0.726 43.091 45.100 -2.138 0.000 1.010 564 G HN 0.656 nan 8.290 nan 0.000 0.585 565 G N -2.224 106.009 108.800 -0.945 0.000 2.349 565 G HA2 0.633 4.599 3.960 0.010 0.000 0.294 565 G HA3 0.633 4.599 3.960 0.010 0.000 0.294 565 G C -1.757 173.074 174.900 -0.115 0.000 1.380 565 G CA -0.159 44.643 45.100 -0.498 0.000 0.811 565 G HN 1.190 nan 8.290 nan 0.000 0.519 566 F N 0.789 120.967 119.950 0.379 0.000 2.375 566 F HA 0.533 5.065 4.527 0.009 0.000 0.361 566 F C 0.796 176.902 175.800 0.510 0.000 1.117 566 F CA -0.849 57.425 58.000 0.457 0.000 1.037 566 F CB 1.808 40.968 39.000 0.267 0.000 1.192 566 F HN 0.243 nan 8.300 nan 0.000 0.452 567 V N 3.115 123.361 119.914 0.553 0.000 2.872 567 V HA -0.146 3.980 4.120 0.010 0.000 0.307 567 V C -0.203 176.053 176.094 0.271 0.000 1.072 567 V CA -0.265 62.143 62.300 0.180 0.000 1.148 567 V CB 0.751 32.681 31.823 0.179 0.000 0.954 567 V HN 0.802 nan 8.190 nan 0.000 0.490 568 W N 6.396 127.770 121.300 0.123 0.000 2.299 568 W HA 0.449 5.115 4.660 0.010 0.000 0.319 568 W C -0.926 175.589 176.519 -0.007 0.000 1.008 568 W CA -0.683 56.762 57.345 0.166 0.000 1.384 568 W CB 1.237 30.945 29.460 0.414 0.000 1.220 568 W HN 0.936 nan 8.180 nan 0.000 0.402 569 D N 2.195 122.268 120.400 -0.544 0.000 2.895 569 D HA 0.107 4.753 4.640 0.010 0.000 0.320 569 D C 0.813 176.886 176.300 -0.377 0.000 1.249 569 D CA -0.558 53.025 54.000 -0.695 0.000 0.997 569 D CB 0.212 40.080 40.800 -1.554 0.000 1.430 569 D HN 0.362 nan 8.370 nan 0.000 0.558 570 W N 0.317 121.305 121.300 -0.520 0.000 2.352 570 W HA 0.077 4.743 4.660 0.011 0.000 0.322 570 W C 0.078 176.370 176.519 -0.379 0.000 1.208 570 W CA 1.486 58.580 57.345 -0.419 0.000 1.286 570 W CB 0.240 29.481 29.460 -0.366 0.000 1.167 570 W HN 0.171 nan 8.180 nan 0.000 0.469 571 V N 2.213 121.842 119.914 -0.475 0.000 2.823 571 V HA 0.255 4.381 4.120 0.010 0.000 0.312 571 V C -0.926 174.949 176.094 -0.365 0.000 1.072 571 V CA -0.854 61.128 62.300 -0.530 0.000 0.937 571 V CB 1.608 33.240 31.823 -0.318 0.000 1.013 571 V HN -0.084 nan 8.190 nan 0.000 0.430 572 D N 3.927 124.122 120.400 -0.342 0.000 2.458 572 D HA 0.111 4.757 4.640 0.010 0.000 0.243 572 D C 0.322 176.471 176.300 -0.253 0.000 1.146 572 D CA 0.581 54.446 54.000 -0.224 0.000 0.877 572 D CB 0.993 41.761 40.800 -0.053 0.000 1.176 572 D HN 0.617 nan 8.370 nan 0.000 0.461 573 Q N 1.076 120.647 119.800 -0.381 0.000 2.945 573 Q HA 0.083 4.429 4.340 0.010 0.000 0.323 573 Q C -0.061 175.871 176.000 -0.113 0.000 1.188 573 Q CA -0.224 55.145 55.803 -0.723 0.000 0.929 573 Q CB -0.081 28.306 28.738 -0.586 0.000 1.531 573 Q HN 0.351 nan 8.270 nan 0.000 0.444 574 S N -0.283 115.480 115.700 0.105 0.000 2.585 574 S HA 0.556 5.032 4.470 0.010 0.000 0.277 574 S C -0.110 174.665 174.600 0.292 0.000 1.241 574 S CA -0.783 57.594 58.200 0.295 0.000 1.041 574 S CB 1.387 64.746 63.200 0.265 0.000 0.987 574 S HN 0.306 nan 8.310 nan 0.000 0.512 575 L N 2.561 123.891 121.223 0.179 0.000 2.329 575 L HA 0.476 4.822 4.340 0.010 0.000 0.279 575 L C -0.287 176.498 176.870 -0.142 0.000 1.014 575 L CA -1.195 53.628 54.840 -0.028 0.000 0.814 575 L CB 1.284 43.234 42.059 -0.182 0.000 1.257 575 L HN 0.547 nan 8.230 nan 0.000 0.424 576 I N 2.994 123.423 120.570 -0.235 0.000 2.588 576 I HA 0.173 4.349 4.170 0.010 0.000 0.283 576 I C 0.301 176.002 176.117 -0.693 0.000 1.119 576 I CA 0.323 61.355 61.300 -0.448 0.000 1.419 576 I CB 0.824 38.585 38.000 -0.398 0.000 1.394 576 I HN 0.616 nan 8.210 nan 0.000 0.562 577 K N 5.021 124.701 120.400 -1.201 0.000 2.378 577 K HA 0.571 4.898 4.320 0.010 0.000 0.244 577 K C -1.595 174.059 176.600 -1.577 0.000 1.039 577 K CA -0.654 54.837 56.287 -1.326 0.000 0.863 577 K CB 2.222 33.725 32.500 -1.662 0.000 1.326 577 K HN 0.218 nan 8.250 nan 0.000 0.460 578 Y N 0.511 120.571 120.300 -0.401 0.000 2.446 578 Y HA 0.198 4.754 4.550 0.010 0.000 0.345 578 Y C -0.130 175.893 175.900 0.205 0.000 0.984 578 Y CA -1.261 56.804 58.100 -0.058 0.000 1.058 578 Y CB 1.259 39.695 38.460 -0.040 0.000 1.220 578 Y HN 0.629 nan 8.280 nan 0.000 0.455 579 D N 0.117 120.783 120.400 0.443 0.000 2.388 579 D HA 0.094 4.740 4.640 0.010 0.000 0.254 579 D C 0.797 177.213 176.300 0.193 0.000 1.111 579 D CA -0.471 53.716 54.000 0.311 0.000 0.993 579 D CB 0.810 41.732 40.800 0.203 0.000 1.118 579 D HN 0.425 nan 8.370 nan 0.000 0.502 580 E N -0.349 119.921 120.200 0.117 0.000 2.253 580 E HA -0.179 4.177 4.350 0.010 0.000 0.202 580 E C 0.308 176.944 176.600 0.061 0.000 1.014 580 E CA 0.994 57.436 56.400 0.071 0.000 0.823 580 E CB -0.224 29.500 29.700 0.040 0.000 0.736 580 E HN 0.548 nan 8.360 nan 0.000 0.478 581 N N -0.737 118.009 118.700 0.076 0.000 2.328 581 N HA 0.137 4.884 4.740 0.010 0.000 0.247 581 N C 0.798 176.356 175.510 0.081 0.000 1.165 581 N CA 0.511 53.598 53.050 0.062 0.000 0.873 581 N CB 1.003 39.522 38.487 0.052 0.000 1.125 581 N HN 0.076 nan 8.380 nan 0.000 0.513 582 G N 1.546 110.410 108.800 0.107 0.000 2.233 582 G HA2 -0.289 3.677 3.960 0.010 0.000 0.270 582 G HA3 -0.289 3.677 3.960 0.010 0.000 0.270 582 G C -0.352 174.698 174.900 0.249 0.000 1.011 582 G CA -0.022 45.154 45.100 0.128 0.000 0.762 582 G HN 0.441 nan 8.290 nan 0.000 0.511 583 N N 1.422 120.269 118.700 0.245 0.000 2.455 583 N HA 0.416 5.162 4.740 0.010 0.000 0.280 583 N C -2.606 173.059 175.510 0.259 0.000 1.055 583 N CA -1.273 51.917 53.050 0.232 0.000 0.961 583 N CB 1.882 40.462 38.487 0.154 0.000 1.121 583 N HN 0.153 nan 8.380 nan 0.000 0.476 584 P HA 0.246 nan 4.420 nan 0.000 0.275 584 P C -0.461 176.782 177.300 -0.096 0.000 1.228 584 P CA -0.233 62.710 63.100 -0.263 0.000 0.786 584 P CB 0.627 32.197 31.700 -0.217 0.000 0.927 585 W N -0.668 120.383 121.300 -0.415 0.000 3.118 585 W HA 0.411 5.077 4.660 0.010 0.000 0.328 585 W C -1.425 174.909 176.519 -0.309 0.000 1.239 585 W CA -1.051 56.076 57.345 -0.363 0.000 1.176 585 W CB 0.276 29.340 29.460 -0.661 0.000 1.433 585 W HN 0.098 nan 8.180 nan 0.000 0.562 586 S N 1.508 117.275 115.700 0.112 0.000 2.474 586 S HA 0.556 5.032 4.470 0.010 0.000 0.276 586 S C 0.192 174.957 174.600 0.276 0.000 1.227 586 S CA -0.185 58.082 58.200 0.111 0.000 1.050 586 S CB 0.687 64.013 63.200 0.211 0.000 0.939 586 S HN 0.600 nan 8.310 nan 0.000 0.490 587 A N 3.151 125.986 122.820 0.025 0.000 2.320 587 A HA 0.880 5.207 4.320 0.010 0.000 0.334 587 A C -0.685 177.137 177.584 0.397 0.000 1.147 587 A CA -0.717 51.367 52.037 0.077 0.000 0.820 587 A CB 0.660 19.422 19.000 -0.397 0.000 1.218 587 A HN 0.847 nan 8.150 nan 0.000 0.482 588 Y N -0.806 119.810 120.300 0.527 0.000 2.876 588 Y HA 0.763 5.320 4.550 0.011 0.000 0.317 588 Y C 0.613 176.867 175.900 0.590 0.000 1.369 588 Y CA -1.379 57.028 58.100 0.511 0.000 1.101 588 Y CB -0.036 38.566 38.460 0.237 0.000 1.346 588 Y HN 0.970 nan 8.280 nan 0.000 0.505 589 G N -0.032 109.166 108.800 0.664 0.000 2.257 589 G HA2 0.354 4.320 3.960 0.010 0.000 0.235 589 G HA3 0.354 4.320 3.960 0.010 0.000 0.235 589 G C 1.002 176.215 174.900 0.522 0.000 1.225 589 G CA 0.548 45.986 45.100 0.563 0.000 0.878 589 G HN 2.029 nan 8.290 nan 0.000 0.505 590 G N 2.049 111.129 108.800 0.468 0.000 2.253 590 G HA2 -0.290 3.676 3.960 0.010 0.000 0.251 590 G HA3 -0.290 3.676 3.960 0.010 0.000 0.251 590 G C 0.914 175.987 174.900 0.289 0.000 0.998 590 G CA 0.719 46.023 45.100 0.340 0.000 0.621 590 G HN 0.665 nan 8.290 nan 0.000 0.524 591 D N -0.239 120.333 120.400 0.285 0.000 2.378 591 D HA 0.156 4.802 4.640 0.010 0.000 0.227 591 D C 1.175 177.273 176.300 -0.338 0.000 1.012 591 D CA 0.562 54.549 54.000 -0.022 0.000 0.905 591 D CB -0.201 40.523 40.800 -0.126 0.000 0.895 591 D HN 0.501 nan 8.370 nan 0.000 0.532 592 F N -1.237 118.830 119.950 0.195 0.000 2.775 592 F HA 0.310 4.843 4.527 0.010 0.000 0.313 592 F C 1.716 177.600 175.800 0.139 0.000 1.121 592 F CA -0.258 57.821 58.000 0.132 0.000 1.206 592 F CB 0.897 39.967 39.000 0.118 0.000 1.052 592 F HN -0.058 nan 8.300 nan 0.000 0.524 593 G N 0.489 109.443 108.800 0.257 0.000 2.179 593 G HA2 -0.285 3.682 3.960 0.010 0.000 0.260 593 G HA3 -0.285 3.682 3.960 0.010 0.000 0.260 593 G C -0.189 174.844 174.900 0.223 0.000 0.977 593 G CA 0.167 45.386 45.100 0.199 0.000 0.641 593 G HN 0.404 nan 8.290 nan 0.000 0.533 594 D N 0.535 121.117 120.400 0.303 0.000 2.417 594 D HA 0.498 5.145 4.640 0.010 0.000 0.250 594 D C 0.154 176.580 176.300 0.210 0.000 1.166 594 D CA 0.991 55.163 54.000 0.287 0.000 0.881 594 D CB 1.458 42.499 40.800 0.401 0.000 1.164 594 D HN 0.474 nan 8.370 nan 0.000 0.467 595 T N 1.106 115.752 114.554 0.153 0.000 3.047 595 T HA 0.403 4.759 4.350 0.010 0.000 0.340 595 T C -2.782 171.957 174.700 0.064 0.000 1.421 595 T CA -1.144 61.014 62.100 0.097 0.000 1.090 595 T CB 0.956 69.880 68.868 0.093 0.000 1.292 595 T HN 0.253 nan 8.240 nan 0.000 0.480 596 P HA 0.445 nan 4.420 nan 0.000 0.271 596 P C -0.871 176.417 177.300 -0.019 0.000 1.233 596 P CA -0.191 62.906 63.100 -0.005 0.000 0.789 596 P CB 0.248 31.919 31.700 -0.048 0.000 0.951 597 N N -1.661 117.020 118.700 -0.031 0.000 2.732 597 N HA 0.306 5.052 4.740 0.010 0.000 0.259 597 N C -1.169 174.279 175.510 -0.103 0.000 1.402 597 N CA -0.765 52.246 53.050 -0.065 0.000 0.829 597 N CB 0.904 39.442 38.487 0.086 0.000 1.495 597 N HN 0.084 nan 8.380 nan 0.000 0.511 598 D N -0.222 120.074 120.400 -0.173 0.000 2.670 598 D HA 0.232 4.879 4.640 0.010 0.000 0.255 598 D C 0.129 176.562 176.300 0.222 0.000 1.286 598 D CA -0.158 53.790 54.000 -0.086 0.000 0.830 598 D CB 0.229 40.853 40.800 -0.293 0.000 1.065 598 D HN 0.604 nan 8.370 nan 0.000 0.486 599 R N 0.762 121.426 120.500 0.274 0.000 3.587 599 R HA -0.296 4.050 4.340 0.010 0.000 0.556 599 R C 1.399 177.796 176.300 0.162 0.000 0.241 599 R CA 1.750 58.050 56.100 0.332 0.000 1.724 599 R CB -1.423 28.977 30.300 0.167 0.000 0.885 599 R HN 0.186 nan 8.270 nan 0.000 0.613 600 Q N 1.566 121.130 119.800 -0.394 0.000 2.466 600 Q HA -0.060 4.287 4.340 0.010 0.000 0.210 600 Q C 1.353 177.221 176.000 -0.221 0.000 0.961 600 Q CA 1.224 56.630 55.803 -0.662 0.000 0.953 600 Q CB -0.011 28.155 28.738 -0.953 0.000 1.011 600 Q HN 0.596 nan 8.270 nan 0.000 0.516 601 F N 1.894 121.776 119.950 -0.114 0.000 2.699 601 F HA -0.062 4.471 4.527 0.010 0.000 0.298 601 F C 1.690 177.477 175.800 -0.021 0.000 1.154 601 F CA 0.561 58.568 58.000 0.012 0.000 1.457 601 F CB 0.132 39.175 39.000 0.072 0.000 1.106 601 F HN 0.392 nan 8.300 nan 0.000 0.585 602 C N -0.802 118.229 119.300 -0.448 0.000 2.626 602 C HA 0.332 4.799 4.460 0.010 0.000 0.266 602 C C 0.841 175.578 174.990 -0.422 0.000 1.317 602 C CA -0.549 58.006 59.018 -0.772 0.000 1.716 602 C CB -1.788 24.942 27.740 -1.683 0.000 1.819 602 C HN 0.231 nan 8.230 nan 0.000 0.578 603 M N 2.732 122.147 119.600 -0.309 0.000 2.060 603 M HA 0.286 4.772 4.480 0.010 0.000 0.342 603 M C -0.485 175.673 176.300 -0.237 0.000 1.031 603 M CA 0.343 55.516 55.300 -0.212 0.000 0.981 603 M CB 0.110 32.643 32.600 -0.112 0.000 1.376 603 M HN 0.415 nan 8.290 nan 0.000 0.397 604 N N 0.669 119.202 118.700 -0.278 0.000 2.217 604 N HA 0.180 4.927 4.740 0.010 0.000 0.239 604 N C 0.356 175.639 175.510 -0.380 0.000 1.330 604 N CA -0.546 52.284 53.050 -0.367 0.000 0.838 604 N CB 1.183 39.433 38.487 -0.395 0.000 1.287 604 N HN 0.619 nan 8.380 nan 0.000 0.498 605 G N 0.098 108.672 108.800 -0.377 0.000 2.504 605 G HA2 0.368 4.334 3.960 0.010 0.000 0.288 605 G HA3 0.368 4.334 3.960 0.010 0.000 0.288 605 G C 0.675 175.229 174.900 -0.576 0.000 1.182 605 G CA -0.537 44.260 45.100 -0.505 0.000 0.894 605 G HN 0.095 nan 8.290 nan 0.000 0.521 606 L N -0.146 120.684 121.223 -0.655 0.000 2.418 606 L HA 0.139 4.485 4.340 0.010 0.000 0.218 606 L C 0.908 177.218 176.870 -0.933 0.000 1.125 606 L CA 0.301 54.770 54.840 -0.619 0.000 0.835 606 L CB -0.290 41.492 42.059 -0.462 0.000 0.953 606 L HN 0.395 nan 8.230 nan 0.000 0.454 607 V N -4.979 114.208 119.914 -1.212 0.000 3.001 607 V HA 0.486 4.613 4.120 0.010 0.000 0.314 607 V C -0.345 175.101 176.094 -1.080 0.000 1.099 607 V CA -1.243 60.394 62.300 -1.104 0.000 0.989 607 V CB 1.702 32.964 31.823 -0.936 0.000 1.040 607 V HN -0.141 nan 8.190 nan 0.000 0.434 608 F N 1.481 121.071 119.950 -0.600 0.000 2.403 608 F HA 0.592 5.126 4.527 0.011 0.000 0.320 608 F C 1.937 177.592 175.800 -0.242 0.000 1.176 608 F CA 0.509 58.344 58.000 -0.275 0.000 1.206 608 F CB 1.153 40.114 39.000 -0.066 0.000 1.235 608 F HN 0.801 nan 8.300 nan 0.000 0.565 609 A N 0.944 123.817 122.820 0.088 0.000 1.958 609 A HA -0.263 4.064 4.320 0.010 0.000 0.221 609 A C 1.722 179.266 177.584 -0.066 0.000 1.178 609 A CA 2.071 54.124 52.037 0.026 0.000 0.642 609 A CB -0.976 18.098 19.000 0.122 0.000 0.816 609 A HN 0.821 nan 8.150 nan 0.000 0.453 610 D N -2.947 117.430 120.400 -0.037 0.000 2.336 610 D HA 0.073 4.719 4.640 0.010 0.000 0.229 610 D C 0.704 176.974 176.300 -0.050 0.000 1.061 610 D CA 0.251 54.203 54.000 -0.080 0.000 0.875 610 D CB -0.146 40.611 40.800 -0.072 0.000 0.904 610 D HN 0.239 nan 8.370 nan 0.000 0.525 611 R N -1.960 118.507 120.500 -0.055 0.000 3.804 611 R HA -0.120 4.227 4.340 0.010 0.000 0.459 611 R C -0.263 176.014 176.300 -0.038 0.000 1.009 611 R CA 1.045 57.103 56.100 -0.071 0.000 1.210 611 R CB -3.166 27.136 30.300 0.002 0.000 1.860 611 R HN 0.253 nan 8.270 nan 0.000 0.526 612 T N 2.410 116.985 114.554 0.036 0.000 2.907 612 T HA 0.394 4.750 4.350 0.010 0.000 0.298 612 T C -2.349 172.430 174.700 0.131 0.000 1.017 612 T CA -0.874 61.283 62.100 0.095 0.000 1.118 612 T CB 1.122 70.045 68.868 0.092 0.000 0.948 612 T HN -0.095 nan 8.240 nan 0.000 0.531 613 P HA 0.251 nan 4.420 nan 0.000 0.277 613 P C -0.315 176.995 177.300 0.017 0.000 1.240 613 P CA -0.391 62.667 63.100 -0.070 0.000 0.798 613 P CB 0.480 32.153 31.700 -0.045 0.000 0.979 614 H N 2.054 120.925 119.070 -0.331 0.000 2.505 614 H HA 0.131 4.693 4.556 0.010 0.000 0.355 614 H C -1.236 173.976 175.328 -0.193 0.000 1.179 614 H CA -1.870 53.946 56.048 -0.387 0.000 1.343 614 H CB 0.403 29.894 29.762 -0.452 0.000 1.501 614 H HN 0.336 nan 8.280 nan 0.000 0.569 615 P HA -0.162 nan 4.420 nan 0.000 0.218 615 P C 1.215 178.499 177.300 -0.026 0.000 1.149 615 P CA 1.423 64.502 63.100 -0.036 0.000 0.817 615 P CB -0.014 31.663 31.700 -0.039 0.000 0.785 616 A N -0.129 122.676 122.820 -0.025 0.000 1.986 616 A HA -0.222 4.104 4.320 0.010 0.000 0.220 616 A C 2.116 179.638 177.584 -0.104 0.000 1.171 616 A CA 1.580 53.569 52.037 -0.079 0.000 0.640 616 A CB -1.722 17.209 19.000 -0.114 0.000 0.811 616 A HN 0.169 nan 8.150 nan 0.000 0.451 617 L N -0.429 120.749 121.223 -0.076 0.000 2.051 617 L HA -0.191 4.155 4.340 0.010 0.000 0.214 617 L C 2.550 179.448 176.870 0.047 0.000 1.076 617 L CA 2.859 57.690 54.840 -0.014 0.000 0.758 617 L CB -1.102 40.943 42.059 -0.022 0.000 0.890 617 L HN 0.421 nan 8.230 nan 0.000 0.433 618 T N -1.710 112.873 114.554 0.050 0.000 2.788 618 T HA -0.214 4.143 4.350 0.010 0.000 0.268 618 T C 1.814 176.598 174.700 0.140 0.000 1.044 618 T CA 1.471 63.652 62.100 0.135 0.000 1.139 618 T CB -0.151 68.777 68.868 0.100 0.000 0.867 618 T HN 0.495 nan 8.240 nan 0.000 0.454 619 E N 0.727 120.947 120.200 0.032 0.000 2.077 619 E HA 0.025 4.381 4.350 0.010 0.000 0.193 619 E C 2.155 178.729 176.600 -0.042 0.000 0.989 619 E CA 1.431 57.847 56.400 0.027 0.000 0.800 619 E CB -0.608 29.076 29.700 -0.027 0.000 0.746 619 E HN 0.541 nan 8.360 nan 0.000 0.452 620 A N 0.849 123.521 122.820 -0.247 0.000 1.873 620 A HA -0.192 4.134 4.320 0.010 0.000 0.215 620 A C 2.167 179.629 177.584 -0.202 0.000 1.186 620 A CA 1.777 53.589 52.037 -0.376 0.000 0.616 620 A CB -0.586 18.173 19.000 -0.402 0.000 0.823 620 A HN 0.231 nan 8.150 nan 0.000 0.442 621 K N -1.205 119.169 120.400 -0.043 0.000 2.044 621 K HA -0.294 4.032 4.320 0.010 0.000 0.210 621 K C 2.066 178.575 176.600 -0.152 0.000 1.049 621 K CA 2.071 58.349 56.287 -0.016 0.000 0.927 621 K CB -0.351 32.281 32.500 0.219 0.000 0.713 621 K HN 0.668 nan 8.250 nan 0.000 0.443 622 H N 0.542 119.446 119.070 -0.277 0.000 2.293 622 H HA -0.071 4.492 4.556 0.011 0.000 0.300 622 H C 2.066 177.130 175.328 -0.441 0.000 1.082 622 H CA 1.963 57.671 56.048 -0.567 0.000 1.308 622 H CB -0.026 29.434 29.762 -0.504 0.000 1.375 622 H HN 0.212 nan 8.280 nan 0.000 0.495 623 Q N 0.234 119.811 119.800 -0.373 0.000 2.181 623 Q HA -0.140 4.206 4.340 0.010 0.000 0.205 623 Q C 1.730 177.222 176.000 -0.846 0.000 0.980 623 Q CA 1.493 57.000 55.803 -0.494 0.000 0.862 623 Q CB -0.088 28.526 28.738 -0.207 0.000 0.905 623 Q HN 0.720 nan 8.270 nan 0.000 0.429 624 Q N 0.031 119.286 119.800 -0.908 0.000 2.280 624 Q HA 0.079 4.425 4.340 0.010 0.000 0.202 624 Q C -0.088 175.366 176.000 -0.909 0.000 0.903 624 Q CA -0.235 54.881 55.803 -1.145 0.000 0.948 624 Q CB 0.326 28.382 28.738 -1.137 0.000 1.058 624 Q HN 0.363 nan 8.270 nan 0.000 0.493 625 Q N -0.374 119.044 119.800 -0.636 0.000 2.369 625 Q HA -0.073 4.273 4.340 0.010 0.000 0.295 625 Q C -0.130 175.539 176.000 -0.551 0.000 1.075 625 Q CA 0.457 56.011 55.803 -0.416 0.000 0.941 625 Q CB 0.428 29.004 28.738 -0.270 0.000 1.260 625 Q HN 0.328 nan 8.270 nan 0.000 0.417 626 F N 0.436 120.204 119.950 -0.304 0.000 2.776 626 F HA 0.182 4.715 4.527 0.010 0.000 0.300 626 F C -0.098 175.238 175.800 -0.775 0.000 1.116 626 F CA 0.001 57.604 58.000 -0.661 0.000 1.375 626 F CB 0.530 38.871 39.000 -1.098 0.000 1.109 626 F HN 0.310 nan 8.300 nan 0.000 0.585 627 F N 0.333 120.231 119.950 -0.088 0.000 2.520 627 F HA 0.486 5.019 4.527 0.011 0.000 0.322 627 F C -0.185 175.311 175.800 -0.507 0.000 1.103 627 F CA -1.190 56.651 58.000 -0.266 0.000 0.926 627 F CB 1.224 40.084 39.000 -0.234 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.170 122.718 119.800 -0.420 0.000 2.312 628 Q HA 0.565 4.911 4.340 0.010 0.000 0.263 628 Q C -1.442 174.230 176.000 -0.548 0.000 0.995 628 Q CA -0.591 54.996 55.803 -0.360 0.000 0.853 628 Q CB 2.831 31.483 28.738 -0.144 0.000 1.300 628 Q HN 0.532 nan 8.270 nan 0.000 0.448 629 F N 0.424 120.492 119.950 0.195 0.000 2.551 629 F HA 0.604 5.138 4.527 0.011 0.000 0.316 629 F C 0.294 176.363 175.800 0.448 0.000 1.089 629 F CA -0.848 57.354 58.000 0.338 0.000 0.915 629 F CB 1.902 41.225 39.000 0.537 0.000 1.186 629 F HN 0.178 nan 8.300 nan 0.000 0.456 630 R N 1.558 122.408 120.500 0.583 0.000 2.744 630 R HA 0.751 5.097 4.340 0.010 0.000 0.279 630 R C -1.937 174.423 176.300 0.100 0.000 0.977 630 R CA -1.238 55.112 56.100 0.417 0.000 0.906 630 R CB 2.948 33.373 30.300 0.208 0.000 1.197 630 R HN 0.597 nan 8.270 nan 0.000 0.463 631 L N 0.741 121.836 121.223 -0.212 0.000 2.341 631 L HA 0.574 4.920 4.340 0.010 0.000 0.278 631 L C -1.023 175.652 176.870 -0.325 0.000 1.005 631 L CA 0.070 54.531 54.840 -0.632 0.000 0.818 631 L CB 2.134 43.252 42.059 -1.568 0.000 1.259 631 L HN 0.576 nan 8.230 nan 0.000 0.418 632 S N 4.116 119.663 115.700 -0.255 0.000 2.721 632 S HA 0.684 5.160 4.470 0.010 0.000 0.264 632 S C 0.348 174.851 174.600 -0.161 0.000 1.161 632 S CA 0.250 58.353 58.200 -0.161 0.000 1.113 632 S CB 0.191 63.336 63.200 -0.091 0.000 1.079 632 S HN 1.723 nan 8.310 nan 0.000 0.479 633 G N 4.552 113.257 108.800 -0.159 0.000 2.620 633 G HA2 -0.348 3.619 3.960 0.010 0.000 0.315 633 G HA3 -0.348 3.619 3.960 0.010 0.000 0.315 633 G C 0.464 175.255 174.900 -0.180 0.000 1.179 633 G CA 0.882 45.897 45.100 -0.142 0.000 0.971 633 G HN 0.738 nan 8.290 nan 0.000 0.544 634 Q N 0.815 120.516 119.800 -0.164 0.000 2.194 634 Q HA 0.336 4.682 4.340 0.010 0.000 0.214 634 Q C -0.076 175.797 176.000 -0.210 0.000 0.838 634 Q CA 0.511 56.196 55.803 -0.198 0.000 0.972 634 Q CB 0.574 29.203 28.738 -0.182 0.000 1.131 634 Q HN 0.540 nan 8.270 nan 0.000 0.498 635 T N 0.610 115.054 114.554 -0.183 0.000 2.749 635 T HA 0.458 4.814 4.350 0.010 0.000 0.287 635 T C -0.143 174.454 174.700 -0.172 0.000 0.970 635 T CA -0.350 61.659 62.100 -0.152 0.000 0.980 635 T CB 1.059 69.864 68.868 -0.104 0.000 0.924 635 T HN 0.061 nan 8.240 nan 0.000 0.456 636 I N 2.745 123.235 120.570 -0.134 0.000 2.385 636 I HA 0.306 4.483 4.170 0.010 0.000 0.294 636 I C 0.592 176.736 176.117 0.044 0.000 0.988 636 I CA -0.476 60.782 61.300 -0.071 0.000 1.265 636 I CB 1.149 39.162 38.000 0.021 0.000 1.388 636 I HN 0.590 nan 8.210 nan 0.000 0.480 637 E N 6.513 126.771 120.200 0.097 0.000 2.145 637 E HA 0.465 4.822 4.350 0.010 0.000 0.270 637 E C -1.647 175.044 176.600 0.151 0.000 0.906 637 E CA -0.633 55.825 56.400 0.096 0.000 0.761 637 E CB 1.671 31.406 29.700 0.059 0.000 1.116 637 E HN 0.371 nan 8.360 nan 0.000 0.408 638 V N 3.927 123.903 119.914 0.103 0.000 2.398 638 V HA 0.365 4.491 4.120 0.010 0.000 0.286 638 V C 0.035 176.119 176.094 -0.016 0.000 1.026 638 V CA -0.561 61.737 62.300 -0.003 0.000 0.868 638 V CB 1.585 33.444 31.823 0.060 0.000 0.982 638 V HN 0.710 nan 8.190 nan 0.000 0.443 639 T N 2.992 117.492 114.554 -0.091 0.000 2.856 639 T HA 0.419 4.775 4.350 0.010 0.000 0.283 639 T C -0.158 174.532 174.700 -0.015 0.000 1.008 639 T CA -0.381 61.700 62.100 -0.032 0.000 0.997 639 T CB 1.705 70.546 68.868 -0.045 0.000 0.992 639 T HN 0.701 nan 8.240 nan 0.000 0.454 640 S N 1.312 117.011 115.700 -0.001 0.000 2.462 640 S HA 0.270 4.746 4.470 0.010 0.000 0.294 640 S C 0.483 174.974 174.600 -0.181 0.000 1.144 640 S CA -0.630 57.516 58.200 -0.091 0.000 1.088 640 S CB 0.569 63.792 63.200 0.038 0.000 1.009 640 S HN 0.702 nan 8.310 nan 0.000 0.484 641 E N 3.248 123.246 120.200 -0.337 0.000 2.499 641 E HA 0.105 4.461 4.350 0.010 0.000 0.199 641 E C -0.856 175.563 176.600 -0.301 0.000 1.016 641 E CA -0.127 56.108 56.400 -0.274 0.000 0.933 641 E CB 0.315 29.851 29.700 -0.273 0.000 1.050 641 E HN 0.679 nan 8.360 nan 0.000 0.462 642 Y N 0.454 120.637 120.300 -0.194 0.000 2.336 642 Y HA 0.041 4.597 4.550 0.010 0.000 0.331 642 Y C 1.444 177.185 175.900 -0.265 0.000 1.211 642 Y CA -0.041 57.932 58.100 -0.212 0.000 1.346 642 Y CB 0.855 39.179 38.460 -0.227 0.000 1.271 642 Y HN -0.019 nan 8.280 nan 0.000 0.538 643 L N 1.272 122.337 121.223 -0.264 0.000 2.357 643 L HA 0.053 4.400 4.340 0.010 0.000 0.211 643 L C 0.732 177.184 176.870 -0.697 0.000 1.075 643 L CA 0.736 55.164 54.840 -0.688 0.000 0.830 643 L CB 0.011 41.234 42.059 -1.394 0.000 0.996 643 L HN 0.646 nan 8.230 nan 0.000 0.467 644 F N -0.427 119.544 119.950 0.035 0.000 2.699 644 F HA 0.218 4.750 4.527 0.009 0.000 0.295 644 F C 1.204 176.988 175.800 -0.027 0.000 1.052 644 F CA -0.804 57.186 58.000 -0.016 0.000 1.239 644 F CB 0.367 39.334 39.000 -0.055 0.000 1.018 644 F HN -0.135 nan 8.300 nan 0.000 0.627 645 R N -0.074 120.477 120.500 0.086 0.000 2.720 645 R HA 0.510 4.856 4.340 0.010 0.000 0.272 645 R C -1.162 175.140 176.300 0.003 0.000 0.991 645 R CA -0.744 55.346 56.100 -0.017 0.000 1.010 645 R CB 0.964 31.143 30.300 -0.200 0.000 1.141 645 R HN 0.019 nan 8.270 nan 0.000 0.494 646 H N 0.208 119.255 119.070 -0.038 0.000 2.488 646 H HA 0.136 4.698 4.556 0.010 0.000 0.347 646 H C -0.071 175.272 175.328 0.025 0.000 1.174 646 H CA -0.063 56.000 56.048 0.026 0.000 1.307 646 H CB 1.333 31.118 29.762 0.037 0.000 1.517 646 H HN 0.749 nan 8.280 nan 0.000 0.554 647 S N 1.917 117.594 115.700 -0.039 0.000 4.027 647 S HA -0.048 4.428 4.470 0.010 0.000 0.188 647 S C 0.074 174.790 174.600 0.193 0.000 1.230 647 S CA -0.084 58.207 58.200 0.151 0.000 0.920 647 S CB -0.886 62.424 63.200 0.184 0.000 1.577 647 S HN 0.715 nan 8.310 nan 0.000 0.445 648 D N 0.588 121.098 120.400 0.183 0.000 2.328 648 D HA 0.042 4.689 4.640 0.010 0.000 0.221 648 D C 0.383 176.746 176.300 0.104 0.000 1.072 648 D CA -0.151 53.948 54.000 0.166 0.000 0.850 648 D CB -0.223 40.657 40.800 0.134 0.000 0.922 648 D HN 0.498 nan 8.370 nan 0.000 0.516 649 N N 0.127 118.890 118.700 0.106 0.000 2.651 649 N HA 0.159 4.906 4.740 0.010 0.000 0.277 649 N C -1.615 173.966 175.510 0.118 0.000 1.787 649 N CA -0.225 52.879 53.050 0.090 0.000 0.818 649 N CB 0.279 38.805 38.487 0.065 0.000 1.316 649 N HN -0.045 nan 8.380 nan 0.000 0.503 650 E N 0.079 120.346 120.200 0.112 0.000 2.304 650 E HA 0.477 4.833 4.350 0.010 0.000 0.277 650 E C -1.498 175.150 176.600 0.080 0.000 0.898 650 E CA -0.671 55.787 56.400 0.097 0.000 0.764 650 E CB 2.506 32.229 29.700 0.038 0.000 1.216 650 E HN 0.325 nan 8.360 nan 0.000 0.419 651 L N 2.283 123.577 121.223 0.119 0.000 2.370 651 L HA 0.704 5.050 4.340 0.010 0.000 0.266 651 L C -1.832 175.176 176.870 0.229 0.000 1.002 651 L CA -1.075 53.861 54.840 0.159 0.000 0.818 651 L CB 1.367 43.528 42.059 0.169 0.000 1.325 651 L HN 0.532 nan 8.230 nan 0.000 0.418 652 L N 3.758 125.106 121.223 0.208 0.000 2.282 652 L HA 0.508 4.854 4.340 0.010 0.000 0.288 652 L C -0.942 176.120 176.870 0.320 0.000 1.033 652 L CA 0.283 55.282 54.840 0.265 0.000 0.807 652 L CB 0.644 42.843 42.059 0.232 0.000 1.209 652 L HN 0.643 nan 8.230 nan 0.000 0.423 653 H N 5.924 125.077 119.070 0.139 0.000 2.481 653 H HA 0.383 4.945 4.556 0.010 0.000 0.333 653 H C -1.198 174.221 175.328 0.151 0.000 1.066 653 H CA -0.655 55.435 56.048 0.070 0.000 1.209 653 H CB 1.134 30.889 29.762 -0.012 0.000 1.445 653 H HN 0.728 nan 8.280 nan 0.000 0.488 654 W N 3.641 125.023 121.300 0.137 0.000 2.799 654 W HA 0.607 5.273 4.660 0.010 0.000 0.349 654 W C -1.514 175.064 176.519 0.098 0.000 1.100 654 W CA -1.386 56.029 57.345 0.116 0.000 1.174 654 W CB 1.747 31.261 29.460 0.091 0.000 1.427 654 W HN 0.548 nan 8.180 nan 0.000 0.547 655 M N 2.600 122.434 119.600 0.389 0.000 2.426 655 M HA 0.558 5.044 4.480 0.010 0.000 0.289 655 M C -2.611 173.902 176.300 0.355 0.000 1.168 655 M CA -0.374 55.032 55.300 0.178 0.000 0.933 655 M CB 2.161 34.761 32.600 0.000 0.000 1.750 655 M HN 0.176 nan 8.290 nan 0.000 0.494 656 V N 3.458 123.571 119.914 0.332 0.000 2.448 656 V HA 1.013 5.140 4.120 0.010 0.000 0.295 656 V C -0.368 175.846 176.094 0.199 0.000 1.025 656 V CA -0.103 62.377 62.300 0.300 0.000 0.859 656 V CB 1.288 33.310 31.823 0.331 0.000 0.988 656 V HN 1.046 nan 8.190 nan 0.000 0.431 657 A N 4.525 127.475 122.820 0.218 0.000 2.498 657 A HA 0.930 5.256 4.320 0.010 0.000 0.298 657 A C -1.478 176.251 177.584 0.241 0.000 1.075 657 A CA -0.624 51.517 52.037 0.174 0.000 0.714 657 A CB 1.824 20.888 19.000 0.106 0.000 1.299 657 A HN 0.936 nan 8.150 nan 0.000 0.407 658 L N 1.213 122.541 121.223 0.176 0.000 2.316 658 L HA 0.555 4.902 4.340 0.010 0.000 0.280 658 L C -0.807 176.174 176.870 0.184 0.000 1.006 658 L CA 0.070 55.025 54.840 0.192 0.000 0.836 658 L CB 0.731 42.862 42.059 0.120 0.000 1.221 658 L HN 0.747 nan 8.230 nan 0.000 0.418 659 D N 4.649 125.224 120.400 0.292 0.000 2.697 659 D HA -0.210 4.436 4.640 0.010 0.000 0.235 659 D C 1.146 177.507 176.300 0.102 0.000 1.167 659 D CA 1.488 55.641 54.000 0.256 0.000 0.656 659 D CB -1.082 39.843 40.800 0.209 0.000 1.025 659 D HN 1.216 nan 8.370 nan 0.000 0.419 660 G N -0.566 108.261 108.800 0.045 0.000 2.284 660 G HA2 -0.379 3.587 3.960 0.010 0.000 0.247 660 G HA3 -0.379 3.587 3.960 0.010 0.000 0.247 660 G C 0.213 175.052 174.900 -0.102 0.000 1.012 660 G CA 0.594 45.612 45.100 -0.137 0.000 0.618 660 G HN 0.543 nan 8.290 nan 0.000 0.521 661 K N 2.220 122.608 120.400 -0.021 0.000 2.285 661 K HA 0.510 4.836 4.320 0.010 0.000 0.286 661 K C -2.738 173.867 176.600 0.009 0.000 1.072 661 K CA -1.896 54.380 56.287 -0.018 0.000 0.913 661 K CB 1.635 34.137 32.500 0.003 0.000 1.067 661 K HN 0.101 nan 8.250 nan 0.000 0.479 662 P HA 0.004 nan 4.420 nan 0.000 0.271 662 P C -0.061 177.249 177.300 0.017 0.000 1.233 662 P CA 0.073 63.170 63.100 -0.004 0.000 0.764 662 P CB 0.716 32.390 31.700 -0.043 0.000 0.825 663 L N 1.944 123.198 121.223 0.052 0.000 2.356 663 L HA 0.380 4.726 4.340 0.010 0.000 0.193 663 L C 1.149 178.058 176.870 0.066 0.000 1.087 663 L CA 0.594 55.470 54.840 0.061 0.000 0.817 663 L CB -0.336 41.775 42.059 0.087 0.000 1.035 663 L HN 0.333 nan 8.230 nan 0.000 0.482 664 A N -0.277 122.610 122.820 0.111 0.000 2.479 664 A HA 0.729 5.055 4.320 0.010 0.000 0.296 664 A C -0.745 176.794 177.584 -0.076 0.000 1.121 664 A CA -0.070 52.043 52.037 0.128 0.000 0.743 664 A CB 1.883 21.079 19.000 0.326 0.000 1.323 664 A HN 0.215 nan 8.150 nan 0.000 0.415 665 S N -0.852 114.547 115.700 -0.503 0.000 2.565 665 S HA 0.841 5.317 4.470 0.010 0.000 0.274 665 S C -0.465 173.154 174.600 -1.636 0.000 1.144 665 S CA 0.002 57.366 58.200 -1.394 0.000 0.849 665 S CB 1.014 63.828 63.200 -0.643 0.000 1.103 665 S HN 2.456 nan 8.310 nan 0.000 0.455 666 G N 0.543 107.914 108.800 -2.383 0.000 2.608 666 G HA2 0.702 4.668 3.960 0.010 0.000 0.291 666 G HA3 0.702 4.668 3.960 0.010 0.000 0.291 666 G C -2.120 172.307 174.900 -0.788 0.000 1.425 666 G CA -0.851 43.709 45.100 -0.900 0.000 0.787 666 G HN 1.020 nan 8.290 nan 0.000 0.484 667 E N -1.238 118.828 120.200 -0.223 0.000 2.293 667 E HA 0.700 5.056 4.350 0.010 0.000 0.270 667 E C -1.308 175.314 176.600 0.036 0.000 0.879 667 E CA -1.043 55.208 56.400 -0.250 0.000 0.756 667 E CB 2.977 32.285 29.700 -0.655 0.000 1.208 667 E HN 0.369 nan 8.360 nan 0.000 0.428 668 V N 2.058 122.032 119.914 0.099 0.000 2.760 668 V HA 0.479 4.605 4.120 0.010 0.000 0.309 668 V C -2.409 173.741 176.094 0.094 0.000 1.077 668 V CA -2.145 60.224 62.300 0.115 0.000 0.910 668 V CB 2.026 33.936 31.823 0.145 0.000 1.008 668 V HN 0.713 nan 8.190 nan 0.000 0.424 669 P HA 0.276 nan 4.420 nan 0.000 0.276 669 P C -0.846 176.497 177.300 0.072 0.000 1.230 669 P CA -0.094 63.051 63.100 0.075 0.000 0.776 669 P CB 0.963 32.705 31.700 0.069 0.000 0.888 670 L N 3.068 124.324 121.223 0.055 0.000 2.292 670 L HA 0.312 4.658 4.340 0.010 0.000 0.284 670 L C 0.556 177.455 176.870 0.048 0.000 1.065 670 L CA 0.154 55.005 54.840 0.019 0.000 0.806 670 L CB 0.668 42.668 42.059 -0.098 0.000 1.175 670 L HN 0.328 nan 8.230 nan 0.000 0.431 671 D N 2.637 123.064 120.400 0.045 0.000 2.513 671 D HA 0.314 4.961 4.640 0.010 0.000 0.295 671 D C -1.183 175.052 176.300 -0.108 0.000 1.202 671 D CA -0.106 53.955 54.000 0.101 0.000 0.849 671 D CB 0.871 41.803 40.800 0.220 0.000 1.116 671 D HN 0.039 nan 8.370 nan 0.000 0.502 672 V N 1.285 120.973 119.914 -0.377 0.000 2.448 672 V HA 0.812 4.938 4.120 0.010 0.000 0.295 672 V C 0.834 176.614 176.094 -0.523 0.000 1.025 672 V CA -1.245 60.899 62.300 -0.259 0.000 0.859 672 V CB 1.278 33.124 31.823 0.037 0.000 0.988 672 V HN 0.476 nan 8.190 nan 0.000 0.431 673 A N 7.155 129.864 122.820 -0.185 0.000 2.366 673 A HA 0.670 4.997 4.320 0.010 0.000 0.249 673 A C -2.246 175.359 177.584 0.036 0.000 1.084 673 A CA -1.294 50.784 52.037 0.069 0.000 0.794 673 A CB -0.193 18.915 19.000 0.180 0.000 1.034 673 A HN 0.678 nan 8.150 nan 0.000 0.491 674 P HA 0.056 nan 4.420 nan 0.000 0.265 674 P C -0.479 176.821 177.300 -0.001 0.000 1.193 674 P CA 0.463 63.587 63.100 0.040 0.000 0.765 674 P CB 0.562 32.275 31.700 0.022 0.000 0.823 675 Q N -1.365 118.417 119.800 -0.031 0.000 2.406 675 Q HA -0.163 4.184 4.340 0.010 0.000 0.236 675 Q C 0.732 176.723 176.000 -0.015 0.000 0.799 675 Q CA 1.796 57.573 55.803 -0.044 0.000 1.286 675 Q CB -2.575 26.131 28.738 -0.053 0.000 1.615 675 Q HN 0.784 nan 8.270 nan 0.000 0.621 676 G N -0.015 108.789 108.800 0.006 0.000 2.537 676 G HA2 0.572 4.538 3.960 0.010 0.000 0.297 676 G HA3 0.572 4.538 3.960 0.010 0.000 0.297 676 G C -0.256 174.658 174.900 0.023 0.000 1.310 676 G CA -0.558 44.554 45.100 0.020 0.000 1.027 676 G HN -0.022 nan 8.290 nan 0.000 0.505 677 K N -0.604 119.813 120.400 0.029 0.000 2.385 677 K HA 0.481 4.807 4.320 0.010 0.000 0.248 677 K C -1.097 175.528 176.600 0.040 0.000 0.955 677 K CA -0.604 55.702 56.287 0.032 0.000 0.816 677 K CB 2.547 35.061 32.500 0.024 0.000 1.250 677 K HN 0.555 nan 8.250 nan 0.000 0.434 678 Q N 2.884 122.711 119.800 0.045 0.000 2.268 678 Q HA 0.351 4.697 4.340 0.010 0.000 0.266 678 Q C -1.779 174.250 176.000 0.049 0.000 1.006 678 Q CA -0.554 55.278 55.803 0.049 0.000 0.824 678 Q CB 1.400 30.171 28.738 0.054 0.000 1.306 678 Q HN 0.535 nan 8.270 nan 0.000 0.424 679 L N 5.058 126.301 121.223 0.035 0.000 2.295 679 L HA 0.600 4.947 4.340 0.010 0.000 0.285 679 L C -0.417 176.461 176.870 0.013 0.000 1.035 679 L CA -0.798 54.054 54.840 0.021 0.000 0.806 679 L CB 1.343 43.405 42.059 0.004 0.000 1.214 679 L HN 0.581 nan 8.230 nan 0.000 0.426 680 I N 2.377 122.948 120.570 0.001 0.000 2.439 680 I HA 0.333 4.509 4.170 0.010 0.000 0.285 680 I C -0.623 175.444 176.117 -0.083 0.000 1.021 680 I CA -0.582 60.704 61.300 -0.023 0.000 1.091 680 I CB 2.054 40.059 38.000 0.008 0.000 1.242 680 I HN 0.554 nan 8.210 nan 0.000 0.439 681 E N 5.759 125.904 120.200 -0.093 0.000 2.156 681 E HA 0.532 4.889 4.350 0.010 0.000 0.279 681 E C -0.853 175.635 176.600 -0.187 0.000 0.965 681 E CA -0.433 55.889 56.400 -0.130 0.000 0.789 681 E CB 1.679 31.323 29.700 -0.093 0.000 1.098 681 E HN 0.421 nan 8.360 nan 0.000 0.397 682 L N 5.389 126.453 121.223 -0.265 0.000 2.395 682 L HA 0.429 4.775 4.340 0.010 0.000 0.269 682 L C -1.841 174.880 176.870 -0.248 0.000 1.133 682 L CA -2.097 52.513 54.840 -0.383 0.000 0.812 682 L CB 0.250 41.978 42.059 -0.550 0.000 1.125 682 L HN 0.410 nan 8.230 nan 0.000 0.452 683 P HA -0.030 nan 4.420 nan 0.000 0.270 683 P C -0.463 176.778 177.300 -0.098 0.000 1.223 683 P CA -0.349 62.688 63.100 -0.105 0.000 0.785 683 P CB 0.432 32.114 31.700 -0.029 0.000 0.923 684 E N 1.587 121.754 120.200 -0.054 0.000 2.481 684 E HA -0.017 4.339 4.350 0.010 0.000 0.263 684 E C -0.742 175.844 176.600 -0.025 0.000 0.992 684 E CA 0.108 56.482 56.400 -0.043 0.000 0.938 684 E CB 0.156 29.841 29.700 -0.023 0.000 0.933 684 E HN 0.284 nan 8.360 nan 0.000 0.453 685 L N 5.652 126.860 121.223 -0.025 0.000 2.325 685 L HA 0.396 4.742 4.340 0.010 0.000 0.279 685 L C -2.041 174.843 176.870 0.023 0.000 1.054 685 L CA -2.437 52.410 54.840 0.012 0.000 0.804 685 L CB 0.956 43.024 42.059 0.014 0.000 1.200 685 L HN 0.455 nan 8.230 nan 0.000 0.436 686 P HA -0.005 nan 4.420 nan 0.000 0.264 686 P C -1.071 176.247 177.300 0.031 0.000 1.183 686 P CA -0.047 63.077 63.100 0.040 0.000 0.763 686 P CB 0.442 32.175 31.700 0.054 0.000 0.807 687 Q N 3.626 123.439 119.800 0.022 0.000 2.290 687 Q HA 0.436 4.782 4.340 0.010 0.000 0.259 687 Q C -1.991 174.022 176.000 0.021 0.000 0.941 687 Q CA -1.424 54.389 55.803 0.017 0.000 0.912 687 Q CB 0.683 29.425 28.738 0.008 0.000 1.244 687 Q HN 0.377 nan 8.270 nan 0.000 0.441 688 P HA 0.263 nan 4.420 nan 0.000 0.290 688 P C -0.602 176.710 177.300 0.020 0.000 1.275 688 P CA -0.458 62.657 63.100 0.025 0.000 0.841 688 P CB 1.595 33.315 31.700 0.033 0.000 1.042 689 E N -0.224 119.987 120.200 0.019 0.000 2.415 689 E HA 0.014 4.370 4.350 0.010 0.000 0.197 689 E C 0.598 177.209 176.600 0.019 0.000 1.007 689 E CA 0.152 56.562 56.400 0.016 0.000 0.890 689 E CB 0.204 29.913 29.700 0.013 0.000 0.891 689 E HN 0.394 nan 8.360 nan 0.000 0.496 690 S N 1.274 116.988 115.700 0.024 0.000 2.546 690 S HA 0.187 4.664 4.470 0.010 0.000 0.290 690 S C 0.246 174.867 174.600 0.034 0.000 1.290 690 S CA -0.252 57.966 58.200 0.030 0.000 1.069 690 S CB 0.365 63.585 63.200 0.033 0.000 0.846 690 S HN 0.246 nan 8.310 nan 0.000 0.495 691 A N 4.105 126.947 122.820 0.036 0.000 2.466 691 A HA 0.642 4.968 4.320 0.010 0.000 0.238 691 A C 1.071 178.687 177.584 0.053 0.000 1.074 691 A CA 0.408 52.468 52.037 0.039 0.000 0.774 691 A CB -0.660 18.365 19.000 0.040 0.000 1.015 691 A HN 2.038 nan 8.150 nan 0.000 0.498 692 G N -0.472 108.357 108.800 0.049 0.000 2.331 692 G HA2 0.369 4.336 3.960 0.010 0.000 0.402 692 G HA3 0.369 4.336 3.960 0.010 0.000 0.402 692 G C -0.895 174.028 174.900 0.039 0.000 1.275 692 G CA -0.094 45.047 45.100 0.068 0.000 1.003 692 G HN 1.185 nan 8.290 nan 0.000 0.500 693 Q N -0.224 119.615 119.800 0.065 0.000 2.314 693 Q HA 0.726 5.073 4.340 0.010 0.000 0.259 693 Q C -0.171 175.815 176.000 -0.024 0.000 0.951 693 Q CA -0.509 55.263 55.803 -0.052 0.000 0.909 693 Q CB 1.202 29.847 28.738 -0.155 0.000 1.236 693 Q HN 0.590 nan 8.270 nan 0.000 0.444 694 L N 4.449 125.587 121.223 -0.141 0.000 2.326 694 L HA 0.448 4.795 4.340 0.010 0.000 0.278 694 L C -0.911 175.843 176.870 -0.193 0.000 1.092 694 L CA -0.287 54.533 54.840 -0.033 0.000 0.810 694 L CB 0.655 42.691 42.059 -0.038 0.000 1.153 694 L HN 0.714 nan 8.230 nan 0.000 0.439 695 W N 4.558 125.906 121.300 0.080 0.000 2.785 695 W HA 0.508 5.174 4.660 0.010 0.000 0.333 695 W C -0.870 175.750 176.519 0.168 0.000 1.062 695 W CA -0.533 56.881 57.345 0.115 0.000 1.233 695 W CB 1.717 31.253 29.460 0.127 0.000 1.413 695 W HN 0.118 nan 8.180 nan 0.000 0.489 696 L N 3.064 124.566 121.223 0.465 0.000 2.322 696 L HA 0.833 5.180 4.340 0.010 0.000 0.281 696 L C -0.429 176.733 176.870 0.488 0.000 1.014 696 L CA 0.115 55.215 54.840 0.433 0.000 0.815 696 L CB 1.572 43.847 42.059 0.360 0.000 1.247 696 L HN 0.339 nan 8.230 nan 0.000 0.421 697 T N 4.765 119.560 114.554 0.402 0.000 2.861 697 T HA 0.689 5.045 4.350 0.010 0.000 0.287 697 T C -0.878 174.007 174.700 0.308 0.000 1.003 697 T CA -0.421 61.870 62.100 0.318 0.000 0.977 697 T CB 1.682 70.682 68.868 0.220 0.000 0.996 697 T HN 0.682 nan 8.240 nan 0.000 0.448 698 V N 1.303 121.357 119.914 0.234 0.000 2.735 698 V HA 0.973 5.099 4.120 0.010 0.000 0.310 698 V C -1.424 174.746 176.094 0.127 0.000 1.061 698 V CA -1.172 61.242 62.300 0.190 0.000 0.913 698 V CB 1.997 33.912 31.823 0.154 0.000 1.005 698 V HN 0.762 nan 8.190 nan 0.000 0.428 699 R N 2.606 123.209 120.500 0.173 0.000 2.621 699 R HA 0.768 5.114 4.340 0.010 0.000 0.284 699 R C -1.284 175.132 176.300 0.194 0.000 0.998 699 R CA -0.587 55.627 56.100 0.191 0.000 0.895 699 R CB 2.240 32.598 30.300 0.095 0.000 1.195 699 R HN 0.690 nan 8.270 nan 0.000 0.450 700 V N 3.304 123.359 119.914 0.235 0.000 2.407 700 V HA 0.440 4.566 4.120 0.010 0.000 0.278 700 V C -0.318 175.866 176.094 0.150 0.000 1.037 700 V CA -0.602 61.816 62.300 0.195 0.000 0.900 700 V CB 1.536 33.474 31.823 0.192 0.000 0.983 700 V HN 0.476 nan 8.190 nan 0.000 0.459 701 V N 5.107 125.081 119.914 0.100 0.000 2.628 701 V HA 0.398 4.524 4.120 0.010 0.000 0.306 701 V C -0.195 175.966 176.094 0.111 0.000 1.045 701 V CA -0.837 61.486 62.300 0.038 0.000 0.905 701 V CB 1.890 33.620 31.823 -0.154 0.000 0.997 701 V HN 0.892 nan 8.190 nan 0.000 0.436 702 Q N 5.120 125.000 119.800 0.134 0.000 2.441 702 Q HA 0.236 4.582 4.340 0.010 0.000 0.234 702 Q C -1.728 174.314 176.000 0.071 0.000 1.078 702 Q CA -1.767 54.112 55.803 0.128 0.000 0.907 702 Q CB 1.359 30.184 28.738 0.144 0.000 1.269 702 Q HN 0.486 nan 8.270 nan 0.000 0.502 703 P HA -0.246 nan 4.420 nan 0.000 0.216 703 P C -0.594 176.720 177.300 0.024 0.000 1.157 703 P CA 1.502 64.635 63.100 0.056 0.000 0.880 703 P CB 0.234 31.973 31.700 0.064 0.000 0.791 704 N N -1.073 117.632 118.700 0.008 0.000 2.466 704 N HA 0.483 5.229 4.740 0.010 0.000 0.294 704 N C -0.396 175.068 175.510 -0.075 0.000 1.129 704 N CA -0.817 52.218 53.050 -0.024 0.000 0.931 704 N CB 0.914 39.390 38.487 -0.018 0.000 1.193 704 N HN -0.023 nan 8.380 nan 0.000 0.500 705 A N 0.438 123.204 122.820 -0.090 0.000 2.386 705 A HA 0.527 4.853 4.320 0.010 0.000 0.246 705 A C 0.516 177.972 177.584 -0.213 0.000 1.089 705 A CA 0.050 51.993 52.037 -0.157 0.000 0.790 705 A CB -0.078 18.854 19.000 -0.112 0.000 1.042 705 A HN 0.763 nan 8.150 nan 0.000 0.497 706 T N -3.814 110.533 114.554 -0.345 0.000 2.716 706 T HA 0.621 4.978 4.350 0.010 0.000 0.286 706 T C 0.729 175.271 174.700 -0.263 0.000 1.052 706 T CA 0.049 61.934 62.100 -0.358 0.000 1.024 706 T CB 1.094 69.485 68.868 -0.796 0.000 1.349 706 T HN 1.424 nan 8.240 nan 0.000 0.525 707 A N -0.137 122.628 122.820 -0.092 0.000 2.168 707 A HA 0.161 4.488 4.320 0.010 0.000 0.215 707 A C 1.458 179.190 177.584 0.247 0.000 1.152 707 A CA 0.715 52.807 52.037 0.092 0.000 0.716 707 A CB -0.841 18.256 19.000 0.161 0.000 0.794 707 A HN 0.884 nan 8.150 nan 0.000 0.465 708 W N -0.774 120.591 121.300 0.108 0.000 2.714 708 W HA 0.426 5.093 4.660 0.011 0.000 0.353 708 W C -0.196 176.301 176.519 -0.038 0.000 0.999 708 W CA 0.455 57.838 57.345 0.063 0.000 1.629 708 W CB -1.141 28.342 29.460 0.038 0.000 1.106 708 W HN 0.433 nan 8.180 nan 0.000 0.545 709 S N -0.176 115.075 115.700 -0.747 0.000 2.547 709 S HA 0.379 4.855 4.470 0.010 0.000 0.270 709 S C -1.039 173.322 174.600 -0.399 0.000 1.150 709 S CA -0.714 57.100 58.200 -0.644 0.000 0.850 709 S CB 2.515 64.916 63.200 -1.331 0.000 1.118 709 S HN 0.106 nan 8.310 nan 0.000 0.461 710 E N 0.884 120.973 120.200 -0.186 0.000 2.373 710 E HA 0.520 4.876 4.350 0.010 0.000 0.263 710 E C 0.493 177.058 176.600 -0.059 0.000 1.073 710 E CA -0.400 55.951 56.400 -0.083 0.000 0.894 710 E CB 0.955 30.651 29.700 -0.006 0.000 1.008 710 E HN 0.854 nan 8.360 nan 0.000 0.420 711 A N 1.384 124.178 122.820 -0.043 0.000 2.483 711 A HA 0.379 4.705 4.320 0.010 0.000 0.238 711 A C 1.208 178.800 177.584 0.012 0.000 1.070 711 A CA 0.694 52.720 52.037 -0.019 0.000 0.770 711 A CB -0.275 18.717 19.000 -0.013 0.000 1.008 711 A HN 0.832 nan 8.150 nan 0.000 0.497 712 G N 0.176 108.992 108.800 0.026 0.000 2.195 712 G HA2 -0.253 3.713 3.960 0.010 0.000 0.246 712 G HA3 -0.253 3.713 3.960 0.010 0.000 0.246 712 G C 0.276 175.189 174.900 0.022 0.000 0.984 712 G CA 0.728 45.832 45.100 0.008 0.000 0.633 712 G HN 1.800 nan 8.290 nan 0.000 0.525 713 H N 0.752 119.806 119.070 -0.026 0.000 3.064 713 H HA 0.388 4.950 4.556 0.010 0.000 0.329 713 H C 0.688 176.057 175.328 0.069 0.000 1.020 713 H CA 0.574 56.629 56.048 0.012 0.000 1.402 713 H CB 0.156 29.903 29.762 -0.024 0.000 1.379 713 H HN 0.311 nan 8.280 nan 0.000 0.594 714 I N 4.883 125.133 120.570 -0.533 0.000 2.304 714 I HA 0.040 4.216 4.170 0.010 0.000 0.291 714 I C 0.954 176.922 176.117 -0.248 0.000 1.018 714 I CA 0.008 61.154 61.300 -0.257 0.000 1.260 714 I CB 1.502 39.416 38.000 -0.143 0.000 1.390 714 I HN 0.793 nan 8.210 nan 0.000 0.475 715 S N 4.500 120.313 115.700 0.188 0.000 2.497 715 S HA 0.491 4.967 4.470 0.010 0.000 0.218 715 S C 0.512 175.396 174.600 0.472 0.000 1.023 715 S CA 0.076 58.552 58.200 0.459 0.000 0.913 715 S CB 0.544 64.126 63.200 0.637 0.000 0.800 715 S HN 0.699 nan 8.310 nan 0.000 0.505 716 A N 0.321 123.432 122.820 0.485 0.000 2.605 716 A HA 0.656 4.982 4.320 0.010 0.000 0.294 716 A C -1.683 176.204 177.584 0.505 0.000 1.062 716 A CA -0.833 51.454 52.037 0.418 0.000 0.682 716 A CB 0.433 19.753 19.000 0.535 0.000 1.278 716 A HN 0.958 nan 8.150 nan 0.000 0.410 717 W N 0.050 121.497 121.300 0.245 0.000 3.005 717 W HA 0.814 5.481 4.660 0.011 0.000 0.343 717 W C -1.218 175.304 176.519 0.006 0.000 1.243 717 W CA -0.617 56.752 57.345 0.041 0.000 1.186 717 W CB 1.155 30.619 29.460 0.007 0.000 1.453 717 W HN 1.046 nan 8.180 nan 0.000 0.575 718 Q N 1.280 121.052 119.800 -0.046 0.000 2.594 718 Q HA 0.387 4.733 4.340 0.010 0.000 0.278 718 Q C -1.928 173.895 176.000 -0.295 0.000 0.961 718 Q CA -0.515 55.112 55.803 -0.292 0.000 0.844 718 Q CB 2.387 30.748 28.738 -0.629 0.000 1.475 718 Q HN 0.673 nan 8.270 nan 0.000 0.389 719 Q N 2.029 121.591 119.800 -0.396 0.000 2.421 719 Q HA 0.749 5.095 4.340 0.010 0.000 0.280 719 Q C -1.555 174.339 176.000 -0.176 0.000 1.085 719 Q CA -0.516 55.242 55.803 -0.075 0.000 0.807 719 Q CB 1.597 30.447 28.738 0.187 0.000 1.405 719 Q HN 0.681 nan 8.270 nan 0.000 0.419 720 W N 1.812 123.271 121.300 0.266 0.000 3.167 720 W HA 0.479 5.145 4.660 0.010 0.000 0.324 720 W C -0.686 175.845 176.519 0.019 0.000 1.230 720 W CA -0.817 56.614 57.345 0.144 0.000 1.184 720 W CB 1.770 31.268 29.460 0.064 0.000 1.414 720 W HN 0.512 nan 8.180 nan 0.000 0.551 721 R N 1.712 122.188 120.500 -0.040 0.000 2.254 721 R HA 0.472 4.819 4.340 0.010 0.000 0.318 721 R C 0.454 176.598 176.300 -0.259 0.000 1.031 721 R CA -0.278 55.467 56.100 -0.591 0.000 0.905 721 R CB 1.332 31.202 30.300 -0.716 0.000 1.050 721 R HN 0.293 nan 8.270 nan 0.000 0.456 722 L N 1.473 122.551 121.223 -0.242 0.000 2.664 722 L HA 0.485 4.831 4.340 0.010 0.000 0.166 722 L C 0.809 177.581 176.870 -0.163 0.000 1.824 722 L CA -0.648 54.108 54.840 -0.141 0.000 3.021 722 L CB -0.223 41.789 42.059 -0.077 0.000 2.992 722 L HN 0.583 nan 8.230 nan 0.000 0.755 723 A N 0.068 122.820 122.820 -0.114 0.000 2.406 723 A HA 0.261 4.587 4.320 0.010 0.000 0.243 723 A C -0.348 177.164 177.584 -0.120 0.000 1.082 723 A CA 0.170 52.147 52.037 -0.100 0.000 0.786 723 A CB 0.293 19.256 19.000 -0.062 0.000 1.029 723 A HN 0.574 nan 8.150 nan 0.000 0.495 724 E N 0.489 120.632 120.200 -0.095 0.000 2.256 724 E HA 0.313 4.669 4.350 0.010 0.000 0.268 724 E C -1.579 174.997 176.600 -0.040 0.000 0.877 724 E CA -0.676 55.676 56.400 -0.080 0.000 0.757 724 E CB 0.974 30.619 29.700 -0.093 0.000 1.183 724 E HN 0.669 nan 8.360 nan 0.000 0.418 725 N N 5.053 123.742 118.700 -0.019 0.000 2.564 725 N HA 0.261 5.007 4.740 0.010 0.000 0.248 725 N C -0.540 174.976 175.510 0.009 0.000 0.986 725 N CA -0.365 52.683 53.050 -0.003 0.000 0.921 725 N CB 1.221 39.710 38.487 0.003 0.000 1.136 725 N HN 0.520 nan 8.380 nan 0.000 0.509 726 L N 1.127 122.356 121.223 0.009 0.000 2.559 726 L HA 0.000 4.347 4.340 0.010 0.000 0.274 726 L C 1.169 178.054 176.870 0.025 0.000 1.205 726 L CA 0.444 55.295 54.840 0.019 0.000 0.907 726 L CB 0.203 42.273 42.059 0.018 0.000 1.153 726 L HN 0.343 nan 8.230 nan 0.000 0.490 727 S N 2.075 117.796 115.700 0.035 0.000 2.465 727 S HA 0.168 4.644 4.470 0.010 0.000 0.280 727 S C 0.870 175.489 174.600 0.032 0.000 1.232 727 S CA -0.735 57.487 58.200 0.036 0.000 1.066 727 S CB 0.630 63.857 63.200 0.045 0.000 0.929 727 S HN 0.487 nan 8.310 nan 0.000 0.494 728 V N 2.182 122.112 119.914 0.026 0.000 3.578 728 V HA 0.219 4.345 4.120 0.010 0.000 0.290 728 V C 0.839 176.946 176.094 0.022 0.000 1.376 728 V CA -0.177 62.137 62.300 0.023 0.000 1.083 728 V CB -0.928 30.906 31.823 0.018 0.000 0.911 728 V HN 0.780 nan 8.190 nan 0.000 0.433 729 T N 0.907 115.476 114.554 0.024 0.000 2.913 729 T HA 0.631 4.988 4.350 0.010 0.000 0.297 729 T C -0.379 174.335 174.700 0.023 0.000 1.029 729 T CA -0.322 61.791 62.100 0.022 0.000 1.104 729 T CB 1.610 70.492 68.868 0.023 0.000 0.964 729 T HN 0.146 nan 8.240 nan 0.000 0.532 730 L N 3.532 124.766 121.223 0.018 0.000 2.292 730 L HA 0.422 4.768 4.340 0.010 0.000 0.284 730 L C -1.549 175.331 176.870 0.016 0.000 1.065 730 L CA -1.675 53.175 54.840 0.016 0.000 0.806 730 L CB -0.287 41.778 42.059 0.010 0.000 1.175 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.113 nan 4.420 nan 0.000 0.270 731 P C -0.756 176.546 177.300 0.004 0.000 1.216 731 P CA -0.443 62.668 63.100 0.018 0.000 0.788 731 P CB 0.359 32.071 31.700 0.020 0.000 0.883 732 A N 1.170 123.992 122.820 0.003 0.000 2.363 732 A HA 0.532 4.858 4.320 0.010 0.000 0.270 732 A C 0.421 177.968 177.584 -0.062 0.000 1.121 732 A CA -0.186 51.842 52.037 -0.014 0.000 0.800 732 A CB -0.127 18.877 19.000 0.007 0.000 1.052 732 A HN 0.664 nan 8.150 nan 0.000 0.493 733 A N 2.947 125.715 122.820 -0.087 0.000 2.545 733 A HA 0.452 4.779 4.320 0.010 0.000 0.253 733 A C 0.911 178.284 177.584 -0.351 0.000 1.074 733 A CA 0.403 52.350 52.037 -0.150 0.000 0.760 733 A CB -0.648 18.290 19.000 -0.103 0.000 1.005 733 A HN 1.640 nan 8.150 nan 0.000 0.506 734 S N 2.771 118.260 115.700 -0.352 0.000 2.505 734 S HA 0.291 4.767 4.470 0.010 0.000 0.276 734 S C 0.655 174.993 174.600 -0.438 0.000 1.274 734 S CA -0.174 57.718 58.200 -0.513 0.000 1.053 734 S CB 0.268 63.362 63.200 -0.176 0.000 0.919 734 S HN 0.760 nan 8.310 nan 0.000 0.490 735 H N 3.421 122.493 119.070 0.003 0.000 2.261 735 H HA 0.245 4.808 4.556 0.010 0.000 0.301 735 H C 1.456 176.781 175.328 -0.005 0.000 1.067 735 H CA 0.978 57.026 56.048 0.000 0.000 1.297 735 H CB -1.098 28.664 29.762 0.001 0.000 1.377 735 H HN 0.847 nan 8.280 nan 0.000 0.492 736 A N 1.252 124.177 122.820 0.175 0.000 2.281 736 A HA 0.423 4.749 4.320 0.010 0.000 0.271 736 A C 0.013 177.605 177.584 0.014 0.000 1.196 736 A CA 0.172 52.249 52.037 0.067 0.000 0.807 736 A CB -0.056 18.979 19.000 0.058 0.000 1.138 736 A HN 0.408 nan 8.150 nan 0.000 0.506 737 I N -0.476 120.077 120.570 -0.028 0.000 2.651 737 I HA 0.471 4.647 4.170 0.010 0.000 0.287 737 I C -2.808 173.243 176.117 -0.111 0.000 1.244 737 I CA -2.717 58.560 61.300 -0.037 0.000 1.061 737 I CB 1.773 39.769 38.000 -0.007 0.000 1.286 737 I HN 0.442 nan 8.210 nan 0.000 0.434 738 P HA 0.260 nan 4.420 nan 0.000 0.272 738 P C -0.993 176.280 177.300 -0.046 0.000 1.240 738 P CA 0.265 63.316 63.100 -0.082 0.000 0.791 738 P CB 0.418 32.132 31.700 0.023 0.000 0.978 739 H N -0.429 118.681 119.070 0.066 0.000 2.492 739 H HA 0.524 5.086 4.556 0.010 0.000 0.345 739 H C -0.464 174.898 175.328 0.058 0.000 1.136 739 H CA -1.071 55.004 56.048 0.045 0.000 1.202 739 H CB 1.631 31.416 29.762 0.038 0.000 1.524 739 H HN 0.250 nan 8.280 nan 0.000 0.506 740 L N 1.908 123.241 121.223 0.184 0.000 2.329 740 L HA 0.469 4.815 4.340 0.010 0.000 0.279 740 L C -0.754 176.174 176.870 0.097 0.000 1.014 740 L CA -0.006 54.900 54.840 0.110 0.000 0.814 740 L CB 1.836 43.900 42.059 0.009 0.000 1.257 740 L HN 0.588 nan 8.230 nan 0.000 0.424 741 T N 3.296 117.928 114.554 0.130 0.000 2.879 741 T HA 0.544 4.900 4.350 0.010 0.000 0.290 741 T C -0.451 174.356 174.700 0.179 0.000 0.993 741 T CA -0.386 61.779 62.100 0.109 0.000 0.975 741 T CB 1.344 70.260 68.868 0.080 0.000 0.981 741 T HN 0.722 nan 8.240 nan 0.000 0.439 742 T N 2.583 117.243 114.554 0.176 0.000 2.952 742 T HA 0.833 5.190 4.350 0.010 0.000 0.286 742 T C -0.077 174.697 174.700 0.123 0.000 1.024 742 T CA -0.743 61.512 62.100 0.260 0.000 1.029 742 T CB 1.401 70.449 68.868 0.300 0.000 1.094 742 T HN 0.756 nan 8.240 nan 0.000 0.515 743 S N -0.355 115.383 115.700 0.064 0.000 2.615 743 S HA 0.391 4.867 4.470 0.010 0.000 0.269 743 S C 0.655 175.223 174.600 -0.053 0.000 1.161 743 S CA -0.861 57.343 58.200 0.008 0.000 0.817 743 S CB 1.583 64.785 63.200 0.004 0.000 1.131 743 S HN 0.719 nan 8.310 nan 0.000 0.467 744 E N -0.219 119.954 120.200 -0.045 0.000 2.160 744 E HA -0.123 4.233 4.350 0.010 0.000 0.195 744 E C 1.152 177.675 176.600 -0.129 0.000 0.991 744 E CA 1.327 57.682 56.400 -0.075 0.000 0.810 744 E CB -0.122 29.553 29.700 -0.043 0.000 0.742 744 E HN 0.630 nan 8.360 nan 0.000 0.466 745 M N 0.083 119.620 119.600 -0.105 0.000 2.501 745 M HA 0.117 4.603 4.480 0.010 0.000 0.261 745 M C 0.120 176.331 176.300 -0.147 0.000 1.129 745 M CA 0.602 55.837 55.300 -0.107 0.000 1.126 745 M CB 0.394 32.967 32.600 -0.044 0.000 1.359 745 M HN -0.100 nan 8.290 nan 0.000 0.471 746 D N -1.128 119.175 120.400 -0.162 0.000 2.570 746 D HA 0.432 5.079 4.640 0.010 0.000 0.244 746 D C -1.565 174.650 176.300 -0.142 0.000 1.178 746 D CA -0.377 53.541 54.000 -0.137 0.000 0.881 746 D CB 2.638 43.461 40.800 0.038 0.000 1.453 746 D HN -0.065 nan 8.370 nan 0.000 0.447 747 F N 0.996 121.024 119.950 0.129 0.000 2.427 747 F HA 0.361 4.894 4.527 0.010 0.000 0.348 747 F C -0.037 175.888 175.800 0.209 0.000 1.125 747 F CA -0.780 57.294 58.000 0.123 0.000 0.989 747 F CB 1.380 40.420 39.000 0.067 0.000 1.165 747 F HN 0.061 nan 8.300 nan 0.000 0.442 748 C N 4.801 124.321 119.300 0.366 0.000 2.417 748 C HA 0.701 5.168 4.460 0.010 0.000 0.324 748 C C -0.086 175.081 174.990 0.294 0.000 1.240 748 C CA -0.906 58.298 59.018 0.309 0.000 1.632 748 C CB 0.891 28.735 27.740 0.174 0.000 2.241 748 C HN 0.581 nan 8.230 nan 0.000 0.499 749 I N 2.412 123.213 120.570 0.385 0.000 2.441 749 I HA 0.519 4.696 4.170 0.010 0.000 0.295 749 I C -0.160 176.202 176.117 0.409 0.000 0.994 749 I CA -0.007 61.524 61.300 0.385 0.000 1.144 749 I CB 1.516 39.736 38.000 0.366 0.000 1.314 749 I HN 0.724 nan 8.210 nan 0.000 0.445 750 E N 6.334 126.707 120.200 0.288 0.000 2.272 750 E HA 0.744 5.100 4.350 0.010 0.000 0.269 750 E C -1.883 174.803 176.600 0.143 0.000 0.877 750 E CA -0.731 55.782 56.400 0.189 0.000 0.755 750 E CB 1.963 31.724 29.700 0.102 0.000 1.192 750 E HN 0.516 nan 8.360 nan 0.000 0.422 751 L N 5.267 126.577 121.223 0.144 0.000 2.611 751 L HA 0.603 4.949 4.340 0.010 0.000 0.263 751 L C 0.298 177.191 176.870 0.038 0.000 0.969 751 L CA 0.727 55.625 54.840 0.097 0.000 0.894 751 L CB 1.270 43.454 42.059 0.208 0.000 1.229 751 L HN 0.845 nan 8.230 nan 0.000 0.416 752 G N 4.221 113.014 108.800 -0.012 0.000 2.622 752 G HA2 -0.446 3.520 3.960 0.010 0.000 0.307 752 G HA3 -0.446 3.520 3.960 0.010 0.000 0.307 752 G C 0.699 175.570 174.900 -0.048 0.000 1.226 752 G CA 0.664 45.748 45.100 -0.026 0.000 0.997 752 G HN 1.082 nan 8.290 nan 0.000 0.551 753 N N 1.288 119.953 118.700 -0.058 0.000 2.494 753 N HA 0.039 4.785 4.740 0.010 0.000 0.182 753 N C 0.677 176.112 175.510 -0.126 0.000 1.076 753 N CA 1.304 54.305 53.050 -0.082 0.000 0.908 753 N CB 0.009 38.454 38.487 -0.070 0.000 0.967 753 N HN 0.725 nan 8.380 nan 0.000 0.449 754 K N 0.395 120.704 120.400 -0.152 0.000 2.110 754 K HA 0.453 4.779 4.320 0.010 0.000 0.263 754 K C -0.211 176.153 176.600 -0.392 0.000 0.975 754 K CA -0.532 55.552 56.287 -0.338 0.000 0.895 754 K CB 1.262 33.483 32.500 -0.464 0.000 1.060 754 K HN 0.189 nan 8.250 nan 0.000 0.448 755 R N 1.011 121.169 120.500 -0.569 0.000 2.668 755 R HA 0.475 4.821 4.340 0.010 0.000 0.272 755 R C -1.268 174.834 176.300 -0.330 0.000 1.019 755 R CA -1.068 54.844 56.100 -0.313 0.000 0.894 755 R CB 1.500 31.694 30.300 -0.177 0.000 1.228 755 R HN 0.472 nan 8.270 nan 0.000 0.460 756 W N 1.425 122.834 121.300 0.183 0.000 2.864 756 W HA 0.445 5.111 4.660 0.010 0.000 0.343 756 W C -0.658 175.986 176.519 0.207 0.000 1.109 756 W CA -0.610 56.819 57.345 0.139 0.000 1.192 756 W CB 2.544 32.065 29.460 0.102 0.000 1.426 756 W HN 0.498 nan 8.180 nan 0.000 0.529 757 Q N 2.096 122.061 119.800 0.275 0.000 2.305 757 Q HA 0.451 4.797 4.340 0.010 0.000 0.271 757 Q C -2.161 173.814 176.000 -0.041 0.000 1.046 757 Q CA -0.453 55.503 55.803 0.254 0.000 0.798 757 Q CB 1.897 30.860 28.738 0.375 0.000 1.286 757 Q HN 0.376 nan 8.270 nan 0.000 0.435 758 F N 2.596 122.636 119.950 0.150 0.000 2.477 758 F HA 0.343 4.876 4.527 0.010 0.000 0.335 758 F C 0.447 176.260 175.800 0.023 0.000 1.130 758 F CA -0.928 57.113 58.000 0.069 0.000 0.948 758 F CB 1.479 40.506 39.000 0.044 0.000 1.154 758 F HN 0.485 nan 8.300 nan 0.000 0.439 759 N N 3.344 122.141 118.700 0.161 0.000 2.470 759 N HA 0.101 4.847 4.740 0.010 0.000 0.268 759 N C 0.839 176.346 175.510 -0.005 0.000 1.136 759 N CA 0.037 53.127 53.050 0.067 0.000 0.961 759 N CB 0.845 39.383 38.487 0.084 0.000 1.067 759 N HN 0.695 nan 8.380 nan 0.000 0.468 760 R N 2.228 122.661 120.500 -0.113 0.000 2.193 760 R HA -0.070 4.276 4.340 0.010 0.000 0.213 760 R C 1.680 177.906 176.300 -0.123 0.000 1.055 760 R CA 0.704 56.686 56.100 -0.196 0.000 0.995 760 R CB 0.079 30.158 30.300 -0.369 0.000 0.893 760 R HN 0.697 nan 8.270 nan 0.000 0.459 761 Q N 0.923 120.679 119.800 -0.072 0.000 2.163 761 Q HA -0.066 4.281 4.340 0.010 0.000 0.198 761 Q C 1.681 177.664 176.000 -0.029 0.000 0.954 761 Q CA 1.647 57.422 55.803 -0.046 0.000 0.851 761 Q CB 0.236 28.965 28.738 -0.014 0.000 0.928 761 Q HN 0.309 nan 8.270 nan 0.000 0.459 762 S N -1.722 113.983 115.700 0.008 0.000 2.503 762 S HA 0.247 4.723 4.470 0.010 0.000 0.215 762 S C 1.372 175.890 174.600 -0.138 0.000 1.003 762 S CA 0.583 58.811 58.200 0.047 0.000 0.910 762 S CB 0.560 63.901 63.200 0.235 0.000 0.790 762 S HN 0.660 nan 8.310 nan 0.000 0.514 763 G N 0.471 109.177 108.800 -0.157 0.000 2.148 763 G HA2 -0.238 3.729 3.960 0.010 0.000 0.254 763 G HA3 -0.238 3.729 3.960 0.010 0.000 0.254 763 G C -0.121 174.608 174.900 -0.286 0.000 0.981 763 G CA 0.482 45.445 45.100 -0.227 0.000 0.670 763 G HN 0.542 nan 8.290 nan 0.000 0.528 764 F N -1.211 118.912 119.950 0.288 0.000 2.575 764 F HA 0.692 5.225 4.527 0.010 0.000 0.330 764 F C 0.449 176.304 175.800 0.092 0.000 1.056 764 F CA -1.472 56.664 58.000 0.227 0.000 0.964 764 F CB 1.276 40.370 39.000 0.156 0.000 1.258 764 F HN 0.013 nan 8.300 nan 0.000 0.484 765 L N 1.847 123.135 121.223 0.109 0.000 2.485 765 L HA 0.226 4.572 4.340 0.010 0.000 0.279 765 L C 0.801 177.585 176.870 -0.143 0.000 1.124 765 L CA 0.421 54.976 54.840 -0.476 0.000 0.888 765 L CB 0.142 41.893 42.059 -0.513 0.000 1.217 765 L HN 0.688 nan 8.230 nan 0.000 0.464 766 S N 2.376 117.993 115.700 -0.138 0.000 2.511 766 S HA 0.318 4.794 4.470 0.010 0.000 0.214 766 S C 0.508 175.003 174.600 -0.176 0.000 0.997 766 S CA -0.177 57.984 58.200 -0.065 0.000 0.908 766 S CB 0.084 63.293 63.200 0.014 0.000 0.803 766 S HN 0.681 nan 8.310 nan 0.000 0.504 767 Q N -0.028 119.613 119.800 -0.265 0.000 2.545 767 Q HA 0.681 5.027 4.340 0.010 0.000 0.273 767 Q C -1.871 173.816 176.000 -0.523 0.000 0.975 767 Q CA -0.262 55.246 55.803 -0.491 0.000 0.876 767 Q CB 1.756 30.068 28.738 -0.710 0.000 1.472 767 Q HN 0.409 nan 8.270 nan 0.000 0.389 768 M N 2.035 121.191 119.600 -0.740 0.000 2.470 768 M HA 0.703 5.190 4.480 0.010 0.000 0.285 768 M C -1.932 174.001 176.300 -0.613 0.000 1.213 768 M CA -0.242 54.734 55.300 -0.540 0.000 0.901 768 M CB 1.777 34.069 32.600 -0.513 0.000 1.718 768 M HN 0.658 nan 8.290 nan 0.000 0.469 769 W N 4.596 125.663 121.300 -0.388 0.000 3.022 769 W HA 0.570 5.237 4.660 0.010 0.000 0.335 769 W C -1.475 174.854 176.519 -0.317 0.000 1.133 769 W CA -0.750 56.429 57.345 -0.277 0.000 1.219 769 W CB 1.647 30.971 29.460 -0.225 0.000 1.409 769 W HN 0.459 nan 8.180 nan 0.000 0.507 770 I N 2.313 122.894 120.570 0.018 0.000 2.378 770 I HA 0.456 4.632 4.170 0.010 0.000 0.291 770 I C 0.982 177.093 176.117 -0.010 0.000 0.992 770 I CA 0.262 61.525 61.300 -0.061 0.000 1.154 770 I CB 1.210 39.145 38.000 -0.109 0.000 1.315 770 I HN 0.741 nan 8.210 nan 0.000 0.448 771 G N 5.552 114.326 108.800 -0.043 0.000 2.629 771 G HA2 -0.361 3.606 3.960 0.010 0.000 0.313 771 G HA3 -0.361 3.606 3.960 0.010 0.000 0.313 771 G C 0.222 175.124 174.900 0.003 0.000 1.217 771 G CA 0.710 45.789 45.100 -0.034 0.000 0.994 771 G HN 0.677 nan 8.290 nan 0.000 0.549 772 D N 1.184 121.607 120.400 0.039 0.000 2.501 772 D HA 0.387 5.033 4.640 0.010 0.000 0.226 772 D C 0.211 176.661 176.300 0.250 0.000 1.198 772 D CA -0.012 54.054 54.000 0.111 0.000 0.830 772 D CB 0.256 41.079 40.800 0.038 0.000 1.014 772 D HN 0.348 nan 8.370 nan 0.000 0.496 773 K N 0.783 121.288 120.400 0.175 0.000 2.234 773 K HA 0.301 4.627 4.320 0.010 0.000 0.277 773 K C 0.106 176.686 176.600 -0.033 0.000 1.038 773 K CA -0.456 55.875 56.287 0.073 0.000 0.888 773 K CB 1.710 34.211 32.500 0.001 0.000 1.091 773 K HN -0.128 nan 8.250 nan 0.000 0.467 774 K N 1.668 121.949 120.400 -0.199 0.000 2.258 774 K HA 0.037 4.364 4.320 0.010 0.000 0.264 774 K C 0.693 177.098 176.600 -0.325 0.000 1.007 774 K CA -0.138 55.810 56.287 -0.564 0.000 0.941 774 K CB 0.666 32.794 32.500 -0.621 0.000 0.966 774 K HN 0.452 nan 8.250 nan 0.000 0.480 775 Q N 0.816 120.404 119.800 -0.353 0.000 2.245 775 Q HA 0.226 4.572 4.340 0.010 0.000 0.236 775 Q C -0.226 175.703 176.000 -0.119 0.000 0.842 775 Q CA 0.376 56.100 55.803 -0.133 0.000 0.945 775 Q CB 0.598 29.299 28.738 -0.062 0.000 1.122 775 Q HN 0.453 nan 8.270 nan 0.000 0.506 776 L N -0.194 120.890 121.223 -0.232 0.000 2.354 776 L HA 0.473 4.819 4.340 0.010 0.000 0.269 776 L C 0.822 177.555 176.870 -0.228 0.000 1.005 776 L CA -0.510 54.209 54.840 -0.203 0.000 0.819 776 L CB 1.618 43.557 42.059 -0.200 0.000 1.311 776 L HN -0.145 nan 8.230 nan 0.000 0.423 777 L N 0.329 121.410 121.223 -0.236 0.000 2.470 777 L HA 0.178 4.524 4.340 0.010 0.000 0.219 777 L C 0.765 177.508 176.870 -0.211 0.000 1.071 777 L CA 0.626 55.331 54.840 -0.225 0.000 0.850 777 L CB 0.700 42.604 42.059 -0.258 0.000 1.040 777 L HN 0.803 nan 8.230 nan 0.000 0.475 778 T N -1.076 113.327 114.554 -0.251 0.000 2.952 778 T HA 0.468 4.824 4.350 0.010 0.000 0.305 778 T C -2.835 171.791 174.700 -0.124 0.000 1.064 778 T CA -2.009 59.988 62.100 -0.172 0.000 1.008 778 T CB 2.203 70.996 68.868 -0.126 0.000 1.078 778 T HN -0.304 nan 8.240 nan 0.000 0.459 779 P HA 0.176 nan 4.420 nan 0.000 0.268 779 P C -0.466 176.822 177.300 -0.021 0.000 1.208 779 P CA -0.664 62.420 63.100 -0.027 0.000 0.777 779 P CB 0.276 31.996 31.700 0.034 0.000 0.875 780 L N 3.996 125.248 121.223 0.048 0.000 2.418 780 L HA 0.219 4.565 4.340 0.010 0.000 0.274 780 L C 0.262 177.128 176.870 -0.007 0.000 1.135 780 L CA 0.656 55.558 54.840 0.103 0.000 0.870 780 L CB -0.780 41.437 42.059 0.263 0.000 1.154 780 L HN 0.343 nan 8.230 nan 0.000 0.462 781 R N 2.842 123.256 120.500 -0.144 0.000 2.774 781 R HA 0.418 4.765 4.340 0.010 0.000 0.272 781 R C -1.063 175.096 176.300 -0.234 0.000 1.000 781 R CA -1.053 54.797 56.100 -0.417 0.000 0.906 781 R CB 1.228 31.090 30.300 -0.729 0.000 1.227 781 R HN 0.551 nan 8.270 nan 0.000 0.468 782 D N 1.348 121.623 120.400 -0.208 0.000 2.423 782 D HA 0.029 4.675 4.640 0.010 0.000 0.238 782 D C -0.419 175.409 176.300 -0.787 0.000 1.142 782 D CA 0.564 54.282 54.000 -0.469 0.000 0.884 782 D CB 0.692 41.108 40.800 -0.640 0.000 1.199 782 D HN 0.200 nan 8.370 nan 0.000 0.438 783 Q N 1.527 120.689 119.800 -1.062 0.000 2.271 783 Q HA 0.326 4.672 4.340 0.010 0.000 0.268 783 Q C -1.354 173.937 176.000 -1.181 0.000 1.021 783 Q CA -0.608 54.629 55.803 -0.942 0.000 0.802 783 Q CB 0.848 29.288 28.738 -0.496 0.000 1.282 783 Q HN 0.604 nan 8.270 nan 0.000 0.431 784 F N 0.852 120.402 119.950 -0.666 0.000 2.781 784 F HA 0.209 4.743 4.527 0.010 0.000 0.322 784 F C 0.474 175.820 175.800 -0.757 0.000 1.108 784 F CA -0.263 57.239 58.000 -0.829 0.000 1.179 784 F CB 1.622 39.825 39.000 -1.328 0.000 1.072 784 F HN 0.442 nan 8.300 nan 0.000 0.545 785 T N -0.781 113.456 114.554 -0.527 0.000 2.887 785 T HA 0.802 5.159 4.350 0.010 0.000 0.292 785 T C -0.646 173.798 174.700 -0.427 0.000 1.087 785 T CA -0.988 60.726 62.100 -0.643 0.000 1.009 785 T CB 2.812 71.236 68.868 -0.740 0.000 1.203 785 T HN 0.265 nan 8.240 nan 0.000 0.518 786 R N -0.330 119.968 120.500 -0.336 0.000 2.740 786 R HA 0.772 5.118 4.340 0.010 0.000 0.273 786 R C -0.912 175.444 176.300 0.093 0.000 0.998 786 R CA -1.230 54.804 56.100 -0.109 0.000 0.900 786 R CB 1.458 31.699 30.300 -0.099 0.000 1.223 786 R HN 0.839 nan 8.270 nan 0.000 0.466 787 A N 3.555 126.408 122.820 0.055 0.000 2.476 787 A HA 0.280 4.606 4.320 0.010 0.000 0.275 787 A C -1.976 175.668 177.584 0.099 0.000 1.133 787 A CA -1.255 50.810 52.037 0.046 0.000 0.797 787 A CB -0.541 18.436 19.000 -0.039 0.000 1.081 787 A HN 0.561 nan 8.150 nan 0.000 0.510 788 P HA 0.077 nan 4.420 nan 0.000 0.265 788 P C -0.196 177.218 177.300 0.191 0.000 1.193 788 P CA 0.376 63.637 63.100 0.268 0.000 0.765 788 P CB 0.415 32.314 31.700 0.332 0.000 0.823 789 L N 2.598 123.902 121.223 0.136 0.000 2.453 789 L HA 0.128 4.474 4.340 0.010 0.000 0.261 789 L C 1.833 178.739 176.870 0.060 0.000 1.179 789 L CA -0.351 54.504 54.840 0.025 0.000 0.813 789 L CB -0.007 42.004 42.059 -0.080 0.000 1.110 789 L HN 0.329 nan 8.230 nan 0.000 0.466 790 D N 0.619 121.018 120.400 -0.000 0.000 2.123 790 D HA -0.167 4.479 4.640 0.010 0.000 0.196 790 D C 1.579 177.878 176.300 -0.002 0.000 0.992 790 D CA 1.403 55.383 54.000 -0.033 0.000 0.833 790 D CB 0.071 40.820 40.800 -0.084 0.000 0.954 790 D HN 0.497 nan 8.370 nan 0.000 0.455 791 N N 1.071 119.761 118.700 -0.016 0.000 2.289 791 N HA -0.117 4.630 4.740 0.010 0.000 0.184 791 N C 1.128 176.662 175.510 0.039 0.000 1.016 791 N CA 0.730 53.781 53.050 0.001 0.000 0.872 791 N CB -0.142 38.325 38.487 -0.034 0.000 0.973 791 N HN 0.260 nan 8.380 nan 0.000 0.433 792 D N 0.174 120.611 120.400 0.061 0.000 2.234 792 D HA 0.073 4.719 4.640 0.010 0.000 0.205 792 D C 1.948 178.294 176.300 0.077 0.000 0.962 792 D CA 0.265 54.325 54.000 0.101 0.000 0.855 792 D CB 0.175 41.107 40.800 0.219 0.000 0.951 792 D HN 0.304 nan 8.370 nan 0.000 0.500 793 I N 0.256 120.863 120.570 0.061 0.000 2.400 793 I HA 0.055 4.232 4.170 0.010 0.000 0.248 793 I C 1.841 177.954 176.117 -0.007 0.000 1.109 793 I CA 0.681 61.996 61.300 0.025 0.000 1.425 793 I CB -0.356 37.639 38.000 -0.008 0.000 1.094 793 I HN 0.048 nan 8.210 nan 0.000 0.425 794 G N 1.167 109.972 108.800 0.008 0.000 2.583 794 G HA2 -0.356 3.610 3.960 0.010 0.000 0.292 794 G HA3 -0.356 3.610 3.960 0.010 0.000 0.292 794 G C 0.937 175.831 174.900 -0.010 0.000 1.203 794 G CA 1.310 46.425 45.100 0.025 0.000 0.987 794 G HN 0.376 nan 8.290 nan 0.000 0.554 795 V N -2.323 117.568 119.914 -0.038 0.000 2.256 795 V HA 0.311 4.437 4.120 0.010 0.000 0.240 795 V C 1.969 178.003 176.094 -0.100 0.000 1.036 795 V CA 2.093 64.325 62.300 -0.113 0.000 1.008 795 V CB -1.352 30.360 31.823 -0.184 0.000 0.648 795 V HN 2.414 nan 8.190 nan 0.000 0.453 796 S N 1.223 116.874 115.700 -0.081 0.000 4.235 796 S HA -0.221 4.256 4.470 0.010 0.000 0.191 796 S C 0.195 174.759 174.600 -0.060 0.000 0.553 796 S CA 0.993 59.154 58.200 -0.066 0.000 1.319 796 S CB -1.188 61.983 63.200 -0.049 0.000 1.952 796 S HN 0.863 nan 8.310 nan 0.000 0.332 797 E N 2.056 122.218 120.200 -0.063 0.000 2.330 797 E HA 0.720 5.076 4.350 0.010 0.000 0.256 797 E C 0.948 177.531 176.600 -0.028 0.000 1.146 797 E CA 0.191 56.562 56.400 -0.048 0.000 0.945 797 E CB 0.673 30.339 29.700 -0.057 0.000 1.182 797 E HN 0.502 nan 8.360 nan 0.000 0.480 798 A N -0.022 122.790 122.820 -0.013 0.000 2.095 798 A HA -0.012 4.314 4.320 0.010 0.000 0.212 798 A C 1.911 179.491 177.584 -0.007 0.000 1.162 798 A CA 1.151 53.186 52.037 -0.004 0.000 0.753 798 A CB -0.483 18.523 19.000 0.010 0.000 0.840 798 A HN 0.641 nan 8.150 nan 0.000 0.468 799 T N -1.078 113.468 114.554 -0.013 0.000 2.978 799 T HA 0.081 4.437 4.350 0.010 0.000 0.262 799 T C 0.786 175.470 174.700 -0.027 0.000 1.063 799 T CA 0.381 62.472 62.100 -0.016 0.000 1.140 799 T CB -0.099 68.759 68.868 -0.017 0.000 0.886 799 T HN 0.395 nan 8.240 nan 0.000 0.470 800 R N 1.395 121.872 120.500 -0.037 0.000 2.412 800 R HA 0.471 4.817 4.340 0.010 0.000 0.304 800 R C -1.129 175.140 176.300 -0.052 0.000 1.066 800 R CA -0.659 55.411 56.100 -0.050 0.000 0.923 800 R CB 1.280 31.539 30.300 -0.068 0.000 1.156 800 R HN 0.288 nan 8.270 nan 0.000 0.513 801 I N 1.985 122.528 120.570 -0.045 0.000 2.353 801 I HA 0.137 4.313 4.170 0.010 0.000 0.293 801 I C 0.102 176.184 176.117 -0.058 0.000 0.992 801 I CA -0.572 60.700 61.300 -0.046 0.000 1.268 801 I CB 1.364 39.344 38.000 -0.034 0.000 1.387 801 I HN 0.484 nan 8.210 nan 0.000 0.478 802 D N 9.255 129.615 120.400 -0.067 0.000 2.412 802 D HA 0.304 4.951 4.640 0.010 0.000 0.224 802 D C -1.622 174.622 176.300 -0.094 0.000 1.093 802 D CA -2.176 51.776 54.000 -0.080 0.000 0.850 802 D CB 1.773 42.524 40.800 -0.083 0.000 1.046 802 D HN 0.192 nan 8.370 nan 0.000 0.507 803 P HA -0.099 nan 4.420 nan 0.000 0.221 803 P C 0.828 178.030 177.300 -0.164 0.000 1.150 803 P CA 0.702 63.736 63.100 -0.109 0.000 0.800 803 P CB 0.363 32.009 31.700 -0.089 0.000 0.787 804 N N -0.276 118.318 118.700 -0.177 0.000 2.467 804 N HA 0.080 4.826 4.740 0.010 0.000 0.184 804 N C 0.407 175.704 175.510 -0.354 0.000 1.106 804 N CA -0.032 52.863 53.050 -0.258 0.000 0.892 804 N CB -0.386 37.969 38.487 -0.220 0.000 0.969 804 N HN -0.006 nan 8.380 nan 0.000 0.454 805 A N -0.593 122.068 122.820 -0.265 0.000 2.407 805 A HA 0.121 4.447 4.320 0.010 0.000 0.248 805 A C 0.674 178.030 177.584 -0.381 0.000 1.082 805 A CA -0.427 51.449 52.037 -0.268 0.000 0.785 805 A CB -0.088 18.832 19.000 -0.133 0.000 1.020 805 A HN 0.518 nan 8.150 nan 0.000 0.489 806 W N 1.578 122.614 121.300 -0.441 0.000 2.302 806 W HA -0.224 4.442 4.660 0.010 0.000 0.320 806 W C 2.270 178.228 176.519 -0.934 0.000 1.241 806 W CA 1.920 58.736 57.345 -0.882 0.000 1.264 806 W CB -0.522 28.282 29.460 -1.093 0.000 1.154 806 W HN 0.549 nan 8.180 nan 0.000 0.483 807 V N 0.831 120.618 119.914 -0.211 0.000 2.282 807 V HA -0.311 3.816 4.120 0.010 0.000 0.249 807 V C 2.278 178.448 176.094 0.127 0.000 1.057 807 V CA 2.311 64.701 62.300 0.149 0.000 1.032 807 V CB -0.475 31.471 31.823 0.206 0.000 0.645 807 V HN 0.091 nan 8.190 nan 0.000 0.447 808 E N -0.043 120.143 120.200 -0.023 0.000 2.051 808 E HA -0.206 4.151 4.350 0.010 0.000 0.192 808 E C 2.368 178.932 176.600 -0.061 0.000 0.991 808 E CA 1.460 57.840 56.400 -0.033 0.000 0.799 808 E CB -0.416 29.238 29.700 -0.078 0.000 0.748 808 E HN 0.606 nan 8.360 nan 0.000 0.449 809 R N -0.452 119.934 120.500 -0.190 0.000 2.081 809 R HA -0.128 4.218 4.340 0.010 0.000 0.235 809 R C 2.337 178.570 176.300 -0.112 0.000 1.131 809 R CA 1.295 57.261 56.100 -0.222 0.000 0.960 809 R CB -0.213 29.837 30.300 -0.417 0.000 0.856 809 R HN 0.269 nan 8.270 nan 0.000 0.436 810 W N 1.452 122.712 121.300 -0.066 0.000 2.355 810 W HA -0.078 4.589 4.660 0.011 0.000 0.309 810 W C 2.022 178.499 176.519 -0.070 0.000 1.206 810 W CA 0.670 57.879 57.345 -0.226 0.000 1.284 810 W CB -0.768 28.682 29.460 -0.016 0.000 1.145 810 W HN 0.095 nan 8.180 nan 0.000 0.502 811 K N 0.253 120.880 120.400 0.378 0.000 1.987 811 K HA -0.156 4.170 4.320 0.010 0.000 0.216 811 K C 2.265 178.932 176.600 0.111 0.000 1.051 811 K CA 2.154 58.614 56.287 0.287 0.000 0.942 811 K CB -0.806 31.811 32.500 0.195 0.000 0.722 811 K HN -0.013 nan 8.250 nan 0.000 0.444 812 A N 1.164 124.017 122.820 0.055 0.000 1.978 812 A HA -0.143 4.183 4.320 0.010 0.000 0.220 812 A C 2.209 179.788 177.584 -0.007 0.000 1.170 812 A CA 1.918 53.967 52.037 0.021 0.000 0.636 812 A CB -0.654 18.347 19.000 0.001 0.000 0.810 812 A HN 0.397 nan 8.150 nan 0.000 0.448 813 A N -1.961 120.831 122.820 -0.047 0.000 2.206 813 A HA 0.385 4.711 4.320 0.010 0.000 0.211 813 A C 1.877 179.400 177.584 -0.102 0.000 1.158 813 A CA 1.278 53.291 52.037 -0.039 0.000 0.761 813 A CB -0.894 18.036 19.000 -0.117 0.000 0.801 813 A HN 1.912 nan 8.150 nan 0.000 0.473 814 G N -1.724 106.916 108.800 -0.266 0.000 2.141 814 G HA2 -0.308 3.659 3.960 0.010 0.000 0.242 814 G HA3 -0.308 3.659 3.960 0.010 0.000 0.242 814 G C 0.621 175.496 174.900 -0.041 0.000 0.982 814 G CA 0.682 45.395 45.100 -0.646 0.000 0.662 814 G HN 0.738 nan 8.290 nan 0.000 0.527 815 H N -1.307 117.734 119.070 -0.048 0.000 2.352 815 H HA -0.114 4.448 4.556 0.010 0.000 0.299 815 H C 2.168 177.461 175.328 -0.058 0.000 1.097 815 H CA 1.665 57.700 56.048 -0.020 0.000 1.311 815 H CB 0.051 29.731 29.762 -0.137 0.000 1.377 815 H HN 0.611 nan 8.280 nan 0.000 0.504 816 Y N 0.884 121.302 120.300 0.197 0.000 2.561 816 Y HA -0.101 4.455 4.550 0.010 0.000 0.291 816 Y C 2.288 178.262 175.900 0.124 0.000 1.141 816 Y CA 0.679 58.853 58.100 0.123 0.000 1.303 816 Y CB 0.264 38.779 38.460 0.093 0.000 1.015 816 Y HN 0.400 nan 8.280 nan 0.000 0.547 817 Q N -0.568 119.382 119.800 0.252 0.000 2.189 817 Q HA 0.386 4.732 4.340 0.010 0.000 0.223 817 Q C 0.607 176.795 176.000 0.312 0.000 0.828 817 Q CA 0.017 55.973 55.803 0.254 0.000 0.967 817 Q CB 0.252 29.134 28.738 0.240 0.000 1.139 817 Q HN 0.152 nan 8.270 nan 0.000 0.497 818 A N 1.891 124.915 122.820 0.340 0.000 2.520 818 A HA 0.119 4.445 4.320 0.010 0.000 0.235 818 A C -0.084 177.789 177.584 0.481 0.000 1.065 818 A CA 0.235 52.532 52.037 0.433 0.000 0.764 818 A CB 0.275 19.557 19.000 0.469 0.000 1.002 818 A HN 0.297 nan 8.150 nan 0.000 0.502 819 E N 0.513 120.930 120.200 0.362 0.000 2.183 819 E HA 0.485 4.841 4.350 0.010 0.000 0.271 819 E C -0.233 176.350 176.600 -0.028 0.000 0.919 819 E CA -0.505 56.035 56.400 0.234 0.000 0.781 819 E CB 1.950 31.742 29.700 0.153 0.000 1.140 819 E HN 0.770 nan 8.360 nan 0.000 0.402 820 A N 2.017 124.735 122.820 -0.171 0.000 2.492 820 A HA 0.445 4.771 4.320 0.010 0.000 0.254 820 A C -0.052 177.384 177.584 -0.247 0.000 1.091 820 A CA 0.077 51.715 52.037 -0.664 0.000 0.768 820 A CB 0.082 18.943 19.000 -0.232 0.000 1.028 820 A HN 0.538 nan 8.150 nan 0.000 0.498 821 A N 3.066 125.715 122.820 -0.284 0.000 2.291 821 A HA 0.570 4.897 4.320 0.010 0.000 0.311 821 A C -0.453 177.030 177.584 -0.169 0.000 1.224 821 A CA -0.571 51.387 52.037 -0.131 0.000 0.821 821 A CB 0.484 19.433 19.000 -0.086 0.000 1.172 821 A HN 1.139 nan 8.150 nan 0.000 0.494 822 L N 3.191 124.288 121.223 -0.211 0.000 2.410 822 L HA 0.275 4.621 4.340 0.010 0.000 0.273 822 L C 0.564 177.281 176.870 -0.255 0.000 1.144 822 L CA 0.382 54.971 54.840 -0.417 0.000 0.863 822 L CB 0.277 42.122 42.059 -0.357 0.000 1.140 822 L HN 0.772 nan 8.230 nan 0.000 0.463 823 L N 3.440 124.512 121.223 -0.253 0.000 2.537 823 L HA 0.318 4.665 4.340 0.010 0.000 0.224 823 L C 0.446 177.249 176.870 -0.112 0.000 1.065 823 L CA 0.025 54.789 54.840 -0.127 0.000 0.860 823 L CB 0.001 42.022 42.059 -0.063 0.000 1.086 823 L HN 0.744 nan 8.230 nan 0.000 0.482 824 Q N -0.442 119.264 119.800 -0.156 0.000 2.594 824 Q HA 0.346 4.692 4.340 0.010 0.000 0.278 824 Q C -2.134 173.803 176.000 -0.106 0.000 0.961 824 Q CA -0.613 55.135 55.803 -0.093 0.000 0.844 824 Q CB 2.945 31.659 28.738 -0.040 0.000 1.475 824 Q HN 0.031 nan 8.270 nan 0.000 0.389 825 C N 2.698 121.976 119.300 -0.037 0.000 2.833 825 C HA 0.820 5.286 4.460 0.010 0.000 0.383 825 C C -1.121 173.959 174.990 0.150 0.000 1.058 825 C CA 0.700 59.732 59.018 0.024 0.000 1.259 825 C CB 0.707 28.431 27.740 -0.026 0.000 1.726 825 C HN 0.878 nan 8.230 nan 0.000 0.484 826 T N 2.373 117.012 114.554 0.141 0.000 2.843 826 T HA 0.893 5.249 4.350 0.010 0.000 0.302 826 T C -0.728 173.875 174.700 -0.160 0.000 1.232 826 T CA -0.184 61.980 62.100 0.106 0.000 1.009 826 T CB 1.787 70.663 68.868 0.014 0.000 1.254 826 T HN 1.871 nan 8.240 nan 0.000 0.504 827 A N 1.295 123.839 122.820 -0.459 0.000 2.356 827 A HA 0.766 5.092 4.320 0.010 0.000 0.310 827 A C -1.237 176.117 177.584 -0.383 0.000 1.075 827 A CA -0.682 50.942 52.037 -0.688 0.000 0.746 827 A CB 1.190 19.238 19.000 -1.586 0.000 1.221 827 A HN 0.842 nan 8.150 nan 0.000 0.443 828 D N 1.072 121.307 120.400 -0.275 0.000 2.671 828 D HA 0.567 5.213 4.640 0.010 0.000 0.232 828 D C -0.994 175.220 176.300 -0.144 0.000 1.114 828 D CA 0.053 53.952 54.000 -0.168 0.000 0.858 828 D CB 2.418 43.150 40.800 -0.114 0.000 1.544 828 D HN 0.444 nan 8.370 nan 0.000 0.471 829 T N 1.413 115.908 114.554 -0.099 0.000 2.770 829 T HA 0.482 4.838 4.350 0.010 0.000 0.283 829 T C 0.616 175.288 174.700 -0.047 0.000 0.988 829 T CA -0.624 61.435 62.100 -0.068 0.000 0.957 829 T CB 1.040 69.880 68.868 -0.046 0.000 0.930 829 T HN 0.102 nan 8.240 nan 0.000 0.443 830 L N 1.540 122.737 121.223 -0.043 0.000 2.440 830 L HA 0.573 4.919 4.340 0.010 0.000 0.262 830 L C 2.049 178.907 176.870 -0.020 0.000 1.072 830 L CA -1.143 53.678 54.840 -0.032 0.000 0.798 830 L CB 0.238 42.276 42.059 -0.036 0.000 1.307 830 L HN 0.739 nan 8.230 nan 0.000 0.475 831 A N 1.000 123.810 122.820 -0.018 0.000 1.849 831 A HA -0.212 4.115 4.320 0.010 0.000 0.217 831 A C 1.256 178.832 177.584 -0.012 0.000 1.202 831 A CA 2.222 54.252 52.037 -0.012 0.000 0.629 831 A CB -0.584 18.408 19.000 -0.013 0.000 0.834 831 A HN 0.918 nan 8.150 nan 0.000 0.447 832 D N -1.744 118.645 120.400 -0.019 0.000 2.501 832 D HA 0.569 5.215 4.640 0.010 0.000 0.226 832 D C 0.037 176.320 176.300 -0.029 0.000 1.198 832 D CA 0.659 54.646 54.000 -0.022 0.000 0.830 832 D CB -0.054 40.730 40.800 -0.027 0.000 1.014 832 D HN 0.590 nan 8.370 nan 0.000 0.496 833 A N -0.840 121.960 122.820 -0.032 0.000 2.511 833 A HA 0.608 4.935 4.320 0.010 0.000 0.293 833 A C -1.780 175.770 177.584 -0.057 0.000 1.098 833 A CA -0.716 51.292 52.037 -0.048 0.000 0.643 833 A CB 1.110 20.077 19.000 -0.056 0.000 1.302 833 A HN 0.025 nan 8.150 nan 0.000 0.446 834 V N 0.254 120.119 119.914 -0.083 0.000 2.555 834 V HA 0.704 4.831 4.120 0.010 0.000 0.302 834 V C -1.071 174.944 176.094 -0.133 0.000 1.038 834 V CA -0.494 61.741 62.300 -0.108 0.000 0.887 834 V CB 1.432 33.194 31.823 -0.102 0.000 0.991 834 V HN 0.850 nan 8.190 nan 0.000 0.434 835 L N 5.724 126.857 121.223 -0.150 0.000 2.356 835 L HA 0.661 5.008 4.340 0.010 0.000 0.277 835 L C -0.917 175.836 176.870 -0.195 0.000 0.996 835 L CA -0.139 54.619 54.840 -0.136 0.000 0.822 835 L CB 1.528 43.529 42.059 -0.097 0.000 1.256 835 L HN 0.420 nan 8.230 nan 0.000 0.413 836 I N 3.890 124.343 120.570 -0.195 0.000 2.378 836 I HA 0.445 4.622 4.170 0.010 0.000 0.291 836 I C -0.107 175.998 176.117 -0.020 0.000 0.992 836 I CA -0.298 60.848 61.300 -0.257 0.000 1.154 836 I CB 1.580 39.168 38.000 -0.686 0.000 1.315 836 I HN 0.529 nan 8.210 nan 0.000 0.448 837 T N 4.950 119.495 114.554 -0.015 0.000 2.812 837 T HA 0.622 4.978 4.350 0.010 0.000 0.282 837 T C 0.195 174.946 174.700 0.085 0.000 0.990 837 T CA -0.502 61.633 62.100 0.057 0.000 0.960 837 T CB 1.710 70.587 68.868 0.015 0.000 0.948 837 T HN 0.790 nan 8.240 nan 0.000 0.438 838 T N -0.257 114.390 114.554 0.155 0.000 2.901 838 T HA 0.905 5.261 4.350 0.010 0.000 0.293 838 T C -1.125 173.649 174.700 0.123 0.000 1.084 838 T CA -1.079 61.098 62.100 0.127 0.000 1.008 838 T CB 2.065 71.085 68.868 0.253 0.000 1.170 838 T HN 0.789 nan 8.240 nan 0.000 0.509 839 A N 1.246 124.070 122.820 0.007 0.000 2.488 839 A HA 0.720 5.046 4.320 0.010 0.000 0.295 839 A C -1.560 175.960 177.584 -0.105 0.000 1.045 839 A CA -0.785 51.292 52.037 0.067 0.000 0.703 839 A CB 0.873 19.907 19.000 0.057 0.000 1.271 839 A HN 1.004 nan 8.150 nan 0.000 0.400 840 H N 0.078 119.197 119.070 0.081 0.000 2.821 840 H HA 0.795 5.357 4.556 0.010 0.000 0.373 840 H C -0.047 175.282 175.328 0.002 0.000 1.165 840 H CA 0.295 56.302 56.048 -0.067 0.000 1.154 840 H CB 2.163 31.767 29.762 -0.263 0.000 1.765 840 H HN 1.020 nan 8.280 nan 0.000 0.549 841 A N 1.890 124.709 122.820 -0.002 0.000 2.330 841 A HA 0.391 4.717 4.320 0.010 0.000 0.313 841 A C -1.326 176.242 177.584 -0.027 0.000 1.124 841 A CA -0.691 51.393 52.037 0.079 0.000 0.774 841 A CB 0.937 19.969 19.000 0.053 0.000 1.198 841 A HN 0.567 nan 8.150 nan 0.000 0.465 842 W N 2.359 123.772 121.300 0.187 0.000 2.314 842 W HA 0.439 5.106 4.660 0.011 0.000 0.310 842 W C -0.391 176.157 176.519 0.047 0.000 1.075 842 W CA -0.055 57.398 57.345 0.180 0.000 1.253 842 W CB 1.571 31.213 29.460 0.304 0.000 1.238 842 W HN 0.782 nan 8.180 nan 0.000 0.440 843 Q N 1.558 121.490 119.800 0.221 0.000 2.451 843 Q HA 0.436 4.782 4.340 0.010 0.000 0.281 843 Q C -0.917 175.220 176.000 0.228 0.000 1.099 843 Q CA -0.866 55.029 55.803 0.154 0.000 0.806 843 Q CB 3.609 32.393 28.738 0.077 0.000 1.419 843 Q HN 0.378 nan 8.270 nan 0.000 0.427 844 H N 1.415 120.524 119.070 0.065 0.000 2.934 844 H HA 0.115 4.677 4.556 0.010 0.000 0.340 844 H C -0.878 174.485 175.328 0.058 0.000 1.008 844 H CA -0.163 55.934 56.048 0.082 0.000 1.317 844 H CB 1.140 30.960 29.762 0.097 0.000 1.670 844 H HN 0.856 nan 8.280 nan 0.000 0.516 845 Q N 3.149 122.635 119.800 -0.524 0.000 2.453 845 Q HA -0.237 4.109 4.340 0.010 0.000 0.294 845 Q C 0.870 176.798 176.000 -0.119 0.000 1.295 845 Q CA 1.073 56.672 55.803 -0.341 0.000 0.853 845 Q CB -1.340 27.169 28.738 -0.382 0.000 1.193 845 Q HN 1.180 nan 8.270 nan 0.000 0.461 846 G N -0.389 108.372 108.800 -0.064 0.000 2.179 846 G HA2 -0.352 3.614 3.960 0.010 0.000 0.260 846 G HA3 -0.352 3.614 3.960 0.010 0.000 0.260 846 G C -0.049 174.852 174.900 0.001 0.000 0.977 846 G CA 0.554 45.641 45.100 -0.022 0.000 0.641 846 G HN 0.299 nan 8.290 nan 0.000 0.533 847 K N 1.330 121.741 120.400 0.017 0.000 2.185 847 K HA 0.657 4.983 4.320 0.010 0.000 0.269 847 K C 0.023 176.636 176.600 0.022 0.000 0.987 847 K CA -0.268 56.036 56.287 0.029 0.000 0.865 847 K CB 0.974 33.506 32.500 0.054 0.000 1.090 847 K HN -0.021 nan 8.250 nan 0.000 0.450 848 T N 6.192 120.748 114.554 0.003 0.000 2.723 848 T HA 0.236 4.592 4.350 0.010 0.000 0.297 848 T C 1.066 175.706 174.700 -0.099 0.000 0.925 848 T CA -0.348 61.747 62.100 -0.008 0.000 1.030 848 T CB 0.298 69.180 68.868 0.023 0.000 0.905 848 T HN 0.542 nan 8.240 nan 0.000 0.502 849 L N 2.738 123.813 121.223 -0.246 0.000 2.130 849 L HA 0.332 4.678 4.340 0.010 0.000 0.200 849 L C -0.127 176.164 176.870 -0.965 0.000 1.075 849 L CA 0.920 55.322 54.840 -0.731 0.000 0.768 849 L CB 0.076 41.393 42.059 -1.236 0.000 0.933 849 L HN 0.528 nan 8.230 nan 0.000 0.451 850 F N -1.506 118.411 119.950 -0.055 0.000 2.645 850 F HA 0.565 5.098 4.527 0.010 0.000 0.310 850 F C -0.585 175.314 175.800 0.166 0.000 1.102 850 F CA -0.827 57.091 58.000 -0.137 0.000 0.952 850 F CB 1.756 40.289 39.000 -0.778 0.000 1.326 850 F HN -0.342 nan 8.300 nan 0.000 0.456 851 I N 1.349 122.146 120.570 0.378 0.000 2.498 851 I HA 0.454 4.630 4.170 0.010 0.000 0.290 851 I C -0.815 175.575 176.117 0.455 0.000 1.032 851 I CA -0.523 61.023 61.300 0.410 0.000 1.073 851 I CB 2.236 40.389 38.000 0.255 0.000 1.251 851 I HN 0.568 nan 8.210 nan 0.000 0.426 852 S N 6.495 122.549 115.700 0.591 0.000 2.502 852 S HA 0.656 5.132 4.470 0.010 0.000 0.304 852 S C -0.859 173.995 174.600 0.423 0.000 1.097 852 S CA -0.640 57.895 58.200 0.558 0.000 1.045 852 S CB 0.949 64.628 63.200 0.797 0.000 1.019 852 S HN 0.588 nan 8.310 nan 0.000 0.481 853 R N 3.186 123.861 120.500 0.291 0.000 2.532 853 R HA 0.549 4.896 4.340 0.010 0.000 0.297 853 R C -0.992 175.388 176.300 0.133 0.000 0.984 853 R CA -0.800 55.423 56.100 0.205 0.000 0.884 853 R CB 2.052 32.446 30.300 0.157 0.000 1.182 853 R HN 0.569 nan 8.270 nan 0.000 0.442 854 K N 0.754 121.227 120.400 0.121 0.000 2.466 854 K HA 0.557 4.883 4.320 0.010 0.000 0.260 854 K C -0.883 175.713 176.600 -0.006 0.000 1.011 854 K CA -0.982 55.301 56.287 -0.006 0.000 0.871 854 K CB 2.613 35.084 32.500 -0.048 0.000 1.404 854 K HN 0.647 nan 8.250 nan 0.000 0.450 855 T N -1.450 113.016 114.554 -0.146 0.000 2.952 855 T HA 0.523 4.879 4.350 0.010 0.000 0.305 855 T C -1.443 173.118 174.700 -0.232 0.000 1.064 855 T CA -0.785 61.274 62.100 -0.069 0.000 1.008 855 T CB 0.448 69.297 68.868 -0.032 0.000 1.078 855 T HN 0.390 nan 8.240 nan 0.000 0.459 856 Y N 1.206 121.475 120.300 -0.053 0.000 2.328 856 Y HA 0.672 5.228 4.550 0.010 0.000 0.336 856 Y C 0.607 176.432 175.900 -0.125 0.000 0.960 856 Y CA -1.200 56.871 58.100 -0.047 0.000 1.134 856 Y CB 1.672 40.109 38.460 -0.039 0.000 1.166 856 Y HN 0.511 nan 8.280 nan 0.000 0.464 857 R N 4.941 125.453 120.500 0.020 0.000 2.412 857 R HA 0.521 4.867 4.340 0.010 0.000 0.304 857 R C -1.714 174.529 176.300 -0.094 0.000 1.066 857 R CA -0.475 55.597 56.100 -0.047 0.000 0.923 857 R CB 0.533 30.815 30.300 -0.030 0.000 1.156 857 R HN 0.817 nan 8.270 nan 0.000 0.513 858 I N 4.587 125.051 120.570 -0.177 0.000 2.321 858 I HA 0.181 4.357 4.170 0.010 0.000 0.291 858 I C 0.506 176.518 176.117 -0.174 0.000 0.998 858 I CA -0.531 60.595 61.300 -0.291 0.000 1.227 858 I CB 1.357 38.982 38.000 -0.626 0.000 1.368 858 I HN 0.526 nan 8.210 nan 0.000 0.466 859 D N 4.620 124.952 120.400 -0.114 0.000 2.569 859 D HA 0.198 4.844 4.640 0.010 0.000 0.266 859 D C 1.121 177.409 176.300 -0.020 0.000 1.164 859 D CA -0.707 53.259 54.000 -0.056 0.000 1.071 859 D CB 1.467 42.248 40.800 -0.033 0.000 1.183 859 D HN 0.529 nan 8.370 nan 0.000 0.613 860 G N -1.023 107.772 108.800 -0.008 0.000 2.708 860 G HA2 -0.152 3.814 3.960 0.010 0.000 0.210 860 G HA3 -0.152 3.814 3.960 0.010 0.000 0.210 860 G C 1.181 176.116 174.900 0.060 0.000 1.141 860 G CA 0.953 46.065 45.100 0.019 0.000 0.788 860 G HN 0.512 nan 8.290 nan 0.000 0.531 861 S N -1.165 114.564 115.700 0.048 0.000 2.556 861 S HA 0.384 4.860 4.470 0.010 0.000 0.216 861 S C 1.801 176.469 174.600 0.114 0.000 0.970 861 S CA 0.927 59.176 58.200 0.082 0.000 0.912 861 S CB 0.074 63.306 63.200 0.053 0.000 0.790 861 S HN 1.379 nan 8.310 nan 0.000 0.504 862 G N 0.948 109.825 108.800 0.127 0.000 2.157 862 G HA2 -0.199 3.768 3.960 0.010 0.000 0.248 862 G HA3 -0.199 3.768 3.960 0.010 0.000 0.248 862 G C -0.211 174.814 174.900 0.209 0.000 0.979 862 G CA 0.104 45.343 45.100 0.233 0.000 0.650 862 G HN 0.583 nan 8.290 nan 0.000 0.529 863 Q N -0.050 119.810 119.800 0.099 0.000 2.274 863 Q HA 0.530 4.876 4.340 0.010 0.000 0.256 863 Q C 0.199 176.204 176.000 0.008 0.000 0.927 863 Q CA -0.292 55.567 55.803 0.094 0.000 0.939 863 Q CB 1.648 30.438 28.738 0.087 0.000 1.201 863 Q HN 0.539 nan 8.270 nan 0.000 0.426 864 M N 2.206 121.836 119.600 0.050 0.000 2.080 864 M HA 0.461 4.947 4.480 0.010 0.000 0.350 864 M C -1.085 175.282 176.300 0.111 0.000 1.173 864 M CA -0.461 54.831 55.300 -0.014 0.000 1.052 864 M CB 0.807 33.378 32.600 -0.049 0.000 1.577 864 M HN 0.660 nan 8.290 nan 0.000 0.455 865 A N 7.430 130.287 122.820 0.062 0.000 2.258 865 A HA 0.627 4.954 4.320 0.010 0.000 0.316 865 A C -0.696 176.906 177.584 0.030 0.000 1.279 865 A CA -0.707 51.375 52.037 0.074 0.000 0.876 865 A CB 0.165 19.192 19.000 0.045 0.000 1.170 865 A HN 0.925 nan 8.150 nan 0.000 0.520 866 I N 2.605 123.191 120.570 0.026 0.000 2.304 866 I HA 0.279 4.455 4.170 0.010 0.000 0.291 866 I C -0.076 175.933 176.117 -0.180 0.000 1.018 866 I CA -0.107 61.112 61.300 -0.135 0.000 1.260 866 I CB 1.523 39.471 38.000 -0.086 0.000 1.390 866 I HN 0.453 nan 8.210 nan 0.000 0.475 867 T N 6.139 120.550 114.554 -0.239 0.000 2.758 867 T HA 0.501 4.857 4.350 0.010 0.000 0.285 867 T C -0.147 174.342 174.700 -0.351 0.000 0.981 867 T CA -0.446 61.510 62.100 -0.240 0.000 0.965 867 T CB 1.610 70.432 68.868 -0.077 0.000 0.927 867 T HN 0.244 nan 8.240 nan 0.000 0.448 868 V N 3.885 123.445 119.914 -0.590 0.000 2.540 868 V HA 0.498 4.625 4.120 0.010 0.000 0.302 868 V C -0.593 175.306 176.094 -0.324 0.000 1.035 868 V CA -0.939 61.046 62.300 -0.525 0.000 0.873 868 V CB 1.995 33.281 31.823 -0.895 0.000 0.992 868 V HN 0.843 nan 8.190 nan 0.000 0.428 869 D N 3.396 123.789 120.400 -0.012 0.000 2.593 869 D HA 0.572 5.218 4.640 0.010 0.000 0.251 869 D C -1.042 175.386 176.300 0.215 0.000 1.140 869 D CA -0.128 53.970 54.000 0.165 0.000 0.855 869 D CB 2.890 43.821 40.800 0.218 0.000 1.267 869 D HN 0.267 nan 8.370 nan 0.000 0.532 870 V N 1.995 122.071 119.914 0.270 0.000 2.864 870 V HA 0.348 4.474 4.120 0.010 0.000 0.314 870 V C -0.159 176.081 176.094 0.243 0.000 1.073 870 V CA -0.775 61.700 62.300 0.290 0.000 0.956 870 V CB 2.642 34.676 31.823 0.352 0.000 1.023 870 V HN 0.385 nan 8.190 nan 0.000 0.435 871 E N 2.005 122.339 120.200 0.224 0.000 2.187 871 E HA 0.642 4.998 4.350 0.010 0.000 0.268 871 E C -1.645 175.077 176.600 0.204 0.000 0.896 871 E CA -0.686 55.823 56.400 0.181 0.000 0.766 871 E CB 2.670 32.456 29.700 0.143 0.000 1.142 871 E HN 0.370 nan 8.360 nan 0.000 0.408 872 V N 1.774 121.811 119.914 0.205 0.000 2.409 872 V HA 0.395 4.521 4.120 0.010 0.000 0.291 872 V C 0.221 176.407 176.094 0.154 0.000 1.020 872 V CA -1.000 61.446 62.300 0.244 0.000 0.848 872 V CB 1.391 33.400 31.823 0.310 0.000 0.990 872 V HN 0.851 nan 8.190 nan 0.000 0.430 873 A N 3.555 126.414 122.820 0.064 0.000 2.567 873 A HA 0.262 4.588 4.320 0.010 0.000 0.240 873 A C 1.646 179.297 177.584 0.113 0.000 1.053 873 A CA 0.629 52.697 52.037 0.052 0.000 0.755 873 A CB 0.213 19.206 19.000 -0.012 0.000 0.978 873 A HN 1.366 nan 8.150 nan 0.000 0.507 874 S N 1.282 117.046 115.700 0.106 0.000 2.419 874 S HA -0.159 4.317 4.470 0.010 0.000 0.233 874 S C 0.842 175.517 174.600 0.126 0.000 1.016 874 S CA 1.328 59.609 58.200 0.135 0.000 0.974 874 S CB -0.329 62.931 63.200 0.099 0.000 0.786 874 S HN 0.815 nan 8.310 nan 0.000 0.492 875 D N 0.462 120.910 120.400 0.081 0.000 2.325 875 D HA 0.175 4.821 4.640 0.010 0.000 0.225 875 D C 0.405 176.737 176.300 0.053 0.000 1.096 875 D CA -0.004 54.029 54.000 0.055 0.000 0.844 875 D CB -0.347 40.473 40.800 0.034 0.000 0.925 875 D HN 0.309 nan 8.370 nan 0.000 0.513 876 T N 1.207 115.818 114.554 0.094 0.000 2.929 876 T HA 0.427 4.783 4.350 0.010 0.000 0.284 876 T C -2.646 172.155 174.700 0.168 0.000 1.014 876 T CA -2.113 60.069 62.100 0.136 0.000 1.051 876 T CB 1.238 70.207 68.868 0.169 0.000 1.028 876 T HN -0.166 nan 8.240 nan 0.000 0.485 877 P HA 0.092 nan 4.420 nan 0.000 0.266 877 P C -0.691 176.886 177.300 0.462 0.000 1.195 877 P CA 0.061 63.249 63.100 0.147 0.000 0.768 877 P CB -0.081 31.690 31.700 0.119 0.000 0.838 878 H N 3.432 122.864 119.070 0.603 0.000 3.070 878 H HA 0.069 4.632 4.556 0.010 0.000 0.313 878 H C -1.554 174.118 175.328 0.574 0.000 0.997 878 H CA -1.289 55.063 56.048 0.505 0.000 1.438 878 H CB -0.607 29.384 29.762 0.382 0.000 1.455 878 H HN 0.385 nan 8.280 nan 0.000 0.575 879 P HA -0.018 nan 4.420 nan 0.000 0.272 879 P C 0.232 177.448 177.300 -0.139 0.000 1.230 879 P CA -0.243 62.924 63.100 0.111 0.000 0.788 879 P CB 0.994 32.582 31.700 -0.185 0.000 0.949 880 A N 3.002 125.484 122.820 -0.563 0.000 1.969 880 A HA -0.092 4.234 4.320 0.010 0.000 0.218 880 A C 0.996 178.184 177.584 -0.660 0.000 1.169 880 A CA 1.349 52.997 52.037 -0.649 0.000 0.635 880 A CB -0.542 17.817 19.000 -1.070 0.000 0.810 880 A HN 0.758 nan 8.150 nan 0.000 0.445 881 R N -2.497 117.653 120.500 -0.584 0.000 2.728 881 R HA 0.641 4.988 4.340 0.010 0.000 0.274 881 R C -1.689 174.364 176.300 -0.412 0.000 1.032 881 R CA -0.848 54.915 56.100 -0.561 0.000 0.866 881 R CB 0.720 30.654 30.300 -0.610 0.000 1.263 881 R HN -0.050 nan 8.270 nan 0.000 0.475 882 I N 1.437 121.807 120.570 -0.334 0.000 2.493 882 I HA 0.652 4.828 4.170 0.010 0.000 0.279 882 I C -0.295 175.617 176.117 -0.341 0.000 1.045 882 I CA -0.236 60.912 61.300 -0.254 0.000 1.106 882 I CB 1.058 38.991 38.000 -0.112 0.000 1.216 882 I HN 1.016 nan 8.210 nan 0.000 0.459 883 G N 6.140 114.679 108.800 -0.434 0.000 2.753 883 G HA2 0.776 4.743 3.960 0.010 0.000 0.303 883 G HA3 0.776 4.743 3.960 0.010 0.000 0.303 883 G C -1.594 173.136 174.900 -0.283 0.000 1.242 883 G CA -0.510 44.377 45.100 -0.354 0.000 0.810 883 G HN 0.297 nan 8.290 nan 0.000 0.515 884 L N 0.653 121.763 121.223 -0.187 0.000 2.327 884 L HA 0.677 5.023 4.340 0.010 0.000 0.258 884 L C -0.805 175.971 176.870 -0.157 0.000 1.024 884 L CA -1.162 53.591 54.840 -0.145 0.000 0.825 884 L CB 2.523 44.586 42.059 0.007 0.000 1.386 884 L HN 0.814 nan 8.230 nan 0.000 0.417 885 N N 0.357 118.994 118.700 -0.105 0.000 2.708 885 N HA 0.704 5.450 4.740 0.010 0.000 0.257 885 N C -1.297 174.249 175.510 0.060 0.000 1.373 885 N CA -0.567 52.462 53.050 -0.034 0.000 0.843 885 N CB 2.302 40.770 38.487 -0.032 0.000 1.503 885 N HN 0.893 nan 8.380 nan 0.000 0.504 886 C N -1.559 117.810 119.300 0.115 0.000 3.303 886 C HA 0.552 5.018 4.460 0.010 0.000 0.340 886 C C -1.178 173.687 174.990 -0.208 0.000 1.274 886 C CA -0.844 58.191 59.018 0.027 0.000 1.234 886 C CB 0.950 28.714 27.740 0.041 0.000 1.532 886 C HN 0.862 nan 8.230 nan 0.000 0.483 887 Q N 1.375 120.776 119.800 -0.667 0.000 2.331 887 Q HA 0.656 5.002 4.340 0.010 0.000 0.257 887 Q C -0.984 174.719 176.000 -0.496 0.000 0.957 887 Q CA -0.397 54.761 55.803 -1.075 0.000 0.923 887 Q CB 0.870 28.589 28.738 -1.699 0.000 1.212 887 Q HN 0.757 nan 8.270 nan 0.000 0.443 888 L N 2.678 123.710 121.223 -0.319 0.000 2.371 888 L HA 0.268 4.614 4.340 0.010 0.000 0.272 888 L C 1.200 177.993 176.870 -0.129 0.000 1.124 888 L CA -0.227 54.542 54.840 -0.118 0.000 0.816 888 L CB 1.002 43.089 42.059 0.046 0.000 1.129 888 L HN 0.835 nan 8.230 nan 0.000 0.448 889 A N 2.324 125.096 122.820 -0.080 0.000 1.902 889 A HA -0.154 4.172 4.320 0.010 0.000 0.217 889 A C 1.170 178.733 177.584 -0.034 0.000 1.181 889 A CA 0.869 52.856 52.037 -0.083 0.000 0.623 889 A CB -0.348 18.602 19.000 -0.083 0.000 0.818 889 A HN 0.800 nan 8.150 nan 0.000 0.443 890 Q N -0.216 119.603 119.800 0.031 0.000 2.373 890 Q HA 0.424 4.770 4.340 0.010 0.000 0.255 890 Q C -1.229 174.835 176.000 0.106 0.000 0.980 890 Q CA 0.124 55.957 55.803 0.051 0.000 0.882 890 Q CB 0.890 29.686 28.738 0.096 0.000 1.249 890 Q HN 0.158 nan 8.270 nan 0.000 0.438 891 V N 3.273 123.207 119.914 0.034 0.000 2.447 891 V HA 0.743 4.869 4.120 0.010 0.000 0.292 891 V C -0.621 175.445 176.094 -0.046 0.000 1.021 891 V CA -0.388 61.957 62.300 0.075 0.000 0.850 891 V CB 0.939 32.788 31.823 0.043 0.000 1.005 891 V HN 0.908 nan 8.190 nan 0.000 0.426 892 A N 3.060 125.793 122.820 -0.144 0.000 2.322 892 A HA 0.758 5.084 4.320 0.010 0.000 0.327 892 A C 0.651 178.250 177.584 0.026 0.000 1.134 892 A CA -0.465 51.431 52.037 -0.236 0.000 0.831 892 A CB 1.271 19.904 19.000 -0.611 0.000 1.288 892 A HN 0.812 nan 8.150 nan 0.000 0.472 893 E N -0.118 120.093 120.200 0.018 0.000 2.158 893 E HA -0.022 4.335 4.350 0.010 0.000 0.191 893 E C 0.267 176.942 176.600 0.125 0.000 0.982 893 E CA 0.822 57.263 56.400 0.069 0.000 0.823 893 E CB 0.174 29.896 29.700 0.037 0.000 0.766 893 E HN 0.532 nan 8.360 nan 0.000 0.468 894 R N -0.246 120.342 120.500 0.147 0.000 2.867 894 R HA 0.568 4.915 4.340 0.010 0.000 0.268 894 R C -1.144 175.345 176.300 0.316 0.000 1.014 894 R CA -0.833 55.386 56.100 0.199 0.000 0.946 894 R CB 2.116 32.500 30.300 0.140 0.000 1.208 894 R HN -0.194 nan 8.270 nan 0.000 0.477 895 V N 1.563 121.679 119.914 0.336 0.000 2.577 895 V HA 0.346 4.472 4.120 0.010 0.000 0.303 895 V C -0.582 175.793 176.094 0.468 0.000 1.042 895 V CA -0.948 61.593 62.300 0.401 0.000 0.872 895 V CB 1.810 33.828 31.823 0.324 0.000 0.998 895 V HN 0.717 nan 8.190 nan 0.000 0.423 896 N N 4.284 123.232 118.700 0.413 0.000 2.284 896 N HA 0.577 5.323 4.740 0.010 0.000 0.300 896 N C -1.359 174.399 175.510 0.414 0.000 1.047 896 N CA -0.436 52.806 53.050 0.321 0.000 0.821 896 N CB 2.868 41.439 38.487 0.141 0.000 1.337 896 N HN 0.817 nan 8.380 nan 0.000 0.482 897 W N 2.768 124.090 121.300 0.036 0.000 3.137 897 W HA 0.560 5.226 4.660 0.010 0.000 0.324 897 W C -2.009 174.448 176.519 -0.104 0.000 1.253 897 W CA -1.114 56.224 57.345 -0.012 0.000 1.183 897 W CB 0.682 30.153 29.460 0.018 0.000 1.424 897 W HN 0.222 nan 8.180 nan 0.000 0.566 898 L N 4.071 125.269 121.223 -0.041 0.000 2.321 898 L HA 0.880 5.226 4.340 0.010 0.000 0.272 898 L C -0.013 176.628 176.870 -0.381 0.000 1.050 898 L CA 0.349 54.988 54.840 -0.334 0.000 0.893 898 L CB 0.321 42.288 42.059 -0.152 0.000 1.272 898 L HN 0.980 nan 8.230 nan 0.000 0.435 899 G N 3.300 111.733 108.800 -0.610 0.000 2.348 899 G HA2 0.214 4.180 3.960 0.010 0.000 0.296 899 G HA3 0.214 4.180 3.960 0.010 0.000 0.296 899 G C -1.490 173.364 174.900 -0.077 0.000 1.258 899 G CA -1.057 43.811 45.100 -0.387 0.000 0.868 899 G HN 0.345 nan 8.290 nan 0.000 0.488 900 L N 1.141 122.464 121.223 0.165 0.000 2.455 900 L HA 0.541 4.888 4.340 0.010 0.000 0.272 900 L C 1.124 178.048 176.870 0.090 0.000 1.174 900 L CA 0.987 55.908 54.840 0.136 0.000 0.869 900 L CB 0.274 42.367 42.059 0.057 0.000 1.130 900 L HN 1.184 nan 8.230 nan 0.000 0.474 901 G N 2.990 111.582 108.800 -0.346 0.000 2.348 901 G HA2 0.227 4.193 3.960 0.010 0.000 0.296 901 G HA3 0.227 4.193 3.960 0.010 0.000 0.296 901 G C -2.736 171.253 174.900 -1.519 0.000 1.258 901 G CA -0.268 44.323 45.100 -0.848 0.000 0.868 901 G HN 0.302 nan 8.290 nan 0.000 0.488 902 P HA 0.069 nan 4.420 nan 0.000 0.227 902 P C 0.478 177.601 177.300 -0.295 0.000 1.161 902 P CA 0.712 63.202 63.100 -1.018 0.000 0.788 902 P CB 0.340 31.603 31.700 -0.729 0.000 0.822 903 Q N 0.425 120.031 119.800 -0.322 0.000 2.318 903 Q HA 0.173 4.519 4.340 0.010 0.000 0.222 903 Q C 0.386 176.260 176.000 -0.209 0.000 1.003 903 Q CA -0.743 54.940 55.803 -0.201 0.000 0.936 903 Q CB 0.615 29.253 28.738 -0.165 0.000 1.204 903 Q HN 0.120 nan 8.270 nan 0.000 0.524 904 E N 1.325 121.411 120.200 -0.191 0.000 2.568 904 E HA -0.141 4.215 4.350 0.010 0.000 0.262 904 E C -1.147 175.340 176.600 -0.190 0.000 0.961 904 E CA 0.342 56.613 56.400 -0.215 0.000 0.945 904 E CB 0.209 29.846 29.700 -0.104 0.000 0.924 904 E HN 0.613 nan 8.360 nan 0.000 0.467 905 N N 2.804 121.311 118.700 -0.322 0.000 2.371 905 N HA 0.287 5.033 4.740 0.010 0.000 0.280 905 N C -1.877 173.344 175.510 -0.482 0.000 1.084 905 N CA -0.667 52.239 53.050 -0.241 0.000 0.892 905 N CB 0.678 39.059 38.487 -0.175 0.000 1.653 905 N HN 0.236 nan 8.380 nan 0.000 0.480 906 Y N 0.483 120.673 120.300 -0.183 0.000 2.650 906 Y HA 0.531 5.087 4.550 0.010 0.000 0.331 906 Y C -1.543 174.272 175.900 -0.142 0.000 1.082 906 Y CA -2.089 55.889 58.100 -0.204 0.000 1.171 906 Y CB 1.520 39.852 38.460 -0.214 0.000 1.326 906 Y HN 0.435 nan 8.280 nan 0.000 0.513 907 P HA -0.138 nan 4.420 nan 0.000 0.215 907 P C 0.255 177.450 177.300 -0.175 0.000 1.153 907 P CA 1.952 65.093 63.100 0.069 0.000 0.853 907 P CB 0.192 32.053 31.700 0.268 0.000 0.788 908 D N -2.166 117.916 120.400 -0.530 0.000 2.340 908 D HA 0.011 4.657 4.640 0.010 0.000 0.217 908 D C 0.764 176.891 176.300 -0.288 0.000 1.081 908 D CA 0.103 53.552 54.000 -0.920 0.000 0.842 908 D CB -0.280 39.850 40.800 -1.115 0.000 0.934 908 D HN 0.121 nan 8.370 nan 0.000 0.511 909 R N 1.126 121.561 120.500 -0.108 0.000 2.638 909 R HA 0.195 4.541 4.340 0.010 0.000 0.261 909 R C -0.647 175.666 176.300 0.021 0.000 1.515 909 R CA -0.173 55.927 56.100 -0.000 0.000 1.623 909 R CB 0.082 30.392 30.300 0.017 0.000 1.347 909 R HN 0.093 nan 8.270 nan 0.000 0.705 910 L N -1.688 119.556 121.223 0.034 0.000 3.410 910 L HA 0.333 4.679 4.340 0.010 0.000 0.309 910 L C 1.279 178.186 176.870 0.062 0.000 1.254 910 L CA 0.087 54.944 54.840 0.028 0.000 1.048 910 L CB 0.003 42.066 42.059 0.006 0.000 1.442 910 L HN 0.082 nan 8.230 nan 0.000 0.615 911 T N -2.651 111.968 114.554 0.109 0.000 2.833 911 T HA -0.016 4.340 4.350 0.010 0.000 0.269 911 T C 1.835 176.520 174.700 -0.025 0.000 1.054 911 T CA 1.368 63.550 62.100 0.136 0.000 1.135 911 T CB -0.363 68.662 68.868 0.261 0.000 0.869 911 T HN 0.388 nan 8.240 nan 0.000 0.466 912 A N 1.979 124.782 122.820 -0.028 0.000 1.968 912 A HA 0.576 4.902 4.320 0.010 0.000 0.217 912 A C 1.717 179.340 177.584 0.065 0.000 1.169 912 A CA 0.729 52.702 52.037 -0.106 0.000 0.638 912 A CB -1.100 17.998 19.000 0.163 0.000 0.812 912 A HN 0.863 nan 8.150 nan 0.000 0.446 913 A N -1.206 121.609 122.820 -0.010 0.000 2.386 913 A HA 0.435 4.761 4.320 0.010 0.000 0.248 913 A C 0.064 177.645 177.584 -0.006 0.000 1.082 913 A CA -0.046 51.949 52.037 -0.070 0.000 0.789 913 A CB -0.132 18.801 19.000 -0.112 0.000 1.025 913 A HN 0.495 nan 8.150 nan 0.000 0.490 914 C N 0.562 119.840 119.300 -0.037 0.000 2.435 914 C HA 0.568 5.034 4.460 0.010 0.000 0.333 914 C C -0.110 175.001 174.990 0.203 0.000 1.202 914 C CA -0.439 58.641 59.018 0.103 0.000 1.830 914 C CB 0.650 28.470 27.740 0.133 0.000 2.326 914 C HN 0.772 nan 8.230 nan 0.000 0.507 915 F N 3.780 123.658 119.950 -0.121 0.000 2.420 915 F HA 0.527 5.060 4.527 0.010 0.000 0.352 915 F C 0.343 175.871 175.800 -0.454 0.000 1.108 915 F CA 0.998 58.793 58.000 -0.342 0.000 1.162 915 F CB 0.078 38.440 39.000 -1.063 0.000 1.118 915 F HN 0.679 nan 8.300 nan 0.000 0.510 916 D N 3.237 123.079 120.400 -0.930 0.000 3.038 916 D HA 0.099 4.745 4.640 0.010 0.000 0.351 916 D C -1.696 173.745 176.300 -1.431 0.000 1.442 916 D CA -0.732 52.642 54.000 -1.043 0.000 0.802 916 D CB 1.229 41.355 40.800 -1.123 0.000 1.406 916 D HN 0.479 nan 8.370 nan 0.000 0.488 917 R N 0.810 120.502 120.500 -1.346 0.000 2.198 917 R HA 0.491 4.838 4.340 0.010 0.000 0.339 917 R C -1.389 174.073 176.300 -1.396 0.000 1.020 917 R CA -0.178 55.254 56.100 -1.114 0.000 0.864 917 R CB 0.165 30.102 30.300 -0.606 0.000 1.105 917 R HN 0.245 nan 8.270 nan 0.000 0.463 918 W N 3.041 123.790 121.300 -0.920 0.000 2.627 918 W HA 0.438 5.105 4.660 0.010 0.000 0.339 918 W C -0.438 175.616 176.519 -0.775 0.000 1.058 918 W CA -0.671 56.005 57.345 -1.114 0.000 1.223 918 W CB 1.672 29.918 29.460 -2.023 0.000 1.389 918 W HN 0.359 nan 8.180 nan 0.000 0.541 919 D N 3.192 123.485 120.400 -0.178 0.000 2.470 919 D HA 0.377 5.023 4.640 0.010 0.000 0.233 919 D C -1.454 174.918 176.300 0.119 0.000 1.372 919 D CA -0.110 53.905 54.000 0.025 0.000 0.994 919 D CB 0.885 41.668 40.800 -0.027 0.000 1.377 919 D HN 0.390 nan 8.370 nan 0.000 0.586 920 L N 2.651 124.025 121.223 0.250 0.000 2.303 920 L HA 0.609 4.956 4.340 0.010 0.000 0.256 920 L C -2.309 174.679 176.870 0.197 0.000 1.034 920 L CA -2.187 52.782 54.840 0.216 0.000 0.832 920 L CB 2.598 44.828 42.059 0.285 0.000 1.403 920 L HN 0.157 nan 8.230 nan 0.000 0.419 921 P HA 0.041 nan 4.420 nan 0.000 0.271 921 P C 0.583 177.968 177.300 0.141 0.000 1.216 921 P CA -0.349 62.826 63.100 0.126 0.000 0.776 921 P CB 1.074 32.828 31.700 0.090 0.000 0.881 922 L N 3.825 125.137 121.223 0.148 0.000 2.021 922 L HA -0.301 4.045 4.340 0.010 0.000 0.215 922 L C 2.346 179.273 176.870 0.095 0.000 1.074 922 L CA 2.902 57.821 54.840 0.132 0.000 0.760 922 L CB -1.552 40.596 42.059 0.149 0.000 0.889 922 L HN 0.468 nan 8.230 nan 0.000 0.433 923 S N -1.597 114.161 115.700 0.096 0.000 2.400 923 S HA -0.209 4.267 4.470 0.010 0.000 0.232 923 S C 1.593 176.269 174.600 0.127 0.000 1.025 923 S CA 1.268 59.539 58.200 0.118 0.000 0.993 923 S CB -0.902 62.360 63.200 0.104 0.000 0.808 923 S HN 0.551 nan 8.310 nan 0.000 0.478 924 D N 1.239 121.693 120.400 0.090 0.000 2.392 924 D HA 0.071 4.718 4.640 0.010 0.000 0.228 924 D C 1.209 177.524 176.300 0.025 0.000 1.003 924 D CA 0.584 54.617 54.000 0.054 0.000 0.917 924 D CB -0.159 40.682 40.800 0.069 0.000 0.890 924 D HN 0.433 nan 8.370 nan 0.000 0.532 925 M N -0.494 119.134 119.600 0.046 0.000 2.494 925 M HA 0.065 4.551 4.480 0.010 0.000 0.232 925 M C 0.014 176.329 176.300 0.025 0.000 1.137 925 M CA -0.041 55.244 55.300 -0.025 0.000 1.012 925 M CB -0.650 31.921 32.600 -0.049 0.000 1.567 925 M HN -0.046 nan 8.290 nan 0.000 0.486 926 Y N 0.289 120.556 120.300 -0.054 0.000 2.409 926 Y HA 0.482 5.038 4.550 0.011 0.000 0.343 926 Y C -0.796 175.059 175.900 -0.076 0.000 0.973 926 Y CA -0.890 57.193 58.100 -0.028 0.000 1.064 926 Y CB 1.348 39.854 38.460 0.078 0.000 1.207 926 Y HN -0.091 nan 8.280 nan 0.000 0.452 927 T N 8.713 122.800 114.554 -0.778 0.000 2.801 927 T HA 0.267 4.624 4.350 0.010 0.000 0.306 927 T C -2.660 171.239 174.700 -1.336 0.000 1.020 927 T CA -1.545 59.989 62.100 -0.943 0.000 0.948 927 T CB 0.935 69.316 68.868 -0.812 0.000 0.962 927 T HN 0.466 nan 8.240 nan 0.000 0.465 928 P HA 0.094 nan 4.420 nan 0.000 0.225 928 P C -0.576 176.594 177.300 -0.216 0.000 1.768 928 P CA -0.433 62.243 63.100 -0.707 0.000 0.943 928 P CB -0.764 30.681 31.700 -0.425 0.000 1.936 929 Y N -0.369 119.877 120.300 -0.091 0.000 2.712 929 Y HA -0.101 4.455 4.550 0.010 0.000 0.333 929 Y C 2.281 178.241 175.900 0.101 0.000 1.225 929 Y CA -0.475 57.629 58.100 0.006 0.000 1.499 929 Y CB 0.500 38.884 38.460 -0.126 0.000 1.288 929 Y HN -0.098 nan 8.280 nan 0.000 0.575 930 V N 3.253 123.399 119.914 0.386 0.000 2.343 930 V HA -0.296 3.830 4.120 0.010 0.000 0.247 930 V C 0.517 176.792 176.094 0.301 0.000 1.051 930 V CA 1.327 63.834 62.300 0.344 0.000 1.036 930 V CB -0.573 31.494 31.823 0.407 0.000 0.654 930 V HN 0.585 nan 8.190 nan 0.000 0.451 931 F N 3.482 123.482 119.950 0.084 0.000 2.404 931 F HA 0.524 5.057 4.527 0.011 0.000 0.358 931 F C -2.498 173.315 175.800 0.022 0.000 1.120 931 F CA -3.521 54.471 58.000 -0.013 0.000 1.144 931 F CB 0.752 39.645 39.000 -0.178 0.000 1.133 931 F HN -0.015 nan 8.300 nan 0.000 0.495 932 P HA 0.288 nan 4.420 nan 0.000 0.271 932 P C -1.169 175.866 177.300 -0.441 0.000 1.218 932 P CA -0.033 62.844 63.100 -0.372 0.000 0.780 932 P CB 1.309 32.821 31.700 -0.314 0.000 0.901 933 S N -0.187 115.427 115.700 -0.142 0.000 2.636 933 S HA 0.426 4.902 4.470 0.010 0.000 0.268 933 S C -0.821 173.776 174.600 -0.006 0.000 1.159 933 S CA -1.000 57.151 58.200 -0.081 0.000 0.815 933 S CB 0.421 63.598 63.200 -0.039 0.000 1.130 933 S HN 0.359 nan 8.310 nan 0.000 0.471 934 E N 1.177 121.379 120.200 0.003 0.000 2.653 934 E HA 0.293 4.649 4.350 0.010 0.000 0.264 934 E C -0.159 176.486 176.600 0.075 0.000 0.949 934 E CA 1.067 57.490 56.400 0.038 0.000 0.953 934 E CB -0.298 29.440 29.700 0.063 0.000 0.925 934 E HN 0.832 nan 8.360 nan 0.000 0.475 935 N N 1.467 120.245 118.700 0.129 0.000 3.185 935 N HA 0.484 5.230 4.740 0.010 0.000 0.238 935 N C 0.231 175.791 175.510 0.083 0.000 1.451 935 N CA -0.524 52.639 53.050 0.189 0.000 0.888 935 N CB 0.891 39.495 38.487 0.195 0.000 1.413 935 N HN 0.776 nan 8.380 nan 0.000 0.511 936 G N -1.270 107.535 108.800 0.008 0.000 2.176 936 G HA2 -0.259 3.707 3.960 0.010 0.000 0.253 936 G HA3 -0.259 3.707 3.960 0.010 0.000 0.253 936 G C -0.150 174.508 174.900 -0.404 0.000 0.979 936 G CA 0.258 45.255 45.100 -0.173 0.000 0.641 936 G HN 0.764 nan 8.290 nan 0.000 0.530 937 L N 0.412 121.348 121.223 -0.479 0.000 2.529 937 L HA 0.569 4.915 4.340 0.010 0.000 0.287 937 L C 0.613 176.905 176.870 -0.963 0.000 1.241 937 L CA 0.655 54.955 54.840 -0.900 0.000 0.857 937 L CB 0.452 41.684 42.059 -1.378 0.000 1.113 937 L HN 0.280 nan 8.230 nan 0.000 0.504 938 R N 2.893 122.741 120.500 -1.086 0.000 2.532 938 R HA 0.478 4.824 4.340 0.010 0.000 0.297 938 R C -0.969 174.928 176.300 -0.672 0.000 0.984 938 R CA -0.294 55.272 56.100 -0.890 0.000 0.884 938 R CB 1.399 31.031 30.300 -1.114 0.000 1.182 938 R HN 0.699 nan 8.270 nan 0.000 0.442 939 C N 0.296 119.355 119.300 -0.402 0.000 2.352 939 C HA 0.705 5.171 4.460 0.010 0.000 0.387 939 C C 1.305 176.240 174.990 -0.092 0.000 1.294 939 C CA 0.050 58.923 59.018 -0.241 0.000 2.137 939 C CB 1.267 28.895 27.740 -0.186 0.000 2.146 939 C HN 1.024 nan 8.230 nan 0.000 0.559 940 G N 1.802 110.574 108.800 -0.046 0.000 2.356 940 G HA2 -0.189 3.777 3.960 0.010 0.000 0.296 940 G HA3 -0.189 3.777 3.960 0.010 0.000 0.296 940 G C -0.040 174.906 174.900 0.076 0.000 1.022 940 G CA 0.617 45.755 45.100 0.062 0.000 0.961 940 G HN 0.799 nan 8.290 nan 0.000 0.510 941 T N 0.020 114.472 114.554 -0.171 0.000 2.806 941 T HA 0.499 4.856 4.350 0.010 0.000 0.290 941 T C 1.393 175.806 174.700 -0.480 0.000 0.966 941 T CA -0.594 61.332 62.100 -0.289 0.000 1.060 941 T CB 1.339 69.938 68.868 -0.448 0.000 0.927 941 T HN 0.256 nan 8.240 nan 0.000 0.485 942 R N 1.592 122.031 120.500 -0.102 0.000 2.254 942 R HA 0.275 4.621 4.340 0.010 0.000 0.193 942 R C 0.549 176.918 176.300 0.115 0.000 0.929 942 R CA 0.222 56.351 56.100 0.048 0.000 1.038 942 R CB 0.441 30.882 30.300 0.236 0.000 1.009 942 R HN 0.696 nan 8.270 nan 0.000 0.512 943 E N 0.686 120.940 120.200 0.089 0.000 2.321 943 E HA 0.318 4.674 4.350 0.010 0.000 0.281 943 E C -1.872 174.855 176.600 0.210 0.000 0.910 943 E CA -0.647 55.874 56.400 0.202 0.000 0.770 943 E CB 1.550 31.343 29.700 0.156 0.000 1.225 943 E HN -0.067 nan 8.360 nan 0.000 0.417 944 L N 4.242 125.644 121.223 0.297 0.000 2.409 944 L HA 0.596 4.942 4.340 0.010 0.000 0.272 944 L C -1.940 175.136 176.870 0.343 0.000 0.980 944 L CA -0.382 54.576 54.840 0.196 0.000 0.826 944 L CB 1.778 43.784 42.059 -0.089 0.000 1.268 944 L HN 0.458 nan 8.230 nan 0.000 0.407 945 N N 4.662 123.535 118.700 0.288 0.000 2.399 945 N HA 0.354 5.100 4.740 0.010 0.000 0.280 945 N C -1.972 173.773 175.510 0.392 0.000 1.008 945 N CA -0.273 52.950 53.050 0.288 0.000 0.894 945 N CB 2.117 40.708 38.487 0.173 0.000 1.273 945 N HN 0.613 nan 8.380 nan 0.000 0.486 946 Y N 1.465 121.938 120.300 0.287 0.000 2.331 946 Y HA 0.437 4.993 4.550 0.010 0.000 0.326 946 Y C 0.723 176.758 175.900 0.226 0.000 1.020 946 Y CA 0.101 58.357 58.100 0.260 0.000 1.136 946 Y CB 0.756 39.406 38.460 0.317 0.000 1.157 946 Y HN 0.871 nan 8.280 nan 0.000 0.444 947 G N 6.619 115.257 108.800 -0.270 0.000 2.574 947 G HA2 -0.295 3.671 3.960 0.010 0.000 0.286 947 G HA3 -0.295 3.671 3.960 0.010 0.000 0.286 947 G C -1.905 172.905 174.900 -0.151 0.000 1.212 947 G CA 0.062 45.007 45.100 -0.258 0.000 0.979 947 G HN 0.588 nan 8.290 nan 0.000 0.557 948 P HA 0.165 nan 4.420 nan 0.000 0.255 948 P C 0.265 177.358 177.300 -0.346 0.000 1.248 948 P CA 0.527 63.460 63.100 -0.278 0.000 0.807 948 P CB -0.005 31.481 31.700 -0.356 0.000 1.150 949 H N 0.623 119.658 119.070 -0.059 0.000 2.505 949 H HA 0.433 4.995 4.556 0.010 0.000 0.351 949 H C 0.126 175.203 175.328 -0.419 0.000 1.151 949 H CA 0.224 56.131 56.048 -0.234 0.000 1.339 949 H CB 1.406 30.902 29.762 -0.442 0.000 1.483 949 H HN 0.127 nan 8.280 nan 0.000 0.558 950 Q N 2.514 122.009 119.800 -0.508 0.000 2.309 950 Q HA 0.225 4.571 4.340 0.010 0.000 0.273 950 Q C -1.780 173.915 176.000 -0.509 0.000 1.040 950 Q CA -0.717 54.897 55.803 -0.316 0.000 0.834 950 Q CB 2.102 30.817 28.738 -0.039 0.000 1.345 950 Q HN 0.612 nan 8.270 nan 0.000 0.414 951 W N 3.581 124.818 121.300 -0.104 0.000 2.736 951 W HA 0.622 5.288 4.660 0.011 0.000 0.335 951 W C -0.234 176.335 176.519 0.084 0.000 1.059 951 W CA -0.916 56.337 57.345 -0.153 0.000 1.226 951 W CB 2.090 31.265 29.460 -0.476 0.000 1.416 951 W HN 0.516 nan 8.180 nan 0.000 0.505 952 R N 0.575 121.292 120.500 0.362 0.000 2.744 952 R HA 0.782 5.128 4.340 0.010 0.000 0.279 952 R C 0.149 176.701 176.300 0.420 0.000 0.977 952 R CA -0.475 55.859 56.100 0.390 0.000 0.906 952 R CB 2.378 32.830 30.300 0.254 0.000 1.197 952 R HN 0.782 nan 8.270 nan 0.000 0.463 953 G N 0.789 109.869 108.800 0.467 0.000 2.470 953 G HA2 -0.029 3.938 3.960 0.010 0.000 0.145 953 G HA3 -0.029 3.938 3.960 0.010 0.000 0.145 953 G C -1.763 173.351 174.900 0.356 0.000 1.223 953 G CA -0.414 44.934 45.100 0.415 0.000 1.058 953 G HN 0.501 nan 8.290 nan 0.000 0.469 954 D N 0.156 120.785 120.400 0.383 0.000 2.381 954 D HA 0.613 5.259 4.640 0.010 0.000 0.245 954 D C -0.549 175.833 176.300 0.135 0.000 1.297 954 D CA -0.370 53.718 54.000 0.147 0.000 0.931 954 D CB 0.174 41.060 40.800 0.143 0.000 1.334 954 D HN 0.628 nan 8.370 nan 0.000 0.535 955 F N -0.229 119.724 119.950 0.005 0.000 2.950 955 F HA 0.706 5.239 4.527 0.010 0.000 0.327 955 F C -1.314 174.453 175.800 -0.054 0.000 1.197 955 F CA -1.035 56.904 58.000 -0.101 0.000 0.954 955 F CB 0.666 39.601 39.000 -0.109 0.000 1.442 955 F HN -0.132 nan 8.300 nan 0.000 0.509 956 Q N 1.435 121.320 119.800 0.142 0.000 2.387 956 Q HA 0.683 5.029 4.340 0.010 0.000 0.273 956 Q C -1.317 174.779 176.000 0.161 0.000 1.089 956 Q CA -0.533 55.260 55.803 -0.016 0.000 0.824 956 Q CB 2.759 31.363 28.738 -0.223 0.000 1.367 956 Q HN 0.906 nan 8.270 nan 0.000 0.443 957 F N -1.347 118.497 119.950 -0.177 0.000 2.741 957 F HA 0.770 5.303 4.527 0.011 0.000 0.313 957 F C -1.727 173.873 175.800 -0.334 0.000 1.153 957 F CA -1.065 56.803 58.000 -0.221 0.000 0.931 957 F CB 1.466 40.367 39.000 -0.166 0.000 1.335 957 F HN 0.594 nan 8.300 nan 0.000 0.460 958 N N 1.135 119.659 118.700 -0.292 0.000 2.396 958 N HA 0.719 5.465 4.740 0.010 0.000 0.275 958 N C -2.171 173.288 175.510 -0.084 0.000 1.218 958 N CA -0.692 52.172 53.050 -0.311 0.000 0.812 958 N CB 2.522 40.842 38.487 -0.279 0.000 1.592 958 N HN 1.168 nan 8.380 nan 0.000 0.480 959 I N 0.498 121.006 120.570 -0.103 0.000 2.685 959 I HA 0.641 4.817 4.170 0.010 0.000 0.289 959 I C -1.458 174.588 176.117 -0.117 0.000 1.292 959 I CA 0.079 61.296 61.300 -0.138 0.000 1.050 959 I CB 1.256 39.105 38.000 -0.252 0.000 1.301 959 I HN 1.048 nan 8.210 nan 0.000 0.425 960 S N 6.255 121.898 115.700 -0.094 0.000 2.703 960 S HA 0.553 5.029 4.470 0.010 0.000 0.273 960 S C -0.237 174.259 174.600 -0.174 0.000 1.178 960 S CA -0.980 57.150 58.200 -0.117 0.000 0.838 960 S CB 1.724 64.914 63.200 -0.018 0.000 1.178 960 S HN 0.614 nan 8.310 nan 0.000 0.494 961 R N -0.046 120.171 120.500 -0.471 0.000 2.356 961 R HA 0.293 4.639 4.340 0.010 0.000 0.234 961 R C -1.012 174.933 176.300 -0.592 0.000 0.929 961 R CA 0.213 55.995 56.100 -0.530 0.000 1.084 961 R CB -1.089 28.769 30.300 -0.736 0.000 1.105 961 R HN 0.663 nan 8.270 nan 0.000 0.515 962 Y N -0.178 120.120 120.300 -0.004 0.000 2.361 962 Y HA 0.260 4.817 4.550 0.010 0.000 0.337 962 Y C 0.677 176.406 175.900 -0.286 0.000 0.965 962 Y CA -1.185 56.836 58.100 -0.132 0.000 1.091 962 Y CB 1.400 39.712 38.460 -0.246 0.000 1.182 962 Y HN -0.109 nan 8.280 nan 0.000 0.450 963 S N 1.326 116.760 115.700 -0.443 0.000 2.624 963 S HA 0.095 4.571 4.470 0.010 0.000 0.263 963 S C 0.833 175.124 174.600 -0.516 0.000 1.287 963 S CA -0.778 56.800 58.200 -1.038 0.000 0.990 963 S CB 1.127 63.484 63.200 -1.404 0.000 0.950 963 S HN 0.725 nan 8.310 nan 0.000 0.561 964 Q N 0.316 119.810 119.800 -0.509 0.000 2.167 964 Q HA -0.147 4.200 4.340 0.010 0.000 0.202 964 Q C 2.182 178.041 176.000 -0.234 0.000 0.970 964 Q CA 1.395 57.031 55.803 -0.278 0.000 0.855 964 Q CB -0.457 28.143 28.738 -0.230 0.000 0.911 964 Q HN 0.903 nan 8.270 nan 0.000 0.438 965 Q N 0.663 120.288 119.800 -0.293 0.000 2.050 965 Q HA -0.204 4.142 4.340 0.010 0.000 0.202 965 Q C 2.095 177.988 176.000 -0.179 0.000 0.980 965 Q CA 1.321 57.006 55.803 -0.196 0.000 0.840 965 Q CB 0.093 28.726 28.738 -0.176 0.000 0.898 965 Q HN 0.400 nan 8.270 nan 0.000 0.424 966 Q N 0.133 119.805 119.800 -0.213 0.000 2.020 966 Q HA -0.181 4.165 4.340 0.010 0.000 0.202 966 Q C 2.324 178.195 176.000 -0.216 0.000 0.982 966 Q CA 1.465 57.148 55.803 -0.200 0.000 0.838 966 Q CB -0.148 28.453 28.738 -0.229 0.000 0.899 966 Q HN 0.443 nan 8.270 nan 0.000 0.423 967 L N 0.095 121.186 121.223 -0.219 0.000 2.021 967 L HA -0.284 4.062 4.340 0.010 0.000 0.215 967 L C 2.710 179.444 176.870 -0.228 0.000 1.074 967 L CA 1.558 56.266 54.840 -0.219 0.000 0.760 967 L CB -0.419 41.547 42.059 -0.154 0.000 0.889 967 L HN 0.430 nan 8.230 nan 0.000 0.433 968 M N -0.845 118.647 119.600 -0.180 0.000 2.374 968 M HA -0.174 4.312 4.480 0.010 0.000 0.264 968 M C 1.694 177.906 176.300 -0.146 0.000 1.067 968 M CA 1.581 56.787 55.300 -0.157 0.000 1.103 968 M CB 0.072 32.589 32.600 -0.138 0.000 1.402 968 M HN 0.242 nan 8.290 nan 0.000 0.444 969 E N -1.125 118.990 120.200 -0.141 0.000 2.415 969 E HA 0.047 4.403 4.350 0.010 0.000 0.197 969 E C -0.138 176.403 176.600 -0.097 0.000 1.007 969 E CA 0.205 56.546 56.400 -0.098 0.000 0.890 969 E CB 0.484 30.135 29.700 -0.081 0.000 0.891 969 E HN 0.312 nan 8.360 nan 0.000 0.496 970 T N 0.647 115.106 114.554 -0.158 0.000 2.799 970 T HA 0.129 4.485 4.350 0.010 0.000 0.286 970 T C 0.912 175.493 174.700 -0.198 0.000 0.973 970 T CA -0.442 61.562 62.100 -0.159 0.000 1.035 970 T CB 1.573 70.310 68.868 -0.219 0.000 0.932 970 T HN 0.008 nan 8.240 nan 0.000 0.469 971 S N 1.307 116.983 115.700 -0.041 0.000 2.540 971 S HA 0.185 4.661 4.470 0.010 0.000 0.218 971 S C 0.066 174.688 174.600 0.037 0.000 0.977 971 S CA -0.211 58.003 58.200 0.024 0.000 0.918 971 S CB -0.212 63.195 63.200 0.345 0.000 0.806 971 S HN 0.744 nan 8.310 nan 0.000 0.496 972 H N 0.951 120.031 119.070 0.016 0.000 2.759 972 H HA 0.457 5.020 4.556 0.010 0.000 0.354 972 H C 0.960 176.273 175.328 -0.024 0.000 1.074 972 H CA -0.884 55.236 56.048 0.121 0.000 1.226 972 H CB 1.556 31.359 29.762 0.067 0.000 1.648 972 H HN 0.133 nan 8.280 nan 0.000 0.529 973 R N 2.196 122.815 120.500 0.197 0.000 2.127 973 R HA -0.188 4.158 4.340 0.010 0.000 0.238 973 R C 1.284 177.604 176.300 0.033 0.000 1.134 973 R CA 1.950 58.098 56.100 0.080 0.000 0.975 973 R CB -0.460 29.926 30.300 0.143 0.000 0.865 973 R HN 0.757 nan 8.270 nan 0.000 0.447 974 H N 1.080 120.161 119.070 0.020 0.000 2.521 974 H HA -0.003 4.559 4.556 0.010 0.000 0.286 974 H C 1.529 176.783 175.328 -0.123 0.000 1.034 974 H CA 0.908 56.925 56.048 -0.052 0.000 1.278 974 H CB -0.222 29.494 29.762 -0.076 0.000 1.386 974 H HN 0.323 nan 8.280 nan 0.000 0.567 975 L N 0.884 121.735 121.223 -0.620 0.000 2.591 975 L HA 0.188 4.534 4.340 0.010 0.000 0.228 975 L C 0.726 177.438 176.870 -0.264 0.000 1.133 975 L CA -0.137 54.400 54.840 -0.505 0.000 0.880 975 L CB 0.047 41.786 42.059 -0.533 0.000 1.033 975 L HN 0.058 nan 8.230 nan 0.000 0.450 976 L N 0.640 121.701 121.223 -0.269 0.000 2.417 976 L HA 0.168 4.514 4.340 0.010 0.000 0.268 976 L C 0.145 176.947 176.870 -0.114 0.000 1.158 976 L CA -0.127 54.511 54.840 -0.337 0.000 0.819 976 L CB 0.467 42.120 42.059 -0.677 0.000 1.112 976 L HN 0.209 nan 8.230 nan 0.000 0.458 977 H N 1.431 120.522 119.070 0.035 0.000 2.667 977 H HA 0.569 5.131 4.556 0.010 0.000 0.353 977 H C -0.859 174.616 175.328 0.245 0.000 1.072 977 H CA -1.210 54.910 56.048 0.121 0.000 1.214 977 H CB 1.332 31.114 29.762 0.033 0.000 1.600 977 H HN 0.685 nan 8.280 nan 0.000 0.527 978 A N 3.712 126.697 122.820 0.275 0.000 2.546 978 A HA 0.105 4.432 4.320 0.010 0.000 0.243 978 A C 0.244 177.904 177.584 0.127 0.000 1.063 978 A CA -0.084 51.950 52.037 -0.005 0.000 0.757 978 A CB -0.019 18.923 19.000 -0.096 0.000 0.991 978 A HN 0.843 nan 8.150 nan 0.000 0.503 979 E N 1.159 121.395 120.200 0.060 0.000 2.267 979 E HA 0.246 4.602 4.350 0.010 0.000 0.258 979 E C -0.243 176.384 176.600 0.045 0.000 1.074 979 E CA -0.877 55.617 56.400 0.156 0.000 0.915 979 E CB 0.832 30.692 29.700 0.267 0.000 1.186 979 E HN 0.760 nan 8.360 nan 0.000 0.439 980 E N 0.692 120.909 120.200 0.028 0.000 2.415 980 E HA 0.165 4.521 4.350 0.010 0.000 0.263 980 E C 0.216 176.762 176.600 -0.090 0.000 0.995 980 E CA 0.719 57.101 56.400 -0.031 0.000 0.915 980 E CB 0.384 30.064 29.700 -0.034 0.000 0.951 980 E HN 0.694 nan 8.360 nan 0.000 0.449 981 G N 3.006 111.759 108.800 -0.078 0.000 2.855 981 G HA2 -0.219 3.748 3.960 0.010 0.000 0.352 981 G HA3 -0.219 3.748 3.960 0.010 0.000 0.352 981 G C -0.546 174.278 174.900 -0.126 0.000 1.415 981 G CA -0.267 44.768 45.100 -0.108 0.000 0.871 981 G HN 0.543 nan 8.290 nan 0.000 0.543 982 T N 0.532 115.012 114.554 -0.124 0.000 2.792 982 T HA 0.512 4.868 4.350 0.010 0.000 0.280 982 T C -0.459 174.121 174.700 -0.199 0.000 0.990 982 T CA -0.097 61.935 62.100 -0.114 0.000 0.960 982 T CB 1.148 70.009 68.868 -0.012 0.000 0.939 982 T HN 0.535 nan 8.240 nan 0.000 0.439 983 W N 3.307 124.516 121.300 -0.152 0.000 2.322 983 W HA 0.564 5.230 4.660 0.011 0.000 0.307 983 W C -0.227 176.169 176.519 -0.205 0.000 1.220 983 W CA -0.706 56.550 57.345 -0.149 0.000 1.210 983 W CB 0.648 30.033 29.460 -0.125 0.000 1.223 983 W HN 0.355 nan 8.180 nan 0.000 0.511 984 L N 5.501 126.745 121.223 0.034 0.000 2.322 984 L HA 0.512 4.859 4.340 0.010 0.000 0.281 984 L C -0.901 175.904 176.870 -0.107 0.000 1.014 984 L CA -0.495 54.246 54.840 -0.165 0.000 0.815 984 L CB 0.965 42.785 42.059 -0.398 0.000 1.247 984 L HN 0.311 nan 8.230 nan 0.000 0.421 985 N N 6.963 125.576 118.700 -0.146 0.000 2.524 985 N HA 0.444 5.190 4.740 0.010 0.000 0.261 985 N C -1.248 174.149 175.510 -0.189 0.000 0.998 985 N CA -0.208 52.753 53.050 -0.148 0.000 0.915 985 N CB 1.867 40.284 38.487 -0.117 0.000 1.187 985 N HN 0.530 nan 8.380 nan 0.000 0.507 986 I N 1.668 122.081 120.570 -0.263 0.000 2.362 986 I HA 0.298 4.474 4.170 0.010 0.000 0.289 986 I C -0.539 175.417 176.117 -0.268 0.000 0.994 986 I CA -0.593 60.522 61.300 -0.309 0.000 1.158 986 I CB 1.636 39.282 38.000 -0.589 0.000 1.315 986 I HN 0.131 nan 8.210 nan 0.000 0.451 987 D N 4.590 124.869 120.400 -0.202 0.000 2.256 987 D HA 0.288 4.935 4.640 0.010 0.000 0.246 987 D C 0.934 176.928 176.300 -0.510 0.000 1.042 987 D CA -0.335 53.467 54.000 -0.332 0.000 0.841 987 D CB 2.655 43.333 40.800 -0.203 0.000 1.223 987 D HN 0.701 nan 8.370 nan 0.000 0.470 988 G N 0.862 109.033 108.800 -1.049 0.000 2.408 988 G HA2 0.010 3.976 3.960 0.010 0.000 0.215 988 G HA3 0.010 3.976 3.960 0.010 0.000 0.215 988 G C 0.087 174.126 174.900 -1.436 0.000 1.156 988 G CA 0.459 44.745 45.100 -1.357 0.000 0.793 988 G HN 0.353 nan 8.290 nan 0.000 0.535 989 F N -1.529 118.192 119.950 -0.380 0.000 2.578 989 F HA 0.626 5.159 4.527 0.010 0.000 0.311 989 F C -0.557 175.110 175.800 -0.222 0.000 1.094 989 F CA -1.367 56.484 58.000 -0.247 0.000 0.923 989 F CB 2.006 40.785 39.000 -0.368 0.000 1.230 989 F HN 0.013 nan 8.300 nan 0.000 0.450 990 H N 2.341 121.392 119.070 -0.031 0.000 2.877 990 H HA 0.456 5.018 4.556 0.010 0.000 0.347 990 H C -0.708 174.642 175.328 0.038 0.000 1.042 990 H CA -0.807 55.218 56.048 -0.039 0.000 1.276 990 H CB 1.655 31.382 29.762 -0.059 0.000 1.681 990 H HN 0.800 nan 8.280 nan 0.000 0.521 991 M N 3.717 123.284 119.600 -0.055 0.000 2.248 991 M HA 0.252 4.738 4.480 0.010 0.000 0.337 991 M C 0.457 176.907 176.300 0.250 0.000 1.121 991 M CA 0.289 55.635 55.300 0.076 0.000 1.155 991 M CB 0.308 32.846 32.600 -0.104 0.000 1.514 991 M HN 0.860 nan 8.290 nan 0.000 0.452 992 G N 3.309 112.215 108.800 0.177 0.000 2.690 992 G HA2 0.245 4.211 3.960 0.010 0.000 0.239 992 G HA3 0.245 4.211 3.960 0.010 0.000 0.239 992 G C 0.681 175.570 174.900 -0.018 0.000 1.233 992 G CA -0.365 44.773 45.100 0.063 0.000 0.847 992 G HN 0.978 nan 8.290 nan 0.000 0.588 993 I N -0.977 119.527 120.570 -0.110 0.000 3.228 993 I HA 0.381 4.558 4.170 0.010 0.000 0.279 993 I C 1.275 177.319 176.117 -0.122 0.000 1.221 993 I CA 0.499 61.688 61.300 -0.185 0.000 1.458 993 I CB -0.620 37.150 38.000 -0.384 0.000 1.105 993 I HN 0.928 nan 8.210 nan 0.000 0.445 994 G N 1.652 110.401 108.800 -0.085 0.000 2.598 994 G HA2 0.009 3.975 3.960 0.010 0.000 0.244 994 G HA3 0.009 3.975 3.960 0.010 0.000 0.244 994 G C 0.594 175.485 174.900 -0.016 0.000 1.302 994 G CA 0.173 45.260 45.100 -0.023 0.000 0.903 994 G HN 1.434 nan 8.290 nan 0.000 0.575 995 G N -2.207 106.598 108.800 0.008 0.000 2.234 995 G HA2 0.024 3.990 3.960 0.010 0.000 0.153 995 G HA3 0.024 3.990 3.960 0.010 0.000 0.153 995 G C 0.603 175.541 174.900 0.063 0.000 1.013 995 G CA 0.912 46.023 45.100 0.019 0.000 0.712 995 G HN 1.000 nan 8.290 nan 0.000 0.491 996 D N 1.088 121.542 120.400 0.091 0.000 2.190 996 D HA 0.088 4.734 4.640 0.010 0.000 0.200 996 D C 1.069 177.369 176.300 0.001 0.000 0.992 996 D CA 2.134 56.247 54.000 0.188 0.000 0.854 996 D CB 0.149 41.086 40.800 0.228 0.000 0.936 996 D HN 0.826 nan 8.370 nan 0.000 0.462 997 D N -3.252 116.951 120.400 -0.329 0.000 2.643 997 D HA 0.319 4.965 4.640 0.010 0.000 0.283 997 D C -0.771 175.001 176.300 -0.879 0.000 1.242 997 D CA -0.744 52.629 54.000 -1.045 0.000 0.863 997 D CB 0.920 40.637 40.800 -1.804 0.000 1.382 997 D HN -0.305 nan 8.370 nan 0.000 0.444 998 S N -0.494 114.527 115.700 -1.132 0.000 2.651 998 S HA 0.253 4.729 4.470 0.010 0.000 0.246 998 S C -0.596 174.028 174.600 0.040 0.000 1.039 998 S CA -0.633 57.436 58.200 -0.218 0.000 1.013 998 S CB -0.518 62.817 63.200 0.225 0.000 0.861 998 S HN 0.616 nan 8.310 nan 0.000 0.485 999 W N 0.752 121.973 121.300 -0.131 0.000 2.055 999 W HA 0.514 5.179 4.660 0.010 0.000 0.293 999 W C -0.086 176.362 176.519 -0.119 0.000 0.886 999 W CA -0.524 56.730 57.345 -0.152 0.000 1.384 999 W CB -0.548 28.766 29.460 -0.242 0.000 1.068 999 W HN 0.156 nan 8.180 nan 0.000 0.513 1000 S N -0.874 114.719 115.700 -0.177 0.000 2.579 1000 S HA 0.672 5.148 4.470 0.010 0.000 0.272 1000 S C -3.073 171.462 174.600 -0.109 0.000 1.141 1000 S CA -1.710 56.425 58.200 -0.108 0.000 0.843 1000 S CB 1.763 64.918 63.200 -0.075 0.000 1.122 1000 S HN -0.210 nan 8.310 nan 0.000 0.468 1001 P HA 0.197 nan 4.420 nan 0.000 0.264 1001 P C 0.383 177.721 177.300 0.064 0.000 1.193 1001 P CA -0.093 63.011 63.100 0.007 0.000 0.763 1001 P CB 0.604 32.174 31.700 -0.216 0.000 0.810 1002 S N 0.319 116.098 115.700 0.131 0.000 2.733 1002 S HA 0.137 4.613 4.470 0.010 0.000 0.247 1002 S C 0.279 174.962 174.600 0.139 0.000 1.043 1002 S CA -0.313 57.936 58.200 0.080 0.000 1.066 1002 S CB -0.285 62.911 63.200 -0.007 0.000 1.045 1002 S HN 0.134 nan 8.310 nan 0.000 0.586 1003 V N 2.942 122.989 119.914 0.222 0.000 2.470 1003 V HA 0.340 4.466 4.120 0.010 0.000 0.276 1003 V C 0.841 177.087 176.094 0.253 0.000 1.040 1003 V CA -0.222 62.196 62.300 0.197 0.000 1.008 1003 V CB 0.939 32.828 31.823 0.110 0.000 0.990 1003 V HN 0.502 nan 8.190 nan 0.000 0.477 1004 S N 3.931 119.794 115.700 0.271 0.000 2.579 1004 S HA 0.319 4.795 4.470 0.010 0.000 0.275 1004 S C 1.527 176.279 174.600 0.252 0.000 1.345 1004 S CA 0.057 58.413 58.200 0.259 0.000 1.031 1004 S CB 1.167 64.541 63.200 0.289 0.000 0.892 1004 S HN 0.985 nan 8.310 nan 0.000 0.529 1005 A N 3.211 126.134 122.820 0.171 0.000 1.948 1005 A HA -0.147 4.180 4.320 0.010 0.000 0.220 1005 A C 2.035 179.655 177.584 0.060 0.000 1.177 1005 A CA 1.847 53.968 52.037 0.139 0.000 0.636 1005 A CB -0.693 18.368 19.000 0.102 0.000 0.815 1005 A HN 0.957 nan 8.150 nan 0.000 0.449 1006 E N -0.769 119.407 120.200 -0.041 0.000 2.338 1006 E HA -0.146 4.210 4.350 0.010 0.000 0.197 1006 E C 0.935 177.313 176.600 -0.370 0.000 1.007 1006 E CA 0.903 57.154 56.400 -0.247 0.000 0.849 1006 E CB -0.461 29.000 29.700 -0.398 0.000 0.774 1006 E HN 0.667 nan 8.360 nan 0.000 0.506 1007 F N 1.239 121.241 119.950 0.087 0.000 2.695 1007 F HA 0.256 4.789 4.527 0.010 0.000 0.303 1007 F C 0.832 176.674 175.800 0.071 0.000 1.091 1007 F CA -0.395 57.657 58.000 0.087 0.000 1.300 1007 F CB 0.420 39.472 39.000 0.086 0.000 1.071 1007 F HN -0.180 nan 8.300 nan 0.000 0.578 1008 Q N 1.106 121.016 119.800 0.183 0.000 2.235 1008 Q HA 0.356 4.702 4.340 0.010 0.000 0.250 1008 Q C -0.105 175.924 176.000 0.048 0.000 0.909 1008 Q CA -0.378 55.509 55.803 0.140 0.000 0.910 1008 Q CB 1.649 30.562 28.738 0.291 0.000 1.223 1008 Q HN 0.252 nan 8.270 nan 0.000 0.432 1009 L N 2.651 123.894 121.223 0.032 0.000 2.391 1009 L HA 0.083 4.429 4.340 0.010 0.000 0.249 1009 L C 0.498 177.341 176.870 -0.044 0.000 1.308 1009 L CA 0.006 54.851 54.840 0.010 0.000 1.209 1009 L CB -0.432 41.525 42.059 -0.170 0.000 1.401 1009 L HN 0.730 nan 8.230 nan 0.000 0.416 1010 S N -1.471 114.097 115.700 -0.220 0.000 2.554 1010 S HA 0.131 4.607 4.470 0.010 0.000 0.226 1010 S C 1.680 176.208 174.600 -0.121 0.000 0.980 1010 S CA 0.176 58.062 58.200 -0.524 0.000 0.939 1010 S CB 0.713 63.434 63.200 -0.798 0.000 0.832 1010 S HN 0.494 nan 8.310 nan 0.000 0.486 1011 A N 1.533 124.330 122.820 -0.039 0.000 2.178 1011 A HA 0.419 4.745 4.320 0.010 0.000 0.218 1011 A C 2.140 179.585 177.584 -0.232 0.000 1.157 1011 A CA 1.175 53.055 52.037 -0.262 0.000 0.689 1011 A CB -1.330 17.287 19.000 -0.638 0.000 0.787 1011 A HN 1.447 nan 8.150 nan 0.000 0.465 1012 G N -1.400 107.379 108.800 -0.036 0.000 2.458 1012 G HA2 -0.319 3.648 3.960 0.010 0.000 0.237 1012 G HA3 -0.319 3.648 3.960 0.010 0.000 0.237 1012 G C 0.456 175.348 174.900 -0.013 0.000 1.113 1012 G CA 0.617 45.733 45.100 0.028 0.000 0.655 1012 G HN 0.704 nan 8.290 nan 0.000 0.513 1013 R N -0.599 119.758 120.500 -0.239 0.000 2.532 1013 R HA 0.671 5.017 4.340 0.010 0.000 0.297 1013 R C -1.550 174.481 176.300 -0.449 0.000 0.984 1013 R CA -0.598 55.403 56.100 -0.164 0.000 0.884 1013 R CB 1.457 31.702 30.300 -0.092 0.000 1.182 1013 R HN 0.235 nan 8.270 nan 0.000 0.442 1014 Y N 0.553 120.829 120.300 -0.039 0.000 2.477 1014 Y HA 0.384 4.940 4.550 0.010 0.000 0.347 1014 Y C -0.397 175.625 175.900 0.204 0.000 0.981 1014 Y CA -0.836 57.190 58.100 -0.124 0.000 1.033 1014 Y CB 2.170 40.353 38.460 -0.462 0.000 1.245 1014 Y HN 0.580 nan 8.280 nan 0.000 0.455 1015 H N 2.933 122.238 119.070 0.392 0.000 2.771 1015 H HA 0.625 5.187 4.556 0.010 0.000 0.361 1015 H C -1.707 174.046 175.328 0.707 0.000 1.108 1015 H CA -0.893 55.413 56.048 0.431 0.000 1.201 1015 H CB 1.305 31.209 29.762 0.236 0.000 1.681 1015 H HN 0.607 nan 8.280 nan 0.000 0.534 1016 Y N 1.880 122.024 120.300 -0.261 0.000 2.656 1016 Y HA 0.510 5.066 4.550 0.010 0.000 0.334 1016 Y C -1.989 173.754 175.900 -0.263 0.000 1.179 1016 Y CA -1.169 56.866 58.100 -0.108 0.000 1.050 1016 Y CB 1.376 39.857 38.460 0.034 0.000 1.308 1016 Y HN 0.768 nan 8.280 nan 0.000 0.456 1017 Q N 1.936 121.740 119.800 0.007 0.000 2.353 1017 Q HA 0.777 5.123 4.340 0.010 0.000 0.275 1017 Q C -2.578 173.498 176.000 0.127 0.000 1.029 1017 Q CA -0.717 55.061 55.803 -0.041 0.000 0.848 1017 Q CB 2.785 31.525 28.738 0.003 0.000 1.390 1017 Q HN 0.855 nan 8.270 nan 0.000 0.401 1018 L N 1.335 122.615 121.223 0.096 0.000 2.393 1018 L HA 0.844 5.190 4.340 0.010 0.000 0.260 1018 L C -1.047 175.928 176.870 0.174 0.000 1.002 1018 L CA -1.281 53.650 54.840 0.152 0.000 0.818 1018 L CB 2.713 44.837 42.059 0.107 0.000 1.369 1018 L HN 0.583 nan 8.230 nan 0.000 0.412 1019 V N 0.901 120.942 119.914 0.212 0.000 2.357 1019 V HA 0.375 4.501 4.120 0.010 0.000 0.284 1019 V C -1.225 175.027 176.094 0.264 0.000 1.018 1019 V CA -0.338 62.094 62.300 0.220 0.000 0.841 1019 V CB 1.675 33.605 31.823 0.178 0.000 0.991 1019 V HN 0.606 nan 8.190 nan 0.000 0.437 1020 W N 7.274 128.619 121.300 0.075 0.000 2.429 1020 W HA 0.713 5.379 4.660 0.011 0.000 0.314 1020 W C -0.171 176.333 176.519 -0.026 0.000 1.062 1020 W CA -1.065 56.241 57.345 -0.066 0.000 1.211 1020 W CB 1.397 30.868 29.460 0.018 0.000 1.305 1020 W HN 0.878 nan 8.180 nan 0.000 0.476 1021 C N 4.285 123.894 119.300 0.516 0.000 3.276 1021 C HA 0.652 5.119 4.460 0.010 0.000 0.370 1021 C C -0.644 174.481 174.990 0.225 0.000 1.624 1021 C CA -0.685 58.522 59.018 0.314 0.000 1.179 1021 C CB 1.560 29.412 27.740 0.188 0.000 1.909 1021 C HN 0.732 nan 8.230 nan 0.000 0.434 1022 Q N 1.141 121.008 119.800 0.110 0.000 2.385 1022 Q HA 0.852 5.198 4.340 0.010 0.000 0.262 1022 Q C -1.212 174.787 176.000 -0.002 0.000 1.050 1022 Q CA -0.318 55.493 55.803 0.012 0.000 0.903 1022 Q CB 2.163 30.881 28.738 -0.033 0.000 1.325 1022 Q HN 0.931 nan 8.270 nan 0.000 0.485 1023 K N 0.000 120.374 120.400 -0.043 0.000 2.780 1023 K HA 0.000 4.326 4.320 0.010 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.031 0.000 0.838 1023 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543