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_B 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 0.000 176.079 176.300 -0.369 0.000 0.893 13 R CA 0.000 55.975 56.100 -0.208 0.000 0.921 13 R CB 0.000 30.185 30.300 -0.192 0.000 0.687 14 R N 2.206 122.347 120.500 -0.599 0.000 3.158 14 R HA -0.166 4.189 4.340 0.024 0.000 0.244 14 R C -0.265 175.427 176.300 -1.014 0.000 0.900 14 R CA 0.877 56.075 56.100 -1.503 0.000 0.618 14 R CB -1.293 28.354 30.300 -1.088 0.000 1.061 14 R HN 0.322 nan 8.270 nan 0.000 0.471 15 D N 0.038 120.087 120.400 -0.585 0.000 2.218 15 D HA -0.177 4.477 4.640 0.024 0.000 0.204 15 D C 1.652 177.864 176.300 -0.147 0.000 0.976 15 D CA 1.722 55.492 54.000 -0.383 0.000 0.853 15 D CB -0.124 40.279 40.800 -0.662 0.000 0.939 15 D HN 0.744 nan 8.370 nan 0.000 0.481 16 W N 1.324 122.630 121.300 0.009 0.000 3.077 16 W HA 0.170 4.844 4.660 0.024 0.000 0.245 16 W C 0.454 177.070 176.519 0.162 0.000 1.316 16 W CA -0.240 57.219 57.345 0.190 0.000 1.537 16 W CB -0.218 29.403 29.460 0.268 0.000 1.131 16 W HN -0.203 nan 8.180 nan 0.000 0.695 17 E N 1.348 121.400 120.200 -0.247 0.000 3.858 17 E HA 0.060 4.425 4.350 0.024 0.000 0.208 17 E C -0.891 175.582 176.600 -0.211 0.000 1.041 17 E CA -0.245 56.070 56.400 -0.142 0.000 1.368 17 E CB -0.241 29.379 29.700 -0.134 0.000 1.176 17 E HN 0.041 nan 8.360 nan 0.000 0.448 18 N N 0.768 119.372 118.700 -0.160 0.000 2.875 18 N HA 0.092 4.847 4.740 0.024 0.000 0.253 18 N C -2.432 172.952 175.510 -0.210 0.000 1.296 18 N CA -1.551 51.368 53.050 -0.219 0.000 0.816 18 N CB 1.286 39.651 38.487 -0.203 0.000 1.504 18 N HN -0.135 nan 8.380 nan 0.000 0.582 19 P HA 0.011 nan 4.420 nan 0.000 0.223 19 P C 1.190 178.252 177.300 -0.396 0.000 1.144 19 P CA 0.873 63.650 63.100 -0.539 0.000 0.783 19 P CB 0.121 31.038 31.700 -1.305 0.000 0.771 20 G N -0.484 108.125 108.800 -0.318 0.000 2.534 20 G HA2 0.014 3.989 3.960 0.024 0.000 0.217 20 G HA3 0.014 3.989 3.960 0.024 0.000 0.217 20 G C 0.357 175.177 174.900 -0.134 0.000 1.128 20 G CA 0.199 45.166 45.100 -0.221 0.000 0.784 20 G HN 0.238 nan 8.290 nan 0.000 0.542 21 V N 1.474 121.326 119.914 -0.103 0.000 2.325 21 V HA 0.302 4.436 4.120 0.024 0.000 0.280 21 V C 0.808 176.960 176.094 0.097 0.000 1.016 21 V CA 0.135 62.427 62.300 -0.012 0.000 0.818 21 V CB 1.278 33.079 31.823 -0.037 0.000 1.019 21 V HN 0.326 nan 8.190 nan 0.000 0.434 22 T N 0.609 115.218 114.554 0.092 0.000 3.023 22 T HA 0.378 4.743 4.350 0.024 0.000 0.253 22 T C 0.237 174.988 174.700 0.085 0.000 1.038 22 T CA 0.119 62.278 62.100 0.099 0.000 0.962 22 T CB 0.333 69.209 68.868 0.014 0.000 1.018 22 T HN 0.697 nan 8.240 nan 0.000 0.521 23 Q N 0.367 120.267 119.800 0.167 0.000 2.791 23 Q HA 0.623 4.978 4.340 0.024 0.000 0.280 23 Q C -2.365 173.774 176.000 0.231 0.000 0.928 23 Q CA -1.034 54.859 55.803 0.150 0.000 0.819 23 Q CB 0.584 29.316 28.738 -0.009 0.000 1.552 23 Q HN 0.236 nan 8.270 nan 0.000 0.410 24 L N 1.853 123.240 121.223 0.274 0.000 2.439 24 L HA 0.637 4.992 4.340 0.024 0.000 0.270 24 L C -0.530 176.460 176.870 0.199 0.000 0.972 24 L CA -0.967 54.033 54.840 0.267 0.000 0.836 24 L CB 1.836 44.171 42.059 0.459 0.000 1.255 24 L HN 0.844 nan 8.230 nan 0.000 0.404 25 N N 0.756 119.533 118.700 0.129 0.000 2.741 25 N HA -0.208 4.546 4.740 0.024 0.000 0.251 25 N C 0.226 175.765 175.510 0.049 0.000 1.112 25 N CA 0.785 53.899 53.050 0.107 0.000 0.750 25 N CB -0.786 37.735 38.487 0.058 0.000 1.119 25 N HN 0.683 nan 8.380 nan 0.000 0.561 26 R N 0.816 121.232 120.500 -0.139 0.000 2.490 26 R HA 0.372 4.727 4.340 0.024 0.000 0.280 26 R C 0.638 176.744 176.300 -0.324 0.000 1.077 26 R CA -0.263 55.510 56.100 -0.544 0.000 1.065 26 R CB 0.521 30.566 30.300 -0.424 0.000 1.003 26 R HN 0.129 nan 8.270 nan 0.000 0.470 27 L N 2.687 123.699 121.223 -0.352 0.000 2.475 27 L HA 0.356 4.711 4.340 0.024 0.000 0.253 27 L C 0.651 177.457 176.870 -0.106 0.000 1.198 27 L CA -0.670 54.083 54.840 -0.145 0.000 0.814 27 L CB 0.594 42.611 42.059 -0.071 0.000 1.134 27 L HN 0.719 nan 8.230 nan 0.000 0.478 28 A N 0.759 123.562 122.820 -0.029 0.000 2.483 28 A HA 0.493 4.827 4.320 0.024 0.000 0.238 28 A C 0.262 177.853 177.584 0.012 0.000 1.070 28 A CA 0.010 52.043 52.037 -0.008 0.000 0.770 28 A CB 0.068 19.086 19.000 0.030 0.000 1.008 28 A HN 0.773 nan 8.150 nan 0.000 0.497 29 A N 1.424 124.204 122.820 -0.066 0.000 2.351 29 A HA 0.674 5.009 4.320 0.024 0.000 0.257 29 A C 0.096 177.582 177.584 -0.164 0.000 1.087 29 A CA 0.433 52.352 52.037 -0.196 0.000 0.798 29 A CB -0.080 18.811 19.000 -0.181 0.000 1.033 29 A HN 1.832 nan 8.150 nan 0.000 0.488 30 H N -1.612 117.310 119.070 -0.247 0.000 2.917 30 H HA 0.673 5.243 4.556 0.024 0.000 0.299 30 H C -3.369 171.672 175.328 -0.478 0.000 1.418 30 H CA -1.842 54.001 56.048 -0.341 0.000 1.138 30 H CB 0.125 29.605 29.762 -0.470 0.000 1.830 30 H HN 0.381 nan 8.280 nan 0.000 0.514 31 P HA 0.232 nan 4.420 nan 0.000 0.275 31 P C -2.594 174.496 177.300 -0.349 0.000 1.266 31 P CA -1.638 61.247 63.100 -0.359 0.000 0.793 31 P CB -0.371 31.088 31.700 -0.402 0.000 1.074 32 P HA 0.059 nan 4.420 nan 0.000 0.262 32 P C -0.649 176.862 177.300 0.351 0.000 1.199 32 P CA 1.151 64.277 63.100 0.044 0.000 0.763 32 P CB -0.237 31.528 31.700 0.109 0.000 0.790 33 F N 1.613 121.658 119.950 0.159 0.000 2.541 33 F HA 0.612 5.153 4.527 0.024 0.000 0.331 33 F C 1.114 176.840 175.800 -0.125 0.000 1.057 33 F CA -0.980 57.052 58.000 0.053 0.000 0.975 33 F CB 2.010 41.009 39.000 -0.003 0.000 1.246 33 F HN 0.210 nan 8.300 nan 0.000 0.484 34 A N 0.089 122.839 122.820 -0.117 0.000 2.710 34 A HA 0.209 4.544 4.320 0.024 0.000 0.212 34 A C 0.532 177.814 177.584 -0.503 0.000 1.358 34 A CA 0.425 52.172 52.037 -0.483 0.000 1.048 34 A CB -0.193 18.090 19.000 -1.195 0.000 1.345 34 A HN 0.710 nan 8.150 nan 0.000 0.583 35 S N 0.550 116.048 115.700 -0.336 0.000 3.550 35 S HA -0.155 4.330 4.470 0.024 0.000 0.372 35 S C 0.144 174.657 174.600 -0.145 0.000 0.966 35 S CA 0.536 58.604 58.200 -0.220 0.000 1.229 35 S CB -1.520 61.569 63.200 -0.186 0.000 0.917 35 S HN 0.471 nan 8.310 nan 0.000 0.496 36 W N 1.439 122.718 121.300 -0.035 0.000 2.123 36 W HA 0.223 4.897 4.660 0.024 0.000 0.351 36 W C 1.549 178.048 176.519 -0.034 0.000 1.292 36 W CA -0.429 56.903 57.345 -0.022 0.000 1.263 36 W CB 0.185 29.632 29.460 -0.022 0.000 1.165 36 W HN 0.366 nan 8.180 nan 0.000 0.590 37 R N 1.258 121.893 120.500 0.225 0.000 2.535 37 R HA 0.072 4.426 4.340 0.024 0.000 0.323 37 R C -0.016 176.343 176.300 0.097 0.000 0.979 37 R CA -0.114 56.055 56.100 0.115 0.000 1.120 37 R CB 0.186 30.520 30.300 0.055 0.000 1.306 37 R HN 0.338 nan 8.270 nan 0.000 0.540 38 N N 1.030 119.803 118.700 0.122 0.000 2.461 38 N HA 0.004 4.758 4.740 0.024 0.000 0.284 38 N C 0.700 176.188 175.510 -0.036 0.000 1.049 38 N CA 0.134 53.205 53.050 0.035 0.000 0.889 38 N CB 1.948 40.450 38.487 0.024 0.000 1.365 38 N HN -0.049 nan 8.380 nan 0.000 0.499 39 S N 2.864 118.528 115.700 -0.061 0.000 2.400 39 S HA -0.203 4.282 4.470 0.024 0.000 0.232 39 S C 1.389 175.835 174.600 -0.256 0.000 1.025 39 S CA 1.467 59.591 58.200 -0.126 0.000 0.993 39 S CB -0.081 63.080 63.200 -0.066 0.000 0.808 39 S HN 0.702 nan 8.310 nan 0.000 0.478 40 E N 1.145 121.206 120.200 -0.231 0.000 2.158 40 E HA -0.057 4.308 4.350 0.024 0.000 0.191 40 E C 2.017 178.391 176.600 -0.376 0.000 0.982 40 E CA 0.998 57.219 56.400 -0.298 0.000 0.823 40 E CB -0.276 29.303 29.700 -0.202 0.000 0.766 40 E HN 0.456 nan 8.360 nan 0.000 0.468 41 E N 0.502 120.487 120.200 -0.358 0.000 2.038 41 E HA -0.192 4.173 4.350 0.024 0.000 0.195 41 E C 2.014 178.021 176.600 -0.989 0.000 1.000 41 E CA 1.329 57.461 56.400 -0.448 0.000 0.803 41 E CB -0.707 28.858 29.700 -0.225 0.000 0.750 41 E HN 0.387 nan 8.360 nan 0.000 0.448 42 A N 1.429 123.429 122.820 -1.367 0.000 1.883 42 A HA -0.247 4.087 4.320 0.024 0.000 0.217 42 A C 2.263 179.200 177.584 -1.077 0.000 1.186 42 A CA 2.053 52.951 52.037 -1.898 0.000 0.624 42 A CB -0.597 17.879 19.000 -0.874 0.000 0.822 42 A HN 0.189 nan 8.150 nan 0.000 0.444 43 R N -0.390 119.690 120.500 -0.700 0.000 2.091 43 R HA -0.138 4.216 4.340 0.024 0.000 0.238 43 R C 1.969 177.968 176.300 -0.502 0.000 1.136 43 R CA 2.109 57.851 56.100 -0.597 0.000 0.959 43 R CB -0.490 29.349 30.300 -0.768 0.000 0.856 43 R HN 0.640 nan 8.270 nan 0.000 0.437 44 T N -2.605 111.666 114.554 -0.472 0.000 3.129 44 T HA 0.047 4.412 4.350 0.024 0.000 0.251 44 T C 0.243 174.815 174.700 -0.214 0.000 1.117 44 T CA 0.494 62.410 62.100 -0.307 0.000 1.034 44 T CB 0.024 68.745 68.868 -0.245 0.000 0.968 44 T HN 0.359 nan 8.240 nan 0.000 0.526 45 D N 0.891 121.111 120.400 -0.299 0.000 2.837 45 D HA -0.147 4.507 4.640 0.024 0.000 0.230 45 D C -0.103 176.270 176.300 0.121 0.000 1.152 45 D CA 0.400 54.385 54.000 -0.026 0.000 0.736 45 D CB -0.588 40.268 40.800 0.093 0.000 1.084 45 D HN 0.382 nan 8.370 nan 0.000 0.429 46 R N 0.075 120.587 120.500 0.020 0.000 2.637 46 R HA 0.403 4.757 4.340 0.024 0.000 0.269 46 R C -2.077 174.482 176.300 0.431 0.000 1.089 46 R CA -1.380 54.814 56.100 0.156 0.000 1.177 46 R CB -0.494 29.853 30.300 0.078 0.000 1.091 46 R HN 0.133 nan 8.270 nan 0.000 0.540 47 P HA -0.044 nan 4.420 nan 0.000 0.264 47 P C -0.298 177.196 177.300 0.322 0.000 1.183 47 P CA 0.281 63.542 63.100 0.267 0.000 0.763 47 P CB 0.513 32.312 31.700 0.164 0.000 0.807 48 S N 2.122 117.915 115.700 0.155 0.000 2.475 48 S HA 0.159 4.644 4.470 0.024 0.000 0.298 48 S C 1.006 175.633 174.600 0.045 0.000 1.119 48 S CA -0.573 57.634 58.200 0.011 0.000 1.085 48 S CB 0.589 63.404 63.200 -0.642 0.000 1.028 48 S HN 0.197 nan 8.310 nan 0.000 0.489 49 Q N 2.828 122.689 119.800 0.101 0.000 2.369 49 Q HA 0.015 4.370 4.340 0.024 0.000 0.206 49 Q C 0.971 177.102 176.000 0.219 0.000 0.963 49 Q CA 0.982 56.880 55.803 0.157 0.000 0.894 49 Q CB -0.279 28.556 28.738 0.161 0.000 0.965 49 Q HN 0.716 nan 8.270 nan 0.000 0.475 50 Q N 0.036 119.868 119.800 0.053 0.000 2.444 50 Q HA 0.150 4.504 4.340 0.024 0.000 0.206 50 Q C -0.220 175.795 176.000 0.024 0.000 0.948 50 Q CA 0.140 55.900 55.803 -0.071 0.000 0.946 50 Q CB 0.192 28.814 28.738 -0.192 0.000 1.027 50 Q HN 0.086 nan 8.270 nan 0.000 0.513 51 L N 1.216 122.506 121.223 0.112 0.000 2.372 51 L HA 0.466 4.820 4.340 0.024 0.000 0.273 51 L C -1.190 175.789 176.870 0.181 0.000 0.989 51 L CA -0.662 54.253 54.840 0.125 0.000 0.841 51 L CB 1.038 43.076 42.059 -0.035 0.000 1.225 51 L HN 0.077 nan 8.230 nan 0.000 0.414 52 R N 2.448 123.090 120.500 0.236 0.000 2.750 52 R HA 0.723 5.077 4.340 0.024 0.000 0.281 52 R C -0.630 175.703 176.300 0.055 0.000 0.972 52 R CA -0.749 55.426 56.100 0.126 0.000 0.912 52 R CB 1.613 31.966 30.300 0.090 0.000 1.187 52 R HN 0.522 nan 8.270 nan 0.000 0.464 53 S N 1.761 117.480 115.700 0.032 0.000 2.548 53 S HA 0.222 4.707 4.470 0.024 0.000 0.277 53 S C 0.466 175.072 174.600 0.011 0.000 1.315 53 S CA -0.694 57.513 58.200 0.013 0.000 1.050 53 S CB 0.339 63.555 63.200 0.026 0.000 0.918 53 S HN 0.658 nan 8.310 nan 0.000 0.497 54 L N 3.691 124.922 121.223 0.014 0.000 2.910 54 L HA 0.294 4.649 4.340 0.024 0.000 0.252 54 L C 0.145 177.173 176.870 0.263 0.000 1.195 54 L CA -0.408 54.475 54.840 0.071 0.000 1.003 54 L CB -0.219 41.836 42.059 -0.007 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.074 119.854 118.700 0.134 0.000 2.415 55 N HA 0.478 5.232 4.740 0.024 0.000 0.248 55 N C 0.732 176.365 175.510 0.207 0.000 1.271 55 N CA 1.055 54.188 53.050 0.139 0.000 0.913 55 N CB 1.221 39.730 38.487 0.036 0.000 1.129 55 N HN 0.290 nan 8.380 nan 0.000 0.444 56 G N 0.269 109.209 108.800 0.233 0.000 2.217 56 G HA2 -0.118 3.857 3.960 0.024 0.000 0.126 56 G HA3 -0.118 3.857 3.960 0.024 0.000 0.126 56 G C -1.349 173.761 174.900 0.351 0.000 1.293 56 G CA -0.747 44.490 45.100 0.229 0.000 1.219 56 G HN 0.480 nan 8.290 nan 0.000 0.477 57 E N 0.560 120.941 120.200 0.302 0.000 2.105 57 E HA 0.432 4.797 4.350 0.024 0.000 0.285 57 E C -0.871 175.953 176.600 0.374 0.000 1.055 57 E CA -0.262 56.318 56.400 0.300 0.000 0.843 57 E CB 0.646 30.444 29.700 0.163 0.000 1.067 57 E HN 0.331 nan 8.360 nan 0.000 0.398 58 W N 1.960 123.347 121.300 0.146 0.000 2.703 58 W HA 0.421 5.095 4.660 0.024 0.000 0.359 58 W C 0.209 176.854 176.519 0.209 0.000 1.168 58 W CA -0.713 56.751 57.345 0.199 0.000 1.177 58 W CB 0.755 30.388 29.460 0.289 0.000 1.434 58 W HN 0.157 nan 8.180 nan 0.000 0.618 59 R N 1.623 122.402 120.500 0.466 0.000 2.393 59 R HA 0.535 4.890 4.340 0.024 0.000 0.310 59 R C -1.550 175.023 176.300 0.455 0.000 0.968 59 R CA -0.913 55.401 56.100 0.356 0.000 0.867 59 R CB 1.007 31.454 30.300 0.246 0.000 1.124 59 R HN 0.453 nan 8.270 nan 0.000 0.450 60 F N 0.791 120.805 119.950 0.106 0.000 2.591 60 F HA 0.681 5.223 4.527 0.024 0.000 0.309 60 F C -1.579 174.091 175.800 -0.217 0.000 1.098 60 F CA -0.653 57.270 58.000 -0.128 0.000 0.937 60 F CB 2.040 40.851 39.000 -0.314 0.000 1.250 60 F HN 0.612 nan 8.300 nan 0.000 0.447 61 A N 4.075 126.035 122.820 -1.434 0.000 2.520 61 A HA 0.547 4.881 4.320 0.024 0.000 0.298 61 A C -2.510 174.001 177.584 -1.789 0.000 1.051 61 A CA -0.515 50.770 52.037 -1.252 0.000 0.690 61 A CB 0.723 19.366 19.000 -0.596 0.000 1.281 61 A HN 0.926 nan 8.150 nan 0.000 0.402 62 W N 3.010 123.328 121.300 -1.637 0.000 2.361 62 W HA 0.719 5.393 4.660 0.024 0.000 0.309 62 W C -1.755 174.021 176.519 -1.238 0.000 1.122 62 W CA -0.200 56.393 57.345 -1.254 0.000 1.208 62 W CB 0.834 29.868 29.460 -0.711 0.000 1.246 62 W HN 0.476 nan 8.180 nan 0.000 0.490 63 F N 7.042 126.205 119.950 -1.312 0.000 2.561 63 F HA 0.396 4.937 4.527 0.024 0.000 0.321 63 F C -1.225 173.713 175.800 -1.437 0.000 1.065 63 F CA -2.623 54.781 58.000 -0.993 0.000 0.934 63 F CB 1.418 40.028 39.000 -0.651 0.000 1.215 63 F HN 0.207 nan 8.300 nan 0.000 0.471 64 P HA 0.104 nan 4.420 nan 0.000 0.229 64 P C -0.349 176.842 177.300 -0.182 0.000 1.160 64 P CA 0.853 63.730 63.100 -0.372 0.000 0.777 64 P CB 0.545 32.289 31.700 0.073 0.000 0.814 65 A N -0.659 122.051 122.820 -0.184 0.000 2.605 65 A HA 0.509 4.844 4.320 0.024 0.000 0.294 65 A C -2.395 175.086 177.584 -0.172 0.000 1.062 65 A CA -1.032 50.941 52.037 -0.106 0.000 0.682 65 A CB 0.505 19.510 19.000 0.009 0.000 1.278 65 A HN -0.295 nan 8.150 nan 0.000 0.410 66 P HA -0.152 nan 4.420 nan 0.000 0.216 66 P C 0.692 177.884 177.300 -0.180 0.000 1.150 66 P CA 1.608 64.566 63.100 -0.237 0.000 0.837 66 P CB 0.202 31.735 31.700 -0.277 0.000 0.786 67 E N 0.013 120.170 120.200 -0.070 0.000 2.401 67 E HA -0.044 4.320 4.350 0.024 0.000 0.199 67 E C 1.921 178.462 176.600 -0.098 0.000 1.023 67 E CA 1.095 57.468 56.400 -0.045 0.000 0.859 67 E CB -0.797 28.916 29.700 0.022 0.000 0.780 67 E HN 0.271 nan 8.360 nan 0.000 0.523 68 A N 0.314 123.046 122.820 -0.146 0.000 2.275 68 A HA 0.135 4.469 4.320 0.024 0.000 0.212 68 A C 0.609 177.965 177.584 -0.379 0.000 1.201 68 A CA -0.208 51.751 52.037 -0.130 0.000 0.843 68 A CB 0.343 19.346 19.000 0.006 0.000 0.873 68 A HN 0.040 nan 8.150 nan 0.000 0.492 69 V N 2.778 122.342 119.914 -0.584 0.000 2.530 69 V HA 0.241 4.376 4.120 0.024 0.000 0.282 69 V C -2.231 173.577 176.094 -0.477 0.000 1.048 69 V CA -1.408 60.346 62.300 -0.908 0.000 0.997 69 V CB 0.856 32.153 31.823 -0.876 0.000 0.987 69 V HN 0.307 nan 8.190 nan 0.000 0.477 70 P HA 0.341 nan 4.420 nan 0.000 0.285 70 P C 0.150 177.389 177.300 -0.101 0.000 1.259 70 P CA -0.532 62.463 63.100 -0.176 0.000 0.794 70 P CB 1.301 32.947 31.700 -0.089 0.000 0.940 71 E N 1.080 121.231 120.200 -0.082 0.000 2.097 71 E HA -0.214 4.150 4.350 0.024 0.000 0.196 71 E C 1.907 178.465 176.600 -0.069 0.000 1.000 71 E CA 2.170 58.521 56.400 -0.081 0.000 0.804 71 E CB -1.183 28.477 29.700 -0.066 0.000 0.740 71 E HN 0.543 nan 8.360 nan 0.000 0.454 72 S N 0.275 115.955 115.700 -0.033 0.000 2.407 72 S HA -0.277 4.207 4.470 0.024 0.000 0.235 72 S C 1.765 176.348 174.600 -0.028 0.000 1.036 72 S CA 1.155 59.340 58.200 -0.025 0.000 1.013 72 S CB -1.010 62.194 63.200 0.007 0.000 0.820 72 S HN 0.542 nan 8.310 nan 0.000 0.476 73 W N 2.663 123.856 121.300 -0.177 0.000 2.308 73 W HA -0.130 4.544 4.660 0.024 0.000 0.301 73 W C 1.736 178.129 176.519 -0.210 0.000 1.220 73 W CA 1.374 58.606 57.345 -0.188 0.000 1.240 73 W CB -0.537 28.768 29.460 -0.259 0.000 1.142 73 W HN 0.292 nan 8.180 nan 0.000 0.521 74 L N 0.196 121.142 121.223 -0.461 0.000 2.141 74 L HA -0.176 4.179 4.340 0.024 0.000 0.209 74 L C 2.520 179.141 176.870 -0.415 0.000 1.094 74 L CA 1.263 55.703 54.840 -0.667 0.000 0.763 74 L CB -0.849 40.866 42.059 -0.573 0.000 0.908 74 L HN -0.051 nan 8.230 nan 0.000 0.437 75 E N -0.314 119.727 120.200 -0.266 0.000 2.060 75 E HA -0.017 4.347 4.350 0.024 0.000 0.189 75 E C 0.720 177.235 176.600 -0.141 0.000 0.974 75 E CA 0.882 57.187 56.400 -0.159 0.000 0.808 75 E CB 0.168 29.811 29.700 -0.096 0.000 0.768 75 E HN 0.562 nan 8.360 nan 0.000 0.453 76 C N -0.433 118.788 119.300 -0.131 0.000 3.288 76 C HA 0.505 4.980 4.460 0.024 0.000 0.318 76 C C -0.311 174.652 174.990 -0.046 0.000 1.356 76 C CA -1.550 57.417 59.018 -0.085 0.000 1.359 76 C CB 1.045 28.761 27.740 -0.041 0.000 1.688 76 C HN 0.161 nan 8.230 nan 0.000 0.467 77 D N 0.519 120.910 120.400 -0.014 0.000 2.548 77 D HA 0.238 4.892 4.640 0.024 0.000 0.231 77 D C -0.279 176.083 176.300 0.103 0.000 1.142 77 D CA 0.439 54.475 54.000 0.060 0.000 0.866 77 D CB 0.497 41.329 40.800 0.053 0.000 1.190 77 D HN 0.607 nan 8.370 nan 0.000 0.469 78 L N 5.915 127.247 121.223 0.181 0.000 2.281 78 L HA 0.228 4.583 4.340 0.024 0.000 0.285 78 L C -1.044 175.886 176.870 0.100 0.000 1.074 78 L CA -1.549 53.383 54.840 0.154 0.000 0.817 78 L CB 1.300 43.474 42.059 0.192 0.000 1.168 78 L HN 0.548 nan 8.230 nan 0.000 0.434 79 P HA -0.253 nan 4.420 nan 0.000 0.217 79 P C 0.837 178.166 177.300 0.049 0.000 1.162 79 P CA 1.608 64.739 63.100 0.051 0.000 0.901 79 P CB 0.185 31.908 31.700 0.039 0.000 0.793 80 E N 0.181 120.406 120.200 0.043 0.000 2.333 80 E HA 0.074 4.439 4.350 0.024 0.000 0.198 80 E C 1.251 177.864 176.600 0.021 0.000 1.007 80 E CA 0.540 56.954 56.400 0.024 0.000 0.845 80 E CB -0.890 28.813 29.700 0.005 0.000 0.766 80 E HN 0.303 nan 8.360 nan 0.000 0.507 81 A N 1.176 124.020 122.820 0.040 0.000 2.455 81 A HA 0.082 4.416 4.320 0.024 0.000 0.244 81 A C 0.039 177.671 177.584 0.081 0.000 1.099 81 A CA 0.016 52.076 52.037 0.038 0.000 0.786 81 A CB 0.267 19.323 19.000 0.093 0.000 1.051 81 A HN -0.006 nan 8.150 nan 0.000 0.508 82 D N -0.736 119.740 120.400 0.127 0.000 2.340 82 D HA 0.506 5.161 4.640 0.024 0.000 0.240 82 D C -0.718 175.695 176.300 0.189 0.000 1.001 82 D CA -0.000 54.099 54.000 0.166 0.000 0.888 82 D CB 1.646 42.592 40.800 0.245 0.000 1.310 82 D HN 0.402 nan 8.370 nan 0.000 0.474 83 T N 0.890 115.532 114.554 0.146 0.000 2.729 83 T HA 0.455 4.819 4.350 0.024 0.000 0.296 83 T C 0.258 175.039 174.700 0.135 0.000 0.928 83 T CA -0.484 61.707 62.100 0.152 0.000 1.045 83 T CB 0.334 69.272 68.868 0.116 0.000 0.902 83 T HN 0.237 nan 8.240 nan 0.000 0.500 84 V N 1.618 121.645 119.914 0.189 0.000 3.074 84 V HA 0.811 4.946 4.120 0.024 0.000 0.314 84 V C -0.236 175.979 176.094 0.203 0.000 1.117 84 V CA -0.992 61.383 62.300 0.125 0.000 1.014 84 V CB 1.825 33.732 31.823 0.140 0.000 1.057 84 V HN 0.495 nan 8.190 nan 0.000 0.438 85 V N 2.389 122.404 119.914 0.168 0.000 2.607 85 V HA 0.572 4.706 4.120 0.024 0.000 0.289 85 V C -0.103 176.097 176.094 0.176 0.000 1.053 85 V CA -0.101 62.308 62.300 0.182 0.000 0.996 85 V CB 1.642 33.538 31.823 0.121 0.000 0.995 85 V HN 0.797 nan 8.190 nan 0.000 0.476 86 V N 6.753 126.697 119.914 0.050 0.000 2.588 86 V HA 0.461 4.596 4.120 0.024 0.000 0.304 86 V C -2.350 173.640 176.094 -0.173 0.000 1.042 86 V CA -1.625 60.555 62.300 -0.200 0.000 0.877 86 V CB 2.341 33.678 31.823 -0.809 0.000 0.996 86 V HN 0.769 nan 8.190 nan 0.000 0.425 87 P HA 0.512 nan 4.420 nan 0.000 0.276 87 P C -0.762 176.480 177.300 -0.096 0.000 1.244 87 P CA -0.150 62.834 63.100 -0.194 0.000 0.801 87 P CB 1.506 33.097 31.700 -0.182 0.000 1.006 88 S N 0.144 115.797 115.700 -0.079 0.000 2.636 88 S HA 0.420 4.904 4.470 0.024 0.000 0.266 88 S C -1.306 173.220 174.600 -0.123 0.000 1.147 88 S CA -1.026 57.109 58.200 -0.109 0.000 0.815 88 S CB 0.395 63.484 63.200 -0.185 0.000 1.119 88 S HN 0.369 nan 8.310 nan 0.000 0.470 89 N N 0.968 119.521 118.700 -0.245 0.000 2.408 89 N HA 0.423 5.178 4.740 0.024 0.000 0.280 89 N C 0.500 175.814 175.510 -0.326 0.000 1.002 89 N CA -0.836 52.039 53.050 -0.291 0.000 0.907 89 N CB 0.739 39.020 38.487 -0.343 0.000 1.161 89 N HN 0.850 nan 8.380 nan 0.000 0.488 90 W N 2.653 123.815 121.300 -0.229 0.000 2.364 90 W HA -0.142 4.533 4.660 0.025 0.000 0.281 90 W C 0.907 177.419 176.519 -0.012 0.000 1.219 90 W CA 0.932 58.161 57.345 -0.195 0.000 1.220 90 W CB -0.411 28.904 29.460 -0.242 0.000 1.127 90 W HN 0.500 nan 8.180 nan 0.000 0.556 91 Q N 0.438 120.211 119.800 -0.046 0.000 2.167 91 Q HA -0.093 4.261 4.340 0.024 0.000 0.202 91 Q C 2.187 178.124 176.000 -0.106 0.000 0.970 91 Q CA 1.740 57.513 55.803 -0.050 0.000 0.855 91 Q CB -0.674 27.923 28.738 -0.236 0.000 0.911 91 Q HN 0.289 nan 8.270 nan 0.000 0.438 92 M N -0.707 118.781 119.600 -0.187 0.000 2.476 92 M HA -0.068 4.427 4.480 0.024 0.000 0.262 92 M C 0.698 177.028 176.300 0.049 0.000 1.079 92 M CA 1.415 56.622 55.300 -0.156 0.000 1.104 92 M CB -0.614 31.866 32.600 -0.200 0.000 1.409 92 M HN 0.390 nan 8.290 nan 0.000 0.467 93 H N -0.982 118.116 119.070 0.047 0.000 2.549 93 H HA 0.293 4.863 4.556 0.024 0.000 0.279 93 H C 1.321 176.546 175.328 -0.172 0.000 1.018 93 H CA 0.094 56.159 56.048 0.028 0.000 1.175 93 H CB 0.430 30.321 29.762 0.215 0.000 1.485 93 H HN 0.559 nan 8.280 nan 0.000 0.543 94 G N 0.569 109.355 108.800 -0.023 0.000 2.176 94 G HA2 -0.383 3.592 3.960 0.024 0.000 0.253 94 G HA3 -0.383 3.592 3.960 0.024 0.000 0.253 94 G C 0.521 175.233 174.900 -0.313 0.000 0.979 94 G CA 0.358 45.357 45.100 -0.169 0.000 0.641 94 G HN 0.480 nan 8.290 nan 0.000 0.530 95 Y N 1.868 122.183 120.300 0.026 0.000 2.274 95 Y HA 0.190 4.754 4.550 0.024 0.000 0.290 95 Y C 1.700 177.353 175.900 -0.413 0.000 1.145 95 Y CA 1.802 59.784 58.100 -0.197 0.000 1.203 95 Y CB 0.136 38.571 38.460 -0.042 0.000 0.984 95 Y HN 0.675 nan 8.280 nan 0.000 0.533 96 D N -2.333 118.103 120.400 0.060 0.000 2.692 96 D HA 0.443 5.097 4.640 0.024 0.000 0.290 96 D C -1.218 175.153 176.300 0.118 0.000 1.281 96 D CA -0.714 53.319 54.000 0.055 0.000 0.804 96 D CB 0.657 41.591 40.800 0.224 0.000 1.331 96 D HN -0.038 nan 8.370 nan 0.000 0.432 97 A N 0.104 123.003 122.820 0.132 0.000 2.354 97 A HA 0.667 5.002 4.320 0.024 0.000 0.269 97 A C -2.284 175.335 177.584 0.059 0.000 1.109 97 A CA -0.984 51.123 52.037 0.118 0.000 0.800 97 A CB -0.061 19.066 19.000 0.213 0.000 1.045 97 A HN 0.536 nan 8.150 nan 0.000 0.489 98 P HA 0.529 nan 4.420 nan 0.000 0.282 98 P C -0.979 176.473 177.300 0.252 0.000 1.249 98 P CA -0.100 62.946 63.100 -0.090 0.000 0.806 98 P CB 0.951 32.335 31.700 -0.526 0.000 0.984 99 I N 2.321 123.124 120.570 0.389 0.000 2.474 99 I HA 0.307 4.492 4.170 0.024 0.000 0.294 99 I C -0.509 175.808 176.117 0.334 0.000 1.005 99 I CA -1.036 60.505 61.300 0.402 0.000 1.113 99 I CB 1.738 39.912 38.000 0.289 0.000 1.289 99 I HN 0.272 nan 8.210 nan 0.000 0.436 100 Y N 5.249 125.513 120.300 -0.061 0.000 2.491 100 Y HA 0.528 5.093 4.550 0.024 0.000 0.334 100 Y C -0.295 175.474 175.900 -0.219 0.000 0.969 100 Y CA -0.443 57.359 58.100 -0.495 0.000 1.241 100 Y CB 1.085 38.756 38.460 -1.315 0.000 1.105 100 Y HN 0.581 nan 8.280 nan 0.000 0.503 101 T N 5.158 119.211 114.554 -0.835 0.000 2.886 101 T HA 0.249 4.613 4.350 0.024 0.000 0.292 101 T C 0.223 174.487 174.700 -0.726 0.000 1.012 101 T CA -0.604 61.056 62.100 -0.733 0.000 0.982 101 T CB 1.047 69.717 68.868 -0.329 0.000 1.018 101 T HN 0.744 nan 8.240 nan 0.000 0.451 102 N N 2.977 121.295 118.700 -0.637 0.000 2.220 102 N HA 0.022 4.777 4.740 0.024 0.000 0.193 102 N C 1.602 176.894 175.510 -0.363 0.000 1.052 102 N CA 1.721 54.564 53.050 -0.345 0.000 0.898 102 N CB -0.688 37.648 38.487 -0.251 0.000 1.080 102 N HN 0.388 nan 8.380 nan 0.000 0.467 103 V N 0.195 119.811 119.914 -0.496 0.000 2.374 103 V HA 0.078 4.213 4.120 0.024 0.000 0.241 103 V C 0.420 176.224 176.094 -0.483 0.000 1.034 103 V CA 1.017 62.929 62.300 -0.646 0.000 1.037 103 V CB -0.792 30.540 31.823 -0.818 0.000 0.682 103 V HN 0.361 nan 8.190 nan 0.000 0.463 104 T N 1.214 115.550 114.554 -0.363 0.000 2.829 104 T HA 0.125 4.489 4.350 0.024 0.000 0.293 104 T C -0.347 174.237 174.700 -0.193 0.000 0.970 104 T CA 0.226 62.187 62.100 -0.232 0.000 1.168 104 T CB -0.381 68.380 68.868 -0.178 0.000 0.911 104 T HN 0.188 nan 8.240 nan 0.000 0.535 105 Y N 4.890 125.101 120.300 -0.148 0.000 2.702 105 Y HA 0.088 4.652 4.550 0.024 0.000 0.336 105 Y C -0.894 174.892 175.900 -0.189 0.000 1.235 105 Y CA -1.698 56.308 58.100 -0.158 0.000 1.492 105 Y CB 0.411 38.774 38.460 -0.162 0.000 1.308 105 Y HN 0.531 nan 8.280 nan 0.000 0.589 106 P HA 0.001 nan 4.420 nan 0.000 0.242 106 P C -0.450 176.665 177.300 -0.308 0.000 1.197 106 P CA 1.023 64.047 63.100 -0.127 0.000 0.765 106 P CB -0.102 31.567 31.700 -0.051 0.000 0.936 107 I N -6.170 114.181 120.570 -0.366 0.000 3.174 107 I HA 0.496 4.681 4.170 0.024 0.000 0.313 107 I C -0.596 175.378 176.117 -0.238 0.000 1.155 107 I CA -1.280 59.756 61.300 -0.440 0.000 0.977 107 I CB 1.566 39.099 38.000 -0.779 0.000 1.248 107 I HN -0.495 nan 8.210 nan 0.000 0.453 108 T N 2.541 116.998 114.554 -0.162 0.000 2.902 108 T HA 0.166 4.531 4.350 0.024 0.000 0.301 108 T C 0.150 174.826 174.700 -0.040 0.000 1.012 108 T CA -0.212 61.848 62.100 -0.066 0.000 1.151 108 T CB 0.510 69.367 68.868 -0.018 0.000 0.946 108 T HN 0.377 nan 8.240 nan 0.000 0.542 109 V N 4.930 124.841 119.914 -0.006 0.000 2.397 109 V HA 0.253 4.388 4.120 0.024 0.000 0.262 109 V C 0.662 176.806 176.094 0.084 0.000 1.047 109 V CA -0.133 62.188 62.300 0.035 0.000 1.003 109 V CB -0.127 31.701 31.823 0.010 0.000 1.037 109 V HN 0.939 nan 8.190 nan 0.000 0.480 110 N N 5.921 124.736 118.700 0.191 0.000 3.091 110 N HA 0.201 4.956 4.740 0.024 0.000 0.185 110 N C -3.085 172.501 175.510 0.128 0.000 1.398 110 N CA -0.834 52.300 53.050 0.141 0.000 0.938 110 N CB 1.413 40.020 38.487 0.201 0.000 1.605 110 N HN 0.267 nan 8.380 nan 0.000 0.597 111 P HA 0.275 nan 4.420 nan 0.000 0.271 111 P C -2.303 174.737 177.300 -0.434 0.000 1.218 111 P CA -0.871 61.799 63.100 -0.717 0.000 0.780 111 P CB 0.495 31.550 31.700 -1.073 0.000 0.901 112 P HA 0.247 nan 4.420 nan 0.000 0.254 112 P C -0.622 176.522 177.300 -0.261 0.000 1.620 112 P CA -0.285 62.586 63.100 -0.381 0.000 1.050 112 P CB -0.174 31.309 31.700 -0.361 0.000 1.539 113 F N 0.834 120.909 119.950 0.207 0.000 2.371 113 F HA 0.347 4.889 4.527 0.025 0.000 0.329 113 F C 1.333 177.290 175.800 0.261 0.000 1.107 113 F CA -0.922 57.198 58.000 0.200 0.000 1.137 113 F CB 0.965 40.027 39.000 0.104 0.000 1.214 113 F HN -0.195 nan 8.300 nan 0.000 0.536 114 V N -0.565 119.603 119.914 0.423 0.000 3.113 114 V HA 0.711 4.846 4.120 0.024 0.000 0.316 114 V C -2.770 173.469 176.094 0.243 0.000 1.125 114 V CA -2.948 59.511 62.300 0.266 0.000 1.026 114 V CB 1.417 33.453 31.823 0.354 0.000 1.080 114 V HN 0.480 nan 8.190 nan 0.000 0.444 115 P HA 0.220 nan 4.420 nan 0.000 0.268 115 P C 1.051 178.491 177.300 0.234 0.000 1.205 115 P CA 0.411 63.602 63.100 0.151 0.000 0.771 115 P CB 0.608 32.373 31.700 0.107 0.000 0.858 116 T N -1.247 113.417 114.554 0.184 0.000 2.788 116 T HA -0.102 4.262 4.350 0.024 0.000 0.268 116 T C 0.678 175.491 174.700 0.188 0.000 1.044 116 T CA 0.988 63.199 62.100 0.185 0.000 1.139 116 T CB -0.419 68.523 68.868 0.123 0.000 0.867 116 T HN 0.310 nan 8.240 nan 0.000 0.454 117 E N 3.009 123.321 120.200 0.188 0.000 1.941 117 E HA 0.240 4.604 4.350 0.024 0.000 0.275 117 E C -0.699 176.073 176.600 0.287 0.000 1.113 117 E CA -0.103 56.417 56.400 0.201 0.000 0.878 117 E CB 0.237 30.059 29.700 0.203 0.000 1.070 117 E HN 0.327 nan 8.360 nan 0.000 0.399 118 N N 4.108 122.955 118.700 0.244 0.000 2.682 118 N HA 0.227 4.981 4.740 0.024 0.000 0.252 118 N C -2.839 172.718 175.510 0.078 0.000 1.081 118 N CA -2.317 50.914 53.050 0.302 0.000 0.844 118 N CB 1.058 39.717 38.487 0.287 0.000 1.167 118 N HN -0.051 nan 8.380 nan 0.000 0.523 119 P HA -0.019 nan 4.420 nan 0.000 0.257 119 P C -0.743 176.454 177.300 -0.173 0.000 1.162 119 P CA 0.608 63.664 63.100 -0.073 0.000 0.762 119 P CB 0.238 32.180 31.700 0.403 0.000 0.753 120 T N 2.797 117.003 114.554 -0.579 0.000 2.807 120 T HA 0.610 4.974 4.350 0.024 0.000 0.279 120 T C 0.339 174.527 174.700 -0.853 0.000 0.993 120 T CA -0.564 61.232 62.100 -0.507 0.000 0.970 120 T CB 1.706 70.322 68.868 -0.420 0.000 0.950 120 T HN 0.346 nan 8.240 nan 0.000 0.441 121 G N 0.850 109.248 108.800 -0.669 0.000 2.487 121 G HA2 0.488 4.462 3.960 0.024 0.000 0.314 121 G HA3 0.488 4.462 3.960 0.024 0.000 0.314 121 G C -0.395 174.310 174.900 -0.325 0.000 1.267 121 G CA -0.442 44.186 45.100 -0.787 0.000 0.937 121 G HN 0.885 nan 8.290 nan 0.000 0.481 122 C N 3.244 122.123 119.300 -0.701 0.000 2.200 122 C HA 0.440 4.914 4.460 0.024 0.000 0.328 122 C C -0.383 174.629 174.990 0.036 0.000 1.148 122 C CA -0.966 57.755 59.018 -0.495 0.000 1.624 122 C CB -2.014 24.941 27.740 -1.309 0.000 2.167 122 C HN 0.610 nan 8.230 nan 0.000 0.484 123 Y N 1.906 122.531 120.300 0.541 0.000 2.352 123 Y HA 0.606 5.170 4.550 0.024 0.000 0.326 123 Y C 0.900 177.278 175.900 0.796 0.000 1.166 123 Y CA -0.004 58.526 58.100 0.716 0.000 1.182 123 Y CB 1.384 40.252 38.460 0.681 0.000 1.216 123 Y HN 0.680 nan 8.280 nan 0.000 0.474 124 S N 2.319 118.495 115.700 0.793 0.000 2.579 124 S HA 0.812 5.296 4.470 0.024 0.000 0.272 124 S C -1.766 172.861 174.600 0.045 0.000 1.141 124 S CA -0.893 57.537 58.200 0.384 0.000 0.843 124 S CB 2.133 65.462 63.200 0.214 0.000 1.122 124 S HN 0.670 nan 8.310 nan 0.000 0.468 125 L N 0.622 121.693 121.223 -0.254 0.000 2.493 125 L HA 0.724 5.079 4.340 0.024 0.000 0.265 125 L C -1.265 175.543 176.870 -0.104 0.000 0.954 125 L CA 0.044 54.577 54.840 -0.511 0.000 0.844 125 L CB 2.336 43.438 42.059 -1.595 0.000 1.302 125 L HN 0.846 nan 8.230 nan 0.000 0.405 126 T N 5.640 120.171 114.554 -0.039 0.000 2.749 126 T HA 0.721 5.085 4.350 0.024 0.000 0.287 126 T C -0.796 173.968 174.700 0.107 0.000 0.970 126 T CA 0.006 62.128 62.100 0.037 0.000 0.980 126 T CB 0.263 69.110 68.868 -0.036 0.000 0.924 126 T HN 0.475 nan 8.240 nan 0.000 0.456 127 F N 1.178 121.037 119.950 -0.151 0.000 2.715 127 F HA 0.740 5.282 4.527 0.024 0.000 0.318 127 F C -0.853 174.878 175.800 -0.115 0.000 1.141 127 F CA -1.583 56.332 58.000 -0.142 0.000 0.950 127 F CB 1.476 40.374 39.000 -0.171 0.000 1.374 127 F HN 0.367 nan 8.300 nan 0.000 0.477 128 N N 0.270 118.860 118.700 -0.182 0.000 2.399 128 N HA 0.638 5.392 4.740 0.024 0.000 0.295 128 N C -1.960 173.414 175.510 -0.228 0.000 1.048 128 N CA -0.506 52.389 53.050 -0.259 0.000 0.886 128 N CB 2.062 40.462 38.487 -0.146 0.000 1.185 128 N HN 0.653 nan 8.380 nan 0.000 0.487 129 V N 2.114 121.868 119.914 -0.268 0.000 2.513 129 V HA 0.344 4.479 4.120 0.024 0.000 0.299 129 V C -0.467 175.516 176.094 -0.185 0.000 1.035 129 V CA -0.767 61.404 62.300 -0.214 0.000 0.889 129 V CB 1.675 33.428 31.823 -0.117 0.000 0.988 129 V HN 0.744 nan 8.190 nan 0.000 0.440 130 D N 1.857 122.102 120.400 -0.259 0.000 2.264 130 D HA 0.285 4.939 4.640 0.024 0.000 0.249 130 D C 0.938 177.249 176.300 0.017 0.000 1.070 130 D CA -0.333 53.588 54.000 -0.132 0.000 0.912 130 D CB 1.596 42.306 40.800 -0.149 0.000 1.193 130 D HN 0.714 nan 8.370 nan 0.000 0.427 131 E N 0.806 121.028 120.200 0.036 0.000 2.097 131 E HA -0.225 4.140 4.350 0.024 0.000 0.196 131 E C 1.452 178.128 176.600 0.126 0.000 1.000 131 E CA 1.773 58.217 56.400 0.072 0.000 0.804 131 E CB -0.024 29.701 29.700 0.041 0.000 0.740 131 E HN 0.467 nan 8.360 nan 0.000 0.454 132 S N -0.431 115.353 115.700 0.139 0.000 2.392 132 S HA -0.219 4.266 4.470 0.024 0.000 0.232 132 S C 1.678 176.369 174.600 0.152 0.000 1.041 132 S CA 1.391 59.675 58.200 0.140 0.000 1.026 132 S CB -0.846 62.455 63.200 0.169 0.000 0.845 132 S HN 0.421 nan 8.310 nan 0.000 0.465 133 W N 1.689 122.945 121.300 -0.072 0.000 2.436 133 W HA 0.275 4.950 4.660 0.024 0.000 0.284 133 W C 1.963 178.572 176.519 0.149 0.000 1.225 133 W CA 0.098 57.425 57.345 -0.029 0.000 1.271 133 W CB -0.530 28.975 29.460 0.075 0.000 1.114 133 W HN 0.269 nan 8.180 nan 0.000 0.559 134 L N -0.281 121.129 121.223 0.312 0.000 2.463 134 L HA 0.006 4.361 4.340 0.024 0.000 0.219 134 L C 2.352 179.310 176.870 0.148 0.000 1.088 134 L CA 0.378 55.348 54.840 0.216 0.000 0.849 134 L CB -0.918 41.238 42.059 0.161 0.000 1.012 134 L HN 0.016 nan 8.230 nan 0.000 0.468 135 Q N 1.823 121.698 119.800 0.125 0.000 2.061 135 Q HA -0.122 4.233 4.340 0.024 0.000 0.204 135 Q C 0.467 176.520 176.000 0.088 0.000 0.984 135 Q CA 1.256 57.110 55.803 0.085 0.000 0.846 135 Q CB -0.277 28.497 28.738 0.061 0.000 0.902 135 Q HN 0.668 nan 8.270 nan 0.000 0.421 136 E N -0.568 119.701 120.200 0.115 0.000 2.433 136 E HA 0.526 4.891 4.350 0.024 0.000 0.273 136 E C 0.012 176.740 176.600 0.213 0.000 0.950 136 E CA -0.612 55.858 56.400 0.117 0.000 0.796 136 E CB 1.808 31.555 29.700 0.079 0.000 1.330 136 E HN 0.180 nan 8.360 nan 0.000 0.455 137 G N 0.578 109.442 108.800 0.106 0.000 2.698 137 G HA2 -0.281 3.694 3.960 0.024 0.000 0.233 137 G HA3 -0.281 3.694 3.960 0.024 0.000 0.233 137 G C -0.771 174.008 174.900 -0.202 0.000 1.352 137 G CA 0.158 45.236 45.100 -0.037 0.000 0.879 137 G HN 0.729 nan 8.290 nan 0.000 0.567 138 Q N -0.489 118.990 119.800 -0.534 0.000 2.353 138 Q HA 0.640 4.995 4.340 0.024 0.000 0.268 138 Q C -1.034 174.705 176.000 -0.436 0.000 1.045 138 Q CA -0.437 55.157 55.803 -0.348 0.000 0.811 138 Q CB 1.601 30.214 28.738 -0.209 0.000 1.305 138 Q HN 0.632 nan 8.270 nan 0.000 0.447 139 T N 4.921 119.423 114.554 -0.087 0.000 2.791 139 T HA 0.495 4.860 4.350 0.024 0.000 0.288 139 T C -0.701 174.087 174.700 0.146 0.000 0.999 139 T CA -0.677 61.485 62.100 0.102 0.000 0.952 139 T CB 0.601 69.694 68.868 0.375 0.000 0.938 139 T HN 0.631 nan 8.240 nan 0.000 0.444 140 R N 2.839 123.418 120.500 0.132 0.000 2.807 140 R HA 0.779 5.134 4.340 0.024 0.000 0.276 140 R C -1.261 175.129 176.300 0.151 0.000 0.979 140 R CA -1.003 55.184 56.100 0.144 0.000 0.928 140 R CB 1.668 32.027 30.300 0.099 0.000 1.191 140 R HN 0.564 nan 8.270 nan 0.000 0.471 141 I N 2.457 123.119 120.570 0.154 0.000 2.460 141 I HA 0.439 4.623 4.170 0.024 0.000 0.298 141 I C -1.162 174.985 176.117 0.051 0.000 0.989 141 I CA -1.377 59.953 61.300 0.049 0.000 1.173 141 I CB 1.418 39.422 38.000 0.006 0.000 1.338 141 I HN 0.641 nan 8.210 nan 0.000 0.456 142 I N 7.170 127.668 120.570 -0.120 0.000 2.447 142 I HA 0.284 4.468 4.170 0.024 0.000 0.287 142 I C -1.230 174.734 176.117 -0.255 0.000 1.023 142 I CA -0.207 61.053 61.300 -0.068 0.000 1.083 142 I CB 1.501 39.472 38.000 -0.049 0.000 1.245 142 I HN 0.341 nan 8.210 nan 0.000 0.434 143 F N 4.819 124.747 119.950 -0.037 0.000 2.313 143 F HA 0.276 4.818 4.527 0.024 0.000 0.369 143 F C 1.354 177.023 175.800 -0.217 0.000 1.109 143 F CA -0.463 57.433 58.000 -0.174 0.000 1.132 143 F CB 0.672 39.511 39.000 -0.269 0.000 1.291 143 F HN 0.479 nan 8.300 nan 0.000 0.496 144 D N 2.410 122.713 120.400 -0.162 0.000 2.149 144 D HA -0.040 4.614 4.640 0.024 0.000 0.198 144 D C 1.103 177.219 176.300 -0.308 0.000 0.990 144 D CA 1.210 55.072 54.000 -0.230 0.000 0.839 144 D CB 0.235 40.850 40.800 -0.308 0.000 0.948 144 D HN 0.610 nan 8.370 nan 0.000 0.460 145 G N -0.540 107.980 108.800 -0.465 0.000 2.608 145 G HA2 0.466 4.440 3.960 0.024 0.000 0.285 145 G HA3 0.466 4.440 3.960 0.024 0.000 0.285 145 G C -1.404 173.119 174.900 -0.629 0.000 1.407 145 G CA -0.412 44.254 45.100 -0.723 0.000 1.276 145 G HN -0.045 nan 8.290 nan 0.000 0.587 146 V N 2.586 122.363 119.914 -0.228 0.000 2.482 146 V HA 0.498 4.632 4.120 0.024 0.000 0.295 146 V C -0.788 175.371 176.094 0.108 0.000 1.026 146 V CA -1.194 61.011 62.300 -0.159 0.000 0.856 146 V CB 1.744 33.193 31.823 -0.625 0.000 1.001 146 V HN 0.678 nan 8.190 nan 0.000 0.424 147 N N 2.571 121.370 118.700 0.165 0.000 2.443 147 N HA 0.308 5.062 4.740 0.024 0.000 0.269 147 N C 0.756 176.232 175.510 -0.057 0.000 0.985 147 N CA 0.151 53.235 53.050 0.056 0.000 0.921 147 N CB 2.277 40.689 38.487 -0.124 0.000 1.195 147 N HN 0.658 nan 8.380 nan 0.000 0.492 148 S N 2.039 117.736 115.700 -0.004 0.000 2.497 148 S HA 0.537 5.021 4.470 0.024 0.000 0.218 148 S C 0.492 175.169 174.600 0.129 0.000 1.023 148 S CA 0.186 58.432 58.200 0.077 0.000 0.913 148 S CB 0.306 63.578 63.200 0.120 0.000 0.800 148 S HN 0.666 nan 8.310 nan 0.000 0.505 149 A N 0.661 123.568 122.820 0.144 0.000 2.610 149 A HA 0.762 5.096 4.320 0.024 0.000 0.291 149 A C -1.315 176.379 177.584 0.184 0.000 1.086 149 A CA -0.996 51.101 52.037 0.099 0.000 0.677 149 A CB 0.799 19.874 19.000 0.125 0.000 1.278 149 A HN 1.075 nan 8.150 nan 0.000 0.414 150 F N -0.729 119.030 119.950 -0.318 0.000 2.719 150 F HA 0.754 5.296 4.527 0.024 0.000 0.309 150 F C -1.248 174.407 175.800 -0.242 0.000 1.138 150 F CA -0.791 57.104 58.000 -0.174 0.000 0.943 150 F CB 1.156 40.050 39.000 -0.177 0.000 1.304 150 F HN 0.640 nan 8.300 nan 0.000 0.445 151 H N 1.910 121.037 119.070 0.096 0.000 2.529 151 H HA 0.738 5.309 4.556 0.024 0.000 0.348 151 H C -1.530 173.690 175.328 -0.181 0.000 1.152 151 H CA -0.721 55.272 56.048 -0.093 0.000 1.202 151 H CB 2.467 32.190 29.762 -0.065 0.000 1.562 151 H HN 0.762 nan 8.280 nan 0.000 0.515 152 L N 3.080 124.016 121.223 -0.478 0.000 2.408 152 L HA 0.432 4.786 4.340 0.024 0.000 0.268 152 L C -1.677 174.802 176.870 -0.651 0.000 0.986 152 L CA -0.569 54.048 54.840 -0.371 0.000 0.820 152 L CB 1.523 43.235 42.059 -0.578 0.000 1.303 152 L HN 0.537 nan 8.230 nan 0.000 0.411 153 W N 4.050 125.328 121.300 -0.037 0.000 2.950 153 W HA 0.614 5.289 4.660 0.025 0.000 0.340 153 W C -1.155 175.311 176.519 -0.087 0.000 1.139 153 W CA -0.799 56.507 57.345 -0.065 0.000 1.188 153 W CB 2.032 31.498 29.460 0.009 0.000 1.426 153 W HN 0.609 nan 8.180 nan 0.000 0.531 154 C N 3.793 123.182 119.300 0.148 0.000 2.482 154 C HA 0.321 4.795 4.460 0.024 0.000 0.317 154 C C 0.388 175.510 174.990 0.222 0.000 1.197 154 C CA -0.327 58.781 59.018 0.149 0.000 1.432 154 C CB -0.053 27.728 27.740 0.068 0.000 2.062 154 C HN 0.809 nan 8.230 nan 0.000 0.471 155 N N 3.318 122.111 118.700 0.156 0.000 2.708 155 N HA -0.198 4.557 4.740 0.024 0.000 0.251 155 N C 1.004 176.584 175.510 0.117 0.000 1.017 155 N CA 2.055 55.169 53.050 0.106 0.000 0.742 155 N CB -1.198 37.351 38.487 0.104 0.000 0.943 155 N HN 1.742 nan 8.380 nan 0.000 0.539 156 G N -1.330 107.529 108.800 0.100 0.000 2.268 156 G HA2 -0.377 3.597 3.960 0.024 0.000 0.240 156 G HA3 -0.377 3.597 3.960 0.024 0.000 0.240 156 G C 0.060 175.117 174.900 0.261 0.000 1.010 156 G CA 0.552 45.706 45.100 0.089 0.000 0.618 156 G HN 0.699 nan 8.290 nan 0.000 0.516 157 R N -0.793 119.926 120.500 0.365 0.000 2.407 157 R HA 0.554 4.909 4.340 0.024 0.000 0.303 157 R C -0.215 176.386 176.300 0.502 0.000 0.981 157 R CA -0.921 55.478 56.100 0.498 0.000 0.905 157 R CB 0.998 31.578 30.300 0.466 0.000 1.099 157 R HN 0.197 nan 8.270 nan 0.000 0.459 158 W N 3.905 125.386 121.300 0.302 0.000 2.381 158 W HA 0.118 4.792 4.660 0.024 0.000 0.321 158 W C 0.035 176.412 176.519 -0.236 0.000 1.407 158 W CA -0.161 57.058 57.345 -0.210 0.000 1.274 158 W CB 0.622 29.973 29.460 -0.183 0.000 1.310 158 W HN 0.477 nan 8.180 nan 0.000 0.551 159 V N 5.735 124.858 119.914 -1.318 0.000 2.521 159 V HA 0.508 4.642 4.120 0.024 0.000 0.239 159 V C 1.164 176.255 176.094 -1.672 0.000 1.053 159 V CA 1.169 62.662 62.300 -1.344 0.000 1.073 159 V CB -0.736 30.346 31.823 -1.234 0.000 0.746 159 V HN 0.764 nan 8.190 nan 0.000 0.476 160 G N -1.946 105.663 108.800 -1.985 0.000 2.428 160 G HA2 0.479 4.454 3.960 0.024 0.000 0.304 160 G HA3 0.479 4.454 3.960 0.024 0.000 0.304 160 G C -2.441 172.004 174.900 -0.759 0.000 1.303 160 G CA -0.340 43.955 45.100 -1.343 0.000 0.825 160 G HN 0.002 nan 8.290 nan 0.000 0.484 161 Y N -0.481 119.579 120.300 -0.399 0.000 2.581 161 Y HA 0.746 5.310 4.550 0.024 0.000 0.345 161 Y C 0.025 175.704 175.900 -0.369 0.000 1.036 161 Y CA -0.064 57.733 58.100 -0.506 0.000 1.042 161 Y CB 2.393 40.714 38.460 -0.232 0.000 1.289 161 Y HN 1.250 nan 8.280 nan 0.000 0.471 162 G N 3.525 111.423 108.800 -1.504 0.000 2.732 162 G HA2 0.525 4.499 3.960 0.024 0.000 0.296 162 G HA3 0.525 4.499 3.960 0.024 0.000 0.296 162 G C -2.190 172.262 174.900 -0.746 0.000 1.448 162 G CA -0.901 43.704 45.100 -0.825 0.000 0.911 162 G HN 0.624 nan 8.290 nan 0.000 0.528 163 Q N -0.216 119.401 119.800 -0.305 0.000 2.495 163 Q HA 0.610 4.965 4.340 0.024 0.000 0.283 163 Q C -1.218 174.793 176.000 0.017 0.000 1.097 163 Q CA -0.822 54.927 55.803 -0.091 0.000 0.836 163 Q CB 2.491 31.227 28.738 -0.004 0.000 1.426 163 Q HN 0.665 nan 8.270 nan 0.000 0.459 164 D N -0.195 120.250 120.400 0.075 0.000 4.535 164 D HA -0.101 4.553 4.640 0.024 0.000 0.236 164 D C -0.512 175.852 176.300 0.106 0.000 1.142 164 D CA 0.434 54.491 54.000 0.095 0.000 1.102 164 D CB -0.659 40.181 40.800 0.068 0.000 0.703 164 D HN 0.527 nan 8.370 nan 0.000 0.331 165 S N 3.043 118.822 115.700 0.133 0.000 2.537 165 S HA -0.082 4.402 4.470 0.024 0.000 0.240 165 S C 1.525 176.247 174.600 0.203 0.000 0.981 165 S CA 0.594 58.902 58.200 0.180 0.000 0.948 165 S CB 0.196 63.499 63.200 0.171 0.000 0.759 165 S HN 0.450 nan 8.310 nan 0.000 0.531 166 R N 0.112 120.694 120.500 0.136 0.000 2.543 166 R HA 0.434 4.788 4.340 0.024 0.000 0.323 166 R C -0.324 176.033 176.300 0.095 0.000 1.002 166 R CA 0.048 56.225 56.100 0.130 0.000 1.106 166 R CB 0.162 30.559 30.300 0.161 0.000 1.280 166 R HN 0.320 nan 8.270 nan 0.000 0.549 167 L N 1.515 122.764 121.223 0.043 0.000 2.350 167 L HA 0.535 4.890 4.340 0.024 0.000 0.260 167 L C -2.413 174.433 176.870 -0.040 0.000 1.015 167 L CA -2.282 52.560 54.840 0.002 0.000 0.821 167 L CB 3.058 45.116 42.059 -0.002 0.000 1.370 167 L HN -0.211 nan 8.230 nan 0.000 0.416 168 P HA 0.130 nan 4.420 nan 0.000 0.276 168 P C -0.992 176.280 177.300 -0.046 0.000 1.230 168 P CA -0.277 62.779 63.100 -0.074 0.000 0.776 168 P CB 1.306 32.931 31.700 -0.126 0.000 0.888 169 S N 2.214 117.952 115.700 0.062 0.000 2.433 169 S HA 0.290 4.775 4.470 0.024 0.000 0.310 169 S C -0.289 174.356 174.600 0.075 0.000 1.097 169 S CA -0.504 57.743 58.200 0.078 0.000 1.103 169 S CB 0.504 63.916 63.200 0.353 0.000 0.992 169 S HN 0.366 nan 8.310 nan 0.000 0.469 170 E N 2.178 122.201 120.200 -0.294 0.000 2.238 170 E HA 0.597 4.961 4.350 0.024 0.000 0.267 170 E C -1.426 174.780 176.600 -0.656 0.000 0.887 170 E CA -0.624 55.649 56.400 -0.212 0.000 0.769 170 E CB 1.619 31.277 29.700 -0.070 0.000 1.187 170 E HN 0.403 nan 8.360 nan 0.000 0.416 171 F N 0.303 120.309 119.950 0.093 0.000 2.578 171 F HA 0.216 4.758 4.527 0.025 0.000 0.311 171 F C -0.088 175.738 175.800 0.044 0.000 1.094 171 F CA -1.197 56.822 58.000 0.032 0.000 0.923 171 F CB 1.328 40.302 39.000 -0.043 0.000 1.230 171 F HN 0.248 nan 8.300 nan 0.000 0.450 172 D N 2.705 123.244 120.400 0.232 0.000 2.352 172 D HA 0.207 4.861 4.640 0.024 0.000 0.245 172 D C 0.499 176.958 176.300 0.265 0.000 1.224 172 D CA 0.309 54.427 54.000 0.197 0.000 0.879 172 D CB 0.806 41.699 40.800 0.155 0.000 1.057 172 D HN 0.549 nan 8.370 nan 0.000 0.491 173 L N 2.674 124.053 121.223 0.260 0.000 2.607 173 L HA 0.002 4.356 4.340 0.024 0.000 0.228 173 L C 2.082 179.193 176.870 0.401 0.000 1.123 173 L CA -0.092 54.952 54.840 0.340 0.000 0.890 173 L CB -0.053 42.164 42.059 0.264 0.000 1.103 173 L HN 0.279 nan 8.230 nan 0.000 0.468 174 S N 1.419 117.291 115.700 0.286 0.000 2.381 174 S HA -0.276 4.209 4.470 0.024 0.000 0.230 174 S C 2.014 176.705 174.600 0.152 0.000 1.052 174 S CA 1.947 60.265 58.200 0.196 0.000 1.068 174 S CB -0.103 63.166 63.200 0.116 0.000 0.918 174 S HN 0.582 nan 8.310 nan 0.000 0.448 175 A N -0.629 122.258 122.820 0.112 0.000 2.218 175 A HA 0.324 4.659 4.320 0.024 0.000 0.209 175 A C 1.359 178.795 177.584 -0.247 0.000 1.168 175 A CA 0.285 52.260 52.037 -0.103 0.000 0.804 175 A CB -0.385 18.476 19.000 -0.232 0.000 0.834 175 A HN 0.481 nan 8.150 nan 0.000 0.482 176 F N -0.450 119.545 119.950 0.074 0.000 2.746 176 F HA 0.346 4.888 4.527 0.024 0.000 0.297 176 F C 0.558 176.402 175.800 0.073 0.000 1.113 176 F CA -0.042 58.003 58.000 0.075 0.000 1.367 176 F CB 0.038 39.090 39.000 0.086 0.000 1.111 176 F HN -0.028 nan 8.300 nan 0.000 0.590 177 L N 1.100 122.470 121.223 0.244 0.000 2.379 177 L HA 0.499 4.854 4.340 0.024 0.000 0.269 177 L C 0.148 177.064 176.870 0.076 0.000 1.084 177 L CA -0.812 54.121 54.840 0.156 0.000 0.802 177 L CB 1.126 43.292 42.059 0.178 0.000 1.175 177 L HN 0.014 nan 8.230 nan 0.000 0.448 178 R N 1.454 121.964 120.500 0.017 0.000 2.832 178 R HA 0.860 5.215 4.340 0.024 0.000 0.271 178 R C -0.903 175.378 176.300 -0.032 0.000 0.996 178 R CA -0.878 55.217 56.100 -0.008 0.000 0.977 178 R CB 1.455 31.737 30.300 -0.029 0.000 1.168 178 R HN 0.564 nan 8.270 nan 0.000 0.482 179 A N 1.061 123.868 122.820 -0.021 0.000 2.388 179 A HA 0.647 4.982 4.320 0.024 0.000 0.257 179 A C 0.847 178.388 177.584 -0.072 0.000 1.095 179 A CA 0.554 52.570 52.037 -0.035 0.000 0.791 179 A CB -0.046 18.948 19.000 -0.011 0.000 1.029 179 A HN 1.220 nan 8.150 nan 0.000 0.489 180 G N 0.946 109.682 108.800 -0.106 0.000 2.545 180 G HA2 0.017 3.991 3.960 0.024 0.000 0.211 180 G HA3 0.017 3.991 3.960 0.024 0.000 0.211 180 G C -0.624 174.156 174.900 -0.200 0.000 1.167 180 G CA -0.126 44.899 45.100 -0.125 0.000 1.151 180 G HN 0.856 nan 8.290 nan 0.000 0.581 181 E N 1.938 122.024 120.200 -0.191 0.000 2.283 181 E HA 0.624 4.988 4.350 0.024 0.000 0.278 181 E C 0.191 176.594 176.600 -0.330 0.000 1.027 181 E CA -0.344 55.902 56.400 -0.258 0.000 0.843 181 E CB 0.789 30.389 29.700 -0.167 0.000 1.062 181 E HN 0.490 nan 8.360 nan 0.000 0.401 182 N N 2.096 120.453 118.700 -0.572 0.000 2.357 182 N HA 0.399 5.153 4.740 0.024 0.000 0.284 182 N C -0.873 174.405 175.510 -0.387 0.000 1.236 182 N CA -0.697 52.041 53.050 -0.520 0.000 0.774 182 N CB 2.465 40.530 38.487 -0.704 0.000 1.534 182 N HN 0.165 nan 8.380 nan 0.000 0.478 183 R N 1.460 121.911 120.500 -0.081 0.000 2.480 183 R HA 0.480 4.835 4.340 0.024 0.000 0.306 183 R C -1.127 175.279 176.300 0.178 0.000 0.958 183 R CA -0.506 55.632 56.100 0.064 0.000 0.861 183 R CB 0.987 31.267 30.300 -0.033 0.000 1.171 183 R HN 0.478 nan 8.270 nan 0.000 0.445 184 L N 3.425 124.782 121.223 0.224 0.000 2.295 184 L HA 0.612 4.967 4.340 0.024 0.000 0.285 184 L C -0.214 176.723 176.870 0.111 0.000 1.035 184 L CA -0.701 54.247 54.840 0.180 0.000 0.806 184 L CB 1.816 43.942 42.059 0.112 0.000 1.214 184 L HN 0.682 nan 8.230 nan 0.000 0.426 185 A N 4.008 126.914 122.820 0.143 0.000 2.330 185 A HA 0.758 5.093 4.320 0.024 0.000 0.313 185 A C -0.850 177.049 177.584 0.526 0.000 1.124 185 A CA -0.463 51.565 52.037 -0.017 0.000 0.774 185 A CB 1.502 19.959 19.000 -0.906 0.000 1.198 185 A HN 0.401 nan 8.150 nan 0.000 0.465 186 V N 3.634 124.008 119.914 0.766 0.000 2.380 186 V HA 0.381 4.515 4.120 0.024 0.000 0.286 186 V C -0.116 176.540 176.094 0.937 0.000 1.015 186 V CA -0.221 62.547 62.300 0.781 0.000 0.834 186 V CB 1.289 33.390 31.823 0.463 0.000 1.009 186 V HN 0.965 nan 8.190 nan 0.000 0.428 187 M N 5.844 126.029 119.600 0.975 0.000 2.069 187 M HA 0.498 4.992 4.480 0.024 0.000 0.349 187 M C -1.263 175.314 176.300 0.463 0.000 1.194 187 M CA -0.334 55.348 55.300 0.636 0.000 1.081 187 M CB 0.979 34.006 32.600 0.711 0.000 1.500 187 M HN 0.464 nan 8.290 nan 0.000 0.438 188 V N 6.945 127.087 119.914 0.380 0.000 2.350 188 V HA 0.356 4.491 4.120 0.024 0.000 0.276 188 V C -0.023 176.238 176.094 0.277 0.000 1.028 188 V CA -0.603 61.916 62.300 0.366 0.000 0.860 188 V CB 1.285 33.417 31.823 0.516 0.000 0.990 188 V HN 0.783 nan 8.190 nan 0.000 0.453 189 L N 5.022 126.345 121.223 0.167 0.000 2.292 189 L HA 0.490 4.845 4.340 0.024 0.000 0.284 189 L C 1.554 178.463 176.870 0.066 0.000 1.065 189 L CA -0.382 54.485 54.840 0.045 0.000 0.806 189 L CB 1.331 43.322 42.059 -0.112 0.000 1.175 189 L HN 0.634 nan 8.230 nan 0.000 0.431 190 R N 2.997 123.483 120.500 -0.024 0.000 2.073 190 R HA -0.070 4.284 4.340 0.024 0.000 0.234 190 R C -0.396 175.652 176.300 -0.421 0.000 1.134 190 R CA 1.399 57.263 56.100 -0.392 0.000 0.952 190 R CB 0.187 30.050 30.300 -0.730 0.000 0.850 190 R HN 0.562 nan 8.270 nan 0.000 0.433 191 W N 0.348 121.728 121.300 0.133 0.000 2.632 191 W HA 0.433 5.107 4.660 0.024 0.000 0.328 191 W C -0.433 176.212 176.519 0.209 0.000 1.044 191 W CA -0.959 56.467 57.345 0.136 0.000 1.225 191 W CB 1.769 31.308 29.460 0.131 0.000 1.396 191 W HN 0.019 nan 8.180 nan 0.000 0.499 192 S N -0.928 115.066 115.700 0.491 0.000 2.705 192 S HA 0.253 4.738 4.470 0.024 0.000 0.280 192 S C 0.183 175.039 174.600 0.426 0.000 1.174 192 S CA -0.523 57.976 58.200 0.498 0.000 0.823 192 S CB 1.295 64.759 63.200 0.441 0.000 1.162 192 S HN 0.622 nan 8.310 nan 0.000 0.487 193 D N 0.257 120.911 120.400 0.423 0.000 2.309 193 D HA 0.059 4.714 4.640 0.024 0.000 0.212 193 D C 1.724 178.343 176.300 0.531 0.000 0.968 193 D CA 1.130 55.428 54.000 0.495 0.000 0.882 193 D CB -0.667 40.303 40.800 0.283 0.000 0.918 193 D HN 0.685 nan 8.370 nan 0.000 0.503 194 G N 0.136 109.165 108.800 0.382 0.000 2.448 194 G HA2 -0.255 3.719 3.960 0.024 0.000 0.219 194 G HA3 -0.255 3.719 3.960 0.024 0.000 0.219 194 G C 1.690 176.786 174.900 0.327 0.000 1.127 194 G CA 0.681 45.982 45.100 0.335 0.000 0.766 194 G HN 0.317 nan 8.290 nan 0.000 0.552 195 S N -0.108 115.771 115.700 0.299 0.000 2.419 195 S HA -0.086 4.399 4.470 0.024 0.000 0.233 195 S C 1.862 176.589 174.600 0.211 0.000 1.016 195 S CA 0.635 58.981 58.200 0.243 0.000 0.974 195 S CB -0.387 62.952 63.200 0.231 0.000 0.786 195 S HN 0.561 nan 8.310 nan 0.000 0.492 196 Y N 1.136 121.567 120.300 0.218 0.000 2.421 196 Y HA 0.097 4.661 4.550 0.024 0.000 0.292 196 Y C 1.530 177.549 175.900 0.198 0.000 1.136 196 Y CA 0.589 58.743 58.100 0.089 0.000 1.255 196 Y CB -0.195 38.169 38.460 -0.159 0.000 0.991 196 Y HN 0.196 nan 8.280 nan 0.000 0.552 197 L N -0.362 121.072 121.223 0.351 0.000 2.700 197 L HA 0.150 4.505 4.340 0.024 0.000 0.234 197 L C -0.006 177.017 176.870 0.255 0.000 1.156 197 L CA 0.360 55.363 54.840 0.272 0.000 0.946 197 L CB 0.119 42.342 42.059 0.273 0.000 1.216 197 L HN 0.102 nan 8.230 nan 0.000 0.493 198 E N 0.009 120.374 120.200 0.275 0.000 3.846 198 E HA 0.044 4.409 4.350 0.024 0.000 0.216 198 E C -0.498 176.226 176.600 0.207 0.000 1.092 198 E CA -0.058 56.485 56.400 0.240 0.000 1.370 198 E CB 0.524 30.355 29.700 0.220 0.000 1.227 198 E HN 0.046 nan 8.360 nan 0.000 0.442 199 D N 1.110 121.593 120.400 0.139 0.000 2.538 199 D HA 0.018 4.673 4.640 0.024 0.000 0.234 199 D C -0.285 176.027 176.300 0.021 0.000 1.191 199 D CA -0.103 53.872 54.000 -0.042 0.000 0.828 199 D CB 0.190 40.698 40.800 -0.488 0.000 0.981 199 D HN 0.051 nan 8.370 nan 0.000 0.490 200 Q N 0.545 120.446 119.800 0.169 0.000 2.364 200 Q HA 0.111 4.466 4.340 0.024 0.000 0.267 200 Q C -0.083 176.047 176.000 0.217 0.000 0.999 200 Q CA 0.058 56.029 55.803 0.280 0.000 0.886 200 Q CB 0.604 29.658 28.738 0.526 0.000 1.243 200 Q HN 0.071 nan 8.270 nan 0.000 0.415 201 D N 3.543 124.094 120.400 0.253 0.000 2.489 201 D HA 0.143 4.798 4.640 0.024 0.000 0.237 201 D C -0.670 175.803 176.300 0.288 0.000 1.212 201 D CA 0.132 54.273 54.000 0.236 0.000 1.058 201 D CB -0.432 40.510 40.800 0.237 0.000 1.098 201 D HN 0.526 nan 8.370 nan 0.000 0.509 202 M N 0.090 119.819 119.600 0.216 0.000 3.147 202 M HA 0.379 4.874 4.480 0.024 0.000 0.276 202 M C -1.301 175.085 176.300 0.144 0.000 1.211 202 M CA -1.165 54.169 55.300 0.057 0.000 0.820 202 M CB 0.991 33.505 32.600 -0.144 0.000 1.621 202 M HN -0.089 nan 8.290 nan 0.000 0.507 203 W N 2.111 123.477 121.300 0.110 0.000 2.223 203 W HA 0.312 4.986 4.660 0.024 0.000 0.334 203 W C 0.279 176.814 176.519 0.027 0.000 1.334 203 W CA -0.081 57.327 57.345 0.105 0.000 1.246 203 W CB 0.375 29.831 29.460 -0.007 0.000 1.184 203 W HN 0.280 nan 8.180 nan 0.000 0.563 204 R N 4.972 125.657 120.500 0.308 0.000 2.204 204 R HA 0.419 4.774 4.340 0.024 0.000 0.341 204 R C -0.106 176.214 176.300 0.033 0.000 1.035 204 R CA -0.159 56.044 56.100 0.173 0.000 0.887 204 R CB 0.183 30.645 30.300 0.271 0.000 1.114 204 R HN 0.582 nan 8.270 nan 0.000 0.473 205 M N 0.217 119.722 119.600 -0.158 0.000 2.708 205 M HA 0.520 5.015 4.480 0.024 0.000 0.280 205 M C -0.146 175.811 176.300 -0.570 0.000 1.095 205 M CA -0.825 54.257 55.300 -0.363 0.000 0.822 205 M CB 2.094 34.462 32.600 -0.386 0.000 1.698 205 M HN 0.645 nan 8.290 nan 0.000 0.475 206 S N -1.413 113.817 115.700 -0.783 0.000 2.627 206 S HA 0.871 5.356 4.470 0.024 0.000 0.268 206 S C -0.594 173.503 174.600 -0.837 0.000 1.130 206 S CA -0.262 57.414 58.200 -0.874 0.000 0.819 206 S CB 1.410 63.945 63.200 -1.108 0.000 1.100 206 S HN 1.569 nan 8.310 nan 0.000 0.465 207 G N 0.085 108.643 108.800 -0.402 0.000 2.362 207 G HA2 0.129 4.103 3.960 0.024 0.000 0.517 207 G HA3 0.129 4.103 3.960 0.024 0.000 0.517 207 G C -1.274 173.624 174.900 -0.003 0.000 1.256 207 G CA -0.553 44.598 45.100 0.085 0.000 1.027 207 G HN 1.336 nan 8.290 nan 0.000 0.491 208 I N 2.081 122.512 120.570 -0.233 0.000 2.224 208 I HA 0.281 4.465 4.170 0.024 0.000 0.293 208 I C 1.175 177.159 176.117 -0.222 0.000 1.155 208 I CA -0.130 60.916 61.300 -0.423 0.000 1.297 208 I CB -0.397 37.084 38.000 -0.865 0.000 1.487 208 I HN 0.514 nan 8.210 nan 0.000 0.564 209 F N 3.870 123.666 119.950 -0.256 0.000 2.727 209 F HA 0.433 4.975 4.527 0.024 0.000 0.302 209 F C 0.722 176.440 175.800 -0.136 0.000 1.097 209 F CA -0.457 57.429 58.000 -0.191 0.000 1.330 209 F CB 0.109 39.000 39.000 -0.182 0.000 1.084 209 F HN 0.145 nan 8.300 nan 0.000 0.578 210 R N 0.471 120.581 120.500 -0.650 0.000 2.905 210 R HA 0.225 4.580 4.340 0.024 0.000 0.260 210 R C -0.692 175.394 176.300 -0.357 0.000 1.086 210 R CA -1.135 54.670 56.100 -0.493 0.000 0.978 210 R CB 0.833 30.744 30.300 -0.648 0.000 1.215 210 R HN -0.011 nan 8.270 nan 0.000 0.480 211 D N 0.839 121.066 120.400 -0.288 0.000 2.406 211 D HA 0.099 4.754 4.640 0.024 0.000 0.234 211 D C -0.376 175.763 176.300 -0.270 0.000 1.196 211 D CA 0.461 54.324 54.000 -0.228 0.000 0.881 211 D CB 0.630 41.327 40.800 -0.171 0.000 1.205 211 D HN 0.014 nan 8.370 nan 0.000 0.453 212 V N 0.461 120.227 119.914 -0.248 0.000 2.531 212 V HA 0.593 4.727 4.120 0.024 0.000 0.301 212 V C 0.054 176.020 176.094 -0.213 0.000 1.034 212 V CA -0.649 61.454 62.300 -0.329 0.000 0.865 212 V CB 1.504 33.117 31.823 -0.349 0.000 0.995 212 V HN 0.769 nan 8.190 nan 0.000 0.424 213 S N 4.474 120.027 115.700 -0.244 0.000 2.625 213 S HA 0.819 5.304 4.470 0.024 0.000 0.271 213 S C -1.458 173.096 174.600 -0.078 0.000 1.161 213 S CA -0.948 57.182 58.200 -0.116 0.000 0.820 213 S CB 1.857 65.023 63.200 -0.056 0.000 1.137 213 S HN 0.498 nan 8.310 nan 0.000 0.470 214 L N 1.381 122.632 121.223 0.047 0.000 2.341 214 L HA 0.702 5.057 4.340 0.024 0.000 0.278 214 L C -1.353 175.713 176.870 0.326 0.000 1.005 214 L CA -0.842 54.118 54.840 0.200 0.000 0.818 214 L CB 1.673 43.899 42.059 0.278 0.000 1.259 214 L HN 0.732 nan 8.230 nan 0.000 0.418 215 L N 3.113 124.486 121.223 0.250 0.000 2.386 215 L HA 0.484 4.838 4.340 0.024 0.000 0.271 215 L C -0.713 176.145 176.870 -0.020 0.000 0.993 215 L CA -0.209 54.702 54.840 0.118 0.000 0.819 215 L CB 1.694 43.789 42.059 0.061 0.000 1.294 215 L HN 0.483 nan 8.230 nan 0.000 0.414 216 H N 5.232 124.056 119.070 -0.410 0.000 2.519 216 H HA 0.476 5.046 4.556 0.024 0.000 0.316 216 H C -1.269 173.836 175.328 -0.371 0.000 1.065 216 H CA -0.562 55.109 56.048 -0.627 0.000 1.264 216 H CB 1.121 30.036 29.762 -1.412 0.000 1.413 216 H HN 0.494 nan 8.280 nan 0.000 0.465 217 K N 5.583 125.593 120.400 -0.649 0.000 2.318 217 K HA 0.394 4.729 4.320 0.024 0.000 0.249 217 K C -2.725 173.618 176.600 -0.428 0.000 0.942 217 K CA -2.106 53.953 56.287 -0.381 0.000 0.808 217 K CB 2.207 34.553 32.500 -0.256 0.000 1.189 217 K HN 0.478 nan 8.250 nan 0.000 0.428 218 P HA 0.195 nan 4.420 nan 0.000 0.276 218 P C 0.452 177.682 177.300 -0.116 0.000 1.244 218 P CA -0.221 62.821 63.100 -0.097 0.000 0.801 218 P CB 0.559 32.241 31.700 -0.030 0.000 1.006 219 T N -0.953 113.556 114.554 -0.074 0.000 2.777 219 T HA -0.041 4.323 4.350 0.024 0.000 0.266 219 T C 0.629 175.289 174.700 -0.066 0.000 1.040 219 T CA 1.587 63.648 62.100 -0.066 0.000 1.141 219 T CB -0.558 68.288 68.868 -0.037 0.000 0.868 219 T HN 0.420 nan 8.240 nan 0.000 0.444 220 T N 3.646 118.169 114.554 -0.051 0.000 2.743 220 T HA 0.470 4.835 4.350 0.024 0.000 0.293 220 T C -0.250 174.409 174.700 -0.067 0.000 0.945 220 T CA -0.549 61.513 62.100 -0.064 0.000 1.030 220 T CB 0.609 69.454 68.868 -0.038 0.000 0.912 220 T HN 0.470 nan 8.240 nan 0.000 0.483 221 Q N 2.137 121.883 119.800 -0.090 0.000 2.630 221 Q HA 0.547 4.902 4.340 0.024 0.000 0.295 221 Q C -1.310 174.636 176.000 -0.091 0.000 0.944 221 Q CA -1.163 54.581 55.803 -0.098 0.000 0.766 221 Q CB 1.169 29.827 28.738 -0.133 0.000 1.471 221 Q HN 0.466 nan 8.270 nan 0.000 0.416 222 I N 2.566 123.062 120.570 -0.123 0.000 2.406 222 I HA 0.030 4.215 4.170 0.024 0.000 0.293 222 I C 0.819 176.850 176.117 -0.143 0.000 1.101 222 I CA 0.071 61.307 61.300 -0.107 0.000 1.334 222 I CB 0.771 38.659 38.000 -0.187 0.000 1.421 222 I HN 0.844 nan 8.210 nan 0.000 0.513 223 S N 2.543 118.257 115.700 0.023 0.000 2.503 223 S HA 0.167 4.652 4.470 0.024 0.000 0.215 223 S C 0.257 175.054 174.600 0.329 0.000 1.003 223 S CA -0.174 58.104 58.200 0.131 0.000 0.910 223 S CB 0.241 63.474 63.200 0.055 0.000 0.790 223 S HN 0.678 nan 8.310 nan 0.000 0.514 224 D N -0.301 120.287 120.400 0.314 0.000 2.663 224 D HA 0.542 5.197 4.640 0.024 0.000 0.233 224 D C -1.839 174.623 176.300 0.270 0.000 1.240 224 D CA -0.737 53.452 54.000 0.315 0.000 0.774 224 D CB 1.740 42.618 40.800 0.130 0.000 1.443 224 D HN 0.223 nan 8.370 nan 0.000 0.441 225 F N -0.205 119.784 119.950 0.064 0.000 2.635 225 F HA 0.600 5.142 4.527 0.024 0.000 0.314 225 F C -1.642 174.189 175.800 0.051 0.000 1.119 225 F CA -0.772 57.202 58.000 -0.044 0.000 1.000 225 F CB 1.137 40.163 39.000 0.042 0.000 1.278 225 F HN 0.261 nan 8.300 nan 0.000 0.446 226 H N 2.492 121.609 119.070 0.077 0.000 2.529 226 H HA 0.723 5.294 4.556 0.025 0.000 0.348 226 H C -1.202 174.155 175.328 0.049 0.000 1.079 226 H CA -1.548 54.487 56.048 -0.022 0.000 1.198 226 H CB 2.450 32.189 29.762 -0.038 0.000 1.521 226 H HN 0.608 nan 8.280 nan 0.000 0.514 227 V N 2.431 122.422 119.914 0.129 0.000 2.384 227 V HA 0.596 4.730 4.120 0.024 0.000 0.287 227 V C -0.046 176.033 176.094 -0.024 0.000 1.020 227 V CA -0.610 61.724 62.300 0.058 0.000 0.850 227 V CB 1.019 32.871 31.823 0.048 0.000 0.987 227 V HN 0.932 nan 8.190 nan 0.000 0.436 228 A N 3.518 126.307 122.820 -0.052 0.000 2.342 228 A HA 0.884 5.218 4.320 0.024 0.000 0.323 228 A C 0.062 177.538 177.584 -0.180 0.000 1.125 228 A CA -0.520 51.464 52.037 -0.089 0.000 0.785 228 A CB 1.579 20.549 19.000 -0.050 0.000 1.221 228 A HN 0.905 nan 8.150 nan 0.000 0.463 229 T N 0.336 114.755 114.554 -0.225 0.000 2.833 229 T HA 0.673 5.037 4.350 0.024 0.000 0.297 229 T C -0.394 174.070 174.700 -0.394 0.000 1.015 229 T CA -0.602 61.257 62.100 -0.403 0.000 0.963 229 T CB 0.780 69.285 68.868 -0.605 0.000 0.955 229 T HN 0.664 nan 8.240 nan 0.000 0.449 230 R N 2.150 122.372 120.500 -0.464 0.000 2.732 230 R HA 0.801 5.156 4.340 0.024 0.000 0.278 230 R C -1.124 174.884 176.300 -0.487 0.000 0.976 230 R CA -0.705 55.226 56.100 -0.281 0.000 0.963 230 R CB 1.252 31.486 30.300 -0.110 0.000 1.150 230 R HN 0.579 nan 8.270 nan 0.000 0.478 231 F N 0.061 119.991 119.950 -0.034 0.000 2.664 231 F HA 0.356 4.896 4.527 0.022 0.000 0.329 231 F C 0.378 176.051 175.800 -0.211 0.000 1.090 231 F CA -1.096 56.837 58.000 -0.112 0.000 0.978 231 F CB 0.787 39.648 39.000 -0.233 0.000 1.378 231 F HN 0.518 nan 8.300 nan 0.000 0.495 232 N N -0.149 118.540 118.700 -0.019 0.000 2.448 232 N HA 0.105 4.859 4.740 0.024 0.000 0.274 232 N C 0.408 175.768 175.510 -0.249 0.000 1.239 232 N CA -0.204 52.791 53.050 -0.092 0.000 0.982 232 N CB 0.077 38.538 38.487 -0.044 0.000 1.199 232 N HN 0.668 nan 8.380 nan 0.000 0.576 233 D N -1.073 119.233 120.400 -0.157 0.000 2.158 233 D HA -0.250 4.405 4.640 0.024 0.000 0.197 233 D C 0.237 176.445 176.300 -0.154 0.000 0.995 233 D CA 1.610 55.517 54.000 -0.154 0.000 0.846 233 D CB -0.502 40.266 40.800 -0.053 0.000 0.941 233 D HN 0.730 nan 8.370 nan 0.000 0.456 234 D N -1.612 118.743 120.400 -0.075 0.000 2.501 234 D HA 0.027 4.682 4.640 0.024 0.000 0.226 234 D C 0.132 176.560 176.300 0.212 0.000 1.198 234 D CA -0.926 53.123 54.000 0.082 0.000 0.830 234 D CB -1.073 39.794 40.800 0.112 0.000 1.014 234 D HN 0.206 nan 8.370 nan 0.000 0.496 235 F N 0.191 120.197 119.950 0.092 0.000 2.973 235 F HA -0.313 4.228 4.527 0.023 0.000 0.299 235 F C 1.814 177.701 175.800 0.145 0.000 0.737 235 F CA 0.853 58.925 58.000 0.120 0.000 1.151 235 F CB -2.486 36.485 39.000 -0.048 0.000 1.440 235 F HN 0.218 nan 8.300 nan 0.000 0.367 236 S N -1.000 114.811 115.700 0.186 0.000 2.496 236 S HA 0.147 4.631 4.470 0.024 0.000 0.224 236 S C 0.776 175.435 174.600 0.098 0.000 0.996 236 S CA 0.157 58.434 58.200 0.129 0.000 0.927 236 S CB 0.358 63.608 63.200 0.083 0.000 0.774 236 S HN 0.317 nan 8.310 nan 0.000 0.524 237 R N 0.731 121.293 120.500 0.104 0.000 2.673 237 R HA 0.843 5.197 4.340 0.024 0.000 0.281 237 R C -1.128 175.211 176.300 0.066 0.000 0.991 237 R CA -0.264 55.869 56.100 0.054 0.000 0.896 237 R CB 1.818 32.124 30.300 0.010 0.000 1.201 237 R HN 0.254 nan 8.270 nan 0.000 0.457 238 A N 1.246 124.049 122.820 -0.028 0.000 2.556 238 A HA 0.731 5.066 4.320 0.024 0.000 0.294 238 A C -1.259 176.248 177.584 -0.129 0.000 1.091 238 A CA -0.676 51.263 52.037 -0.163 0.000 0.704 238 A CB 2.141 20.983 19.000 -0.263 0.000 1.300 238 A HN 0.308 nan 8.150 nan 0.000 0.406 239 V N 1.494 121.304 119.914 -0.172 0.000 2.444 239 V HA 0.440 4.574 4.120 0.024 0.000 0.294 239 V C -0.481 175.545 176.094 -0.113 0.000 1.022 239 V CA -0.357 61.878 62.300 -0.108 0.000 0.850 239 V CB 1.428 33.190 31.823 -0.102 0.000 0.992 239 V HN 0.801 nan 8.190 nan 0.000 0.426 240 L N 4.634 125.830 121.223 -0.046 0.000 2.260 240 L HA 0.575 4.930 4.340 0.024 0.000 0.289 240 L C 0.112 176.940 176.870 -0.069 0.000 1.057 240 L CA 0.024 54.817 54.840 -0.079 0.000 0.811 240 L CB 0.918 42.964 42.059 -0.022 0.000 1.184 240 L HN 0.803 nan 8.230 nan 0.000 0.429 241 E N 4.740 124.893 120.200 -0.078 0.000 2.145 241 E HA 0.619 4.983 4.350 0.024 0.000 0.270 241 E C -1.374 175.218 176.600 -0.013 0.000 0.906 241 E CA -0.767 55.608 56.400 -0.043 0.000 0.761 241 E CB 1.627 31.302 29.700 -0.042 0.000 1.116 241 E HN 0.718 nan 8.360 nan 0.000 0.408 242 A N 4.740 127.561 122.820 0.001 0.000 2.311 242 A HA 0.289 4.624 4.320 0.024 0.000 0.306 242 A C -0.622 176.976 177.584 0.023 0.000 1.189 242 A CA -0.681 51.382 52.037 0.042 0.000 0.791 242 A CB 1.048 20.081 19.000 0.055 0.000 1.172 242 A HN 0.759 nan 8.150 nan 0.000 0.481 243 E N 2.645 122.862 120.200 0.029 0.000 2.200 243 E HA 0.520 4.885 4.350 0.024 0.000 0.283 243 E C -1.254 175.319 176.600 -0.046 0.000 1.015 243 E CA -0.358 56.020 56.400 -0.036 0.000 0.819 243 E CB 1.066 30.720 29.700 -0.078 0.000 1.081 243 E HN 0.381 nan 8.360 nan 0.000 0.397 244 V N 4.987 124.889 119.914 -0.020 0.000 2.495 244 V HA 0.295 4.429 4.120 0.024 0.000 0.298 244 V C -0.410 175.749 176.094 0.108 0.000 1.031 244 V CA -0.760 61.568 62.300 0.046 0.000 0.871 244 V CB 1.605 33.438 31.823 0.017 0.000 0.988 244 V HN 0.732 nan 8.190 nan 0.000 0.432 245 Q N 4.450 124.317 119.800 0.111 0.000 2.365 245 Q HA 0.812 5.167 4.340 0.024 0.000 0.269 245 Q C -0.834 175.224 176.000 0.096 0.000 1.061 245 Q CA -0.892 54.974 55.803 0.105 0.000 0.816 245 Q CB 2.788 31.524 28.738 -0.003 0.000 1.325 245 Q HN 0.811 nan 8.270 nan 0.000 0.446 246 M N -0.648 118.942 119.600 -0.016 0.000 2.761 246 M HA 0.799 5.294 4.480 0.024 0.000 0.305 246 M C -1.400 174.807 176.300 -0.155 0.000 1.235 246 M CA -0.500 54.716 55.300 -0.140 0.000 0.850 246 M CB 1.732 34.083 32.600 -0.415 0.000 1.744 246 M HN 0.567 nan 8.290 nan 0.000 0.480 247 C N 0.775 119.990 119.300 -0.141 0.000 2.797 247 C HA 1.032 5.506 4.460 0.024 0.000 0.306 247 C C 0.436 175.348 174.990 -0.130 0.000 1.207 247 C CA 0.466 59.416 59.018 -0.113 0.000 1.507 247 C CB 0.930 28.631 27.740 -0.065 0.000 2.028 247 C HN 1.425 nan 8.230 nan 0.000 0.475 248 G N 1.817 110.547 108.800 -0.116 0.000 2.331 248 G HA2 0.076 4.050 3.960 0.024 0.000 0.479 248 G HA3 0.076 4.050 3.960 0.024 0.000 0.479 248 G C -1.334 173.495 174.900 -0.119 0.000 1.262 248 G CA -0.670 44.368 45.100 -0.103 0.000 1.029 248 G HN 0.859 nan 8.290 nan 0.000 0.487 249 E N 0.029 120.169 120.200 -0.100 0.000 2.194 249 E HA 0.456 4.821 4.350 0.024 0.000 0.284 249 E C 0.306 176.810 176.600 -0.160 0.000 1.035 249 E CA -0.477 55.860 56.400 -0.105 0.000 0.836 249 E CB 0.536 30.200 29.700 -0.061 0.000 1.070 249 E HN 0.421 nan 8.360 nan 0.000 0.401 250 L N 5.138 126.252 121.223 -0.183 0.000 2.416 250 L HA 0.263 4.617 4.340 0.024 0.000 0.272 250 L C 0.271 177.010 176.870 -0.218 0.000 1.161 250 L CA 0.092 54.795 54.840 -0.228 0.000 0.845 250 L CB 0.314 42.252 42.059 -0.201 0.000 1.119 250 L HN 0.417 nan 8.230 nan 0.000 0.464 251 R N 2.209 122.521 120.500 -0.314 0.000 2.626 251 R HA 0.173 4.528 4.340 0.024 0.000 0.274 251 R C -0.117 175.907 176.300 -0.460 0.000 1.031 251 R CA -0.740 55.075 56.100 -0.476 0.000 0.898 251 R CB 1.496 31.213 30.300 -0.972 0.000 1.222 251 R HN 0.591 nan 8.270 nan 0.000 0.455 252 D N 1.323 121.542 120.400 -0.301 0.000 2.221 252 D HA -0.180 4.475 4.640 0.024 0.000 0.204 252 D C 1.338 177.581 176.300 -0.095 0.000 0.982 252 D CA 1.807 55.727 54.000 -0.133 0.000 0.857 252 D CB 0.192 40.972 40.800 -0.034 0.000 0.934 252 D HN 0.591 nan 8.370 nan 0.000 0.475 253 Y N 0.329 120.641 120.300 0.020 0.000 2.546 253 Y HA 0.256 4.821 4.550 0.025 0.000 0.287 253 Y C 1.070 176.970 175.900 0.000 0.000 1.158 253 Y CA -0.442 57.666 58.100 0.012 0.000 1.307 253 Y CB -0.676 37.793 38.460 0.014 0.000 1.036 253 Y HN -0.184 nan 8.280 nan 0.000 0.532 254 L N 2.933 124.052 121.223 -0.175 0.000 2.461 254 L HA 0.226 4.580 4.340 0.024 0.000 0.272 254 L C 0.196 177.034 176.870 -0.053 0.000 1.197 254 L CA 0.231 55.054 54.840 -0.029 0.000 0.836 254 L CB 0.451 42.520 42.059 0.017 0.000 1.105 254 L HN 0.281 nan 8.230 nan 0.000 0.477 255 R N 1.998 122.353 120.500 -0.241 0.000 2.752 255 R HA 0.657 5.011 4.340 0.024 0.000 0.271 255 R C -1.611 174.330 176.300 -0.599 0.000 1.026 255 R CA -0.775 55.049 56.100 -0.461 0.000 0.901 255 R CB 2.079 32.006 30.300 -0.623 0.000 1.243 255 R HN 0.264 nan 8.270 nan 0.000 0.463 256 V N 0.846 120.487 119.914 -0.455 0.000 2.588 256 V HA 0.486 4.620 4.120 0.024 0.000 0.304 256 V C -0.474 175.610 176.094 -0.016 0.000 1.042 256 V CA -0.579 61.567 62.300 -0.256 0.000 0.877 256 V CB 2.244 33.849 31.823 -0.364 0.000 0.996 256 V HN 0.732 nan 8.190 nan 0.000 0.425 257 T N 4.083 118.723 114.554 0.142 0.000 2.812 257 T HA 0.629 4.994 4.350 0.024 0.000 0.282 257 T C -0.597 174.114 174.700 0.020 0.000 0.990 257 T CA -0.382 61.783 62.100 0.108 0.000 0.960 257 T CB 1.681 70.621 68.868 0.121 0.000 0.948 257 T HN 0.345 nan 8.240 nan 0.000 0.438 258 V N 3.771 123.676 119.914 -0.014 0.000 2.495 258 V HA 0.760 4.895 4.120 0.024 0.000 0.298 258 V C -0.093 175.991 176.094 -0.017 0.000 1.031 258 V CA -0.710 61.577 62.300 -0.022 0.000 0.871 258 V CB 1.780 33.581 31.823 -0.036 0.000 0.988 258 V HN 1.072 nan 8.190 nan 0.000 0.432 259 S N 4.772 120.484 115.700 0.021 0.000 2.569 259 S HA 0.886 5.371 4.470 0.024 0.000 0.280 259 S C -1.172 173.433 174.600 0.008 0.000 1.111 259 S CA -0.816 57.358 58.200 -0.042 0.000 0.887 259 S CB 2.254 65.406 63.200 -0.080 0.000 1.095 259 S HN 0.594 nan 8.310 nan 0.000 0.476 260 L N 1.407 122.535 121.223 -0.159 0.000 2.362 260 L HA 0.832 5.186 4.340 0.024 0.000 0.275 260 L C -2.141 174.652 176.870 -0.128 0.000 0.998 260 L CA -0.184 54.670 54.840 0.024 0.000 0.820 260 L CB 1.214 43.328 42.059 0.093 0.000 1.270 260 L HN 0.899 nan 8.230 nan 0.000 0.415 261 W N 3.517 124.931 121.300 0.190 0.000 2.785 261 W HA 0.548 5.222 4.660 0.024 0.000 0.333 261 W C -0.694 175.921 176.519 0.160 0.000 1.062 261 W CA -0.550 56.883 57.345 0.147 0.000 1.233 261 W CB 1.478 30.973 29.460 0.058 0.000 1.413 261 W HN 0.288 nan 8.180 nan 0.000 0.489 262 Q N 2.517 122.479 119.800 0.270 0.000 2.563 262 Q HA 0.494 4.848 4.340 0.024 0.000 0.232 262 Q C 0.625 176.645 176.000 0.033 0.000 1.106 262 Q CA 0.318 56.076 55.803 -0.074 0.000 0.913 262 Q CB 0.399 29.080 28.738 -0.094 0.000 1.175 262 Q HN 0.773 nan 8.270 nan 0.000 0.540 263 G N 3.698 112.519 108.800 0.036 0.000 2.557 263 G HA2 -0.306 3.668 3.960 0.024 0.000 0.292 263 G HA3 -0.306 3.668 3.960 0.024 0.000 0.292 263 G C 0.462 175.429 174.900 0.111 0.000 1.162 263 G CA 0.285 45.408 45.100 0.039 0.000 0.964 263 G HN 0.533 nan 8.290 nan 0.000 0.541 264 E N 1.219 121.487 120.200 0.114 0.000 2.474 264 E HA 0.165 4.529 4.350 0.024 0.000 0.195 264 E C 0.522 177.321 176.600 0.332 0.000 1.039 264 E CA 0.583 57.073 56.400 0.150 0.000 0.881 264 E CB 0.432 30.166 29.700 0.057 0.000 0.970 264 E HN 0.395 nan 8.360 nan 0.000 0.486 265 T N 1.826 116.549 114.554 0.281 0.000 2.771 265 T HA 0.114 4.478 4.350 0.024 0.000 0.291 265 T C 0.087 174.884 174.700 0.162 0.000 0.954 265 T CA -0.246 61.972 62.100 0.196 0.000 1.045 265 T CB 1.549 70.466 68.868 0.083 0.000 0.917 265 T HN 0.013 nan 8.240 nan 0.000 0.484 266 Q N 3.402 123.094 119.800 -0.180 0.000 2.293 266 Q HA 0.206 4.561 4.340 0.024 0.000 0.263 266 Q C 0.310 176.070 176.000 -0.399 0.000 1.002 266 Q CA -0.336 54.960 55.803 -0.844 0.000 0.910 266 Q CB 0.614 28.698 28.738 -1.090 0.000 1.185 266 Q HN 0.544 nan 8.270 nan 0.000 0.401 267 V N 3.157 122.874 119.914 -0.330 0.000 2.685 267 V HA 0.267 4.402 4.120 0.024 0.000 0.244 267 V C 0.438 176.435 176.094 -0.162 0.000 1.054 267 V CA 1.216 63.435 62.300 -0.135 0.000 1.076 267 V CB 0.129 31.979 31.823 0.043 0.000 0.725 267 V HN 0.826 nan 8.190 nan 0.000 0.467 268 A N -1.152 121.535 122.820 -0.221 0.000 2.601 268 A HA 0.770 5.104 4.320 0.024 0.000 0.291 268 A C -0.802 176.661 177.584 -0.201 0.000 1.075 268 A CA 0.130 52.064 52.037 -0.171 0.000 0.671 268 A CB 1.823 20.757 19.000 -0.109 0.000 1.277 268 A HN 0.127 nan 8.150 nan 0.000 0.417 269 S N -0.843 114.769 115.700 -0.147 0.000 2.537 269 S HA 0.797 5.282 4.470 0.024 0.000 0.271 269 S C -0.593 173.959 174.600 -0.081 0.000 1.148 269 S CA 0.278 58.402 58.200 -0.125 0.000 0.868 269 S CB 1.570 64.682 63.200 -0.147 0.000 1.115 269 S HN 2.419 nan 8.310 nan 0.000 0.461 270 G N 1.641 110.406 108.800 -0.059 0.000 2.733 270 G HA2 0.652 4.626 3.960 0.024 0.000 0.297 270 G HA3 0.652 4.626 3.960 0.024 0.000 0.297 270 G C -1.380 173.501 174.900 -0.032 0.000 1.422 270 G CA -0.440 44.632 45.100 -0.047 0.000 0.942 270 G HN 0.746 nan 8.290 nan 0.000 0.510 271 T N -0.276 114.263 114.554 -0.025 0.000 2.900 271 T HA 0.881 5.246 4.350 0.024 0.000 0.295 271 T C -0.348 174.323 174.700 -0.047 0.000 1.044 271 T CA -0.019 62.076 62.100 -0.007 0.000 0.995 271 T CB 1.874 70.773 68.868 0.051 0.000 1.072 271 T HN 1.689 nan 8.240 nan 0.000 0.473 272 A N 3.044 125.807 122.820 -0.096 0.000 2.599 272 A HA 0.853 5.187 4.320 0.024 0.000 0.294 272 A C -3.133 174.325 177.584 -0.210 0.000 1.055 272 A CA -1.422 50.539 52.037 -0.127 0.000 0.683 272 A CB 1.189 20.105 19.000 -0.139 0.000 1.278 272 A HN 0.532 nan 8.150 nan 0.000 0.412 273 P HA 0.561 nan 4.420 nan 0.000 0.279 273 P C -0.455 176.694 177.300 -0.252 0.000 1.276 273 P CA -0.368 62.625 63.100 -0.179 0.000 0.801 273 P CB 0.385 32.053 31.700 -0.054 0.000 1.127 274 F N -0.359 119.547 119.950 -0.073 0.000 2.490 274 F HA 0.445 4.986 4.527 0.024 0.000 0.336 274 F C 1.455 177.234 175.800 -0.034 0.000 1.178 274 F CA 1.659 59.626 58.000 -0.055 0.000 1.301 274 F CB 0.134 39.094 39.000 -0.065 0.000 1.175 274 F HN 0.573 nan 8.300 nan 0.000 0.593 275 G N 1.432 110.373 108.800 0.236 0.000 3.084 275 G HA2 0.359 4.334 3.960 0.024 0.000 0.543 275 G HA3 0.359 4.334 3.960 0.024 0.000 0.543 275 G C -0.564 174.396 174.900 0.099 0.000 1.239 275 G CA -0.748 44.435 45.100 0.139 0.000 1.190 275 G HN 1.032 nan 8.290 nan 0.000 0.549 276 G N 0.646 109.525 108.800 0.131 0.000 2.557 276 G HA2 0.718 4.693 3.960 0.024 0.000 0.292 276 G HA3 0.718 4.693 3.960 0.024 0.000 0.292 276 G C 0.265 175.213 174.900 0.080 0.000 1.237 276 G CA -0.261 44.904 45.100 0.109 0.000 0.978 276 G HN 0.914 nan 8.290 nan 0.000 0.498 277 E N -0.552 119.688 120.200 0.067 0.000 2.392 277 E HA 0.244 4.609 4.350 0.024 0.000 0.256 277 E C 0.373 177.005 176.600 0.053 0.000 1.145 277 E CA -0.542 55.886 56.400 0.047 0.000 0.929 277 E CB 0.876 30.595 29.700 0.032 0.000 0.998 277 E HN 0.239 nan 8.360 nan 0.000 0.442 278 I N 2.068 122.656 120.570 0.030 0.000 2.668 278 I HA -0.117 4.068 4.170 0.024 0.000 0.285 278 I C 0.532 176.667 176.117 0.030 0.000 1.168 278 I CA 0.169 61.481 61.300 0.019 0.000 1.424 278 I CB 0.073 38.078 38.000 0.008 0.000 1.377 278 I HN 0.559 nan 8.210 nan 0.000 0.560 279 I N 4.577 125.163 120.570 0.027 0.000 2.810 279 I HA 0.015 4.200 4.170 0.024 0.000 0.262 279 I C 0.740 176.867 176.117 0.017 0.000 1.131 279 I CA 1.137 62.464 61.300 0.044 0.000 1.453 279 I CB -0.648 37.398 38.000 0.076 0.000 1.161 279 I HN 0.722 nan 8.210 nan 0.000 0.444 280 D N -2.070 118.325 120.400 -0.007 0.000 2.946 280 D HA 0.106 4.760 4.640 0.024 0.000 0.337 280 D C 0.410 176.698 176.300 -0.020 0.000 1.332 280 D CA -0.407 53.587 54.000 -0.010 0.000 0.935 280 D CB 0.372 41.165 40.800 -0.012 0.000 1.440 280 D HN -0.254 nan 8.370 nan 0.000 0.540 281 E N -1.036 119.154 120.200 -0.018 0.000 2.331 281 E HA -0.054 4.310 4.350 0.024 0.000 0.199 281 E C 1.169 177.752 176.600 -0.028 0.000 1.008 281 E CA 0.959 57.347 56.400 -0.019 0.000 0.843 281 E CB -0.049 29.642 29.700 -0.015 0.000 0.761 281 E HN 0.201 nan 8.360 nan 0.000 0.507 282 R N -0.457 120.018 120.500 -0.042 0.000 2.393 282 R HA 0.331 4.685 4.340 0.024 0.000 0.244 282 R C 0.734 176.994 176.300 -0.066 0.000 0.920 282 R CA 0.640 56.708 56.100 -0.053 0.000 1.076 282 R CB 0.763 31.023 30.300 -0.066 0.000 1.119 282 R HN 0.206 nan 8.270 nan 0.000 0.524 283 G N -0.626 108.139 108.800 -0.059 0.000 2.358 283 G HA2 -0.081 3.893 3.960 0.024 0.000 0.198 283 G HA3 -0.081 3.893 3.960 0.024 0.000 0.198 283 G C -0.255 174.602 174.900 -0.073 0.000 1.220 283 G CA -0.601 44.464 45.100 -0.059 0.000 1.187 283 G HN 0.450 nan 8.290 nan 0.000 0.544 284 G N -2.021 106.729 108.800 -0.083 0.000 3.086 284 G HA2 0.641 4.616 3.960 0.024 0.000 0.282 284 G HA3 0.641 4.616 3.960 0.024 0.000 0.282 284 G C -1.649 173.150 174.900 -0.168 0.000 1.343 284 G CA -0.683 44.376 45.100 -0.069 0.000 0.895 284 G HN 0.792 nan 8.290 nan 0.000 0.557 285 Y N 1.098 121.410 120.300 0.020 0.000 2.477 285 Y HA 0.449 5.013 4.550 0.023 0.000 0.349 285 Y C 1.407 177.329 175.900 0.038 0.000 0.977 285 Y CA 0.121 58.236 58.100 0.024 0.000 1.214 285 Y CB 1.687 40.167 38.460 0.034 0.000 1.124 285 Y HN 0.546 nan 8.280 nan 0.000 0.521 286 A N 1.788 124.673 122.820 0.109 0.000 2.014 286 A HA -0.130 4.204 4.320 0.024 0.000 0.218 286 A C 1.404 179.042 177.584 0.091 0.000 1.163 286 A CA 1.350 53.435 52.037 0.080 0.000 0.652 286 A CB -0.228 18.778 19.000 0.010 0.000 0.808 286 A HN 0.778 nan 8.150 nan 0.000 0.449 287 D N -0.715 119.728 120.400 0.072 0.000 2.395 287 D HA 0.147 4.801 4.640 0.024 0.000 0.226 287 D C 0.465 176.818 176.300 0.089 0.000 1.146 287 D CA -0.035 53.914 54.000 -0.084 0.000 0.830 287 D CB -0.073 40.675 40.800 -0.088 0.000 0.958 287 D HN 0.380 nan 8.370 nan 0.000 0.501 288 R N -1.048 119.658 120.500 0.342 0.000 2.817 288 R HA 0.755 5.110 4.340 0.024 0.000 0.268 288 R C -1.667 174.818 176.300 0.309 0.000 1.027 288 R CA -1.164 55.142 56.100 0.344 0.000 0.928 288 R CB 2.902 33.269 30.300 0.111 0.000 1.228 288 R HN -0.022 nan 8.270 nan 0.000 0.469 289 V N 0.302 120.272 119.914 0.094 0.000 3.023 289 V HA 0.425 4.560 4.120 0.024 0.000 0.294 289 V C -1.543 174.506 176.094 -0.075 0.000 1.324 289 V CA -0.325 61.936 62.300 -0.065 0.000 0.979 289 V CB 2.732 34.374 31.823 -0.302 0.000 1.093 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 7.171 121.690 114.554 -0.060 0.000 2.797 290 T HA 0.650 5.015 4.350 0.024 0.000 0.279 290 T C -0.976 173.688 174.700 -0.060 0.000 0.991 290 T CA -0.440 61.631 62.100 -0.048 0.000 0.979 290 T CB 1.194 70.047 68.868 -0.025 0.000 0.943 290 T HN 0.414 nan 8.240 nan 0.000 0.444 291 L N 3.225 124.415 121.223 -0.056 0.000 2.334 291 L HA 0.600 4.955 4.340 0.024 0.000 0.276 291 L C 0.233 177.077 176.870 -0.042 0.000 1.014 291 L CA -0.540 54.266 54.840 -0.056 0.000 0.815 291 L CB 1.738 43.760 42.059 -0.062 0.000 1.268 291 L HN 0.584 nan 8.230 nan 0.000 0.428 292 R N 3.654 124.129 120.500 -0.042 0.000 2.476 292 R HA 0.657 5.012 4.340 0.024 0.000 0.305 292 R C -1.194 175.080 176.300 -0.043 0.000 0.965 292 R CA -0.570 55.505 56.100 -0.041 0.000 0.867 292 R CB 1.987 32.264 30.300 -0.040 0.000 1.176 292 R HN 0.456 nan 8.270 nan 0.000 0.447 293 L N 3.291 124.490 121.223 -0.041 0.000 2.305 293 L HA 0.437 4.792 4.340 0.024 0.000 0.284 293 L C -0.215 176.630 176.870 -0.043 0.000 1.013 293 L CA -0.979 53.836 54.840 -0.042 0.000 0.819 293 L CB 1.447 43.484 42.059 -0.036 0.000 1.227 293 L HN 0.500 nan 8.230 nan 0.000 0.417 294 N N 2.583 121.251 118.700 -0.052 0.000 2.529 294 N HA 0.402 5.157 4.740 0.024 0.000 0.278 294 N C -0.760 174.705 175.510 -0.075 0.000 1.146 294 N CA -0.180 52.835 53.050 -0.058 0.000 0.980 294 N CB 2.662 41.118 38.487 -0.052 0.000 1.124 294 N HN 0.210 nan 8.380 nan 0.000 0.458 295 V N 2.024 121.880 119.914 -0.097 0.000 2.567 295 V HA 0.139 4.273 4.120 0.024 0.000 0.298 295 V C -0.365 175.656 176.094 -0.122 0.000 1.047 295 V CA -0.902 61.306 62.300 -0.154 0.000 0.880 295 V CB 1.962 33.591 31.823 -0.323 0.000 1.009 295 V HN 0.507 nan 8.190 nan 0.000 0.429 296 E N 3.051 123.202 120.200 -0.081 0.000 2.259 296 E HA 0.285 4.650 4.350 0.024 0.000 0.281 296 E C 0.130 176.712 176.600 -0.030 0.000 1.027 296 E CA -0.403 55.974 56.400 -0.039 0.000 0.838 296 E CB 0.533 30.219 29.700 -0.023 0.000 1.066 296 E HN 0.771 nan 8.360 nan 0.000 0.401 297 N N 1.005 119.709 118.700 0.007 0.000 2.705 297 N HA -0.146 4.608 4.740 0.024 0.000 0.255 297 N C -2.458 173.057 175.510 0.009 0.000 1.008 297 N CA 0.101 53.169 53.050 0.029 0.000 0.742 297 N CB -1.160 37.345 38.487 0.029 0.000 0.906 297 N HN 0.401 nan 8.380 nan 0.000 0.541 298 P HA -0.009 nan 4.420 nan 0.000 0.269 298 P C -0.423 176.903 177.300 0.043 0.000 1.215 298 P CA 0.367 63.353 63.100 -0.190 0.000 0.780 298 P CB 0.716 32.070 31.700 -0.576 0.000 0.898 299 K N 2.412 122.948 120.400 0.225 0.000 2.316 299 K HA 0.288 4.623 4.320 0.024 0.000 0.289 299 K C 0.167 176.938 176.600 0.285 0.000 1.070 299 K CA -0.452 55.961 56.287 0.209 0.000 0.928 299 K CB 0.206 32.793 32.500 0.145 0.000 1.039 299 K HN 0.418 nan 8.250 nan 0.000 0.480 300 L N 2.699 124.012 121.223 0.150 0.000 2.397 300 L HA 0.208 4.563 4.340 0.024 0.000 0.271 300 L C 0.080 177.021 176.870 0.117 0.000 1.148 300 L CA -0.637 54.282 54.840 0.130 0.000 0.825 300 L CB 0.231 42.210 42.059 -0.133 0.000 1.117 300 L HN 0.596 nan 8.230 nan 0.000 0.456 301 W N 4.000 125.328 121.300 0.046 0.000 2.315 301 W HA 0.474 5.148 4.660 0.023 0.000 0.316 301 W C 0.085 176.551 176.519 -0.089 0.000 1.211 301 W CA 0.142 57.500 57.345 0.022 0.000 1.201 301 W CB 1.224 30.753 29.460 0.115 0.000 1.184 301 W HN 0.646 nan 8.180 nan 0.000 0.544 302 S N 3.020 118.127 115.700 -0.988 0.000 2.643 302 S HA 0.640 5.124 4.470 0.024 0.000 0.270 302 S C 0.128 173.905 174.600 -1.373 0.000 1.166 302 S CA -0.380 57.313 58.200 -0.846 0.000 0.815 302 S CB 1.081 64.064 63.200 -0.361 0.000 1.139 302 S HN 0.984 nan 8.310 nan 0.000 0.472 303 A N 0.609 122.803 122.820 -1.044 0.000 1.969 303 A HA 0.036 4.370 4.320 0.024 0.000 0.218 303 A C 1.791 179.036 177.584 -0.565 0.000 1.169 303 A CA 1.533 52.962 52.037 -1.014 0.000 0.635 303 A CB -1.046 17.217 19.000 -1.228 0.000 0.810 303 A HN 0.880 nan 8.150 nan 0.000 0.445 304 E N -0.582 119.423 120.200 -0.324 0.000 2.047 304 E HA -0.025 4.339 4.350 0.024 0.000 0.191 304 E C -0.139 176.304 176.600 -0.261 0.000 0.987 304 E CA 0.836 57.102 56.400 -0.224 0.000 0.799 304 E CB -0.094 29.599 29.700 -0.011 0.000 0.752 304 E HN 0.620 nan 8.360 nan 0.000 0.449 305 I N 1.388 121.776 120.570 -0.303 0.000 2.560 305 I HA 0.161 4.345 4.170 0.024 0.000 0.278 305 I C -2.531 173.342 176.117 -0.406 0.000 1.089 305 I CA -1.938 59.207 61.300 -0.259 0.000 1.086 305 I CB 2.238 40.143 38.000 -0.157 0.000 1.202 305 I HN -0.218 nan 8.210 nan 0.000 0.471 306 P HA 0.097 nan 4.420 nan 0.000 0.220 306 P C -0.484 176.780 177.300 -0.060 0.000 1.778 306 P CA -0.297 62.486 63.100 -0.527 0.000 0.912 306 P CB -0.317 31.221 31.700 -0.271 0.000 1.861 307 N N 1.346 120.037 118.700 -0.014 0.000 2.411 307 N HA 0.064 4.819 4.740 0.024 0.000 0.261 307 N C 0.055 175.796 175.510 0.386 0.000 1.248 307 N CA 0.665 53.803 53.050 0.146 0.000 0.885 307 N CB 0.523 39.091 38.487 0.134 0.000 1.062 307 N HN 0.267 nan 8.380 nan 0.000 0.471 308 L N 2.472 123.846 121.223 0.251 0.000 2.354 308 L HA 0.491 4.845 4.340 0.024 0.000 0.264 308 L C -0.791 176.188 176.870 0.183 0.000 1.008 308 L CA -0.890 54.144 54.840 0.323 0.000 0.819 308 L CB 1.280 43.491 42.059 0.254 0.000 1.339 308 L HN 0.368 nan 8.230 nan 0.000 0.420 309 Y N 0.200 120.659 120.300 0.266 0.000 2.587 309 Y HA 0.641 5.206 4.550 0.025 0.000 0.337 309 Y C -0.201 175.832 175.900 0.221 0.000 1.065 309 Y CA -0.858 57.402 58.100 0.267 0.000 1.126 309 Y CB 1.809 40.498 38.460 0.381 0.000 1.279 309 Y HN 0.386 nan 8.280 nan 0.000 0.489 310 R N 1.154 121.896 120.500 0.403 0.000 2.445 310 R HA 0.822 5.177 4.340 0.024 0.000 0.308 310 R C -1.591 174.924 176.300 0.359 0.000 0.961 310 R CA -0.489 55.780 56.100 0.281 0.000 0.862 310 R CB 1.059 31.427 30.300 0.113 0.000 1.144 310 R HN 0.755 nan 8.270 nan 0.000 0.447 311 A N 4.004 126.972 122.820 0.246 0.000 2.303 311 A HA 0.603 4.937 4.320 0.024 0.000 0.320 311 A C -1.118 176.541 177.584 0.126 0.000 1.192 311 A CA -0.665 51.500 52.037 0.213 0.000 0.821 311 A CB 1.278 20.375 19.000 0.161 0.000 1.188 311 A HN 0.489 nan 8.150 nan 0.000 0.492 312 V N 3.359 123.359 119.914 0.142 0.000 2.448 312 V HA 0.406 4.540 4.120 0.024 0.000 0.295 312 V C -0.318 175.760 176.094 -0.028 0.000 1.025 312 V CA -0.553 61.769 62.300 0.036 0.000 0.859 312 V CB 1.547 33.419 31.823 0.081 0.000 0.988 312 V HN 0.610 nan 8.190 nan 0.000 0.431 313 V N 4.577 124.400 119.914 -0.151 0.000 2.347 313 V HA 0.435 4.569 4.120 0.024 0.000 0.280 313 V C -0.054 175.978 176.094 -0.104 0.000 1.021 313 V CA -0.510 61.671 62.300 -0.200 0.000 0.847 313 V CB 1.307 32.836 31.823 -0.491 0.000 0.990 313 V HN 0.922 nan 8.190 nan 0.000 0.444 314 E N 3.638 123.831 120.200 -0.013 0.000 2.158 314 E HA 0.474 4.838 4.350 0.024 0.000 0.271 314 E C -1.089 175.600 176.600 0.150 0.000 0.911 314 E CA -0.853 55.592 56.400 0.075 0.000 0.767 314 E CB 2.414 32.189 29.700 0.125 0.000 1.120 314 E HN 0.513 nan 8.360 nan 0.000 0.405 315 L N 5.075 126.359 121.223 0.101 0.000 2.257 315 L HA 0.357 4.711 4.340 0.024 0.000 0.290 315 L C -0.861 176.097 176.870 0.146 0.000 1.044 315 L CA 0.235 55.121 54.840 0.077 0.000 0.810 315 L CB -0.108 41.986 42.059 0.057 0.000 1.193 315 L HN 0.647 nan 8.230 nan 0.000 0.425 316 H N 0.380 119.485 119.070 0.058 0.000 2.947 316 H HA 0.823 5.393 4.556 0.024 0.000 0.290 316 H C -0.675 174.724 175.328 0.118 0.000 1.430 316 H CA -0.515 55.575 56.048 0.069 0.000 1.189 316 H CB 0.825 30.610 29.762 0.039 0.000 1.875 316 H HN 0.473 nan 8.280 nan 0.000 0.568 317 T N -2.338 112.353 114.554 0.227 0.000 2.943 317 T HA 0.550 4.915 4.350 0.024 0.000 0.284 317 T C 1.311 176.165 174.700 0.257 0.000 1.015 317 T CA -0.416 61.824 62.100 0.234 0.000 1.042 317 T CB 1.530 70.492 68.868 0.157 0.000 1.055 317 T HN 0.927 nan 8.240 nan 0.000 0.500 318 A N 1.214 124.160 122.820 0.209 0.000 2.076 318 A HA -0.061 4.273 4.320 0.024 0.000 0.220 318 A C 1.740 179.403 177.584 0.133 0.000 1.160 318 A CA 1.818 53.955 52.037 0.167 0.000 0.653 318 A CB -1.097 17.987 19.000 0.141 0.000 0.801 318 A HN 1.002 nan 8.150 nan 0.000 0.455 319 D N -2.902 117.556 120.400 0.095 0.000 2.349 319 D HA 0.312 4.966 4.640 0.024 0.000 0.224 319 D C 1.083 177.414 176.300 0.051 0.000 1.029 319 D CA 0.953 54.982 54.000 0.050 0.000 0.879 319 D CB -0.274 40.528 40.800 0.003 0.000 0.906 319 D HN 0.701 nan 8.370 nan 0.000 0.528 320 G N -1.134 107.724 108.800 0.096 0.000 2.168 320 G HA2 -0.204 3.771 3.960 0.024 0.000 0.197 320 G HA3 -0.204 3.771 3.960 0.024 0.000 0.197 320 G C 0.171 175.093 174.900 0.036 0.000 0.997 320 G CA 0.037 45.156 45.100 0.033 0.000 0.658 320 G HN 0.386 nan 8.290 nan 0.000 0.513 321 T N 1.530 116.134 114.554 0.083 0.000 2.743 321 T HA 0.532 4.897 4.350 0.024 0.000 0.293 321 T C 0.175 174.951 174.700 0.126 0.000 0.945 321 T CA -0.266 61.875 62.100 0.069 0.000 1.030 321 T CB 1.848 70.739 68.868 0.038 0.000 0.912 321 T HN 0.529 nan 8.240 nan 0.000 0.483 322 L N 5.308 126.583 121.223 0.087 0.000 2.360 322 L HA 0.357 4.711 4.340 0.024 0.000 0.276 322 L C 0.695 177.618 176.870 0.090 0.000 1.121 322 L CA 0.395 55.297 54.840 0.104 0.000 0.845 322 L CB -0.010 42.081 42.059 0.054 0.000 1.143 322 L HN 0.705 nan 8.230 nan 0.000 0.452 323 I N 2.915 123.547 120.570 0.104 0.000 2.499 323 I HA 0.143 4.328 4.170 0.024 0.000 0.243 323 I C 0.344 176.488 176.117 0.046 0.000 1.085 323 I CA 0.389 61.730 61.300 0.069 0.000 1.422 323 I CB 0.109 38.152 38.000 0.071 0.000 1.165 323 I HN 0.778 nan 8.210 nan 0.000 0.440 324 E N 0.441 120.669 120.200 0.047 0.000 2.429 324 E HA 0.726 5.091 4.350 0.024 0.000 0.280 324 E C -1.528 175.095 176.600 0.038 0.000 1.068 324 E CA -1.092 55.325 56.400 0.028 0.000 0.837 324 E CB 2.001 31.683 29.700 -0.030 0.000 1.357 324 E HN 0.017 nan 8.360 nan 0.000 0.455 325 A N 1.187 124.048 122.820 0.068 0.000 2.414 325 A HA 0.703 5.038 4.320 0.024 0.000 0.306 325 A C -1.051 176.632 177.584 0.165 0.000 1.054 325 A CA -0.717 51.371 52.037 0.084 0.000 0.724 325 A CB 1.714 20.766 19.000 0.088 0.000 1.267 325 A HN 0.517 nan 8.150 nan 0.000 0.418 326 E N -0.365 119.869 120.200 0.056 0.000 2.378 326 E HA 0.858 5.223 4.350 0.024 0.000 0.265 326 E C -0.493 176.152 176.600 0.074 0.000 0.932 326 E CA -0.426 56.033 56.400 0.098 0.000 0.795 326 E CB 2.411 32.008 29.700 -0.171 0.000 1.296 326 E HN 1.320 nan 8.360 nan 0.000 0.438 327 A N -0.215 122.774 122.820 0.282 0.000 2.515 327 A HA 0.717 5.051 4.320 0.024 0.000 0.292 327 A C -1.252 176.565 177.584 0.388 0.000 1.065 327 A CA -0.258 51.885 52.037 0.176 0.000 0.641 327 A CB 0.551 19.601 19.000 0.083 0.000 1.306 327 A HN 0.940 nan 8.150 nan 0.000 0.441 328 C N -0.959 118.515 119.300 0.291 0.000 3.306 328 C HA 0.795 5.269 4.460 0.024 0.000 0.335 328 C C -1.509 173.591 174.990 0.184 0.000 1.382 328 C CA -0.951 58.231 59.018 0.274 0.000 1.254 328 C CB 0.947 28.867 27.740 0.300 0.000 1.555 328 C HN 0.836 nan 8.230 nan 0.000 0.463 329 D N 0.931 121.416 120.400 0.142 0.000 2.302 329 D HA 0.531 5.186 4.640 0.024 0.000 0.248 329 D C -0.439 175.915 176.300 0.091 0.000 1.094 329 D CA 0.128 54.209 54.000 0.134 0.000 0.897 329 D CB 1.803 42.684 40.800 0.136 0.000 1.200 329 D HN 0.539 nan 8.370 nan 0.000 0.429 330 V N 1.344 121.339 119.914 0.134 0.000 2.409 330 V HA 0.597 4.731 4.120 0.024 0.000 0.291 330 V C 0.593 176.753 176.094 0.111 0.000 1.020 330 V CA -0.828 61.504 62.300 0.054 0.000 0.848 330 V CB 1.877 33.731 31.823 0.052 0.000 0.990 330 V HN 0.607 nan 8.190 nan 0.000 0.430 331 G N 3.432 112.182 108.800 -0.084 0.000 2.422 331 G HA2 0.597 4.572 3.960 0.024 0.000 0.317 331 G HA3 0.597 4.572 3.960 0.024 0.000 0.317 331 G C -0.898 174.064 174.900 0.103 0.000 1.210 331 G CA -0.407 44.723 45.100 0.051 0.000 0.930 331 G HN 0.433 nan 8.290 nan 0.000 0.468 332 F N 3.907 124.051 119.950 0.323 0.000 2.462 332 F HA 0.399 4.940 4.527 0.024 0.000 0.360 332 F C 1.186 177.262 175.800 0.459 0.000 1.134 332 F CA -0.064 58.187 58.000 0.417 0.000 1.148 332 F CB 0.552 39.819 39.000 0.445 0.000 1.147 332 F HN 0.452 nan 8.300 nan 0.000 0.550 333 R N 2.939 123.743 120.500 0.506 0.000 2.663 333 R HA 0.405 4.759 4.340 0.024 0.000 0.267 333 R C -1.844 174.618 176.300 0.270 0.000 1.038 333 R CA -0.814 55.433 56.100 0.244 0.000 0.886 333 R CB 1.615 32.081 30.300 0.276 0.000 1.249 333 R HN 0.590 nan 8.270 nan 0.000 0.463 334 E N 2.332 122.590 120.200 0.096 0.000 2.176 334 E HA 0.460 4.824 4.350 0.024 0.000 0.267 334 E C -1.268 175.404 176.600 0.121 0.000 0.893 334 E CA -0.885 55.636 56.400 0.203 0.000 0.761 334 E CB 2.015 31.890 29.700 0.291 0.000 1.133 334 E HN 0.404 nan 8.360 nan 0.000 0.409 335 V N 5.256 125.237 119.914 0.112 0.000 2.448 335 V HA 0.631 4.765 4.120 0.024 0.000 0.295 335 V C -0.366 175.769 176.094 0.069 0.000 1.025 335 V CA -0.651 61.688 62.300 0.065 0.000 0.859 335 V CB 1.224 33.063 31.823 0.028 0.000 0.988 335 V HN 0.800 nan 8.190 nan 0.000 0.431 336 R N 3.768 124.304 120.500 0.060 0.000 2.664 336 R HA 0.700 5.054 4.340 0.024 0.000 0.266 336 R C -2.075 174.251 176.300 0.045 0.000 1.046 336 R CA -0.850 55.285 56.100 0.060 0.000 0.885 336 R CB 1.402 31.750 30.300 0.080 0.000 1.254 336 R HN 0.478 nan 8.270 nan 0.000 0.465 337 I N 1.362 121.958 120.570 0.042 0.000 2.336 337 I HA 0.377 4.562 4.170 0.024 0.000 0.292 337 I C -0.485 175.654 176.117 0.036 0.000 0.991 337 I CA -0.301 61.019 61.300 0.033 0.000 1.227 337 I CB 1.748 39.768 38.000 0.033 0.000 1.366 337 I HN 0.703 nan 8.210 nan 0.000 0.466 338 E N 5.613 125.831 120.200 0.030 0.000 2.275 338 E HA 0.242 4.607 4.350 0.024 0.000 0.270 338 E C -0.173 176.441 176.600 0.022 0.000 0.882 338 E CA -0.639 55.780 56.400 0.031 0.000 0.758 338 E CB 1.083 30.807 29.700 0.040 0.000 1.195 338 E HN 0.515 nan 8.360 nan 0.000 0.419 339 N N 3.333 122.046 118.700 0.022 0.000 2.710 339 N HA -0.253 4.502 4.740 0.024 0.000 0.249 339 N C 0.440 175.956 175.510 0.011 0.000 1.059 339 N CA 2.128 55.188 53.050 0.016 0.000 0.720 339 N CB -1.195 37.300 38.487 0.014 0.000 0.983 339 N HN 0.992 nan 8.380 nan 0.000 0.544 340 G N -2.203 106.604 108.800 0.012 0.000 2.159 340 G HA2 -0.271 3.704 3.960 0.024 0.000 0.256 340 G HA3 -0.271 3.704 3.960 0.024 0.000 0.256 340 G C -0.119 174.778 174.900 -0.006 0.000 0.977 340 G CA 0.488 45.591 45.100 0.005 0.000 0.652 340 G HN 0.496 nan 8.290 nan 0.000 0.531 341 L N -0.211 121.009 121.223 -0.005 0.000 2.362 341 L HA 0.696 5.051 4.340 0.024 0.000 0.271 341 L C 0.087 176.948 176.870 -0.016 0.000 1.002 341 L CA -1.382 53.447 54.840 -0.018 0.000 0.818 341 L CB 1.881 43.929 42.059 -0.019 0.000 1.298 341 L HN 0.076 nan 8.230 nan 0.000 0.420 342 L N 4.301 125.503 121.223 -0.036 0.000 2.325 342 L HA 0.433 4.787 4.340 0.024 0.000 0.284 342 L C -0.894 175.951 176.870 -0.042 0.000 1.089 342 L CA 0.455 55.272 54.840 -0.038 0.000 0.836 342 L CB 0.129 42.150 42.059 -0.062 0.000 1.184 342 L HN 0.376 nan 8.230 nan 0.000 0.444 343 L N 6.024 127.239 121.223 -0.014 0.000 2.346 343 L HA 0.562 4.917 4.340 0.024 0.000 0.276 343 L C -0.873 176.005 176.870 0.013 0.000 1.006 343 L CA -0.798 54.044 54.840 0.002 0.000 0.817 343 L CB 2.005 44.087 42.059 0.039 0.000 1.272 343 L HN 0.535 nan 8.230 nan 0.000 0.421 344 L N 3.794 125.033 121.223 0.026 0.000 2.349 344 L HA 0.515 4.870 4.340 0.024 0.000 0.278 344 L C -0.279 176.618 176.870 0.045 0.000 0.996 344 L CA -0.040 54.829 54.840 0.049 0.000 0.825 344 L CB 1.005 43.106 42.059 0.071 0.000 1.243 344 L HN 0.605 nan 8.230 nan 0.000 0.412 345 N N 4.180 122.782 118.700 -0.163 0.000 2.727 345 N HA -0.211 4.543 4.740 0.024 0.000 0.249 345 N C 0.939 176.181 175.510 -0.446 0.000 1.048 345 N CA 1.362 53.997 53.050 -0.691 0.000 0.714 345 N CB -1.222 36.759 38.487 -0.843 0.000 0.959 345 N HN 1.183 nan 8.380 nan 0.000 0.544 346 G N -2.242 106.551 108.800 -0.012 0.000 2.189 346 G HA2 -0.373 3.602 3.960 0.024 0.000 0.267 346 G HA3 -0.373 3.602 3.960 0.024 0.000 0.267 346 G C 0.011 174.954 174.900 0.072 0.000 0.975 346 G CA 1.015 46.197 45.100 0.138 0.000 0.644 346 G HN 0.396 nan 8.290 nan 0.000 0.537 347 K N 0.714 121.145 120.400 0.051 0.000 2.221 347 K HA 0.601 4.936 4.320 0.024 0.000 0.258 347 K C -2.635 173.942 176.600 -0.038 0.000 0.944 347 K CA -2.820 53.454 56.287 -0.021 0.000 0.823 347 K CB 1.977 34.389 32.500 -0.145 0.000 1.113 347 K HN 0.005 nan 8.250 nan 0.000 0.431 348 P HA 0.209 nan 4.420 nan 0.000 0.276 348 P C -0.191 177.045 177.300 -0.107 0.000 1.243 348 P CA -0.269 62.787 63.100 -0.073 0.000 0.768 348 P CB 0.489 32.148 31.700 -0.068 0.000 0.856 349 L N 3.189 124.339 121.223 -0.121 0.000 2.466 349 L HA 0.333 4.687 4.340 0.024 0.000 0.257 349 L C 0.607 177.390 176.870 -0.145 0.000 1.189 349 L CA -0.561 54.190 54.840 -0.147 0.000 0.813 349 L CB 0.238 42.161 42.059 -0.227 0.000 1.118 349 L HN 0.239 nan 8.230 nan 0.000 0.471 350 L N 2.934 124.087 121.223 -0.117 0.000 2.427 350 L HA 0.415 4.769 4.340 0.024 0.000 0.264 350 L C -0.603 176.211 176.870 -0.093 0.000 0.989 350 L CA -0.225 54.537 54.840 -0.131 0.000 0.865 350 L CB 0.803 42.819 42.059 -0.072 0.000 1.209 350 L HN 0.238 nan 8.230 nan 0.000 0.430 351 I N 4.692 125.132 120.570 -0.218 0.000 2.483 351 I HA 0.147 4.332 4.170 0.024 0.000 0.291 351 I C 0.557 176.613 176.117 -0.100 0.000 1.112 351 I CA 0.299 61.471 61.300 -0.213 0.000 1.350 351 I CB 0.121 37.873 38.000 -0.413 0.000 1.419 351 I HN 0.569 nan 8.210 nan 0.000 0.523 352 R N 4.664 125.205 120.500 0.068 0.000 3.070 352 R HA 0.445 4.800 4.340 0.024 0.000 0.252 352 R C 0.539 176.924 176.300 0.142 0.000 1.370 352 R CA -0.243 55.951 56.100 0.157 0.000 1.482 352 R CB 0.890 31.113 30.300 -0.129 0.000 1.220 352 R HN 0.773 nan 8.270 nan 0.000 0.622 353 G N 0.014 108.836 108.800 0.036 0.000 2.552 353 G HA2 0.603 4.578 3.960 0.024 0.000 0.324 353 G HA3 0.603 4.578 3.960 0.024 0.000 0.324 353 G C -1.333 173.815 174.900 0.413 0.000 1.217 353 G CA -0.463 44.627 45.100 -0.016 0.000 0.989 353 G HN 0.233 nan 8.290 nan 0.000 0.490 354 V N 0.048 120.209 119.914 0.412 0.000 2.888 354 V HA 0.463 4.597 4.120 0.024 0.000 0.309 354 V C -1.060 175.174 176.094 0.234 0.000 1.114 354 V CA -1.187 61.255 62.300 0.238 0.000 0.940 354 V CB 2.198 33.887 31.823 -0.224 0.000 1.021 354 V HN 0.773 nan 8.190 nan 0.000 0.426 355 N N 4.515 123.270 118.700 0.092 0.000 2.518 355 N HA 0.458 5.213 4.740 0.024 0.000 0.283 355 N C -0.821 174.486 175.510 -0.337 0.000 1.119 355 N CA -0.397 52.581 53.050 -0.120 0.000 0.983 355 N CB 1.552 39.937 38.487 -0.169 0.000 1.139 355 N HN 0.628 nan 8.380 nan 0.000 0.465 356 R N 2.192 122.455 120.500 -0.395 0.000 2.514 356 R HA 0.218 4.573 4.340 0.024 0.000 0.296 356 R C -1.209 174.808 176.300 -0.472 0.000 1.012 356 R CA -0.521 55.344 56.100 -0.393 0.000 0.897 356 R CB 0.908 30.988 30.300 -0.366 0.000 1.184 356 R HN 0.605 nan 8.270 nan 0.000 0.440 357 H N 2.244 121.145 119.070 -0.281 0.000 2.505 357 H HA 0.142 4.713 4.556 0.025 0.000 0.351 357 H C -0.469 174.824 175.328 -0.058 0.000 1.151 357 H CA -0.005 55.968 56.048 -0.125 0.000 1.339 357 H CB 1.521 31.282 29.762 -0.001 0.000 1.483 357 H HN 0.552 nan 8.280 nan 0.000 0.558 358 E N 2.105 122.453 120.200 0.247 0.000 1.893 358 E HA 0.073 4.437 4.350 0.024 0.000 0.269 358 E C -0.655 176.073 176.600 0.214 0.000 1.129 358 E CA -0.004 56.477 56.400 0.134 0.000 0.904 358 E CB 0.110 29.908 29.700 0.163 0.000 1.077 358 E HN 0.374 nan 8.360 nan 0.000 0.407 359 H N 1.665 120.780 119.070 0.076 0.000 2.782 359 H HA 0.217 4.788 4.556 0.024 0.000 0.347 359 H C -1.528 173.832 175.328 0.053 0.000 1.038 359 H CA -0.668 55.417 56.048 0.062 0.000 1.255 359 H CB 0.894 30.680 29.762 0.041 0.000 1.623 359 H HN 0.365 nan 8.280 nan 0.000 0.525 360 H N 6.780 125.514 119.070 -0.559 0.000 2.589 360 H HA 0.211 4.781 4.556 0.024 0.000 0.335 360 H C -2.194 172.737 175.328 -0.661 0.000 1.019 360 H CA -2.481 53.325 56.048 -0.402 0.000 1.213 360 H CB 2.391 32.071 29.762 -0.137 0.000 1.472 360 H HN 0.583 nan 8.280 nan 0.000 0.508 361 P HA -0.091 nan 4.420 nan 0.000 0.225 361 P C 1.093 178.249 177.300 -0.241 0.000 1.148 361 P CA 0.637 63.555 63.100 -0.304 0.000 0.779 361 P CB 0.910 32.486 31.700 -0.208 0.000 0.780 362 L N -1.816 119.339 121.223 -0.114 0.000 2.453 362 L HA 0.159 4.513 4.340 0.024 0.000 0.190 362 L C 2.387 179.047 176.870 -0.351 0.000 1.093 362 L CA 0.787 55.484 54.840 -0.238 0.000 0.834 362 L CB -0.514 41.308 42.059 -0.394 0.000 1.090 362 L HN -0.120 nan 8.230 nan 0.000 0.489 363 H N -0.676 118.404 119.070 0.017 0.000 2.551 363 H HA 0.238 4.808 4.556 0.024 0.000 0.266 363 H C 1.357 176.574 175.328 -0.185 0.000 0.977 363 H CA 0.443 56.371 56.048 -0.199 0.000 1.163 363 H CB 0.136 29.643 29.762 -0.426 0.000 1.381 363 H HN 0.478 nan 8.280 nan 0.000 0.581 364 G N 1.053 109.753 108.800 -0.167 0.000 2.588 364 G HA2 -0.371 3.603 3.960 0.024 0.000 0.273 364 G HA3 -0.371 3.603 3.960 0.024 0.000 0.273 364 G C 0.632 175.418 174.900 -0.191 0.000 1.211 364 G CA 0.280 45.219 45.100 -0.267 0.000 0.958 364 G HN 0.440 nan 8.290 nan 0.000 0.543 365 Q N -0.035 119.685 119.800 -0.133 0.000 2.220 365 Q HA 0.488 4.843 4.340 0.024 0.000 0.205 365 Q C 0.218 176.283 176.000 0.109 0.000 0.865 365 Q CA -0.103 55.665 55.803 -0.058 0.000 0.960 365 Q CB 1.369 29.962 28.738 -0.242 0.000 1.097 365 Q HN 0.352 nan 8.270 nan 0.000 0.493 366 V N 1.935 121.901 119.914 0.086 0.000 2.461 366 V HA 0.203 4.338 4.120 0.024 0.000 0.275 366 V C 0.062 176.200 176.094 0.072 0.000 1.047 366 V CA -0.036 62.334 62.300 0.117 0.000 0.955 366 V CB 1.091 32.927 31.823 0.022 0.000 0.988 366 V HN 0.319 nan 8.190 nan 0.000 0.471 367 M N 5.301 124.951 119.600 0.084 0.000 2.472 367 M HA 0.481 4.975 4.480 0.024 0.000 0.331 367 M C -0.366 175.890 176.300 -0.074 0.000 1.170 367 M CA -0.712 54.592 55.300 0.005 0.000 1.009 367 M CB 1.776 34.341 32.600 -0.059 0.000 1.672 367 M HN 0.835 nan 8.290 nan 0.000 0.453 368 D N 0.515 120.881 120.400 -0.056 0.000 2.433 368 D HA 0.196 4.851 4.640 0.024 0.000 0.236 368 D C 0.182 176.467 176.300 -0.026 0.000 1.026 368 D CA -0.380 53.588 54.000 -0.053 0.000 0.884 368 D CB 1.785 42.565 40.800 -0.033 0.000 1.384 368 D HN 0.759 nan 8.370 nan 0.000 0.477 369 E N 0.400 120.595 120.200 -0.009 0.000 2.097 369 E HA -0.310 4.054 4.350 0.024 0.000 0.196 369 E C 1.290 177.934 176.600 0.073 0.000 1.000 369 E CA 1.554 57.978 56.400 0.039 0.000 0.804 369 E CB 0.167 29.905 29.700 0.064 0.000 0.740 369 E HN 0.290 nan 8.360 nan 0.000 0.454 370 Q N 0.187 120.031 119.800 0.074 0.000 2.061 370 Q HA -0.117 4.238 4.340 0.024 0.000 0.204 370 Q C 2.269 178.331 176.000 0.103 0.000 0.984 370 Q CA 2.204 58.060 55.803 0.088 0.000 0.846 370 Q CB -0.902 27.888 28.738 0.087 0.000 0.902 370 Q HN 0.310 nan 8.270 nan 0.000 0.421 371 T N 0.699 115.326 114.554 0.121 0.000 2.746 371 T HA -0.124 4.240 4.350 0.024 0.000 0.267 371 T C 1.824 176.608 174.700 0.140 0.000 1.039 371 T CA 1.356 63.541 62.100 0.143 0.000 1.142 371 T CB -0.164 68.818 68.868 0.190 0.000 0.866 371 T HN 0.229 nan 8.240 nan 0.000 0.444 372 M N 0.425 120.111 119.600 0.143 0.000 2.065 372 M HA -0.116 4.379 4.480 0.024 0.000 0.259 372 M C 2.508 178.913 176.300 0.175 0.000 1.069 372 M CA 1.482 56.936 55.300 0.256 0.000 1.110 372 M CB -0.826 31.931 32.600 0.261 0.000 1.328 372 M HN 0.097 nan 8.290 nan 0.000 0.405 373 V N 0.415 120.377 119.914 0.079 0.000 2.282 373 V HA -0.336 3.799 4.120 0.024 0.000 0.249 373 V C 2.397 178.469 176.094 -0.037 0.000 1.057 373 V CA 2.288 64.570 62.300 -0.030 0.000 1.032 373 V CB -0.885 30.960 31.823 0.036 0.000 0.645 373 V HN 0.578 nan 8.190 nan 0.000 0.447 374 Q N -0.673 119.157 119.800 0.051 0.000 2.135 374 Q HA -0.281 4.073 4.340 0.024 0.000 0.204 374 Q C 1.945 178.016 176.000 0.118 0.000 0.981 374 Q CA 2.145 57.998 55.803 0.083 0.000 0.856 374 Q CB -0.131 28.674 28.738 0.112 0.000 0.902 374 Q HN 0.641 nan 8.270 nan 0.000 0.425 375 D N 0.162 120.642 120.400 0.134 0.000 2.097 375 D HA -0.115 4.540 4.640 0.024 0.000 0.197 375 D C 1.906 178.160 176.300 -0.077 0.000 0.984 375 D CA 1.019 55.107 54.000 0.147 0.000 0.826 375 D CB -0.167 40.716 40.800 0.138 0.000 0.973 375 D HN 0.331 nan 8.370 nan 0.000 0.460 376 I N 0.708 121.209 120.570 -0.114 0.000 2.163 376 I HA -0.258 3.927 4.170 0.024 0.000 0.243 376 I C 2.435 178.417 176.117 -0.224 0.000 1.085 376 I CA 0.749 61.883 61.300 -0.277 0.000 1.347 376 I CB -0.161 37.550 38.000 -0.482 0.000 1.044 376 I HN 0.007 nan 8.210 nan 0.000 0.408 377 L N 0.028 121.154 121.223 -0.161 0.000 2.046 377 L HA -0.237 4.117 4.340 0.024 0.000 0.208 377 L C 2.557 179.505 176.870 0.130 0.000 1.077 377 L CA 1.342 56.186 54.840 0.007 0.000 0.747 377 L CB -0.545 41.535 42.059 0.035 0.000 0.896 377 L HN 0.312 nan 8.230 nan 0.000 0.432 378 L N -0.995 120.323 121.223 0.159 0.000 2.046 378 L HA -0.245 4.109 4.340 0.024 0.000 0.208 378 L C 2.687 179.748 176.870 0.319 0.000 1.077 378 L CA 1.361 56.385 54.840 0.306 0.000 0.747 378 L CB -0.275 42.085 42.059 0.502 0.000 0.896 378 L HN 0.292 nan 8.230 nan 0.000 0.432 379 M N -0.603 119.009 119.600 0.022 0.000 2.065 379 M HA -0.256 4.239 4.480 0.024 0.000 0.259 379 M C 2.296 178.707 176.300 0.186 0.000 1.069 379 M CA 1.916 57.155 55.300 -0.102 0.000 1.110 379 M CB -0.293 31.999 32.600 -0.513 0.000 1.328 379 M HN 0.063 nan 8.290 nan 0.000 0.405 380 K N -0.078 120.327 120.400 0.008 0.000 2.057 380 K HA -0.178 4.156 4.320 0.024 0.000 0.207 380 K C 1.921 178.518 176.600 -0.006 0.000 1.049 380 K CA 1.395 57.586 56.287 -0.159 0.000 0.931 380 K CB -0.215 32.002 32.500 -0.472 0.000 0.714 380 K HN 0.438 nan 8.250 nan 0.000 0.440 381 Q N 0.388 120.363 119.800 0.293 0.000 2.437 381 Q HA -0.037 4.317 4.340 0.024 0.000 0.210 381 Q C 0.813 177.131 176.000 0.530 0.000 0.972 381 Q CA 0.678 56.789 55.803 0.514 0.000 0.903 381 Q CB 0.117 29.162 28.738 0.512 0.000 0.967 381 Q HN 0.255 nan 8.270 nan 0.000 0.486 382 N N 0.574 119.526 118.700 0.420 0.000 2.251 382 N HA 0.044 4.798 4.740 0.024 0.000 0.217 382 N C -0.534 175.071 175.510 0.159 0.000 1.124 382 N CA 0.066 53.356 53.050 0.400 0.000 0.843 382 N CB 0.647 39.466 38.487 0.554 0.000 1.024 382 N HN 0.149 nan 8.380 nan 0.000 0.501 383 N N 0.243 119.044 118.700 0.169 0.000 2.776 383 N HA -0.183 4.571 4.740 0.024 0.000 0.249 383 N C -1.022 174.359 175.510 -0.215 0.000 1.111 383 N CA 0.691 53.773 53.050 0.053 0.000 0.711 383 N CB -1.776 36.637 38.487 -0.123 0.000 1.065 383 N HN 0.232 nan 8.380 nan 0.000 0.556 384 F N 0.975 120.942 119.950 0.029 0.000 2.385 384 F HA 0.312 4.853 4.527 0.024 0.000 0.336 384 F C 1.747 177.545 175.800 -0.002 0.000 1.100 384 F CA -0.619 57.379 58.000 -0.003 0.000 1.116 384 F CB 0.937 39.903 39.000 -0.056 0.000 1.166 384 F HN 0.055 nan 8.300 nan 0.000 0.511 385 N N 0.995 119.813 118.700 0.197 0.000 2.159 385 N HA 0.427 5.182 4.740 0.024 0.000 0.217 385 N C -0.794 174.801 175.510 0.141 0.000 1.223 385 N CA 0.022 53.144 53.050 0.119 0.000 0.896 385 N CB 0.749 39.371 38.487 0.225 0.000 1.064 385 N HN 0.460 nan 8.380 nan 0.000 0.518 386 A N -0.502 122.449 122.820 0.218 0.000 2.606 386 A HA 0.761 5.095 4.320 0.024 0.000 0.293 386 A C -1.752 176.050 177.584 0.363 0.000 1.082 386 A CA -0.629 51.594 52.037 0.311 0.000 0.685 386 A CB 1.759 20.936 19.000 0.296 0.000 1.284 386 A HN 0.344 nan 8.150 nan 0.000 0.408 387 V N 0.992 121.193 119.914 0.478 0.000 2.932 387 V HA 0.801 4.936 4.120 0.024 0.000 0.307 387 V C -0.775 175.486 176.094 0.278 0.000 1.147 387 V CA -0.684 61.855 62.300 0.399 0.000 0.951 387 V CB 1.873 33.834 31.823 0.231 0.000 1.031 387 V HN 1.193 nan 8.190 nan 0.000 0.426 388 R N 5.031 125.540 120.500 0.014 0.000 2.393 388 R HA 0.500 4.854 4.340 0.024 0.000 0.310 388 R C -0.762 175.399 176.300 -0.231 0.000 0.968 388 R CA -0.465 55.451 56.100 -0.307 0.000 0.867 388 R CB 1.207 31.067 30.300 -0.733 0.000 1.124 388 R HN 0.830 nan 8.270 nan 0.000 0.450 389 C N 4.396 123.582 119.300 -0.191 0.000 2.896 389 C HA 0.105 4.580 4.460 0.024 0.000 0.499 389 C C 0.655 175.348 174.990 -0.495 0.000 1.022 389 C CA -0.428 58.410 59.018 -0.301 0.000 1.127 389 C CB -2.058 25.613 27.740 -0.114 0.000 1.452 389 C HN 0.707 nan 8.230 nan 0.000 0.580 390 S N 1.671 116.963 115.700 -0.681 0.000 2.465 390 S HA 0.173 4.657 4.470 0.024 0.000 0.280 390 S C -0.153 173.586 174.600 -1.435 0.000 1.232 390 S CA 0.177 57.712 58.200 -1.107 0.000 1.066 390 S CB 0.049 62.634 63.200 -1.026 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.992 122.490 119.070 -0.954 0.000 2.439 391 H HA 0.322 4.893 4.556 0.024 0.000 0.228 391 H C -1.186 174.040 175.328 -0.169 0.000 1.423 391 H CA -0.358 55.495 56.048 -0.325 0.000 1.386 391 H CB -0.084 29.692 29.762 0.023 0.000 1.641 391 H HN 0.898 nan 8.280 nan 0.000 0.508 392 Y N -2.732 117.673 120.300 0.175 0.000 2.786 392 Y HA 0.329 4.894 4.550 0.025 0.000 0.365 392 Y C -3.341 172.668 175.900 0.182 0.000 1.171 392 Y CA -2.842 55.371 58.100 0.189 0.000 1.214 392 Y CB -0.100 38.480 38.460 0.200 0.000 1.411 392 Y HN -0.046 nan 8.280 nan 0.000 0.485 393 P HA 0.110 nan 4.420 nan 0.000 0.266 393 P C -0.559 177.043 177.300 0.504 0.000 1.195 393 P CA 0.282 63.651 63.100 0.449 0.000 0.768 393 P CB 0.570 32.467 31.700 0.329 0.000 0.838 394 N N 0.437 119.429 118.700 0.488 0.000 2.447 394 N HA 0.099 4.853 4.740 0.024 0.000 0.271 394 N C 0.052 175.810 175.510 0.414 0.000 1.226 394 N CA -0.603 52.630 53.050 0.306 0.000 0.980 394 N CB 0.351 38.764 38.487 -0.123 0.000 1.206 394 N HN 0.599 nan 8.380 nan 0.000 0.558 395 H N 2.289 121.471 119.070 0.187 0.000 2.928 395 H HA 0.026 4.596 4.556 0.024 0.000 0.338 395 H C -1.668 173.842 175.328 0.303 0.000 1.047 395 H CA -1.119 55.034 56.048 0.174 0.000 1.435 395 H CB 0.995 30.818 29.762 0.102 0.000 1.428 395 H HN 0.429 nan 8.280 nan 0.000 0.590 396 P HA -0.230 nan 4.420 nan 0.000 0.217 396 P C 1.787 179.401 177.300 0.524 0.000 1.148 396 P CA 0.831 64.199 63.100 0.447 0.000 0.834 396 P CB 0.251 32.067 31.700 0.193 0.000 0.783 397 L N -1.056 120.522 121.223 0.592 0.000 2.201 397 L HA -0.050 4.305 4.340 0.024 0.000 0.212 397 L C 2.470 179.503 176.870 0.271 0.000 1.105 397 L CA 1.376 56.449 54.840 0.388 0.000 0.775 397 L CB -1.404 40.843 42.059 0.314 0.000 0.913 397 L HN 0.019 nan 8.230 nan 0.000 0.440 398 W N -0.223 121.110 121.300 0.055 0.000 2.317 398 W HA -0.365 4.309 4.660 0.023 0.000 0.318 398 W C 2.169 178.558 176.519 -0.216 0.000 1.227 398 W CA 2.289 59.527 57.345 -0.179 0.000 1.269 398 W CB -0.515 28.719 29.460 -0.377 0.000 1.155 398 W HN 0.296 nan 8.180 nan 0.000 0.484 399 Y N 0.762 120.953 120.300 -0.182 0.000 2.224 399 Y HA -0.223 4.342 4.550 0.024 0.000 0.289 399 Y C 2.848 178.503 175.900 -0.407 0.000 1.146 399 Y CA 2.069 59.853 58.100 -0.527 0.000 1.182 399 Y CB -1.475 36.368 38.460 -1.029 0.000 0.983 399 Y HN -0.200 nan 8.280 nan 0.000 0.524 400 T N 0.933 115.486 114.554 -0.003 0.000 2.684 400 T HA -0.173 4.192 4.350 0.024 0.000 0.267 400 T C 1.993 176.729 174.700 0.061 0.000 1.036 400 T CA 1.649 63.831 62.100 0.137 0.000 1.148 400 T CB -0.609 68.393 68.868 0.222 0.000 0.863 400 T HN 0.254 nan 8.240 nan 0.000 0.436 401 L N 0.335 121.556 121.223 -0.004 0.000 2.083 401 L HA -0.106 4.248 4.340 0.024 0.000 0.209 401 L C 2.875 179.747 176.870 0.003 0.000 1.083 401 L CA 0.881 55.753 54.840 0.053 0.000 0.752 401 L CB -0.857 41.194 42.059 -0.014 0.000 0.899 401 L HN 0.388 nan 8.230 nan 0.000 0.433 402 C N -0.127 119.011 119.300 -0.271 0.000 2.440 402 C HA -0.120 4.354 4.460 0.024 0.000 0.278 402 C C 2.426 177.470 174.990 0.091 0.000 1.295 402 C CA 0.380 59.270 59.018 -0.214 0.000 1.738 402 C CB -0.743 26.754 27.740 -0.406 0.000 1.987 402 C HN 0.541 nan 8.230 nan 0.000 0.492 403 D N 0.505 120.961 120.400 0.094 0.000 2.117 403 D HA -0.097 4.557 4.640 0.024 0.000 0.197 403 D C 2.378 178.889 176.300 0.351 0.000 0.987 403 D CA 1.205 55.341 54.000 0.226 0.000 0.829 403 D CB -0.324 40.565 40.800 0.148 0.000 0.961 403 D HN 0.507 nan 8.370 nan 0.000 0.460 404 R N -0.905 119.689 120.500 0.155 0.000 2.062 404 R HA 0.004 4.359 4.340 0.024 0.000 0.226 404 R C 2.249 178.484 176.300 -0.108 0.000 1.125 404 R CA 0.712 56.816 56.100 0.007 0.000 0.966 404 R CB -0.236 29.986 30.300 -0.131 0.000 0.861 404 R HN 0.261 nan 8.270 nan 0.000 0.433 405 Y N -0.289 120.018 120.300 0.012 0.000 2.420 405 Y HA 0.163 4.728 4.550 0.024 0.000 0.292 405 Y C 0.884 176.710 175.900 -0.124 0.000 1.119 405 Y CA 0.680 58.763 58.100 -0.028 0.000 1.229 405 Y CB 0.634 39.050 38.460 -0.074 0.000 1.026 405 Y HN 0.258 nan 8.280 nan 0.000 0.554 406 G N 1.306 110.138 108.800 0.052 0.000 3.110 406 G HA2 -0.158 3.816 3.960 0.024 0.000 0.506 406 G HA3 -0.158 3.816 3.960 0.024 0.000 0.506 406 G C -1.215 173.526 174.900 -0.265 0.000 1.077 406 G CA -0.579 44.420 45.100 -0.169 0.000 0.960 406 G HN 0.166 nan 8.290 nan 0.000 0.434 407 L N 1.678 122.808 121.223 -0.155 0.000 2.505 407 L HA 0.399 4.754 4.340 0.024 0.000 0.266 407 L C -0.041 176.820 176.870 -0.015 0.000 0.954 407 L CA -1.206 53.521 54.840 -0.188 0.000 0.852 407 L CB 1.903 43.877 42.059 -0.142 0.000 1.282 407 L HN 0.552 nan 8.230 nan 0.000 0.403 408 Y N 2.477 122.903 120.300 0.211 0.000 2.526 408 Y HA 0.268 4.834 4.550 0.026 0.000 0.330 408 Y C 0.338 176.372 175.900 0.224 0.000 1.156 408 Y CA -0.426 57.835 58.100 0.268 0.000 1.419 408 Y CB 0.858 39.455 38.460 0.228 0.000 1.250 408 Y HN 0.161 nan 8.280 nan 0.000 0.540 409 V N 4.297 124.403 119.914 0.320 0.000 2.628 409 V HA 0.337 4.471 4.120 0.024 0.000 0.306 409 V C -0.498 175.684 176.094 0.146 0.000 1.045 409 V CA -1.075 61.358 62.300 0.221 0.000 0.905 409 V CB 1.894 33.812 31.823 0.160 0.000 0.997 409 V HN 0.443 nan 8.190 nan 0.000 0.436 410 V N 2.961 122.932 119.914 0.094 0.000 2.318 410 V HA 0.313 4.448 4.120 0.024 0.000 0.271 410 V C -0.339 175.793 176.094 0.064 0.000 1.030 410 V CA -0.300 62.000 62.300 0.001 0.000 0.844 410 V CB 1.303 33.009 31.823 -0.194 0.000 1.015 410 V HN 0.891 nan 8.190 nan 0.000 0.460 411 D N 4.159 124.637 120.400 0.129 0.000 2.280 411 D HA 0.278 4.933 4.640 0.024 0.000 0.243 411 D C -0.190 176.303 176.300 0.323 0.000 1.129 411 D CA -0.114 54.061 54.000 0.291 0.000 0.848 411 D CB 1.307 42.329 40.800 0.369 0.000 1.107 411 D HN 0.662 nan 8.370 nan 0.000 0.471 412 E N 2.059 122.411 120.200 0.252 0.000 2.165 412 E HA 0.591 4.955 4.350 0.024 0.000 0.266 412 E C -0.867 175.873 176.600 0.233 0.000 0.889 412 E CA -0.969 55.561 56.400 0.218 0.000 0.756 412 E CB 1.167 30.945 29.700 0.128 0.000 1.131 412 E HN 0.474 nan 8.360 nan 0.000 0.411 413 A N 4.136 127.085 122.820 0.215 0.000 2.466 413 A HA 0.041 4.375 4.320 0.024 0.000 0.238 413 A C 0.343 178.058 177.584 0.219 0.000 1.074 413 A CA -0.194 51.951 52.037 0.180 0.000 0.774 413 A CB 0.152 19.218 19.000 0.111 0.000 1.015 413 A HN 0.735 nan 8.150 nan 0.000 0.498 414 N N 0.986 119.824 118.700 0.230 0.000 3.124 414 N HA 0.315 5.070 4.740 0.024 0.000 0.284 414 N C -1.100 174.546 175.510 0.227 0.000 1.209 414 N CA 0.182 53.402 53.050 0.284 0.000 1.149 414 N CB -0.774 37.890 38.487 0.295 0.000 1.434 414 N HN 0.469 nan 8.380 nan 0.000 0.529 415 I N 0.949 121.649 120.570 0.216 0.000 2.497 415 I HA 0.262 4.446 4.170 0.024 0.000 0.284 415 I C -0.702 175.522 176.117 0.179 0.000 1.060 415 I CA -0.565 60.844 61.300 0.181 0.000 1.071 415 I CB 1.779 39.860 38.000 0.135 0.000 1.216 415 I HN 0.261 nan 8.210 nan 0.000 0.442 416 E N 4.219 124.521 120.200 0.170 0.000 2.294 416 E HA 0.355 4.719 4.350 0.024 0.000 0.272 416 E C -0.511 176.157 176.600 0.113 0.000 0.896 416 E CA -0.431 56.040 56.400 0.118 0.000 0.802 416 E CB 1.588 31.335 29.700 0.079 0.000 1.267 416 E HN 0.589 nan 8.360 nan 0.000 0.406 417 T N 0.696 115.304 114.554 0.091 0.000 3.355 417 T HA 0.147 4.511 4.350 0.024 0.000 0.276 417 T C 0.963 175.700 174.700 0.062 0.000 1.003 417 T CA -0.252 61.918 62.100 0.118 0.000 0.943 417 T CB -0.294 68.631 68.868 0.094 0.000 1.158 417 T HN 0.673 nan 8.240 nan 0.000 0.513 418 H N 1.281 120.265 119.070 -0.144 0.000 2.325 418 H HA -0.133 4.438 4.556 0.025 0.000 0.293 418 H C 2.234 177.435 175.328 -0.211 0.000 1.106 418 H CA 1.523 57.457 56.048 -0.189 0.000 1.247 418 H CB -0.235 29.387 29.762 -0.233 0.000 1.359 418 H HN 0.580 nan 8.280 nan 0.000 0.488 419 G N 0.120 108.762 108.800 -0.263 0.000 2.848 419 G HA2 -0.001 3.974 3.960 0.024 0.000 0.208 419 G HA3 -0.001 3.974 3.960 0.024 0.000 0.208 419 G C 0.372 175.380 174.900 0.181 0.000 1.152 419 G CA -0.187 44.803 45.100 -0.183 0.000 0.789 419 G HN 0.145 nan 8.290 nan 0.000 0.531 420 M N 0.370 120.113 119.600 0.238 0.000 2.198 420 M HA 0.310 4.805 4.480 0.024 0.000 0.315 420 M C -0.316 176.021 176.300 0.061 0.000 1.134 420 M CA -0.293 55.105 55.300 0.164 0.000 1.171 420 M CB 1.425 34.066 32.600 0.069 0.000 1.413 420 M HN -0.210 nan 8.290 nan 0.000 0.467 421 V N 3.656 123.583 119.914 0.022 0.000 2.443 421 V HA 0.371 4.506 4.120 0.024 0.000 0.293 421 V C -1.950 174.136 176.094 -0.013 0.000 1.021 421 V CA -1.334 60.966 62.300 -0.000 0.000 0.848 421 V CB 1.693 33.511 31.823 -0.008 0.000 0.998 421 V HN 0.726 nan 8.190 nan 0.000 0.424 422 P HA 0.228 nan 4.420 nan 0.000 0.277 422 P C 1.050 178.351 177.300 0.002 0.000 1.276 422 P CA -0.488 62.607 63.100 -0.007 0.000 0.788 422 P CB 0.941 32.638 31.700 -0.005 0.000 1.114 423 M N 0.469 120.076 119.600 0.010 0.000 2.267 423 M HA -0.186 4.309 4.480 0.024 0.000 0.263 423 M C 1.193 177.512 176.300 0.031 0.000 1.063 423 M CA 1.868 57.183 55.300 0.025 0.000 1.090 423 M CB -0.495 32.110 32.600 0.008 0.000 1.392 423 M HN 0.370 nan 8.290 nan 0.000 0.422 424 N N -0.187 118.530 118.700 0.028 0.000 2.313 424 N HA -0.065 4.690 4.740 0.024 0.000 0.207 424 N C 1.124 176.607 175.510 -0.046 0.000 1.141 424 N CA 0.143 53.206 53.050 0.021 0.000 0.830 424 N CB -0.693 37.821 38.487 0.046 0.000 1.008 424 N HN 0.343 nan 8.380 nan 0.000 0.481 425 R N 0.520 120.983 120.500 -0.061 0.000 2.113 425 R HA -0.092 4.263 4.340 0.024 0.000 0.244 425 R C 1.427 177.619 176.300 -0.180 0.000 1.142 425 R CA 1.753 57.791 56.100 -0.104 0.000 0.953 425 R CB -0.118 30.120 30.300 -0.103 0.000 0.860 425 R HN 0.318 nan 8.270 nan 0.000 0.438 426 L N -0.780 120.270 121.223 -0.289 0.000 2.202 426 L HA -0.005 4.349 4.340 0.024 0.000 0.205 426 L C 2.577 179.309 176.870 -0.231 0.000 1.083 426 L CA 1.273 55.834 54.840 -0.465 0.000 0.790 426 L CB -0.650 40.838 42.059 -0.953 0.000 0.942 426 L HN 0.365 nan 8.230 nan 0.000 0.452 427 T N -3.909 110.528 114.554 -0.195 0.000 3.007 427 T HA -0.191 4.174 4.350 0.024 0.000 0.270 427 T C 1.322 175.910 174.700 -0.186 0.000 1.107 427 T CA 1.449 63.408 62.100 -0.234 0.000 1.118 427 T CB -0.267 68.368 68.868 -0.387 0.000 0.889 427 T HN 0.175 nan 8.240 nan 0.000 0.506 428 D N 1.011 121.341 120.400 -0.116 0.000 2.339 428 D HA 0.085 4.740 4.640 0.024 0.000 0.217 428 D C -0.104 176.168 176.300 -0.046 0.000 1.050 428 D CA -0.164 53.783 54.000 -0.088 0.000 0.856 428 D CB -0.082 40.676 40.800 -0.071 0.000 0.922 428 D HN 0.330 nan 8.370 nan 0.000 0.518 429 D N -0.211 120.178 120.400 -0.018 0.000 2.280 429 D HA 0.106 4.761 4.640 0.024 0.000 0.243 429 D C -1.630 174.716 176.300 0.078 0.000 1.129 429 D CA -2.264 51.766 54.000 0.050 0.000 0.848 429 D CB 1.895 42.763 40.800 0.112 0.000 1.107 429 D HN -0.021 nan 8.370 nan 0.000 0.471 430 P HA -0.091 nan 4.420 nan 0.000 0.220 430 P C 0.956 178.256 177.300 -0.001 0.000 1.148 430 P CA 0.748 63.854 63.100 0.009 0.000 0.803 430 P CB 0.303 32.000 31.700 -0.006 0.000 0.782 431 R N -1.624 118.882 120.500 0.011 0.000 2.237 431 R HA -0.078 4.277 4.340 0.024 0.000 0.219 431 R C 1.555 177.742 176.300 -0.189 0.000 1.080 431 R CA 1.102 57.151 56.100 -0.084 0.000 0.995 431 R CB -0.581 29.660 30.300 -0.099 0.000 0.875 431 R HN 0.318 nan 8.270 nan 0.000 0.462 432 W N 0.022 121.265 121.300 -0.095 0.000 3.278 432 W HA 0.139 4.813 4.660 0.023 0.000 0.308 432 W C 1.535 177.994 176.519 -0.100 0.000 1.253 432 W CA -0.506 56.781 57.345 -0.096 0.000 1.759 432 W CB -0.052 29.349 29.460 -0.099 0.000 1.093 432 W HN 0.011 nan 8.180 nan 0.000 0.648 433 L N 2.122 123.367 121.223 0.038 0.000 2.079 433 L HA -0.083 4.272 4.340 0.024 0.000 0.210 433 L C -0.736 176.097 176.870 -0.061 0.000 1.081 433 L CA 2.248 57.075 54.840 -0.020 0.000 0.752 433 L CB -1.553 40.483 42.059 -0.038 0.000 0.896 433 L HN -0.228 nan 8.230 nan 0.000 0.433 434 P HA -0.108 nan 4.420 nan 0.000 0.214 434 P C 1.620 178.859 177.300 -0.102 0.000 1.162 434 P CA 2.083 65.115 63.100 -0.113 0.000 0.879 434 P CB -0.231 31.392 31.700 -0.128 0.000 0.786 435 A N -0.921 121.844 122.820 -0.092 0.000 1.933 435 A HA -0.196 4.138 4.320 0.024 0.000 0.218 435 A C 2.248 179.839 177.584 0.011 0.000 1.175 435 A CA 1.940 53.955 52.037 -0.036 0.000 0.628 435 A CB -1.524 17.467 19.000 -0.015 0.000 0.814 435 A HN 0.106 nan 8.150 nan 0.000 0.444 436 M N 0.191 119.811 119.600 0.032 0.000 2.132 436 M HA -0.149 4.346 4.480 0.024 0.000 0.263 436 M C 2.561 178.811 176.300 -0.083 0.000 1.065 436 M CA 1.694 56.998 55.300 0.007 0.000 1.122 436 M CB -0.360 32.233 32.600 -0.011 0.000 1.365 436 M HN 0.675 nan 8.290 nan 0.000 0.411 437 S N 0.479 116.098 115.700 -0.135 0.000 2.359 437 S HA -0.210 4.275 4.470 0.024 0.000 0.224 437 S C 1.624 176.048 174.600 -0.294 0.000 1.035 437 S CA 1.604 59.653 58.200 -0.252 0.000 1.018 437 S CB -0.708 62.319 63.200 -0.288 0.000 0.876 437 S HN 0.526 nan 8.310 nan 0.000 0.448 438 E N 1.196 121.275 120.200 -0.202 0.000 2.118 438 E HA -0.130 4.235 4.350 0.024 0.000 0.195 438 E C 2.443 178.954 176.600 -0.150 0.000 0.992 438 E CA 1.107 57.397 56.400 -0.184 0.000 0.804 438 E CB -0.199 29.433 29.700 -0.114 0.000 0.741 438 E HN 0.603 nan 8.360 nan 0.000 0.458 439 R N 0.223 120.668 120.500 -0.092 0.000 2.148 439 R HA -0.077 4.277 4.340 0.024 0.000 0.227 439 R C 2.282 178.540 176.300 -0.071 0.000 1.103 439 R CA 0.708 56.786 56.100 -0.037 0.000 0.983 439 R CB -0.026 30.294 30.300 0.033 0.000 0.874 439 R HN 0.030 nan 8.270 nan 0.000 0.451 440 V N 0.313 120.134 119.914 -0.155 0.000 2.341 440 V HA -0.190 3.945 4.120 0.024 0.000 0.240 440 V C 2.530 178.431 176.094 -0.321 0.000 1.035 440 V CA 2.150 64.335 62.300 -0.192 0.000 1.033 440 V CB -0.405 31.296 31.823 -0.202 0.000 0.678 440 V HN 0.501 nan 8.190 nan 0.000 0.464 441 T N -0.169 114.046 114.554 -0.566 0.000 2.699 441 T HA -0.300 4.065 4.350 0.024 0.000 0.268 441 T C 1.888 176.424 174.700 -0.273 0.000 1.036 441 T CA 1.780 63.468 62.100 -0.686 0.000 1.147 441 T CB -0.502 67.802 68.868 -0.940 0.000 0.862 441 T HN 0.435 nan 8.240 nan 0.000 0.446 442 R N 0.283 120.647 120.500 -0.227 0.000 2.189 442 R HA 0.236 4.591 4.340 0.024 0.000 0.223 442 R C 2.633 178.854 176.300 -0.132 0.000 1.092 442 R CA 1.204 57.211 56.100 -0.155 0.000 0.989 442 R CB -0.435 29.783 30.300 -0.137 0.000 0.876 442 R HN 0.490 nan 8.270 nan 0.000 0.457 443 M N 0.516 120.042 119.600 -0.124 0.000 2.098 443 M HA -0.114 4.380 4.480 0.024 0.000 0.262 443 M C 1.882 178.098 176.300 -0.140 0.000 1.072 443 M CA 1.593 56.851 55.300 -0.071 0.000 1.133 443 M CB 0.111 32.718 32.600 0.011 0.000 1.344 443 M HN -0.011 nan 8.290 nan 0.000 0.414 444 V N 1.051 120.750 119.914 -0.359 0.000 2.332 444 V HA -0.312 3.823 4.120 0.024 0.000 0.248 444 V C 2.318 178.288 176.094 -0.208 0.000 1.055 444 V CA 2.058 63.989 62.300 -0.614 0.000 1.038 444 V CB -0.929 30.512 31.823 -0.636 0.000 0.651 444 V HN 0.594 nan 8.190 nan 0.000 0.450 445 Q N -0.751 118.970 119.800 -0.132 0.000 2.135 445 Q HA -0.255 4.099 4.340 0.024 0.000 0.204 445 Q C 2.522 178.443 176.000 -0.131 0.000 0.981 445 Q CA 1.918 57.661 55.803 -0.100 0.000 0.856 445 Q CB -0.167 28.528 28.738 -0.071 0.000 0.902 445 Q HN 0.538 nan 8.270 nan 0.000 0.425 446 R N 0.092 120.504 120.500 -0.147 0.000 2.080 446 R HA -0.092 4.262 4.340 0.024 0.000 0.222 446 R C 0.441 176.665 176.300 -0.127 0.000 1.107 446 R CA 1.443 57.433 56.100 -0.183 0.000 0.980 446 R CB 0.378 30.569 30.300 -0.182 0.000 0.879 446 R HN 0.158 nan 8.270 nan 0.000 0.439 447 D N -0.097 120.291 120.400 -0.020 0.000 2.398 447 D HA 0.003 4.658 4.640 0.024 0.000 0.210 447 D C 1.220 177.626 176.300 0.177 0.000 1.094 447 D CA 0.096 54.132 54.000 0.060 0.000 0.839 447 D CB 0.277 41.042 40.800 -0.057 0.000 0.963 447 D HN 0.375 nan 8.370 nan 0.000 0.506 448 R N 0.532 121.145 120.500 0.187 0.000 2.293 448 R HA 0.015 4.370 4.340 0.024 0.000 0.219 448 R C 0.760 177.062 176.300 0.003 0.000 1.091 448 R CA 0.887 57.110 56.100 0.205 0.000 1.004 448 R CB -0.278 30.083 30.300 0.101 0.000 0.865 448 R HN -0.080 nan 8.270 nan 0.000 0.469 449 N N 0.050 118.677 118.700 -0.122 0.000 2.280 449 N HA 0.005 4.760 4.740 0.024 0.000 0.192 449 N C -0.533 174.836 175.510 -0.235 0.000 1.109 449 N CA 0.190 53.125 53.050 -0.192 0.000 0.855 449 N CB 0.194 38.523 38.487 -0.263 0.000 0.974 449 N HN 0.276 nan 8.380 nan 0.000 0.482 450 H N 1.392 120.392 119.070 -0.116 0.000 2.800 450 H HA 0.124 4.694 4.556 0.024 0.000 0.291 450 H C -1.234 173.934 175.328 -0.268 0.000 1.076 450 H CA -1.334 54.625 56.048 -0.149 0.000 1.452 450 H CB 1.511 31.218 29.762 -0.092 0.000 1.461 450 H HN 0.026 nan 8.280 nan 0.000 0.488 451 P HA -0.189 nan 4.420 nan 0.000 0.216 451 P C 1.620 178.444 177.300 -0.793 0.000 1.150 451 P CA 1.490 64.215 63.100 -0.625 0.000 0.837 451 P CB 0.237 31.247 31.700 -1.151 0.000 0.786 452 S N -0.608 114.698 115.700 -0.658 0.000 2.383 452 S HA -0.090 4.394 4.470 0.024 0.000 0.229 452 S C 1.113 175.682 174.600 -0.052 0.000 1.030 452 S CA 0.720 58.751 58.200 -0.282 0.000 1.002 452 S CB -1.738 61.451 63.200 -0.018 0.000 0.829 452 S HN -0.046 nan 8.310 nan 0.000 0.467 453 V N 3.752 123.609 119.914 -0.094 0.000 2.450 453 V HA 0.170 4.305 4.120 0.024 0.000 0.281 453 V C 1.160 177.118 176.094 -0.228 0.000 1.019 453 V CA 0.385 62.594 62.300 -0.152 0.000 1.062 453 V CB 0.142 31.777 31.823 -0.315 0.000 0.979 453 V HN 0.652 nan 8.190 nan 0.000 0.477 454 I N 2.440 122.929 120.570 -0.135 0.000 4.323 454 I HA 0.508 4.693 4.170 0.024 0.000 0.328 454 I C 0.389 176.393 176.117 -0.188 0.000 1.310 454 I CA 0.433 61.664 61.300 -0.116 0.000 1.186 454 I CB 0.500 38.530 38.000 0.050 0.000 1.130 454 I HN 0.323 nan 8.210 nan 0.000 0.411 455 I N 0.288 120.727 120.570 -0.219 0.000 2.686 455 I HA 0.370 4.554 4.170 0.024 0.000 0.295 455 I C -1.523 174.498 176.117 -0.160 0.000 1.114 455 I CA -0.407 60.802 61.300 -0.151 0.000 1.038 455 I CB 2.128 40.130 38.000 0.003 0.000 1.238 455 I HN 0.018 nan 8.210 nan 0.000 0.420 456 W N 3.903 125.249 121.300 0.076 0.000 2.449 456 W HA 0.633 5.305 4.660 0.020 0.000 0.331 456 W C 0.367 176.946 176.519 0.100 0.000 1.119 456 W CA -0.616 56.780 57.345 0.085 0.000 1.240 456 W CB 1.606 31.112 29.460 0.076 0.000 1.251 456 W HN 0.298 nan 8.180 nan 0.000 0.576 457 S N 2.646 118.576 115.700 0.383 0.000 2.521 457 S HA 0.390 4.875 4.470 0.024 0.000 0.295 457 S C 0.261 175.015 174.600 0.256 0.000 1.098 457 S CA -0.713 57.653 58.200 0.278 0.000 0.999 457 S CB 0.817 64.137 63.200 0.199 0.000 1.034 457 S HN 0.585 nan 8.310 nan 0.000 0.483 458 L N 4.037 125.396 121.223 0.227 0.000 2.610 458 L HA 0.326 4.681 4.340 0.024 0.000 0.232 458 L C 1.439 178.349 176.870 0.067 0.000 1.149 458 L CA 0.580 55.473 54.840 0.088 0.000 0.872 458 L CB -1.133 40.865 42.059 -0.101 0.000 0.992 458 L HN 0.990 nan 8.230 nan 0.000 0.447 459 G N -0.058 108.862 108.800 0.201 0.000 2.250 459 G HA2 -0.110 3.864 3.960 0.024 0.000 0.252 459 G HA3 -0.110 3.864 3.960 0.024 0.000 0.252 459 G C -1.689 173.385 174.900 0.289 0.000 1.325 459 G CA -0.502 44.727 45.100 0.216 0.000 1.091 459 G HN 0.163 nan 8.290 nan 0.000 0.476 460 N N 0.099 118.923 118.700 0.206 0.000 2.484 460 N HA 0.460 5.214 4.740 0.024 0.000 0.269 460 N C -0.558 174.927 175.510 -0.042 0.000 1.237 460 N CA 0.072 53.115 53.050 -0.012 0.000 0.838 460 N CB 1.578 39.758 38.487 -0.511 0.000 1.593 460 N HN 0.876 nan 8.380 nan 0.000 0.485 461 E N 0.610 120.693 120.200 -0.196 0.000 2.024 461 E HA -0.178 4.186 4.350 0.024 0.000 0.163 461 E C -0.837 175.706 176.600 -0.095 0.000 1.490 461 E CA 0.820 57.039 56.400 -0.302 0.000 0.586 461 E CB -1.249 28.035 29.700 -0.693 0.000 1.041 461 E HN 0.425 nan 8.360 nan 0.000 0.296 462 S N 0.344 116.118 115.700 0.123 0.000 2.977 462 S HA 0.399 4.883 4.470 0.024 0.000 0.250 462 S C 0.695 175.471 174.600 0.294 0.000 1.005 462 S CA -0.274 58.050 58.200 0.208 0.000 1.081 462 S CB 1.361 64.743 63.200 0.303 0.000 1.018 462 S HN 0.863 nan 8.310 nan 0.000 0.539 463 G N 2.093 110.995 108.800 0.170 0.000 2.574 463 G HA2 -0.278 3.697 3.960 0.024 0.000 0.282 463 G HA3 -0.278 3.697 3.960 0.024 0.000 0.282 463 G C -0.430 174.688 174.900 0.364 0.000 1.257 463 G CA 0.149 45.352 45.100 0.171 0.000 0.956 463 G HN 0.680 nan 8.290 nan 0.000 0.560 464 H N 0.565 119.775 119.070 0.234 0.000 3.013 464 H HA 0.566 5.136 4.556 0.024 0.000 0.326 464 H C 0.251 175.746 175.328 0.277 0.000 0.973 464 H CA 0.042 56.282 56.048 0.320 0.000 1.369 464 H CB 0.671 30.540 29.762 0.178 0.000 1.598 464 H HN 1.088 nan 8.280 nan 0.000 0.518 465 G N 1.441 110.228 108.800 -0.021 0.000 2.714 465 G HA2 0.464 4.438 3.960 0.024 0.000 0.292 465 G HA3 0.464 4.438 3.960 0.024 0.000 0.292 465 G C 0.573 175.300 174.900 -0.288 0.000 1.308 465 G CA -0.156 44.801 45.100 -0.239 0.000 0.964 465 G HN 0.646 nan 8.290 nan 0.000 0.484 466 A N 0.239 122.948 122.820 -0.185 0.000 1.940 466 A HA -0.117 4.218 4.320 0.024 0.000 0.219 466 A C 2.186 179.737 177.584 -0.055 0.000 1.176 466 A CA 2.118 54.100 52.037 -0.092 0.000 0.631 466 A CB -0.587 18.384 19.000 -0.048 0.000 0.814 466 A HN 0.549 nan 8.150 nan 0.000 0.446 467 N N -0.094 118.537 118.700 -0.114 0.000 2.137 467 N HA -0.189 4.565 4.740 0.024 0.000 0.190 467 N C 1.368 176.820 175.510 -0.096 0.000 1.017 467 N CA 1.973 54.946 53.050 -0.127 0.000 0.859 467 N CB -0.745 37.629 38.487 -0.188 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.033 119.084 119.070 -0.031 0.000 2.389 468 H HA 0.018 4.588 4.556 0.023 0.000 0.299 468 H C 1.260 176.665 175.328 0.128 0.000 1.081 468 H CA 1.093 57.141 56.048 -0.001 0.000 1.345 468 H CB 0.125 29.866 29.762 -0.035 0.000 1.393 468 H HN 0.208 nan 8.280 nan 0.000 0.520 469 D N 0.594 121.146 120.400 0.253 0.000 2.117 469 D HA -0.102 4.552 4.640 0.024 0.000 0.198 469 D C 2.323 178.776 176.300 0.256 0.000 0.982 469 D CA 1.146 55.296 54.000 0.251 0.000 0.828 469 D CB -0.323 40.590 40.800 0.188 0.000 0.967 469 D HN 0.424 nan 8.370 nan 0.000 0.464 470 A N 0.916 123.835 122.820 0.165 0.000 1.902 470 A HA -0.112 4.223 4.320 0.024 0.000 0.217 470 A C 2.397 180.098 177.584 0.195 0.000 1.181 470 A CA 0.914 53.041 52.037 0.151 0.000 0.623 470 A CB -0.687 18.360 19.000 0.078 0.000 0.818 470 A HN 0.186 nan 8.150 nan 0.000 0.443 471 L N -2.195 119.133 121.223 0.175 0.000 2.179 471 L HA -0.111 4.244 4.340 0.024 0.000 0.208 471 L C 2.566 179.586 176.870 0.250 0.000 1.096 471 L CA 1.386 56.331 54.840 0.175 0.000 0.779 471 L CB -0.674 41.418 42.059 0.056 0.000 0.922 471 L HN 0.611 nan 8.230 nan 0.000 0.443 472 Y N 1.446 121.835 120.300 0.149 0.000 2.128 472 Y HA -0.334 4.225 4.550 0.016 0.000 0.284 472 Y C 2.795 178.779 175.900 0.140 0.000 1.154 472 Y CA 1.832 60.020 58.100 0.147 0.000 1.149 472 Y CB -0.193 38.355 38.460 0.147 0.000 0.976 472 Y HN -0.032 nan 8.280 nan 0.000 0.505 473 R N -0.177 120.432 120.500 0.183 0.000 2.096 473 R HA -0.195 4.160 4.340 0.024 0.000 0.235 473 R C 2.010 178.310 176.300 0.000 0.000 1.127 473 R CA 1.882 58.021 56.100 0.066 0.000 0.968 473 R CB -1.397 29.015 30.300 0.186 0.000 0.861 473 R HN 0.650 nan 8.270 nan 0.000 0.440 474 W N 0.578 121.833 121.300 -0.075 0.000 2.354 474 W HA -0.125 4.551 4.660 0.026 0.000 0.315 474 W C 1.621 178.046 176.519 -0.156 0.000 1.206 474 W CA 2.034 59.320 57.345 -0.097 0.000 1.290 474 W CB -0.289 29.118 29.460 -0.088 0.000 1.152 474 W HN 0.070 nan 8.180 nan 0.000 0.489 475 I N 0.843 121.374 120.570 -0.065 0.000 2.163 475 I HA -0.362 3.822 4.170 0.024 0.000 0.243 475 I C 2.449 178.353 176.117 -0.356 0.000 1.085 475 I CA 1.427 62.541 61.300 -0.310 0.000 1.347 475 I CB -0.891 37.018 38.000 -0.151 0.000 1.044 475 I HN -0.112 nan 8.210 nan 0.000 0.408 476 K N 0.469 120.682 120.400 -0.311 0.000 2.113 476 K HA -0.171 4.164 4.320 0.024 0.000 0.208 476 K C 2.301 178.761 176.600 -0.232 0.000 1.047 476 K CA 1.406 57.537 56.287 -0.260 0.000 0.928 476 K CB -0.573 31.738 32.500 -0.316 0.000 0.716 476 K HN 0.226 nan 8.250 nan 0.000 0.446 477 S N 0.694 116.216 115.700 -0.296 0.000 2.371 477 S HA -0.080 4.404 4.470 0.024 0.000 0.224 477 S C 1.955 176.342 174.600 -0.354 0.000 1.029 477 S CA 1.175 59.204 58.200 -0.285 0.000 0.978 477 S CB -0.016 62.997 63.200 -0.312 0.000 0.833 477 S HN 0.231 nan 8.310 nan 0.000 0.466 478 V N -0.906 118.664 119.914 -0.574 0.000 3.052 478 V HA 0.289 4.424 4.120 0.024 0.000 0.254 478 V C 0.220 176.079 176.094 -0.392 0.000 1.100 478 V CA 1.223 63.168 62.300 -0.591 0.000 1.112 478 V CB -0.135 31.091 31.823 -0.995 0.000 0.738 478 V HN 0.385 nan 8.190 nan 0.000 0.469 479 D N 0.281 120.504 120.400 -0.296 0.000 2.429 479 D HA 0.399 5.054 4.640 0.024 0.000 0.255 479 D C -2.215 174.074 176.300 -0.019 0.000 1.257 479 D CA -1.718 52.219 54.000 -0.104 0.000 0.890 479 D CB 1.605 42.444 40.800 0.065 0.000 1.267 479 D HN 0.154 nan 8.370 nan 0.000 0.521 480 P HA -0.078 nan 4.420 nan 0.000 0.230 480 P C 1.312 178.629 177.300 0.028 0.000 1.158 480 P CA 0.626 63.716 63.100 -0.016 0.000 0.769 480 P CB 0.124 31.809 31.700 -0.025 0.000 0.807 481 S N -1.090 114.635 115.700 0.042 0.000 2.447 481 S HA -0.056 4.429 4.470 0.024 0.000 0.233 481 S C 0.905 175.528 174.600 0.038 0.000 1.006 481 S CA 0.331 58.559 58.200 0.047 0.000 0.957 481 S CB -0.520 62.701 63.200 0.036 0.000 0.773 481 S HN 0.137 nan 8.310 nan 0.000 0.507 482 R N 0.996 121.530 120.500 0.057 0.000 2.686 482 R HA 0.597 4.952 4.340 0.024 0.000 0.283 482 R C -3.298 173.051 176.300 0.081 0.000 0.978 482 R CA -2.415 53.686 56.100 0.002 0.000 0.897 482 R CB 1.123 31.283 30.300 -0.232 0.000 1.192 482 R HN 0.109 nan 8.270 nan 0.000 0.457 483 P HA 0.121 nan 4.420 nan 0.000 0.274 483 P C -0.805 176.592 177.300 0.161 0.000 1.231 483 P CA -0.409 62.749 63.100 0.096 0.000 0.790 483 P CB 0.773 32.515 31.700 0.069 0.000 0.951 484 V N 3.159 123.195 119.914 0.202 0.000 2.459 484 V HA 0.392 4.527 4.120 0.024 0.000 0.295 484 V C 0.270 176.535 176.094 0.286 0.000 1.029 484 V CA -0.297 62.168 62.300 0.275 0.000 0.874 484 V CB 1.218 33.179 31.823 0.230 0.000 0.985 484 V HN 0.602 nan 8.190 nan 0.000 0.438 485 Q N 3.705 123.655 119.800 0.251 0.000 2.458 485 Q HA 0.806 5.161 4.340 0.024 0.000 0.282 485 Q C -1.786 174.370 176.000 0.261 0.000 1.106 485 Q CA -0.969 54.954 55.803 0.201 0.000 0.814 485 Q CB 2.958 31.759 28.738 0.104 0.000 1.425 485 Q HN 0.621 nan 8.270 nan 0.000 0.437 486 Y N 0.025 120.332 120.300 0.010 0.000 2.314 486 Y HA 0.122 4.686 4.550 0.022 0.000 0.317 486 Y C -0.478 175.360 175.900 -0.103 0.000 1.234 486 Y CA -0.680 57.390 58.100 -0.050 0.000 1.111 486 Y CB 1.922 40.340 38.460 -0.070 0.000 1.283 486 Y HN 0.953 nan 8.280 nan 0.000 0.418 487 E N 3.486 123.266 120.200 -0.700 0.000 2.318 487 E HA 0.118 4.482 4.350 0.024 0.000 0.193 487 E C 0.678 176.840 176.600 -0.730 0.000 0.998 487 E CA 0.751 56.803 56.400 -0.580 0.000 0.859 487 E CB 0.241 29.714 29.700 -0.377 0.000 0.812 487 E HN 0.883 nan 8.360 nan 0.000 0.492 488 G N -0.123 107.835 108.800 -1.403 0.000 2.474 488 G HA2 0.229 4.203 3.960 0.024 0.000 0.233 488 G HA3 0.229 4.203 3.960 0.024 0.000 0.233 488 G C 0.807 175.539 174.900 -0.281 0.000 1.278 488 G CA 0.292 44.948 45.100 -0.739 0.000 0.861 488 G HN 0.348 nan 8.290 nan 0.000 0.567 489 G N -0.346 108.410 108.800 -0.074 0.000 2.160 489 G HA2 0.229 4.204 3.960 0.024 0.000 0.251 489 G HA3 0.229 4.204 3.960 0.024 0.000 0.251 489 G C 1.240 176.139 174.900 -0.003 0.000 1.008 489 G CA 0.984 46.109 45.100 0.041 0.000 0.724 489 G HN 2.615 nan 8.290 nan 0.000 0.514 490 G N -1.600 107.186 108.800 -0.023 0.000 2.205 490 G HA2 0.443 4.418 3.960 0.024 0.000 0.180 490 G HA3 0.443 4.418 3.960 0.024 0.000 0.180 490 G C 1.053 176.052 174.900 0.166 0.000 1.004 490 G CA 1.301 46.451 45.100 0.082 0.000 0.670 490 G HN 2.324 nan 8.290 nan 0.000 0.496 491 A N -0.155 122.645 122.820 -0.033 0.000 3.721 491 A HA -0.135 4.199 4.320 0.024 0.000 0.270 491 A C 1.114 178.611 177.584 -0.145 0.000 1.036 491 A CA 2.716 54.672 52.037 -0.135 0.000 1.102 491 A CB -1.740 17.136 19.000 -0.206 0.000 1.100 491 A HN 2.139 nan 8.150 nan 0.000 0.887 492 D N -1.056 119.346 120.400 0.003 0.000 2.785 492 D HA 0.311 4.966 4.640 0.024 0.000 0.324 492 D C 0.348 176.634 176.300 -0.023 0.000 1.523 492 D CA 0.857 54.861 54.000 0.007 0.000 0.789 492 D CB -1.191 39.731 40.800 0.202 0.000 1.171 492 D HN 0.860 nan 8.370 nan 0.000 0.447 493 T N -2.213 112.260 114.554 -0.134 0.000 2.667 493 T HA 0.177 4.542 4.350 0.024 0.000 0.305 493 T C 1.545 176.106 174.700 -0.232 0.000 1.022 493 T CA 0.544 62.490 62.100 -0.256 0.000 0.995 493 T CB 0.774 69.259 68.868 -0.638 0.000 1.026 493 T HN 0.097 nan 8.240 nan 0.000 0.527 494 T N -2.457 111.951 114.554 -0.243 0.000 3.160 494 T HA 0.280 4.645 4.350 0.024 0.000 0.257 494 T C 1.398 175.840 174.700 -0.429 0.000 1.147 494 T CA 0.158 62.127 62.100 -0.219 0.000 1.064 494 T CB -0.433 68.379 68.868 -0.093 0.000 0.949 494 T HN 0.837 nan 8.240 nan 0.000 0.526 495 A N 0.547 123.143 122.820 -0.374 0.000 2.507 495 A HA 0.537 4.872 4.320 0.024 0.000 0.270 495 A C 0.703 178.146 177.584 -0.235 0.000 1.318 495 A CA -0.405 51.379 52.037 -0.423 0.000 0.924 495 A CB 0.033 19.075 19.000 0.069 0.000 1.061 495 A HN 0.401 nan 8.150 nan 0.000 0.516 496 T N -1.294 113.119 114.554 -0.235 0.000 3.032 496 T HA 0.346 4.710 4.350 0.024 0.000 0.312 496 T C -0.660 174.073 174.700 0.055 0.000 1.078 496 T CA -0.439 61.677 62.100 0.026 0.000 1.028 496 T CB 1.194 70.058 68.868 -0.006 0.000 1.091 496 T HN 0.107 nan 8.240 nan 0.000 0.457 497 D N 2.866 123.371 120.400 0.174 0.000 2.348 497 D HA 0.248 4.903 4.640 0.024 0.000 0.211 497 D C 0.402 176.734 176.300 0.053 0.000 0.998 497 D CA 0.704 54.787 54.000 0.137 0.000 0.873 497 D CB 0.444 41.349 40.800 0.176 0.000 0.925 497 D HN 0.546 nan 8.370 nan 0.000 0.524 498 I N 1.095 121.680 120.570 0.024 0.000 2.498 498 I HA 0.255 4.440 4.170 0.024 0.000 0.290 498 I C -0.094 175.955 176.117 -0.113 0.000 1.032 498 I CA -0.856 60.422 61.300 -0.038 0.000 1.073 498 I CB 2.726 40.714 38.000 -0.020 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.426 499 I N 6.008 126.464 120.570 -0.190 0.000 2.494 499 I HA 0.027 4.212 4.170 0.024 0.000 0.289 499 I C 0.154 176.056 176.117 -0.357 0.000 1.106 499 I CA 0.091 61.175 61.300 -0.359 0.000 1.369 499 I CB 0.073 37.769 38.000 -0.508 0.000 1.410 499 I HN 0.702 nan 8.210 nan 0.000 0.523 500 C N 5.705 124.813 119.300 -0.321 0.000 3.401 500 C HA 0.472 4.947 4.460 0.024 0.000 0.204 500 C C -2.181 172.670 174.990 -0.232 0.000 1.522 500 C CA -2.314 56.566 59.018 -0.229 0.000 1.409 500 C CB -0.867 26.795 27.740 -0.129 0.000 1.967 500 C HN 0.399 nan 8.230 nan 0.000 0.496 501 P HA 0.314 nan 4.420 nan 0.000 0.272 501 P C -0.417 176.829 177.300 -0.089 0.000 1.240 501 P CA 0.243 63.244 63.100 -0.166 0.000 0.791 501 P CB 0.766 32.395 31.700 -0.120 0.000 0.978 502 M N 0.408 119.985 119.600 -0.039 0.000 2.167 502 M HA 0.435 4.930 4.480 0.024 0.000 0.333 502 M C -0.751 175.534 176.300 -0.026 0.000 1.030 502 M CA -0.616 54.561 55.300 -0.205 0.000 0.963 502 M CB 1.129 33.603 32.600 -0.209 0.000 1.589 502 M HN 0.351 nan 8.290 nan 0.000 0.431 503 Y N -0.246 120.221 120.300 0.279 0.000 4.798 503 Y HA -0.234 4.331 4.550 0.025 0.000 0.237 503 Y C 0.580 176.661 175.900 0.302 0.000 1.017 503 Y CA 0.450 58.721 58.100 0.285 0.000 2.010 503 Y CB -2.374 36.212 38.460 0.209 0.000 1.582 503 Y HN 0.985 nan 8.280 nan 0.000 0.621 504 A N 1.386 124.433 122.820 0.377 0.000 2.511 504 A HA 0.492 4.827 4.320 0.024 0.000 0.242 504 A C 0.767 178.580 177.584 0.381 0.000 1.069 504 A CA -0.286 51.981 52.037 0.383 0.000 0.763 504 A CB 0.300 19.570 19.000 0.451 0.000 1.001 504 A HN 0.416 nan 8.150 nan 0.000 0.498 505 R N 1.504 122.159 120.500 0.258 0.000 2.543 505 R HA 0.328 4.682 4.340 0.024 0.000 0.268 505 R C 1.085 177.362 176.300 -0.038 0.000 1.067 505 R CA -0.683 55.495 56.100 0.130 0.000 1.142 505 R CB 0.693 31.041 30.300 0.080 0.000 1.110 505 R HN 0.499 nan 8.270 nan 0.000 0.549 506 V N 0.783 120.511 119.914 -0.310 0.000 2.270 506 V HA -0.220 3.915 4.120 0.024 0.000 0.245 506 V C 0.963 176.945 176.094 -0.187 0.000 1.043 506 V CA 1.883 63.962 62.300 -0.367 0.000 1.014 506 V CB -0.250 31.225 31.823 -0.580 0.000 0.645 506 V HN 0.767 nan 8.190 nan 0.000 0.447 507 D N -1.335 118.986 120.400 -0.131 0.000 2.454 507 D HA 0.094 4.748 4.640 0.024 0.000 0.214 507 D C 0.892 177.178 176.300 -0.022 0.000 1.088 507 D CA 0.042 54.000 54.000 -0.070 0.000 0.855 507 D CB 0.670 41.433 40.800 -0.061 0.000 1.025 507 D HN 0.537 nan 8.370 nan 0.000 0.502 508 E N 2.106 122.298 120.200 -0.013 0.000 2.167 508 E HA 0.105 4.469 4.350 0.024 0.000 0.284 508 E C -0.801 175.809 176.600 0.016 0.000 1.016 508 E CA -0.592 55.810 56.400 0.005 0.000 0.817 508 E CB 0.896 30.599 29.700 0.006 0.000 1.080 508 E HN -0.199 nan 8.360 nan 0.000 0.397 509 D N 4.008 124.420 120.400 0.020 0.000 2.304 509 D HA 0.105 4.760 4.640 0.024 0.000 0.247 509 D C -0.499 175.709 176.300 -0.153 0.000 1.089 509 D CA 0.194 54.204 54.000 0.018 0.000 0.910 509 D CB 1.247 42.148 40.800 0.167 0.000 1.199 509 D HN 0.473 nan 8.370 nan 0.000 0.426 510 Q N 1.442 121.021 119.800 -0.368 0.000 2.932 510 Q HA 0.228 4.582 4.340 0.024 0.000 0.248 510 Q C -2.204 173.129 176.000 -1.111 0.000 0.982 510 Q CA -1.482 53.878 55.803 -0.738 0.000 0.730 510 Q CB 2.136 30.422 28.738 -0.753 0.000 1.249 510 Q HN 0.171 nan 8.270 nan 0.000 0.476 511 P HA -0.016 nan 4.420 nan 0.000 0.228 511 P C -0.596 176.397 177.300 -0.512 0.000 1.748 511 P CA -0.132 62.531 63.100 -0.727 0.000 0.909 511 P CB -0.663 30.835 31.700 -0.337 0.000 1.882 512 F N 1.884 121.670 119.950 -0.274 0.000 2.629 512 F HA 0.044 4.585 4.527 0.023 0.000 0.369 512 F C -1.129 174.566 175.800 -0.176 0.000 1.125 512 F CA -1.829 56.064 58.000 -0.179 0.000 1.330 512 F CB -0.714 38.193 39.000 -0.154 0.000 1.071 512 F HN 0.098 nan 8.300 nan 0.000 0.595 513 P HA 0.199 nan 4.420 nan 0.000 0.275 513 P C 0.292 177.609 177.300 0.029 0.000 1.228 513 P CA 0.698 63.814 63.100 0.026 0.000 0.786 513 P CB 1.402 33.117 31.700 0.024 0.000 0.927 514 A N 2.269 125.098 122.820 0.015 0.000 3.275 514 A HA -0.240 4.095 4.320 0.024 0.000 0.241 514 A C 0.723 178.316 177.584 0.016 0.000 0.607 514 A CA 2.075 54.125 52.037 0.021 0.000 1.181 514 A CB -2.736 16.277 19.000 0.022 0.000 1.304 514 A HN 0.727 nan 8.150 nan 0.000 0.682 515 V N -3.008 116.911 119.914 0.008 0.000 2.468 515 V HA 0.567 4.701 4.120 0.024 0.000 0.256 515 V C -2.213 173.871 176.094 -0.017 0.000 0.998 515 V CA -1.282 61.021 62.300 0.005 0.000 1.114 515 V CB 0.586 32.416 31.823 0.011 0.000 1.378 515 V HN 0.502 nan 8.190 nan 0.000 0.573 516 P HA 0.228 nan 4.420 nan 0.000 0.270 516 P C -0.602 176.274 177.300 -0.707 0.000 1.223 516 P CA 0.164 62.882 63.100 -0.637 0.000 0.785 516 P CB 0.974 31.811 31.700 -1.439 0.000 0.923 517 K N 1.983 121.997 120.400 -0.643 0.000 2.478 517 K HA 0.212 4.546 4.320 0.024 0.000 0.236 517 K C -0.505 175.790 176.600 -0.507 0.000 1.021 517 K CA -0.243 55.862 56.287 -0.304 0.000 1.010 517 K CB 0.382 32.993 32.500 0.185 0.000 1.331 517 K HN 0.480 nan 8.250 nan 0.000 0.470 518 W N 1.215 122.208 121.300 -0.512 0.000 2.129 518 W HA 0.098 4.772 4.660 0.023 0.000 0.349 518 W C 1.269 177.795 176.519 0.013 0.000 1.279 518 W CA -0.695 56.456 57.345 -0.323 0.000 1.306 518 W CB 0.522 29.624 29.460 -0.595 0.000 1.140 518 W HN 0.366 nan 8.180 nan 0.000 0.613 519 S N 2.885 118.749 115.700 0.272 0.000 2.573 519 S HA -0.105 4.379 4.470 0.024 0.000 0.297 519 S C 1.163 175.910 174.600 0.244 0.000 1.280 519 S CA -0.041 58.261 58.200 0.170 0.000 1.061 519 S CB 0.135 63.378 63.200 0.072 0.000 0.812 519 S HN 0.528 nan 8.310 nan 0.000 0.500 520 I N 1.932 122.611 120.570 0.182 0.000 2.264 520 I HA -0.182 4.002 4.170 0.024 0.000 0.248 520 I C 2.021 178.170 176.117 0.054 0.000 1.111 520 I CA 1.409 62.816 61.300 0.179 0.000 1.382 520 I CB -0.488 37.563 38.000 0.086 0.000 1.060 520 I HN 0.606 nan 8.210 nan 0.000 0.418 521 K N 1.429 121.759 120.400 -0.116 0.000 2.148 521 K HA -0.145 4.190 4.320 0.024 0.000 0.204 521 K C 2.280 178.879 176.600 -0.001 0.000 1.050 521 K CA 1.531 57.670 56.287 -0.245 0.000 0.942 521 K CB -0.206 32.079 32.500 -0.358 0.000 0.724 521 K HN 0.404 nan 8.250 nan 0.000 0.446 522 K N 0.138 120.560 120.400 0.036 0.000 2.076 522 K HA -0.150 4.185 4.320 0.024 0.000 0.204 522 K C 1.846 178.475 176.600 0.049 0.000 1.051 522 K CA 0.755 57.048 56.287 0.011 0.000 0.949 522 K CB -0.079 32.394 32.500 -0.045 0.000 0.726 522 K HN 0.199 nan 8.250 nan 0.000 0.443 523 W N 2.268 123.559 121.300 -0.015 0.000 2.304 523 W HA -0.227 4.445 4.660 0.021 0.000 0.315 523 W C 1.694 178.201 176.519 -0.020 0.000 1.233 523 W CA 1.301 58.653 57.345 0.010 0.000 1.261 523 W CB -0.697 28.844 29.460 0.135 0.000 1.150 523 W HN 0.101 nan 8.180 nan 0.000 0.494 524 L N 0.683 122.069 121.223 0.272 0.000 2.079 524 L HA -0.240 4.115 4.340 0.024 0.000 0.210 524 L C 2.223 179.163 176.870 0.117 0.000 1.081 524 L CA 1.982 56.916 54.840 0.157 0.000 0.752 524 L CB -1.056 41.080 42.059 0.127 0.000 0.896 524 L HN -0.002 nan 8.230 nan 0.000 0.433 525 S N -1.364 114.388 115.700 0.087 0.000 2.582 525 S HA 0.264 4.748 4.470 0.024 0.000 0.234 525 S C 0.509 175.103 174.600 -0.012 0.000 0.961 525 S CA -0.564 57.659 58.200 0.039 0.000 0.953 525 S CB -0.431 62.790 63.200 0.036 0.000 0.800 525 S HN 0.147 nan 8.310 nan 0.000 0.471 526 L N 2.219 123.424 121.223 -0.030 0.000 2.506 526 L HA 0.223 4.577 4.340 0.024 0.000 0.281 526 L C -2.091 174.750 176.870 -0.047 0.000 1.228 526 L CA -1.677 53.099 54.840 -0.107 0.000 0.850 526 L CB -0.264 41.711 42.059 -0.139 0.000 1.110 526 L HN 0.068 nan 8.230 nan 0.000 0.496 527 P HA -0.087 nan 4.420 nan 0.000 0.259 527 P C 0.804 178.100 177.300 -0.006 0.000 1.163 527 P CA 1.181 64.261 63.100 -0.034 0.000 0.760 527 P CB 0.366 32.041 31.700 -0.042 0.000 0.762 528 G N 1.749 110.551 108.800 0.004 0.000 2.212 528 G HA2 -0.308 3.667 3.960 0.024 0.000 0.266 528 G HA3 -0.308 3.667 3.960 0.024 0.000 0.266 528 G C 0.309 175.227 174.900 0.030 0.000 0.978 528 G CA 0.307 45.417 45.100 0.016 0.000 0.632 528 G HN 0.631 nan 8.290 nan 0.000 0.537 529 E N 1.009 121.233 120.200 0.041 0.000 2.344 529 E HA 0.536 4.900 4.350 0.024 0.000 0.270 529 E C 1.419 178.046 176.600 0.045 0.000 1.021 529 E CA 0.896 57.333 56.400 0.061 0.000 0.887 529 E CB 0.670 30.437 29.700 0.112 0.000 0.997 529 E HN 0.605 nan 8.360 nan 0.000 0.429 530 T N 0.532 115.108 114.554 0.038 0.000 3.131 530 T HA 0.293 4.658 4.350 0.024 0.000 0.283 530 T C 0.560 175.270 174.700 0.017 0.000 0.906 530 T CA -0.471 61.645 62.100 0.027 0.000 0.882 530 T CB 0.067 68.949 68.868 0.024 0.000 1.208 530 T HN 0.260 nan 8.240 nan 0.000 0.561 531 R N 2.401 122.908 120.500 0.011 0.000 2.774 531 R HA 0.428 4.782 4.340 0.024 0.000 0.269 531 R C -2.433 173.850 176.300 -0.029 0.000 1.068 531 R CA -1.592 54.503 56.100 -0.009 0.000 1.180 531 R CB 0.012 30.297 30.300 -0.025 0.000 1.077 531 R HN 0.271 nan 8.270 nan 0.000 0.513 532 P HA 0.124 nan 4.420 nan 0.000 0.276 532 P C -1.083 176.152 177.300 -0.108 0.000 1.252 532 P CA -0.177 62.885 63.100 -0.063 0.000 0.802 532 P CB 0.740 32.403 31.700 -0.063 0.000 1.035 533 L N 1.752 122.892 121.223 -0.140 0.000 2.406 533 L HA 0.581 4.936 4.340 0.024 0.000 0.272 533 L C -1.172 175.561 176.870 -0.229 0.000 0.980 533 L CA -0.667 54.054 54.840 -0.200 0.000 0.831 533 L CB 0.827 42.760 42.059 -0.210 0.000 1.253 533 L HN 0.227 nan 8.230 nan 0.000 0.406 534 I N 5.519 125.961 120.570 -0.215 0.000 2.500 534 I HA 0.276 4.461 4.170 0.024 0.000 0.286 534 I C -0.692 175.336 176.117 -0.150 0.000 1.063 534 I CA -0.513 60.645 61.300 -0.236 0.000 1.062 534 I CB 2.048 39.968 38.000 -0.133 0.000 1.223 534 I HN 0.480 nan 8.210 nan 0.000 0.435 535 L N 5.567 126.671 121.223 -0.199 0.000 2.513 535 L HA 0.004 4.359 4.340 0.024 0.000 0.272 535 L C 1.495 178.433 176.870 0.113 0.000 1.187 535 L CA -0.170 54.620 54.840 -0.083 0.000 0.895 535 L CB 0.496 42.477 42.059 -0.130 0.000 1.147 535 L HN 0.874 nan 8.230 nan 0.000 0.483 536 C N 0.246 119.580 119.300 0.056 0.000 2.468 536 C HA 0.155 4.630 4.460 0.024 0.000 0.277 536 C C 0.613 175.717 174.990 0.190 0.000 1.400 536 C CA -0.243 58.844 59.018 0.116 0.000 1.770 536 C CB -1.202 26.531 27.740 -0.011 0.000 1.905 536 C HN 0.843 nan 8.230 nan 0.000 0.519 537 E N -0.852 119.391 120.200 0.073 0.000 2.335 537 E HA 0.626 4.991 4.350 0.024 0.000 0.280 537 E C -1.238 175.275 176.600 -0.145 0.000 0.918 537 E CA -0.419 55.990 56.400 0.016 0.000 0.765 537 E CB 1.864 31.407 29.700 -0.260 0.000 1.218 537 E HN 0.649 nan 8.360 nan 0.000 0.425 538 Y N -1.005 119.259 120.300 -0.060 0.000 2.713 538 Y HA 0.625 5.190 4.550 0.026 0.000 0.335 538 Y C -0.728 175.350 175.900 0.296 0.000 1.222 538 Y CA -0.954 57.150 58.100 0.006 0.000 1.061 538 Y CB 0.822 39.143 38.460 -0.231 0.000 1.314 538 Y HN 0.691 nan 8.280 nan 0.000 0.453 539 A N 2.104 125.009 122.820 0.141 0.000 2.203 539 A HA -0.286 4.049 4.320 0.024 0.000 0.279 539 A C -0.165 177.522 177.584 0.172 0.000 1.396 539 A CA 1.205 53.302 52.037 0.100 0.000 0.747 539 A CB -2.380 16.572 19.000 -0.080 0.000 1.151 539 A HN 1.088 nan 8.150 nan 0.000 0.345 540 H N 0.832 120.053 119.070 0.251 0.000 3.276 540 H HA 0.212 4.782 4.556 0.024 0.000 0.247 540 H C 1.175 176.553 175.328 0.084 0.000 0.991 540 H CA 0.785 56.984 56.048 0.252 0.000 1.431 540 H CB 0.277 30.064 29.762 0.041 0.000 1.548 540 H HN 0.758 nan 8.280 nan 0.000 0.513 541 A N 6.499 129.176 122.820 -0.238 0.000 2.416 541 A HA 0.037 4.371 4.320 0.024 0.000 0.252 541 A C 1.022 178.431 177.584 -0.291 0.000 1.353 541 A CA -0.369 51.519 52.037 -0.249 0.000 0.996 541 A CB -0.594 18.253 19.000 -0.255 0.000 0.961 541 A HN 0.802 nan 8.150 nan 0.000 0.523 542 M N 1.359 120.754 119.600 -0.342 0.000 2.292 542 M HA 0.404 4.898 4.480 0.024 0.000 0.342 542 M C 1.092 177.255 176.300 -0.230 0.000 1.538 542 M CA 1.235 56.384 55.300 -0.253 0.000 1.163 542 M CB -0.299 32.226 32.600 -0.125 0.000 1.823 542 M HN 0.772 nan 8.290 nan 0.000 0.462 543 G N 4.475 113.118 108.800 -0.262 0.000 2.582 543 G HA2 -0.358 3.617 3.960 0.024 0.000 0.288 543 G HA3 -0.358 3.617 3.960 0.024 0.000 0.288 543 G C -0.062 174.320 174.900 -0.864 0.000 1.247 543 G CA 0.152 44.894 45.100 -0.597 0.000 0.972 543 G HN 0.856 nan 8.290 nan 0.000 0.557 544 N N 1.283 119.297 118.700 -1.144 0.000 2.605 544 N HA 0.413 5.168 4.740 0.024 0.000 0.282 544 N C 0.101 175.346 175.510 -0.442 0.000 1.206 544 N CA 1.142 53.704 53.050 -0.814 0.000 1.074 544 N CB 0.005 38.057 38.487 -0.725 0.000 1.434 544 N HN 0.755 nan 8.380 nan 0.000 0.506 545 S N 1.502 117.020 115.700 -0.302 0.000 2.900 545 S HA 0.654 5.139 4.470 0.024 0.000 0.320 545 S C 0.138 174.657 174.600 -0.136 0.000 1.130 545 S CA -0.383 57.701 58.200 -0.193 0.000 0.863 545 S CB 0.346 63.454 63.200 -0.153 0.000 1.295 545 S HN 0.336 nan 8.310 nan 0.000 0.596 546 L N -0.047 121.134 121.223 -0.070 0.000 4.696 546 L HA -0.047 4.307 4.340 0.024 0.000 0.398 546 L C 0.521 177.425 176.870 0.057 0.000 0.971 546 L CA 0.847 55.671 54.840 -0.026 0.000 1.427 546 L CB -1.766 40.187 42.059 -0.178 0.000 1.965 546 L HN 0.718 nan 8.230 nan 0.000 0.593 547 G N -0.765 108.037 108.800 0.003 0.000 2.365 547 G HA2 0.480 4.455 3.960 0.024 0.000 0.249 547 G HA3 0.480 4.455 3.960 0.024 0.000 0.249 547 G C 1.222 176.170 174.900 0.081 0.000 1.288 547 G CA 0.244 45.326 45.100 -0.030 0.000 0.887 547 G HN 1.358 nan 8.290 nan 0.000 0.524 548 G N 1.658 110.518 108.800 0.100 0.000 2.157 548 G HA2 -0.309 3.665 3.960 0.024 0.000 0.248 548 G HA3 -0.309 3.665 3.960 0.024 0.000 0.248 548 G C 0.973 176.089 174.900 0.360 0.000 0.979 548 G CA 0.708 45.930 45.100 0.203 0.000 0.650 548 G HN 0.781 nan 8.290 nan 0.000 0.529 549 F N 1.822 121.904 119.950 0.219 0.000 2.126 549 F HA 0.157 4.699 4.527 0.025 0.000 0.299 549 F C 2.649 178.683 175.800 0.389 0.000 1.096 549 F CA 2.401 60.602 58.000 0.335 0.000 1.255 549 F CB -0.460 38.669 39.000 0.214 0.000 0.997 549 F HN 0.346 nan 8.300 nan 0.000 0.479 550 A N -0.240 122.765 122.820 0.307 0.000 1.978 550 A HA -0.256 4.078 4.320 0.024 0.000 0.220 550 A C 2.306 179.924 177.584 0.058 0.000 1.170 550 A CA 1.833 53.972 52.037 0.169 0.000 0.636 550 A CB -0.827 18.274 19.000 0.168 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.701 118.724 120.400 0.042 0.000 2.103 551 K HA -0.188 4.147 4.320 0.024 0.000 0.207 551 K C 1.703 178.100 176.600 -0.339 0.000 1.048 551 K CA 1.719 57.941 56.287 -0.108 0.000 0.930 551 K CB -0.303 32.136 32.500 -0.102 0.000 0.716 551 K HN 0.605 nan 8.250 nan 0.000 0.444 552 Y N -1.097 118.955 120.300 -0.413 0.000 2.200 552 Y HA -0.211 4.353 4.550 0.023 0.000 0.290 552 Y C 1.898 176.852 175.900 -1.578 0.000 1.137 552 Y CA 1.378 58.869 58.100 -1.015 0.000 1.163 552 Y CB -0.266 37.544 38.460 -1.084 0.000 0.988 552 Y HN 0.169 nan 8.280 nan 0.000 0.518 553 W N 0.054 120.929 121.300 -0.708 0.000 2.363 553 W HA -0.200 4.476 4.660 0.026 0.000 0.296 553 W C 2.626 178.944 176.519 -0.336 0.000 1.212 553 W CA 1.496 58.527 57.345 -0.523 0.000 1.260 553 W CB -0.507 28.733 29.460 -0.367 0.000 1.131 553 W HN 0.038 nan 8.180 nan 0.000 0.530 554 Q N 0.868 120.576 119.800 -0.153 0.000 2.050 554 Q HA -0.163 4.191 4.340 0.024 0.000 0.202 554 Q C 2.210 178.133 176.000 -0.129 0.000 0.980 554 Q CA 2.113 57.861 55.803 -0.092 0.000 0.840 554 Q CB -0.683 28.015 28.738 -0.066 0.000 0.898 554 Q HN 0.256 nan 8.270 nan 0.000 0.424 555 A N 0.024 122.673 122.820 -0.285 0.000 1.898 555 A HA -0.111 4.224 4.320 0.024 0.000 0.216 555 A C 2.066 179.568 177.584 -0.137 0.000 1.181 555 A CA 1.162 53.045 52.037 -0.257 0.000 0.620 555 A CB -1.068 17.660 19.000 -0.454 0.000 0.819 555 A HN 0.472 nan 8.150 nan 0.000 0.442 556 F N -0.514 119.250 119.950 -0.309 0.000 2.171 556 F HA -0.186 4.356 4.527 0.025 0.000 0.300 556 F C 2.743 178.438 175.800 -0.175 0.000 1.090 556 F CA 1.076 58.866 58.000 -0.349 0.000 1.293 556 F CB -0.160 38.424 39.000 -0.693 0.000 1.013 556 F HN 0.141 nan 8.300 nan 0.000 0.486 557 R N 0.072 120.611 120.500 0.066 0.000 2.090 557 R HA -0.164 4.190 4.340 0.024 0.000 0.228 557 R C 2.185 178.521 176.300 0.059 0.000 1.110 557 R CA 1.171 57.304 56.100 0.056 0.000 0.973 557 R CB -0.397 29.930 30.300 0.044 0.000 0.869 557 R HN 0.355 nan 8.270 nan 0.000 0.440 558 Q N -0.398 119.463 119.800 0.101 0.000 2.172 558 Q HA -0.086 4.269 4.340 0.024 0.000 0.200 558 Q C -0.473 175.606 176.000 0.131 0.000 0.964 558 Q CA 1.055 56.932 55.803 0.125 0.000 0.855 558 Q CB 0.363 29.205 28.738 0.172 0.000 0.918 558 Q HN 0.187 nan 8.270 nan 0.000 0.444 559 Y N -0.091 120.188 120.300 -0.034 0.000 2.334 559 Y HA 0.262 4.826 4.550 0.023 0.000 0.336 559 Y C -1.770 174.105 175.900 -0.041 0.000 0.960 559 Y CA -2.928 55.153 58.100 -0.032 0.000 1.164 559 Y CB 1.458 39.903 38.460 -0.025 0.000 1.155 559 Y HN 0.101 nan 8.280 nan 0.000 0.478 560 P HA -0.223 nan 4.420 nan 0.000 0.215 560 P C 1.001 178.309 177.300 0.014 0.000 1.163 560 P CA 2.020 65.129 63.100 0.015 0.000 0.894 560 P CB 0.306 31.997 31.700 -0.016 0.000 0.791 561 R N -1.167 119.361 120.500 0.047 0.000 2.285 561 R HA 0.048 4.402 4.340 0.024 0.000 0.213 561 R C 0.607 176.892 176.300 -0.026 0.000 1.068 561 R CA 0.275 56.383 56.100 0.014 0.000 1.004 561 R CB -0.631 29.681 30.300 0.020 0.000 0.873 561 R HN 0.255 nan 8.270 nan 0.000 0.467 562 L N 1.989 123.212 121.223 -0.000 0.000 2.268 562 L HA 0.137 4.492 4.340 0.024 0.000 0.289 562 L C 0.498 177.237 176.870 -0.218 0.000 1.064 562 L CA 0.098 54.889 54.840 -0.081 0.000 0.824 562 L CB 1.220 43.296 42.059 0.028 0.000 1.202 562 L HN 0.121 nan 8.230 nan 0.000 0.433 563 Q N 2.912 122.498 119.800 -0.357 0.000 2.189 563 Q HA 0.318 4.672 4.340 0.024 0.000 0.221 563 Q C 0.851 176.430 176.000 -0.703 0.000 0.848 563 Q CA 0.119 55.672 55.803 -0.417 0.000 1.007 563 Q CB 1.169 29.757 28.738 -0.251 0.000 1.116 563 Q HN 0.972 nan 8.270 nan 0.000 0.481 564 G N -0.014 107.963 108.800 -1.372 0.000 2.464 564 G HA2 0.067 4.041 3.960 0.024 0.000 0.216 564 G HA3 0.067 4.041 3.960 0.024 0.000 0.216 564 G C -0.144 173.909 174.900 -1.412 0.000 1.186 564 G CA -0.667 43.202 45.100 -2.052 0.000 1.010 564 G HN 0.672 nan 8.290 nan 0.000 0.585 565 G N -2.312 105.952 108.800 -0.893 0.000 2.315 565 G HA2 0.608 4.582 3.960 0.024 0.000 0.294 565 G HA3 0.608 4.582 3.960 0.024 0.000 0.294 565 G C -1.676 173.110 174.900 -0.191 0.000 1.300 565 G CA -0.131 44.693 45.100 -0.460 0.000 0.843 565 G HN 1.205 nan 8.290 nan 0.000 0.527 566 F N 0.750 120.901 119.950 0.335 0.000 2.361 566 F HA 0.548 5.088 4.527 0.023 0.000 0.364 566 F C 0.872 176.956 175.800 0.473 0.000 1.117 566 F CA -0.773 57.463 58.000 0.394 0.000 1.071 566 F CB 1.822 40.962 39.000 0.233 0.000 1.188 566 F HN 0.239 nan 8.300 nan 0.000 0.464 567 V N 3.329 123.535 119.914 0.487 0.000 2.843 567 V HA -0.103 4.031 4.120 0.024 0.000 0.305 567 V C -0.288 175.954 176.094 0.247 0.000 1.065 567 V CA -0.325 62.057 62.300 0.137 0.000 1.116 567 V CB 0.889 32.783 31.823 0.118 0.000 0.968 567 V HN 0.765 nan 8.190 nan 0.000 0.487 568 W N 6.271 127.637 121.300 0.109 0.000 2.296 568 W HA 0.461 5.135 4.660 0.024 0.000 0.316 568 W C -0.898 175.607 176.519 -0.023 0.000 1.022 568 W CA -0.715 56.725 57.345 0.158 0.000 1.324 568 W CB 1.362 31.073 29.460 0.418 0.000 1.227 568 W HN 0.908 nan 8.180 nan 0.000 0.409 569 D N 2.600 122.668 120.400 -0.553 0.000 2.744 569 D HA 0.120 4.774 4.640 0.024 0.000 0.304 569 D C 0.693 176.721 176.300 -0.453 0.000 1.179 569 D CA -0.584 52.940 54.000 -0.795 0.000 1.024 569 D CB 0.266 39.961 40.800 -1.842 0.000 1.453 569 D HN 0.393 nan 8.370 nan 0.000 0.529 570 W N 0.621 121.570 121.300 -0.585 0.000 2.380 570 W HA 0.105 4.780 4.660 0.025 0.000 0.317 570 W C -0.150 176.110 176.519 -0.432 0.000 1.196 570 W CA 1.125 58.187 57.345 -0.472 0.000 1.307 570 W CB 0.297 29.508 29.460 -0.416 0.000 1.157 570 W HN 0.169 nan 8.180 nan 0.000 0.483 571 V N 2.891 122.533 119.914 -0.454 0.000 2.540 571 V HA 0.248 4.382 4.120 0.024 0.000 0.302 571 V C -0.795 175.062 176.094 -0.396 0.000 1.035 571 V CA -0.779 61.207 62.300 -0.523 0.000 0.873 571 V CB 1.405 33.048 31.823 -0.300 0.000 0.992 571 V HN -0.100 nan 8.190 nan 0.000 0.428 572 D N 4.222 124.383 120.400 -0.397 0.000 2.488 572 D HA 0.084 4.739 4.640 0.024 0.000 0.238 572 D C 0.365 176.486 176.300 -0.299 0.000 1.138 572 D CA 0.687 54.522 54.000 -0.276 0.000 0.873 572 D CB 0.893 41.630 40.800 -0.105 0.000 1.183 572 D HN 0.648 nan 8.370 nan 0.000 0.458 573 Q N 1.084 120.632 119.800 -0.420 0.000 2.894 573 Q HA 0.126 4.481 4.340 0.024 0.000 0.358 573 Q C -0.076 175.880 176.000 -0.073 0.000 1.155 573 Q CA -0.338 54.998 55.803 -0.779 0.000 0.960 573 Q CB 0.024 28.423 28.738 -0.566 0.000 1.428 573 Q HN 0.345 nan 8.270 nan 0.000 0.437 574 S N -0.225 115.535 115.700 0.099 0.000 2.610 574 S HA 0.614 5.098 4.470 0.024 0.000 0.273 574 S C -0.105 174.670 174.600 0.292 0.000 1.274 574 S CA -0.754 57.621 58.200 0.293 0.000 1.023 574 S CB 1.457 64.808 63.200 0.252 0.000 0.962 574 S HN 0.325 nan 8.310 nan 0.000 0.523 575 L N 1.672 122.998 121.223 0.173 0.000 2.362 575 L HA 0.505 4.859 4.340 0.024 0.000 0.271 575 L C -0.409 176.373 176.870 -0.146 0.000 1.002 575 L CA -1.128 53.682 54.840 -0.050 0.000 0.818 575 L CB 1.576 43.474 42.059 -0.269 0.000 1.298 575 L HN 0.567 nan 8.230 nan 0.000 0.420 576 I N 2.720 123.141 120.570 -0.248 0.000 2.496 576 I HA 0.191 4.376 4.170 0.024 0.000 0.285 576 I C 0.180 175.894 176.117 -0.673 0.000 1.080 576 I CA 0.279 61.306 61.300 -0.455 0.000 1.404 576 I CB 0.973 38.706 38.000 -0.445 0.000 1.403 576 I HN 0.600 nan 8.210 nan 0.000 0.539 577 K N 5.179 124.904 120.400 -1.125 0.000 2.395 577 K HA 0.584 4.918 4.320 0.024 0.000 0.245 577 K C -1.562 174.305 176.600 -1.222 0.000 1.017 577 K CA -0.661 54.932 56.287 -1.157 0.000 0.852 577 K CB 2.403 33.872 32.500 -1.719 0.000 1.311 577 K HN 0.200 nan 8.250 nan 0.000 0.452 578 Y N 0.173 120.247 120.300 -0.376 0.000 2.524 578 Y HA 0.205 4.769 4.550 0.024 0.000 0.344 578 Y C -0.008 176.017 175.900 0.208 0.000 1.012 578 Y CA -1.344 56.720 58.100 -0.059 0.000 1.068 578 Y CB 1.081 39.523 38.460 -0.030 0.000 1.249 578 Y HN 0.659 nan 8.280 nan 0.000 0.468 579 D N -0.793 119.883 120.400 0.459 0.000 2.466 579 D HA 0.161 4.816 4.640 0.024 0.000 0.262 579 D C 0.505 176.914 176.300 0.183 0.000 1.177 579 D CA -0.468 53.714 54.000 0.303 0.000 1.035 579 D CB 0.578 41.491 40.800 0.188 0.000 1.105 579 D HN 0.663 nan 8.370 nan 0.000 0.551 580 E N -0.447 119.818 120.200 0.109 0.000 2.070 580 E HA -0.232 4.133 4.350 0.024 0.000 0.197 580 E C 1.430 178.066 176.600 0.060 0.000 1.004 580 E CA 1.302 57.741 56.400 0.066 0.000 0.805 580 E CB -0.365 29.358 29.700 0.037 0.000 0.744 580 E HN 0.415 nan 8.360 nan 0.000 0.451 581 N N 0.085 118.826 118.700 0.069 0.000 2.430 581 N HA -0.127 4.627 4.740 0.024 0.000 0.186 581 N C 1.389 176.942 175.510 0.072 0.000 1.032 581 N CA 1.336 54.424 53.050 0.062 0.000 0.893 581 N CB -0.019 38.507 38.487 0.065 0.000 0.957 581 N HN 0.425 nan 8.380 nan 0.000 0.442 582 G N 0.169 109.032 108.800 0.105 0.000 2.157 582 G HA2 -0.247 3.728 3.960 0.024 0.000 0.248 582 G HA3 -0.247 3.728 3.960 0.024 0.000 0.248 582 G C -0.303 174.739 174.900 0.237 0.000 0.979 582 G CA -0.234 44.924 45.100 0.096 0.000 0.650 582 G HN 0.350 nan 8.290 nan 0.000 0.529 583 N N 2.078 120.927 118.700 0.248 0.000 2.499 583 N HA 0.463 5.217 4.740 0.024 0.000 0.281 583 N C -2.464 173.208 175.510 0.270 0.000 1.098 583 N CA -1.395 51.808 53.050 0.255 0.000 0.979 583 N CB 1.478 40.066 38.487 0.168 0.000 1.121 583 N HN 0.214 nan 8.380 nan 0.000 0.466 584 P HA 0.109 nan 4.420 nan 0.000 0.268 584 P C -0.463 176.782 177.300 -0.091 0.000 1.205 584 P CA -0.116 62.809 63.100 -0.291 0.000 0.771 584 P CB 0.446 32.008 31.700 -0.230 0.000 0.858 585 W N 0.306 121.371 121.300 -0.393 0.000 3.127 585 W HA 0.422 5.097 4.660 0.024 0.000 0.330 585 W C -1.455 174.895 176.519 -0.282 0.000 1.187 585 W CA -1.101 56.023 57.345 -0.369 0.000 1.198 585 W CB 0.387 29.389 29.460 -0.763 0.000 1.408 585 W HN 0.129 nan 8.180 nan 0.000 0.529 586 S N 1.946 117.719 115.700 0.121 0.000 2.474 586 S HA 0.573 5.058 4.470 0.024 0.000 0.276 586 S C 0.253 175.033 174.600 0.301 0.000 1.227 586 S CA -0.262 58.008 58.200 0.115 0.000 1.050 586 S CB 0.966 64.282 63.200 0.192 0.000 0.939 586 S HN 0.614 nan 8.310 nan 0.000 0.490 587 A N 2.903 125.764 122.820 0.068 0.000 2.311 587 A HA 0.895 5.229 4.320 0.024 0.000 0.334 587 A C -0.611 177.282 177.584 0.514 0.000 1.139 587 A CA -0.757 51.391 52.037 0.184 0.000 0.830 587 A CB 0.641 19.463 19.000 -0.296 0.000 1.234 587 A HN 0.867 nan 8.150 nan 0.000 0.483 588 Y N -1.089 119.549 120.300 0.563 0.000 3.068 588 Y HA 0.760 5.324 4.550 0.024 0.000 0.302 588 Y C 0.679 176.986 175.900 0.677 0.000 1.610 588 Y CA -1.206 57.248 58.100 0.590 0.000 1.078 588 Y CB -0.048 38.588 38.460 0.293 0.000 1.418 588 Y HN 0.917 nan 8.280 nan 0.000 0.525 589 G N -0.059 109.195 108.800 0.757 0.000 2.224 589 G HA2 0.349 4.323 3.960 0.024 0.000 0.239 589 G HA3 0.349 4.323 3.960 0.024 0.000 0.239 589 G C 1.011 176.247 174.900 0.560 0.000 1.240 589 G CA 0.431 45.876 45.100 0.575 0.000 0.896 589 G HN 1.978 nan 8.290 nan 0.000 0.496 590 G N 2.220 111.304 108.800 0.473 0.000 2.245 590 G HA2 -0.302 3.673 3.960 0.024 0.000 0.264 590 G HA3 -0.302 3.673 3.960 0.024 0.000 0.264 590 G C 0.933 176.024 174.900 0.319 0.000 0.985 590 G CA 0.745 46.059 45.100 0.355 0.000 0.625 590 G HN 0.657 nan 8.290 nan 0.000 0.536 591 D N -0.330 120.278 120.400 0.345 0.000 2.378 591 D HA 0.088 4.743 4.640 0.024 0.000 0.222 591 D C 1.388 177.546 176.300 -0.236 0.000 0.980 591 D CA 0.560 54.595 54.000 0.059 0.000 0.907 591 D CB -0.190 40.612 40.800 0.004 0.000 0.899 591 D HN 0.498 nan 8.370 nan 0.000 0.527 592 F N -0.771 119.310 119.950 0.217 0.000 2.639 592 F HA 0.309 4.850 4.527 0.024 0.000 0.302 592 F C 1.814 177.699 175.800 0.142 0.000 1.097 592 F CA -0.118 57.969 58.000 0.145 0.000 1.294 592 F CB 0.706 39.786 39.000 0.134 0.000 1.027 592 F HN -0.051 nan 8.300 nan 0.000 0.550 593 G N 0.275 109.231 108.800 0.260 0.000 2.176 593 G HA2 -0.265 3.709 3.960 0.024 0.000 0.253 593 G HA3 -0.265 3.709 3.960 0.024 0.000 0.253 593 G C -0.186 174.848 174.900 0.224 0.000 0.979 593 G CA 0.086 45.306 45.100 0.201 0.000 0.641 593 G HN 0.399 nan 8.290 nan 0.000 0.530 594 D N 0.367 120.950 120.400 0.305 0.000 2.389 594 D HA 0.528 5.182 4.640 0.024 0.000 0.247 594 D C 0.099 176.519 176.300 0.200 0.000 1.128 594 D CA 0.895 55.061 54.000 0.277 0.000 0.884 594 D CB 1.703 42.726 40.800 0.371 0.000 1.194 594 D HN 0.407 nan 8.370 nan 0.000 0.441 595 T N 0.961 115.603 114.554 0.147 0.000 3.128 595 T HA 0.317 4.681 4.350 0.024 0.000 0.363 595 T C -2.871 171.869 174.700 0.066 0.000 1.610 595 T CA -1.075 61.081 62.100 0.095 0.000 1.126 595 T CB 1.052 69.975 68.868 0.093 0.000 1.416 595 T HN 0.370 nan 8.240 nan 0.000 0.480 596 P HA 0.458 nan 4.420 nan 0.000 0.272 596 P C -0.924 176.364 177.300 -0.020 0.000 1.230 596 P CA -0.240 62.859 63.100 -0.002 0.000 0.788 596 P CB 0.356 32.032 31.700 -0.040 0.000 0.949 597 N N -1.372 117.311 118.700 -0.029 0.000 2.647 597 N HA 0.289 5.044 4.740 0.024 0.000 0.266 597 N C -0.846 174.594 175.510 -0.116 0.000 1.373 597 N CA -0.784 52.221 53.050 -0.075 0.000 0.807 597 N CB 0.795 39.332 38.487 0.084 0.000 1.513 597 N HN 0.103 nan 8.380 nan 0.000 0.505 598 D N -0.270 119.998 120.400 -0.221 0.000 2.559 598 D HA 0.183 4.837 4.640 0.024 0.000 0.234 598 D C 0.231 176.673 176.300 0.237 0.000 1.226 598 D CA -0.238 53.696 54.000 -0.110 0.000 0.830 598 D CB 0.185 40.799 40.800 -0.309 0.000 1.028 598 D HN 0.427 nan 8.370 nan 0.000 0.492 599 R N 1.010 121.692 120.500 0.303 0.000 3.772 599 R HA -0.265 4.090 4.340 0.024 0.000 0.480 599 R C 1.505 177.915 176.300 0.183 0.000 0.241 599 R CA 1.467 57.796 56.100 0.382 0.000 1.508 599 R CB -1.744 28.681 30.300 0.208 0.000 0.956 599 R HN 0.318 nan 8.270 nan 0.000 0.583 600 Q N 1.680 121.293 119.800 -0.313 0.000 2.482 600 Q HA -0.037 4.317 4.340 0.024 0.000 0.209 600 Q C 1.679 177.550 176.000 -0.215 0.000 0.961 600 Q CA 1.174 56.626 55.803 -0.585 0.000 0.945 600 Q CB -0.215 27.992 28.738 -0.885 0.000 1.012 600 Q HN 0.529 nan 8.270 nan 0.000 0.515 601 F N 2.139 122.033 119.950 -0.094 0.000 2.408 601 F HA -0.126 4.415 4.527 0.024 0.000 0.300 601 F C 1.916 177.689 175.800 -0.045 0.000 1.090 601 F CA 0.826 58.845 58.000 0.032 0.000 1.427 601 F CB -0.074 39.004 39.000 0.130 0.000 1.070 601 F HN 0.444 nan 8.300 nan 0.000 0.549 602 C N -0.794 118.158 119.300 -0.578 0.000 2.626 602 C HA 0.310 4.785 4.460 0.024 0.000 0.266 602 C C 0.806 175.512 174.990 -0.473 0.000 1.317 602 C CA -0.547 57.947 59.018 -0.874 0.000 1.716 602 C CB -1.927 24.687 27.740 -1.878 0.000 1.819 602 C HN 0.208 nan 8.230 nan 0.000 0.578 603 M N 2.327 121.719 119.600 -0.347 0.000 2.027 603 M HA 0.300 4.794 4.480 0.024 0.000 0.329 603 M C -0.513 175.637 176.300 -0.251 0.000 0.971 603 M CA 0.328 55.483 55.300 -0.241 0.000 0.933 603 M CB 0.125 32.643 32.600 -0.137 0.000 1.392 603 M HN 0.323 nan 8.290 nan 0.000 0.394 604 N N 0.804 119.329 118.700 -0.291 0.000 2.240 604 N HA 0.182 4.936 4.740 0.024 0.000 0.240 604 N C 0.501 175.765 175.510 -0.409 0.000 1.277 604 N CA -0.524 52.309 53.050 -0.362 0.000 0.873 604 N CB 1.272 39.610 38.487 -0.248 0.000 1.222 604 N HN 0.676 nan 8.380 nan 0.000 0.507 605 G N 0.102 108.640 108.800 -0.436 0.000 2.507 605 G HA2 0.286 4.261 3.960 0.024 0.000 0.271 605 G HA3 0.286 4.261 3.960 0.024 0.000 0.271 605 G C 0.745 175.183 174.900 -0.769 0.000 1.189 605 G CA -0.478 44.260 45.100 -0.603 0.000 0.859 605 G HN 0.104 nan 8.290 nan 0.000 0.542 606 L N 0.048 120.807 121.223 -0.773 0.000 2.341 606 L HA 0.122 4.477 4.340 0.024 0.000 0.214 606 L C 0.854 177.114 176.870 -1.017 0.000 1.115 606 L CA 0.416 54.822 54.840 -0.723 0.000 0.820 606 L CB -0.185 41.554 42.059 -0.534 0.000 0.944 606 L HN 0.412 nan 8.230 nan 0.000 0.452 607 V N -5.192 113.978 119.914 -1.241 0.000 2.962 607 V HA 0.464 4.599 4.120 0.024 0.000 0.313 607 V C -0.261 175.276 176.094 -0.928 0.000 1.099 607 V CA -1.282 60.411 62.300 -1.012 0.000 0.971 607 V CB 1.611 32.913 31.823 -0.869 0.000 1.028 607 V HN -0.139 nan 8.190 nan 0.000 0.430 608 F N 1.410 121.156 119.950 -0.340 0.000 2.435 608 F HA 0.555 5.096 4.527 0.025 0.000 0.316 608 F C 1.989 177.698 175.800 -0.151 0.000 1.220 608 F CA 0.625 58.588 58.000 -0.062 0.000 1.241 608 F CB 0.809 39.831 39.000 0.036 0.000 1.234 608 F HN 0.779 nan 8.300 nan 0.000 0.569 609 A N 0.635 123.552 122.820 0.162 0.000 1.986 609 A HA -0.240 4.094 4.320 0.024 0.000 0.220 609 A C 1.608 179.172 177.584 -0.033 0.000 1.171 609 A CA 1.937 54.006 52.037 0.054 0.000 0.640 609 A CB -1.067 18.006 19.000 0.121 0.000 0.811 609 A HN 0.808 nan 8.150 nan 0.000 0.451 610 D N -2.915 117.480 120.400 -0.008 0.000 2.352 610 D HA 0.103 4.758 4.640 0.024 0.000 0.232 610 D C 0.681 176.968 176.300 -0.021 0.000 1.055 610 D CA 0.190 54.160 54.000 -0.050 0.000 0.891 610 D CB -0.134 40.637 40.800 -0.048 0.000 0.897 610 D HN 0.240 nan 8.370 nan 0.000 0.529 611 R N -2.042 118.443 120.500 -0.026 0.000 3.804 611 R HA -0.118 4.236 4.340 0.024 0.000 0.459 611 R C -0.459 175.829 176.300 -0.020 0.000 1.009 611 R CA 1.025 57.096 56.100 -0.048 0.000 1.210 611 R CB -3.211 27.098 30.300 0.014 0.000 1.860 611 R HN 0.253 nan 8.270 nan 0.000 0.526 612 T N 2.829 117.419 114.554 0.060 0.000 2.851 612 T HA 0.347 4.712 4.350 0.024 0.000 0.298 612 T C -2.255 172.538 174.700 0.155 0.000 0.977 612 T CA -0.901 61.270 62.100 0.118 0.000 1.126 612 T CB 1.074 70.037 68.868 0.158 0.000 0.916 612 T HN -0.066 nan 8.240 nan 0.000 0.529 613 P HA 0.137 nan 4.420 nan 0.000 0.272 613 P C -0.216 177.126 177.300 0.071 0.000 1.223 613 P CA -0.221 62.858 63.100 -0.036 0.000 0.784 613 P CB 0.435 32.122 31.700 -0.022 0.000 0.923 614 H N 2.059 120.960 119.070 -0.282 0.000 2.505 614 H HA 0.138 4.709 4.556 0.024 0.000 0.355 614 H C -1.265 173.965 175.328 -0.163 0.000 1.179 614 H CA -1.989 53.868 56.048 -0.318 0.000 1.343 614 H CB 0.516 30.035 29.762 -0.405 0.000 1.501 614 H HN 0.309 nan 8.280 nan 0.000 0.569 615 P HA -0.156 nan 4.420 nan 0.000 0.219 615 P C 1.146 178.440 177.300 -0.010 0.000 1.146 615 P CA 1.229 64.319 63.100 -0.017 0.000 0.808 615 P CB 0.041 31.730 31.700 -0.018 0.000 0.779 616 A N -0.407 122.407 122.820 -0.011 0.000 2.019 616 A HA -0.177 4.158 4.320 0.024 0.000 0.219 616 A C 2.059 179.579 177.584 -0.106 0.000 1.164 616 A CA 1.159 53.151 52.037 -0.075 0.000 0.644 616 A CB -1.584 17.346 19.000 -0.117 0.000 0.805 616 A HN 0.168 nan 8.150 nan 0.000 0.449 617 L N -0.493 120.685 121.223 -0.074 0.000 2.081 617 L HA -0.154 4.201 4.340 0.024 0.000 0.212 617 L C 2.525 179.427 176.870 0.053 0.000 1.080 617 L CA 2.734 57.562 54.840 -0.019 0.000 0.754 617 L CB -0.945 41.097 42.059 -0.028 0.000 0.893 617 L HN 0.392 nan 8.230 nan 0.000 0.433 618 T N -1.704 112.886 114.554 0.059 0.000 2.821 618 T HA -0.193 4.171 4.350 0.024 0.000 0.267 618 T C 1.811 176.611 174.700 0.166 0.000 1.046 618 T CA 1.409 63.597 62.100 0.146 0.000 1.139 618 T CB -0.119 68.809 68.868 0.100 0.000 0.871 618 T HN 0.477 nan 8.240 nan 0.000 0.454 619 E N 0.861 121.101 120.200 0.068 0.000 2.077 619 E HA 0.010 4.375 4.350 0.024 0.000 0.193 619 E C 2.189 178.801 176.600 0.021 0.000 0.989 619 E CA 1.470 57.915 56.400 0.075 0.000 0.800 619 E CB -0.639 29.068 29.700 0.012 0.000 0.746 619 E HN 0.536 nan 8.360 nan 0.000 0.452 620 A N 0.921 123.630 122.820 -0.185 0.000 1.902 620 A HA -0.239 4.096 4.320 0.024 0.000 0.217 620 A C 2.157 179.653 177.584 -0.147 0.000 1.181 620 A CA 1.994 53.875 52.037 -0.260 0.000 0.623 620 A CB -0.636 18.204 19.000 -0.266 0.000 0.818 620 A HN 0.285 nan 8.150 nan 0.000 0.443 621 K N -1.263 119.122 120.400 -0.026 0.000 2.026 621 K HA -0.274 4.060 4.320 0.024 0.000 0.208 621 K C 2.092 178.609 176.600 -0.139 0.000 1.048 621 K CA 1.905 58.183 56.287 -0.015 0.000 0.929 621 K CB -0.403 32.233 32.500 0.227 0.000 0.713 621 K HN 0.563 nan 8.250 nan 0.000 0.439 622 H N 0.680 119.584 119.070 -0.276 0.000 2.290 622 H HA -0.081 4.490 4.556 0.025 0.000 0.298 622 H C 2.015 177.063 175.328 -0.468 0.000 1.087 622 H CA 2.050 57.729 56.048 -0.614 0.000 1.291 622 H CB -0.067 29.419 29.762 -0.459 0.000 1.369 622 H HN 0.272 nan 8.280 nan 0.000 0.492 623 Q N 0.244 119.809 119.800 -0.392 0.000 2.170 623 Q HA -0.122 4.232 4.340 0.024 0.000 0.203 623 Q C 1.913 177.355 176.000 -0.930 0.000 0.976 623 Q CA 1.393 56.865 55.803 -0.552 0.000 0.858 623 Q CB -0.097 28.469 28.738 -0.287 0.000 0.907 623 Q HN 0.714 nan 8.270 nan 0.000 0.433 624 Q N 0.032 119.252 119.800 -0.966 0.000 2.403 624 Q HA 0.052 4.407 4.340 0.024 0.000 0.203 624 Q C -0.009 175.409 176.000 -0.969 0.000 0.932 624 Q CA -0.233 54.853 55.803 -1.195 0.000 0.945 624 Q CB 0.268 28.337 28.738 -1.116 0.000 1.045 624 Q HN 0.387 nan 8.270 nan 0.000 0.511 625 Q N -0.298 119.092 119.800 -0.683 0.000 2.354 625 Q HA -0.112 4.243 4.340 0.024 0.000 0.310 625 Q C -0.127 175.485 176.000 -0.647 0.000 1.104 625 Q CA 0.505 56.023 55.803 -0.476 0.000 0.968 625 Q CB 0.394 28.942 28.738 -0.316 0.000 1.251 625 Q HN 0.312 nan 8.270 nan 0.000 0.411 626 F N 0.548 120.246 119.950 -0.420 0.000 2.776 626 F HA 0.187 4.728 4.527 0.023 0.000 0.300 626 F C -0.013 175.184 175.800 -1.005 0.000 1.116 626 F CA -0.019 57.490 58.000 -0.818 0.000 1.375 626 F CB 0.539 38.735 39.000 -1.340 0.000 1.109 626 F HN 0.324 nan 8.300 nan 0.000 0.585 627 F N 0.529 120.391 119.950 -0.147 0.000 2.495 627 F HA 0.474 5.016 4.527 0.025 0.000 0.327 627 F C -0.068 175.360 175.800 -0.621 0.000 1.103 627 F CA -1.055 56.756 58.000 -0.316 0.000 0.949 627 F CB 1.222 40.092 39.000 -0.217 0.000 1.142 627 F HN -0.306 nan 8.300 nan 0.000 0.457 628 Q N 3.139 122.627 119.800 -0.520 0.000 2.345 628 Q HA 0.563 4.918 4.340 0.024 0.000 0.268 628 Q C -1.361 174.231 176.000 -0.680 0.000 1.054 628 Q CA -0.669 54.836 55.803 -0.498 0.000 0.835 628 Q CB 2.992 31.610 28.738 -0.200 0.000 1.339 628 Q HN 0.546 nan 8.270 nan 0.000 0.447 629 F N 0.135 120.215 119.950 0.217 0.000 2.561 629 F HA 0.640 5.182 4.527 0.025 0.000 0.321 629 F C 0.335 176.369 175.800 0.391 0.000 1.065 629 F CA -0.894 57.310 58.000 0.339 0.000 0.934 629 F CB 2.074 41.422 39.000 0.580 0.000 1.215 629 F HN 0.156 nan 8.300 nan 0.000 0.471 630 R N 1.345 122.146 120.500 0.501 0.000 2.651 630 R HA 0.684 5.039 4.340 0.024 0.000 0.278 630 R C -2.069 174.255 176.300 0.039 0.000 1.010 630 R CA -1.128 55.170 56.100 0.331 0.000 0.896 630 R CB 2.936 33.337 30.300 0.167 0.000 1.211 630 R HN 0.607 nan 8.270 nan 0.000 0.456 631 L N 0.636 121.739 121.223 -0.200 0.000 2.365 631 L HA 0.585 4.939 4.340 0.024 0.000 0.273 631 L C -1.083 175.608 176.870 -0.299 0.000 1.000 631 L CA 0.045 54.555 54.840 -0.551 0.000 0.819 631 L CB 2.255 43.473 42.059 -1.401 0.000 1.284 631 L HN 0.510 nan 8.230 nan 0.000 0.418 632 S N 3.591 119.146 115.700 -0.242 0.000 2.746 632 S HA 0.682 5.167 4.470 0.024 0.000 0.273 632 S C 0.341 174.845 174.600 -0.161 0.000 1.172 632 S CA 0.240 58.346 58.200 -0.156 0.000 1.116 632 S CB 0.265 63.409 63.200 -0.094 0.000 1.057 632 S HN 1.496 nan 8.310 nan 0.000 0.483 633 G N 4.378 113.084 108.800 -0.157 0.000 2.601 633 G HA2 -0.336 3.639 3.960 0.024 0.000 0.306 633 G HA3 -0.336 3.639 3.960 0.024 0.000 0.306 633 G C 0.467 175.256 174.900 -0.185 0.000 1.172 633 G CA 0.937 45.951 45.100 -0.143 0.000 0.966 633 G HN 0.658 nan 8.290 nan 0.000 0.542 634 Q N 0.321 120.015 119.800 -0.177 0.000 2.217 634 Q HA 0.434 4.789 4.340 0.024 0.000 0.217 634 Q C 0.645 176.506 176.000 -0.232 0.000 0.844 634 Q CA 0.808 56.484 55.803 -0.212 0.000 0.957 634 Q CB 0.765 29.397 28.738 -0.177 0.000 1.127 634 Q HN 0.506 nan 8.270 nan 0.000 0.503 635 T N 0.359 114.791 114.554 -0.203 0.000 2.767 635 T HA 0.530 4.894 4.350 0.024 0.000 0.284 635 T C -0.572 174.008 174.700 -0.201 0.000 0.973 635 T CA -0.300 61.695 62.100 -0.175 0.000 0.996 635 T CB 0.398 69.196 68.868 -0.116 0.000 0.927 635 T HN 0.112 nan 8.240 nan 0.000 0.456 636 I N 3.569 124.039 120.570 -0.166 0.000 2.354 636 I HA 0.357 4.541 4.170 0.024 0.000 0.292 636 I C 0.340 176.461 176.117 0.007 0.000 0.989 636 I CA -0.604 60.624 61.300 -0.120 0.000 1.188 636 I CB 1.537 39.489 38.000 -0.080 0.000 1.342 636 I HN 0.493 nan 8.210 nan 0.000 0.457 637 E N 6.835 127.072 120.200 0.062 0.000 2.129 637 E HA 0.397 4.762 4.350 0.024 0.000 0.268 637 E C -1.536 175.159 176.600 0.157 0.000 0.900 637 E CA -0.588 55.865 56.400 0.089 0.000 0.755 637 E CB 1.625 31.354 29.700 0.048 0.000 1.117 637 E HN 0.332 nan 8.360 nan 0.000 0.410 638 V N 4.025 124.021 119.914 0.136 0.000 2.407 638 V HA 0.344 4.479 4.120 0.024 0.000 0.278 638 V C 0.144 176.261 176.094 0.039 0.000 1.037 638 V CA -0.437 61.912 62.300 0.082 0.000 0.900 638 V CB 1.593 33.504 31.823 0.146 0.000 0.983 638 V HN 0.675 nan 8.190 nan 0.000 0.459 639 T N 3.227 117.762 114.554 -0.032 0.000 2.841 639 T HA 0.398 4.762 4.350 0.024 0.000 0.283 639 T C -0.251 174.453 174.700 0.006 0.000 1.000 639 T CA -0.326 61.769 62.100 -0.009 0.000 0.977 639 T CB 1.692 70.531 68.868 -0.049 0.000 0.979 639 T HN 0.697 nan 8.240 nan 0.000 0.446 640 S N 1.473 117.186 115.700 0.021 0.000 2.489 640 S HA 0.287 4.771 4.470 0.024 0.000 0.291 640 S C 0.582 175.067 174.600 -0.192 0.000 1.151 640 S CA -0.608 57.538 58.200 -0.089 0.000 1.082 640 S CB 0.719 63.966 63.200 0.078 0.000 1.019 640 S HN 0.715 nan 8.310 nan 0.000 0.492 641 E N 2.929 122.914 120.200 -0.358 0.000 2.465 641 E HA 0.105 4.469 4.350 0.024 0.000 0.195 641 E C -0.840 175.608 176.600 -0.255 0.000 1.028 641 E CA -0.098 56.136 56.400 -0.276 0.000 0.899 641 E CB 0.291 29.820 29.700 -0.286 0.000 1.032 641 E HN 0.671 nan 8.360 nan 0.000 0.468 642 Y N 0.418 120.608 120.300 -0.185 0.000 2.346 642 Y HA 0.046 4.610 4.550 0.024 0.000 0.330 642 Y C 1.429 177.165 175.900 -0.273 0.000 1.178 642 Y CA -0.241 57.735 58.100 -0.206 0.000 1.331 642 Y CB 0.855 39.186 38.460 -0.215 0.000 1.253 642 Y HN -0.017 nan 8.280 nan 0.000 0.529 643 L N 1.382 122.431 121.223 -0.289 0.000 2.408 643 L HA 0.044 4.399 4.340 0.024 0.000 0.215 643 L C 0.710 177.183 176.870 -0.662 0.000 1.081 643 L CA 0.659 55.095 54.840 -0.675 0.000 0.840 643 L CB -0.036 41.183 42.059 -1.400 0.000 1.002 643 L HN 0.645 nan 8.230 nan 0.000 0.468 644 F N -0.129 119.835 119.950 0.024 0.000 2.532 644 F HA 0.200 4.741 4.527 0.023 0.000 0.276 644 F C 1.407 177.204 175.800 -0.005 0.000 0.911 644 F CA -0.817 57.176 58.000 -0.011 0.000 1.196 644 F CB 0.017 38.985 39.000 -0.052 0.000 1.087 644 F HN -0.172 nan 8.300 nan 0.000 0.775 645 R N 1.079 121.631 120.500 0.087 0.000 2.560 645 R HA 0.300 4.655 4.340 0.024 0.000 0.270 645 R C -0.566 175.772 176.300 0.062 0.000 1.074 645 R CA -0.423 55.684 56.100 0.010 0.000 1.140 645 R CB 0.407 30.588 30.300 -0.198 0.000 1.073 645 R HN 0.238 nan 8.270 nan 0.000 0.527 646 H N 0.143 119.208 119.070 -0.009 0.000 2.509 646 H HA 0.078 4.649 4.556 0.024 0.000 0.359 646 H C 0.148 175.519 175.328 0.072 0.000 1.253 646 H CA -0.238 55.845 56.048 0.058 0.000 1.373 646 H CB 1.560 31.358 29.762 0.060 0.000 1.555 646 H HN 0.775 nan 8.280 nan 0.000 0.586 647 S N 0.916 116.790 115.700 0.289 0.000 4.120 647 S HA -0.045 4.440 4.470 0.024 0.000 0.215 647 S C 0.134 174.849 174.600 0.192 0.000 1.347 647 S CA -0.622 57.756 58.200 0.296 0.000 0.889 647 S CB -0.873 62.507 63.200 0.300 0.000 1.585 647 S HN 0.558 nan 8.310 nan 0.000 0.447 648 D N 0.537 121.023 120.400 0.143 0.000 2.358 648 D HA 0.093 4.748 4.640 0.024 0.000 0.224 648 D C 0.303 176.648 176.300 0.075 0.000 1.123 648 D CA -0.359 53.699 54.000 0.097 0.000 0.833 648 D CB -0.282 40.554 40.800 0.061 0.000 0.946 648 D HN 0.494 nan 8.370 nan 0.000 0.505 649 N N 0.182 118.940 118.700 0.096 0.000 2.620 649 N HA 0.134 4.889 4.740 0.024 0.000 0.277 649 N C -1.585 173.992 175.510 0.113 0.000 1.726 649 N CA -0.188 52.911 53.050 0.082 0.000 0.840 649 N CB 0.262 38.787 38.487 0.064 0.000 1.379 649 N HN -0.033 nan 8.380 nan 0.000 0.506 650 E N 0.265 120.524 120.200 0.098 0.000 2.343 650 E HA 0.492 4.857 4.350 0.024 0.000 0.278 650 E C -1.275 175.361 176.600 0.059 0.000 0.910 650 E CA -0.735 55.718 56.400 0.088 0.000 0.757 650 E CB 2.274 32.000 29.700 0.043 0.000 1.218 650 E HN 0.295 nan 8.360 nan 0.000 0.435 651 L N 1.386 122.652 121.223 0.072 0.000 2.409 651 L HA 0.704 5.058 4.340 0.024 0.000 0.262 651 L C -1.663 175.273 176.870 0.110 0.000 0.992 651 L CA -1.158 53.732 54.840 0.083 0.000 0.817 651 L CB 1.558 43.670 42.059 0.088 0.000 1.350 651 L HN 0.623 nan 8.230 nan 0.000 0.411 652 L N 3.636 124.937 121.223 0.129 0.000 2.282 652 L HA 0.507 4.861 4.340 0.024 0.000 0.288 652 L C -0.500 176.507 176.870 0.228 0.000 1.033 652 L CA 0.034 54.981 54.840 0.177 0.000 0.807 652 L CB 0.888 43.057 42.059 0.183 0.000 1.209 652 L HN 0.731 nan 8.230 nan 0.000 0.423 653 H N 5.709 124.864 119.070 0.143 0.000 2.529 653 H HA 0.468 5.038 4.556 0.024 0.000 0.348 653 H C -1.718 173.722 175.328 0.187 0.000 1.152 653 H CA -0.567 55.533 56.048 0.086 0.000 1.202 653 H CB 1.367 31.118 29.762 -0.018 0.000 1.562 653 H HN 0.768 nan 8.280 nan 0.000 0.515 654 W N 4.354 125.159 121.300 -0.825 0.000 3.083 654 W HA 0.539 5.214 4.660 0.024 0.000 0.333 654 W C -2.027 174.205 176.519 -0.477 0.000 1.217 654 W CA -1.240 55.870 57.345 -0.391 0.000 1.170 654 W CB 1.386 30.737 29.460 -0.182 0.000 1.437 654 W HN 0.613 nan 8.180 nan 0.000 0.557 655 M N 2.401 122.113 119.600 0.186 0.000 2.414 655 M HA 0.588 5.082 4.480 0.024 0.000 0.287 655 M C -2.602 173.901 176.300 0.339 0.000 1.181 655 M CA -0.430 54.915 55.300 0.075 0.000 0.933 655 M CB 1.929 34.581 32.600 0.087 0.000 1.732 655 M HN 0.182 nan 8.290 nan 0.000 0.486 656 V N 3.602 123.715 119.914 0.332 0.000 2.417 656 V HA 1.011 5.146 4.120 0.024 0.000 0.291 656 V C -0.202 176.009 176.094 0.196 0.000 1.024 656 V CA -0.037 62.440 62.300 0.296 0.000 0.861 656 V CB 0.999 33.005 31.823 0.304 0.000 0.985 656 V HN 1.095 nan 8.190 nan 0.000 0.436 657 A N 4.639 127.587 122.820 0.214 0.000 2.498 657 A HA 0.915 5.250 4.320 0.024 0.000 0.298 657 A C -1.436 176.285 177.584 0.227 0.000 1.075 657 A CA -0.628 51.510 52.037 0.169 0.000 0.714 657 A CB 1.773 20.837 19.000 0.108 0.000 1.299 657 A HN 0.873 nan 8.150 nan 0.000 0.407 658 L N 1.250 122.571 121.223 0.164 0.000 2.316 658 L HA 0.588 4.943 4.340 0.024 0.000 0.280 658 L C -0.652 176.332 176.870 0.190 0.000 1.006 658 L CA 0.206 55.157 54.840 0.186 0.000 0.836 658 L CB 0.702 42.830 42.059 0.115 0.000 1.221 658 L HN 0.769 nan 8.230 nan 0.000 0.418 659 D N 4.514 125.107 120.400 0.321 0.000 2.751 659 D HA -0.203 4.451 4.640 0.024 0.000 0.233 659 D C 1.138 177.489 176.300 0.084 0.000 1.149 659 D CA 1.636 55.795 54.000 0.266 0.000 0.682 659 D CB -1.076 39.827 40.800 0.171 0.000 1.068 659 D HN 1.213 nan 8.370 nan 0.000 0.429 660 G N -0.792 108.024 108.800 0.028 0.000 2.205 660 G HA2 -0.375 3.600 3.960 0.024 0.000 0.261 660 G HA3 -0.375 3.600 3.960 0.024 0.000 0.261 660 G C 0.155 174.988 174.900 -0.112 0.000 0.980 660 G CA 0.594 45.593 45.100 -0.168 0.000 0.632 660 G HN 0.537 nan 8.290 nan 0.000 0.533 661 K N 1.597 121.986 120.400 -0.019 0.000 2.262 661 K HA 0.523 4.857 4.320 0.024 0.000 0.282 661 K C -2.857 173.746 176.600 0.005 0.000 1.066 661 K CA -2.048 54.228 56.287 -0.018 0.000 0.901 661 K CB 1.696 34.197 32.500 0.001 0.000 1.089 661 K HN 0.038 nan 8.250 nan 0.000 0.476 662 P HA 0.023 nan 4.420 nan 0.000 0.271 662 P C -0.098 177.210 177.300 0.013 0.000 1.233 662 P CA 0.061 63.156 63.100 -0.008 0.000 0.764 662 P CB 0.594 32.270 31.700 -0.041 0.000 0.825 663 L N 1.833 123.084 121.223 0.046 0.000 2.642 663 L HA 0.503 4.857 4.340 0.024 0.000 0.233 663 L C 0.730 177.641 176.870 0.068 0.000 1.077 663 L CA 0.219 55.094 54.840 0.058 0.000 0.879 663 L CB 0.318 42.427 42.059 0.083 0.000 1.151 663 L HN 0.380 nan 8.230 nan 0.000 0.495 664 A N -0.119 122.745 122.820 0.073 0.000 2.580 664 A HA 0.542 4.876 4.320 0.024 0.000 0.301 664 A C -0.629 176.866 177.584 -0.149 0.000 1.054 664 A CA -0.040 52.035 52.037 0.063 0.000 0.751 664 A CB 1.025 20.181 19.000 0.259 0.000 1.275 664 A HN 0.065 nan 8.150 nan 0.000 0.403 665 S N 0.413 115.784 115.700 -0.548 0.000 2.705 665 S HA 1.031 5.516 4.470 0.024 0.000 0.280 665 S C -0.021 173.600 174.600 -1.631 0.000 1.174 665 S CA -0.074 57.285 58.200 -1.401 0.000 0.823 665 S CB 1.357 64.223 63.200 -0.556 0.000 1.162 665 S HN 2.724 nan 8.310 nan 0.000 0.487 666 G N -0.378 107.216 108.800 -2.010 0.000 2.322 666 G HA2 0.521 4.496 3.960 0.024 0.000 0.295 666 G HA3 0.521 4.496 3.960 0.024 0.000 0.295 666 G C -2.214 172.275 174.900 -0.686 0.000 1.369 666 G CA -0.833 43.719 45.100 -0.913 0.000 0.821 666 G HN 0.812 nan 8.290 nan 0.000 0.536 667 E N -1.548 118.636 120.200 -0.027 0.000 2.355 667 E HA 0.784 5.148 4.350 0.024 0.000 0.261 667 E C -1.388 175.340 176.600 0.213 0.000 0.943 667 E CA -1.186 55.288 56.400 0.123 0.000 0.806 667 E CB 3.094 32.875 29.700 0.134 0.000 1.286 667 E HN 0.438 nan 8.360 nan 0.000 0.424 668 V N 1.294 121.318 119.914 0.184 0.000 2.775 668 V HA 0.216 4.350 4.120 0.024 0.000 0.295 668 V C -2.666 173.497 176.094 0.115 0.000 1.226 668 V CA -1.559 60.831 62.300 0.150 0.000 0.934 668 V CB 1.984 33.897 31.823 0.149 0.000 1.056 668 V HN 0.563 nan 8.190 nan 0.000 0.436 669 P HA 0.314 nan 4.420 nan 0.000 0.271 669 P C -0.706 176.635 177.300 0.070 0.000 1.216 669 P CA -0.087 63.059 63.100 0.076 0.000 0.776 669 P CB 0.739 32.479 31.700 0.067 0.000 0.881 670 L N 2.826 124.081 121.223 0.053 0.000 2.307 670 L HA 0.377 4.731 4.340 0.024 0.000 0.282 670 L C 0.430 177.342 176.870 0.070 0.000 1.051 670 L CA 0.047 54.908 54.840 0.036 0.000 0.804 670 L CB 1.019 43.040 42.059 -0.062 0.000 1.197 670 L HN 0.335 nan 8.230 nan 0.000 0.431 671 D N 3.040 123.494 120.400 0.089 0.000 2.621 671 D HA 0.276 4.930 4.640 0.024 0.000 0.274 671 D C -1.218 175.161 176.300 0.133 0.000 1.215 671 D CA -0.129 53.951 54.000 0.133 0.000 0.810 671 D CB 0.929 41.801 40.800 0.121 0.000 1.248 671 D HN 0.054 nan 8.370 nan 0.000 0.517 672 V N 0.784 120.775 119.914 0.130 0.000 2.513 672 V HA 0.868 5.002 4.120 0.024 0.000 0.299 672 V C 0.870 176.888 176.094 -0.127 0.000 1.035 672 V CA -1.214 61.126 62.300 0.066 0.000 0.889 672 V CB 1.292 33.222 31.823 0.178 0.000 0.988 672 V HN 0.448 nan 8.190 nan 0.000 0.440 673 A N 5.908 128.506 122.820 -0.370 0.000 2.304 673 A HA 0.761 5.095 4.320 0.024 0.000 0.271 673 A C -2.380 175.025 177.584 -0.297 0.000 1.091 673 A CA -1.723 49.800 52.037 -0.857 0.000 0.812 673 A CB -0.111 18.517 19.000 -0.620 0.000 1.056 673 A HN 0.708 nan 8.150 nan 0.000 0.489 674 P HA -0.011 nan 4.420 nan 0.000 0.260 674 P C -0.378 176.875 177.300 -0.080 0.000 1.172 674 P CA 0.790 63.851 63.100 -0.065 0.000 0.760 674 P CB 0.424 32.092 31.700 -0.055 0.000 0.773 675 Q N -0.936 118.822 119.800 -0.069 0.000 2.324 675 Q HA -0.166 4.189 4.340 0.024 0.000 0.200 675 Q C 0.805 176.777 176.000 -0.047 0.000 0.645 675 Q CA 1.925 57.686 55.803 -0.070 0.000 1.377 675 Q CB -2.534 26.160 28.738 -0.074 0.000 1.486 675 Q HN 0.732 nan 8.270 nan 0.000 0.796 676 G N 0.129 108.904 108.800 -0.042 0.000 2.543 676 G HA2 0.516 4.490 3.960 0.024 0.000 0.290 676 G HA3 0.516 4.490 3.960 0.024 0.000 0.290 676 G C -0.037 174.867 174.900 0.005 0.000 1.310 676 G CA -0.492 44.594 45.100 -0.024 0.000 1.025 676 G HN -0.041 nan 8.290 nan 0.000 0.502 677 K N -0.700 119.708 120.400 0.014 0.000 2.350 677 K HA 0.486 4.820 4.320 0.024 0.000 0.241 677 K C -0.973 175.651 176.600 0.040 0.000 0.994 677 K CA -0.641 55.664 56.287 0.029 0.000 0.839 677 K CB 2.476 34.987 32.500 0.019 0.000 1.244 677 K HN 0.601 nan 8.250 nan 0.000 0.443 678 Q N 2.005 121.836 119.800 0.052 0.000 2.284 678 Q HA 0.383 4.738 4.340 0.024 0.000 0.269 678 Q C -1.702 174.327 176.000 0.049 0.000 1.026 678 Q CA -0.582 55.253 55.803 0.053 0.000 0.831 678 Q CB 1.526 30.305 28.738 0.067 0.000 1.322 678 Q HN 0.532 nan 8.270 nan 0.000 0.419 679 L N 4.350 125.592 121.223 0.031 0.000 2.322 679 L HA 0.641 4.996 4.340 0.024 0.000 0.279 679 L C -0.356 176.517 176.870 0.004 0.000 1.036 679 L CA -0.965 53.883 54.840 0.013 0.000 0.807 679 L CB 1.541 43.598 42.059 -0.004 0.000 1.226 679 L HN 0.613 nan 8.230 nan 0.000 0.433 680 I N 1.909 122.468 120.570 -0.017 0.000 2.468 680 I HA 0.194 4.379 4.170 0.024 0.000 0.285 680 I C -0.578 175.478 176.117 -0.102 0.000 1.039 680 I CA -0.504 60.772 61.300 -0.041 0.000 1.074 680 I CB 2.387 40.374 38.000 -0.022 0.000 1.228 680 I HN 0.572 nan 8.210 nan 0.000 0.436 681 E N 6.934 127.076 120.200 -0.098 0.000 2.194 681 E HA 0.363 4.728 4.350 0.024 0.000 0.284 681 E C -1.081 175.403 176.600 -0.192 0.000 1.035 681 E CA -0.264 56.058 56.400 -0.131 0.000 0.836 681 E CB 0.861 30.507 29.700 -0.090 0.000 1.070 681 E HN 0.452 nan 8.360 nan 0.000 0.401 682 L N 7.192 128.249 121.223 -0.277 0.000 2.331 682 L HA 0.350 4.704 4.340 0.024 0.000 0.278 682 L C -1.766 174.942 176.870 -0.271 0.000 1.106 682 L CA -2.019 52.572 54.840 -0.416 0.000 0.824 682 L CB 0.748 42.468 42.059 -0.564 0.000 1.142 682 L HN 0.551 nan 8.230 nan 0.000 0.443 683 P HA -0.022 nan 4.420 nan 0.000 0.269 683 P C -0.378 176.866 177.300 -0.093 0.000 1.209 683 P CA -0.349 62.693 63.100 -0.097 0.000 0.776 683 P CB 0.462 32.157 31.700 -0.008 0.000 0.876 684 E N 2.158 122.325 120.200 -0.055 0.000 2.829 684 E HA -0.085 4.280 4.350 0.024 0.000 0.264 684 E C -0.770 175.817 176.600 -0.021 0.000 0.922 684 E CA 0.182 56.557 56.400 -0.042 0.000 0.960 684 E CB -0.051 29.636 29.700 -0.022 0.000 0.918 684 E HN 0.280 nan 8.360 nan 0.000 0.497 685 L N 4.779 125.985 121.223 -0.027 0.000 2.296 685 L HA 0.530 4.884 4.340 0.024 0.000 0.286 685 L C -2.101 174.779 176.870 0.017 0.000 1.023 685 L CA -2.252 52.594 54.840 0.010 0.000 0.812 685 L CB 0.753 42.823 42.059 0.020 0.000 1.223 685 L HN 0.411 nan 8.230 nan 0.000 0.421 686 P HA 0.104 nan 4.420 nan 0.000 0.270 686 P C -0.937 176.379 177.300 0.027 0.000 1.227 686 P CA -0.376 62.743 63.100 0.032 0.000 0.788 686 P CB 0.477 32.203 31.700 0.043 0.000 0.926 687 Q N 1.063 120.876 119.800 0.021 0.000 2.241 687 Q HA 0.416 4.771 4.340 0.024 0.000 0.254 687 Q C -2.157 173.857 176.000 0.023 0.000 0.917 687 Q CA -1.651 54.163 55.803 0.018 0.000 0.919 687 Q CB 0.476 29.220 28.738 0.010 0.000 1.237 687 Q HN 0.325 nan 8.270 nan 0.000 0.434 688 P HA 0.140 nan 4.420 nan 0.000 0.287 688 P C -1.170 176.145 177.300 0.024 0.000 1.281 688 P CA -0.407 62.711 63.100 0.030 0.000 0.781 688 P CB 0.945 32.667 31.700 0.036 0.000 0.903 689 E N 1.967 122.182 120.200 0.024 0.000 2.104 689 E HA 0.359 4.723 4.350 0.024 0.000 0.278 689 E C -0.052 176.563 176.600 0.025 0.000 1.127 689 E CA -0.063 56.349 56.400 0.021 0.000 0.897 689 E CB 0.245 29.956 29.700 0.019 0.000 1.043 689 E HN 0.568 nan 8.360 nan 0.000 0.410 690 S N 1.286 117.001 115.700 0.025 0.000 3.135 690 S HA 0.137 4.621 4.470 0.024 0.000 0.221 690 S C -0.764 173.856 174.600 0.033 0.000 0.534 690 S CA -0.286 57.932 58.200 0.030 0.000 0.724 690 S CB -0.527 62.693 63.200 0.033 0.000 0.890 690 S HN 0.705 nan 8.310 nan 0.000 0.669 691 A N 2.946 125.786 122.820 0.035 0.000 2.429 691 A HA 0.799 5.133 4.320 0.024 0.000 0.242 691 A C 1.530 179.143 177.584 0.049 0.000 1.088 691 A CA 0.958 53.017 52.037 0.036 0.000 0.784 691 A CB -0.827 18.197 19.000 0.039 0.000 1.038 691 A HN 2.847 nan 8.150 nan 0.000 0.501 692 G N -0.842 107.985 108.800 0.046 0.000 2.408 692 G HA2 0.381 4.355 3.960 0.024 0.000 0.682 692 G HA3 0.381 4.355 3.960 0.024 0.000 0.682 692 G C -0.825 174.096 174.900 0.036 0.000 1.303 692 G CA -0.012 45.126 45.100 0.064 0.000 0.966 692 G HN 1.310 nan 8.290 nan 0.000 0.560 693 Q N -0.549 119.284 119.800 0.055 0.000 2.271 693 Q HA 0.749 5.103 4.340 0.024 0.000 0.258 693 Q C -0.223 175.776 176.000 -0.003 0.000 0.936 693 Q CA -0.590 55.178 55.803 -0.058 0.000 0.909 693 Q CB 1.289 29.929 28.738 -0.162 0.000 1.253 693 Q HN 0.621 nan 8.270 nan 0.000 0.440 694 L N 4.075 125.228 121.223 -0.116 0.000 2.334 694 L HA 0.518 4.872 4.340 0.024 0.000 0.277 694 L C -0.919 175.848 176.870 -0.171 0.000 1.075 694 L CA -0.459 54.376 54.840 -0.010 0.000 0.804 694 L CB 0.846 42.903 42.059 -0.003 0.000 1.174 694 L HN 0.708 nan 8.230 nan 0.000 0.438 695 W N 4.224 125.585 121.300 0.102 0.000 2.839 695 W HA 0.485 5.160 4.660 0.024 0.000 0.334 695 W C -0.856 175.770 176.519 0.179 0.000 1.064 695 W CA -0.503 56.926 57.345 0.139 0.000 1.236 695 W CB 1.707 31.272 29.460 0.174 0.000 1.405 695 W HN 0.118 nan 8.180 nan 0.000 0.478 696 L N 3.758 125.258 121.223 0.462 0.000 2.295 696 L HA 0.788 5.143 4.340 0.024 0.000 0.285 696 L C -0.279 176.890 176.870 0.499 0.000 1.035 696 L CA 0.264 55.368 54.840 0.439 0.000 0.806 696 L CB 1.204 43.480 42.059 0.361 0.000 1.214 696 L HN 0.340 nan 8.230 nan 0.000 0.426 697 T N 4.880 119.676 114.554 0.403 0.000 2.861 697 T HA 0.687 5.051 4.350 0.024 0.000 0.287 697 T C -0.889 174.003 174.700 0.319 0.000 1.003 697 T CA -0.470 61.823 62.100 0.323 0.000 0.977 697 T CB 1.648 70.654 68.868 0.230 0.000 0.996 697 T HN 0.656 nan 8.240 nan 0.000 0.448 698 V N 1.074 121.142 119.914 0.257 0.000 2.709 698 V HA 0.841 4.975 4.120 0.024 0.000 0.308 698 V C -1.111 175.073 176.094 0.150 0.000 1.062 698 V CA -1.066 61.351 62.300 0.195 0.000 0.901 698 V CB 2.076 33.973 31.823 0.124 0.000 1.003 698 V HN 0.840 nan 8.190 nan 0.000 0.425 699 R N 2.861 123.487 120.500 0.211 0.000 2.744 699 R HA 0.767 5.122 4.340 0.024 0.000 0.279 699 R C -1.608 174.842 176.300 0.251 0.000 0.977 699 R CA -0.840 55.418 56.100 0.264 0.000 0.906 699 R CB 2.634 33.062 30.300 0.213 0.000 1.197 699 R HN 0.643 nan 8.270 nan 0.000 0.463 700 V N 2.844 122.942 119.914 0.307 0.000 2.370 700 V HA 0.312 4.447 4.120 0.024 0.000 0.279 700 V C -0.091 176.142 176.094 0.232 0.000 1.029 700 V CA -0.590 61.863 62.300 0.255 0.000 0.870 700 V CB 1.717 33.706 31.823 0.276 0.000 0.984 700 V HN 0.424 nan 8.190 nan 0.000 0.451 701 V N 5.137 125.155 119.914 0.173 0.000 2.628 701 V HA 0.405 4.540 4.120 0.024 0.000 0.306 701 V C -0.210 175.973 176.094 0.148 0.000 1.045 701 V CA -0.743 61.646 62.300 0.147 0.000 0.905 701 V CB 2.103 33.984 31.823 0.097 0.000 0.997 701 V HN 0.876 nan 8.190 nan 0.000 0.436 702 Q N 5.475 125.375 119.800 0.168 0.000 2.421 702 Q HA 0.256 4.611 4.340 0.024 0.000 0.242 702 Q C -1.695 174.351 176.000 0.077 0.000 1.024 702 Q CA -1.750 54.139 55.803 0.144 0.000 0.891 702 Q CB 1.750 30.596 28.738 0.180 0.000 1.222 702 Q HN 0.492 nan 8.270 nan 0.000 0.483 703 P HA -0.165 nan 4.420 nan 0.000 0.217 703 P C -0.554 176.752 177.300 0.010 0.000 1.151 703 P CA 1.133 64.253 63.100 0.033 0.000 0.828 703 P CB 0.358 32.078 31.700 0.034 0.000 0.788 704 N N -0.423 118.277 118.700 0.000 0.000 2.456 704 N HA 0.459 5.213 4.740 0.024 0.000 0.296 704 N C -0.346 175.120 175.510 -0.072 0.000 1.102 704 N CA -0.761 52.273 53.050 -0.028 0.000 0.924 704 N CB 1.117 39.589 38.487 -0.024 0.000 1.186 704 N HN -0.042 nan 8.380 nan 0.000 0.492 705 A N 0.724 123.490 122.820 -0.090 0.000 2.386 705 A HA 0.460 4.795 4.320 0.024 0.000 0.248 705 A C 0.647 178.104 177.584 -0.213 0.000 1.082 705 A CA -0.098 51.848 52.037 -0.152 0.000 0.789 705 A CB 0.065 19.001 19.000 -0.106 0.000 1.025 705 A HN 0.728 nan 8.150 nan 0.000 0.490 706 T N -2.639 111.696 114.554 -0.365 0.000 2.718 706 T HA 0.631 4.995 4.350 0.024 0.000 0.267 706 T C 1.031 175.560 174.700 -0.285 0.000 0.957 706 T CA 0.115 61.981 62.100 -0.391 0.000 1.025 706 T CB 0.973 69.368 68.868 -0.789 0.000 1.355 706 T HN 1.270 nan 8.240 nan 0.000 0.572 707 A N -0.291 122.439 122.820 -0.150 0.000 2.066 707 A HA 0.155 4.489 4.320 0.024 0.000 0.218 707 A C 1.715 179.415 177.584 0.193 0.000 1.157 707 A CA 0.872 52.945 52.037 0.059 0.000 0.670 707 A CB -0.827 18.267 19.000 0.157 0.000 0.804 707 A HN 0.899 nan 8.150 nan 0.000 0.453 708 W N -0.604 120.759 121.300 0.105 0.000 2.870 708 W HA 0.397 5.072 4.660 0.025 0.000 0.358 708 W C -0.192 176.311 176.519 -0.028 0.000 1.043 708 W CA 0.542 57.919 57.345 0.053 0.000 1.692 708 W CB -0.982 28.494 29.460 0.026 0.000 1.100 708 W HN 0.385 nan 8.180 nan 0.000 0.557 709 S N -0.027 115.214 115.700 -0.764 0.000 2.579 709 S HA 0.486 4.970 4.470 0.024 0.000 0.272 709 S C -0.992 173.391 174.600 -0.361 0.000 1.141 709 S CA -0.767 57.064 58.200 -0.616 0.000 0.843 709 S CB 2.817 65.258 63.200 -1.265 0.000 1.122 709 S HN 0.102 nan 8.310 nan 0.000 0.468 710 E N 0.413 120.521 120.200 -0.154 0.000 2.280 710 E HA 0.622 4.986 4.350 0.024 0.000 0.264 710 E C 0.182 176.749 176.600 -0.054 0.000 1.064 710 E CA -1.001 55.347 56.400 -0.086 0.000 0.900 710 E CB 1.365 31.055 29.700 -0.017 0.000 1.123 710 E HN 0.884 nan 8.360 nan 0.000 0.418 711 A N 0.442 123.236 122.820 -0.042 0.000 2.561 711 A HA 0.345 4.679 4.320 0.024 0.000 0.234 711 A C 1.128 178.722 177.584 0.016 0.000 1.055 711 A CA 0.906 52.933 52.037 -0.017 0.000 0.756 711 A CB -0.576 18.414 19.000 -0.017 0.000 0.986 711 A HN 0.825 nan 8.150 nan 0.000 0.505 712 G N 0.502 109.323 108.800 0.035 0.000 2.179 712 G HA2 -0.262 3.713 3.960 0.024 0.000 0.260 712 G HA3 -0.262 3.713 3.960 0.024 0.000 0.260 712 G C 0.216 175.155 174.900 0.066 0.000 0.977 712 G CA 0.791 45.913 45.100 0.037 0.000 0.641 712 G HN 1.879 nan 8.290 nan 0.000 0.533 713 H N 0.513 119.594 119.070 0.018 0.000 3.034 713 H HA 0.443 5.013 4.556 0.024 0.000 0.324 713 H C 0.722 176.131 175.328 0.135 0.000 1.015 713 H CA 0.246 56.332 56.048 0.064 0.000 1.429 713 H CB 0.199 29.979 29.762 0.030 0.000 1.429 713 H HN 0.300 nan 8.280 nan 0.000 0.585 714 I N 4.719 125.042 120.570 -0.413 0.000 2.331 714 I HA 0.041 4.226 4.170 0.024 0.000 0.292 714 I C 0.874 176.873 176.117 -0.197 0.000 0.998 714 I CA 0.030 61.236 61.300 -0.158 0.000 1.267 714 I CB 1.588 39.547 38.000 -0.069 0.000 1.386 714 I HN 0.812 nan 8.210 nan 0.000 0.476 715 S N 4.164 120.006 115.700 0.236 0.000 2.512 715 S HA 0.591 5.075 4.470 0.024 0.000 0.216 715 S C 0.375 175.289 174.600 0.523 0.000 1.006 715 S CA 0.017 58.512 58.200 0.493 0.000 0.915 715 S CB 0.614 64.214 63.200 0.665 0.000 0.824 715 S HN 0.742 nan 8.310 nan 0.000 0.497 716 A N 0.372 123.537 122.820 0.574 0.000 2.597 716 A HA 0.640 4.974 4.320 0.024 0.000 0.292 716 A C -1.765 176.223 177.584 0.673 0.000 1.057 716 A CA -0.830 51.506 52.037 0.499 0.000 0.674 716 A CB 0.175 19.504 19.000 0.549 0.000 1.278 716 A HN 0.958 nan 8.150 nan 0.000 0.416 717 W N -0.315 121.169 121.300 0.308 0.000 2.988 717 W HA 0.835 5.510 4.660 0.025 0.000 0.355 717 W C -1.083 175.489 176.519 0.089 0.000 1.233 717 W CA -0.648 56.765 57.345 0.112 0.000 1.176 717 W CB 1.145 30.629 29.460 0.039 0.000 1.477 717 W HN 1.121 nan 8.180 nan 0.000 0.582 718 Q N 0.894 120.757 119.800 0.105 0.000 2.666 718 Q HA 0.397 4.752 4.340 0.024 0.000 0.276 718 Q C -1.753 174.085 176.000 -0.269 0.000 0.952 718 Q CA -0.445 55.249 55.803 -0.182 0.000 0.850 718 Q CB 2.193 30.655 28.738 -0.460 0.000 1.512 718 Q HN 0.623 nan 8.270 nan 0.000 0.395 719 Q N 1.299 120.859 119.800 -0.401 0.000 2.456 719 Q HA 0.656 5.011 4.340 0.024 0.000 0.283 719 Q C -1.294 174.540 176.000 -0.276 0.000 1.084 719 Q CA -0.687 55.043 55.803 -0.121 0.000 0.801 719 Q CB 2.212 31.062 28.738 0.188 0.000 1.434 719 Q HN 0.663 nan 8.270 nan 0.000 0.419 720 W N 0.725 122.194 121.300 0.283 0.000 3.083 720 W HA 0.473 5.148 4.660 0.024 0.000 0.333 720 W C -0.488 176.025 176.519 -0.010 0.000 1.217 720 W CA -0.700 56.733 57.345 0.147 0.000 1.170 720 W CB 1.620 31.117 29.460 0.061 0.000 1.437 720 W HN 0.403 nan 8.180 nan 0.000 0.557 721 R N 1.585 122.051 120.500 -0.057 0.000 2.254 721 R HA 0.482 4.837 4.340 0.024 0.000 0.318 721 R C 0.467 176.625 176.300 -0.237 0.000 1.031 721 R CA -0.237 55.537 56.100 -0.543 0.000 0.905 721 R CB 1.174 31.083 30.300 -0.652 0.000 1.050 721 R HN 0.276 nan 8.270 nan 0.000 0.456 722 L N 1.470 122.554 121.223 -0.232 0.000 2.812 722 L HA 0.534 4.889 4.340 0.024 0.000 0.172 722 L C 0.798 177.576 176.870 -0.153 0.000 1.892 722 L CA -0.928 53.833 54.840 -0.131 0.000 2.525 722 L CB -0.218 41.797 42.059 -0.073 0.000 2.930 722 L HN 0.572 nan 8.230 nan 0.000 0.625 723 A N 0.132 122.888 122.820 -0.106 0.000 2.406 723 A HA 0.226 4.560 4.320 0.024 0.000 0.243 723 A C -0.275 177.242 177.584 -0.112 0.000 1.082 723 A CA 0.197 52.178 52.037 -0.094 0.000 0.786 723 A CB 0.210 19.174 19.000 -0.060 0.000 1.029 723 A HN 0.634 nan 8.150 nan 0.000 0.495 724 E N 0.487 120.632 120.200 -0.092 0.000 2.272 724 E HA 0.322 4.687 4.350 0.024 0.000 0.269 724 E C -1.596 174.980 176.600 -0.040 0.000 0.877 724 E CA -0.697 55.655 56.400 -0.080 0.000 0.755 724 E CB 1.022 30.664 29.700 -0.096 0.000 1.192 724 E HN 0.711 nan 8.360 nan 0.000 0.422 725 N N 5.368 124.056 118.700 -0.020 0.000 2.569 725 N HA 0.257 5.012 4.740 0.024 0.000 0.254 725 N C -0.351 175.162 175.510 0.006 0.000 1.004 725 N CA -0.386 52.661 53.050 -0.005 0.000 0.904 725 N CB 1.299 39.788 38.487 0.003 0.000 1.165 725 N HN 0.468 nan 8.380 nan 0.000 0.513 726 L N 0.815 122.041 121.223 0.005 0.000 2.506 726 L HA 0.013 4.368 4.340 0.024 0.000 0.281 726 L C 1.354 178.237 176.870 0.022 0.000 1.228 726 L CA 0.416 55.265 54.840 0.016 0.000 0.850 726 L CB 0.273 42.340 42.059 0.014 0.000 1.110 726 L HN 0.393 nan 8.230 nan 0.000 0.496 727 S N 1.383 117.101 115.700 0.031 0.000 2.528 727 S HA 0.268 4.753 4.470 0.024 0.000 0.277 727 S C 0.459 175.076 174.600 0.028 0.000 1.297 727 S CA -0.764 57.455 58.200 0.032 0.000 1.052 727 S CB 0.903 64.127 63.200 0.041 0.000 0.917 727 S HN 0.469 nan 8.310 nan 0.000 0.492 728 V N 2.350 122.277 119.914 0.023 0.000 3.159 728 V HA 0.379 4.513 4.120 0.024 0.000 0.333 728 V C 0.421 176.526 176.094 0.019 0.000 1.424 728 V CA 0.014 62.325 62.300 0.019 0.000 1.125 728 V CB -0.478 31.354 31.823 0.015 0.000 1.075 728 V HN 0.833 nan 8.190 nan 0.000 0.482 729 T N -0.183 114.384 114.554 0.022 0.000 2.806 729 T HA 0.690 5.054 4.350 0.024 0.000 0.290 729 T C -0.408 174.304 174.700 0.020 0.000 0.966 729 T CA -0.382 61.730 62.100 0.020 0.000 1.060 729 T CB 1.771 70.651 68.868 0.020 0.000 0.927 729 T HN 0.227 nan 8.240 nan 0.000 0.485 730 L N 6.206 127.438 121.223 0.015 0.000 2.369 730 L HA 0.263 4.618 4.340 0.024 0.000 0.279 730 L C -0.835 176.041 176.870 0.011 0.000 1.108 730 L CA -1.355 53.492 54.840 0.013 0.000 0.852 730 L CB 0.471 42.535 42.059 0.008 0.000 1.169 730 L HN 0.614 nan 8.230 nan 0.000 0.452 731 P HA -0.348 nan 4.420 nan 0.000 0.227 731 P C -0.290 177.010 177.300 -0.000 0.000 1.106 731 P CA 1.787 64.895 63.100 0.012 0.000 0.998 731 P CB -0.088 31.620 31.700 0.012 0.000 0.769 732 A N -3.188 119.624 122.820 -0.012 0.000 2.421 732 A HA 0.422 4.757 4.320 0.024 0.000 0.682 732 A C 0.190 177.740 177.584 -0.056 0.000 0.138 732 A CA -0.580 51.440 52.037 -0.029 0.000 0.048 732 A CB -1.629 17.353 19.000 -0.030 0.000 3.950 732 A HN 0.621 nan 8.150 nan 0.000 0.546 733 A N 2.869 125.656 122.820 -0.054 0.000 2.608 733 A HA 0.478 4.812 4.320 0.024 0.000 0.239 733 A C 1.128 178.625 177.584 -0.144 0.000 1.018 733 A CA 1.179 53.174 52.037 -0.070 0.000 0.766 733 A CB -0.248 18.723 19.000 -0.047 0.000 0.928 733 A HN 2.408 nan 8.150 nan 0.000 0.512 734 S N 2.061 117.682 115.700 -0.131 0.000 2.554 734 S HA 0.413 4.898 4.470 0.024 0.000 0.278 734 S C 0.754 175.266 174.600 -0.147 0.000 1.242 734 S CA -0.030 58.049 58.200 -0.202 0.000 1.051 734 S CB 0.420 63.564 63.200 -0.093 0.000 0.986 734 S HN 0.721 nan 8.310 nan 0.000 0.502 735 H N 2.719 121.802 119.070 0.023 0.000 2.254 735 H HA 0.123 4.693 4.556 0.024 0.000 0.294 735 H C 1.289 176.631 175.328 0.023 0.000 1.071 735 H CA 1.664 57.725 56.048 0.021 0.000 1.228 735 H CB -0.452 29.322 29.762 0.021 0.000 1.358 735 H HN 0.868 nan 8.280 nan 0.000 0.495 736 A N 0.704 123.630 122.820 0.178 0.000 2.279 736 A HA 0.513 4.848 4.320 0.024 0.000 0.303 736 A C -0.292 177.337 177.584 0.074 0.000 1.108 736 A CA -0.527 51.576 52.037 0.111 0.000 0.830 736 A CB 0.286 19.351 19.000 0.109 0.000 1.106 736 A HN 0.383 nan 8.150 nan 0.000 0.493 737 I N 1.280 121.890 120.570 0.066 0.000 2.474 737 I HA 0.600 4.785 4.170 0.024 0.000 0.294 737 I C -2.395 173.763 176.117 0.068 0.000 1.005 737 I CA -2.319 59.011 61.300 0.049 0.000 1.113 737 I CB 2.184 40.206 38.000 0.037 0.000 1.289 737 I HN 0.428 nan 8.210 nan 0.000 0.436 738 P HA 0.102 nan 4.420 nan 0.000 0.272 738 P C -1.383 175.970 177.300 0.087 0.000 1.223 738 P CA 0.157 63.299 63.100 0.069 0.000 0.784 738 P CB 0.445 32.125 31.700 -0.033 0.000 0.923 739 H N 2.422 121.521 119.070 0.049 0.000 2.459 739 H HA 0.367 4.938 4.556 0.024 0.000 0.332 739 H C -1.212 174.142 175.328 0.044 0.000 1.094 739 H CA -0.921 55.149 56.048 0.037 0.000 1.224 739 H CB 1.398 31.185 29.762 0.042 0.000 1.449 739 H HN 0.238 nan 8.280 nan 0.000 0.484 740 L N 5.305 126.015 121.223 -0.854 0.000 2.255 740 L HA 0.247 4.602 4.340 0.024 0.000 0.289 740 L C -0.498 176.017 176.870 -0.592 0.000 1.046 740 L CA -0.162 54.351 54.840 -0.545 0.000 0.816 740 L CB 0.983 42.849 42.059 -0.323 0.000 1.197 740 L HN 0.565 nan 8.230 nan 0.000 0.427 741 T N 2.942 117.422 114.554 -0.122 0.000 2.811 741 T HA 0.332 4.696 4.350 0.024 0.000 0.309 741 T C 0.468 175.252 174.700 0.140 0.000 1.005 741 T CA -0.438 61.730 62.100 0.113 0.000 0.955 741 T CB 0.172 69.172 68.868 0.221 0.000 0.970 741 T HN 0.639 nan 8.240 nan 0.000 0.496 742 T N 2.740 117.375 114.554 0.135 0.000 2.754 742 T HA 0.593 4.957 4.350 0.024 0.000 0.286 742 T C 0.479 175.252 174.700 0.121 0.000 0.997 742 T CA -0.567 61.663 62.100 0.217 0.000 0.982 742 T CB 0.963 69.970 68.868 0.232 0.000 1.027 742 T HN 0.735 nan 8.240 nan 0.000 0.529 743 S N -1.045 114.688 115.700 0.056 0.000 2.611 743 S HA 0.211 4.695 4.470 0.024 0.000 0.270 743 S C 0.508 175.063 174.600 -0.076 0.000 1.131 743 S CA -0.690 57.508 58.200 -0.004 0.000 0.826 743 S CB 1.100 64.301 63.200 0.002 0.000 1.095 743 S HN 0.610 nan 8.310 nan 0.000 0.461 744 E N 0.650 120.817 120.200 -0.055 0.000 2.058 744 E HA -0.151 4.214 4.350 0.024 0.000 0.194 744 E C 1.277 177.801 176.600 -0.126 0.000 0.997 744 E CA 1.961 58.316 56.400 -0.074 0.000 0.801 744 E CB -0.260 29.416 29.700 -0.040 0.000 0.746 744 E HN 0.688 nan 8.360 nan 0.000 0.450 745 M N -0.243 119.293 119.600 -0.107 0.000 2.441 745 M HA 0.194 4.689 4.480 0.024 0.000 0.244 745 M C -0.319 175.891 176.300 -0.150 0.000 1.122 745 M CA 0.483 55.719 55.300 -0.106 0.000 1.041 745 M CB 0.666 33.242 32.600 -0.041 0.000 1.438 745 M HN -0.270 nan 8.290 nan 0.000 0.484 746 D N -0.842 119.437 120.400 -0.201 0.000 2.706 746 D HA 0.327 4.981 4.640 0.024 0.000 0.225 746 D C -1.439 174.761 176.300 -0.167 0.000 1.241 746 D CA -0.315 53.580 54.000 -0.175 0.000 0.784 746 D CB 1.829 42.642 40.800 0.020 0.000 1.521 746 D HN -0.004 nan 8.370 nan 0.000 0.461 747 F N 0.896 120.919 119.950 0.122 0.000 2.415 747 F HA 0.416 4.958 4.527 0.024 0.000 0.348 747 F C 0.469 176.386 175.800 0.195 0.000 1.119 747 F CA -0.609 57.451 58.000 0.100 0.000 1.069 747 F CB 1.245 40.264 39.000 0.032 0.000 1.124 747 F HN 0.034 nan 8.300 nan 0.000 0.472 748 C N 4.391 123.902 119.300 0.351 0.000 2.493 748 C HA 0.775 5.250 4.460 0.024 0.000 0.326 748 C C -0.370 174.779 174.990 0.265 0.000 1.200 748 C CA -0.771 58.434 59.018 0.312 0.000 1.739 748 C CB 1.374 29.242 27.740 0.214 0.000 2.300 748 C HN 0.617 nan 8.230 nan 0.000 0.500 749 I N 2.463 123.243 120.570 0.349 0.000 2.569 749 I HA 0.436 4.620 4.170 0.024 0.000 0.290 749 I C -0.566 175.837 176.117 0.477 0.000 1.088 749 I CA -0.022 61.463 61.300 0.308 0.000 1.047 749 I CB 1.820 39.921 38.000 0.169 0.000 1.237 749 I HN 0.624 nan 8.210 nan 0.000 0.421 750 E N 5.795 126.218 120.200 0.371 0.000 2.312 750 E HA 0.805 5.169 4.350 0.024 0.000 0.267 750 E C -1.258 175.553 176.600 0.351 0.000 0.894 750 E CA -0.783 55.828 56.400 0.353 0.000 0.773 750 E CB 2.936 32.755 29.700 0.199 0.000 1.241 750 E HN 0.461 nan 8.360 nan 0.000 0.432 751 L N 2.242 123.676 121.223 0.351 0.000 2.588 751 L HA 0.484 4.839 4.340 0.024 0.000 0.256 751 L C 0.131 177.113 176.870 0.188 0.000 1.083 751 L CA 0.345 55.358 54.840 0.288 0.000 0.909 751 L CB 0.255 42.546 42.059 0.385 0.000 1.121 751 L HN 0.762 nan 8.230 nan 0.000 0.470 752 G N 3.450 112.315 108.800 0.108 0.000 2.536 752 G HA2 -0.402 3.573 3.960 0.024 0.000 0.280 752 G HA3 -0.402 3.573 3.960 0.024 0.000 0.280 752 G C 0.549 175.463 174.900 0.023 0.000 1.152 752 G CA 0.518 45.654 45.100 0.059 0.000 0.970 752 G HN 0.991 nan 8.290 nan 0.000 0.549 753 N N 1.549 120.250 118.700 0.002 0.000 2.412 753 N HA 0.087 4.841 4.740 0.024 0.000 0.184 753 N C 0.481 175.951 175.510 -0.067 0.000 1.101 753 N CA 1.062 54.093 53.050 -0.032 0.000 0.881 753 N CB 0.062 38.529 38.487 -0.034 0.000 0.969 753 N HN 0.772 nan 8.380 nan 0.000 0.459 754 K N 0.386 120.737 120.400 -0.082 0.000 2.156 754 K HA 0.401 4.735 4.320 0.024 0.000 0.271 754 K C -0.498 175.963 176.600 -0.231 0.000 0.995 754 K CA -0.639 55.482 56.287 -0.276 0.000 0.890 754 K CB 1.974 34.180 32.500 -0.490 0.000 1.073 754 K HN -0.008 nan 8.250 nan 0.000 0.454 755 R N 2.190 122.495 120.500 -0.325 0.000 2.628 755 R HA 0.385 4.740 4.340 0.024 0.000 0.288 755 R C -1.623 174.651 176.300 -0.042 0.000 0.980 755 R CA -0.516 55.583 56.100 -0.000 0.000 0.891 755 R CB 1.258 31.566 30.300 0.013 0.000 1.188 755 R HN 0.626 nan 8.270 nan 0.000 0.450 756 W N 3.717 125.143 121.300 0.209 0.000 2.702 756 W HA 0.359 5.034 4.660 0.024 0.000 0.331 756 W C -0.719 175.915 176.519 0.191 0.000 1.049 756 W CA -0.700 56.723 57.345 0.129 0.000 1.230 756 W CB 2.270 31.808 29.460 0.129 0.000 1.408 756 W HN 0.454 nan 8.180 nan 0.000 0.492 757 Q N 2.589 122.545 119.800 0.261 0.000 2.340 757 Q HA 0.454 4.808 4.340 0.024 0.000 0.268 757 Q C -1.969 174.020 176.000 -0.018 0.000 1.031 757 Q CA -0.538 55.417 55.803 0.254 0.000 0.804 757 Q CB 1.724 30.664 28.738 0.337 0.000 1.286 757 Q HN 0.371 nan 8.270 nan 0.000 0.448 758 F N 2.876 122.918 119.950 0.153 0.000 2.427 758 F HA 0.299 4.841 4.527 0.024 0.000 0.348 758 F C 0.515 176.350 175.800 0.059 0.000 1.125 758 F CA -0.890 57.168 58.000 0.097 0.000 0.989 758 F CB 1.298 40.355 39.000 0.095 0.000 1.165 758 F HN 0.483 nan 8.300 nan 0.000 0.442 759 N N 3.895 122.701 118.700 0.177 0.000 2.431 759 N HA 0.042 4.797 4.740 0.024 0.000 0.265 759 N C 0.937 176.482 175.510 0.060 0.000 1.184 759 N CA 0.028 53.139 53.050 0.102 0.000 0.943 759 N CB 0.716 39.268 38.487 0.109 0.000 1.080 759 N HN 0.701 nan 8.380 nan 0.000 0.477 760 R N 2.427 122.888 120.500 -0.066 0.000 2.235 760 R HA -0.110 4.245 4.340 0.024 0.000 0.213 760 R C 1.398 177.651 176.300 -0.078 0.000 1.059 760 R CA 0.588 56.602 56.100 -0.144 0.000 0.997 760 R CB 0.085 30.153 30.300 -0.388 0.000 0.884 760 R HN 0.545 nan 8.270 nan 0.000 0.462 761 Q N 1.158 120.940 119.800 -0.029 0.000 2.020 761 Q HA -0.103 4.251 4.340 0.024 0.000 0.198 761 Q C 2.202 178.207 176.000 0.009 0.000 0.974 761 Q CA 2.261 58.057 55.803 -0.011 0.000 0.829 761 Q CB 0.005 28.755 28.738 0.020 0.000 0.894 761 Q HN 0.333 nan 8.270 nan 0.000 0.433 762 S N -1.994 113.753 115.700 0.078 0.000 2.395 762 S HA 0.145 4.629 4.470 0.024 0.000 0.225 762 S C 1.577 176.189 174.600 0.019 0.000 1.027 762 S CA 0.916 59.221 58.200 0.175 0.000 0.965 762 S CB -0.083 63.363 63.200 0.411 0.000 0.812 762 S HN 0.679 nan 8.310 nan 0.000 0.482 763 G N 0.143 108.938 108.800 -0.009 0.000 2.176 763 G HA2 -0.202 3.772 3.960 0.024 0.000 0.253 763 G HA3 -0.202 3.772 3.960 0.024 0.000 0.253 763 G C -0.072 174.789 174.900 -0.065 0.000 0.979 763 G CA 0.230 45.276 45.100 -0.091 0.000 0.641 763 G HN 0.542 nan 8.290 nan 0.000 0.530 764 F N -0.684 119.473 119.950 0.344 0.000 2.522 764 F HA 0.643 5.184 4.527 0.024 0.000 0.324 764 F C 0.558 176.398 175.800 0.065 0.000 1.077 764 F CA -1.325 56.827 58.000 0.252 0.000 0.944 764 F CB 1.593 40.695 39.000 0.170 0.000 1.175 764 F HN 0.030 nan 8.300 nan 0.000 0.468 765 L N 2.394 123.650 121.223 0.055 0.000 2.678 765 L HA 0.122 4.476 4.340 0.024 0.000 0.276 765 L C 0.843 177.586 176.870 -0.211 0.000 1.142 765 L CA 0.537 55.029 54.840 -0.579 0.000 0.961 765 L CB -0.088 41.505 42.059 -0.776 0.000 1.291 765 L HN 0.697 nan 8.230 nan 0.000 0.476 766 S N 2.486 118.084 115.700 -0.171 0.000 2.395 766 S HA 0.034 4.519 4.470 0.024 0.000 0.225 766 S C 0.628 175.113 174.600 -0.192 0.000 1.027 766 S CA 0.563 58.709 58.200 -0.090 0.000 0.965 766 S CB -0.179 63.013 63.200 -0.013 0.000 0.812 766 S HN 0.737 nan 8.310 nan 0.000 0.482 767 Q N -0.543 119.088 119.800 -0.283 0.000 2.575 767 Q HA 0.675 5.029 4.340 0.024 0.000 0.290 767 Q C -2.080 173.590 176.000 -0.550 0.000 0.963 767 Q CA -0.442 55.070 55.803 -0.485 0.000 0.783 767 Q CB 1.295 29.619 28.738 -0.690 0.000 1.467 767 Q HN 0.287 nan 8.270 nan 0.000 0.402 768 M N 1.145 120.304 119.600 -0.735 0.000 2.421 768 M HA 0.548 5.042 4.480 0.024 0.000 0.287 768 M C -1.514 174.408 176.300 -0.630 0.000 1.183 768 M CA -0.469 54.486 55.300 -0.576 0.000 0.916 768 M CB 2.309 34.543 32.600 -0.610 0.000 1.701 768 M HN 0.475 nan 8.290 nan 0.000 0.470 769 W N 3.288 124.371 121.300 -0.362 0.000 2.785 769 W HA 0.625 5.299 4.660 0.024 0.000 0.333 769 W C -1.292 175.045 176.519 -0.303 0.000 1.062 769 W CA -0.641 56.545 57.345 -0.264 0.000 1.233 769 W CB 1.744 31.085 29.460 -0.198 0.000 1.413 769 W HN 0.494 nan 8.180 nan 0.000 0.489 770 I N 3.287 123.853 120.570 -0.006 0.000 2.355 770 I HA 0.374 4.558 4.170 0.024 0.000 0.288 770 I C 0.932 177.041 176.117 -0.012 0.000 0.999 770 I CA 0.170 61.426 61.300 -0.073 0.000 1.163 770 I CB 1.047 38.974 38.000 -0.122 0.000 1.316 770 I HN 0.723 nan 8.210 nan 0.000 0.454 771 G N 6.330 115.119 108.800 -0.019 0.000 2.583 771 G HA2 -0.311 3.663 3.960 0.024 0.000 0.292 771 G HA3 -0.311 3.663 3.960 0.024 0.000 0.292 771 G C 0.401 175.320 174.900 0.032 0.000 1.203 771 G CA 0.499 45.593 45.100 -0.010 0.000 0.987 771 G HN 0.831 nan 8.290 nan 0.000 0.554 772 D N 0.507 120.933 120.400 0.044 0.000 2.388 772 D HA 0.230 4.884 4.640 0.024 0.000 0.221 772 D C 0.199 176.601 176.300 0.170 0.000 1.133 772 D CA 0.032 54.089 54.000 0.095 0.000 0.831 772 D CB 0.343 41.163 40.800 0.033 0.000 0.962 772 D HN 0.135 nan 8.370 nan 0.000 0.502 773 K N 1.342 121.819 120.400 0.129 0.000 2.240 773 K HA 0.334 4.669 4.320 0.024 0.000 0.271 773 K C -0.191 176.381 176.600 -0.048 0.000 1.018 773 K CA -0.759 55.556 56.287 0.046 0.000 0.874 773 K CB 1.882 34.370 32.500 -0.019 0.000 1.098 773 K HN -0.089 nan 8.250 nan 0.000 0.458 774 K N 1.647 121.940 120.400 -0.177 0.000 2.414 774 K HA 0.007 4.342 4.320 0.024 0.000 0.272 774 K C 1.064 177.462 176.600 -0.337 0.000 0.993 774 K CA 0.390 56.372 56.287 -0.508 0.000 0.964 774 K CB 0.554 32.818 32.500 -0.393 0.000 0.925 774 K HN 0.315 nan 8.250 nan 0.000 0.487 775 Q N 1.295 120.868 119.800 -0.379 0.000 2.402 775 Q HA 0.212 4.566 4.340 0.024 0.000 0.231 775 Q C -0.094 175.841 176.000 -0.109 0.000 0.888 775 Q CA 0.543 56.252 55.803 -0.157 0.000 0.938 775 Q CB 0.491 29.184 28.738 -0.075 0.000 1.086 775 Q HN 0.469 nan 8.270 nan 0.000 0.543 776 L N 0.912 122.009 121.223 -0.212 0.000 2.331 776 L HA 0.372 4.727 4.340 0.024 0.000 0.275 776 L C 1.077 177.821 176.870 -0.209 0.000 1.022 776 L CA -0.352 54.374 54.840 -0.190 0.000 0.812 776 L CB 1.482 43.413 42.059 -0.214 0.000 1.257 776 L HN -0.031 nan 8.230 nan 0.000 0.435 777 L N 0.485 121.575 121.223 -0.221 0.000 2.470 777 L HA 0.206 4.561 4.340 0.024 0.000 0.219 777 L C 0.166 176.923 176.870 -0.190 0.000 1.071 777 L CA 0.715 55.432 54.840 -0.205 0.000 0.850 777 L CB 0.540 42.459 42.059 -0.234 0.000 1.040 777 L HN 0.630 nan 8.230 nan 0.000 0.475 778 T N -0.061 114.355 114.554 -0.231 0.000 2.912 778 T HA 0.395 4.760 4.350 0.024 0.000 0.299 778 T C -2.569 172.055 174.700 -0.126 0.000 1.052 778 T CA -1.119 60.888 62.100 -0.156 0.000 0.996 778 T CB 2.590 71.343 68.868 -0.192 0.000 1.070 778 T HN -0.261 nan 8.240 nan 0.000 0.465 779 P HA 0.176 nan 4.420 nan 0.000 0.271 779 P C -0.733 176.543 177.300 -0.041 0.000 1.238 779 P CA -0.675 62.391 63.100 -0.056 0.000 0.794 779 P CB 0.438 32.126 31.700 -0.021 0.000 0.959 780 L N 2.308 123.542 121.223 0.018 0.000 2.268 780 L HA 0.327 4.681 4.340 0.024 0.000 0.289 780 L C 0.030 176.915 176.870 0.025 0.000 1.064 780 L CA 0.165 55.060 54.840 0.090 0.000 0.824 780 L CB -0.400 41.803 42.059 0.239 0.000 1.202 780 L HN 0.309 nan 8.230 nan 0.000 0.433 781 R N 2.214 122.642 120.500 -0.120 0.000 2.795 781 R HA 0.604 4.958 4.340 0.024 0.000 0.275 781 R C -0.953 175.276 176.300 -0.120 0.000 0.981 781 R CA -1.053 54.844 56.100 -0.338 0.000 0.917 781 R CB 0.855 30.619 30.300 -0.893 0.000 1.202 781 R HN 0.442 nan 8.270 nan 0.000 0.469 782 D N 1.065 121.476 120.400 0.019 0.000 2.419 782 D HA -0.006 4.648 4.640 0.024 0.000 0.236 782 D C -0.488 175.470 176.300 -0.571 0.000 1.165 782 D CA 0.472 54.310 54.000 -0.269 0.000 0.882 782 D CB 0.586 41.156 40.800 -0.384 0.000 1.201 782 D HN 0.321 nan 8.370 nan 0.000 0.443 783 Q N 1.196 120.424 119.800 -0.954 0.000 2.263 783 Q HA 0.298 4.652 4.340 0.024 0.000 0.266 783 Q C -1.263 173.985 176.000 -1.253 0.000 1.002 783 Q CA -0.566 54.716 55.803 -0.868 0.000 0.790 783 Q CB 0.742 29.209 28.738 -0.451 0.000 1.272 783 Q HN 0.575 nan 8.270 nan 0.000 0.435 784 F N 0.755 120.295 119.950 -0.683 0.000 2.706 784 F HA 0.184 4.726 4.527 0.024 0.000 0.313 784 F C 0.791 176.122 175.800 -0.782 0.000 1.096 784 F CA -0.152 57.315 58.000 -0.889 0.000 1.219 784 F CB 1.496 39.599 39.000 -1.495 0.000 1.051 784 F HN 0.432 nan 8.300 nan 0.000 0.568 785 T N -0.783 113.464 114.554 -0.510 0.000 2.910 785 T HA 0.799 5.163 4.350 0.024 0.000 0.287 785 T C -0.566 173.894 174.700 -0.401 0.000 1.050 785 T CA -0.935 60.799 62.100 -0.610 0.000 1.011 785 T CB 2.768 71.197 68.868 -0.732 0.000 1.195 785 T HN 0.259 nan 8.240 nan 0.000 0.540 786 R N -0.374 119.954 120.500 -0.288 0.000 2.739 786 R HA 0.750 5.104 4.340 0.024 0.000 0.271 786 R C -1.115 175.254 176.300 0.114 0.000 1.010 786 R CA -1.189 54.862 56.100 -0.081 0.000 0.897 786 R CB 1.354 31.606 30.300 -0.081 0.000 1.236 786 R HN 0.863 nan 8.270 nan 0.000 0.466 787 A N 3.158 126.030 122.820 0.086 0.000 2.491 787 A HA 0.341 4.676 4.320 0.024 0.000 0.261 787 A C -2.060 175.609 177.584 0.142 0.000 1.101 787 A CA -1.425 50.663 52.037 0.086 0.000 0.772 787 A CB -0.358 18.633 19.000 -0.014 0.000 1.043 787 A HN 0.559 nan 8.150 nan 0.000 0.501 788 P HA 0.119 nan 4.420 nan 0.000 0.264 788 P C -0.234 177.207 177.300 0.236 0.000 1.193 788 P CA 0.347 63.623 63.100 0.295 0.000 0.763 788 P CB 0.363 32.274 31.700 0.352 0.000 0.810 789 L N 2.454 123.783 121.223 0.176 0.000 2.475 789 L HA 0.164 4.518 4.340 0.024 0.000 0.253 789 L C 1.763 178.684 176.870 0.086 0.000 1.198 789 L CA -0.428 54.452 54.840 0.066 0.000 0.814 789 L CB -0.014 42.011 42.059 -0.058 0.000 1.134 789 L HN 0.292 nan 8.230 nan 0.000 0.478 790 D N 0.291 120.695 120.400 0.006 0.000 2.144 790 D HA -0.148 4.506 4.640 0.024 0.000 0.199 790 D C 1.664 177.961 176.300 -0.005 0.000 0.984 790 D CA 1.242 55.211 54.000 -0.052 0.000 0.834 790 D CB 0.034 40.769 40.800 -0.107 0.000 0.955 790 D HN 0.467 nan 8.370 nan 0.000 0.465 791 N N 1.154 119.848 118.700 -0.011 0.000 2.166 791 N HA -0.120 4.635 4.740 0.024 0.000 0.186 791 N C 1.206 176.742 175.510 0.043 0.000 1.019 791 N CA 0.795 53.849 53.050 0.007 0.000 0.856 791 N CB -0.263 38.212 38.487 -0.020 0.000 0.993 791 N HN 0.269 nan 8.380 nan 0.000 0.426 792 D N 0.678 121.122 120.400 0.073 0.000 2.178 792 D HA -0.032 4.622 4.640 0.024 0.000 0.202 792 D C 2.058 178.400 176.300 0.069 0.000 0.974 792 D CA 0.491 54.557 54.000 0.109 0.000 0.841 792 D CB -0.041 40.914 40.800 0.258 0.000 0.953 792 D HN 0.343 nan 8.370 nan 0.000 0.478 793 I N 0.357 120.964 120.570 0.061 0.000 2.235 793 I HA 0.012 4.197 4.170 0.024 0.000 0.241 793 I C 1.870 177.983 176.117 -0.007 0.000 1.085 793 I CA 0.842 62.157 61.300 0.026 0.000 1.378 793 I CB -0.531 37.470 38.000 0.001 0.000 1.076 793 I HN 0.101 nan 8.210 nan 0.000 0.415 794 G N 1.010 109.813 108.800 0.005 0.000 2.527 794 G HA2 -0.317 3.657 3.960 0.024 0.000 0.268 794 G HA3 -0.317 3.657 3.960 0.024 0.000 0.268 794 G C 0.575 175.466 174.900 -0.014 0.000 1.175 794 G CA 0.627 45.739 45.100 0.020 0.000 0.962 794 G HN 0.566 nan 8.290 nan 0.000 0.560 795 V N -2.275 117.614 119.914 -0.043 0.000 3.596 795 V HA 0.608 4.743 4.120 0.024 0.000 0.289 795 V C 1.518 177.551 176.094 -0.102 0.000 1.336 795 V CA 1.348 63.578 62.300 -0.118 0.000 1.137 795 V CB 0.296 32.001 31.823 -0.197 0.000 0.966 795 V HN 1.598 nan 8.190 nan 0.000 0.428 796 S N 2.176 117.834 115.700 -0.071 0.000 3.068 796 S HA -0.043 4.441 4.470 0.024 0.000 0.358 796 S C 0.918 175.491 174.600 -0.046 0.000 1.007 796 S CA 0.454 58.621 58.200 -0.056 0.000 1.853 796 S CB -0.703 62.472 63.200 -0.041 0.000 1.250 796 S HN 0.851 nan 8.310 nan 0.000 0.639 797 E N 2.996 123.166 120.200 -0.049 0.000 3.365 797 E HA 0.553 4.917 4.350 0.024 0.000 0.512 797 E C 1.448 178.041 176.600 -0.012 0.000 0.257 797 E CA 0.038 56.418 56.400 -0.032 0.000 2.955 797 E CB -0.055 29.621 29.700 -0.040 0.000 2.314 797 E HN 0.539 nan 8.360 nan 0.000 0.394 798 A N 0.164 122.978 122.820 -0.009 0.000 1.935 798 A HA 0.026 4.361 4.320 0.024 0.000 0.202 798 A C 2.117 179.696 177.584 -0.008 0.000 1.772 798 A CA 0.805 52.842 52.037 0.000 0.000 1.013 798 A CB -0.859 18.149 19.000 0.013 0.000 1.077 798 A HN 0.466 nan 8.150 nan 0.000 0.565 799 T N -1.352 113.194 114.554 -0.013 0.000 2.720 799 T HA -0.081 4.284 4.350 0.024 0.000 0.268 799 T C 0.972 175.654 174.700 -0.029 0.000 1.037 799 T CA 1.565 63.654 62.100 -0.020 0.000 1.144 799 T CB -0.152 68.701 68.868 -0.025 0.000 0.864 799 T HN 0.307 nan 8.240 nan 0.000 0.444 800 R N 0.124 120.601 120.500 -0.038 0.000 2.564 800 R HA 0.421 4.776 4.340 0.024 0.000 0.284 800 R C 0.354 176.625 176.300 -0.047 0.000 1.031 800 R CA -0.760 55.312 56.100 -0.047 0.000 0.904 800 R CB 1.548 31.811 30.300 -0.062 0.000 1.199 800 R HN 0.178 nan 8.270 nan 0.000 0.443 801 I N 1.203 121.747 120.570 -0.043 0.000 2.951 801 I HA 0.009 4.193 4.170 0.024 0.000 0.203 801 I C 0.140 176.223 176.117 -0.057 0.000 1.047 801 I CA 1.250 62.524 61.300 -0.043 0.000 1.399 801 I CB -0.309 37.671 38.000 -0.035 0.000 1.246 801 I HN 0.785 nan 8.210 nan 0.000 0.411 802 D N -0.824 119.539 120.400 -0.062 0.000 2.906 802 D HA -0.052 4.602 4.640 0.024 0.000 0.160 802 D C -2.163 174.083 176.300 -0.090 0.000 1.124 802 D CA -0.363 53.593 54.000 -0.073 0.000 0.833 802 D CB -0.829 39.927 40.800 -0.073 0.000 0.643 802 D HN -0.022 nan 8.370 nan 0.000 0.366 803 P HA -0.117 nan 4.420 nan 0.000 0.217 803 P C 1.277 178.476 177.300 -0.169 0.000 1.148 803 P CA 0.928 63.961 63.100 -0.112 0.000 0.828 803 P CB 0.120 31.762 31.700 -0.097 0.000 0.783 804 N N -0.931 117.661 118.700 -0.180 0.000 2.446 804 N HA 0.022 4.776 4.740 0.024 0.000 0.179 804 N C 0.484 175.792 175.510 -0.337 0.000 1.054 804 N CA -0.061 52.834 53.050 -0.257 0.000 0.905 804 N CB 0.002 38.370 38.487 -0.198 0.000 0.973 804 N HN 0.011 nan 8.380 nan 0.000 0.448 805 A N 0.205 122.880 122.820 -0.241 0.000 2.498 805 A HA -0.037 4.298 4.320 0.024 0.000 0.239 805 A C 0.676 178.047 177.584 -0.354 0.000 1.068 805 A CA -0.245 51.653 52.037 -0.232 0.000 0.766 805 A CB -0.112 18.817 19.000 -0.119 0.000 1.003 805 A HN 0.387 nan 8.150 nan 0.000 0.497 806 W N 1.733 122.767 121.300 -0.443 0.000 2.318 806 W HA -0.185 4.489 4.660 0.024 0.000 0.313 806 W C 2.221 178.144 176.519 -0.993 0.000 1.221 806 W CA 1.799 58.599 57.345 -0.909 0.000 1.266 806 W CB -0.322 28.460 29.460 -1.130 0.000 1.150 806 W HN 0.559 nan 8.180 nan 0.000 0.496 807 V N 0.688 120.451 119.914 -0.251 0.000 2.407 807 V HA -0.256 3.878 4.120 0.024 0.000 0.248 807 V C 2.165 178.314 176.094 0.092 0.000 1.055 807 V CA 2.058 64.413 62.300 0.091 0.000 1.049 807 V CB -0.335 31.608 31.823 0.199 0.000 0.662 807 V HN 0.056 nan 8.190 nan 0.000 0.455 808 E N 0.060 120.228 120.200 -0.053 0.000 2.072 808 E HA -0.157 4.207 4.350 0.024 0.000 0.191 808 E C 2.363 178.928 176.600 -0.058 0.000 0.985 808 E CA 1.120 57.497 56.400 -0.038 0.000 0.801 808 E CB -0.357 29.298 29.700 -0.075 0.000 0.750 808 E HN 0.602 nan 8.360 nan 0.000 0.452 809 R N -0.269 120.113 120.500 -0.196 0.000 2.091 809 R HA -0.141 4.214 4.340 0.024 0.000 0.238 809 R C 2.277 178.520 176.300 -0.095 0.000 1.136 809 R CA 1.327 57.291 56.100 -0.228 0.000 0.959 809 R CB -0.197 29.830 30.300 -0.455 0.000 0.856 809 R HN 0.264 nan 8.270 nan 0.000 0.437 810 W N 1.367 122.637 121.300 -0.050 0.000 2.379 810 W HA -0.047 4.627 4.660 0.025 0.000 0.307 810 W C 2.026 178.516 176.519 -0.048 0.000 1.200 810 W CA 0.527 57.755 57.345 -0.195 0.000 1.297 810 W CB -0.784 28.694 29.460 0.030 0.000 1.140 810 W HN 0.081 nan 8.180 nan 0.000 0.507 811 K N 0.271 120.898 120.400 0.378 0.000 2.001 811 K HA -0.170 4.164 4.320 0.024 0.000 0.214 811 K C 2.258 178.927 176.600 0.114 0.000 1.050 811 K CA 2.212 58.672 56.287 0.287 0.000 0.934 811 K CB -0.734 31.878 32.500 0.186 0.000 0.718 811 K HN -0.010 nan 8.250 nan 0.000 0.443 812 A N 1.029 123.886 122.820 0.062 0.000 1.978 812 A HA -0.150 4.184 4.320 0.024 0.000 0.220 812 A C 2.167 179.748 177.584 -0.005 0.000 1.170 812 A CA 1.989 54.040 52.037 0.023 0.000 0.636 812 A CB -0.604 18.394 19.000 -0.003 0.000 0.810 812 A HN 0.398 nan 8.150 nan 0.000 0.448 813 A N -2.299 120.495 122.820 -0.043 0.000 2.238 813 A HA 0.417 4.751 4.320 0.024 0.000 0.208 813 A C 1.825 179.316 177.584 -0.156 0.000 1.177 813 A CA 1.194 53.202 52.037 -0.048 0.000 0.804 813 A CB -0.750 18.207 19.000 -0.071 0.000 0.823 813 A HN 1.868 nan 8.150 nan 0.000 0.482 814 G N -1.597 107.018 108.800 -0.308 0.000 2.176 814 G HA2 -0.312 3.663 3.960 0.024 0.000 0.232 814 G HA3 -0.312 3.663 3.960 0.024 0.000 0.232 814 G C 0.747 175.596 174.900 -0.085 0.000 0.986 814 G CA 0.648 45.300 45.100 -0.746 0.000 0.643 814 G HN 0.698 nan 8.290 nan 0.000 0.522 815 H N -0.884 118.147 119.070 -0.064 0.000 2.321 815 H HA -0.182 4.388 4.556 0.024 0.000 0.295 815 H C 2.282 177.580 175.328 -0.051 0.000 1.102 815 H CA 1.861 57.884 56.048 -0.042 0.000 1.266 815 H CB -0.063 29.595 29.762 -0.174 0.000 1.363 815 H HN 0.589 nan 8.280 nan 0.000 0.492 816 Y N 0.774 121.196 120.300 0.204 0.000 2.439 816 Y HA -0.118 4.446 4.550 0.024 0.000 0.292 816 Y C 2.374 178.359 175.900 0.142 0.000 1.130 816 Y CA 0.454 58.639 58.100 0.142 0.000 1.254 816 Y CB 0.226 38.753 38.460 0.112 0.000 1.000 816 Y HN 0.251 nan 8.280 nan 0.000 0.554 817 Q N 0.061 120.015 119.800 0.258 0.000 2.402 817 Q HA 0.213 4.568 4.340 0.024 0.000 0.206 817 Q C 0.984 177.164 176.000 0.299 0.000 0.919 817 Q CA 0.420 56.372 55.803 0.248 0.000 0.923 817 Q CB -0.145 28.735 28.738 0.236 0.000 1.048 817 Q HN 0.311 nan 8.270 nan 0.000 0.515 818 A N 3.162 126.176 122.820 0.324 0.000 2.546 818 A HA 0.113 4.447 4.320 0.024 0.000 0.243 818 A C 0.339 178.226 177.584 0.506 0.000 1.063 818 A CA 0.078 52.369 52.037 0.424 0.000 0.757 818 A CB 0.033 19.320 19.000 0.478 0.000 0.991 818 A HN 0.235 nan 8.150 nan 0.000 0.503 819 E N 1.537 121.942 120.200 0.340 0.000 2.277 819 E HA 0.659 5.024 4.350 0.024 0.000 0.266 819 E C -0.480 176.037 176.600 -0.138 0.000 0.901 819 E CA -0.877 55.636 56.400 0.188 0.000 0.782 819 E CB 1.793 31.578 29.700 0.141 0.000 1.228 819 E HN 0.679 nan 8.360 nan 0.000 0.424 820 A N 1.445 124.061 122.820 -0.340 0.000 2.450 820 A HA 0.518 4.852 4.320 0.024 0.000 0.255 820 A C -0.167 177.293 177.584 -0.206 0.000 1.096 820 A CA -0.002 51.651 52.037 -0.640 0.000 0.778 820 A CB 0.261 19.054 19.000 -0.345 0.000 1.031 820 A HN 0.661 nan 8.150 nan 0.000 0.494 821 A N 3.363 126.050 122.820 -0.222 0.000 2.328 821 A HA 0.537 4.871 4.320 0.024 0.000 0.318 821 A C -0.238 177.252 177.584 -0.156 0.000 1.347 821 A CA -0.581 51.388 52.037 -0.115 0.000 0.842 821 A CB 0.105 19.058 19.000 -0.077 0.000 1.148 821 A HN 1.050 nan 8.150 nan 0.000 0.499 822 L N 2.457 123.551 121.223 -0.216 0.000 2.543 822 L HA 0.099 4.453 4.340 0.024 0.000 0.285 822 L C 0.586 177.310 176.870 -0.242 0.000 1.236 822 L CA 0.491 55.085 54.840 -0.409 0.000 0.871 822 L CB 0.062 41.894 42.059 -0.379 0.000 1.121 822 L HN 0.750 nan 8.230 nan 0.000 0.501 823 L N 2.821 123.897 121.223 -0.245 0.000 2.993 823 L HA 0.354 4.709 4.340 0.024 0.000 0.264 823 L C 0.247 177.061 176.870 -0.093 0.000 1.154 823 L CA -0.063 54.708 54.840 -0.114 0.000 0.972 823 L CB 0.308 42.336 42.059 -0.051 0.000 1.373 823 L HN 0.682 nan 8.230 nan 0.000 0.564 824 Q N -0.065 119.653 119.800 -0.137 0.000 2.574 824 Q HA 0.297 4.651 4.340 0.024 0.000 0.265 824 Q C -2.181 173.772 176.000 -0.078 0.000 0.975 824 Q CA -0.344 55.416 55.803 -0.072 0.000 0.923 824 Q CB 3.212 31.935 28.738 -0.025 0.000 1.518 824 Q HN 0.062 nan 8.270 nan 0.000 0.401 825 C N 2.923 122.220 119.300 -0.006 0.000 2.968 825 C HA 0.742 5.216 4.460 0.024 0.000 0.389 825 C C -0.818 174.287 174.990 0.192 0.000 1.068 825 C CA 0.460 59.523 59.018 0.076 0.000 1.272 825 C CB 0.458 28.234 27.740 0.061 0.000 1.711 825 C HN 0.832 nan 8.230 nan 0.000 0.501 826 T N 2.294 116.897 114.554 0.081 0.000 2.865 826 T HA 0.937 5.301 4.350 0.024 0.000 0.294 826 T C -0.572 173.856 174.700 -0.454 0.000 1.119 826 T CA -0.174 61.890 62.100 -0.060 0.000 1.007 826 T CB 1.954 70.779 68.868 -0.072 0.000 1.225 826 T HN 1.860 nan 8.240 nan 0.000 0.515 827 A N 0.977 123.385 122.820 -0.687 0.000 2.449 827 A HA 0.786 5.120 4.320 0.024 0.000 0.302 827 A C -1.395 175.924 177.584 -0.442 0.000 1.048 827 A CA -0.732 50.820 52.037 -0.808 0.000 0.708 827 A CB 1.424 19.504 19.000 -1.533 0.000 1.274 827 A HN 0.875 nan 8.150 nan 0.000 0.410 828 D N 0.491 120.693 120.400 -0.330 0.000 2.552 828 D HA 0.632 5.287 4.640 0.024 0.000 0.239 828 D C -0.842 175.344 176.300 -0.191 0.000 1.139 828 D CA -0.030 53.843 54.000 -0.212 0.000 0.914 828 D CB 2.335 43.047 40.800 -0.147 0.000 1.461 828 D HN 0.650 nan 8.370 nan 0.000 0.462 829 T N -1.028 113.442 114.554 -0.141 0.000 2.829 829 T HA 0.752 5.117 4.350 0.024 0.000 0.280 829 T C -0.057 174.591 174.700 -0.086 0.000 0.999 829 T CA -0.699 61.330 62.100 -0.120 0.000 0.983 829 T CB 1.091 69.896 68.868 -0.105 0.000 0.968 829 T HN 0.216 nan 8.240 nan 0.000 0.446 830 L N 1.594 122.771 121.223 -0.077 0.000 2.271 830 L HA 0.733 5.088 4.340 0.024 0.000 0.265 830 L C 2.021 178.865 176.870 -0.042 0.000 1.013 830 L CA -1.550 53.256 54.840 -0.055 0.000 0.820 830 L CB 0.684 42.711 42.059 -0.053 0.000 1.352 830 L HN 0.775 nan 8.230 nan 0.000 0.443 831 A N 0.488 123.290 122.820 -0.030 0.000 1.997 831 A HA -0.197 4.137 4.320 0.024 0.000 0.221 831 A C 1.032 178.605 177.584 -0.018 0.000 1.172 831 A CA 2.317 54.342 52.037 -0.020 0.000 0.645 831 A CB -0.606 18.384 19.000 -0.015 0.000 0.813 831 A HN 0.921 nan 8.150 nan 0.000 0.454 832 D N -3.279 117.107 120.400 -0.025 0.000 2.636 832 D HA 0.542 5.197 4.640 0.024 0.000 0.270 832 D C -0.046 176.233 176.300 -0.035 0.000 1.430 832 D CA 0.686 54.674 54.000 -0.021 0.000 0.796 832 D CB -0.374 40.415 40.800 -0.018 0.000 1.117 832 D HN 0.573 nan 8.370 nan 0.000 0.480 833 A N -0.420 122.368 122.820 -0.054 0.000 2.566 833 A HA 0.593 4.928 4.320 0.024 0.000 0.290 833 A C -1.726 175.791 177.584 -0.111 0.000 1.071 833 A CA -0.685 51.301 52.037 -0.084 0.000 0.658 833 A CB 1.384 20.336 19.000 -0.080 0.000 1.285 833 A HN 0.002 nan 8.150 nan 0.000 0.427 834 V N 0.485 120.306 119.914 -0.154 0.000 2.581 834 V HA 0.665 4.800 4.120 0.024 0.000 0.303 834 V C -0.871 175.103 176.094 -0.200 0.000 1.041 834 V CA -0.501 61.685 62.300 -0.189 0.000 0.907 834 V CB 1.463 33.154 31.823 -0.220 0.000 0.994 834 V HN 0.834 nan 8.190 nan 0.000 0.442 835 L N 5.980 127.075 121.223 -0.212 0.000 2.342 835 L HA 0.608 4.963 4.340 0.024 0.000 0.276 835 L C -0.776 175.933 176.870 -0.267 0.000 0.997 835 L CA -0.037 54.689 54.840 -0.191 0.000 0.838 835 L CB 1.137 43.113 42.059 -0.137 0.000 1.224 835 L HN 0.403 nan 8.230 nan 0.000 0.416 836 I N 3.954 124.357 120.570 -0.279 0.000 2.336 836 I HA 0.442 4.626 4.170 0.024 0.000 0.292 836 I C 0.064 176.132 176.117 -0.082 0.000 0.991 836 I CA -0.270 60.808 61.300 -0.371 0.000 1.227 836 I CB 1.323 38.822 38.000 -0.836 0.000 1.366 836 I HN 0.518 nan 8.210 nan 0.000 0.466 837 T N 4.873 119.374 114.554 -0.089 0.000 2.792 837 T HA 0.664 5.028 4.350 0.024 0.000 0.280 837 T C 0.202 174.937 174.700 0.059 0.000 0.990 837 T CA -0.571 61.538 62.100 0.016 0.000 0.960 837 T CB 1.842 70.694 68.868 -0.027 0.000 0.939 837 T HN 0.800 nan 8.240 nan 0.000 0.439 838 T N -0.613 114.023 114.554 0.137 0.000 2.896 838 T HA 0.861 5.226 4.350 0.024 0.000 0.297 838 T C -1.357 173.440 174.700 0.160 0.000 1.108 838 T CA -1.072 61.110 62.100 0.136 0.000 1.004 838 T CB 2.023 71.055 68.868 0.272 0.000 1.159 838 T HN 0.805 nan 8.240 nan 0.000 0.499 839 A N 1.655 124.522 122.820 0.080 0.000 2.437 839 A HA 0.747 5.081 4.320 0.024 0.000 0.293 839 A C -1.479 176.108 177.584 0.006 0.000 1.038 839 A CA -0.751 51.363 52.037 0.129 0.000 0.708 839 A CB 0.774 19.814 19.000 0.067 0.000 1.251 839 A HN 0.983 nan 8.150 nan 0.000 0.409 840 H N 0.294 119.418 119.070 0.090 0.000 2.821 840 H HA 0.804 5.375 4.556 0.024 0.000 0.373 840 H C 0.034 175.417 175.328 0.091 0.000 1.165 840 H CA 0.234 56.268 56.048 -0.022 0.000 1.154 840 H CB 2.104 31.755 29.762 -0.186 0.000 1.765 840 H HN 0.973 nan 8.280 nan 0.000 0.549 841 A N 1.801 124.669 122.820 0.079 0.000 2.350 841 A HA 0.512 4.847 4.320 0.024 0.000 0.324 841 A C -1.334 176.271 177.584 0.036 0.000 1.118 841 A CA -0.715 51.420 52.037 0.163 0.000 0.783 841 A CB 1.218 20.277 19.000 0.097 0.000 1.236 841 A HN 0.622 nan 8.150 nan 0.000 0.457 842 W N 1.772 123.162 121.300 0.149 0.000 2.411 842 W HA 0.427 5.101 4.660 0.024 0.000 0.317 842 W C -0.448 176.069 176.519 -0.002 0.000 1.030 842 W CA -0.182 57.241 57.345 0.130 0.000 1.239 842 W CB 1.738 31.326 29.460 0.215 0.000 1.304 842 W HN 0.778 nan 8.180 nan 0.000 0.437 843 Q N 1.188 121.106 119.800 0.197 0.000 2.399 843 Q HA 0.389 4.744 4.340 0.024 0.000 0.276 843 Q C -0.860 175.263 176.000 0.205 0.000 1.098 843 Q CA -0.692 55.191 55.803 0.134 0.000 0.827 843 Q CB 3.404 32.184 28.738 0.070 0.000 1.386 843 Q HN 0.361 nan 8.270 nan 0.000 0.443 844 H N 1.951 121.048 119.070 0.045 0.000 3.181 844 H HA 0.074 4.644 4.556 0.024 0.000 0.331 844 H C -0.937 174.418 175.328 0.044 0.000 0.988 844 H CA -0.222 55.862 56.048 0.060 0.000 1.449 844 H CB 1.025 30.831 29.762 0.073 0.000 1.749 844 H HN 0.620 nan 8.280 nan 0.000 0.501 845 Q N 2.951 122.467 119.800 -0.473 0.000 2.457 845 Q HA -0.188 4.167 4.340 0.024 0.000 0.283 845 Q C 1.100 177.034 176.000 -0.109 0.000 1.234 845 Q CA 1.658 57.276 55.803 -0.309 0.000 0.877 845 Q CB -1.813 26.699 28.738 -0.376 0.000 1.250 845 Q HN 1.199 nan 8.270 nan 0.000 0.481 846 G N -1.827 106.936 108.800 -0.061 0.000 2.176 846 G HA2 -0.341 3.633 3.960 0.024 0.000 0.253 846 G HA3 -0.341 3.633 3.960 0.024 0.000 0.253 846 G C 0.110 175.014 174.900 0.006 0.000 0.979 846 G CA 0.284 45.373 45.100 -0.018 0.000 0.641 846 G HN 0.267 nan 8.290 nan 0.000 0.530 847 K N 1.456 121.869 120.400 0.022 0.000 2.185 847 K HA 0.481 4.816 4.320 0.024 0.000 0.269 847 K C -0.237 176.376 176.600 0.023 0.000 0.987 847 K CA -0.203 56.102 56.287 0.029 0.000 0.865 847 K CB 0.708 33.232 32.500 0.041 0.000 1.090 847 K HN 0.108 nan 8.250 nan 0.000 0.450 848 T N 5.515 120.075 114.554 0.010 0.000 2.727 848 T HA 0.174 4.538 4.350 0.024 0.000 0.295 848 T C 1.652 176.303 174.700 -0.081 0.000 0.915 848 T CA -0.256 61.847 62.100 0.005 0.000 1.066 848 T CB 0.418 69.306 68.868 0.033 0.000 0.891 848 T HN 0.453 nan 8.240 nan 0.000 0.516 849 L N 2.065 123.139 121.223 -0.248 0.000 2.084 849 L HA 0.298 4.653 4.340 0.024 0.000 0.202 849 L C 0.101 176.596 176.870 -0.624 0.000 1.074 849 L CA 0.933 55.384 54.840 -0.650 0.000 0.757 849 L CB -0.103 41.111 42.059 -1.408 0.000 0.918 849 L HN 0.519 nan 8.230 nan 0.000 0.444 850 F N -1.094 118.788 119.950 -0.114 0.000 2.588 850 F HA 0.625 5.166 4.527 0.024 0.000 0.314 850 F C -0.413 175.464 175.800 0.128 0.000 1.069 850 F CA -0.907 56.976 58.000 -0.194 0.000 0.931 850 F CB 1.803 40.253 39.000 -0.916 0.000 1.260 850 F HN -0.305 nan 8.300 nan 0.000 0.465 851 I N 1.124 121.903 120.570 0.348 0.000 2.498 851 I HA 0.374 4.558 4.170 0.024 0.000 0.290 851 I C -0.803 175.582 176.117 0.446 0.000 1.032 851 I CA -0.568 60.976 61.300 0.406 0.000 1.073 851 I CB 2.278 40.433 38.000 0.259 0.000 1.251 851 I HN 0.551 nan 8.210 nan 0.000 0.426 852 S N 6.146 122.201 115.700 0.593 0.000 2.566 852 S HA 0.536 5.021 4.470 0.024 0.000 0.324 852 S C -0.644 174.192 174.600 0.393 0.000 1.081 852 S CA -0.658 57.856 58.200 0.523 0.000 1.105 852 S CB 0.487 64.112 63.200 0.707 0.000 0.981 852 S HN 0.492 nan 8.310 nan 0.000 0.464 853 R N 3.535 124.195 120.500 0.266 0.000 2.338 853 R HA 0.570 4.924 4.340 0.024 0.000 0.317 853 R C -0.641 175.736 176.300 0.129 0.000 0.968 853 R CA -0.660 55.557 56.100 0.194 0.000 0.849 853 R CB 1.585 31.974 30.300 0.147 0.000 1.128 853 R HN 0.533 nan 8.270 nan 0.000 0.448 854 K N 0.741 121.215 120.400 0.123 0.000 2.480 854 K HA 0.499 4.834 4.320 0.024 0.000 0.258 854 K C -1.039 175.562 176.600 0.002 0.000 0.990 854 K CA -0.955 55.336 56.287 0.006 0.000 0.857 854 K CB 2.570 35.054 32.500 -0.027 0.000 1.384 854 K HN 0.573 nan 8.250 nan 0.000 0.446 855 T N -0.924 113.546 114.554 -0.141 0.000 2.916 855 T HA 0.530 4.895 4.350 0.024 0.000 0.298 855 T C -1.335 173.244 174.700 -0.203 0.000 1.031 855 T CA -0.864 61.195 62.100 -0.069 0.000 0.993 855 T CB 0.433 69.280 68.868 -0.035 0.000 1.045 855 T HN 0.358 nan 8.240 nan 0.000 0.454 856 Y N 0.805 121.063 120.300 -0.070 0.000 2.328 856 Y HA 0.673 5.238 4.550 0.024 0.000 0.336 856 Y C 0.391 176.211 175.900 -0.134 0.000 0.960 856 Y CA -1.532 56.537 58.100 -0.052 0.000 1.134 856 Y CB 1.603 40.079 38.460 0.026 0.000 1.166 856 Y HN 0.673 nan 8.280 nan 0.000 0.464 857 R N 4.508 125.036 120.500 0.046 0.000 2.337 857 R HA 0.609 4.964 4.340 0.024 0.000 0.319 857 R C -1.561 174.689 176.300 -0.083 0.000 0.954 857 R CA -0.298 55.778 56.100 -0.039 0.000 0.840 857 R CB 0.509 30.793 30.300 -0.027 0.000 1.164 857 R HN 0.737 nan 8.270 nan 0.000 0.472 858 I N 4.717 125.167 120.570 -0.200 0.000 2.354 858 I HA 0.260 4.445 4.170 0.024 0.000 0.292 858 I C -0.299 175.686 176.117 -0.220 0.000 0.989 858 I CA -0.786 60.311 61.300 -0.338 0.000 1.188 858 I CB 1.514 39.053 38.000 -0.768 0.000 1.342 858 I HN 0.716 nan 8.210 nan 0.000 0.457 859 D N 3.763 124.081 120.400 -0.137 0.000 2.621 859 D HA 0.310 4.964 4.640 0.024 0.000 0.255 859 D C 1.226 177.512 176.300 -0.023 0.000 1.122 859 D CA -0.619 53.340 54.000 -0.068 0.000 1.096 859 D CB 0.730 41.510 40.800 -0.034 0.000 1.282 859 D HN 0.489 nan 8.370 nan 0.000 0.619 860 G N -1.009 107.792 108.800 0.002 0.000 2.499 860 G HA2 -0.254 3.721 3.960 0.024 0.000 0.221 860 G HA3 -0.254 3.721 3.960 0.024 0.000 0.221 860 G C 1.277 176.214 174.900 0.061 0.000 1.109 860 G CA 1.410 46.530 45.100 0.034 0.000 0.749 860 G HN 0.579 nan 8.290 nan 0.000 0.568 861 S N -0.719 115.013 115.700 0.053 0.000 2.501 861 S HA 0.349 4.833 4.470 0.024 0.000 0.220 861 S C 1.798 176.472 174.600 0.123 0.000 0.997 861 S CA 1.036 59.282 58.200 0.076 0.000 0.919 861 S CB -0.101 63.136 63.200 0.061 0.000 0.778 861 S HN 1.580 nan 8.310 nan 0.000 0.523 862 G N 0.672 109.556 108.800 0.139 0.000 2.149 862 G HA2 -0.204 3.771 3.960 0.024 0.000 0.235 862 G HA3 -0.204 3.771 3.960 0.024 0.000 0.235 862 G C -0.348 174.716 174.900 0.274 0.000 1.018 862 G CA 0.049 45.313 45.100 0.272 0.000 0.728 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.696 119.196 119.800 0.153 0.000 2.282 863 Q HA 0.655 5.010 4.340 0.024 0.000 0.260 863 Q C 0.160 176.226 176.000 0.111 0.000 0.964 863 Q CA -0.581 55.322 55.803 0.166 0.000 0.880 863 Q CB 1.801 30.615 28.738 0.127 0.000 1.286 863 Q HN 0.450 nan 8.270 nan 0.000 0.445 864 M N 2.202 121.913 119.600 0.185 0.000 2.101 864 M HA 0.555 5.050 4.480 0.024 0.000 0.340 864 M C -1.358 175.067 176.300 0.207 0.000 1.057 864 M CA -0.462 54.922 55.300 0.140 0.000 0.984 864 M CB 0.905 33.654 32.600 0.248 0.000 1.560 864 M HN 0.689 nan 8.290 nan 0.000 0.435 865 A N 6.807 129.704 122.820 0.127 0.000 2.260 865 A HA 0.670 5.005 4.320 0.024 0.000 0.308 865 A C -0.823 176.793 177.584 0.054 0.000 1.254 865 A CA -0.664 51.440 52.037 0.111 0.000 0.874 865 A CB 0.093 19.137 19.000 0.073 0.000 1.153 865 A HN 0.924 nan 8.150 nan 0.000 0.527 866 I N 2.411 122.995 120.570 0.024 0.000 2.339 866 I HA 0.304 4.489 4.170 0.024 0.000 0.290 866 I C -0.016 175.973 176.117 -0.214 0.000 0.994 866 I CA -0.029 61.164 61.300 -0.178 0.000 1.191 866 I CB 1.904 39.806 38.000 -0.164 0.000 1.343 866 I HN 0.482 nan 8.210 nan 0.000 0.458 867 T N 6.011 120.407 114.554 -0.263 0.000 2.758 867 T HA 0.540 4.905 4.350 0.024 0.000 0.285 867 T C -0.186 174.301 174.700 -0.355 0.000 0.981 867 T CA -0.478 61.466 62.100 -0.259 0.000 0.965 867 T CB 1.407 70.224 68.868 -0.085 0.000 0.927 867 T HN 0.211 nan 8.240 nan 0.000 0.448 868 V N 3.620 123.182 119.914 -0.586 0.000 2.555 868 V HA 0.526 4.660 4.120 0.024 0.000 0.302 868 V C -0.554 175.359 176.094 -0.302 0.000 1.038 868 V CA -0.925 61.066 62.300 -0.515 0.000 0.887 868 V CB 2.026 33.295 31.823 -0.924 0.000 0.991 868 V HN 0.843 nan 8.190 nan 0.000 0.434 869 D N 3.218 123.608 120.400 -0.016 0.000 2.542 869 D HA 0.454 5.108 4.640 0.024 0.000 0.252 869 D C -1.115 175.309 176.300 0.206 0.000 1.222 869 D CA -0.096 53.996 54.000 0.153 0.000 0.895 869 D CB 2.667 43.585 40.800 0.197 0.000 1.207 869 D HN 0.261 nan 8.370 nan 0.000 0.558 870 V N 2.247 122.323 119.914 0.269 0.000 2.513 870 V HA 0.271 4.406 4.120 0.024 0.000 0.299 870 V C 0.173 176.422 176.094 0.257 0.000 1.035 870 V CA -0.662 61.813 62.300 0.291 0.000 0.889 870 V CB 2.449 34.479 31.823 0.346 0.000 0.988 870 V HN 0.342 nan 8.190 nan 0.000 0.440 871 E N 2.750 123.086 120.200 0.226 0.000 2.166 871 E HA 0.595 4.960 4.350 0.024 0.000 0.275 871 E C -1.467 175.251 176.600 0.198 0.000 0.941 871 E CA -0.562 55.950 56.400 0.187 0.000 0.784 871 E CB 2.487 32.280 29.700 0.156 0.000 1.115 871 E HN 0.421 nan 8.360 nan 0.000 0.399 872 V N 2.037 122.071 119.914 0.200 0.000 2.444 872 V HA 0.367 4.501 4.120 0.024 0.000 0.294 872 V C 0.167 176.362 176.094 0.170 0.000 1.022 872 V CA -1.000 61.439 62.300 0.232 0.000 0.850 872 V CB 1.426 33.419 31.823 0.285 0.000 0.992 872 V HN 0.819 nan 8.190 nan 0.000 0.426 873 A N 3.472 126.356 122.820 0.106 0.000 2.546 873 A HA 0.296 4.631 4.320 0.024 0.000 0.243 873 A C 1.603 179.264 177.584 0.129 0.000 1.063 873 A CA 0.579 52.666 52.037 0.084 0.000 0.757 873 A CB 0.242 19.260 19.000 0.031 0.000 0.991 873 A HN 1.354 nan 8.150 nan 0.000 0.503 874 S N 1.128 116.898 115.700 0.117 0.000 2.423 874 S HA -0.148 4.336 4.470 0.024 0.000 0.231 874 S C 0.761 175.442 174.600 0.135 0.000 1.014 874 S CA 1.259 59.546 58.200 0.145 0.000 0.965 874 S CB -0.338 62.929 63.200 0.112 0.000 0.785 874 S HN 0.811 nan 8.310 nan 0.000 0.495 875 D N 0.673 121.128 120.400 0.092 0.000 2.336 875 D HA 0.181 4.835 4.640 0.024 0.000 0.228 875 D C 0.365 176.704 176.300 0.066 0.000 1.120 875 D CA -0.044 53.994 54.000 0.064 0.000 0.839 875 D CB -0.314 40.511 40.800 0.041 0.000 0.932 875 D HN 0.310 nan 8.370 nan 0.000 0.509 876 T N 0.830 115.451 114.554 0.111 0.000 2.902 876 T HA 0.445 4.809 4.350 0.024 0.000 0.283 876 T C -2.682 172.133 174.700 0.192 0.000 1.009 876 T CA -2.228 59.958 62.100 0.142 0.000 1.051 876 T CB 1.152 70.121 68.868 0.169 0.000 0.999 876 T HN -0.200 nan 8.240 nan 0.000 0.474 877 P HA 0.101 nan 4.420 nan 0.000 0.265 877 P C -0.583 177.059 177.300 0.570 0.000 1.193 877 P CA 0.111 63.338 63.100 0.211 0.000 0.765 877 P CB -0.098 31.707 31.700 0.175 0.000 0.823 878 H N 3.702 123.182 119.070 0.683 0.000 3.034 878 H HA 0.064 4.634 4.556 0.024 0.000 0.324 878 H C -1.615 174.055 175.328 0.570 0.000 1.015 878 H CA -1.305 55.053 56.048 0.516 0.000 1.429 878 H CB -0.415 29.581 29.762 0.391 0.000 1.429 878 H HN 0.382 nan 8.280 nan 0.000 0.585 879 P HA 0.009 nan 4.420 nan 0.000 0.274 879 P C 0.127 177.311 177.300 -0.193 0.000 1.237 879 P CA -0.281 62.854 63.100 0.058 0.000 0.793 879 P CB 0.960 32.509 31.700 -0.251 0.000 0.977 880 A N 2.794 125.240 122.820 -0.624 0.000 1.969 880 A HA -0.080 4.254 4.320 0.024 0.000 0.218 880 A C 0.997 178.202 177.584 -0.631 0.000 1.169 880 A CA 1.335 52.982 52.037 -0.650 0.000 0.635 880 A CB -0.535 17.904 19.000 -0.934 0.000 0.810 880 A HN 0.741 nan 8.150 nan 0.000 0.445 881 R N -3.050 117.098 120.500 -0.587 0.000 2.741 881 R HA 0.757 5.111 4.340 0.024 0.000 0.274 881 R C -1.631 174.394 176.300 -0.459 0.000 1.029 881 R CA -0.825 54.934 56.100 -0.568 0.000 0.880 881 R CB 0.864 30.779 30.300 -0.642 0.000 1.264 881 R HN -0.006 nan 8.270 nan 0.000 0.465 882 I N 0.753 121.075 120.570 -0.413 0.000 2.576 882 I HA 0.600 4.784 4.170 0.024 0.000 0.279 882 I C -0.589 175.255 176.117 -0.455 0.000 1.114 882 I CA -0.338 60.739 61.300 -0.371 0.000 1.076 882 I CB 1.836 39.705 38.000 -0.219 0.000 1.212 882 I HN 0.976 nan 8.210 nan 0.000 0.472 883 G N 5.415 113.889 108.800 -0.544 0.000 2.650 883 G HA2 0.786 4.761 3.960 0.024 0.000 0.310 883 G HA3 0.786 4.761 3.960 0.024 0.000 0.310 883 G C -1.670 173.038 174.900 -0.320 0.000 1.270 883 G CA -0.533 44.298 45.100 -0.449 0.000 0.810 883 G HN 0.248 nan 8.290 nan 0.000 0.493 884 L N 0.403 121.499 121.223 -0.212 0.000 2.303 884 L HA 0.697 5.052 4.340 0.024 0.000 0.256 884 L C -0.693 176.083 176.870 -0.156 0.000 1.034 884 L CA -1.142 53.611 54.840 -0.145 0.000 0.832 884 L CB 2.583 44.642 42.059 -0.000 0.000 1.403 884 L HN 0.845 nan 8.230 nan 0.000 0.419 885 N N -0.027 118.620 118.700 -0.088 0.000 2.927 885 N HA 0.691 5.446 4.740 0.024 0.000 0.248 885 N C -1.298 174.238 175.510 0.043 0.000 1.443 885 N CA -0.551 52.479 53.050 -0.033 0.000 0.870 885 N CB 2.117 40.603 38.487 -0.001 0.000 1.444 885 N HN 0.902 nan 8.380 nan 0.000 0.519 886 C N -1.908 117.437 119.300 0.075 0.000 3.275 886 C HA 0.617 5.091 4.460 0.024 0.000 0.340 886 C C -1.420 173.389 174.990 -0.302 0.000 1.366 886 C CA -0.846 58.160 59.018 -0.020 0.000 1.227 886 C CB 1.003 28.753 27.740 0.016 0.000 1.512 886 C HN 0.899 nan 8.230 nan 0.000 0.461 887 Q N 1.172 120.594 119.800 -0.631 0.000 2.333 887 Q HA 0.704 5.059 4.340 0.024 0.000 0.265 887 Q C -1.212 174.495 176.000 -0.488 0.000 0.989 887 Q CA -0.487 54.684 55.803 -1.054 0.000 0.842 887 Q CB 1.121 28.865 28.738 -1.658 0.000 1.262 887 Q HN 0.765 nan 8.270 nan 0.000 0.451 888 L N 2.398 123.420 121.223 -0.335 0.000 2.399 888 L HA 0.370 4.724 4.340 0.024 0.000 0.266 888 L C 1.040 177.838 176.870 -0.121 0.000 1.114 888 L CA -0.190 54.580 54.840 -0.117 0.000 0.804 888 L CB 1.024 43.117 42.059 0.057 0.000 1.146 888 L HN 0.852 nan 8.230 nan 0.000 0.451 889 A N 1.508 124.294 122.820 -0.056 0.000 2.016 889 A HA -0.056 4.279 4.320 0.024 0.000 0.217 889 A C 1.040 178.614 177.584 -0.017 0.000 1.162 889 A CA 0.496 52.493 52.037 -0.067 0.000 0.662 889 A CB -0.188 18.763 19.000 -0.082 0.000 0.812 889 A HN 0.770 nan 8.150 nan 0.000 0.450 890 Q N -0.489 119.343 119.800 0.053 0.000 2.368 890 Q HA 0.455 4.810 4.340 0.024 0.000 0.237 890 Q C -1.172 174.871 176.000 0.071 0.000 0.987 890 Q CA 0.188 56.015 55.803 0.040 0.000 0.896 890 Q CB 1.017 29.791 28.738 0.061 0.000 1.241 890 Q HN 0.122 nan 8.270 nan 0.000 0.485 891 V N 2.749 122.668 119.914 0.008 0.000 2.445 891 V HA 0.674 4.809 4.120 0.024 0.000 0.283 891 V C -0.751 175.319 176.094 -0.040 0.000 1.014 891 V CA -0.377 61.958 62.300 0.059 0.000 0.852 891 V CB 0.910 32.755 31.823 0.037 0.000 1.021 891 V HN 0.884 nan 8.190 nan 0.000 0.435 892 A N 3.030 125.771 122.820 -0.133 0.000 2.281 892 A HA 0.736 5.071 4.320 0.024 0.000 0.329 892 A C 0.767 178.374 177.584 0.037 0.000 1.122 892 A CA -0.399 51.498 52.037 -0.235 0.000 0.850 892 A CB 1.035 19.616 19.000 -0.698 0.000 1.207 892 A HN 0.797 nan 8.150 nan 0.000 0.495 893 E N -0.121 120.090 120.200 0.019 0.000 2.158 893 E HA -0.026 4.339 4.350 0.024 0.000 0.191 893 E C 0.265 176.945 176.600 0.132 0.000 0.982 893 E CA 0.723 57.166 56.400 0.072 0.000 0.823 893 E CB 0.162 29.884 29.700 0.038 0.000 0.766 893 E HN 0.490 nan 8.360 nan 0.000 0.468 894 R N 0.075 120.667 120.500 0.153 0.000 2.912 894 R HA 0.565 4.920 4.340 0.024 0.000 0.262 894 R C -0.829 175.670 176.300 0.333 0.000 1.057 894 R CA -0.834 55.390 56.100 0.206 0.000 0.981 894 R CB 1.752 32.142 30.300 0.149 0.000 1.201 894 R HN -0.177 nan 8.270 nan 0.000 0.484 895 V N 1.395 121.503 119.914 0.322 0.000 2.638 895 V HA 0.413 4.547 4.120 0.024 0.000 0.306 895 V C -0.427 175.938 176.094 0.452 0.000 1.052 895 V CA -0.919 61.602 62.300 0.370 0.000 0.885 895 V CB 1.992 33.962 31.823 0.244 0.000 0.999 895 V HN 0.723 nan 8.190 nan 0.000 0.424 896 N N 4.022 122.989 118.700 0.444 0.000 2.310 896 N HA 0.563 5.318 4.740 0.024 0.000 0.292 896 N C -1.578 174.222 175.510 0.483 0.000 1.049 896 N CA -0.406 52.883 53.050 0.398 0.000 0.849 896 N CB 2.966 41.572 38.487 0.199 0.000 1.532 896 N HN 0.844 nan 8.380 nan 0.000 0.479 897 W N 2.766 124.107 121.300 0.069 0.000 3.146 897 W HA 0.535 5.209 4.660 0.024 0.000 0.319 897 W C -2.088 174.406 176.519 -0.042 0.000 1.258 897 W CA -1.084 56.276 57.345 0.025 0.000 1.189 897 W CB 0.696 30.189 29.460 0.055 0.000 1.412 897 W HN 0.247 nan 8.180 nan 0.000 0.567 898 L N 3.935 125.131 121.223 -0.044 0.000 2.283 898 L HA 0.897 5.251 4.340 0.024 0.000 0.281 898 L C 0.024 176.711 176.870 -0.304 0.000 1.033 898 L CA 0.523 55.154 54.840 -0.348 0.000 0.848 898 L CB 0.426 42.370 42.059 -0.191 0.000 1.226 898 L HN 0.972 nan 8.230 nan 0.000 0.429 899 G N 3.620 112.074 108.800 -0.577 0.000 2.364 899 G HA2 0.202 4.177 3.960 0.024 0.000 0.286 899 G HA3 0.202 4.177 3.960 0.024 0.000 0.286 899 G C -1.534 173.345 174.900 -0.035 0.000 1.241 899 G CA -1.057 43.920 45.100 -0.204 0.000 0.887 899 G HN 0.365 nan 8.290 nan 0.000 0.484 900 L N 1.270 122.644 121.223 0.252 0.000 2.410 900 L HA 0.555 4.910 4.340 0.024 0.000 0.273 900 L C 1.071 178.023 176.870 0.137 0.000 1.152 900 L CA 0.951 55.905 54.840 0.190 0.000 0.855 900 L CB 0.416 42.551 42.059 0.126 0.000 1.129 900 L HN 1.149 nan 8.230 nan 0.000 0.463 901 G N 3.375 112.028 108.800 -0.244 0.000 2.341 901 G HA2 0.236 4.211 3.960 0.024 0.000 0.299 901 G HA3 0.236 4.211 3.960 0.024 0.000 0.299 901 G C -2.769 171.237 174.900 -1.490 0.000 1.274 901 G CA -0.282 44.318 45.100 -0.833 0.000 0.853 901 G HN 0.303 nan 8.290 nan 0.000 0.493 902 P HA 0.087 nan 4.420 nan 0.000 0.230 902 P C 0.482 177.587 177.300 -0.324 0.000 1.168 902 P CA 0.595 63.048 63.100 -1.078 0.000 0.793 902 P CB 0.376 31.612 31.700 -0.773 0.000 0.851 903 Q N 0.610 120.211 119.800 -0.332 0.000 2.396 903 Q HA 0.120 4.475 4.340 0.024 0.000 0.221 903 Q C 0.425 176.325 176.000 -0.166 0.000 1.025 903 Q CA -0.506 55.185 55.803 -0.188 0.000 0.946 903 Q CB 0.571 29.216 28.738 -0.155 0.000 1.224 903 Q HN 0.157 nan 8.270 nan 0.000 0.539 904 E N 1.391 121.502 120.200 -0.147 0.000 2.529 904 E HA -0.111 4.253 4.350 0.024 0.000 0.259 904 E C -1.112 175.428 176.600 -0.101 0.000 0.966 904 E CA 0.285 56.593 56.400 -0.154 0.000 0.937 904 E CB 0.201 29.866 29.700 -0.059 0.000 0.923 904 E HN 0.604 nan 8.360 nan 0.000 0.468 905 N N 2.829 121.400 118.700 -0.214 0.000 2.367 905 N HA 0.300 5.054 4.740 0.024 0.000 0.278 905 N C -1.888 173.399 175.510 -0.371 0.000 1.117 905 N CA -0.679 52.289 53.050 -0.137 0.000 0.867 905 N CB 0.723 39.146 38.487 -0.105 0.000 1.649 905 N HN 0.206 nan 8.380 nan 0.000 0.479 906 Y N 0.344 120.547 120.300 -0.162 0.000 2.598 906 Y HA 0.501 5.066 4.550 0.024 0.000 0.340 906 Y C -1.636 174.180 175.900 -0.139 0.000 1.038 906 Y CA -2.079 55.912 58.100 -0.182 0.000 1.100 906 Y CB 1.910 40.254 38.460 -0.194 0.000 1.281 906 Y HN 0.446 nan 8.280 nan 0.000 0.488 907 P HA -0.200 nan 4.420 nan 0.000 0.216 907 P C 0.346 177.471 177.300 -0.291 0.000 1.154 907 P CA 2.186 65.294 63.100 0.015 0.000 0.865 907 P CB 0.207 32.020 31.700 0.189 0.000 0.789 908 D N -2.607 117.426 120.400 -0.611 0.000 2.368 908 D HA 0.019 4.674 4.640 0.024 0.000 0.218 908 D C 0.781 176.937 176.300 -0.240 0.000 1.112 908 D CA 0.041 53.532 54.000 -0.850 0.000 0.834 908 D CB -0.322 39.768 40.800 -1.183 0.000 0.953 908 D HN 0.120 nan 8.370 nan 0.000 0.505 909 R N 1.174 121.619 120.500 -0.091 0.000 2.701 909 R HA 0.186 4.541 4.340 0.024 0.000 0.281 909 R C -0.410 175.921 176.300 0.053 0.000 1.367 909 R CA -0.149 55.964 56.100 0.021 0.000 1.510 909 R CB 0.107 30.419 30.300 0.020 0.000 1.306 909 R HN 0.105 nan 8.270 nan 0.000 0.682 910 L N -2.059 119.203 121.223 0.064 0.000 3.259 910 L HA 0.334 4.688 4.340 0.024 0.000 0.292 910 L C 1.339 178.271 176.870 0.103 0.000 1.219 910 L CA 0.279 55.160 54.840 0.068 0.000 1.035 910 L CB -0.025 42.062 42.059 0.046 0.000 1.424 910 L HN 0.058 nan 8.230 nan 0.000 0.603 911 T N -2.613 112.030 114.554 0.148 0.000 2.867 911 T HA 0.014 4.378 4.350 0.024 0.000 0.268 911 T C 1.814 176.588 174.700 0.122 0.000 1.057 911 T CA 1.290 63.506 62.100 0.194 0.000 1.136 911 T CB -0.394 68.642 68.868 0.280 0.000 0.874 911 T HN 0.385 nan 8.240 nan 0.000 0.466 912 A N 1.750 124.636 122.820 0.110 0.000 2.066 912 A HA 0.601 4.935 4.320 0.024 0.000 0.218 912 A C 1.657 179.308 177.584 0.112 0.000 1.157 912 A CA 0.642 52.692 52.037 0.021 0.000 0.670 912 A CB -1.051 18.078 19.000 0.215 0.000 0.804 912 A HN 0.867 nan 8.150 nan 0.000 0.453 913 A N -1.132 121.710 122.820 0.036 0.000 2.407 913 A HA 0.432 4.767 4.320 0.024 0.000 0.248 913 A C -0.001 177.595 177.584 0.020 0.000 1.082 913 A CA -0.024 51.992 52.037 -0.035 0.000 0.785 913 A CB -0.131 18.843 19.000 -0.043 0.000 1.020 913 A HN 0.485 nan 8.150 nan 0.000 0.489 914 C N 0.964 120.258 119.300 -0.009 0.000 2.456 914 C HA 0.489 4.963 4.460 0.024 0.000 0.325 914 C C -0.057 175.071 174.990 0.230 0.000 1.217 914 C CA -0.463 58.635 59.018 0.133 0.000 1.687 914 C CB 0.533 28.383 27.740 0.183 0.000 2.270 914 C HN 0.785 nan 8.230 nan 0.000 0.499 915 F N 4.350 124.210 119.950 -0.150 0.000 2.466 915 F HA 0.420 4.961 4.527 0.024 0.000 0.363 915 F C 0.387 175.862 175.800 -0.542 0.000 1.109 915 F CA 1.283 59.019 58.000 -0.439 0.000 1.161 915 F CB -0.222 38.058 39.000 -1.199 0.000 1.117 915 F HN 0.631 nan 8.300 nan 0.000 0.539 916 D N 3.341 123.090 120.400 -1.086 0.000 2.865 916 D HA 0.187 4.841 4.640 0.024 0.000 0.343 916 D C -1.573 173.798 176.300 -1.548 0.000 1.372 916 D CA -0.748 52.498 54.000 -1.258 0.000 0.862 916 D CB 1.350 41.318 40.800 -1.387 0.000 1.425 916 D HN 0.477 nan 8.370 nan 0.000 0.501 917 R N 0.768 120.462 120.500 -1.343 0.000 2.198 917 R HA 0.541 4.895 4.340 0.024 0.000 0.339 917 R C -1.338 174.252 176.300 -1.183 0.000 1.020 917 R CA -0.354 55.116 56.100 -1.049 0.000 0.864 917 R CB 0.220 30.172 30.300 -0.580 0.000 1.105 917 R HN 0.262 nan 8.270 nan 0.000 0.463 918 W N 2.727 123.515 121.300 -0.853 0.000 2.627 918 W HA 0.454 5.129 4.660 0.024 0.000 0.339 918 W C -0.438 175.762 176.519 -0.532 0.000 1.058 918 W CA -0.729 56.077 57.345 -0.898 0.000 1.223 918 W CB 1.457 30.034 29.460 -1.471 0.000 1.389 918 W HN 0.379 nan 8.180 nan 0.000 0.541 919 D N 2.549 122.964 120.400 0.025 0.000 2.763 919 D HA 0.478 5.132 4.640 0.024 0.000 0.235 919 D C -1.535 174.893 176.300 0.214 0.000 1.334 919 D CA -0.167 53.936 54.000 0.171 0.000 0.950 919 D CB 1.191 42.035 40.800 0.073 0.000 1.433 919 D HN 0.435 nan 8.370 nan 0.000 0.580 920 L N 2.968 124.372 121.223 0.302 0.000 2.359 920 L HA 0.537 4.892 4.340 0.024 0.000 0.256 920 L C -2.375 174.610 176.870 0.192 0.000 1.026 920 L CA -2.131 52.842 54.840 0.223 0.000 0.828 920 L CB 2.855 45.063 42.059 0.248 0.000 1.406 920 L HN 0.196 nan 8.230 nan 0.000 0.413 921 P HA 0.010 nan 4.420 nan 0.000 0.271 921 P C 0.608 177.983 177.300 0.124 0.000 1.216 921 P CA -0.263 62.908 63.100 0.118 0.000 0.771 921 P CB 0.969 32.719 31.700 0.084 0.000 0.864 922 L N 4.068 125.371 121.223 0.134 0.000 2.089 922 L HA -0.284 4.071 4.340 0.024 0.000 0.213 922 L C 2.398 179.312 176.870 0.073 0.000 1.079 922 L CA 2.858 57.761 54.840 0.105 0.000 0.758 922 L CB -1.427 40.714 42.059 0.136 0.000 0.891 922 L HN 0.492 nan 8.230 nan 0.000 0.433 923 S N -1.375 114.374 115.700 0.082 0.000 2.383 923 S HA -0.229 4.256 4.470 0.024 0.000 0.229 923 S C 1.701 176.367 174.600 0.110 0.000 1.030 923 S CA 1.352 59.615 58.200 0.105 0.000 1.002 923 S CB -0.891 62.364 63.200 0.092 0.000 0.829 923 S HN 0.579 nan 8.310 nan 0.000 0.467 924 D N 1.141 121.584 120.400 0.072 0.000 2.351 924 D HA 0.036 4.691 4.640 0.024 0.000 0.216 924 D C 1.313 177.617 176.300 0.007 0.000 0.968 924 D CA 0.685 54.708 54.000 0.038 0.000 0.899 924 D CB -0.202 40.628 40.800 0.050 0.000 0.907 924 D HN 0.407 nan 8.370 nan 0.000 0.514 925 M N -0.524 119.088 119.600 0.019 0.000 2.561 925 M HA 0.053 4.548 4.480 0.024 0.000 0.238 925 M C 0.055 176.363 176.300 0.013 0.000 1.131 925 M CA -0.012 55.257 55.300 -0.052 0.000 1.046 925 M CB -0.918 31.633 32.600 -0.082 0.000 1.532 925 M HN -0.023 nan 8.290 nan 0.000 0.497 926 Y N -0.321 119.940 120.300 -0.064 0.000 2.409 926 Y HA 0.523 5.087 4.550 0.024 0.000 0.343 926 Y C -0.765 175.086 175.900 -0.081 0.000 0.973 926 Y CA -0.982 57.097 58.100 -0.034 0.000 1.064 926 Y CB 1.323 39.830 38.460 0.078 0.000 1.207 926 Y HN -0.125 nan 8.280 nan 0.000 0.452 927 T N 8.602 122.711 114.554 -0.742 0.000 2.756 927 T HA 0.274 4.639 4.350 0.024 0.000 0.290 927 T C -2.591 171.329 174.700 -1.299 0.000 0.985 927 T CA -1.515 60.038 62.100 -0.913 0.000 0.955 927 T CB 1.028 69.461 68.868 -0.724 0.000 0.930 927 T HN 0.468 nan 8.240 nan 0.000 0.451 928 P HA 0.086 nan 4.420 nan 0.000 0.249 928 P C -0.573 176.587 177.300 -0.233 0.000 1.686 928 P CA -0.371 62.318 63.100 -0.686 0.000 0.873 928 P CB -0.844 30.573 31.700 -0.472 0.000 1.828 929 Y N -0.530 119.722 120.300 -0.079 0.000 2.712 929 Y HA -0.095 4.470 4.550 0.024 0.000 0.333 929 Y C 2.267 178.226 175.900 0.098 0.000 1.225 929 Y CA -0.427 57.677 58.100 0.006 0.000 1.499 929 Y CB 0.451 38.845 38.460 -0.109 0.000 1.288 929 Y HN -0.142 nan 8.280 nan 0.000 0.575 930 V N 3.470 123.604 119.914 0.366 0.000 2.392 930 V HA -0.305 3.830 4.120 0.024 0.000 0.249 930 V C 0.480 176.753 176.094 0.298 0.000 1.059 930 V CA 1.445 63.943 62.300 0.329 0.000 1.051 930 V CB -0.612 31.439 31.823 0.381 0.000 0.658 930 V HN 0.588 nan 8.190 nan 0.000 0.455 931 F N 2.890 122.895 119.950 0.092 0.000 2.385 931 F HA 0.559 5.101 4.527 0.024 0.000 0.360 931 F C -2.554 173.274 175.800 0.045 0.000 1.122 931 F CA -3.330 54.680 58.000 0.017 0.000 1.090 931 F CB 1.054 39.975 39.000 -0.131 0.000 1.150 931 F HN -0.055 nan 8.300 nan 0.000 0.472 932 P HA 0.306 nan 4.420 nan 0.000 0.271 932 P C -1.144 175.895 177.300 -0.434 0.000 1.218 932 P CA -0.005 62.871 63.100 -0.374 0.000 0.780 932 P CB 1.383 32.874 31.700 -0.349 0.000 0.901 933 S N -0.433 115.194 115.700 -0.121 0.000 2.683 933 S HA 0.385 4.870 4.470 0.024 0.000 0.269 933 S C -0.870 173.746 174.600 0.026 0.000 1.165 933 S CA -0.943 57.227 58.200 -0.051 0.000 0.840 933 S CB 0.338 63.551 63.200 0.020 0.000 1.169 933 S HN 0.301 nan 8.310 nan 0.000 0.490 934 E N 1.327 121.552 120.200 0.042 0.000 2.608 934 E HA 0.342 4.707 4.350 0.024 0.000 0.259 934 E C -0.127 176.543 176.600 0.118 0.000 0.951 934 E CA 0.985 57.432 56.400 0.079 0.000 0.945 934 E CB -0.398 29.373 29.700 0.119 0.000 0.916 934 E HN 0.772 nan 8.360 nan 0.000 0.477 935 N N 1.391 120.185 118.700 0.157 0.000 3.020 935 N HA 0.525 5.279 4.740 0.024 0.000 0.248 935 N C 0.238 175.805 175.510 0.095 0.000 1.480 935 N CA -0.679 52.499 53.050 0.213 0.000 0.874 935 N CB 0.735 39.329 38.487 0.178 0.000 1.433 935 N HN 0.598 nan 8.380 nan 0.000 0.530 936 G N -1.306 107.511 108.800 0.029 0.000 2.175 936 G HA2 -0.285 3.689 3.960 0.024 0.000 0.265 936 G HA3 -0.285 3.689 3.960 0.024 0.000 0.265 936 G C -0.177 174.473 174.900 -0.418 0.000 0.979 936 G CA 0.642 45.641 45.100 -0.168 0.000 0.663 936 G HN 0.656 nan 8.290 nan 0.000 0.533 937 L N -0.310 120.576 121.223 -0.563 0.000 2.483 937 L HA 0.687 5.041 4.340 0.024 0.000 0.275 937 L C 0.675 176.986 176.870 -0.931 0.000 1.220 937 L CA 0.308 54.589 54.840 -0.932 0.000 0.833 937 L CB 0.585 41.751 42.059 -1.488 0.000 1.102 937 L HN 0.241 nan 8.230 nan 0.000 0.490 938 R N 2.012 121.897 120.500 -1.026 0.000 2.575 938 R HA 0.500 4.854 4.340 0.024 0.000 0.293 938 R C -1.043 174.945 176.300 -0.520 0.000 0.983 938 R CA -0.277 55.369 56.100 -0.756 0.000 0.887 938 R CB 1.405 31.131 30.300 -0.957 0.000 1.184 938 R HN 0.717 nan 8.270 nan 0.000 0.445 939 C N 0.386 119.525 119.300 -0.268 0.000 2.380 939 C HA 0.707 5.182 4.460 0.024 0.000 0.393 939 C C 1.248 176.242 174.990 0.007 0.000 1.284 939 C CA -0.053 58.883 59.018 -0.137 0.000 2.033 939 C CB 1.286 28.960 27.740 -0.110 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.870 110.681 108.800 0.018 0.000 2.390 940 G HA2 -0.186 3.788 3.960 0.024 0.000 0.299 940 G HA3 -0.186 3.788 3.960 0.024 0.000 0.299 940 G C -0.059 174.908 174.900 0.112 0.000 1.002 940 G CA 0.576 45.728 45.100 0.085 0.000 0.979 940 G HN 0.815 nan 8.290 nan 0.000 0.513 941 T N 0.210 114.701 114.554 -0.105 0.000 2.771 941 T HA 0.489 4.854 4.350 0.024 0.000 0.291 941 T C 1.418 175.792 174.700 -0.545 0.000 0.954 941 T CA -0.603 61.362 62.100 -0.226 0.000 1.045 941 T CB 1.361 70.153 68.868 -0.127 0.000 0.917 941 T HN 0.311 nan 8.240 nan 0.000 0.484 942 R N 1.753 122.166 120.500 -0.146 0.000 2.254 942 R HA 0.240 4.595 4.340 0.024 0.000 0.193 942 R C 0.556 176.870 176.300 0.023 0.000 0.929 942 R CA 0.164 56.229 56.100 -0.059 0.000 1.038 942 R CB 0.320 30.715 30.300 0.159 0.000 1.009 942 R HN 0.755 nan 8.270 nan 0.000 0.512 943 E N 0.682 120.906 120.200 0.040 0.000 2.311 943 E HA 0.345 4.710 4.350 0.024 0.000 0.281 943 E C -1.845 174.888 176.600 0.223 0.000 0.905 943 E CA -0.692 55.816 56.400 0.180 0.000 0.778 943 E CB 1.518 31.302 29.700 0.141 0.000 1.240 943 E HN -0.057 nan 8.360 nan 0.000 0.410 944 L N 4.141 125.561 121.223 0.328 0.000 2.362 944 L HA 0.614 4.968 4.340 0.024 0.000 0.275 944 L C -1.756 175.316 176.870 0.338 0.000 0.998 944 L CA -0.401 54.576 54.840 0.227 0.000 0.820 944 L CB 1.760 43.801 42.059 -0.029 0.000 1.270 944 L HN 0.536 nan 8.230 nan 0.000 0.415 945 N N 4.532 123.404 118.700 0.288 0.000 2.399 945 N HA 0.398 5.153 4.740 0.024 0.000 0.280 945 N C -1.972 173.774 175.510 0.395 0.000 1.008 945 N CA -0.247 52.969 53.050 0.276 0.000 0.894 945 N CB 2.035 40.630 38.487 0.181 0.000 1.273 945 N HN 0.576 nan 8.380 nan 0.000 0.486 946 Y N 1.119 121.567 120.300 0.248 0.000 2.358 946 Y HA 0.424 4.989 4.550 0.024 0.000 0.324 946 Y C 0.714 176.741 175.900 0.211 0.000 1.123 946 Y CA 0.187 58.440 58.100 0.255 0.000 1.067 946 Y CB 0.819 39.492 38.460 0.355 0.000 1.230 946 Y HN 0.807 nan 8.280 nan 0.000 0.429 947 G N 6.313 114.927 108.800 -0.311 0.000 2.596 947 G HA2 -0.303 3.671 3.960 0.024 0.000 0.304 947 G HA3 -0.303 3.671 3.960 0.024 0.000 0.304 947 G C -1.853 172.923 174.900 -0.206 0.000 1.189 947 G CA 0.266 45.174 45.100 -0.321 0.000 0.986 947 G HN 0.585 nan 8.290 nan 0.000 0.548 948 P HA 0.201 nan 4.420 nan 0.000 0.257 948 P C 0.208 177.293 177.300 -0.359 0.000 1.241 948 P CA 0.517 63.407 63.100 -0.350 0.000 0.816 948 P CB 0.113 31.527 31.700 -0.476 0.000 1.150 949 H N 0.513 119.501 119.070 -0.138 0.000 2.482 949 H HA 0.484 5.054 4.556 0.024 0.000 0.344 949 H C -0.032 174.993 175.328 -0.505 0.000 1.151 949 H CA 0.056 55.879 56.048 -0.375 0.000 1.300 949 H CB 1.552 30.843 29.762 -0.785 0.000 1.494 949 H HN 0.063 nan 8.280 nan 0.000 0.542 950 Q N 2.169 121.662 119.800 -0.512 0.000 2.284 950 Q HA 0.229 4.583 4.340 0.024 0.000 0.269 950 Q C -1.787 173.955 176.000 -0.429 0.000 1.026 950 Q CA -0.686 54.949 55.803 -0.281 0.000 0.831 950 Q CB 2.088 30.803 28.738 -0.038 0.000 1.322 950 Q HN 0.594 nan 8.270 nan 0.000 0.419 951 W N 3.926 125.176 121.300 -0.082 0.000 2.632 951 W HA 0.616 5.290 4.660 0.024 0.000 0.328 951 W C -0.193 176.415 176.519 0.148 0.000 1.044 951 W CA -0.799 56.472 57.345 -0.124 0.000 1.225 951 W CB 2.038 31.216 29.460 -0.471 0.000 1.396 951 W HN 0.535 nan 8.180 nan 0.000 0.499 952 R N 0.504 121.250 120.500 0.411 0.000 2.795 952 R HA 0.770 5.124 4.340 0.024 0.000 0.275 952 R C 0.141 176.733 176.300 0.487 0.000 0.981 952 R CA -0.474 55.893 56.100 0.445 0.000 0.917 952 R CB 2.494 32.955 30.300 0.268 0.000 1.202 952 R HN 0.753 nan 8.270 nan 0.000 0.469 953 G N 0.528 109.603 108.800 0.458 0.000 2.601 953 G HA2 0.040 4.014 3.960 0.024 0.000 0.080 953 G HA3 0.040 4.014 3.960 0.024 0.000 0.080 953 G C -1.733 173.278 174.900 0.185 0.000 1.046 953 G CA -0.156 45.170 45.100 0.377 0.000 1.143 953 G HN 0.509 nan 8.290 nan 0.000 0.507 954 D N -0.097 120.416 120.400 0.187 0.000 2.584 954 D HA 0.539 5.194 4.640 0.024 0.000 0.238 954 D C -0.701 175.602 176.300 0.005 0.000 1.302 954 D CA -0.511 53.479 54.000 -0.015 0.000 0.884 954 D CB 0.004 40.841 40.800 0.062 0.000 1.456 954 D HN 0.532 nan 8.370 nan 0.000 0.528 955 F N -0.355 119.599 119.950 0.006 0.000 2.790 955 F HA 0.770 5.311 4.527 0.024 0.000 0.337 955 F C -0.833 174.933 175.800 -0.055 0.000 1.163 955 F CA -1.007 56.931 58.000 -0.102 0.000 0.997 955 F CB 0.590 39.530 39.000 -0.101 0.000 1.437 955 F HN -0.154 nan 8.300 nan 0.000 0.512 956 Q N 1.329 121.246 119.800 0.194 0.000 2.348 956 Q HA 0.680 5.035 4.340 0.024 0.000 0.271 956 Q C -1.191 174.915 176.000 0.175 0.000 1.067 956 Q CA -0.551 55.285 55.803 0.055 0.000 0.839 956 Q CB 2.649 31.293 28.738 -0.156 0.000 1.354 956 Q HN 0.876 nan 8.270 nan 0.000 0.447 957 F N -1.382 118.469 119.950 -0.165 0.000 2.773 957 F HA 0.739 5.281 4.527 0.024 0.000 0.314 957 F C -1.820 173.763 175.800 -0.362 0.000 1.160 957 F CA -1.086 56.756 58.000 -0.264 0.000 0.920 957 F CB 1.460 40.307 39.000 -0.255 0.000 1.323 957 F HN 0.586 nan 8.300 nan 0.000 0.457 958 N N 1.365 119.876 118.700 -0.315 0.000 2.396 958 N HA 0.721 5.475 4.740 0.024 0.000 0.275 958 N C -2.179 173.270 175.510 -0.101 0.000 1.218 958 N CA -0.688 52.155 53.050 -0.344 0.000 0.812 958 N CB 2.530 40.836 38.487 -0.300 0.000 1.592 958 N HN 1.159 nan 8.380 nan 0.000 0.480 959 I N 0.300 120.801 120.570 -0.115 0.000 2.680 959 I HA 0.720 4.904 4.170 0.024 0.000 0.291 959 I C -1.432 174.603 176.117 -0.138 0.000 1.244 959 I CA 0.051 61.254 61.300 -0.162 0.000 1.042 959 I CB 1.434 39.263 38.000 -0.285 0.000 1.277 959 I HN 1.067 nan 8.210 nan 0.000 0.423 960 S N 6.099 121.737 115.700 -0.103 0.000 2.655 960 S HA 0.504 4.988 4.470 0.024 0.000 0.266 960 S C -0.260 174.252 174.600 -0.146 0.000 1.149 960 S CA -0.986 57.148 58.200 -0.110 0.000 0.818 960 S CB 1.604 64.801 63.200 -0.005 0.000 1.130 960 S HN 0.637 nan 8.310 nan 0.000 0.476 961 R N -0.090 120.161 120.500 -0.414 0.000 2.335 961 R HA 0.231 4.585 4.340 0.024 0.000 0.223 961 R C -0.859 175.158 176.300 -0.472 0.000 0.940 961 R CA 0.327 56.162 56.100 -0.442 0.000 1.086 961 R CB -1.060 28.849 30.300 -0.653 0.000 1.073 961 R HN 0.661 nan 8.270 nan 0.000 0.504 962 Y N 0.136 120.417 120.300 -0.032 0.000 2.350 962 Y HA 0.241 4.805 4.550 0.024 0.000 0.338 962 Y C 0.770 176.492 175.900 -0.296 0.000 0.961 962 Y CA -1.176 56.827 58.100 -0.162 0.000 1.100 962 Y CB 1.327 39.621 38.460 -0.277 0.000 1.179 962 Y HN -0.103 nan 8.280 nan 0.000 0.454 963 S N 1.599 117.010 115.700 -0.482 0.000 2.608 963 S HA 0.065 4.550 4.470 0.024 0.000 0.261 963 S C 0.949 175.229 174.600 -0.532 0.000 1.314 963 S CA -0.663 56.888 58.200 -1.081 0.000 0.992 963 S CB 1.083 63.289 63.200 -1.656 0.000 0.935 963 S HN 0.741 nan 8.310 nan 0.000 0.564 964 Q N 0.536 120.023 119.800 -0.522 0.000 2.084 964 Q HA -0.194 4.160 4.340 0.024 0.000 0.202 964 Q C 2.272 178.136 176.000 -0.227 0.000 0.978 964 Q CA 1.908 57.544 55.803 -0.278 0.000 0.844 964 Q CB -0.608 28.003 28.738 -0.210 0.000 0.898 964 Q HN 0.953 nan 8.270 nan 0.000 0.426 965 Q N 0.644 120.278 119.800 -0.276 0.000 2.084 965 Q HA -0.217 4.137 4.340 0.024 0.000 0.202 965 Q C 2.073 177.967 176.000 -0.177 0.000 0.978 965 Q CA 1.458 57.151 55.803 -0.184 0.000 0.844 965 Q CB -0.010 28.628 28.738 -0.168 0.000 0.898 965 Q HN 0.416 nan 8.270 nan 0.000 0.426 966 Q N 0.113 119.780 119.800 -0.222 0.000 2.050 966 Q HA -0.168 4.186 4.340 0.024 0.000 0.202 966 Q C 2.382 178.256 176.000 -0.210 0.000 0.980 966 Q CA 1.452 57.133 55.803 -0.203 0.000 0.840 966 Q CB -0.105 28.489 28.738 -0.240 0.000 0.898 966 Q HN 0.473 nan 8.270 nan 0.000 0.424 967 L N 0.477 121.571 121.223 -0.215 0.000 1.990 967 L HA -0.273 4.081 4.340 0.024 0.000 0.213 967 L C 2.763 179.497 176.870 -0.226 0.000 1.072 967 L CA 1.933 56.642 54.840 -0.219 0.000 0.755 967 L CB -0.581 41.385 42.059 -0.156 0.000 0.889 967 L HN 0.480 nan 8.230 nan 0.000 0.432 968 M N -1.670 117.828 119.600 -0.169 0.000 2.374 968 M HA -0.135 4.359 4.480 0.024 0.000 0.264 968 M C 1.473 177.691 176.300 -0.136 0.000 1.067 968 M CA 1.721 56.934 55.300 -0.144 0.000 1.103 968 M CB -0.357 32.179 32.600 -0.108 0.000 1.402 968 M HN 0.137 nan 8.290 nan 0.000 0.444 969 E N 0.769 120.886 120.200 -0.137 0.000 2.472 969 E HA 0.102 4.467 4.350 0.024 0.000 0.196 969 E C -0.341 176.200 176.600 -0.099 0.000 1.033 969 E CA 0.179 56.521 56.400 -0.097 0.000 0.886 969 E CB 0.563 30.212 29.700 -0.085 0.000 0.944 969 E HN 0.465 nan 8.360 nan 0.000 0.492 970 T N 0.192 114.648 114.554 -0.163 0.000 2.779 970 T HA 0.099 4.463 4.350 0.024 0.000 0.280 970 T C 1.020 175.600 174.700 -0.200 0.000 0.987 970 T CA -0.491 61.514 62.100 -0.158 0.000 0.966 970 T CB 1.734 70.479 68.868 -0.205 0.000 0.933 970 T HN -0.009 nan 8.240 nan 0.000 0.442 971 S N 1.763 117.454 115.700 -0.014 0.000 2.478 971 S HA 0.051 4.535 4.470 0.024 0.000 0.222 971 S C 0.266 174.970 174.600 0.174 0.000 1.008 971 S CA 0.342 58.645 58.200 0.173 0.000 0.928 971 S CB -0.264 63.190 63.200 0.422 0.000 0.781 971 S HN 0.746 nan 8.310 nan 0.000 0.518 972 H N 0.675 119.737 119.070 -0.014 0.000 2.679 972 H HA 0.516 5.087 4.556 0.024 0.000 0.360 972 H C 0.969 176.238 175.328 -0.099 0.000 1.105 972 H CA -0.701 55.377 56.048 0.050 0.000 1.196 972 H CB 1.570 31.359 29.762 0.046 0.000 1.636 972 H HN 0.164 nan 8.280 nan 0.000 0.531 973 R N 1.994 122.587 120.500 0.155 0.000 2.103 973 R HA -0.212 4.143 4.340 0.024 0.000 0.242 973 R C 1.388 177.685 176.300 -0.004 0.000 1.142 973 R CA 2.071 58.202 56.100 0.051 0.000 0.960 973 R CB -0.643 29.729 30.300 0.120 0.000 0.858 973 R HN 0.791 nan 8.270 nan 0.000 0.439 974 H N 1.301 120.394 119.070 0.038 0.000 2.489 974 H HA -0.040 4.531 4.556 0.024 0.000 0.295 974 H C 1.656 176.930 175.328 -0.091 0.000 1.082 974 H CA 1.228 57.264 56.048 -0.020 0.000 1.295 974 H CB -0.285 29.470 29.762 -0.011 0.000 1.380 974 H HN 0.345 nan 8.280 nan 0.000 0.548 975 L N 0.813 121.643 121.223 -0.656 0.000 2.558 975 L HA 0.178 4.532 4.340 0.024 0.000 0.225 975 L C 0.771 177.499 176.870 -0.237 0.000 1.128 975 L CA -0.174 54.380 54.840 -0.476 0.000 0.868 975 L CB -0.024 41.737 42.059 -0.497 0.000 1.006 975 L HN 0.031 nan 8.230 nan 0.000 0.454 976 L N 1.047 122.123 121.223 -0.245 0.000 2.461 976 L HA 0.052 4.407 4.340 0.024 0.000 0.272 976 L C 0.388 177.233 176.870 -0.042 0.000 1.197 976 L CA 0.175 54.850 54.840 -0.275 0.000 0.836 976 L CB 0.122 41.794 42.059 -0.645 0.000 1.105 976 L HN 0.207 nan 8.230 nan 0.000 0.477 977 H N 1.692 120.805 119.070 0.071 0.000 2.589 977 H HA 0.608 5.179 4.556 0.024 0.000 0.351 977 H C -0.819 174.624 175.328 0.192 0.000 1.074 977 H CA -1.228 54.888 56.048 0.114 0.000 1.203 977 H CB 1.341 31.121 29.762 0.030 0.000 1.558 977 H HN 0.698 nan 8.280 nan 0.000 0.522 978 A N 4.114 127.059 122.820 0.209 0.000 2.520 978 A HA 0.090 4.425 4.320 0.024 0.000 0.245 978 A C 0.330 177.985 177.584 0.118 0.000 1.072 978 A CA -0.185 51.805 52.037 -0.078 0.000 0.761 978 A CB -0.049 18.869 19.000 -0.136 0.000 1.004 978 A HN 0.872 nan 8.150 nan 0.000 0.499 979 E N 0.980 121.215 120.200 0.058 0.000 2.351 979 E HA 0.226 4.590 4.350 0.024 0.000 0.255 979 E C 0.078 176.723 176.600 0.075 0.000 1.188 979 E CA -0.627 55.881 56.400 0.181 0.000 0.940 979 E CB 0.641 30.509 29.700 0.280 0.000 1.094 979 E HN 0.799 nan 8.360 nan 0.000 0.474 980 E N 0.181 120.420 120.200 0.064 0.000 2.373 980 E HA 0.245 4.609 4.350 0.024 0.000 0.267 980 E C 0.321 176.878 176.600 -0.071 0.000 1.032 980 E CA 0.446 56.842 56.400 -0.007 0.000 0.889 980 E CB 0.408 30.101 29.700 -0.012 0.000 0.984 980 E HN 0.651 nan 8.360 nan 0.000 0.425 981 G N 2.719 111.477 108.800 -0.070 0.000 2.645 981 G HA2 -0.232 3.743 3.960 0.024 0.000 0.246 981 G HA3 -0.232 3.743 3.960 0.024 0.000 0.246 981 G C -0.626 174.206 174.900 -0.114 0.000 1.322 981 G CA -0.109 44.932 45.100 -0.099 0.000 0.898 981 G HN 0.643 nan 8.290 nan 0.000 0.573 982 T N 0.179 114.644 114.554 -0.149 0.000 2.841 982 T HA 0.506 4.871 4.350 0.024 0.000 0.285 982 T C -0.734 173.801 174.700 -0.275 0.000 0.991 982 T CA -0.164 61.855 62.100 -0.135 0.000 0.966 982 T CB 1.388 70.271 68.868 0.024 0.000 0.962 982 T HN 0.562 nan 8.240 nan 0.000 0.438 983 W N 3.151 124.366 121.300 -0.141 0.000 2.322 983 W HA 0.590 5.264 4.660 0.024 0.000 0.307 983 W C -0.206 176.189 176.519 -0.206 0.000 1.220 983 W CA -0.669 56.588 57.345 -0.146 0.000 1.210 983 W CB 0.645 30.030 29.460 -0.124 0.000 1.223 983 W HN 0.398 nan 8.180 nan 0.000 0.511 984 L N 5.548 126.771 121.223 -0.000 0.000 2.333 984 L HA 0.513 4.868 4.340 0.024 0.000 0.280 984 L C -0.863 175.923 176.870 -0.142 0.000 1.004 984 L CA -0.319 54.402 54.840 -0.198 0.000 0.820 984 L CB 0.836 42.600 42.059 -0.493 0.000 1.247 984 L HN 0.316 nan 8.230 nan 0.000 0.416 985 N N 6.509 125.104 118.700 -0.176 0.000 2.483 985 N HA 0.412 5.167 4.740 0.024 0.000 0.267 985 N C -1.350 174.018 175.510 -0.237 0.000 0.998 985 N CA -0.206 52.740 53.050 -0.172 0.000 0.918 985 N CB 2.471 40.885 38.487 -0.122 0.000 1.215 985 N HN 0.634 nan 8.380 nan 0.000 0.500 986 I N 1.685 122.066 120.570 -0.315 0.000 2.382 986 I HA 0.315 4.499 4.170 0.024 0.000 0.286 986 I C -1.168 174.750 176.117 -0.331 0.000 1.002 986 I CA -0.540 60.530 61.300 -0.383 0.000 1.135 986 I CB 0.849 38.419 38.000 -0.717 0.000 1.288 986 I HN 0.213 nan 8.210 nan 0.000 0.448 987 D N 5.253 125.498 120.400 -0.258 0.000 2.256 987 D HA 0.298 4.953 4.640 0.024 0.000 0.246 987 D C 0.772 176.768 176.300 -0.507 0.000 1.042 987 D CA -0.318 53.457 54.000 -0.375 0.000 0.841 987 D CB 2.300 42.970 40.800 -0.217 0.000 1.223 987 D HN 0.731 nan 8.370 nan 0.000 0.470 988 G N 1.177 109.348 108.800 -1.048 0.000 2.394 988 G HA2 -0.047 3.927 3.960 0.024 0.000 0.215 988 G HA3 -0.047 3.927 3.960 0.024 0.000 0.215 988 G C 0.145 174.184 174.900 -1.434 0.000 1.165 988 G CA 0.612 44.933 45.100 -1.298 0.000 0.784 988 G HN 0.384 nan 8.290 nan 0.000 0.535 989 F N -1.916 117.825 119.950 -0.350 0.000 2.578 989 F HA 0.590 5.132 4.527 0.024 0.000 0.311 989 F C -0.516 175.161 175.800 -0.205 0.000 1.094 989 F CA -1.120 56.752 58.000 -0.214 0.000 0.923 989 F CB 2.224 41.015 39.000 -0.347 0.000 1.230 989 F HN 0.025 nan 8.300 nan 0.000 0.450 990 H N 2.362 121.425 119.070 -0.012 0.000 2.759 990 H HA 0.513 5.084 4.556 0.024 0.000 0.354 990 H C -0.768 174.579 175.328 0.033 0.000 1.074 990 H CA -0.892 55.131 56.048 -0.043 0.000 1.226 990 H CB 1.785 31.502 29.762 -0.075 0.000 1.648 990 H HN 0.770 nan 8.280 nan 0.000 0.529 991 M N 3.813 123.364 119.600 -0.082 0.000 2.243 991 M HA 0.319 4.814 4.480 0.024 0.000 0.341 991 M C 0.402 176.830 176.300 0.213 0.000 1.130 991 M CA 0.112 55.443 55.300 0.052 0.000 1.162 991 M CB 0.458 32.988 32.600 -0.118 0.000 1.497 991 M HN 0.827 nan 8.290 nan 0.000 0.456 992 G N 3.201 112.100 108.800 0.164 0.000 2.690 992 G HA2 0.221 4.195 3.960 0.024 0.000 0.239 992 G HA3 0.221 4.195 3.960 0.024 0.000 0.239 992 G C 0.597 175.489 174.900 -0.013 0.000 1.233 992 G CA -0.277 44.843 45.100 0.032 0.000 0.847 992 G HN 0.995 nan 8.290 nan 0.000 0.588 993 I N -1.100 119.406 120.570 -0.105 0.000 3.645 993 I HA 0.407 4.592 4.170 0.024 0.000 0.300 993 I C 1.230 177.282 176.117 -0.108 0.000 1.260 993 I CA 0.416 61.618 61.300 -0.163 0.000 1.365 993 I CB -0.561 37.223 38.000 -0.359 0.000 1.077 993 I HN 0.943 nan 8.210 nan 0.000 0.439 994 G N 1.592 110.351 108.800 -0.069 0.000 2.645 994 G HA2 0.014 3.989 3.960 0.024 0.000 0.246 994 G HA3 0.014 3.989 3.960 0.024 0.000 0.246 994 G C 0.561 175.455 174.900 -0.009 0.000 1.322 994 G CA 0.155 45.252 45.100 -0.006 0.000 0.898 994 G HN 1.355 nan 8.290 nan 0.000 0.573 995 G N -2.478 106.334 108.800 0.019 0.000 2.559 995 G HA2 0.029 4.003 3.960 0.024 0.000 0.202 995 G HA3 0.029 4.003 3.960 0.024 0.000 0.202 995 G C 0.663 175.613 174.900 0.082 0.000 0.992 995 G CA 0.899 46.017 45.100 0.030 0.000 0.764 995 G HN 0.970 nan 8.290 nan 0.000 0.525 996 D N 1.231 121.706 120.400 0.124 0.000 2.203 996 D HA 0.058 4.713 4.640 0.024 0.000 0.199 996 D C 1.025 177.361 176.300 0.059 0.000 0.997 996 D CA 2.214 56.347 54.000 0.222 0.000 0.863 996 D CB 0.111 41.052 40.800 0.236 0.000 0.928 996 D HN 0.820 nan 8.370 nan 0.000 0.458 997 D N -3.554 116.681 120.400 -0.275 0.000 2.665 997 D HA 0.313 4.968 4.640 0.024 0.000 0.287 997 D C -0.818 175.047 176.300 -0.726 0.000 1.266 997 D CA -0.735 52.697 54.000 -0.947 0.000 0.830 997 D CB 0.814 40.548 40.800 -1.777 0.000 1.356 997 D HN -0.286 nan 8.370 nan 0.000 0.437 998 S N -0.522 114.623 115.700 -0.926 0.000 2.651 998 S HA 0.259 4.744 4.470 0.024 0.000 0.246 998 S C -0.681 173.923 174.600 0.006 0.000 1.039 998 S CA -0.624 57.474 58.200 -0.170 0.000 1.013 998 S CB -0.476 62.918 63.200 0.323 0.000 0.861 998 S HN 0.595 nan 8.310 nan 0.000 0.485 999 W N 1.024 122.250 121.300 -0.123 0.000 1.686 999 W HA 0.599 5.273 4.660 0.023 0.000 0.263 999 W C -0.159 176.290 176.519 -0.117 0.000 0.860 999 W CA -0.588 56.665 57.345 -0.154 0.000 1.635 999 W CB -0.605 28.702 29.460 -0.255 0.000 0.998 999 W HN 0.151 nan 8.180 nan 0.000 0.464 1000 S N -1.246 114.342 115.700 -0.187 0.000 2.567 1000 S HA 0.610 5.095 4.470 0.024 0.000 0.270 1000 S C -3.223 171.314 174.600 -0.105 0.000 1.152 1000 S CA -1.427 56.708 58.200 -0.108 0.000 0.835 1000 S CB 1.467 64.620 63.200 -0.078 0.000 1.115 1000 S HN -0.200 nan 8.310 nan 0.000 0.459 1001 P HA 0.217 nan 4.420 nan 0.000 0.262 1001 P C 0.372 177.707 177.300 0.059 0.000 1.199 1001 P CA 0.023 63.128 63.100 0.007 0.000 0.763 1001 P CB 0.707 32.322 31.700 -0.141 0.000 0.790 1002 S N 1.029 116.794 115.700 0.109 0.000 2.701 1002 S HA 0.127 4.612 4.470 0.024 0.000 0.242 1002 S C 0.296 174.982 174.600 0.142 0.000 1.025 1002 S CA -0.282 57.967 58.200 0.081 0.000 1.016 1002 S CB -0.197 63.001 63.200 -0.003 0.000 0.977 1002 S HN 0.106 nan 8.310 nan 0.000 0.546 1003 V N 3.111 123.155 119.914 0.216 0.000 2.439 1003 V HA 0.333 4.467 4.120 0.024 0.000 0.271 1003 V C 0.858 177.109 176.094 0.263 0.000 1.040 1003 V CA -0.229 62.191 62.300 0.201 0.000 1.002 1003 V CB 0.663 32.552 31.823 0.110 0.000 1.000 1003 V HN 0.544 nan 8.190 nan 0.000 0.477 1004 S N 4.349 120.217 115.700 0.279 0.000 2.566 1004 S HA 0.224 4.708 4.470 0.024 0.000 0.280 1004 S C 1.560 176.310 174.600 0.249 0.000 1.343 1004 S CA 0.123 58.485 58.200 0.270 0.000 1.036 1004 S CB 1.045 64.418 63.200 0.289 0.000 0.866 1004 S HN 0.981 nan 8.310 nan 0.000 0.526 1005 A N 3.321 126.237 122.820 0.160 0.000 1.940 1005 A HA -0.118 4.217 4.320 0.024 0.000 0.219 1005 A C 2.028 179.636 177.584 0.041 0.000 1.176 1005 A CA 1.687 53.801 52.037 0.128 0.000 0.631 1005 A CB -0.642 18.419 19.000 0.102 0.000 0.814 1005 A HN 0.960 nan 8.150 nan 0.000 0.446 1006 E N -0.843 119.306 120.200 -0.086 0.000 2.409 1006 E HA -0.125 4.240 4.350 0.024 0.000 0.198 1006 E C 0.838 177.144 176.600 -0.490 0.000 1.024 1006 E CA 0.759 56.974 56.400 -0.308 0.000 0.861 1006 E CB -0.452 28.967 29.700 -0.469 0.000 0.788 1006 E HN 0.689 nan 8.360 nan 0.000 0.521 1007 F N 1.277 121.280 119.950 0.089 0.000 2.664 1007 F HA 0.239 4.780 4.527 0.024 0.000 0.303 1007 F C 0.855 176.695 175.800 0.066 0.000 1.092 1007 F CA -0.463 57.590 58.000 0.088 0.000 1.305 1007 F CB 0.538 39.590 39.000 0.087 0.000 1.054 1007 F HN -0.192 nan 8.300 nan 0.000 0.565 1008 Q N 1.328 121.240 119.800 0.187 0.000 2.235 1008 Q HA 0.364 4.718 4.340 0.024 0.000 0.250 1008 Q C -0.150 175.876 176.000 0.043 0.000 0.909 1008 Q CA -0.497 55.388 55.803 0.137 0.000 0.910 1008 Q CB 1.882 30.791 28.738 0.286 0.000 1.223 1008 Q HN 0.273 nan 8.270 nan 0.000 0.432 1009 L N 2.507 123.734 121.223 0.008 0.000 2.391 1009 L HA 0.068 4.422 4.340 0.024 0.000 0.249 1009 L C 0.783 177.585 176.870 -0.112 0.000 1.308 1009 L CA -0.041 54.779 54.840 -0.034 0.000 1.209 1009 L CB -0.522 41.410 42.059 -0.211 0.000 1.401 1009 L HN 0.698 nan 8.230 nan 0.000 0.416 1010 S N -1.202 114.330 115.700 -0.280 0.000 2.540 1010 S HA 0.112 4.597 4.470 0.024 0.000 0.218 1010 S C 1.834 176.366 174.600 -0.114 0.000 0.977 1010 S CA 0.196 58.083 58.200 -0.521 0.000 0.918 1010 S CB 0.594 63.408 63.200 -0.644 0.000 0.806 1010 S HN 0.527 nan 8.310 nan 0.000 0.496 1011 A N 1.777 124.574 122.820 -0.038 0.000 2.024 1011 A HA 0.355 4.690 4.320 0.024 0.000 0.220 1011 A C 2.202 179.661 177.584 -0.209 0.000 1.164 1011 A CA 1.528 53.387 52.037 -0.297 0.000 0.643 1011 A CB -1.389 17.117 19.000 -0.823 0.000 0.806 1011 A HN 1.484 nan 8.150 nan 0.000 0.451 1012 G N -1.855 106.947 108.800 0.003 0.000 2.417 1012 G HA2 -0.294 3.681 3.960 0.024 0.000 0.233 1012 G HA3 -0.294 3.681 3.960 0.024 0.000 0.233 1012 G C 0.446 175.374 174.900 0.047 0.000 1.103 1012 G CA 0.541 45.679 45.100 0.063 0.000 0.647 1012 G HN 0.719 nan 8.290 nan 0.000 0.512 1013 R N -0.592 119.814 120.500 -0.156 0.000 2.538 1013 R HA 0.652 5.007 4.340 0.024 0.000 0.292 1013 R C -1.669 174.394 176.300 -0.395 0.000 1.008 1013 R CA -0.557 55.479 56.100 -0.106 0.000 0.896 1013 R CB 1.416 31.678 30.300 -0.063 0.000 1.187 1013 R HN 0.224 nan 8.270 nan 0.000 0.440 1014 Y N 0.595 120.876 120.300 -0.033 0.000 2.477 1014 Y HA 0.349 4.913 4.550 0.024 0.000 0.347 1014 Y C -0.436 175.599 175.900 0.226 0.000 0.981 1014 Y CA -0.875 57.167 58.100 -0.097 0.000 1.033 1014 Y CB 2.134 40.335 38.460 -0.431 0.000 1.245 1014 Y HN 0.566 nan 8.280 nan 0.000 0.455 1015 H N 2.846 122.169 119.070 0.423 0.000 2.600 1015 H HA 0.631 5.201 4.556 0.024 0.000 0.357 1015 H C -1.682 174.020 175.328 0.623 0.000 1.106 1015 H CA -0.914 55.370 56.048 0.394 0.000 1.193 1015 H CB 1.217 31.111 29.762 0.220 0.000 1.594 1015 H HN 0.596 nan 8.280 nan 0.000 0.526 1016 Y N 1.193 121.385 120.300 -0.181 0.000 2.597 1016 Y HA 0.543 5.108 4.550 0.024 0.000 0.340 1016 Y C -1.937 173.781 175.900 -0.303 0.000 1.097 1016 Y CA -1.067 56.972 58.100 -0.102 0.000 1.037 1016 Y CB 1.586 40.053 38.460 0.012 0.000 1.305 1016 Y HN 0.623 nan 8.280 nan 0.000 0.463 1017 Q N 3.105 122.870 119.800 -0.058 0.000 2.285 1017 Q HA 0.644 4.998 4.340 0.024 0.000 0.269 1017 Q C -1.856 174.207 176.000 0.105 0.000 1.030 1017 Q CA -0.750 55.012 55.803 -0.069 0.000 0.788 1017 Q CB 3.183 31.942 28.738 0.034 0.000 1.266 1017 Q HN 0.726 nan 8.270 nan 0.000 0.438 1018 L N 1.442 122.712 121.223 0.078 0.000 2.354 1018 L HA 0.711 5.066 4.340 0.024 0.000 0.269 1018 L C -0.864 176.121 176.870 0.192 0.000 1.005 1018 L CA -1.058 53.884 54.840 0.170 0.000 0.819 1018 L CB 2.257 44.400 42.059 0.141 0.000 1.311 1018 L HN 0.324 nan 8.230 nan 0.000 0.423 1019 V N 1.655 121.716 119.914 0.244 0.000 2.444 1019 V HA 0.410 4.544 4.120 0.024 0.000 0.294 1019 V C -1.278 175.004 176.094 0.313 0.000 1.022 1019 V CA -0.388 62.067 62.300 0.258 0.000 0.850 1019 V CB 1.835 33.783 31.823 0.208 0.000 0.992 1019 V HN 0.596 nan 8.190 nan 0.000 0.426 1020 W N 7.259 128.637 121.300 0.131 0.000 2.520 1020 W HA 0.734 5.408 4.660 0.024 0.000 0.323 1020 W C -0.247 176.276 176.519 0.008 0.000 1.062 1020 W CA -1.022 56.323 57.345 -0.001 0.000 1.215 1020 W CB 1.479 30.986 29.460 0.079 0.000 1.340 1020 W HN 0.872 nan 8.180 nan 0.000 0.516 1021 C N 3.449 123.094 119.300 0.575 0.000 3.272 1021 C HA 0.617 5.091 4.460 0.024 0.000 0.363 1021 C C -0.943 174.169 174.990 0.202 0.000 1.514 1021 C CA -0.856 58.358 59.018 0.326 0.000 1.185 1021 C CB 1.560 29.422 27.740 0.203 0.000 1.716 1021 C HN 0.730 nan 8.230 nan 0.000 0.440 1022 Q N 1.636 121.488 119.800 0.088 0.000 2.331 1022 Q HA 0.613 4.967 4.340 0.024 0.000 0.267 1022 Q C -0.773 175.222 176.000 -0.008 0.000 1.006 1022 Q CA -0.266 55.532 55.803 -0.009 0.000 0.818 1022 Q CB 1.706 30.407 28.738 -0.062 0.000 1.276 1022 Q HN 0.841 nan 8.270 nan 0.000 0.450 1023 K N 0.000 120.381 120.400 -0.032 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 1023 K CB 0.000 32.502 32.500 0.003 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543