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_C 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 0.000 176.081 176.300 -0.365 0.000 0.893 13 R CA 0.000 55.963 56.100 -0.228 0.000 0.921 13 R CB 0.000 30.167 30.300 -0.222 0.000 0.687 14 R N 2.003 122.171 120.500 -0.553 0.000 3.127 14 R HA -0.149 4.207 4.340 0.025 0.000 0.247 14 R C -0.283 175.430 176.300 -0.978 0.000 0.896 14 R CA 0.774 56.113 56.100 -1.267 0.000 0.624 14 R CB -1.130 28.653 30.300 -0.861 0.000 1.154 14 R HN 0.301 nan 8.270 nan 0.000 0.474 15 D N -0.255 119.737 120.400 -0.680 0.000 2.219 15 D HA -0.169 4.487 4.640 0.025 0.000 0.205 15 D C 1.611 177.763 176.300 -0.247 0.000 0.970 15 D CA 1.621 55.337 54.000 -0.473 0.000 0.851 15 D CB -0.127 40.232 40.800 -0.736 0.000 0.943 15 D HN 0.716 nan 8.370 nan 0.000 0.488 16 W N 1.586 122.886 121.300 -0.001 0.000 2.848 16 W HA 0.066 4.741 4.660 0.025 0.000 0.241 16 W C 0.684 177.295 176.519 0.153 0.000 1.289 16 W CA -0.027 57.428 57.345 0.184 0.000 1.396 16 W CB -0.370 29.250 29.460 0.266 0.000 1.138 16 W HN -0.169 nan 8.180 nan 0.000 0.677 17 E N 0.801 120.820 120.200 -0.302 0.000 2.989 17 E HA 0.053 4.418 4.350 0.025 0.000 0.207 17 E C -0.731 175.731 176.600 -0.230 0.000 0.989 17 E CA -0.248 56.052 56.400 -0.166 0.000 1.186 17 E CB -0.237 29.384 29.700 -0.131 0.000 1.141 17 E HN 0.028 nan 8.360 nan 0.000 0.454 18 N N 0.604 119.190 118.700 -0.189 0.000 2.571 18 N HA 0.148 4.903 4.740 0.025 0.000 0.286 18 N C -2.393 172.980 175.510 -0.228 0.000 1.138 18 N CA -2.013 50.892 53.050 -0.242 0.000 0.859 18 N CB 1.476 39.830 38.487 -0.222 0.000 1.414 18 N HN -0.188 nan 8.380 nan 0.000 0.529 19 P HA 0.067 nan 4.420 nan 0.000 0.230 19 P C 1.050 178.111 177.300 -0.398 0.000 1.158 19 P CA 0.654 63.426 63.100 -0.546 0.000 0.769 19 P CB 0.163 31.063 31.700 -1.334 0.000 0.807 20 G N -0.572 108.036 108.800 -0.321 0.000 2.623 20 G HA2 0.065 4.040 3.960 0.025 0.000 0.214 20 G HA3 0.065 4.040 3.960 0.025 0.000 0.214 20 G C 0.252 175.072 174.900 -0.134 0.000 1.138 20 G CA 0.183 45.148 45.100 -0.224 0.000 0.794 20 G HN 0.206 nan 8.290 nan 0.000 0.535 21 V N 1.732 121.584 119.914 -0.105 0.000 2.325 21 V HA 0.267 4.402 4.120 0.025 0.000 0.280 21 V C 0.842 176.987 176.094 0.085 0.000 1.016 21 V CA 0.030 62.320 62.300 -0.017 0.000 0.818 21 V CB 1.203 32.998 31.823 -0.046 0.000 1.019 21 V HN 0.319 nan 8.190 nan 0.000 0.434 22 T N 0.841 115.440 114.554 0.074 0.000 3.022 22 T HA 0.325 4.690 4.350 0.025 0.000 0.250 22 T C 0.326 175.069 174.700 0.072 0.000 1.060 22 T CA 0.190 62.337 62.100 0.078 0.000 1.013 22 T CB 0.263 69.133 68.868 0.003 0.000 0.982 22 T HN 0.713 nan 8.240 nan 0.000 0.508 23 Q N 0.155 120.048 119.800 0.154 0.000 2.848 23 Q HA 0.636 4.991 4.340 0.025 0.000 0.288 23 Q C -2.360 173.783 176.000 0.238 0.000 0.907 23 Q CA -1.020 54.873 55.803 0.150 0.000 0.792 23 Q CB 0.621 29.355 28.738 -0.005 0.000 1.534 23 Q HN 0.210 nan 8.270 nan 0.000 0.419 24 L N 1.725 123.117 121.223 0.281 0.000 2.439 24 L HA 0.620 4.975 4.340 0.025 0.000 0.270 24 L C -0.603 176.392 176.870 0.208 0.000 0.972 24 L CA -0.826 54.173 54.840 0.265 0.000 0.836 24 L CB 1.811 44.130 42.059 0.433 0.000 1.255 24 L HN 0.837 nan 8.230 nan 0.000 0.404 25 N N 0.740 119.524 118.700 0.141 0.000 2.800 25 N HA -0.201 4.555 4.740 0.025 0.000 0.250 25 N C 0.270 175.846 175.510 0.109 0.000 1.078 25 N CA 0.770 53.890 53.050 0.117 0.000 0.804 25 N CB -0.789 37.728 38.487 0.050 0.000 1.135 25 N HN 0.659 nan 8.380 nan 0.000 0.565 26 R N 1.124 121.611 120.500 -0.022 0.000 2.491 26 R HA 0.285 4.640 4.340 0.025 0.000 0.283 26 R C 0.603 176.745 176.300 -0.264 0.000 1.072 26 R CA -0.183 55.666 56.100 -0.419 0.000 1.048 26 R CB 0.440 30.504 30.300 -0.394 0.000 0.983 26 R HN 0.141 nan 8.270 nan 0.000 0.450 27 L N 3.232 124.269 121.223 -0.310 0.000 2.464 27 L HA 0.238 4.593 4.340 0.025 0.000 0.264 27 L C 0.737 177.550 176.870 -0.094 0.000 1.199 27 L CA -0.496 54.268 54.840 -0.127 0.000 0.818 27 L CB 0.637 42.654 42.059 -0.070 0.000 1.102 27 L HN 0.766 nan 8.230 nan 0.000 0.473 28 A N 1.677 124.486 122.820 -0.018 0.000 2.520 28 A HA 0.422 4.757 4.320 0.025 0.000 0.235 28 A C 0.456 178.051 177.584 0.019 0.000 1.065 28 A CA 0.094 52.132 52.037 0.001 0.000 0.764 28 A CB 0.092 19.117 19.000 0.042 0.000 1.002 28 A HN 0.824 nan 8.150 nan 0.000 0.502 29 A N 1.643 124.425 122.820 -0.064 0.000 2.386 29 A HA 0.641 4.976 4.320 0.025 0.000 0.246 29 A C 0.207 177.696 177.584 -0.158 0.000 1.089 29 A CA 0.718 52.642 52.037 -0.189 0.000 0.790 29 A CB -0.108 18.772 19.000 -0.199 0.000 1.042 29 A HN 2.104 nan 8.150 nan 0.000 0.497 30 H N -2.834 116.104 119.070 -0.220 0.000 2.904 30 H HA 0.595 5.166 4.556 0.025 0.000 0.290 30 H C -3.446 171.627 175.328 -0.425 0.000 1.437 30 H CA -1.655 54.216 56.048 -0.296 0.000 1.147 30 H CB 0.015 29.570 29.762 -0.344 0.000 1.824 30 H HN 0.384 nan 8.280 nan 0.000 0.505 31 P HA 0.224 nan 4.420 nan 0.000 0.274 31 P C -2.597 174.547 177.300 -0.260 0.000 1.246 31 P CA -1.472 61.459 63.100 -0.283 0.000 0.795 31 P CB -0.300 31.185 31.700 -0.357 0.000 1.006 32 P HA 0.002 nan 4.420 nan 0.000 0.258 32 P C -0.780 176.677 177.300 0.262 0.000 1.172 32 P CA 1.218 64.334 63.100 0.025 0.000 0.762 32 P CB -0.254 31.512 31.700 0.108 0.000 0.764 33 F N 1.289 121.338 119.950 0.165 0.000 2.579 33 F HA 0.613 5.155 4.527 0.025 0.000 0.324 33 F C 1.022 176.754 175.800 -0.114 0.000 1.058 33 F CA -1.092 56.946 58.000 0.062 0.000 0.944 33 F CB 2.180 41.176 39.000 -0.007 0.000 1.245 33 F HN 0.205 nan 8.300 nan 0.000 0.477 34 A N 0.166 122.936 122.820 -0.084 0.000 2.530 34 A HA 0.271 4.606 4.320 0.025 0.000 0.214 34 A C 0.603 177.898 177.584 -0.481 0.000 1.352 34 A CA 0.449 52.192 52.037 -0.490 0.000 1.035 34 A CB -0.032 18.203 19.000 -1.274 0.000 1.296 34 A HN 0.762 nan 8.150 nan 0.000 0.563 35 S N 0.224 115.750 115.700 -0.290 0.000 3.628 35 S HA -0.135 4.350 4.470 0.025 0.000 0.373 35 S C -0.108 174.432 174.600 -0.100 0.000 0.968 35 S CA 0.395 58.489 58.200 -0.176 0.000 1.215 35 S CB -1.563 61.537 63.200 -0.166 0.000 0.912 35 S HN 0.481 nan 8.310 nan 0.000 0.495 36 W N 1.720 123.002 121.300 -0.029 0.000 2.170 36 W HA 0.285 4.960 4.660 0.025 0.000 0.336 36 W C 1.354 177.853 176.519 -0.032 0.000 1.283 36 W CA -0.577 56.756 57.345 -0.019 0.000 1.224 36 W CB 0.287 29.735 29.460 -0.020 0.000 1.132 36 W HN 0.310 nan 8.180 nan 0.000 0.571 37 R N 1.877 122.515 120.500 0.229 0.000 2.546 37 R HA 0.095 4.450 4.340 0.025 0.000 0.320 37 R C -0.090 176.270 176.300 0.099 0.000 1.021 37 R CA -0.093 56.080 56.100 0.120 0.000 1.088 37 R CB -0.106 30.235 30.300 0.068 0.000 1.278 37 R HN 0.383 nan 8.270 nan 0.000 0.557 38 N N 0.419 119.191 118.700 0.120 0.000 2.454 38 N HA 0.027 4.782 4.740 0.025 0.000 0.291 38 N C 0.415 175.894 175.510 -0.051 0.000 1.079 38 N CA 0.113 53.181 53.050 0.030 0.000 0.893 38 N CB 1.784 40.292 38.487 0.035 0.000 1.512 38 N HN -0.104 nan 8.380 nan 0.000 0.497 39 S N 2.873 118.525 115.700 -0.080 0.000 2.359 39 S HA -0.206 4.279 4.470 0.025 0.000 0.224 39 S C 1.479 175.917 174.600 -0.269 0.000 1.035 39 S CA 1.114 59.227 58.200 -0.146 0.000 1.018 39 S CB -0.283 62.864 63.200 -0.089 0.000 0.876 39 S HN 0.715 nan 8.310 nan 0.000 0.448 40 E N 2.009 122.069 120.200 -0.233 0.000 2.097 40 E HA -0.192 4.173 4.350 0.025 0.000 0.196 40 E C 1.965 178.347 176.600 -0.362 0.000 1.000 40 E CA 1.823 58.047 56.400 -0.293 0.000 0.804 40 E CB -0.406 29.176 29.700 -0.197 0.000 0.740 40 E HN 0.768 nan 8.360 nan 0.000 0.454 41 E N -0.219 119.775 120.200 -0.344 0.000 2.072 41 E HA -0.128 4.237 4.350 0.025 0.000 0.191 41 E C 2.123 178.161 176.600 -0.936 0.000 0.985 41 E CA 0.852 57.002 56.400 -0.417 0.000 0.801 41 E CB -0.245 29.330 29.700 -0.208 0.000 0.750 41 E HN 0.358 nan 8.360 nan 0.000 0.452 42 A N 2.102 124.160 122.820 -1.270 0.000 1.902 42 A HA -0.220 4.115 4.320 0.025 0.000 0.217 42 A C 2.180 179.128 177.584 -1.060 0.000 1.181 42 A CA 1.578 52.445 52.037 -1.949 0.000 0.623 42 A CB -0.559 17.820 19.000 -1.036 0.000 0.818 42 A HN 0.095 nan 8.150 nan 0.000 0.443 43 R N -0.211 119.875 120.500 -0.689 0.000 2.127 43 R HA -0.136 4.219 4.340 0.025 0.000 0.238 43 R C 1.611 177.631 176.300 -0.468 0.000 1.134 43 R CA 1.985 57.739 56.100 -0.576 0.000 0.975 43 R CB -0.367 29.481 30.300 -0.754 0.000 0.865 43 R HN 0.636 nan 8.270 nan 0.000 0.447 44 T N -3.010 111.285 114.554 -0.432 0.000 3.105 44 T HA 0.088 4.453 4.350 0.025 0.000 0.253 44 T C 0.114 174.713 174.700 -0.169 0.000 1.047 44 T CA 0.281 62.222 62.100 -0.265 0.000 0.944 44 T CB 0.172 68.913 68.868 -0.212 0.000 1.016 44 T HN 0.281 nan 8.240 nan 0.000 0.544 45 D N 1.063 121.319 120.400 -0.240 0.000 2.772 45 D HA -0.158 4.497 4.640 0.025 0.000 0.233 45 D C -0.020 176.382 176.300 0.171 0.000 1.143 45 D CA 0.460 54.487 54.000 0.045 0.000 0.700 45 D CB -1.085 39.784 40.800 0.114 0.000 1.076 45 D HN 0.582 nan 8.370 nan 0.000 0.430 46 R N 0.460 121.032 120.500 0.118 0.000 2.560 46 R HA 0.480 4.835 4.340 0.025 0.000 0.270 46 R C -1.920 174.626 176.300 0.409 0.000 1.074 46 R CA -1.398 54.812 56.100 0.184 0.000 1.140 46 R CB 0.411 30.764 30.300 0.087 0.000 1.073 46 R HN 0.094 nan 8.270 nan 0.000 0.527 47 P HA -0.074 nan 4.420 nan 0.000 0.267 47 P C -0.789 176.669 177.300 0.263 0.000 1.201 47 P CA 0.135 63.373 63.100 0.230 0.000 0.775 47 P CB 0.765 32.552 31.700 0.144 0.000 0.854 48 S N 1.195 116.939 115.700 0.074 0.000 2.473 48 S HA 0.150 4.635 4.470 0.025 0.000 0.307 48 S C 1.182 175.790 174.600 0.014 0.000 1.094 48 S CA -0.670 57.504 58.200 -0.043 0.000 1.070 48 S CB 0.771 63.584 63.200 -0.646 0.000 1.019 48 S HN 0.342 nan 8.310 nan 0.000 0.480 49 Q N 3.329 123.177 119.800 0.079 0.000 2.364 49 Q HA -0.093 4.262 4.340 0.025 0.000 0.207 49 Q C 0.697 176.804 176.000 0.178 0.000 0.970 49 Q CA 1.112 56.995 55.803 0.133 0.000 0.888 49 Q CB -0.508 28.315 28.738 0.142 0.000 0.951 49 Q HN 0.723 nan 8.270 nan 0.000 0.469 50 Q N 0.392 120.209 119.800 0.028 0.000 2.444 50 Q HA 0.202 4.557 4.340 0.025 0.000 0.206 50 Q C -0.224 175.788 176.000 0.020 0.000 0.948 50 Q CA 0.199 55.955 55.803 -0.079 0.000 0.946 50 Q CB 0.296 28.929 28.738 -0.175 0.000 1.027 50 Q HN 0.213 nan 8.270 nan 0.000 0.513 51 L N 1.312 122.580 121.223 0.075 0.000 2.342 51 L HA 0.436 4.791 4.340 0.025 0.000 0.276 51 L C -1.147 175.818 176.870 0.158 0.000 0.997 51 L CA -0.625 54.272 54.840 0.095 0.000 0.838 51 L CB 0.987 43.013 42.059 -0.055 0.000 1.224 51 L HN 0.012 nan 8.230 nan 0.000 0.416 52 R N 2.686 123.317 120.500 0.217 0.000 2.637 52 R HA 0.672 5.027 4.340 0.025 0.000 0.291 52 R C -0.493 175.832 176.300 0.041 0.000 0.963 52 R CA -0.738 55.431 56.100 0.115 0.000 0.901 52 R CB 1.613 31.950 30.300 0.061 0.000 1.160 52 R HN 0.580 nan 8.270 nan 0.000 0.457 53 S N 2.366 118.080 115.700 0.023 0.000 2.513 53 S HA 0.229 4.714 4.470 0.025 0.000 0.276 53 S C 0.586 175.183 174.600 -0.005 0.000 1.254 53 S CA -0.781 57.422 58.200 0.004 0.000 1.053 53 S CB 0.436 63.647 63.200 0.019 0.000 0.958 53 S HN 0.669 nan 8.310 nan 0.000 0.491 54 L N 3.769 124.986 121.223 -0.011 0.000 2.741 54 L HA 0.272 4.627 4.340 0.025 0.000 0.237 54 L C 0.298 177.308 176.870 0.234 0.000 1.178 54 L CA -0.342 54.517 54.840 0.031 0.000 0.973 54 L CB -0.439 41.590 42.059 -0.051 0.000 1.255 54 L HN 0.552 nan 8.230 nan 0.000 0.498 55 N N 0.984 119.757 118.700 0.123 0.000 2.415 55 N HA 0.460 5.215 4.740 0.025 0.000 0.248 55 N C 0.723 176.349 175.510 0.194 0.000 1.271 55 N CA 1.052 54.179 53.050 0.128 0.000 0.913 55 N CB 1.259 39.764 38.487 0.029 0.000 1.129 55 N HN 0.296 nan 8.380 nan 0.000 0.444 56 G N 0.298 109.220 108.800 0.204 0.000 2.217 56 G HA2 -0.124 3.851 3.960 0.025 0.000 0.173 56 G HA3 -0.124 3.851 3.960 0.025 0.000 0.173 56 G C -1.386 173.713 174.900 0.331 0.000 1.324 56 G CA -0.773 44.454 45.100 0.212 0.000 1.225 56 G HN 0.493 nan 8.290 nan 0.000 0.494 57 E N 0.232 120.602 120.200 0.283 0.000 2.217 57 E HA 0.441 4.806 4.350 0.025 0.000 0.279 57 E C -0.922 175.919 176.600 0.402 0.000 1.068 57 E CA 0.033 56.607 56.400 0.289 0.000 0.882 57 E CB 0.733 30.533 29.700 0.167 0.000 1.039 57 E HN 0.357 nan 8.360 nan 0.000 0.418 58 W N 1.791 123.180 121.300 0.147 0.000 2.967 58 W HA 0.403 5.078 4.660 0.025 0.000 0.342 58 W C 0.008 176.651 176.519 0.207 0.000 1.162 58 W CA -0.714 56.750 57.345 0.199 0.000 1.085 58 W CB 0.956 30.585 29.460 0.282 0.000 1.460 58 W HN 0.189 nan 8.180 nan 0.000 0.584 59 R N 1.613 122.388 120.500 0.458 0.000 2.474 59 R HA 0.606 4.961 4.340 0.025 0.000 0.295 59 R C -1.475 175.071 176.300 0.411 0.000 0.980 59 R CA -0.867 55.439 56.100 0.343 0.000 0.934 59 R CB 1.321 31.768 30.300 0.245 0.000 1.101 59 R HN 0.511 nan 8.270 nan 0.000 0.469 60 F N 0.307 120.294 119.950 0.062 0.000 2.619 60 F HA 0.642 5.184 4.527 0.025 0.000 0.308 60 F C -1.650 174.006 175.800 -0.240 0.000 1.097 60 F CA -0.553 57.351 58.000 -0.160 0.000 0.953 60 F CB 2.047 40.818 39.000 -0.382 0.000 1.287 60 F HN 0.618 nan 8.300 nan 0.000 0.446 61 A N 4.087 126.075 122.820 -1.387 0.000 2.488 61 A HA 0.525 4.860 4.320 0.025 0.000 0.298 61 A C -2.460 174.110 177.584 -1.691 0.000 1.044 61 A CA -0.505 50.814 52.037 -1.197 0.000 0.693 61 A CB 0.701 19.305 19.000 -0.659 0.000 1.272 61 A HN 0.960 nan 8.150 nan 0.000 0.402 62 W N 2.738 123.163 121.300 -1.458 0.000 2.351 62 W HA 0.717 5.392 4.660 0.025 0.000 0.311 62 W C -1.647 174.186 176.519 -1.144 0.000 1.168 62 W CA -0.051 56.602 57.345 -1.154 0.000 1.200 62 W CB 0.828 29.927 29.460 -0.602 0.000 1.221 62 W HN 0.495 nan 8.180 nan 0.000 0.519 63 F N 6.561 125.700 119.950 -1.352 0.000 2.588 63 F HA 0.368 4.909 4.527 0.025 0.000 0.314 63 F C -1.358 173.413 175.800 -1.715 0.000 1.069 63 F CA -2.177 55.160 58.000 -1.106 0.000 0.931 63 F CB 1.897 40.466 39.000 -0.719 0.000 1.260 63 F HN 0.192 nan 8.300 nan 0.000 0.465 64 P HA 0.144 nan 4.420 nan 0.000 0.224 64 P C -0.441 176.739 177.300 -0.199 0.000 1.157 64 P CA 0.783 63.626 63.100 -0.429 0.000 0.799 64 P CB 0.711 32.441 31.700 0.050 0.000 0.809 65 A N -0.928 121.783 122.820 -0.180 0.000 2.608 65 A HA 0.537 4.872 4.320 0.025 0.000 0.292 65 A C -2.418 175.058 177.584 -0.180 0.000 1.066 65 A CA -1.045 50.929 52.037 -0.106 0.000 0.676 65 A CB 0.468 19.471 19.000 0.006 0.000 1.277 65 A HN -0.284 nan 8.150 nan 0.000 0.413 66 P HA -0.097 nan 4.420 nan 0.000 0.217 66 P C 0.685 177.877 177.300 -0.180 0.000 1.150 66 P CA 1.518 64.481 63.100 -0.228 0.000 0.832 66 P CB 0.162 31.715 31.700 -0.245 0.000 0.787 67 E N 0.042 120.200 120.200 -0.071 0.000 2.401 67 E HA -0.046 4.319 4.350 0.025 0.000 0.199 67 E C 1.887 178.418 176.600 -0.115 0.000 1.023 67 E CA 1.083 57.451 56.400 -0.052 0.000 0.859 67 E CB -0.685 29.024 29.700 0.015 0.000 0.780 67 E HN 0.245 nan 8.360 nan 0.000 0.523 68 A N 0.452 123.167 122.820 -0.176 0.000 2.275 68 A HA 0.130 4.465 4.320 0.025 0.000 0.212 68 A C 0.652 177.941 177.584 -0.492 0.000 1.201 68 A CA -0.180 51.747 52.037 -0.183 0.000 0.843 68 A CB 0.340 19.321 19.000 -0.033 0.000 0.873 68 A HN 0.035 nan 8.150 nan 0.000 0.492 69 V N 2.522 122.033 119.914 -0.671 0.000 2.583 69 V HA 0.254 4.389 4.120 0.025 0.000 0.287 69 V C -2.259 173.519 176.094 -0.526 0.000 1.051 69 V CA -1.558 60.113 62.300 -1.049 0.000 1.010 69 V CB 1.034 32.264 31.823 -0.989 0.000 0.988 69 V HN 0.301 nan 8.190 nan 0.000 0.478 70 P HA 0.305 nan 4.420 nan 0.000 0.287 70 P C 0.189 177.436 177.300 -0.088 0.000 1.281 70 P CA -0.390 62.604 63.100 -0.176 0.000 0.781 70 P CB 1.386 33.039 31.700 -0.078 0.000 0.903 71 E N 1.658 121.812 120.200 -0.077 0.000 2.187 71 E HA -0.198 4.167 4.350 0.025 0.000 0.199 71 E C 1.790 178.357 176.600 -0.056 0.000 1.004 71 E CA 1.981 58.339 56.400 -0.070 0.000 0.813 71 E CB -0.609 29.055 29.700 -0.060 0.000 0.736 71 E HN 0.529 nan 8.360 nan 0.000 0.468 72 S N -0.712 114.977 115.700 -0.019 0.000 2.423 72 S HA -0.180 4.305 4.470 0.025 0.000 0.231 72 S C 1.746 176.345 174.600 -0.001 0.000 1.014 72 S CA 0.712 58.903 58.200 -0.014 0.000 0.965 72 S CB -0.818 62.388 63.200 0.011 0.000 0.785 72 S HN 0.557 nan 8.310 nan 0.000 0.495 73 W N 2.611 123.816 121.300 -0.159 0.000 2.359 73 W HA -0.021 4.654 4.660 0.025 0.000 0.275 73 W C 1.425 177.829 176.519 -0.192 0.000 1.217 73 W CA 0.766 58.019 57.345 -0.154 0.000 1.196 73 W CB -0.288 29.064 29.460 -0.180 0.000 1.129 73 W HN 0.234 nan 8.180 nan 0.000 0.566 74 L N -0.078 120.900 121.223 -0.408 0.000 2.095 74 L HA -0.087 4.268 4.340 0.025 0.000 0.204 74 L C 2.036 178.666 176.870 -0.401 0.000 1.080 74 L CA 1.599 56.053 54.840 -0.643 0.000 0.759 74 L CB -0.816 40.901 42.059 -0.571 0.000 0.914 74 L HN -0.059 nan 8.230 nan 0.000 0.439 75 E N -1.341 118.717 120.200 -0.236 0.000 2.447 75 E HA -0.007 4.359 4.350 0.025 0.000 0.195 75 E C 0.251 176.777 176.600 -0.123 0.000 1.028 75 E CA 0.111 56.424 56.400 -0.146 0.000 0.876 75 E CB 0.527 30.177 29.700 -0.082 0.000 0.885 75 E HN 0.523 nan 8.360 nan 0.000 0.500 76 C N -1.002 118.221 119.300 -0.129 0.000 3.239 76 C HA 0.399 4.875 4.460 0.025 0.000 0.329 76 C C -0.839 174.127 174.990 -0.040 0.000 1.252 76 C CA -1.545 57.427 59.018 -0.077 0.000 1.323 76 C CB 1.035 28.754 27.740 -0.036 0.000 1.663 76 C HN 0.138 nan 8.230 nan 0.000 0.487 77 D N 1.155 121.550 120.400 -0.009 0.000 2.488 77 D HA 0.342 4.997 4.640 0.025 0.000 0.238 77 D C -0.128 176.235 176.300 0.106 0.000 1.138 77 D CA 0.372 54.408 54.000 0.061 0.000 0.873 77 D CB 0.553 41.383 40.800 0.051 0.000 1.183 77 D HN 0.600 nan 8.370 nan 0.000 0.458 78 L N 6.132 127.465 121.223 0.183 0.000 2.331 78 L HA 0.271 4.626 4.340 0.025 0.000 0.278 78 L C -1.155 175.772 176.870 0.095 0.000 1.106 78 L CA -1.367 53.562 54.840 0.150 0.000 0.824 78 L CB 1.228 43.389 42.059 0.171 0.000 1.142 78 L HN 0.527 nan 8.230 nan 0.000 0.443 79 P HA -0.101 nan 4.420 nan 0.000 0.222 79 P C 0.647 177.971 177.300 0.040 0.000 1.153 79 P CA 0.969 64.098 63.100 0.048 0.000 0.798 79 P CB 0.322 32.044 31.700 0.037 0.000 0.796 80 E N 0.530 120.750 120.200 0.034 0.000 2.358 80 E HA 0.129 4.495 4.350 0.025 0.000 0.195 80 E C 1.194 177.798 176.600 0.006 0.000 1.010 80 E CA 0.161 56.568 56.400 0.011 0.000 0.856 80 E CB -0.950 28.741 29.700 -0.014 0.000 0.795 80 E HN 0.206 nan 8.360 nan 0.000 0.504 81 A N 1.581 124.412 122.820 0.018 0.000 2.507 81 A HA 0.039 4.374 4.320 0.025 0.000 0.235 81 A C 0.031 177.657 177.584 0.070 0.000 1.070 81 A CA 0.070 52.117 52.037 0.017 0.000 0.768 81 A CB 0.213 19.256 19.000 0.072 0.000 1.011 81 A HN 0.005 nan 8.150 nan 0.000 0.502 82 D N 0.060 120.531 120.400 0.118 0.000 2.384 82 D HA 0.452 5.107 4.640 0.025 0.000 0.250 82 D C -0.558 175.843 176.300 0.169 0.000 1.029 82 D CA -0.025 54.066 54.000 0.150 0.000 0.990 82 D CB 1.367 42.294 40.800 0.212 0.000 1.175 82 D HN 0.427 nan 8.370 nan 0.000 0.532 83 T N 0.645 115.280 114.554 0.135 0.000 2.733 83 T HA 0.434 4.799 4.350 0.025 0.000 0.294 83 T C 0.082 174.855 174.700 0.122 0.000 0.956 83 T CA -0.572 61.614 62.100 0.143 0.000 0.987 83 T CB 0.677 69.612 68.868 0.112 0.000 0.920 83 T HN 0.268 nan 8.240 nan 0.000 0.470 84 V N 1.936 121.949 119.914 0.165 0.000 2.914 84 V HA 0.791 4.926 4.120 0.025 0.000 0.314 84 V C -0.291 175.913 176.094 0.184 0.000 1.084 84 V CA -0.921 61.441 62.300 0.103 0.000 0.963 84 V CB 1.864 33.733 31.823 0.076 0.000 1.025 84 V HN 0.517 nan 8.190 nan 0.000 0.432 85 V N 3.686 123.688 119.914 0.146 0.000 2.583 85 V HA 0.431 4.566 4.120 0.025 0.000 0.287 85 V C 0.086 176.269 176.094 0.148 0.000 1.051 85 V CA 0.024 62.416 62.300 0.153 0.000 1.010 85 V CB 1.471 33.357 31.823 0.104 0.000 0.988 85 V HN 0.784 nan 8.190 nan 0.000 0.478 86 V N 8.014 127.958 119.914 0.050 0.000 2.495 86 V HA 0.481 4.616 4.120 0.025 0.000 0.298 86 V C -2.221 173.787 176.094 -0.143 0.000 1.031 86 V CA -1.589 60.616 62.300 -0.159 0.000 0.871 86 V CB 2.151 33.585 31.823 -0.648 0.000 0.988 86 V HN 0.763 nan 8.190 nan 0.000 0.432 87 P HA 0.626 nan 4.420 nan 0.000 0.281 87 P C -0.875 176.362 177.300 -0.105 0.000 1.264 87 P CA -0.383 62.607 63.100 -0.185 0.000 0.824 87 P CB 1.701 33.291 31.700 -0.183 0.000 1.092 88 S N -0.568 115.081 115.700 -0.086 0.000 2.656 88 S HA 0.371 4.856 4.470 0.025 0.000 0.265 88 S C -1.488 173.039 174.600 -0.121 0.000 1.110 88 S CA -1.026 57.107 58.200 -0.112 0.000 0.821 88 S CB 0.018 63.119 63.200 -0.164 0.000 1.099 88 S HN 0.350 nan 8.310 nan 0.000 0.471 89 N N 1.074 119.634 118.700 -0.233 0.000 2.424 89 N HA 0.448 5.203 4.740 0.025 0.000 0.271 89 N C 0.540 175.841 175.510 -0.349 0.000 0.985 89 N CA -0.788 52.083 53.050 -0.299 0.000 0.921 89 N CB 0.693 38.971 38.487 -0.348 0.000 1.149 89 N HN 0.837 nan 8.380 nan 0.000 0.492 90 W N 2.731 123.878 121.300 -0.256 0.000 2.350 90 W HA -0.145 4.530 4.660 0.026 0.000 0.289 90 W C 1.009 177.514 176.519 -0.023 0.000 1.215 90 W CA 1.044 58.242 57.345 -0.246 0.000 1.236 90 W CB -0.518 28.752 29.460 -0.317 0.000 1.130 90 W HN 0.489 nan 8.180 nan 0.000 0.541 91 Q N 0.340 120.135 119.800 -0.008 0.000 2.181 91 Q HA -0.154 4.201 4.340 0.025 0.000 0.205 91 Q C 2.142 178.117 176.000 -0.043 0.000 0.980 91 Q CA 2.006 57.821 55.803 0.020 0.000 0.862 91 Q CB -0.680 27.936 28.738 -0.205 0.000 0.905 91 Q HN 0.252 nan 8.270 nan 0.000 0.429 92 M N -0.852 118.663 119.600 -0.141 0.000 2.630 92 M HA -0.051 4.444 4.480 0.025 0.000 0.254 92 M C 0.620 176.962 176.300 0.070 0.000 1.092 92 M CA 1.365 56.594 55.300 -0.117 0.000 1.087 92 M CB -0.555 31.942 32.600 -0.173 0.000 1.453 92 M HN 0.389 nan 8.290 nan 0.000 0.509 93 H N -1.486 117.643 119.070 0.099 0.000 2.705 93 H HA 0.307 4.878 4.556 0.025 0.000 0.269 93 H C 1.311 176.579 175.328 -0.099 0.000 0.998 93 H CA 0.201 56.301 56.048 0.088 0.000 1.193 93 H CB 0.656 30.593 29.762 0.292 0.000 1.485 93 H HN 0.506 nan 8.280 nan 0.000 0.521 94 G N 0.516 109.355 108.800 0.064 0.000 2.157 94 G HA2 -0.345 3.630 3.960 0.025 0.000 0.239 94 G HA3 -0.345 3.630 3.960 0.025 0.000 0.239 94 G C 0.376 175.141 174.900 -0.225 0.000 0.982 94 G CA 0.245 45.291 45.100 -0.091 0.000 0.650 94 G HN 0.430 nan 8.290 nan 0.000 0.527 95 Y N 1.753 122.087 120.300 0.056 0.000 2.274 95 Y HA 0.215 4.780 4.550 0.025 0.000 0.290 95 Y C 1.677 177.326 175.900 -0.419 0.000 1.145 95 Y CA 1.699 59.682 58.100 -0.194 0.000 1.203 95 Y CB 0.105 38.499 38.460 -0.109 0.000 0.984 95 Y HN 0.658 nan 8.280 nan 0.000 0.533 96 D N -2.098 118.380 120.400 0.130 0.000 2.665 96 D HA 0.481 5.136 4.640 0.025 0.000 0.287 96 D C -1.193 175.222 176.300 0.192 0.000 1.266 96 D CA -0.794 53.291 54.000 0.142 0.000 0.830 96 D CB 0.777 41.756 40.800 0.297 0.000 1.356 96 D HN -0.047 nan 8.370 nan 0.000 0.437 97 A N 0.066 122.999 122.820 0.189 0.000 2.327 97 A HA 0.690 5.025 4.320 0.025 0.000 0.283 97 A C -2.325 175.322 177.584 0.105 0.000 1.127 97 A CA -1.144 50.993 52.037 0.166 0.000 0.810 97 A CB 0.122 19.270 19.000 0.246 0.000 1.066 97 A HN 0.535 nan 8.150 nan 0.000 0.492 98 P HA 0.442 nan 4.420 nan 0.000 0.284 98 P C -0.945 176.522 177.300 0.278 0.000 1.253 98 P CA 0.039 63.083 63.100 -0.094 0.000 0.800 98 P CB 0.866 32.190 31.700 -0.627 0.000 0.961 99 I N 2.996 123.827 120.570 0.434 0.000 2.378 99 I HA 0.251 4.436 4.170 0.025 0.000 0.291 99 I C -0.390 175.942 176.117 0.357 0.000 0.992 99 I CA -1.003 60.558 61.300 0.434 0.000 1.154 99 I CB 1.409 39.591 38.000 0.304 0.000 1.315 99 I HN 0.301 nan 8.210 nan 0.000 0.448 100 Y N 6.315 126.573 120.300 -0.069 0.000 2.491 100 Y HA 0.484 5.049 4.550 0.025 0.000 0.334 100 Y C -0.234 175.508 175.900 -0.263 0.000 0.969 100 Y CA -0.408 57.359 58.100 -0.555 0.000 1.241 100 Y CB 1.007 38.504 38.460 -1.605 0.000 1.105 100 Y HN 0.552 nan 8.280 nan 0.000 0.503 101 T N 4.923 118.979 114.554 -0.830 0.000 2.893 101 T HA 0.268 4.633 4.350 0.025 0.000 0.291 101 T C 0.210 174.481 174.700 -0.714 0.000 1.028 101 T CA -0.583 61.046 62.100 -0.785 0.000 0.995 101 T CB 1.194 69.844 68.868 -0.363 0.000 1.051 101 T HN 0.751 nan 8.240 nan 0.000 0.470 102 N N 2.449 120.787 118.700 -0.603 0.000 2.288 102 N HA 0.071 4.826 4.740 0.025 0.000 0.199 102 N C 1.576 176.865 175.510 -0.369 0.000 1.043 102 N CA 1.504 54.360 53.050 -0.324 0.000 0.947 102 N CB -0.668 37.671 38.487 -0.246 0.000 1.140 102 N HN 0.364 nan 8.380 nan 0.000 0.490 103 V N 0.261 119.867 119.914 -0.514 0.000 2.492 103 V HA 0.098 4.233 4.120 0.025 0.000 0.241 103 V C 0.333 176.123 176.094 -0.507 0.000 1.041 103 V CA 0.942 62.835 62.300 -0.679 0.000 1.057 103 V CB -0.741 30.567 31.823 -0.859 0.000 0.711 103 V HN 0.365 nan 8.190 nan 0.000 0.468 104 T N 1.554 115.878 114.554 -0.384 0.000 2.792 104 T HA 0.071 4.436 4.350 0.025 0.000 0.286 104 T C -0.260 174.312 174.700 -0.213 0.000 0.970 104 T CA 0.319 62.267 62.100 -0.255 0.000 1.187 104 T CB -0.554 68.192 68.868 -0.203 0.000 0.915 104 T HN 0.196 nan 8.240 nan 0.000 0.529 105 Y N 5.026 125.227 120.300 -0.165 0.000 2.757 105 Y HA 0.064 4.629 4.550 0.025 0.000 0.344 105 Y C -0.817 174.955 175.900 -0.214 0.000 1.263 105 Y CA -1.591 56.399 58.100 -0.184 0.000 1.493 105 Y CB 0.353 38.695 38.460 -0.196 0.000 1.342 105 Y HN 0.509 nan 8.280 nan 0.000 0.627 106 P HA 0.028 nan 4.420 nan 0.000 0.245 106 P C -0.463 176.624 177.300 -0.354 0.000 1.212 106 P CA 0.984 63.973 63.100 -0.186 0.000 0.774 106 P CB -0.025 31.570 31.700 -0.177 0.000 0.999 107 I N -5.696 114.649 120.570 -0.375 0.000 3.042 107 I HA 0.509 4.694 4.170 0.025 0.000 0.310 107 I C -0.585 175.400 176.117 -0.221 0.000 1.117 107 I CA -1.223 59.823 61.300 -0.424 0.000 1.003 107 I CB 1.651 39.221 38.000 -0.716 0.000 1.228 107 I HN -0.477 nan 8.210 nan 0.000 0.443 108 T N 2.657 117.125 114.554 -0.144 0.000 2.934 108 T HA 0.144 4.509 4.350 0.025 0.000 0.306 108 T C 0.221 174.905 174.700 -0.028 0.000 1.042 108 T CA -0.233 61.835 62.100 -0.053 0.000 1.145 108 T CB 0.510 69.373 68.868 -0.009 0.000 0.982 108 T HN 0.394 nan 8.240 nan 0.000 0.544 109 V N 4.777 124.693 119.914 0.004 0.000 2.364 109 V HA 0.194 4.329 4.120 0.025 0.000 0.252 109 V C 0.713 176.871 176.094 0.107 0.000 1.075 109 V CA -0.140 62.192 62.300 0.052 0.000 1.033 109 V CB -0.527 31.314 31.823 0.030 0.000 1.116 109 V HN 0.872 nan 8.190 nan 0.000 0.488 110 N N 5.856 124.692 118.700 0.227 0.000 2.700 110 N HA 0.279 5.034 4.740 0.025 0.000 0.242 110 N C -2.989 172.604 175.510 0.140 0.000 1.541 110 N CA -1.234 51.931 53.050 0.192 0.000 0.764 110 N CB 1.548 40.180 38.487 0.241 0.000 1.319 110 N HN 0.249 nan 8.380 nan 0.000 0.518 111 P HA 0.199 nan 4.420 nan 0.000 0.268 111 P C -2.375 174.670 177.300 -0.424 0.000 1.204 111 P CA -0.824 61.840 63.100 -0.728 0.000 0.768 111 P CB 0.613 31.808 31.700 -0.841 0.000 0.842 112 P HA 0.277 nan 4.420 nan 0.000 0.270 112 P C -0.634 176.438 177.300 -0.381 0.000 1.754 112 P CA -0.378 62.404 63.100 -0.530 0.000 1.202 112 P CB -0.032 31.410 31.700 -0.431 0.000 1.592 113 F N 0.712 120.751 119.950 0.148 0.000 2.370 113 F HA 0.378 4.920 4.527 0.026 0.000 0.324 113 F C 1.393 177.375 175.800 0.303 0.000 1.116 113 F CA -0.817 57.300 58.000 0.195 0.000 1.123 113 F CB 0.936 40.001 39.000 0.108 0.000 1.238 113 F HN -0.188 nan 8.300 nan 0.000 0.536 114 V N -1.218 118.984 119.914 0.482 0.000 3.158 114 V HA 0.711 4.846 4.120 0.025 0.000 0.315 114 V C -2.823 173.442 176.094 0.286 0.000 1.148 114 V CA -2.864 59.643 62.300 0.346 0.000 1.042 114 V CB 1.371 33.458 31.823 0.440 0.000 1.101 114 V HN 0.456 nan 8.190 nan 0.000 0.448 115 P HA 0.246 nan 4.420 nan 0.000 0.271 115 P C 1.062 178.511 177.300 0.248 0.000 1.216 115 P CA 0.418 63.627 63.100 0.181 0.000 0.776 115 P CB 0.896 32.669 31.700 0.122 0.000 0.881 116 T N -1.075 113.593 114.554 0.190 0.000 2.759 116 T HA -0.119 4.246 4.350 0.025 0.000 0.269 116 T C 0.609 175.423 174.700 0.189 0.000 1.042 116 T CA 1.079 63.292 62.100 0.188 0.000 1.140 116 T CB -0.479 68.464 68.868 0.124 0.000 0.864 116 T HN 0.277 nan 8.240 nan 0.000 0.455 117 E N 3.026 123.338 120.200 0.187 0.000 1.941 117 E HA 0.291 4.656 4.350 0.025 0.000 0.275 117 E C -0.761 175.998 176.600 0.265 0.000 1.113 117 E CA -0.176 56.339 56.400 0.191 0.000 0.878 117 E CB 0.376 30.189 29.700 0.188 0.000 1.070 117 E HN 0.381 nan 8.360 nan 0.000 0.399 118 N N 3.985 122.811 118.700 0.210 0.000 2.626 118 N HA 0.236 4.991 4.740 0.025 0.000 0.249 118 N C -2.813 172.719 175.510 0.037 0.000 1.021 118 N CA -2.380 50.816 53.050 0.243 0.000 0.886 118 N CB 1.049 39.667 38.487 0.219 0.000 1.149 118 N HN -0.054 nan 8.380 nan 0.000 0.517 119 P HA -0.045 nan 4.420 nan 0.000 0.259 119 P C -0.821 176.352 177.300 -0.211 0.000 1.155 119 P CA 0.652 63.679 63.100 -0.121 0.000 0.759 119 P CB 0.318 32.262 31.700 0.407 0.000 0.753 120 T N 2.680 116.861 114.554 -0.622 0.000 2.841 120 T HA 0.555 4.920 4.350 0.025 0.000 0.285 120 T C 0.243 174.464 174.700 -0.799 0.000 0.991 120 T CA -0.581 61.230 62.100 -0.482 0.000 0.966 120 T CB 1.647 70.279 68.868 -0.394 0.000 0.962 120 T HN 0.347 nan 8.240 nan 0.000 0.438 121 G N 1.064 109.507 108.800 -0.594 0.000 2.347 121 G HA2 0.475 4.450 3.960 0.025 0.000 0.314 121 G HA3 0.475 4.450 3.960 0.025 0.000 0.314 121 G C -0.211 174.575 174.900 -0.191 0.000 1.126 121 G CA -0.398 44.337 45.100 -0.610 0.000 0.929 121 G HN 0.880 nan 8.290 nan 0.000 0.441 122 C N 3.715 122.648 119.300 -0.611 0.000 2.176 122 C HA 0.438 4.913 4.460 0.025 0.000 0.329 122 C C -0.303 174.727 174.990 0.067 0.000 1.113 122 C CA -1.133 57.633 59.018 -0.421 0.000 1.562 122 C CB -1.891 25.004 27.740 -1.408 0.000 2.040 122 C HN 0.625 nan 8.230 nan 0.000 0.460 123 Y N 1.706 122.312 120.300 0.510 0.000 2.374 123 Y HA 0.636 5.202 4.550 0.025 0.000 0.322 123 Y C 0.942 177.323 175.900 0.802 0.000 1.275 123 Y CA -0.257 58.259 58.100 0.694 0.000 1.307 123 Y CB 1.088 39.954 38.460 0.677 0.000 1.282 123 Y HN 0.654 nan 8.280 nan 0.000 0.509 124 S N 1.261 117.483 115.700 0.869 0.000 2.543 124 S HA 0.714 5.199 4.470 0.025 0.000 0.274 124 S C -1.888 172.744 174.600 0.052 0.000 1.149 124 S CA -0.830 57.626 58.200 0.426 0.000 0.866 124 S CB 1.709 65.080 63.200 0.285 0.000 1.111 124 S HN 0.659 nan 8.310 nan 0.000 0.457 125 L N 1.112 122.174 121.223 -0.268 0.000 2.482 125 L HA 0.770 5.125 4.340 0.025 0.000 0.263 125 L C -1.196 175.623 176.870 -0.084 0.000 0.957 125 L CA 0.079 54.624 54.840 -0.491 0.000 0.836 125 L CB 2.450 43.605 42.059 -1.508 0.000 1.324 125 L HN 0.913 nan 8.230 nan 0.000 0.406 126 T N 5.269 119.806 114.554 -0.028 0.000 2.771 126 T HA 0.759 5.124 4.350 0.025 0.000 0.281 126 T C -0.873 173.890 174.700 0.105 0.000 0.982 126 T CA -0.087 62.023 62.100 0.018 0.000 0.978 126 T CB 0.417 69.249 68.868 -0.060 0.000 0.930 126 T HN 0.471 nan 8.240 nan 0.000 0.447 127 F N 0.682 120.535 119.950 -0.162 0.000 2.741 127 F HA 0.719 5.261 4.527 0.025 0.000 0.313 127 F C -0.989 174.736 175.800 -0.126 0.000 1.153 127 F CA -1.554 56.357 58.000 -0.149 0.000 0.931 127 F CB 1.323 40.215 39.000 -0.180 0.000 1.335 127 F HN 0.404 nan 8.300 nan 0.000 0.460 128 N N 0.261 118.849 118.700 -0.186 0.000 2.456 128 N HA 0.646 5.401 4.740 0.025 0.000 0.296 128 N C -1.994 173.403 175.510 -0.188 0.000 1.102 128 N CA -0.488 52.409 53.050 -0.254 0.000 0.924 128 N CB 2.035 40.432 38.487 -0.149 0.000 1.186 128 N HN 0.659 nan 8.380 nan 0.000 0.492 129 V N 2.569 122.341 119.914 -0.237 0.000 2.444 129 V HA 0.244 4.379 4.120 0.025 0.000 0.294 129 V C -0.210 175.772 176.094 -0.186 0.000 1.022 129 V CA -1.008 61.167 62.300 -0.208 0.000 0.850 129 V CB 1.271 33.027 31.823 -0.111 0.000 0.992 129 V HN 0.784 nan 8.190 nan 0.000 0.426 130 D N 2.926 123.155 120.400 -0.285 0.000 2.424 130 D HA 0.005 4.660 4.640 0.025 0.000 0.244 130 D C 1.059 177.366 176.300 0.011 0.000 1.134 130 D CA 0.061 53.977 54.000 -0.139 0.000 0.881 130 D CB 1.654 42.371 40.800 -0.138 0.000 1.191 130 D HN 0.782 nan 8.370 nan 0.000 0.445 131 E N 1.835 122.054 120.200 0.032 0.000 2.130 131 E HA -0.246 4.119 4.350 0.025 0.000 0.196 131 E C 1.848 178.520 176.600 0.119 0.000 0.998 131 E CA 1.986 58.426 56.400 0.067 0.000 0.806 131 E CB -0.040 29.683 29.700 0.039 0.000 0.738 131 E HN 0.504 nan 8.360 nan 0.000 0.459 132 S N -0.945 114.836 115.700 0.134 0.000 2.440 132 S HA -0.182 4.303 4.470 0.025 0.000 0.238 132 S C 1.589 176.268 174.600 0.132 0.000 1.010 132 S CA 1.030 59.306 58.200 0.127 0.000 0.972 132 S CB -0.621 62.645 63.200 0.109 0.000 0.774 132 S HN 0.459 nan 8.310 nan 0.000 0.501 133 W N 1.263 122.502 121.300 -0.103 0.000 2.576 133 W HA 0.432 5.107 4.660 0.025 0.000 0.270 133 W C 2.024 178.592 176.519 0.081 0.000 1.255 133 W CA -0.204 57.063 57.345 -0.130 0.000 1.314 133 W CB -0.353 29.088 29.460 -0.032 0.000 1.101 133 W HN 0.281 nan 8.180 nan 0.000 0.595 134 L N -0.520 120.876 121.223 0.288 0.000 2.375 134 L HA -0.063 4.292 4.340 0.025 0.000 0.215 134 L C 2.182 179.142 176.870 0.151 0.000 1.108 134 L CA 0.585 55.551 54.840 0.210 0.000 0.830 134 L CB -0.567 41.582 42.059 0.150 0.000 0.959 134 L HN -0.157 nan 8.230 nan 0.000 0.457 135 Q N 0.235 120.111 119.800 0.128 0.000 2.224 135 Q HA 0.040 4.395 4.340 0.025 0.000 0.203 135 Q C 0.132 176.188 176.000 0.092 0.000 0.970 135 Q CA 1.043 56.900 55.803 0.090 0.000 0.865 135 Q CB 0.309 29.087 28.738 0.067 0.000 0.922 135 Q HN 0.394 nan 8.270 nan 0.000 0.445 136 E N -2.477 117.801 120.200 0.131 0.000 2.390 136 E HA 0.485 4.851 4.350 0.025 0.000 0.280 136 E C -0.616 176.119 176.600 0.225 0.000 0.992 136 E CA -0.127 56.350 56.400 0.129 0.000 0.790 136 E CB 1.759 31.518 29.700 0.097 0.000 1.248 136 E HN 0.186 nan 8.360 nan 0.000 0.447 137 G N 1.617 110.469 108.800 0.088 0.000 2.681 137 G HA2 -0.257 3.718 3.960 0.025 0.000 0.220 137 G HA3 -0.257 3.718 3.960 0.025 0.000 0.220 137 G C -0.757 174.052 174.900 -0.151 0.000 1.353 137 G CA 0.007 45.044 45.100 -0.104 0.000 0.872 137 G HN 0.511 nan 8.290 nan 0.000 0.557 138 Q N -0.561 118.987 119.800 -0.420 0.000 2.340 138 Q HA 0.657 5.012 4.340 0.025 0.000 0.268 138 Q C -0.915 174.969 176.000 -0.194 0.000 1.031 138 Q CA -0.496 55.187 55.803 -0.200 0.000 0.804 138 Q CB 1.610 30.254 28.738 -0.156 0.000 1.286 138 Q HN 0.646 nan 8.270 nan 0.000 0.448 139 T N 4.710 119.310 114.554 0.077 0.000 2.770 139 T HA 0.513 4.878 4.350 0.025 0.000 0.283 139 T C -0.674 174.142 174.700 0.192 0.000 0.988 139 T CA -0.647 61.588 62.100 0.226 0.000 0.957 139 T CB 0.569 69.712 68.868 0.457 0.000 0.930 139 T HN 0.660 nan 8.240 nan 0.000 0.443 140 R N 2.702 123.302 120.500 0.166 0.000 2.854 140 R HA 0.783 5.138 4.340 0.025 0.000 0.271 140 R C -1.124 175.266 176.300 0.150 0.000 0.996 140 R CA -1.012 55.178 56.100 0.150 0.000 0.961 140 R CB 1.531 31.893 30.300 0.102 0.000 1.182 140 R HN 0.569 nan 8.270 nan 0.000 0.479 141 I N 2.474 123.135 120.570 0.152 0.000 2.460 141 I HA 0.449 4.634 4.170 0.025 0.000 0.298 141 I C -1.117 175.030 176.117 0.050 0.000 0.989 141 I CA -1.338 60.004 61.300 0.070 0.000 1.173 141 I CB 1.291 39.327 38.000 0.061 0.000 1.338 141 I HN 0.638 nan 8.210 nan 0.000 0.456 142 I N 7.160 127.653 120.570 -0.128 0.000 2.447 142 I HA 0.284 4.469 4.170 0.025 0.000 0.287 142 I C -1.289 174.659 176.117 -0.281 0.000 1.023 142 I CA -0.325 60.919 61.300 -0.093 0.000 1.083 142 I CB 1.552 39.510 38.000 -0.070 0.000 1.245 142 I HN 0.360 nan 8.210 nan 0.000 0.434 143 F N 4.557 124.491 119.950 -0.027 0.000 2.332 143 F HA 0.283 4.825 4.527 0.025 0.000 0.368 143 F C 1.300 176.982 175.800 -0.195 0.000 1.110 143 F CA -0.481 57.428 58.000 -0.151 0.000 1.087 143 F CB 0.791 39.654 39.000 -0.228 0.000 1.235 143 F HN 0.462 nan 8.300 nan 0.000 0.470 144 D N 2.336 122.653 120.400 -0.137 0.000 2.219 144 D HA 0.031 4.686 4.640 0.025 0.000 0.205 144 D C 1.025 177.147 176.300 -0.297 0.000 0.970 144 D CA 0.965 54.836 54.000 -0.215 0.000 0.851 144 D CB 0.331 40.960 40.800 -0.286 0.000 0.943 144 D HN 0.626 nan 8.370 nan 0.000 0.488 145 G N -0.476 108.077 108.800 -0.411 0.000 2.505 145 G HA2 0.440 4.415 3.960 0.025 0.000 0.292 145 G HA3 0.440 4.415 3.960 0.025 0.000 0.292 145 G C -1.490 173.053 174.900 -0.596 0.000 1.332 145 G CA -0.423 44.257 45.100 -0.700 0.000 1.286 145 G HN -0.056 nan 8.290 nan 0.000 0.606 146 V N 2.578 122.388 119.914 -0.173 0.000 2.524 146 V HA 0.496 4.631 4.120 0.025 0.000 0.297 146 V C -0.808 175.383 176.094 0.161 0.000 1.035 146 V CA -1.144 61.101 62.300 -0.092 0.000 0.867 146 V CB 1.785 33.306 31.823 -0.502 0.000 1.004 146 V HN 0.713 nan 8.190 nan 0.000 0.426 147 N N 2.577 121.379 118.700 0.170 0.000 2.417 147 N HA 0.333 5.088 4.740 0.025 0.000 0.274 147 N C 0.728 176.179 175.510 -0.098 0.000 0.987 147 N CA 0.179 53.232 53.050 0.005 0.000 0.912 147 N CB 2.276 40.606 38.487 -0.261 0.000 1.177 147 N HN 0.627 nan 8.380 nan 0.000 0.490 148 S N 2.174 117.851 115.700 -0.037 0.000 2.497 148 S HA 0.549 5.034 4.470 0.025 0.000 0.218 148 S C 0.402 175.075 174.600 0.121 0.000 1.023 148 S CA 0.272 58.504 58.200 0.053 0.000 0.913 148 S CB 0.217 63.466 63.200 0.082 0.000 0.800 148 S HN 0.699 nan 8.310 nan 0.000 0.505 149 A N 0.579 123.483 122.820 0.139 0.000 2.610 149 A HA 0.770 5.105 4.320 0.025 0.000 0.291 149 A C -1.250 176.457 177.584 0.205 0.000 1.086 149 A CA -0.970 51.131 52.037 0.106 0.000 0.677 149 A CB 0.736 19.811 19.000 0.125 0.000 1.278 149 A HN 1.087 nan 8.150 nan 0.000 0.414 150 F N -1.084 118.703 119.950 -0.272 0.000 2.773 150 F HA 0.766 5.308 4.527 0.025 0.000 0.314 150 F C -1.154 174.513 175.800 -0.222 0.000 1.160 150 F CA -0.876 57.038 58.000 -0.143 0.000 0.920 150 F CB 1.123 40.025 39.000 -0.164 0.000 1.323 150 F HN 0.628 nan 8.300 nan 0.000 0.457 151 H N 1.436 120.634 119.070 0.213 0.000 2.569 151 H HA 0.756 5.328 4.556 0.025 0.000 0.357 151 H C -1.539 173.774 175.328 -0.024 0.000 1.153 151 H CA -0.726 55.348 56.048 0.044 0.000 1.193 151 H CB 2.463 32.259 29.762 0.056 0.000 1.602 151 H HN 0.789 nan 8.280 nan 0.000 0.523 152 L N 2.656 123.692 121.223 -0.312 0.000 2.401 152 L HA 0.477 4.832 4.340 0.025 0.000 0.266 152 L C -1.768 174.805 176.870 -0.495 0.000 0.991 152 L CA -0.491 54.212 54.840 -0.228 0.000 0.818 152 L CB 1.801 43.586 42.059 -0.458 0.000 1.321 152 L HN 0.529 nan 8.230 nan 0.000 0.413 153 W N 3.963 125.252 121.300 -0.017 0.000 3.032 153 W HA 0.560 5.235 4.660 0.026 0.000 0.335 153 W C -1.379 175.098 176.519 -0.070 0.000 1.154 153 W CA -0.836 56.481 57.345 -0.047 0.000 1.204 153 W CB 2.044 31.514 29.460 0.017 0.000 1.416 153 W HN 0.648 nan 8.180 nan 0.000 0.521 154 C N 4.517 123.919 119.300 0.171 0.000 2.364 154 C HA 0.333 4.808 4.460 0.025 0.000 0.324 154 C C 0.370 175.493 174.990 0.223 0.000 1.234 154 C CA -0.254 58.857 59.018 0.154 0.000 1.417 154 C CB -0.525 27.247 27.740 0.053 0.000 2.101 154 C HN 0.807 nan 8.230 nan 0.000 0.466 155 N N 3.595 122.378 118.700 0.139 0.000 2.725 155 N HA -0.187 4.569 4.740 0.025 0.000 0.249 155 N C 0.951 176.523 175.510 0.103 0.000 1.103 155 N CA 2.120 55.225 53.050 0.091 0.000 0.707 155 N CB -1.359 37.191 38.487 0.105 0.000 1.043 155 N HN 1.804 nan 8.380 nan 0.000 0.553 156 G N -1.001 107.859 108.800 0.100 0.000 2.268 156 G HA2 -0.359 3.616 3.960 0.025 0.000 0.240 156 G HA3 -0.359 3.616 3.960 0.025 0.000 0.240 156 G C 0.014 175.094 174.900 0.300 0.000 1.010 156 G CA 0.357 45.511 45.100 0.090 0.000 0.618 156 G HN 0.578 nan 8.290 nan 0.000 0.516 157 R N -0.310 120.423 120.500 0.388 0.000 2.298 157 R HA 0.398 4.753 4.340 0.025 0.000 0.310 157 R C -0.058 176.561 176.300 0.531 0.000 1.068 157 R CA -0.625 55.784 56.100 0.514 0.000 0.957 157 R CB 0.853 31.497 30.300 0.574 0.000 1.003 157 R HN 0.240 nan 8.270 nan 0.000 0.454 158 W N 4.416 125.901 121.300 0.309 0.000 2.381 158 W HA 0.080 4.755 4.660 0.025 0.000 0.321 158 W C 0.220 176.617 176.519 -0.203 0.000 1.407 158 W CA -0.140 57.075 57.345 -0.217 0.000 1.274 158 W CB 0.657 29.991 29.460 -0.211 0.000 1.310 158 W HN 0.408 nan 8.180 nan 0.000 0.551 159 V N 5.859 124.985 119.914 -1.313 0.000 2.672 159 V HA 0.500 4.636 4.120 0.025 0.000 0.242 159 V C 1.172 176.252 176.094 -1.689 0.000 1.059 159 V CA 1.105 62.610 62.300 -1.324 0.000 1.081 159 V CB -0.730 30.400 31.823 -1.154 0.000 0.752 159 V HN 0.839 nan 8.190 nan 0.000 0.472 160 G N -1.711 105.862 108.800 -2.046 0.000 2.325 160 G HA2 0.419 4.394 3.960 0.025 0.000 0.295 160 G HA3 0.419 4.394 3.960 0.025 0.000 0.295 160 G C -2.414 172.140 174.900 -0.576 0.000 1.274 160 G CA -0.314 44.001 45.100 -1.308 0.000 0.857 160 G HN -0.010 nan 8.290 nan 0.000 0.499 161 Y N -0.293 119.799 120.300 -0.347 0.000 2.553 161 Y HA 0.725 5.290 4.550 0.025 0.000 0.347 161 Y C 0.028 175.727 175.900 -0.334 0.000 1.019 161 Y CA -0.039 57.794 58.100 -0.444 0.000 1.032 161 Y CB 2.335 40.690 38.460 -0.175 0.000 1.284 161 Y HN 1.251 nan 8.280 nan 0.000 0.466 162 G N 3.762 111.672 108.800 -1.483 0.000 2.733 162 G HA2 0.582 4.557 3.960 0.025 0.000 0.297 162 G HA3 0.582 4.557 3.960 0.025 0.000 0.297 162 G C -2.122 172.308 174.900 -0.783 0.000 1.422 162 G CA -0.856 43.714 45.100 -0.884 0.000 0.942 162 G HN 0.610 nan 8.290 nan 0.000 0.510 163 Q N -0.122 119.483 119.800 -0.325 0.000 2.587 163 Q HA 0.610 4.965 4.340 0.025 0.000 0.293 163 Q C -1.413 174.592 176.000 0.008 0.000 1.083 163 Q CA -0.849 54.892 55.803 -0.104 0.000 0.792 163 Q CB 2.839 31.564 28.738 -0.022 0.000 1.484 163 Q HN 0.691 nan 8.270 nan 0.000 0.446 164 D N -0.179 120.263 120.400 0.070 0.000 4.030 164 D HA -0.095 4.560 4.640 0.025 0.000 0.222 164 D C -0.599 175.770 176.300 0.116 0.000 1.288 164 D CA 0.524 54.581 54.000 0.096 0.000 0.865 164 D CB -0.603 40.236 40.800 0.066 0.000 0.486 164 D HN 0.546 nan 8.370 nan 0.000 0.213 165 S N 3.725 119.511 115.700 0.143 0.000 2.603 165 S HA -0.027 4.458 4.470 0.025 0.000 0.229 165 S C 1.493 176.235 174.600 0.237 0.000 0.972 165 S CA 0.382 58.705 58.200 0.206 0.000 0.935 165 S CB 0.275 63.588 63.200 0.188 0.000 0.769 165 S HN 0.509 nan 8.310 nan 0.000 0.536 166 R N 0.237 120.828 120.500 0.151 0.000 2.543 166 R HA 0.438 4.793 4.340 0.025 0.000 0.323 166 R C -0.373 175.976 176.300 0.082 0.000 1.002 166 R CA 0.039 56.217 56.100 0.131 0.000 1.106 166 R CB 0.193 30.582 30.300 0.150 0.000 1.280 166 R HN 0.339 nan 8.270 nan 0.000 0.549 167 L N 1.928 123.175 121.223 0.041 0.000 2.354 167 L HA 0.511 4.866 4.340 0.025 0.000 0.264 167 L C -2.364 174.481 176.870 -0.043 0.000 1.008 167 L CA -2.292 52.544 54.840 -0.007 0.000 0.819 167 L CB 2.824 44.874 42.059 -0.016 0.000 1.339 167 L HN -0.227 nan 8.230 nan 0.000 0.420 168 P HA 0.106 nan 4.420 nan 0.000 0.271 168 P C -1.039 176.226 177.300 -0.058 0.000 1.216 168 P CA -0.238 62.815 63.100 -0.078 0.000 0.776 168 P CB 1.023 32.641 31.700 -0.137 0.000 0.881 169 S N 2.037 117.766 115.700 0.048 0.000 2.456 169 S HA 0.305 4.790 4.470 0.025 0.000 0.316 169 S C -0.298 174.276 174.600 -0.043 0.000 1.089 169 S CA -0.620 57.576 58.200 -0.007 0.000 1.101 169 S CB 0.847 64.175 63.200 0.214 0.000 0.995 169 S HN 0.368 nan 8.310 nan 0.000 0.468 170 E N 2.009 121.966 120.200 -0.406 0.000 2.199 170 E HA 0.581 4.946 4.350 0.025 0.000 0.269 170 E C -1.381 174.817 176.600 -0.671 0.000 0.899 170 E CA -0.557 55.671 56.400 -0.287 0.000 0.772 170 E CB 1.525 31.157 29.700 -0.113 0.000 1.155 170 E HN 0.421 nan 8.360 nan 0.000 0.408 171 F N 0.556 120.559 119.950 0.087 0.000 2.578 171 F HA 0.211 4.754 4.527 0.026 0.000 0.311 171 F C -0.016 175.804 175.800 0.032 0.000 1.094 171 F CA -1.167 56.847 58.000 0.023 0.000 0.923 171 F CB 1.494 40.471 39.000 -0.038 0.000 1.230 171 F HN 0.271 nan 8.300 nan 0.000 0.450 172 D N 2.462 122.983 120.400 0.202 0.000 2.317 172 D HA 0.255 4.910 4.640 0.025 0.000 0.252 172 D C 0.178 176.605 176.300 0.211 0.000 1.174 172 D CA 0.267 54.370 54.000 0.173 0.000 0.866 172 D CB 1.114 42.002 40.800 0.146 0.000 1.127 172 D HN 0.600 nan 8.370 nan 0.000 0.467 173 L N 2.748 124.106 121.223 0.226 0.000 2.693 173 L HA 0.028 4.383 4.340 0.025 0.000 0.235 173 L C 2.114 179.215 176.870 0.385 0.000 1.127 173 L CA -0.151 54.864 54.840 0.292 0.000 0.914 173 L CB 0.103 42.297 42.059 0.226 0.000 1.193 173 L HN 0.319 nan 8.230 nan 0.000 0.502 174 S N 1.350 117.219 115.700 0.283 0.000 2.393 174 S HA -0.331 4.154 4.470 0.025 0.000 0.234 174 S C 1.974 176.693 174.600 0.197 0.000 1.064 174 S CA 2.071 60.403 58.200 0.221 0.000 1.088 174 S CB -0.200 63.089 63.200 0.147 0.000 0.939 174 S HN 0.574 nan 8.310 nan 0.000 0.448 175 A N -0.882 122.050 122.820 0.185 0.000 2.238 175 A HA 0.304 4.639 4.320 0.025 0.000 0.208 175 A C 1.424 178.915 177.584 -0.155 0.000 1.177 175 A CA 0.442 52.466 52.037 -0.020 0.000 0.804 175 A CB -0.394 18.503 19.000 -0.171 0.000 0.823 175 A HN 0.490 nan 8.150 nan 0.000 0.482 176 F N -0.647 119.348 119.950 0.075 0.000 2.653 176 F HA 0.339 4.881 4.527 0.025 0.000 0.288 176 F C 0.787 176.628 175.800 0.069 0.000 1.121 176 F CA -0.148 57.895 58.000 0.072 0.000 1.384 176 F CB 0.006 39.055 39.000 0.081 0.000 1.115 176 F HN -0.024 nan 8.300 nan 0.000 0.599 177 L N 0.818 122.206 121.223 0.274 0.000 2.468 177 L HA 0.456 4.812 4.340 0.025 0.000 0.254 177 L C 0.133 177.057 176.870 0.090 0.000 1.171 177 L CA -0.651 54.289 54.840 0.167 0.000 0.809 177 L CB 0.657 42.826 42.059 0.183 0.000 1.155 177 L HN 0.025 nan 8.230 nan 0.000 0.473 178 R N 0.455 120.973 120.500 0.031 0.000 2.740 178 R HA 0.778 5.133 4.340 0.025 0.000 0.273 178 R C -1.181 175.101 176.300 -0.030 0.000 0.998 178 R CA -0.876 55.225 56.100 0.003 0.000 0.900 178 R CB 1.499 31.787 30.300 -0.019 0.000 1.223 178 R HN 0.579 nan 8.270 nan 0.000 0.466 179 A N 1.692 124.502 122.820 -0.017 0.000 2.540 179 A HA 0.478 4.813 4.320 0.025 0.000 0.239 179 A C 1.105 178.645 177.584 -0.073 0.000 1.061 179 A CA 1.175 53.192 52.037 -0.034 0.000 0.758 179 A CB -0.806 18.187 19.000 -0.012 0.000 0.991 179 A HN 1.479 nan 8.150 nan 0.000 0.502 180 G N 1.734 110.472 108.800 -0.105 0.000 2.481 180 G HA2 -0.053 3.922 3.960 0.025 0.000 0.230 180 G HA3 -0.053 3.922 3.960 0.025 0.000 0.230 180 G C -0.453 174.320 174.900 -0.212 0.000 1.210 180 G CA -0.021 45.001 45.100 -0.130 0.000 0.936 180 G HN 0.959 nan 8.290 nan 0.000 0.583 181 E N 1.958 122.036 120.200 -0.203 0.000 2.373 181 E HA 0.534 4.899 4.350 0.025 0.000 0.267 181 E C 0.596 176.978 176.600 -0.363 0.000 1.032 181 E CA -0.075 56.152 56.400 -0.288 0.000 0.889 181 E CB 0.478 30.057 29.700 -0.202 0.000 0.984 181 E HN 0.540 nan 8.360 nan 0.000 0.425 182 N N 1.559 119.895 118.700 -0.608 0.000 2.647 182 N HA 0.411 5.166 4.740 0.025 0.000 0.266 182 N C -0.882 174.379 175.510 -0.415 0.000 1.373 182 N CA -0.706 52.020 53.050 -0.540 0.000 0.807 182 N CB 2.623 40.714 38.487 -0.662 0.000 1.513 182 N HN 0.147 nan 8.380 nan 0.000 0.505 183 R N 1.541 121.966 120.500 -0.126 0.000 2.514 183 R HA 0.405 4.761 4.340 0.025 0.000 0.296 183 R C -1.400 174.965 176.300 0.109 0.000 1.012 183 R CA -0.451 55.649 56.100 -0.000 0.000 0.897 183 R CB 1.016 31.275 30.300 -0.069 0.000 1.184 183 R HN 0.518 nan 8.270 nan 0.000 0.440 184 L N 3.048 124.381 121.223 0.183 0.000 2.312 184 L HA 0.634 4.989 4.340 0.025 0.000 0.281 184 L C 0.056 176.981 176.870 0.092 0.000 1.070 184 L CA -0.643 54.295 54.840 0.163 0.000 0.805 184 L CB 1.740 43.873 42.059 0.123 0.000 1.174 184 L HN 0.653 nan 8.230 nan 0.000 0.434 185 A N 3.550 126.450 122.820 0.133 0.000 2.335 185 A HA 0.749 5.084 4.320 0.025 0.000 0.304 185 A C -0.939 176.924 177.584 0.466 0.000 1.118 185 A CA -0.467 51.557 52.037 -0.020 0.000 0.757 185 A CB 1.501 20.017 19.000 -0.806 0.000 1.188 185 A HN 0.390 nan 8.150 nan 0.000 0.460 186 V N 3.443 123.786 119.914 0.715 0.000 2.376 186 V HA 0.433 4.568 4.120 0.025 0.000 0.287 186 V C -0.064 176.589 176.094 0.932 0.000 1.015 186 V CA -0.275 62.480 62.300 0.758 0.000 0.834 186 V CB 1.362 33.459 31.823 0.455 0.000 1.001 186 V HN 0.965 nan 8.190 nan 0.000 0.428 187 M N 6.067 126.255 119.600 0.980 0.000 2.069 187 M HA 0.532 5.027 4.480 0.025 0.000 0.349 187 M C -1.348 175.219 176.300 0.446 0.000 1.194 187 M CA -0.306 55.380 55.300 0.642 0.000 1.081 187 M CB 1.026 34.048 32.600 0.704 0.000 1.500 187 M HN 0.469 nan 8.290 nan 0.000 0.438 188 V N 6.856 126.985 119.914 0.358 0.000 2.407 188 V HA 0.372 4.507 4.120 0.025 0.000 0.278 188 V C -0.133 176.103 176.094 0.237 0.000 1.037 188 V CA -0.627 61.870 62.300 0.330 0.000 0.900 188 V CB 1.382 33.468 31.823 0.438 0.000 0.983 188 V HN 0.793 nan 8.190 nan 0.000 0.459 189 L N 4.883 126.181 121.223 0.125 0.000 2.307 189 L HA 0.538 4.893 4.340 0.025 0.000 0.282 189 L C 1.506 178.378 176.870 0.005 0.000 1.051 189 L CA -0.314 54.529 54.840 0.004 0.000 0.804 189 L CB 1.065 43.028 42.059 -0.160 0.000 1.197 189 L HN 0.596 nan 8.230 nan 0.000 0.431 190 R N 2.363 122.805 120.500 -0.097 0.000 2.075 190 R HA -0.027 4.329 4.340 0.025 0.000 0.232 190 R C -0.404 175.514 176.300 -0.636 0.000 1.126 190 R CA 1.088 56.880 56.100 -0.513 0.000 0.963 190 R CB 0.215 30.052 30.300 -0.771 0.000 0.858 190 R HN 0.590 nan 8.270 nan 0.000 0.435 191 W N 0.246 121.624 121.300 0.129 0.000 2.627 191 W HA 0.432 5.107 4.660 0.025 0.000 0.339 191 W C -0.286 176.362 176.519 0.215 0.000 1.058 191 W CA -0.839 56.590 57.345 0.139 0.000 1.223 191 W CB 1.762 31.305 29.460 0.138 0.000 1.389 191 W HN 0.015 nan 8.180 nan 0.000 0.541 192 S N -1.012 114.989 115.700 0.503 0.000 2.752 192 S HA 0.242 4.727 4.470 0.025 0.000 0.284 192 S C 0.061 174.931 174.600 0.450 0.000 1.189 192 S CA -0.392 58.112 58.200 0.507 0.000 0.835 192 S CB 1.182 64.655 63.200 0.454 0.000 1.192 192 S HN 0.597 nan 8.310 nan 0.000 0.506 193 D N 0.189 120.847 120.400 0.429 0.000 2.269 193 D HA 0.119 4.775 4.640 0.025 0.000 0.208 193 D C 1.747 178.376 176.300 0.547 0.000 0.963 193 D CA 0.948 55.252 54.000 0.507 0.000 0.864 193 D CB -0.705 40.256 40.800 0.269 0.000 0.936 193 D HN 0.689 nan 8.370 nan 0.000 0.505 194 G N 0.084 109.117 108.800 0.388 0.000 2.509 194 G HA2 -0.219 3.756 3.960 0.025 0.000 0.218 194 G HA3 -0.219 3.756 3.960 0.025 0.000 0.218 194 G C 1.603 176.698 174.900 0.324 0.000 1.124 194 G CA 0.627 45.929 45.100 0.337 0.000 0.776 194 G HN 0.305 nan 8.290 nan 0.000 0.547 195 S N -0.131 115.753 115.700 0.308 0.000 2.447 195 S HA -0.053 4.432 4.470 0.025 0.000 0.233 195 S C 1.800 176.513 174.600 0.188 0.000 1.006 195 S CA 0.382 58.733 58.200 0.250 0.000 0.957 195 S CB -0.365 62.999 63.200 0.274 0.000 0.773 195 S HN 0.535 nan 8.310 nan 0.000 0.507 196 Y N 1.270 121.698 120.300 0.214 0.000 2.483 196 Y HA 0.074 4.639 4.550 0.025 0.000 0.291 196 Y C 1.614 177.624 175.900 0.183 0.000 1.143 196 Y CA 0.687 58.828 58.100 0.068 0.000 1.289 196 Y CB -0.219 38.156 38.460 -0.143 0.000 0.983 196 Y HN 0.212 nan 8.280 nan 0.000 0.556 197 L N -0.331 121.086 121.223 0.324 0.000 2.667 197 L HA 0.119 4.474 4.340 0.025 0.000 0.232 197 L C 0.098 177.112 176.870 0.241 0.000 1.138 197 L CA 0.378 55.369 54.840 0.253 0.000 0.921 197 L CB 0.100 42.312 42.059 0.256 0.000 1.180 197 L HN 0.171 nan 8.230 nan 0.000 0.487 198 E N -0.390 119.968 120.200 0.264 0.000 3.388 198 E HA 0.037 4.403 4.350 0.025 0.000 0.214 198 E C -0.382 176.338 176.600 0.200 0.000 1.040 198 E CA -0.101 56.439 56.400 0.234 0.000 1.327 198 E CB 0.422 30.252 29.700 0.217 0.000 1.243 198 E HN 0.028 nan 8.360 nan 0.000 0.444 199 D N 1.219 121.694 120.400 0.126 0.000 2.400 199 D HA -0.004 4.651 4.640 0.025 0.000 0.243 199 D C -0.177 176.117 176.300 -0.011 0.000 1.184 199 D CA 0.091 54.044 54.000 -0.079 0.000 0.853 199 D CB 0.095 40.576 40.800 -0.531 0.000 0.944 199 D HN 0.092 nan 8.370 nan 0.000 0.501 200 Q N 0.514 120.398 119.800 0.139 0.000 2.361 200 Q HA 0.065 4.420 4.340 0.025 0.000 0.276 200 Q C -0.067 176.061 176.000 0.215 0.000 1.022 200 Q CA 0.131 56.080 55.803 0.244 0.000 0.898 200 Q CB 0.631 29.654 28.738 0.475 0.000 1.246 200 Q HN 0.027 nan 8.270 nan 0.000 0.410 201 D N 3.716 124.266 120.400 0.251 0.000 2.482 201 D HA 0.120 4.775 4.640 0.025 0.000 0.244 201 D C -0.747 175.743 176.300 0.317 0.000 1.242 201 D CA 0.235 54.389 54.000 0.256 0.000 1.097 201 D CB -0.475 40.477 40.800 0.254 0.000 1.109 201 D HN 0.492 nan 8.370 nan 0.000 0.510 202 M N -0.039 119.713 119.600 0.255 0.000 3.012 202 M HA 0.400 4.895 4.480 0.025 0.000 0.272 202 M C -1.357 175.069 176.300 0.211 0.000 1.187 202 M CA -1.174 54.193 55.300 0.112 0.000 0.813 202 M CB 0.995 33.561 32.600 -0.057 0.000 1.626 202 M HN -0.132 nan 8.290 nan 0.000 0.507 203 W N 2.011 123.376 121.300 0.107 0.000 2.223 203 W HA 0.342 5.017 4.660 0.025 0.000 0.334 203 W C 0.251 176.793 176.519 0.038 0.000 1.334 203 W CA -0.017 57.397 57.345 0.114 0.000 1.246 203 W CB 0.301 29.754 29.460 -0.011 0.000 1.184 203 W HN 0.300 nan 8.180 nan 0.000 0.563 204 R N 4.816 125.515 120.500 0.332 0.000 2.220 204 R HA 0.380 4.735 4.340 0.025 0.000 0.340 204 R C -0.042 176.293 176.300 0.059 0.000 1.076 204 R CA -0.066 56.157 56.100 0.205 0.000 0.920 204 R CB -0.138 30.354 30.300 0.321 0.000 1.062 204 R HN 0.582 nan 8.270 nan 0.000 0.469 205 M N 0.161 119.673 119.600 -0.147 0.000 2.708 205 M HA 0.524 5.019 4.480 0.025 0.000 0.280 205 M C -0.129 175.833 176.300 -0.563 0.000 1.095 205 M CA -0.815 54.271 55.300 -0.357 0.000 0.822 205 M CB 2.078 34.449 32.600 -0.382 0.000 1.698 205 M HN 0.633 nan 8.290 nan 0.000 0.475 206 S N -1.410 113.824 115.700 -0.778 0.000 2.643 206 S HA 0.872 5.357 4.470 0.025 0.000 0.266 206 S C -0.618 173.464 174.600 -0.863 0.000 1.130 206 S CA -0.295 57.390 58.200 -0.858 0.000 0.817 206 S CB 1.407 63.945 63.200 -1.103 0.000 1.107 206 S HN 1.560 nan 8.310 nan 0.000 0.471 207 G N -0.162 108.354 108.800 -0.472 0.000 2.384 207 G HA2 0.164 4.139 3.960 0.025 0.000 0.668 207 G HA3 0.164 4.139 3.960 0.025 0.000 0.668 207 G C -1.296 173.582 174.900 -0.037 0.000 1.280 207 G CA -0.607 44.490 45.100 -0.004 0.000 0.992 207 G HN 1.201 nan 8.290 nan 0.000 0.512 208 I N 2.133 122.536 120.570 -0.277 0.000 2.224 208 I HA 0.234 4.419 4.170 0.025 0.000 0.293 208 I C 1.373 177.355 176.117 -0.225 0.000 1.155 208 I CA -0.162 60.877 61.300 -0.436 0.000 1.297 208 I CB -0.311 37.166 38.000 -0.872 0.000 1.487 208 I HN 0.506 nan 8.210 nan 0.000 0.564 209 F N 3.985 123.777 119.950 -0.264 0.000 2.797 209 F HA 0.384 4.926 4.527 0.025 0.000 0.302 209 F C 0.811 176.526 175.800 -0.141 0.000 1.130 209 F CA -0.367 57.513 58.000 -0.201 0.000 1.387 209 F CB 0.028 38.910 39.000 -0.196 0.000 1.107 209 F HN 0.151 nan 8.300 nan 0.000 0.577 210 R N 0.700 120.777 120.500 -0.706 0.000 2.912 210 R HA 0.196 4.551 4.340 0.025 0.000 0.262 210 R C -0.620 175.486 176.300 -0.323 0.000 1.057 210 R CA -1.101 54.696 56.100 -0.505 0.000 0.981 210 R CB 1.012 30.889 30.300 -0.706 0.000 1.201 210 R HN 0.006 nan 8.270 nan 0.000 0.484 211 D N 0.876 121.149 120.400 -0.211 0.000 2.515 211 D HA 0.011 4.666 4.640 0.025 0.000 0.230 211 D C -0.456 175.704 176.300 -0.232 0.000 1.181 211 D CA 0.694 54.589 54.000 -0.176 0.000 0.875 211 D CB 0.573 41.305 40.800 -0.113 0.000 1.213 211 D HN 0.012 nan 8.370 nan 0.000 0.478 212 V N 1.328 121.105 119.914 -0.227 0.000 2.407 212 V HA 0.462 4.597 4.120 0.025 0.000 0.291 212 V C -0.001 175.970 176.094 -0.205 0.000 1.018 212 V CA -0.609 61.500 62.300 -0.318 0.000 0.842 212 V CB 1.454 33.088 31.823 -0.314 0.000 0.996 212 V HN 0.677 nan 8.190 nan 0.000 0.426 213 S N 4.909 120.471 115.700 -0.230 0.000 2.661 213 S HA 0.889 5.375 4.470 0.025 0.000 0.285 213 S C -1.317 173.226 174.600 -0.096 0.000 1.138 213 S CA -0.908 57.223 58.200 -0.115 0.000 0.855 213 S CB 2.356 65.523 63.200 -0.055 0.000 1.136 213 S HN 0.356 nan 8.310 nan 0.000 0.484 214 L N 1.584 122.817 121.223 0.017 0.000 2.349 214 L HA 0.703 5.058 4.340 0.025 0.000 0.278 214 L C -1.325 175.719 176.870 0.290 0.000 0.996 214 L CA -0.746 54.184 54.840 0.150 0.000 0.825 214 L CB 1.417 43.577 42.059 0.168 0.000 1.243 214 L HN 0.806 nan 8.230 nan 0.000 0.412 215 L N 4.321 125.689 121.223 0.241 0.000 2.362 215 L HA 0.473 4.829 4.340 0.025 0.000 0.275 215 L C -0.902 175.995 176.870 0.044 0.000 0.998 215 L CA -0.188 54.734 54.840 0.138 0.000 0.820 215 L CB 1.296 43.401 42.059 0.076 0.000 1.270 215 L HN 0.574 nan 8.230 nan 0.000 0.415 216 H N 5.588 124.458 119.070 -0.334 0.000 2.556 216 H HA 0.432 5.004 4.556 0.025 0.000 0.310 216 H C -1.172 173.958 175.328 -0.330 0.000 1.057 216 H CA -0.529 55.198 56.048 -0.535 0.000 1.264 216 H CB 0.930 29.910 29.762 -1.303 0.000 1.404 216 H HN 0.516 nan 8.280 nan 0.000 0.462 217 K N 5.682 125.724 120.400 -0.596 0.000 2.328 217 K HA 0.383 4.718 4.320 0.025 0.000 0.246 217 K C -2.721 173.564 176.600 -0.526 0.000 0.955 217 K CA -2.007 54.033 56.287 -0.413 0.000 0.817 217 K CB 2.242 34.587 32.500 -0.258 0.000 1.208 217 K HN 0.487 nan 8.250 nan 0.000 0.432 218 P HA 0.155 nan 4.420 nan 0.000 0.276 218 P C 0.465 177.669 177.300 -0.159 0.000 1.244 218 P CA -0.210 62.779 63.100 -0.186 0.000 0.801 218 P CB 0.515 32.167 31.700 -0.079 0.000 1.006 219 T N -0.533 113.957 114.554 -0.107 0.000 2.720 219 T HA -0.063 4.302 4.350 0.025 0.000 0.268 219 T C 0.630 175.283 174.700 -0.079 0.000 1.037 219 T CA 1.662 63.713 62.100 -0.080 0.000 1.144 219 T CB -0.658 68.183 68.868 -0.045 0.000 0.864 219 T HN 0.447 nan 8.240 nan 0.000 0.444 220 T N 3.852 118.365 114.554 -0.068 0.000 2.727 220 T HA 0.424 4.789 4.350 0.025 0.000 0.298 220 T C -0.175 174.473 174.700 -0.087 0.000 0.942 220 T CA -0.512 61.540 62.100 -0.080 0.000 0.997 220 T CB 0.459 69.293 68.868 -0.056 0.000 0.917 220 T HN 0.470 nan 8.240 nan 0.000 0.487 221 Q N 2.357 122.092 119.800 -0.109 0.000 2.553 221 Q HA 0.606 4.961 4.340 0.025 0.000 0.293 221 Q C -1.092 174.841 176.000 -0.113 0.000 1.038 221 Q CA -1.215 54.517 55.803 -0.119 0.000 0.777 221 Q CB 1.421 30.066 28.738 -0.155 0.000 1.487 221 Q HN 0.446 nan 8.270 nan 0.000 0.426 222 I N 2.414 122.895 120.570 -0.148 0.000 2.436 222 I HA 0.015 4.200 4.170 0.025 0.000 0.289 222 I C 0.625 176.635 176.117 -0.178 0.000 1.083 222 I CA 0.060 61.282 61.300 -0.129 0.000 1.372 222 I CB 0.876 38.752 38.000 -0.207 0.000 1.408 222 I HN 0.846 nan 8.210 nan 0.000 0.516 223 S N 2.545 118.243 115.700 -0.004 0.000 2.511 223 S HA 0.210 4.695 4.470 0.025 0.000 0.214 223 S C 0.108 174.900 174.600 0.320 0.000 0.997 223 S CA -0.315 57.944 58.200 0.098 0.000 0.908 223 S CB 0.261 63.490 63.200 0.049 0.000 0.803 223 S HN 0.713 nan 8.310 nan 0.000 0.504 224 D N -0.141 120.455 120.400 0.327 0.000 2.720 224 D HA 0.503 5.158 4.640 0.025 0.000 0.239 224 D C -1.942 174.562 176.300 0.340 0.000 1.218 224 D CA -0.703 53.523 54.000 0.376 0.000 0.748 224 D CB 1.536 42.468 40.800 0.221 0.000 1.387 224 D HN 0.187 nan 8.370 nan 0.000 0.438 225 F N -0.085 119.994 119.950 0.215 0.000 2.604 225 F HA 0.564 5.106 4.527 0.026 0.000 0.316 225 F C -1.605 174.379 175.800 0.307 0.000 1.136 225 F CA -0.728 57.336 58.000 0.107 0.000 0.989 225 F CB 1.112 40.172 39.000 0.100 0.000 1.258 225 F HN 0.253 nan 8.300 nan 0.000 0.451 226 H N 2.971 122.063 119.070 0.037 0.000 2.481 226 H HA 0.707 5.278 4.556 0.025 0.000 0.333 226 H C -1.116 174.227 175.328 0.025 0.000 1.066 226 H CA -1.510 54.510 56.048 -0.047 0.000 1.209 226 H CB 2.478 32.208 29.762 -0.054 0.000 1.445 226 H HN 0.585 nan 8.280 nan 0.000 0.488 227 V N 2.727 122.711 119.914 0.117 0.000 2.417 227 V HA 0.578 4.713 4.120 0.025 0.000 0.291 227 V C -0.060 176.014 176.094 -0.032 0.000 1.024 227 V CA -0.470 61.864 62.300 0.058 0.000 0.861 227 V CB 1.113 32.965 31.823 0.048 0.000 0.985 227 V HN 0.934 nan 8.190 nan 0.000 0.436 228 A N 3.559 126.341 122.820 -0.063 0.000 2.384 228 A HA 0.966 5.302 4.320 0.025 0.000 0.312 228 A C -0.106 177.359 177.584 -0.198 0.000 1.113 228 A CA -0.487 51.489 52.037 -0.103 0.000 0.779 228 A CB 2.041 21.003 19.000 -0.063 0.000 1.307 228 A HN 0.905 nan 8.150 nan 0.000 0.436 229 T N -0.890 113.526 114.554 -0.229 0.000 2.890 229 T HA 0.643 5.008 4.350 0.025 0.000 0.295 229 T C -0.542 173.923 174.700 -0.392 0.000 0.993 229 T CA -0.689 61.172 62.100 -0.398 0.000 0.979 229 T CB 0.886 69.376 68.868 -0.630 0.000 0.967 229 T HN 1.019 nan 8.240 nan 0.000 0.441 230 R N 2.677 122.873 120.500 -0.507 0.000 2.664 230 R HA 0.817 5.173 4.340 0.025 0.000 0.286 230 R C -1.675 174.228 176.300 -0.662 0.000 0.967 230 R CA -0.779 55.088 56.100 -0.388 0.000 0.933 230 R CB 1.171 31.390 30.300 -0.135 0.000 1.146 230 R HN 0.508 nan 8.270 nan 0.000 0.468 231 F N 0.881 120.815 119.950 -0.025 0.000 2.640 231 F HA 0.384 4.925 4.527 0.023 0.000 0.324 231 F C 0.050 175.721 175.800 -0.215 0.000 1.077 231 F CA -1.111 56.821 58.000 -0.114 0.000 0.965 231 F CB 1.265 40.109 39.000 -0.259 0.000 1.351 231 F HN 0.686 nan 8.300 nan 0.000 0.487 232 N N -0.110 118.578 118.700 -0.020 0.000 2.413 232 N HA 0.083 4.838 4.740 0.025 0.000 0.266 232 N C 0.423 175.775 175.510 -0.264 0.000 1.238 232 N CA -0.188 52.803 53.050 -0.098 0.000 0.972 232 N CB 0.198 38.658 38.487 -0.045 0.000 1.210 232 N HN 0.685 nan 8.380 nan 0.000 0.547 233 D N -1.044 119.254 120.400 -0.169 0.000 2.158 233 D HA -0.257 4.398 4.640 0.025 0.000 0.197 233 D C 0.213 176.417 176.300 -0.160 0.000 0.995 233 D CA 1.716 55.621 54.000 -0.158 0.000 0.846 233 D CB -0.521 40.246 40.800 -0.054 0.000 0.941 233 D HN 0.741 nan 8.370 nan 0.000 0.456 234 D N -1.750 118.603 120.400 -0.078 0.000 2.501 234 D HA 0.050 4.706 4.640 0.025 0.000 0.226 234 D C -0.001 176.448 176.300 0.248 0.000 1.198 234 D CA -1.030 53.029 54.000 0.098 0.000 0.830 234 D CB -1.070 39.803 40.800 0.121 0.000 1.014 234 D HN 0.206 nan 8.370 nan 0.000 0.496 235 F N 0.282 120.292 119.950 0.099 0.000 3.034 235 F HA -0.301 4.240 4.527 0.023 0.000 0.286 235 F C 1.705 177.596 175.800 0.152 0.000 0.804 235 F CA 0.819 58.897 58.000 0.130 0.000 1.161 235 F CB -2.592 36.372 39.000 -0.060 0.000 1.317 235 F HN 0.214 nan 8.300 nan 0.000 0.453 236 S N -1.175 114.641 115.700 0.193 0.000 2.496 236 S HA 0.209 4.694 4.470 0.025 0.000 0.224 236 S C 0.697 175.364 174.600 0.112 0.000 0.996 236 S CA 0.118 58.402 58.200 0.140 0.000 0.927 236 S CB 0.326 63.580 63.200 0.090 0.000 0.774 236 S HN 0.479 nan 8.310 nan 0.000 0.524 237 R N 0.341 120.913 120.500 0.119 0.000 2.673 237 R HA 0.803 5.158 4.340 0.025 0.000 0.281 237 R C -1.300 175.048 176.300 0.080 0.000 0.991 237 R CA -0.384 55.755 56.100 0.066 0.000 0.896 237 R CB 2.199 32.509 30.300 0.017 0.000 1.201 237 R HN 0.241 nan 8.270 nan 0.000 0.457 238 A N 1.740 124.556 122.820 -0.007 0.000 2.469 238 A HA 0.727 5.062 4.320 0.025 0.000 0.299 238 A C -1.212 176.299 177.584 -0.121 0.000 1.098 238 A CA -0.694 51.249 52.037 -0.156 0.000 0.737 238 A CB 2.069 20.979 19.000 -0.150 0.000 1.312 238 A HN 0.361 nan 8.150 nan 0.000 0.414 239 V N 1.942 121.743 119.914 -0.189 0.000 2.444 239 V HA 0.389 4.524 4.120 0.025 0.000 0.294 239 V C -0.398 175.622 176.094 -0.124 0.000 1.022 239 V CA -0.392 61.839 62.300 -0.115 0.000 0.850 239 V CB 1.399 33.154 31.823 -0.113 0.000 0.992 239 V HN 0.799 nan 8.190 nan 0.000 0.426 240 L N 4.966 126.157 121.223 -0.053 0.000 2.276 240 L HA 0.577 4.932 4.340 0.025 0.000 0.286 240 L C 0.073 176.894 176.870 -0.082 0.000 1.061 240 L CA 0.003 54.784 54.840 -0.097 0.000 0.807 240 L CB 1.006 43.038 42.059 -0.045 0.000 1.177 240 L HN 0.807 nan 8.230 nan 0.000 0.429 241 E N 4.698 124.843 120.200 -0.092 0.000 2.165 241 E HA 0.638 5.003 4.350 0.025 0.000 0.266 241 E C -1.488 175.098 176.600 -0.023 0.000 0.889 241 E CA -0.767 55.600 56.400 -0.055 0.000 0.756 241 E CB 1.725 31.392 29.700 -0.055 0.000 1.131 241 E HN 0.700 nan 8.360 nan 0.000 0.411 242 A N 4.725 127.542 122.820 -0.006 0.000 2.310 242 A HA 0.312 4.647 4.320 0.025 0.000 0.304 242 A C -0.679 176.916 177.584 0.019 0.000 1.231 242 A CA -0.674 51.386 52.037 0.039 0.000 0.799 242 A CB 1.070 20.102 19.000 0.054 0.000 1.162 242 A HN 0.751 nan 8.150 nan 0.000 0.486 243 E N 2.441 122.653 120.200 0.020 0.000 2.200 243 E HA 0.531 4.896 4.350 0.025 0.000 0.283 243 E C -1.250 175.328 176.600 -0.036 0.000 1.015 243 E CA -0.328 56.040 56.400 -0.054 0.000 0.819 243 E CB 1.087 30.699 29.700 -0.147 0.000 1.081 243 E HN 0.391 nan 8.360 nan 0.000 0.397 244 V N 4.922 124.826 119.914 -0.017 0.000 2.540 244 V HA 0.294 4.429 4.120 0.025 0.000 0.302 244 V C -0.472 175.686 176.094 0.107 0.000 1.035 244 V CA -0.815 61.521 62.300 0.061 0.000 0.873 244 V CB 1.671 33.512 31.823 0.029 0.000 0.992 244 V HN 0.721 nan 8.190 nan 0.000 0.428 245 Q N 4.443 124.310 119.800 0.113 0.000 2.377 245 Q HA 0.854 5.209 4.340 0.025 0.000 0.271 245 Q C -0.881 175.174 176.000 0.092 0.000 1.077 245 Q CA -0.912 54.952 55.803 0.102 0.000 0.820 245 Q CB 2.840 31.577 28.738 -0.001 0.000 1.347 245 Q HN 0.822 nan 8.270 nan 0.000 0.444 246 M N -0.922 118.656 119.600 -0.036 0.000 2.690 246 M HA 0.789 5.284 4.480 0.025 0.000 0.302 246 M C -1.393 174.805 176.300 -0.170 0.000 1.234 246 M CA -0.475 54.732 55.300 -0.156 0.000 0.853 246 M CB 1.836 34.185 32.600 -0.418 0.000 1.748 246 M HN 0.554 nan 8.290 nan 0.000 0.469 247 C N 0.664 119.874 119.300 -0.151 0.000 2.802 247 C HA 1.034 5.509 4.460 0.025 0.000 0.307 247 C C 0.494 175.401 174.990 -0.139 0.000 1.222 247 C CA 0.602 59.549 59.018 -0.119 0.000 1.580 247 C CB 1.143 28.841 27.740 -0.069 0.000 2.119 247 C HN 1.427 nan 8.230 nan 0.000 0.479 248 G N 1.886 110.614 108.800 -0.120 0.000 2.362 248 G HA2 0.085 4.060 3.960 0.025 0.000 0.517 248 G HA3 0.085 4.060 3.960 0.025 0.000 0.517 248 G C -1.092 173.732 174.900 -0.126 0.000 1.256 248 G CA -0.334 44.700 45.100 -0.110 0.000 1.027 248 G HN 0.969 nan 8.290 nan 0.000 0.491 249 E N 0.033 120.167 120.200 -0.110 0.000 2.194 249 E HA 0.508 4.873 4.350 0.025 0.000 0.284 249 E C 0.491 176.990 176.600 -0.169 0.000 1.035 249 E CA -0.678 55.654 56.400 -0.114 0.000 0.836 249 E CB 0.425 30.084 29.700 -0.069 0.000 1.070 249 E HN 0.514 nan 8.360 nan 0.000 0.401 250 L N 5.351 126.462 121.223 -0.186 0.000 2.455 250 L HA 0.245 4.600 4.340 0.025 0.000 0.272 250 L C 0.367 177.107 176.870 -0.216 0.000 1.174 250 L CA 0.082 54.786 54.840 -0.227 0.000 0.869 250 L CB 0.196 42.139 42.059 -0.193 0.000 1.130 250 L HN 0.564 nan 8.230 nan 0.000 0.474 251 R N 1.936 122.251 120.500 -0.309 0.000 2.698 251 R HA 0.190 4.545 4.340 0.025 0.000 0.275 251 R C -0.204 175.842 176.300 -0.424 0.000 1.001 251 R CA -0.841 54.985 56.100 -0.456 0.000 0.896 251 R CB 1.451 31.184 30.300 -0.944 0.000 1.218 251 R HN 0.481 nan 8.270 nan 0.000 0.462 252 D N 0.837 121.078 120.400 -0.266 0.000 2.149 252 D HA -0.173 4.482 4.640 0.025 0.000 0.198 252 D C 1.557 177.815 176.300 -0.069 0.000 0.990 252 D CA 1.740 55.681 54.000 -0.098 0.000 0.839 252 D CB -0.034 40.771 40.800 0.007 0.000 0.948 252 D HN 0.615 nan 8.370 nan 0.000 0.460 253 Y N -0.279 120.034 120.300 0.021 0.000 2.583 253 Y HA 0.244 4.809 4.550 0.025 0.000 0.293 253 Y C 0.519 176.421 175.900 0.003 0.000 1.157 253 Y CA -0.341 57.767 58.100 0.013 0.000 1.315 253 Y CB -0.882 37.587 38.460 0.014 0.000 1.021 253 Y HN -0.171 nan 8.280 nan 0.000 0.536 254 L N 2.710 123.783 121.223 -0.249 0.000 2.467 254 L HA 0.263 4.618 4.340 0.025 0.000 0.270 254 L C 0.200 177.026 176.870 -0.072 0.000 1.205 254 L CA 0.034 54.832 54.840 -0.070 0.000 0.828 254 L CB 0.410 42.479 42.059 0.016 0.000 1.101 254 L HN 0.215 nan 8.230 nan 0.000 0.479 255 R N 1.707 122.058 120.500 -0.248 0.000 2.707 255 R HA 0.652 5.007 4.340 0.025 0.000 0.272 255 R C -1.591 174.342 176.300 -0.612 0.000 1.011 255 R CA -0.758 55.050 56.100 -0.486 0.000 0.893 255 R CB 2.099 32.001 30.300 -0.663 0.000 1.233 255 R HN 0.276 nan 8.270 nan 0.000 0.464 256 V N 0.967 120.587 119.914 -0.489 0.000 2.656 256 V HA 0.555 4.690 4.120 0.025 0.000 0.307 256 V C -0.403 175.635 176.094 -0.093 0.000 1.051 256 V CA -0.542 61.578 62.300 -0.300 0.000 0.893 256 V CB 2.382 33.963 31.823 -0.403 0.000 0.999 256 V HN 0.753 nan 8.190 nan 0.000 0.426 257 T N 3.712 118.310 114.554 0.074 0.000 2.841 257 T HA 0.615 4.980 4.350 0.025 0.000 0.285 257 T C -0.755 173.958 174.700 0.020 0.000 0.991 257 T CA -0.389 61.765 62.100 0.090 0.000 0.966 257 T CB 1.698 70.667 68.868 0.167 0.000 0.962 257 T HN 0.345 nan 8.240 nan 0.000 0.438 258 V N 3.757 123.665 119.914 -0.010 0.000 2.448 258 V HA 0.729 4.864 4.120 0.025 0.000 0.295 258 V C -0.078 176.012 176.094 -0.006 0.000 1.025 258 V CA -0.758 61.534 62.300 -0.014 0.000 0.859 258 V CB 1.665 33.471 31.823 -0.028 0.000 0.988 258 V HN 1.058 nan 8.190 nan 0.000 0.431 259 S N 4.978 120.698 115.700 0.034 0.000 2.568 259 S HA 0.874 5.359 4.470 0.025 0.000 0.293 259 S C -1.156 173.456 174.600 0.020 0.000 1.089 259 S CA -0.810 57.375 58.200 -0.026 0.000 0.945 259 S CB 2.273 65.476 63.200 0.004 0.000 1.077 259 S HN 0.518 nan 8.310 nan 0.000 0.485 260 L N 1.891 123.025 121.223 -0.149 0.000 2.341 260 L HA 0.811 5.166 4.340 0.025 0.000 0.278 260 L C -1.933 174.841 176.870 -0.160 0.000 1.005 260 L CA -0.219 54.631 54.840 0.017 0.000 0.818 260 L CB 0.950 43.048 42.059 0.065 0.000 1.259 260 L HN 0.903 nan 8.230 nan 0.000 0.418 261 W N 3.209 124.614 121.300 0.175 0.000 2.864 261 W HA 0.614 5.288 4.660 0.025 0.000 0.343 261 W C -0.556 176.040 176.519 0.128 0.000 1.109 261 W CA -0.519 56.900 57.345 0.122 0.000 1.192 261 W CB 1.391 30.876 29.460 0.041 0.000 1.426 261 W HN 0.270 nan 8.180 nan 0.000 0.529 262 Q N 1.978 121.931 119.800 0.256 0.000 2.464 262 Q HA 0.426 4.781 4.340 0.025 0.000 0.256 262 Q C 0.544 176.567 176.000 0.039 0.000 1.020 262 Q CA 0.417 56.186 55.803 -0.056 0.000 0.716 262 Q CB 1.220 29.823 28.738 -0.226 0.000 1.230 262 Q HN 0.813 nan 8.270 nan 0.000 0.494 263 G N 3.322 112.145 108.800 0.040 0.000 2.556 263 G HA2 -0.325 3.650 3.960 0.025 0.000 0.283 263 G HA3 -0.325 3.650 3.960 0.025 0.000 0.283 263 G C 0.503 175.466 174.900 0.105 0.000 1.177 263 G CA 0.333 45.453 45.100 0.034 0.000 0.978 263 G HN 0.603 nan 8.290 nan 0.000 0.554 264 E N 0.936 121.195 120.200 0.099 0.000 2.442 264 E HA 0.109 4.474 4.350 0.025 0.000 0.195 264 E C 1.131 177.938 176.600 0.345 0.000 1.030 264 E CA 0.850 57.340 56.400 0.151 0.000 0.869 264 E CB -0.084 29.656 29.700 0.067 0.000 0.857 264 E HN 0.420 nan 8.360 nan 0.000 0.505 265 T N 2.586 117.291 114.554 0.251 0.000 2.752 265 T HA 0.053 4.418 4.350 0.025 0.000 0.295 265 T C 0.221 174.997 174.700 0.126 0.000 0.923 265 T CA 0.017 62.221 62.100 0.173 0.000 1.112 265 T CB 0.921 69.828 68.868 0.066 0.000 0.884 265 T HN 0.021 nan 8.240 nan 0.000 0.525 266 Q N 3.491 123.170 119.800 -0.202 0.000 2.295 266 Q HA 0.203 4.558 4.340 0.025 0.000 0.259 266 Q C 0.462 176.210 176.000 -0.421 0.000 0.976 266 Q CA -0.351 54.920 55.803 -0.886 0.000 0.923 266 Q CB 0.721 28.727 28.738 -1.220 0.000 1.185 266 Q HN 0.537 nan 8.270 nan 0.000 0.410 267 V N 3.038 122.749 119.914 -0.339 0.000 2.599 267 V HA 0.230 4.365 4.120 0.025 0.000 0.245 267 V C 0.377 176.374 176.094 -0.162 0.000 1.046 267 V CA 1.316 63.531 62.300 -0.143 0.000 1.065 267 V CB 0.284 32.124 31.823 0.028 0.000 0.703 267 V HN 0.816 nan 8.190 nan 0.000 0.464 268 A N -1.400 121.284 122.820 -0.227 0.000 2.601 268 A HA 0.778 5.113 4.320 0.025 0.000 0.291 268 A C -0.817 176.646 177.584 -0.202 0.000 1.075 268 A CA -0.038 51.897 52.037 -0.171 0.000 0.671 268 A CB 1.891 20.829 19.000 -0.102 0.000 1.277 268 A HN 0.050 nan 8.150 nan 0.000 0.417 269 S N -1.121 114.495 115.700 -0.140 0.000 2.548 269 S HA 0.719 5.204 4.470 0.025 0.000 0.278 269 S C -0.609 173.948 174.600 -0.072 0.000 1.150 269 S CA 0.237 58.369 58.200 -0.113 0.000 0.907 269 S CB 1.467 64.587 63.200 -0.134 0.000 1.108 269 S HN 2.303 nan 8.310 nan 0.000 0.459 270 G N 1.801 110.570 108.800 -0.051 0.000 2.667 270 G HA2 0.673 4.648 3.960 0.025 0.000 0.298 270 G HA3 0.673 4.648 3.960 0.025 0.000 0.298 270 G C -1.319 173.563 174.900 -0.030 0.000 1.377 270 G CA -0.413 44.662 45.100 -0.043 0.000 0.964 270 G HN 0.685 nan 8.290 nan 0.000 0.493 271 T N -0.216 114.323 114.554 -0.026 0.000 2.893 271 T HA 0.864 5.229 4.350 0.025 0.000 0.291 271 T C -0.293 174.372 174.700 -0.058 0.000 1.028 271 T CA 0.004 62.093 62.100 -0.017 0.000 0.995 271 T CB 1.841 70.733 68.868 0.039 0.000 1.051 271 T HN 1.531 nan 8.240 nan 0.000 0.470 272 A N 3.113 125.866 122.820 -0.112 0.000 2.608 272 A HA 0.898 5.233 4.320 0.025 0.000 0.292 272 A C -3.133 174.306 177.584 -0.241 0.000 1.066 272 A CA -1.509 50.440 52.037 -0.147 0.000 0.676 272 A CB 1.333 20.241 19.000 -0.153 0.000 1.277 272 A HN 0.529 nan 8.150 nan 0.000 0.413 273 P HA 0.562 nan 4.420 nan 0.000 0.281 273 P C -0.560 176.575 177.300 -0.274 0.000 1.264 273 P CA -0.363 62.614 63.100 -0.204 0.000 0.824 273 P CB 0.478 32.136 31.700 -0.069 0.000 1.092 274 F N 0.083 119.983 119.950 -0.082 0.000 2.490 274 F HA 0.418 4.960 4.527 0.025 0.000 0.336 274 F C 1.527 177.303 175.800 -0.040 0.000 1.178 274 F CA 1.752 59.714 58.000 -0.063 0.000 1.301 274 F CB 0.056 39.012 39.000 -0.073 0.000 1.175 274 F HN 0.590 nan 8.300 nan 0.000 0.593 275 G N 1.445 110.383 108.800 0.231 0.000 2.881 275 G HA2 0.323 4.298 3.960 0.025 0.000 0.597 275 G HA3 0.323 4.298 3.960 0.025 0.000 0.597 275 G C -0.435 174.516 174.900 0.084 0.000 1.188 275 G CA -0.757 44.421 45.100 0.130 0.000 1.218 275 G HN 1.047 nan 8.290 nan 0.000 0.544 276 G N 0.747 109.615 108.800 0.114 0.000 2.588 276 G HA2 0.687 4.663 3.960 0.025 0.000 0.281 276 G HA3 0.687 4.663 3.960 0.025 0.000 0.281 276 G C 0.481 175.422 174.900 0.068 0.000 1.236 276 G CA 0.116 45.271 45.100 0.091 0.000 0.969 276 G HN 1.082 nan 8.290 nan 0.000 0.504 277 E N -0.879 119.354 120.200 0.055 0.000 2.391 277 E HA 0.120 4.485 4.350 0.025 0.000 0.255 277 E C -0.436 176.192 176.600 0.047 0.000 1.187 277 E CA -0.693 55.730 56.400 0.038 0.000 0.941 277 E CB 0.543 30.259 29.700 0.026 0.000 1.010 277 E HN 0.057 nan 8.360 nan 0.000 0.458 278 I N 1.969 122.555 120.570 0.027 0.000 2.683 278 I HA -0.117 4.068 4.170 0.025 0.000 0.286 278 I C 1.147 177.281 176.117 0.029 0.000 1.175 278 I CA -0.032 61.279 61.300 0.018 0.000 1.429 278 I CB -0.133 37.870 38.000 0.006 0.000 1.371 278 I HN 0.605 nan 8.210 nan 0.000 0.569 279 I N 4.274 124.860 120.570 0.027 0.000 3.039 279 I HA 0.066 4.252 4.170 0.025 0.000 0.270 279 I C 0.656 176.784 176.117 0.018 0.000 1.150 279 I CA 0.923 62.249 61.300 0.044 0.000 1.448 279 I CB -0.589 37.459 38.000 0.081 0.000 1.197 279 I HN 0.743 nan 8.210 nan 0.000 0.450 280 D N -2.031 118.365 120.400 -0.006 0.000 2.946 280 D HA 0.126 4.781 4.640 0.025 0.000 0.337 280 D C 0.414 176.703 176.300 -0.018 0.000 1.332 280 D CA -0.403 53.591 54.000 -0.009 0.000 0.935 280 D CB 0.358 41.151 40.800 -0.011 0.000 1.440 280 D HN -0.248 nan 8.370 nan 0.000 0.540 281 E N -1.012 119.178 120.200 -0.017 0.000 2.331 281 E HA -0.036 4.329 4.350 0.025 0.000 0.199 281 E C 1.150 177.734 176.600 -0.027 0.000 1.008 281 E CA 0.885 57.274 56.400 -0.018 0.000 0.843 281 E CB -0.048 29.644 29.700 -0.014 0.000 0.761 281 E HN 0.200 nan 8.360 nan 0.000 0.507 282 R N -0.261 120.215 120.500 -0.041 0.000 2.393 282 R HA 0.316 4.671 4.340 0.025 0.000 0.244 282 R C 0.739 176.999 176.300 -0.066 0.000 0.920 282 R CA 0.626 56.694 56.100 -0.053 0.000 1.076 282 R CB 0.660 30.921 30.300 -0.066 0.000 1.119 282 R HN 0.204 nan 8.270 nan 0.000 0.524 283 G N -0.413 108.353 108.800 -0.057 0.000 2.443 283 G HA2 -0.154 3.821 3.960 0.025 0.000 0.209 283 G HA3 -0.154 3.821 3.960 0.025 0.000 0.209 283 G C -0.183 174.677 174.900 -0.068 0.000 1.176 283 G CA -0.611 44.456 45.100 -0.055 0.000 1.074 283 G HN 0.459 nan 8.290 nan 0.000 0.577 284 G N -1.985 106.772 108.800 -0.071 0.000 3.140 284 G HA2 0.641 4.616 3.960 0.025 0.000 0.271 284 G HA3 0.641 4.616 3.960 0.025 0.000 0.271 284 G C -1.528 173.295 174.900 -0.129 0.000 1.370 284 G CA -0.700 44.374 45.100 -0.043 0.000 1.014 284 G HN 0.764 nan 8.290 nan 0.000 0.541 285 Y N 1.048 121.353 120.300 0.009 0.000 2.595 285 Y HA 0.426 4.991 4.550 0.025 0.000 0.347 285 Y C 1.447 177.361 175.900 0.024 0.000 1.025 285 Y CA 0.032 58.138 58.100 0.011 0.000 1.295 285 Y CB 1.497 39.966 38.460 0.015 0.000 1.147 285 Y HN 0.541 nan 8.280 nan 0.000 0.515 286 A N 1.541 124.416 122.820 0.093 0.000 2.172 286 A HA -0.138 4.197 4.320 0.025 0.000 0.216 286 A C 1.281 178.915 177.584 0.082 0.000 1.154 286 A CA 1.390 53.471 52.037 0.072 0.000 0.701 286 A CB -0.287 18.716 19.000 0.005 0.000 0.789 286 A HN 0.754 nan 8.150 nan 0.000 0.465 287 D N -0.745 119.705 120.400 0.084 0.000 2.427 287 D HA 0.149 4.804 4.640 0.025 0.000 0.224 287 D C 0.427 176.783 176.300 0.093 0.000 1.157 287 D CA -0.116 53.849 54.000 -0.058 0.000 0.828 287 D CB -0.034 40.714 40.800 -0.087 0.000 0.974 287 D HN 0.450 nan 8.370 nan 0.000 0.498 288 R N -0.902 119.783 120.500 0.308 0.000 2.855 288 R HA 0.787 5.142 4.340 0.025 0.000 0.266 288 R C -1.495 174.965 176.300 0.267 0.000 1.034 288 R CA -1.220 55.065 56.100 0.309 0.000 0.944 288 R CB 2.861 33.206 30.300 0.075 0.000 1.219 288 R HN -0.031 nan 8.270 nan 0.000 0.474 289 V N 0.047 120.008 119.914 0.078 0.000 3.077 289 V HA 0.472 4.607 4.120 0.025 0.000 0.299 289 V C -1.605 174.440 176.094 -0.082 0.000 1.276 289 V CA -0.306 61.954 62.300 -0.067 0.000 0.993 289 V CB 2.793 34.444 31.823 -0.287 0.000 1.076 289 V HN 0.828 nan 8.190 nan 0.000 0.434 290 T N 7.205 121.717 114.554 -0.071 0.000 2.786 290 T HA 0.588 4.954 4.350 0.025 0.000 0.283 290 T C -0.860 173.801 174.700 -0.065 0.000 0.992 290 T CA -0.376 61.689 62.100 -0.060 0.000 0.954 290 T CB 0.960 69.803 68.868 -0.042 0.000 0.934 290 T HN 0.466 nan 8.240 nan 0.000 0.440 291 L N 3.910 125.096 121.223 -0.062 0.000 2.322 291 L HA 0.609 4.964 4.340 0.025 0.000 0.279 291 L C 0.428 177.271 176.870 -0.046 0.000 1.036 291 L CA -0.584 54.221 54.840 -0.059 0.000 0.807 291 L CB 1.438 43.460 42.059 -0.060 0.000 1.226 291 L HN 0.553 nan 8.230 nan 0.000 0.433 292 R N 4.157 124.629 120.500 -0.046 0.000 2.599 292 R HA 0.757 5.112 4.340 0.025 0.000 0.295 292 R C -1.263 175.010 176.300 -0.044 0.000 0.963 292 R CA -0.848 55.225 56.100 -0.045 0.000 0.883 292 R CB 2.165 32.438 30.300 -0.045 0.000 1.171 292 R HN 0.461 nan 8.270 nan 0.000 0.450 293 L N 2.455 123.653 121.223 -0.042 0.000 2.381 293 L HA 0.439 4.794 4.340 0.025 0.000 0.274 293 L C -0.523 176.323 176.870 -0.040 0.000 0.988 293 L CA -1.062 53.753 54.840 -0.041 0.000 0.824 293 L CB 1.992 44.030 42.059 -0.035 0.000 1.263 293 L HN 0.576 nan 8.230 nan 0.000 0.410 294 N N 1.465 120.138 118.700 -0.046 0.000 2.513 294 N HA 0.562 5.317 4.740 0.025 0.000 0.274 294 N C -1.046 174.429 175.510 -0.059 0.000 1.189 294 N CA -0.491 52.529 53.050 -0.049 0.000 0.975 294 N CB 1.771 40.230 38.487 -0.046 0.000 1.157 294 N HN 0.218 nan 8.380 nan 0.000 0.465 295 V N 0.938 120.809 119.914 -0.073 0.000 2.559 295 V HA 0.198 4.333 4.120 0.025 0.000 0.289 295 V C -0.786 175.250 176.094 -0.096 0.000 1.036 295 V CA -0.710 61.518 62.300 -0.121 0.000 0.887 295 V CB 1.346 33.014 31.823 -0.258 0.000 1.022 295 V HN 0.610 nan 8.190 nan 0.000 0.442 296 E N 2.647 122.809 120.200 -0.064 0.000 2.313 296 E HA 0.404 4.769 4.350 0.025 0.000 0.276 296 E C 0.304 176.888 176.600 -0.026 0.000 1.031 296 E CA -0.056 56.325 56.400 -0.031 0.000 0.857 296 E CB 0.286 29.976 29.700 -0.018 0.000 1.040 296 E HN 0.696 nan 8.360 nan 0.000 0.408 297 N N 1.823 120.528 118.700 0.009 0.000 2.686 297 N HA -0.153 4.602 4.740 0.025 0.000 0.261 297 N C -2.516 172.999 175.510 0.008 0.000 1.001 297 N CA -0.056 53.013 53.050 0.031 0.000 0.764 297 N CB -0.857 37.648 38.487 0.029 0.000 0.898 297 N HN 0.330 nan 8.380 nan 0.000 0.544 298 P HA 0.038 nan 4.420 nan 0.000 0.271 298 P C -0.487 176.832 177.300 0.031 0.000 1.218 298 P CA 0.237 63.238 63.100 -0.165 0.000 0.780 298 P CB 0.711 32.153 31.700 -0.430 0.000 0.901 299 K N 2.294 122.787 120.400 0.154 0.000 2.316 299 K HA 0.310 4.645 4.320 0.025 0.000 0.289 299 K C 0.108 176.854 176.600 0.243 0.000 1.070 299 K CA -0.390 55.996 56.287 0.166 0.000 0.928 299 K CB 0.186 32.768 32.500 0.136 0.000 1.039 299 K HN 0.396 nan 8.250 nan 0.000 0.480 300 L N 2.615 123.918 121.223 0.134 0.000 2.371 300 L HA 0.265 4.620 4.340 0.025 0.000 0.272 300 L C 0.006 176.935 176.870 0.099 0.000 1.124 300 L CA -0.763 54.157 54.840 0.134 0.000 0.816 300 L CB 0.399 42.374 42.059 -0.140 0.000 1.129 300 L HN 0.617 nan 8.230 nan 0.000 0.448 301 W N 3.747 125.066 121.300 0.032 0.000 2.315 301 W HA 0.425 5.100 4.660 0.024 0.000 0.316 301 W C 0.071 176.516 176.519 -0.122 0.000 1.211 301 W CA 0.173 57.521 57.345 0.005 0.000 1.201 301 W CB 1.082 30.602 29.460 0.099 0.000 1.184 301 W HN 0.614 nan 8.180 nan 0.000 0.544 302 S N 3.122 118.218 115.700 -1.007 0.000 2.615 302 S HA 0.631 5.116 4.470 0.025 0.000 0.269 302 S C 0.110 173.924 174.600 -1.310 0.000 1.161 302 S CA -0.413 57.255 58.200 -0.887 0.000 0.817 302 S CB 1.141 64.008 63.200 -0.555 0.000 1.131 302 S HN 0.988 nan 8.310 nan 0.000 0.467 303 A N 0.539 122.739 122.820 -1.034 0.000 2.015 303 A HA 0.033 4.368 4.320 0.025 0.000 0.219 303 A C 1.755 178.995 177.584 -0.573 0.000 1.163 303 A CA 1.461 52.893 52.037 -1.009 0.000 0.646 303 A CB -0.953 17.303 19.000 -1.241 0.000 0.806 303 A HN 0.874 nan 8.150 nan 0.000 0.448 304 E N -0.784 119.213 120.200 -0.338 0.000 2.047 304 E HA 0.007 4.372 4.350 0.025 0.000 0.191 304 E C -0.228 176.217 176.600 -0.258 0.000 0.987 304 E CA 0.759 57.027 56.400 -0.220 0.000 0.799 304 E CB -0.020 29.692 29.700 0.021 0.000 0.752 304 E HN 0.599 nan 8.360 nan 0.000 0.449 305 I N 1.671 122.056 120.570 -0.308 0.000 2.560 305 I HA 0.134 4.320 4.170 0.025 0.000 0.278 305 I C -2.491 173.390 176.117 -0.394 0.000 1.089 305 I CA -1.894 59.249 61.300 -0.260 0.000 1.086 305 I CB 2.393 40.295 38.000 -0.164 0.000 1.202 305 I HN -0.193 nan 8.210 nan 0.000 0.471 306 P HA 0.074 nan 4.420 nan 0.000 0.225 306 P C -0.597 176.685 177.300 -0.029 0.000 1.768 306 P CA -0.243 62.549 63.100 -0.512 0.000 0.943 306 P CB -0.322 31.238 31.700 -0.234 0.000 1.936 307 N N 1.578 120.291 118.700 0.022 0.000 2.447 307 N HA 0.112 4.867 4.740 0.025 0.000 0.263 307 N C 0.111 175.872 175.510 0.418 0.000 1.226 307 N CA 0.511 53.665 53.050 0.173 0.000 0.906 307 N CB 0.620 39.198 38.487 0.151 0.000 1.060 307 N HN 0.294 nan 8.380 nan 0.000 0.468 308 L N 2.364 123.758 121.223 0.284 0.000 2.370 308 L HA 0.490 4.845 4.340 0.025 0.000 0.266 308 L C -0.792 176.212 176.870 0.224 0.000 1.002 308 L CA -0.896 54.157 54.840 0.355 0.000 0.818 308 L CB 1.254 43.468 42.059 0.259 0.000 1.325 308 L HN 0.357 nan 8.230 nan 0.000 0.418 309 Y N 0.178 120.630 120.300 0.254 0.000 2.650 309 Y HA 0.647 5.212 4.550 0.026 0.000 0.331 309 Y C -0.165 175.860 175.900 0.209 0.000 1.082 309 Y CA -0.965 57.284 58.100 0.248 0.000 1.171 309 Y CB 1.557 40.223 38.460 0.343 0.000 1.326 309 Y HN 0.381 nan 8.280 nan 0.000 0.513 310 R N 1.070 121.814 120.500 0.408 0.000 2.393 310 R HA 0.779 5.134 4.340 0.025 0.000 0.315 310 R C -1.503 174.994 176.300 0.328 0.000 0.952 310 R CA -0.503 55.766 56.100 0.282 0.000 0.842 310 R CB 0.876 31.264 30.300 0.147 0.000 1.163 310 R HN 0.738 nan 8.270 nan 0.000 0.450 311 A N 4.182 127.139 122.820 0.228 0.000 2.260 311 A HA 0.563 4.898 4.320 0.025 0.000 0.308 311 A C -0.900 176.754 177.584 0.117 0.000 1.254 311 A CA -0.586 51.565 52.037 0.190 0.000 0.874 311 A CB 0.959 20.046 19.000 0.145 0.000 1.153 311 A HN 0.501 nan 8.150 nan 0.000 0.527 312 V N 3.685 123.684 119.914 0.142 0.000 2.495 312 V HA 0.367 4.502 4.120 0.025 0.000 0.298 312 V C -0.297 175.783 176.094 -0.024 0.000 1.031 312 V CA -0.498 61.819 62.300 0.029 0.000 0.871 312 V CB 1.749 33.604 31.823 0.054 0.000 0.988 312 V HN 0.611 nan 8.190 nan 0.000 0.432 313 V N 4.550 124.377 119.914 -0.144 0.000 2.311 313 V HA 0.414 4.550 4.120 0.025 0.000 0.275 313 V C -0.025 176.008 176.094 -0.103 0.000 1.022 313 V CA -0.569 61.620 62.300 -0.186 0.000 0.830 313 V CB 1.047 32.596 31.823 -0.457 0.000 1.012 313 V HN 0.906 nan 8.190 nan 0.000 0.452 314 E N 3.639 123.830 120.200 -0.015 0.000 2.151 314 E HA 0.515 4.880 4.350 0.025 0.000 0.275 314 E C -0.933 175.753 176.600 0.143 0.000 0.936 314 E CA -0.754 55.689 56.400 0.072 0.000 0.777 314 E CB 2.312 32.086 29.700 0.122 0.000 1.108 314 E HN 0.553 nan 8.360 nan 0.000 0.401 315 L N 5.007 126.294 121.223 0.106 0.000 2.272 315 L HA 0.432 4.787 4.340 0.025 0.000 0.289 315 L C -0.925 176.047 176.870 0.170 0.000 1.032 315 L CA 0.175 55.068 54.840 0.088 0.000 0.810 315 L CB 0.142 42.232 42.059 0.052 0.000 1.205 315 L HN 0.702 nan 8.230 nan 0.000 0.422 316 H N 0.198 119.299 119.070 0.052 0.000 2.905 316 H HA 0.766 5.337 4.556 0.025 0.000 0.280 316 H C -0.975 174.419 175.328 0.110 0.000 1.445 316 H CA -0.508 55.579 56.048 0.066 0.000 1.165 316 H CB 0.647 30.432 29.762 0.039 0.000 1.857 316 H HN 0.460 nan 8.280 nan 0.000 0.567 317 T N -1.976 112.753 114.554 0.291 0.000 2.934 317 T HA 0.565 4.930 4.350 0.025 0.000 0.283 317 T C 1.364 176.240 174.700 0.295 0.000 1.005 317 T CA -0.424 61.837 62.100 0.268 0.000 1.041 317 T CB 1.653 70.646 68.868 0.208 0.000 1.042 317 T HN 0.933 nan 8.240 nan 0.000 0.505 318 A N 1.376 124.328 122.820 0.219 0.000 2.024 318 A HA -0.109 4.226 4.320 0.025 0.000 0.220 318 A C 1.887 179.547 177.584 0.128 0.000 1.164 318 A CA 1.688 53.824 52.037 0.165 0.000 0.643 318 A CB -0.897 18.186 19.000 0.137 0.000 0.806 318 A HN 0.976 nan 8.150 nan 0.000 0.451 319 D N -1.274 119.180 120.400 0.090 0.000 2.336 319 D HA 0.204 4.859 4.640 0.025 0.000 0.229 319 D C 1.061 177.393 176.300 0.053 0.000 1.061 319 D CA 0.850 54.875 54.000 0.042 0.000 0.875 319 D CB -0.826 39.967 40.800 -0.011 0.000 0.904 319 D HN 0.824 nan 8.370 nan 0.000 0.525 320 G N -0.258 108.606 108.800 0.107 0.000 2.147 320 G HA2 -0.235 3.740 3.960 0.025 0.000 0.244 320 G HA3 -0.235 3.740 3.960 0.025 0.000 0.244 320 G C 0.119 175.043 174.900 0.040 0.000 1.005 320 G CA 0.346 45.475 45.100 0.047 0.000 0.713 320 G HN 0.447 nan 8.290 nan 0.000 0.515 321 T N 0.747 115.361 114.554 0.100 0.000 2.767 321 T HA 0.517 4.882 4.350 0.025 0.000 0.284 321 T C 0.276 175.050 174.700 0.123 0.000 0.973 321 T CA -0.421 61.724 62.100 0.074 0.000 0.996 321 T CB 1.743 70.645 68.868 0.056 0.000 0.927 321 T HN 0.488 nan 8.240 nan 0.000 0.456 322 L N 5.582 126.849 121.223 0.074 0.000 2.418 322 L HA 0.293 4.648 4.340 0.025 0.000 0.274 322 L C 0.882 177.806 176.870 0.089 0.000 1.135 322 L CA 0.429 55.323 54.840 0.090 0.000 0.870 322 L CB -0.111 41.969 42.059 0.034 0.000 1.154 322 L HN 0.697 nan 8.230 nan 0.000 0.462 323 I N 2.874 123.508 120.570 0.106 0.000 2.499 323 I HA 0.108 4.293 4.170 0.025 0.000 0.243 323 I C 0.315 176.458 176.117 0.043 0.000 1.085 323 I CA 0.437 61.779 61.300 0.070 0.000 1.422 323 I CB -0.031 38.011 38.000 0.070 0.000 1.165 323 I HN 0.749 nan 8.210 nan 0.000 0.440 324 E N 0.466 120.692 120.200 0.044 0.000 2.429 324 E HA 0.726 5.091 4.350 0.025 0.000 0.280 324 E C -1.424 175.197 176.600 0.035 0.000 1.068 324 E CA -1.031 55.386 56.400 0.027 0.000 0.837 324 E CB 1.929 31.614 29.700 -0.025 0.000 1.357 324 E HN 0.049 nan 8.360 nan 0.000 0.455 325 A N 1.049 123.912 122.820 0.071 0.000 2.435 325 A HA 0.733 5.068 4.320 0.025 0.000 0.304 325 A C -0.995 176.679 177.584 0.150 0.000 1.064 325 A CA -0.698 51.383 52.037 0.073 0.000 0.727 325 A CB 1.593 20.631 19.000 0.063 0.000 1.284 325 A HN 0.514 nan 8.150 nan 0.000 0.415 326 E N -0.482 119.734 120.200 0.027 0.000 2.410 326 E HA 0.843 5.208 4.350 0.025 0.000 0.269 326 E C -0.521 176.098 176.600 0.031 0.000 0.937 326 E CA -0.462 55.999 56.400 0.101 0.000 0.793 326 E CB 2.438 32.056 29.700 -0.136 0.000 1.314 326 E HN 1.269 nan 8.360 nan 0.000 0.447 327 A N -0.236 122.725 122.820 0.236 0.000 2.511 327 A HA 0.738 5.073 4.320 0.025 0.000 0.293 327 A C -1.289 176.487 177.584 0.320 0.000 1.098 327 A CA -0.201 51.895 52.037 0.098 0.000 0.643 327 A CB 0.674 19.670 19.000 -0.007 0.000 1.302 327 A HN 0.961 nan 8.150 nan 0.000 0.446 328 C N -0.904 118.545 119.300 0.249 0.000 3.306 328 C HA 0.778 5.253 4.460 0.025 0.000 0.335 328 C C -1.650 173.445 174.990 0.176 0.000 1.382 328 C CA -0.903 58.269 59.018 0.257 0.000 1.254 328 C CB 0.929 28.855 27.740 0.310 0.000 1.555 328 C HN 0.851 nan 8.230 nan 0.000 0.463 329 D N 0.927 121.412 120.400 0.140 0.000 2.255 329 D HA 0.568 5.223 4.640 0.025 0.000 0.249 329 D C -0.451 175.904 176.300 0.092 0.000 1.078 329 D CA 0.120 54.202 54.000 0.135 0.000 0.896 329 D CB 1.933 42.813 40.800 0.134 0.000 1.194 329 D HN 0.562 nan 8.370 nan 0.000 0.429 330 V N 0.799 120.795 119.914 0.137 0.000 2.540 330 V HA 0.603 4.738 4.120 0.025 0.000 0.302 330 V C 0.525 176.695 176.094 0.128 0.000 1.035 330 V CA -0.891 61.439 62.300 0.050 0.000 0.873 330 V CB 2.026 33.873 31.823 0.041 0.000 0.992 330 V HN 0.630 nan 8.190 nan 0.000 0.428 331 G N 3.176 111.939 108.800 -0.062 0.000 2.468 331 G HA2 0.566 4.541 3.960 0.025 0.000 0.315 331 G HA3 0.566 4.541 3.960 0.025 0.000 0.315 331 G C -0.810 174.147 174.900 0.095 0.000 1.203 331 G CA -0.361 44.759 45.100 0.033 0.000 0.962 331 G HN 0.450 nan 8.290 nan 0.000 0.476 332 F N 4.137 124.250 119.950 0.271 0.000 2.490 332 F HA 0.320 4.862 4.527 0.025 0.000 0.357 332 F C 1.240 177.283 175.800 0.405 0.000 1.166 332 F CA -0.005 58.217 58.000 0.370 0.000 1.116 332 F CB 0.417 39.642 39.000 0.375 0.000 1.171 332 F HN 0.427 nan 8.300 nan 0.000 0.576 333 R N 3.197 123.962 120.500 0.441 0.000 2.643 333 R HA 0.428 4.783 4.340 0.025 0.000 0.269 333 R C -1.687 174.760 176.300 0.245 0.000 1.037 333 R CA -0.760 55.471 56.100 0.218 0.000 0.894 333 R CB 1.658 32.121 30.300 0.272 0.000 1.238 333 R HN 0.560 nan 8.270 nan 0.000 0.459 334 E N 2.622 122.872 120.200 0.084 0.000 2.158 334 E HA 0.449 4.814 4.350 0.025 0.000 0.271 334 E C -1.245 175.419 176.600 0.108 0.000 0.911 334 E CA -0.899 55.621 56.400 0.199 0.000 0.767 334 E CB 1.996 31.891 29.700 0.325 0.000 1.120 334 E HN 0.417 nan 8.360 nan 0.000 0.405 335 V N 5.788 125.763 119.914 0.102 0.000 2.487 335 V HA 0.598 4.733 4.120 0.025 0.000 0.298 335 V C -0.229 175.901 176.094 0.059 0.000 1.028 335 V CA -0.691 61.640 62.300 0.051 0.000 0.860 335 V CB 1.251 33.081 31.823 0.011 0.000 0.991 335 V HN 0.754 nan 8.190 nan 0.000 0.427 336 R N 4.015 124.545 120.500 0.050 0.000 2.716 336 R HA 0.711 5.066 4.340 0.025 0.000 0.271 336 R C -2.011 174.309 176.300 0.035 0.000 1.028 336 R CA -0.964 55.167 56.100 0.052 0.000 0.883 336 R CB 1.981 32.325 30.300 0.074 0.000 1.250 336 R HN 0.489 nan 8.270 nan 0.000 0.465 337 I N 0.929 121.520 120.570 0.035 0.000 2.354 337 I HA 0.361 4.546 4.170 0.025 0.000 0.292 337 I C -0.609 175.526 176.117 0.030 0.000 0.989 337 I CA -0.404 60.911 61.300 0.025 0.000 1.188 337 I CB 1.875 39.891 38.000 0.027 0.000 1.342 337 I HN 0.709 nan 8.210 nan 0.000 0.457 338 E N 5.676 125.889 120.200 0.022 0.000 2.304 338 E HA 0.243 4.608 4.350 0.025 0.000 0.277 338 E C -0.326 176.283 176.600 0.016 0.000 0.898 338 E CA -0.574 55.841 56.400 0.025 0.000 0.764 338 E CB 1.069 30.790 29.700 0.034 0.000 1.216 338 E HN 0.523 nan 8.360 nan 0.000 0.419 339 N N 3.236 121.946 118.700 0.016 0.000 2.721 339 N HA -0.240 4.515 4.740 0.025 0.000 0.249 339 N C 0.484 175.996 175.510 0.004 0.000 1.072 339 N CA 2.272 55.328 53.050 0.010 0.000 0.710 339 N CB -1.176 37.316 38.487 0.009 0.000 0.993 339 N HN 1.038 nan 8.380 nan 0.000 0.547 340 G N -2.368 106.435 108.800 0.005 0.000 2.176 340 G HA2 -0.273 3.702 3.960 0.025 0.000 0.253 340 G HA3 -0.273 3.702 3.960 0.025 0.000 0.253 340 G C -0.091 174.799 174.900 -0.016 0.000 0.979 340 G CA 0.483 45.581 45.100 -0.003 0.000 0.641 340 G HN 0.482 nan 8.290 nan 0.000 0.530 341 L N -0.001 121.213 121.223 -0.015 0.000 2.346 341 L HA 0.724 5.079 4.340 0.025 0.000 0.274 341 L C 0.052 176.906 176.870 -0.028 0.000 1.007 341 L CA -1.361 53.460 54.840 -0.031 0.000 0.818 341 L CB 1.874 43.913 42.059 -0.033 0.000 1.284 341 L HN 0.070 nan 8.230 nan 0.000 0.424 342 L N 4.347 125.540 121.223 -0.049 0.000 2.283 342 L HA 0.438 4.794 4.340 0.025 0.000 0.287 342 L C -0.767 176.068 176.870 -0.059 0.000 1.073 342 L CA 0.338 55.148 54.840 -0.051 0.000 0.822 342 L CB 0.154 42.167 42.059 -0.077 0.000 1.186 342 L HN 0.374 nan 8.230 nan 0.000 0.436 343 L N 5.603 126.807 121.223 -0.031 0.000 2.334 343 L HA 0.575 4.930 4.340 0.025 0.000 0.273 343 L C -0.749 176.112 176.870 -0.015 0.000 1.013 343 L CA -0.840 53.988 54.840 -0.020 0.000 0.816 343 L CB 1.821 43.892 42.059 0.019 0.000 1.278 343 L HN 0.517 nan 8.230 nan 0.000 0.431 344 L N 3.433 124.654 121.223 -0.003 0.000 2.343 344 L HA 0.489 4.844 4.340 0.025 0.000 0.278 344 L C -0.245 176.649 176.870 0.039 0.000 0.996 344 L CA -0.060 54.793 54.840 0.022 0.000 0.831 344 L CB 0.967 43.034 42.059 0.014 0.000 1.232 344 L HN 0.604 nan 8.230 nan 0.000 0.413 345 N N 4.196 122.794 118.700 -0.170 0.000 2.716 345 N HA -0.224 4.531 4.740 0.025 0.000 0.250 345 N C 0.936 176.166 175.510 -0.467 0.000 1.033 345 N CA 1.317 53.977 53.050 -0.651 0.000 0.727 345 N CB -1.173 36.835 38.487 -0.799 0.000 0.950 345 N HN 1.173 nan 8.380 nan 0.000 0.541 346 G N -1.984 106.771 108.800 -0.075 0.000 2.184 346 G HA2 -0.353 3.622 3.960 0.025 0.000 0.264 346 G HA3 -0.353 3.622 3.960 0.025 0.000 0.264 346 G C -0.023 174.898 174.900 0.035 0.000 0.975 346 G CA 0.982 46.136 45.100 0.090 0.000 0.642 346 G HN 0.467 nan 8.290 nan 0.000 0.536 347 K N 0.352 120.754 120.400 0.003 0.000 2.267 347 K HA 0.573 4.908 4.320 0.025 0.000 0.246 347 K C -2.991 173.564 176.600 -0.076 0.000 0.954 347 K CA -2.244 54.002 56.287 -0.067 0.000 0.824 347 K CB 2.445 34.816 32.500 -0.215 0.000 1.167 347 K HN 0.003 nan 8.250 nan 0.000 0.431 348 P HA 0.234 nan 4.420 nan 0.000 0.282 348 P C -0.134 177.088 177.300 -0.130 0.000 1.274 348 P CA -0.245 62.795 63.100 -0.100 0.000 0.770 348 P CB 0.424 32.071 31.700 -0.089 0.000 0.867 349 L N 3.576 124.718 121.223 -0.136 0.000 2.452 349 L HA 0.253 4.608 4.340 0.025 0.000 0.267 349 L C 0.663 177.441 176.870 -0.152 0.000 1.188 349 L CA -0.530 54.217 54.840 -0.154 0.000 0.821 349 L CB 0.340 42.260 42.059 -0.231 0.000 1.102 349 L HN 0.262 nan 8.230 nan 0.000 0.470 350 L N 4.237 125.391 121.223 -0.115 0.000 2.388 350 L HA 0.404 4.759 4.340 0.025 0.000 0.267 350 L C -0.416 176.403 176.870 -0.084 0.000 0.995 350 L CA -0.173 54.587 54.840 -0.135 0.000 0.864 350 L CB 0.807 42.817 42.059 -0.081 0.000 1.216 350 L HN 0.270 nan 8.230 nan 0.000 0.430 351 I N 4.917 125.367 120.570 -0.200 0.000 2.494 351 I HA 0.132 4.317 4.170 0.025 0.000 0.289 351 I C 0.396 176.467 176.117 -0.076 0.000 1.106 351 I CA 0.143 61.335 61.300 -0.179 0.000 1.369 351 I CB 0.195 37.974 38.000 -0.369 0.000 1.410 351 I HN 0.580 nan 8.210 nan 0.000 0.523 352 R N 4.808 125.347 120.500 0.065 0.000 2.755 352 R HA 0.453 4.808 4.340 0.025 0.000 0.268 352 R C 0.465 176.827 176.300 0.103 0.000 1.295 352 R CA -0.230 55.938 56.100 0.112 0.000 1.379 352 R CB 0.948 31.130 30.300 -0.197 0.000 1.170 352 R HN 0.750 nan 8.270 nan 0.000 0.584 353 G N 0.073 108.907 108.800 0.057 0.000 2.537 353 G HA2 0.608 4.583 3.960 0.025 0.000 0.323 353 G HA3 0.608 4.583 3.960 0.025 0.000 0.323 353 G C -1.376 173.825 174.900 0.501 0.000 1.207 353 G CA -0.525 44.637 45.100 0.104 0.000 0.976 353 G HN 0.258 nan 8.290 nan 0.000 0.487 354 V N 0.119 120.335 119.914 0.504 0.000 2.925 354 V HA 0.487 4.623 4.120 0.025 0.000 0.311 354 V C -0.955 175.298 176.094 0.266 0.000 1.104 354 V CA -1.242 61.244 62.300 0.311 0.000 0.954 354 V CB 2.190 33.911 31.823 -0.169 0.000 1.022 354 V HN 0.740 nan 8.190 nan 0.000 0.427 355 N N 4.553 123.311 118.700 0.096 0.000 2.514 355 N HA 0.393 5.148 4.740 0.025 0.000 0.277 355 N C -0.724 174.581 175.510 -0.343 0.000 1.126 355 N CA -0.214 52.738 53.050 -0.163 0.000 0.978 355 N CB 1.286 39.587 38.487 -0.311 0.000 1.106 355 N HN 0.635 nan 8.380 nan 0.000 0.461 356 R N 2.535 122.810 120.500 -0.375 0.000 2.514 356 R HA 0.231 4.586 4.340 0.025 0.000 0.296 356 R C -1.116 174.950 176.300 -0.389 0.000 1.012 356 R CA -0.525 55.373 56.100 -0.336 0.000 0.897 356 R CB 0.903 31.012 30.300 -0.318 0.000 1.184 356 R HN 0.595 nan 8.270 nan 0.000 0.440 357 H N 2.186 121.112 119.070 -0.240 0.000 2.495 357 H HA 0.157 4.729 4.556 0.026 0.000 0.350 357 H C -0.431 174.872 175.328 -0.042 0.000 1.202 357 H CA -0.117 55.872 56.048 -0.098 0.000 1.322 357 H CB 1.570 31.343 29.762 0.018 0.000 1.544 357 H HN 0.571 nan 8.280 nan 0.000 0.565 358 E N 1.781 122.139 120.200 0.263 0.000 1.932 358 E HA 0.088 4.453 4.350 0.025 0.000 0.259 358 E C -0.604 176.111 176.600 0.191 0.000 1.099 358 E CA -0.104 56.374 56.400 0.130 0.000 0.970 358 E CB 0.052 29.821 29.700 0.116 0.000 1.143 358 E HN 0.363 nan 8.360 nan 0.000 0.441 359 H N 1.325 120.433 119.070 0.064 0.000 2.538 359 H HA 0.257 4.828 4.556 0.025 0.000 0.353 359 H C -1.387 173.959 175.328 0.029 0.000 1.109 359 H CA -0.743 55.330 56.048 0.042 0.000 1.192 359 H CB 1.054 30.822 29.762 0.011 0.000 1.555 359 H HN 0.326 nan 8.280 nan 0.000 0.518 360 H N 6.674 125.341 119.070 -0.672 0.000 2.727 360 H HA 0.190 4.761 4.556 0.025 0.000 0.330 360 H C -2.197 172.751 175.328 -0.634 0.000 0.986 360 H CA -2.416 53.367 56.048 -0.441 0.000 1.251 360 H CB 2.363 32.023 29.762 -0.169 0.000 1.493 360 H HN 0.605 nan 8.280 nan 0.000 0.515 361 P HA -0.111 nan 4.420 nan 0.000 0.219 361 P C 1.174 178.350 177.300 -0.207 0.000 1.146 361 P CA 0.820 63.741 63.100 -0.298 0.000 0.808 361 P CB 0.842 32.417 31.700 -0.208 0.000 0.779 362 L N -2.189 119.025 121.223 -0.015 0.000 2.362 362 L HA 0.127 4.482 4.340 0.025 0.000 0.204 362 L C 2.280 178.870 176.870 -0.467 0.000 1.060 362 L CA 0.674 55.379 54.840 -0.225 0.000 0.827 362 L CB -0.491 41.325 42.059 -0.405 0.000 1.027 362 L HN -0.052 nan 8.230 nan 0.000 0.474 363 H N -0.871 118.204 119.070 0.008 0.000 2.539 363 H HA 0.230 4.801 4.556 0.025 0.000 0.269 363 H C 1.437 176.656 175.328 -0.183 0.000 0.980 363 H CA 0.320 56.229 56.048 -0.231 0.000 1.152 363 H CB 0.453 29.926 29.762 -0.481 0.000 1.407 363 H HN 0.402 nan 8.280 nan 0.000 0.564 364 G N 1.318 110.030 108.800 -0.146 0.000 2.720 364 G HA2 -0.403 3.572 3.960 0.025 0.000 0.293 364 G HA3 -0.403 3.572 3.960 0.025 0.000 0.293 364 G C 0.776 175.560 174.900 -0.193 0.000 1.256 364 G CA 0.493 45.435 45.100 -0.264 0.000 0.974 364 G HN 0.461 nan 8.290 nan 0.000 0.551 365 Q N -0.121 119.605 119.800 -0.123 0.000 2.194 365 Q HA 0.508 4.863 4.340 0.025 0.000 0.214 365 Q C 0.231 176.303 176.000 0.119 0.000 0.838 365 Q CA -0.126 55.652 55.803 -0.041 0.000 0.972 365 Q CB 1.691 30.319 28.738 -0.184 0.000 1.131 365 Q HN 0.360 nan 8.270 nan 0.000 0.498 366 V N 2.035 121.997 119.914 0.080 0.000 2.498 366 V HA 0.184 4.319 4.120 0.025 0.000 0.279 366 V C 0.069 176.183 176.094 0.033 0.000 1.048 366 V CA 0.052 62.399 62.300 0.078 0.000 0.967 366 V CB 1.104 32.912 31.823 -0.024 0.000 0.988 366 V HN 0.323 nan 8.190 nan 0.000 0.473 367 M N 5.694 125.306 119.600 0.020 0.000 2.336 367 M HA 0.438 4.933 4.480 0.025 0.000 0.342 367 M C -0.327 175.883 176.300 -0.150 0.000 1.128 367 M CA -0.668 54.601 55.300 -0.052 0.000 1.016 367 M CB 1.581 34.125 32.600 -0.094 0.000 1.665 367 M HN 0.829 nan 8.290 nan 0.000 0.445 368 D N 1.106 121.448 120.400 -0.097 0.000 2.350 368 D HA 0.203 4.858 4.640 0.025 0.000 0.238 368 D C 0.232 176.495 176.300 -0.061 0.000 0.989 368 D CA -0.409 53.532 54.000 -0.097 0.000 0.921 368 D CB 1.776 42.544 40.800 -0.055 0.000 1.297 368 D HN 0.738 nan 8.370 nan 0.000 0.490 369 E N 0.111 120.289 120.200 -0.037 0.000 2.077 369 E HA -0.271 4.095 4.350 0.025 0.000 0.193 369 E C 1.702 178.343 176.600 0.068 0.000 0.989 369 E CA 1.107 57.523 56.400 0.026 0.000 0.800 369 E CB 0.119 29.850 29.700 0.051 0.000 0.746 369 E HN 0.472 nan 8.360 nan 0.000 0.452 370 Q N -0.122 119.717 119.800 0.065 0.000 2.061 370 Q HA -0.156 4.199 4.340 0.025 0.000 0.204 370 Q C 2.135 178.193 176.000 0.097 0.000 0.984 370 Q CA 2.204 58.057 55.803 0.083 0.000 0.846 370 Q CB -0.147 28.639 28.738 0.080 0.000 0.902 370 Q HN 0.352 nan 8.270 nan 0.000 0.421 371 T N 1.058 115.676 114.554 0.108 0.000 2.788 371 T HA -0.157 4.208 4.350 0.025 0.000 0.268 371 T C 1.899 176.672 174.700 0.122 0.000 1.044 371 T CA 1.457 63.632 62.100 0.125 0.000 1.139 371 T CB -0.139 68.827 68.868 0.163 0.000 0.867 371 T HN 0.285 nan 8.240 nan 0.000 0.454 372 M N 0.453 120.131 119.600 0.129 0.000 2.059 372 M HA -0.103 4.392 4.480 0.025 0.000 0.259 372 M C 2.517 178.940 176.300 0.204 0.000 1.072 372 M CA 1.441 56.893 55.300 0.252 0.000 1.117 372 M CB -0.830 31.974 32.600 0.340 0.000 1.320 372 M HN 0.073 nan 8.290 nan 0.000 0.408 373 V N 0.494 120.466 119.914 0.097 0.000 2.282 373 V HA -0.345 3.790 4.120 0.025 0.000 0.249 373 V C 2.395 178.459 176.094 -0.050 0.000 1.057 373 V CA 2.365 64.643 62.300 -0.037 0.000 1.032 373 V CB -0.947 30.901 31.823 0.043 0.000 0.645 373 V HN 0.573 nan 8.190 nan 0.000 0.447 374 Q N -0.436 119.392 119.800 0.048 0.000 2.061 374 Q HA -0.285 4.070 4.340 0.025 0.000 0.204 374 Q C 2.026 178.095 176.000 0.114 0.000 0.984 374 Q CA 2.336 58.189 55.803 0.082 0.000 0.846 374 Q CB -0.189 28.615 28.738 0.110 0.000 0.902 374 Q HN 0.630 nan 8.270 nan 0.000 0.421 375 D N 0.111 120.596 120.400 0.142 0.000 2.097 375 D HA -0.137 4.518 4.640 0.025 0.000 0.195 375 D C 1.906 178.167 176.300 -0.066 0.000 0.989 375 D CA 1.187 55.281 54.000 0.157 0.000 0.827 375 D CB -0.156 40.725 40.800 0.135 0.000 0.966 375 D HN 0.365 nan 8.370 nan 0.000 0.456 376 I N 0.445 120.966 120.570 -0.082 0.000 2.252 376 I HA -0.221 3.964 4.170 0.025 0.000 0.245 376 I C 2.445 178.433 176.117 -0.216 0.000 1.102 376 I CA 0.560 61.712 61.300 -0.247 0.000 1.385 376 I CB -0.150 37.589 38.000 -0.435 0.000 1.064 376 I HN -0.000 nan 8.210 nan 0.000 0.414 377 L N 0.215 121.343 121.223 -0.159 0.000 2.042 377 L HA -0.247 4.108 4.340 0.025 0.000 0.210 377 L C 2.573 179.509 176.870 0.110 0.000 1.076 377 L CA 1.497 56.333 54.840 -0.007 0.000 0.749 377 L CB -0.477 41.599 42.059 0.029 0.000 0.893 377 L HN 0.283 nan 8.230 nan 0.000 0.432 378 L N -1.175 120.132 121.223 0.140 0.000 2.056 378 L HA -0.228 4.128 4.340 0.025 0.000 0.207 378 L C 2.663 179.691 176.870 0.263 0.000 1.078 378 L CA 1.228 56.229 54.840 0.269 0.000 0.749 378 L CB -0.274 42.052 42.059 0.444 0.000 0.901 378 L HN 0.271 nan 8.230 nan 0.000 0.433 379 M N -0.647 118.936 119.600 -0.028 0.000 2.065 379 M HA -0.258 4.237 4.480 0.025 0.000 0.259 379 M C 2.293 178.685 176.300 0.152 0.000 1.069 379 M CA 1.872 57.049 55.300 -0.204 0.000 1.110 379 M CB -0.424 31.805 32.600 -0.618 0.000 1.328 379 M HN 0.086 nan 8.290 nan 0.000 0.405 380 K N 0.133 120.538 120.400 0.008 0.000 2.063 380 K HA -0.199 4.136 4.320 0.025 0.000 0.208 380 K C 1.936 178.563 176.600 0.044 0.000 1.048 380 K CA 1.466 57.685 56.287 -0.114 0.000 0.928 380 K CB -0.242 32.040 32.500 -0.363 0.000 0.713 380 K HN 0.432 nan 8.250 nan 0.000 0.442 381 Q N 0.254 120.226 119.800 0.288 0.000 2.436 381 Q HA -0.011 4.344 4.340 0.025 0.000 0.209 381 Q C 0.779 177.088 176.000 0.515 0.000 0.965 381 Q CA 0.646 56.724 55.803 0.459 0.000 0.910 381 Q CB 0.220 29.221 28.738 0.437 0.000 0.980 381 Q HN 0.249 nan 8.270 nan 0.000 0.491 382 N N 0.442 119.394 118.700 0.420 0.000 2.238 382 N HA 0.058 4.813 4.740 0.025 0.000 0.222 382 N C -0.577 175.078 175.510 0.242 0.000 1.133 382 N CA 0.053 53.356 53.050 0.421 0.000 0.854 382 N CB 0.731 39.547 38.487 0.548 0.000 1.041 382 N HN 0.139 nan 8.380 nan 0.000 0.510 383 N N 0.155 118.986 118.700 0.219 0.000 2.776 383 N HA -0.182 4.573 4.740 0.025 0.000 0.250 383 N C -0.891 174.508 175.510 -0.185 0.000 1.112 383 N CA 0.732 53.829 53.050 0.078 0.000 0.733 383 N CB -1.741 36.681 38.487 -0.109 0.000 1.097 383 N HN 0.229 nan 8.380 nan 0.000 0.558 384 F N 1.028 120.994 119.950 0.026 0.000 2.375 384 F HA 0.328 4.870 4.527 0.024 0.000 0.333 384 F C 1.759 177.555 175.800 -0.007 0.000 1.104 384 F CA -0.511 57.486 58.000 -0.004 0.000 1.149 384 F CB 0.844 39.803 39.000 -0.068 0.000 1.190 384 F HN 0.060 nan 8.300 nan 0.000 0.533 385 N N 0.517 119.318 118.700 0.169 0.000 2.143 385 N HA 0.442 5.197 4.740 0.025 0.000 0.229 385 N C -0.907 174.645 175.510 0.070 0.000 1.294 385 N CA -0.013 53.070 53.050 0.055 0.000 0.883 385 N CB 0.730 39.299 38.487 0.136 0.000 1.148 385 N HN 0.478 nan 8.380 nan 0.000 0.511 386 A N -0.545 122.390 122.820 0.190 0.000 2.594 386 A HA 0.762 5.097 4.320 0.025 0.000 0.295 386 A C -1.806 175.997 177.584 0.366 0.000 1.071 386 A CA -0.703 51.507 52.037 0.289 0.000 0.685 386 A CB 1.822 21.007 19.000 0.308 0.000 1.285 386 A HN 0.194 nan 8.150 nan 0.000 0.405 387 V N 1.265 121.447 119.914 0.447 0.000 2.888 387 V HA 0.767 4.902 4.120 0.025 0.000 0.309 387 V C -0.767 175.467 176.094 0.233 0.000 1.114 387 V CA -0.707 61.816 62.300 0.370 0.000 0.940 387 V CB 1.956 33.903 31.823 0.207 0.000 1.021 387 V HN 1.057 nan 8.190 nan 0.000 0.426 388 R N 4.680 125.152 120.500 -0.047 0.000 2.445 388 R HA 0.457 4.812 4.340 0.025 0.000 0.308 388 R C -0.770 175.383 176.300 -0.244 0.000 0.961 388 R CA -0.526 55.350 56.100 -0.372 0.000 0.862 388 R CB 1.198 30.971 30.300 -0.878 0.000 1.144 388 R HN 0.820 nan 8.270 nan 0.000 0.447 389 C N 4.082 123.279 119.300 -0.173 0.000 2.896 389 C HA 0.088 4.563 4.460 0.025 0.000 0.499 389 C C 0.809 175.518 174.990 -0.468 0.000 1.022 389 C CA -0.476 58.394 59.018 -0.246 0.000 1.127 389 C CB -2.151 25.552 27.740 -0.062 0.000 1.452 389 C HN 0.657 nan 8.230 nan 0.000 0.580 390 S N 1.518 116.825 115.700 -0.654 0.000 2.465 390 S HA 0.178 4.663 4.470 0.025 0.000 0.280 390 S C -0.111 173.664 174.600 -1.375 0.000 1.232 390 S CA 0.158 57.711 58.200 -1.079 0.000 1.066 390 S CB 0.049 62.534 63.200 -1.191 0.000 0.929 390 S HN 0.750 nan 8.310 nan 0.000 0.494 391 H N 3.810 122.228 119.070 -1.087 0.000 2.597 391 H HA 0.299 4.869 4.556 0.025 0.000 0.225 391 H C -1.210 173.959 175.328 -0.266 0.000 1.422 391 H CA -0.329 55.474 56.048 -0.410 0.000 1.335 391 H CB -0.060 29.700 29.762 -0.004 0.000 1.783 391 H HN 0.897 nan 8.280 nan 0.000 0.513 392 Y N -2.827 117.590 120.300 0.194 0.000 2.810 392 Y HA 0.380 4.945 4.550 0.026 0.000 0.355 392 Y C -3.295 172.723 175.900 0.195 0.000 1.211 392 Y CA -2.998 55.221 58.100 0.199 0.000 1.112 392 Y CB -0.133 38.450 38.460 0.205 0.000 1.383 392 Y HN -0.096 nan 8.280 nan 0.000 0.458 393 P HA 0.155 nan 4.420 nan 0.000 0.268 393 P C -0.624 176.999 177.300 0.538 0.000 1.205 393 P CA 0.165 63.547 63.100 0.469 0.000 0.771 393 P CB 0.585 32.480 31.700 0.325 0.000 0.858 394 N N 0.531 119.548 118.700 0.528 0.000 2.447 394 N HA 0.078 4.833 4.740 0.025 0.000 0.271 394 N C 0.180 175.930 175.510 0.400 0.000 1.226 394 N CA -0.564 52.698 53.050 0.353 0.000 0.980 394 N CB 0.358 38.842 38.487 -0.005 0.000 1.206 394 N HN 0.602 nan 8.380 nan 0.000 0.558 395 H N 2.182 121.358 119.070 0.177 0.000 3.064 395 H HA -0.023 4.548 4.556 0.025 0.000 0.329 395 H C -1.570 173.928 175.328 0.283 0.000 1.020 395 H CA -0.540 55.600 56.048 0.154 0.000 1.402 395 H CB 0.950 30.762 29.762 0.084 0.000 1.379 395 H HN 0.432 nan 8.280 nan 0.000 0.594 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.850 179.425 177.300 0.459 0.000 1.151 396 P CA 0.761 64.031 63.100 0.284 0.000 0.849 396 P CB 0.210 31.949 31.700 0.065 0.000 0.787 397 L N -0.852 120.718 121.223 0.578 0.000 2.131 397 L HA -0.075 4.280 4.340 0.025 0.000 0.210 397 L C 2.436 179.505 176.870 0.332 0.000 1.092 397 L CA 1.391 56.479 54.840 0.413 0.000 0.759 397 L CB -1.607 40.667 42.059 0.359 0.000 0.903 397 L HN 0.045 nan 8.230 nan 0.000 0.435 398 W N -0.240 121.138 121.300 0.130 0.000 2.290 398 W HA -0.401 4.274 4.660 0.024 0.000 0.323 398 W C 2.247 178.659 176.519 -0.178 0.000 1.260 398 W CA 2.345 59.623 57.345 -0.112 0.000 1.266 398 W CB -0.523 28.759 29.460 -0.296 0.000 1.149 398 W HN 0.290 nan 8.180 nan 0.000 0.482 399 Y N 0.601 120.819 120.300 -0.138 0.000 2.224 399 Y HA -0.233 4.332 4.550 0.025 0.000 0.289 399 Y C 2.845 178.538 175.900 -0.343 0.000 1.146 399 Y CA 2.116 59.942 58.100 -0.457 0.000 1.182 399 Y CB -1.470 36.442 38.460 -0.914 0.000 0.983 399 Y HN -0.185 nan 8.280 nan 0.000 0.524 400 T N 0.818 115.382 114.554 0.017 0.000 2.720 400 T HA -0.170 4.195 4.350 0.025 0.000 0.268 400 T C 1.995 176.740 174.700 0.074 0.000 1.037 400 T CA 1.511 63.694 62.100 0.139 0.000 1.144 400 T CB -0.538 68.464 68.868 0.224 0.000 0.864 400 T HN 0.248 nan 8.240 nan 0.000 0.444 401 L N 0.311 121.543 121.223 0.016 0.000 2.027 401 L HA -0.098 4.257 4.340 0.025 0.000 0.206 401 L C 2.934 179.810 176.870 0.011 0.000 1.074 401 L CA 1.009 55.894 54.840 0.074 0.000 0.745 401 L CB -0.855 41.228 42.059 0.041 0.000 0.898 401 L HN 0.382 nan 8.230 nan 0.000 0.433 402 C N 0.006 119.139 119.300 -0.279 0.000 2.429 402 C HA -0.150 4.325 4.460 0.025 0.000 0.277 402 C C 2.441 177.478 174.990 0.078 0.000 1.262 402 C CA 0.460 59.341 59.018 -0.228 0.000 1.733 402 C CB -0.834 26.655 27.740 -0.419 0.000 2.010 402 C HN 0.550 nan 8.230 nan 0.000 0.483 403 D N 0.557 121.005 120.400 0.080 0.000 2.117 403 D HA -0.102 4.553 4.640 0.025 0.000 0.197 403 D C 2.351 178.857 176.300 0.344 0.000 0.987 403 D CA 1.173 55.298 54.000 0.208 0.000 0.829 403 D CB -0.397 40.469 40.800 0.111 0.000 0.961 403 D HN 0.588 nan 8.370 nan 0.000 0.460 404 R N -0.701 119.894 120.500 0.157 0.000 2.075 404 R HA -0.003 4.352 4.340 0.025 0.000 0.226 404 R C 2.205 178.459 176.300 -0.077 0.000 1.114 404 R CA 0.600 56.721 56.100 0.035 0.000 0.972 404 R CB -0.359 29.888 30.300 -0.089 0.000 0.869 404 R HN 0.277 nan 8.270 nan 0.000 0.437 405 Y N 0.547 120.861 120.300 0.023 0.000 2.420 405 Y HA 0.120 4.685 4.550 0.025 0.000 0.292 405 Y C 0.998 176.827 175.900 -0.118 0.000 1.119 405 Y CA 0.798 58.883 58.100 -0.024 0.000 1.229 405 Y CB 0.478 38.895 38.460 -0.072 0.000 1.026 405 Y HN 0.289 nan 8.280 nan 0.000 0.554 406 G N 1.307 110.133 108.800 0.043 0.000 2.929 406 G HA2 -0.166 3.810 3.960 0.025 0.000 0.335 406 G HA3 -0.166 3.810 3.960 0.025 0.000 0.335 406 G C -1.195 173.539 174.900 -0.277 0.000 1.054 406 G CA -0.532 44.456 45.100 -0.186 0.000 1.067 406 G HN 0.167 nan 8.290 nan 0.000 0.472 407 L N 1.539 122.666 121.223 -0.160 0.000 2.493 407 L HA 0.438 4.793 4.340 0.025 0.000 0.265 407 L C -0.024 176.811 176.870 -0.057 0.000 0.954 407 L CA -1.230 53.479 54.840 -0.219 0.000 0.844 407 L CB 1.976 43.936 42.059 -0.164 0.000 1.302 407 L HN 0.537 nan 8.230 nan 0.000 0.405 408 Y N 2.051 122.463 120.300 0.186 0.000 2.359 408 Y HA 0.367 4.934 4.550 0.028 0.000 0.330 408 Y C 0.292 176.312 175.900 0.200 0.000 1.143 408 Y CA -0.584 57.666 58.100 0.248 0.000 1.318 408 Y CB 1.159 39.744 38.460 0.208 0.000 1.234 408 Y HN 0.160 nan 8.280 nan 0.000 0.522 409 V N 3.805 123.901 119.914 0.305 0.000 2.680 409 V HA 0.326 4.461 4.120 0.025 0.000 0.309 409 V C -0.637 175.538 176.094 0.135 0.000 1.052 409 V CA -1.057 61.362 62.300 0.198 0.000 0.908 409 V CB 2.004 33.900 31.823 0.121 0.000 1.001 409 V HN 0.459 nan 8.190 nan 0.000 0.431 410 V N 2.940 122.907 119.914 0.089 0.000 2.318 410 V HA 0.303 4.438 4.120 0.025 0.000 0.271 410 V C -0.289 175.839 176.094 0.057 0.000 1.030 410 V CA -0.346 61.954 62.300 0.000 0.000 0.844 410 V CB 1.239 32.956 31.823 -0.176 0.000 1.015 410 V HN 0.873 nan 8.190 nan 0.000 0.460 411 D N 4.266 124.745 120.400 0.132 0.000 2.295 411 D HA 0.297 4.952 4.640 0.025 0.000 0.248 411 D C -0.129 176.366 176.300 0.325 0.000 1.154 411 D CA 0.034 54.214 54.000 0.300 0.000 0.857 411 D CB 1.145 42.170 40.800 0.375 0.000 1.117 411 D HN 0.715 nan 8.370 nan 0.000 0.468 412 E N 2.095 122.450 120.200 0.259 0.000 2.234 412 E HA 0.619 4.984 4.350 0.025 0.000 0.266 412 E C -1.126 175.615 176.600 0.234 0.000 0.877 412 E CA -1.088 55.450 56.400 0.229 0.000 0.758 412 E CB 1.354 31.137 29.700 0.137 0.000 1.170 412 E HN 0.416 nan 8.360 nan 0.000 0.415 413 A N 3.759 126.709 122.820 0.215 0.000 2.483 413 A HA 0.065 4.400 4.320 0.025 0.000 0.238 413 A C 0.321 178.035 177.584 0.217 0.000 1.070 413 A CA -0.181 51.964 52.037 0.180 0.000 0.770 413 A CB 0.098 19.164 19.000 0.111 0.000 1.008 413 A HN 0.710 nan 8.150 nan 0.000 0.497 414 N N 1.463 120.304 118.700 0.235 0.000 3.178 414 N HA 0.233 4.988 4.740 0.025 0.000 0.300 414 N C -0.974 174.673 175.510 0.228 0.000 1.242 414 N CA 0.171 53.398 53.050 0.295 0.000 1.192 414 N CB -0.777 37.887 38.487 0.295 0.000 1.463 414 N HN 0.473 nan 8.380 nan 0.000 0.539 415 I N 0.949 121.644 120.570 0.207 0.000 2.476 415 I HA 0.273 4.459 4.170 0.025 0.000 0.281 415 I C -0.540 175.678 176.117 0.168 0.000 1.040 415 I CA -0.640 60.762 61.300 0.169 0.000 1.094 415 I CB 1.607 39.679 38.000 0.121 0.000 1.219 415 I HN 0.263 nan 8.210 nan 0.000 0.450 416 E N 4.436 124.730 120.200 0.158 0.000 2.317 416 E HA 0.285 4.650 4.350 0.025 0.000 0.270 416 E C -0.411 176.254 176.600 0.107 0.000 0.899 416 E CA -0.421 56.044 56.400 0.109 0.000 0.814 416 E CB 1.514 31.253 29.700 0.066 0.000 1.296 416 E HN 0.615 nan 8.360 nan 0.000 0.404 417 T N 0.776 115.386 114.554 0.094 0.000 3.331 417 T HA 0.142 4.507 4.350 0.025 0.000 0.282 417 T C 0.975 175.724 174.700 0.082 0.000 1.010 417 T CA -0.225 61.953 62.100 0.131 0.000 0.928 417 T CB -0.285 68.648 68.868 0.109 0.000 1.154 417 T HN 0.674 nan 8.240 nan 0.000 0.516 418 H N 1.026 120.017 119.070 -0.132 0.000 2.362 418 H HA -0.128 4.443 4.556 0.026 0.000 0.294 418 H C 2.316 177.523 175.328 -0.202 0.000 1.113 418 H CA 1.496 57.437 56.048 -0.178 0.000 1.253 418 H CB -0.256 29.365 29.762 -0.234 0.000 1.363 418 H HN 0.586 nan 8.280 nan 0.000 0.494 419 G N 0.386 109.047 108.800 -0.231 0.000 2.509 419 G HA2 -0.106 3.869 3.960 0.025 0.000 0.218 419 G HA3 -0.106 3.869 3.960 0.025 0.000 0.218 419 G C 0.603 175.600 174.900 0.162 0.000 1.124 419 G CA 0.039 45.017 45.100 -0.204 0.000 0.776 419 G HN 0.160 nan 8.290 nan 0.000 0.547 420 M N 0.406 120.158 119.600 0.252 0.000 2.240 420 M HA 0.243 4.738 4.480 0.025 0.000 0.317 420 M C -0.318 176.021 176.300 0.065 0.000 1.087 420 M CA -0.051 55.343 55.300 0.157 0.000 1.176 420 M CB 1.146 33.791 32.600 0.076 0.000 1.439 420 M HN -0.193 nan 8.290 nan 0.000 0.452 421 V N 3.973 123.905 119.914 0.031 0.000 2.409 421 V HA 0.362 4.497 4.120 0.025 0.000 0.290 421 V C -1.987 174.103 176.094 -0.006 0.000 1.017 421 V CA -1.326 60.977 62.300 0.006 0.000 0.841 421 V CB 1.635 33.457 31.823 -0.002 0.000 1.003 421 V HN 0.720 nan 8.190 nan 0.000 0.426 422 P HA 0.287 nan 4.420 nan 0.000 0.277 422 P C 1.055 178.359 177.300 0.008 0.000 1.271 422 P CA -0.599 62.501 63.100 -0.001 0.000 0.795 422 P CB 0.997 32.697 31.700 -0.000 0.000 1.101 423 M N 0.683 120.293 119.600 0.016 0.000 2.195 423 M HA -0.189 4.306 4.480 0.025 0.000 0.260 423 M C 1.191 177.512 176.300 0.035 0.000 1.066 423 M CA 1.876 57.195 55.300 0.030 0.000 1.089 423 M CB -0.473 32.135 32.600 0.013 0.000 1.377 423 M HN 0.358 nan 8.290 nan 0.000 0.411 424 N N -0.000 118.720 118.700 0.034 0.000 2.322 424 N HA -0.069 4.686 4.740 0.025 0.000 0.216 424 N C 1.065 176.556 175.510 -0.031 0.000 1.144 424 N CA 0.168 53.238 53.050 0.033 0.000 0.830 424 N CB -0.658 37.862 38.487 0.055 0.000 1.034 424 N HN 0.385 nan 8.380 nan 0.000 0.484 425 R N 0.228 120.695 120.500 -0.054 0.000 2.091 425 R HA 0.011 4.366 4.340 0.025 0.000 0.238 425 R C 1.510 177.706 176.300 -0.174 0.000 1.136 425 R CA 1.377 57.419 56.100 -0.096 0.000 0.959 425 R CB 0.030 30.272 30.300 -0.096 0.000 0.856 425 R HN 0.290 nan 8.270 nan 0.000 0.437 426 L N -0.890 120.169 121.223 -0.273 0.000 2.145 426 L HA -0.003 4.353 4.340 0.025 0.000 0.201 426 L C 2.525 179.252 176.870 -0.238 0.000 1.075 426 L CA 1.255 55.810 54.840 -0.475 0.000 0.773 426 L CB -0.679 40.830 42.059 -0.917 0.000 0.936 426 L HN 0.317 nan 8.230 nan 0.000 0.451 427 T N -3.851 110.591 114.554 -0.188 0.000 2.977 427 T HA -0.199 4.166 4.350 0.025 0.000 0.271 427 T C 1.290 175.898 174.700 -0.153 0.000 1.105 427 T CA 1.475 63.452 62.100 -0.205 0.000 1.116 427 T CB -0.311 68.386 68.868 -0.285 0.000 0.878 427 T HN 0.148 nan 8.240 nan 0.000 0.509 428 D N 0.922 121.265 120.400 -0.096 0.000 2.349 428 D HA 0.093 4.748 4.640 0.025 0.000 0.214 428 D C -0.156 176.122 176.300 -0.036 0.000 1.063 428 D CA -0.173 53.784 54.000 -0.072 0.000 0.847 428 D CB -0.103 40.664 40.800 -0.055 0.000 0.933 428 D HN 0.321 nan 8.370 nan 0.000 0.513 429 D N -0.101 120.292 120.400 -0.012 0.000 2.317 429 D HA 0.111 4.766 4.640 0.025 0.000 0.234 429 D C -1.601 174.756 176.300 0.095 0.000 1.112 429 D CA -2.213 51.824 54.000 0.061 0.000 0.840 429 D CB 1.967 42.854 40.800 0.145 0.000 1.078 429 D HN -0.027 nan 8.370 nan 0.000 0.486 430 P HA -0.149 nan 4.420 nan 0.000 0.218 430 P C 0.992 178.300 177.300 0.012 0.000 1.146 430 P CA 0.911 64.023 63.100 0.021 0.000 0.813 430 P CB 0.320 32.020 31.700 0.001 0.000 0.778 431 R N -1.812 118.703 120.500 0.025 0.000 2.189 431 R HA -0.067 4.288 4.340 0.025 0.000 0.223 431 R C 1.805 177.970 176.300 -0.224 0.000 1.092 431 R CA 1.193 57.230 56.100 -0.105 0.000 0.989 431 R CB -0.564 29.653 30.300 -0.139 0.000 0.876 431 R HN 0.325 nan 8.270 nan 0.000 0.457 432 W N 0.080 121.325 121.300 -0.092 0.000 3.278 432 W HA 0.102 4.776 4.660 0.024 0.000 0.308 432 W C 1.578 178.038 176.519 -0.098 0.000 1.253 432 W CA -0.496 56.794 57.345 -0.092 0.000 1.759 432 W CB 0.096 29.499 29.460 -0.095 0.000 1.093 432 W HN 0.012 nan 8.180 nan 0.000 0.648 433 L N 2.365 123.625 121.223 0.063 0.000 2.013 433 L HA -0.104 4.251 4.340 0.025 0.000 0.212 433 L C -0.727 176.111 176.870 -0.052 0.000 1.073 433 L CA 2.378 57.211 54.840 -0.012 0.000 0.753 433 L CB -1.803 40.238 42.059 -0.031 0.000 0.890 433 L HN -0.222 nan 8.230 nan 0.000 0.432 434 P HA -0.123 nan 4.420 nan 0.000 0.215 434 P C 1.621 178.869 177.300 -0.087 0.000 1.157 434 P CA 2.188 65.228 63.100 -0.100 0.000 0.863 434 P CB -0.268 31.362 31.700 -0.116 0.000 0.787 435 A N -1.150 121.631 122.820 -0.064 0.000 1.972 435 A HA -0.175 4.160 4.320 0.025 0.000 0.219 435 A C 2.202 179.798 177.584 0.020 0.000 1.169 435 A CA 1.776 53.805 52.037 -0.013 0.000 0.635 435 A CB -1.413 17.618 19.000 0.052 0.000 0.810 435 A HN 0.115 nan 8.150 nan 0.000 0.446 436 M N 0.008 119.624 119.600 0.027 0.000 2.099 436 M HA -0.138 4.357 4.480 0.025 0.000 0.262 436 M C 2.579 178.824 176.300 -0.091 0.000 1.067 436 M CA 1.693 56.987 55.300 -0.009 0.000 1.124 436 M CB -0.387 32.186 32.600 -0.044 0.000 1.353 436 M HN 0.639 nan 8.290 nan 0.000 0.410 437 S N 0.591 116.207 115.700 -0.141 0.000 2.374 437 S HA -0.235 4.250 4.470 0.025 0.000 0.227 437 S C 1.647 176.076 174.600 -0.285 0.000 1.037 437 S CA 1.847 59.894 58.200 -0.254 0.000 1.024 437 S CB -0.647 62.384 63.200 -0.283 0.000 0.861 437 S HN 0.533 nan 8.310 nan 0.000 0.456 438 E N 0.846 120.930 120.200 -0.192 0.000 2.153 438 E HA -0.100 4.265 4.350 0.025 0.000 0.194 438 E C 2.483 178.998 176.600 -0.143 0.000 0.988 438 E CA 1.067 57.363 56.400 -0.172 0.000 0.811 438 E CB -0.131 29.502 29.700 -0.112 0.000 0.746 438 E HN 0.575 nan 8.360 nan 0.000 0.466 439 R N -0.080 120.365 120.500 -0.092 0.000 2.115 439 R HA -0.081 4.274 4.340 0.025 0.000 0.230 439 R C 2.209 178.466 176.300 -0.073 0.000 1.111 439 R CA 0.828 56.905 56.100 -0.039 0.000 0.976 439 R CB 0.049 30.364 30.300 0.025 0.000 0.870 439 R HN 0.048 nan 8.270 nan 0.000 0.445 440 V N 0.111 119.933 119.914 -0.152 0.000 2.426 440 V HA -0.158 3.978 4.120 0.025 0.000 0.242 440 V C 2.411 178.327 176.094 -0.296 0.000 1.036 440 V CA 2.013 64.206 62.300 -0.179 0.000 1.044 440 V CB -0.070 31.640 31.823 -0.188 0.000 0.688 440 V HN 0.514 nan 8.190 nan 0.000 0.462 441 T N -0.407 113.848 114.554 -0.498 0.000 2.746 441 T HA -0.246 4.119 4.350 0.025 0.000 0.267 441 T C 1.912 176.447 174.700 -0.276 0.000 1.039 441 T CA 1.413 63.117 62.100 -0.660 0.000 1.142 441 T CB -0.430 67.892 68.868 -0.910 0.000 0.866 441 T HN 0.421 nan 8.240 nan 0.000 0.444 442 R N 0.293 120.658 120.500 -0.225 0.000 2.189 442 R HA 0.235 4.590 4.340 0.025 0.000 0.223 442 R C 2.578 178.792 176.300 -0.144 0.000 1.092 442 R CA 1.161 57.164 56.100 -0.161 0.000 0.989 442 R CB -0.450 29.765 30.300 -0.142 0.000 0.876 442 R HN 0.462 nan 8.270 nan 0.000 0.457 443 M N 0.455 119.973 119.600 -0.136 0.000 2.123 443 M HA -0.114 4.381 4.480 0.025 0.000 0.263 443 M C 1.858 178.047 176.300 -0.184 0.000 1.069 443 M CA 1.519 56.762 55.300 -0.095 0.000 1.133 443 M CB 0.178 32.761 32.600 -0.028 0.000 1.356 443 M HN -0.018 nan 8.290 nan 0.000 0.415 444 V N 1.080 120.768 119.914 -0.376 0.000 2.295 444 V HA -0.302 3.833 4.120 0.025 0.000 0.246 444 V C 2.257 178.201 176.094 -0.250 0.000 1.049 444 V CA 2.029 63.964 62.300 -0.608 0.000 1.024 444 V CB -0.979 30.504 31.823 -0.568 0.000 0.648 444 V HN 0.581 nan 8.190 nan 0.000 0.447 445 Q N -0.579 119.125 119.800 -0.159 0.000 2.124 445 Q HA -0.241 4.114 4.340 0.025 0.000 0.202 445 Q C 2.487 178.385 176.000 -0.169 0.000 0.977 445 Q CA 1.753 57.474 55.803 -0.136 0.000 0.850 445 Q CB -0.225 28.465 28.738 -0.080 0.000 0.901 445 Q HN 0.539 nan 8.270 nan 0.000 0.429 446 R N 0.420 120.815 120.500 -0.176 0.000 2.062 446 R HA -0.104 4.251 4.340 0.025 0.000 0.226 446 R C 0.556 176.775 176.300 -0.136 0.000 1.125 446 R CA 1.437 57.415 56.100 -0.203 0.000 0.966 446 R CB 0.335 30.520 30.300 -0.192 0.000 0.861 446 R HN 0.159 nan 8.270 nan 0.000 0.433 447 D N -0.165 120.212 120.400 -0.038 0.000 2.369 447 D HA 0.001 4.656 4.640 0.025 0.000 0.211 447 D C 1.171 177.585 176.300 0.189 0.000 1.077 447 D CA 0.101 54.141 54.000 0.066 0.000 0.842 447 D CB 0.260 41.044 40.800 -0.027 0.000 0.947 447 D HN 0.383 nan 8.370 nan 0.000 0.509 448 R N 0.528 121.127 120.500 0.166 0.000 2.293 448 R HA 0.020 4.375 4.340 0.025 0.000 0.219 448 R C 0.760 177.044 176.300 -0.027 0.000 1.091 448 R CA 0.754 56.970 56.100 0.193 0.000 1.004 448 R CB -0.294 30.035 30.300 0.048 0.000 0.865 448 R HN -0.052 nan 8.270 nan 0.000 0.469 449 N N 0.389 118.993 118.700 -0.160 0.000 2.353 449 N HA -0.010 4.745 4.740 0.025 0.000 0.185 449 N C -0.385 174.974 175.510 -0.253 0.000 1.098 449 N CA 0.279 53.196 53.050 -0.221 0.000 0.872 449 N CB 0.097 38.426 38.487 -0.262 0.000 0.970 449 N HN 0.318 nan 8.380 nan 0.000 0.467 450 H N 1.525 120.523 119.070 -0.121 0.000 2.742 450 H HA 0.095 4.666 4.556 0.025 0.000 0.302 450 H C -1.198 173.965 175.328 -0.275 0.000 1.069 450 H CA -1.177 54.778 56.048 -0.156 0.000 1.446 450 H CB 1.413 31.116 29.762 -0.098 0.000 1.462 450 H HN 0.048 nan 8.280 nan 0.000 0.499 451 P HA -0.170 nan 4.420 nan 0.000 0.216 451 P C 1.519 178.330 177.300 -0.815 0.000 1.150 451 P CA 1.313 64.033 63.100 -0.634 0.000 0.837 451 P CB 0.229 31.253 31.700 -1.128 0.000 0.786 452 S N -0.828 114.480 115.700 -0.653 0.000 2.419 452 S HA -0.052 4.433 4.470 0.025 0.000 0.233 452 S C 1.108 175.677 174.600 -0.053 0.000 1.016 452 S CA 0.425 58.444 58.200 -0.303 0.000 0.974 452 S CB -1.556 61.633 63.200 -0.017 0.000 0.786 452 S HN -0.061 nan 8.310 nan 0.000 0.492 453 V N 3.685 123.530 119.914 -0.116 0.000 2.446 453 V HA 0.207 4.342 4.120 0.025 0.000 0.276 453 V C 1.110 177.048 176.094 -0.259 0.000 1.030 453 V CA 0.135 62.325 62.300 -0.183 0.000 1.033 453 V CB 0.201 31.824 31.823 -0.333 0.000 0.993 453 V HN 0.640 nan 8.190 nan 0.000 0.477 454 I N 2.556 123.029 120.570 -0.162 0.000 4.312 454 I HA 0.503 4.689 4.170 0.025 0.000 0.324 454 I C 0.411 176.407 176.117 -0.201 0.000 1.298 454 I CA 0.474 61.694 61.300 -0.134 0.000 1.231 454 I CB 0.542 38.554 38.000 0.020 0.000 1.152 454 I HN 0.313 nan 8.210 nan 0.000 0.421 455 I N 0.358 120.796 120.570 -0.219 0.000 2.619 455 I HA 0.368 4.553 4.170 0.025 0.000 0.292 455 I C -1.513 174.515 176.117 -0.148 0.000 1.100 455 I CA -0.395 60.822 61.300 -0.138 0.000 1.043 455 I CB 2.070 40.079 38.000 0.014 0.000 1.239 455 I HN 0.030 nan 8.210 nan 0.000 0.420 456 W N 4.102 125.449 121.300 0.079 0.000 2.438 456 W HA 0.595 5.268 4.660 0.021 0.000 0.324 456 W C 0.391 176.976 176.519 0.110 0.000 1.119 456 W CA -0.621 56.778 57.345 0.089 0.000 1.221 456 W CB 1.661 31.167 29.460 0.078 0.000 1.253 456 W HN 0.300 nan 8.180 nan 0.000 0.555 457 S N 3.053 118.989 115.700 0.393 0.000 2.473 457 S HA 0.380 4.865 4.470 0.025 0.000 0.307 457 S C 0.312 175.085 174.600 0.288 0.000 1.094 457 S CA -0.708 57.671 58.200 0.298 0.000 1.070 457 S CB 0.803 64.131 63.200 0.215 0.000 1.019 457 S HN 0.602 nan 8.310 nan 0.000 0.480 458 L N 4.197 125.590 121.223 0.284 0.000 2.610 458 L HA 0.302 4.657 4.340 0.025 0.000 0.232 458 L C 1.387 178.333 176.870 0.127 0.000 1.149 458 L CA 0.606 55.540 54.840 0.157 0.000 0.872 458 L CB -1.064 40.993 42.059 -0.003 0.000 0.992 458 L HN 1.022 nan 8.230 nan 0.000 0.447 459 G N -0.037 108.917 108.800 0.257 0.000 2.318 459 G HA2 -0.150 3.825 3.960 0.025 0.000 0.367 459 G HA3 -0.150 3.825 3.960 0.025 0.000 0.367 459 G C -1.554 173.565 174.900 0.365 0.000 1.260 459 G CA -0.585 44.669 45.100 0.258 0.000 1.055 459 G HN 0.169 nan 8.290 nan 0.000 0.484 460 N N 0.128 118.988 118.700 0.266 0.000 2.277 460 N HA 0.487 5.242 4.740 0.025 0.000 0.286 460 N C -0.445 175.064 175.510 -0.001 0.000 1.140 460 N CA 0.010 53.102 53.050 0.071 0.000 0.799 460 N CB 1.609 39.894 38.487 -0.336 0.000 1.596 460 N HN 0.868 nan 8.380 nan 0.000 0.473 461 E N 0.675 120.779 120.200 -0.159 0.000 2.024 461 E HA -0.184 4.181 4.350 0.025 0.000 0.163 461 E C -0.799 175.733 176.600 -0.114 0.000 1.490 461 E CA 0.740 56.958 56.400 -0.304 0.000 0.586 461 E CB -1.173 28.075 29.700 -0.754 0.000 1.041 461 E HN 0.421 nan 8.360 nan 0.000 0.296 462 S N 0.352 116.120 115.700 0.113 0.000 3.021 462 S HA 0.384 4.869 4.470 0.025 0.000 0.252 462 S C 0.676 175.432 174.600 0.261 0.000 0.996 462 S CA -0.227 58.090 58.200 0.196 0.000 1.084 462 S CB 1.378 64.753 63.200 0.292 0.000 1.021 462 S HN 0.881 nan 8.310 nan 0.000 0.566 463 G N 2.104 110.997 108.800 0.155 0.000 2.578 463 G HA2 -0.273 3.702 3.960 0.025 0.000 0.275 463 G HA3 -0.273 3.702 3.960 0.025 0.000 0.275 463 G C -0.459 174.635 174.900 0.322 0.000 1.271 463 G CA 0.111 45.304 45.100 0.155 0.000 0.941 463 G HN 0.667 nan 8.290 nan 0.000 0.564 464 H N 0.480 119.668 119.070 0.197 0.000 2.823 464 H HA 0.571 5.143 4.556 0.026 0.000 0.332 464 H C 0.258 175.751 175.328 0.275 0.000 0.980 464 H CA -0.044 56.161 56.048 0.262 0.000 1.286 464 H CB 0.780 30.633 29.762 0.151 0.000 1.541 464 H HN 1.077 nan 8.280 nan 0.000 0.521 465 G N 1.475 110.323 108.800 0.080 0.000 2.600 465 G HA2 0.458 4.433 3.960 0.025 0.000 0.303 465 G HA3 0.458 4.433 3.960 0.025 0.000 0.303 465 G C 0.599 175.344 174.900 -0.258 0.000 1.253 465 G CA -0.161 44.829 45.100 -0.182 0.000 0.974 465 G HN 0.677 nan 8.290 nan 0.000 0.483 466 A N 0.385 123.099 122.820 -0.176 0.000 1.940 466 A HA -0.126 4.209 4.320 0.025 0.000 0.219 466 A C 2.166 179.728 177.584 -0.037 0.000 1.176 466 A CA 2.090 54.078 52.037 -0.083 0.000 0.631 466 A CB -0.521 18.452 19.000 -0.044 0.000 0.814 466 A HN 0.545 nan 8.150 nan 0.000 0.446 467 N N -0.351 118.291 118.700 -0.097 0.000 2.205 467 N HA -0.159 4.596 4.740 0.025 0.000 0.186 467 N C 1.391 176.842 175.510 -0.098 0.000 1.015 467 N CA 1.793 54.772 53.050 -0.119 0.000 0.862 467 N CB -0.667 37.700 38.487 -0.199 0.000 0.986 467 N HN 0.800 nan 8.380 nan 0.000 0.429 468 H N -0.065 118.992 119.070 -0.023 0.000 2.389 468 H HA -0.001 4.570 4.556 0.025 0.000 0.299 468 H C 1.251 176.665 175.328 0.143 0.000 1.081 468 H CA 1.107 57.160 56.048 0.007 0.000 1.345 468 H CB 0.175 29.948 29.762 0.019 0.000 1.393 468 H HN 0.163 nan 8.280 nan 0.000 0.520 469 D N 0.386 120.961 120.400 0.291 0.000 2.097 469 D HA -0.123 4.532 4.640 0.025 0.000 0.195 469 D C 2.325 178.782 176.300 0.262 0.000 0.989 469 D CA 1.174 55.341 54.000 0.278 0.000 0.827 469 D CB -0.416 40.515 40.800 0.219 0.000 0.966 469 D HN 0.407 nan 8.370 nan 0.000 0.456 470 A N 0.876 123.797 122.820 0.169 0.000 1.865 470 A HA -0.146 4.189 4.320 0.025 0.000 0.217 470 A C 2.422 180.116 177.584 0.182 0.000 1.191 470 A CA 1.090 53.214 52.037 0.145 0.000 0.623 470 A CB -0.856 18.187 19.000 0.071 0.000 0.826 470 A HN 0.219 nan 8.150 nan 0.000 0.444 471 L N -2.074 119.239 121.223 0.150 0.000 2.156 471 L HA -0.144 4.211 4.340 0.025 0.000 0.208 471 L C 2.559 179.570 176.870 0.236 0.000 1.095 471 L CA 1.424 56.352 54.840 0.148 0.000 0.770 471 L CB -0.644 41.432 42.059 0.028 0.000 0.914 471 L HN 0.630 nan 8.230 nan 0.000 0.439 472 Y N 1.422 121.815 120.300 0.154 0.000 2.081 472 Y HA -0.367 4.194 4.550 0.019 0.000 0.280 472 Y C 2.835 178.827 175.900 0.153 0.000 1.163 472 Y CA 2.015 60.209 58.100 0.157 0.000 1.135 472 Y CB -0.236 38.317 38.460 0.156 0.000 0.970 472 Y HN -0.025 nan 8.280 nan 0.000 0.498 473 R N -0.226 120.369 120.500 0.158 0.000 2.091 473 R HA -0.233 4.122 4.340 0.025 0.000 0.238 473 R C 2.112 178.431 176.300 0.032 0.000 1.136 473 R CA 2.132 58.274 56.100 0.071 0.000 0.959 473 R CB -1.465 28.954 30.300 0.199 0.000 0.856 473 R HN 0.657 nan 8.270 nan 0.000 0.437 474 W N 0.537 121.800 121.300 -0.063 0.000 2.335 474 W HA -0.141 4.534 4.660 0.025 0.000 0.311 474 W C 1.648 178.083 176.519 -0.139 0.000 1.213 474 W CA 1.953 59.248 57.345 -0.084 0.000 1.274 474 W CB -0.267 29.146 29.460 -0.078 0.000 1.148 474 W HN 0.102 nan 8.180 nan 0.000 0.498 475 I N 0.855 121.447 120.570 0.038 0.000 2.226 475 I HA -0.337 3.848 4.170 0.025 0.000 0.245 475 I C 2.396 178.318 176.117 -0.325 0.000 1.100 475 I CA 1.323 62.481 61.300 -0.237 0.000 1.374 475 I CB -0.748 37.193 38.000 -0.099 0.000 1.057 475 I HN -0.124 nan 8.210 nan 0.000 0.413 476 K N 0.323 120.543 120.400 -0.300 0.000 2.211 476 K HA -0.162 4.173 4.320 0.025 0.000 0.204 476 K C 2.242 178.714 176.600 -0.213 0.000 1.047 476 K CA 1.252 57.383 56.287 -0.260 0.000 0.935 476 K CB -0.456 31.850 32.500 -0.322 0.000 0.728 476 K HN 0.245 nan 8.250 nan 0.000 0.452 477 S N 0.667 116.201 115.700 -0.277 0.000 2.348 477 S HA -0.076 4.409 4.470 0.025 0.000 0.219 477 S C 1.969 176.369 174.600 -0.334 0.000 1.033 477 S CA 1.107 59.145 58.200 -0.270 0.000 0.974 477 S CB -0.077 62.949 63.200 -0.289 0.000 0.868 477 S HN 0.180 nan 8.310 nan 0.000 0.459 478 V N -0.373 119.204 119.914 -0.562 0.000 2.951 478 V HA 0.237 4.372 4.120 0.025 0.000 0.255 478 V C 0.208 176.083 176.094 -0.365 0.000 1.088 478 V CA 1.588 63.550 62.300 -0.564 0.000 1.109 478 V CB -0.247 30.989 31.823 -0.979 0.000 0.724 478 V HN 0.475 nan 8.190 nan 0.000 0.471 479 D N 0.436 120.668 120.400 -0.281 0.000 2.472 479 D HA 0.358 5.013 4.640 0.025 0.000 0.248 479 D C -2.057 174.238 176.300 -0.008 0.000 1.271 479 D CA -1.663 52.280 54.000 -0.096 0.000 0.888 479 D CB 1.531 42.357 40.800 0.043 0.000 1.337 479 D HN 0.204 nan 8.370 nan 0.000 0.526 480 P HA -0.064 nan 4.420 nan 0.000 0.234 480 P C 1.122 178.440 177.300 0.029 0.000 1.167 480 P CA 0.484 63.578 63.100 -0.010 0.000 0.763 480 P CB 0.042 31.730 31.700 -0.020 0.000 0.835 481 S N -1.263 114.462 115.700 0.042 0.000 2.555 481 S HA 0.019 4.504 4.470 0.025 0.000 0.230 481 S C 0.876 175.493 174.600 0.030 0.000 0.978 481 S CA -0.031 58.194 58.200 0.042 0.000 0.934 481 S CB -0.426 62.791 63.200 0.028 0.000 0.766 481 S HN 0.122 nan 8.310 nan 0.000 0.533 482 R N 0.730 121.260 120.500 0.050 0.000 2.651 482 R HA 0.534 4.889 4.340 0.025 0.000 0.278 482 R C -3.314 173.028 176.300 0.069 0.000 1.010 482 R CA -2.209 53.887 56.100 -0.007 0.000 0.896 482 R CB 1.401 31.575 30.300 -0.210 0.000 1.211 482 R HN 0.111 nan 8.270 nan 0.000 0.456 483 P HA 0.147 nan 4.420 nan 0.000 0.274 483 P C -0.827 176.571 177.300 0.164 0.000 1.237 483 P CA -0.450 62.709 63.100 0.097 0.000 0.793 483 P CB 0.718 32.461 31.700 0.073 0.000 0.977 484 V N 2.192 122.232 119.914 0.209 0.000 2.495 484 V HA 0.410 4.545 4.120 0.025 0.000 0.298 484 V C 0.136 176.414 176.094 0.308 0.000 1.031 484 V CA -0.312 62.161 62.300 0.288 0.000 0.871 484 V CB 1.223 33.197 31.823 0.252 0.000 0.988 484 V HN 0.609 nan 8.190 nan 0.000 0.432 485 Q N 4.067 124.030 119.800 0.271 0.000 2.399 485 Q HA 0.800 5.155 4.340 0.025 0.000 0.276 485 Q C -1.809 174.352 176.000 0.269 0.000 1.098 485 Q CA -0.869 55.061 55.803 0.211 0.000 0.827 485 Q CB 2.887 31.699 28.738 0.123 0.000 1.386 485 Q HN 0.662 nan 8.270 nan 0.000 0.443 486 Y N 0.472 120.789 120.300 0.029 0.000 2.376 486 Y HA 0.165 4.728 4.550 0.022 0.000 0.321 486 Y C -0.556 175.293 175.900 -0.085 0.000 1.189 486 Y CA -0.702 57.384 58.100 -0.024 0.000 1.069 486 Y CB 2.098 40.539 38.460 -0.032 0.000 1.292 486 Y HN 0.952 nan 8.280 nan 0.000 0.430 487 E N 3.506 123.193 120.200 -0.855 0.000 2.318 487 E HA 0.140 4.505 4.350 0.025 0.000 0.193 487 E C 0.663 176.823 176.600 -0.732 0.000 0.998 487 E CA 0.727 56.752 56.400 -0.625 0.000 0.859 487 E CB 0.235 29.713 29.700 -0.371 0.000 0.812 487 E HN 0.892 nan 8.360 nan 0.000 0.492 488 G N 0.005 107.955 108.800 -1.418 0.000 2.562 488 G HA2 0.211 4.186 3.960 0.025 0.000 0.233 488 G HA3 0.211 4.186 3.960 0.025 0.000 0.233 488 G C 0.811 175.581 174.900 -0.216 0.000 1.266 488 G CA 0.333 45.044 45.100 -0.649 0.000 0.852 488 G HN 0.371 nan 8.290 nan 0.000 0.581 489 G N -0.574 108.197 108.800 -0.048 0.000 2.198 489 G HA2 0.232 4.207 3.960 0.025 0.000 0.260 489 G HA3 0.232 4.207 3.960 0.025 0.000 0.260 489 G C 1.253 176.168 174.900 0.025 0.000 1.025 489 G CA 1.030 46.166 45.100 0.060 0.000 0.769 489 G HN 2.613 nan 8.290 nan 0.000 0.507 490 G N -1.720 107.083 108.800 0.006 0.000 2.227 490 G HA2 0.426 4.401 3.960 0.025 0.000 0.168 490 G HA3 0.426 4.401 3.960 0.025 0.000 0.168 490 G C 1.128 176.142 174.900 0.190 0.000 1.006 490 G CA 1.265 46.428 45.100 0.105 0.000 0.684 490 G HN 2.312 nan 8.290 nan 0.000 0.489 491 A N -0.087 122.729 122.820 -0.007 0.000 3.420 491 A HA -0.138 4.197 4.320 0.025 0.000 0.269 491 A C 1.123 178.631 177.584 -0.126 0.000 1.122 491 A CA 2.720 54.688 52.037 -0.116 0.000 1.023 491 A CB -1.734 17.174 19.000 -0.154 0.000 1.099 491 A HN 2.109 nan 8.150 nan 0.000 0.860 492 D N -1.285 119.126 120.400 0.017 0.000 2.785 492 D HA 0.290 4.945 4.640 0.025 0.000 0.324 492 D C 0.374 176.668 176.300 -0.010 0.000 1.523 492 D CA 0.804 54.816 54.000 0.021 0.000 0.789 492 D CB -1.191 39.748 40.800 0.232 0.000 1.171 492 D HN 0.802 nan 8.370 nan 0.000 0.447 493 T N -2.323 112.156 114.554 -0.124 0.000 2.689 493 T HA 0.201 4.566 4.350 0.025 0.000 0.308 493 T C 1.613 176.170 174.700 -0.237 0.000 1.021 493 T CA 0.529 62.487 62.100 -0.235 0.000 0.973 493 T CB 0.707 69.210 68.868 -0.609 0.000 1.113 493 T HN 0.081 nan 8.240 nan 0.000 0.522 494 T N -2.719 111.683 114.554 -0.252 0.000 3.163 494 T HA 0.229 4.594 4.350 0.025 0.000 0.260 494 T C 1.497 175.925 174.700 -0.452 0.000 1.156 494 T CA 0.253 62.213 62.100 -0.234 0.000 1.072 494 T CB -0.530 68.283 68.868 -0.091 0.000 0.937 494 T HN 0.825 nan 8.240 nan 0.000 0.528 495 A N 0.379 122.961 122.820 -0.397 0.000 2.415 495 A HA 0.508 4.843 4.320 0.025 0.000 0.248 495 A C 0.799 178.249 177.584 -0.223 0.000 1.299 495 A CA -0.331 51.482 52.037 -0.372 0.000 0.899 495 A CB 0.040 19.084 19.000 0.073 0.000 0.997 495 A HN 0.419 nan 8.150 nan 0.000 0.506 496 T N -1.167 113.220 114.554 -0.278 0.000 2.921 496 T HA 0.351 4.716 4.350 0.025 0.000 0.297 496 T C -0.488 174.220 174.700 0.012 0.000 1.013 496 T CA -0.458 61.628 62.100 -0.023 0.000 0.990 496 T CB 1.170 70.025 68.868 -0.022 0.000 1.023 496 T HN 0.122 nan 8.240 nan 0.000 0.447 497 D N 2.909 123.406 120.400 0.162 0.000 2.323 497 D HA 0.221 4.876 4.640 0.025 0.000 0.209 497 D C 0.415 176.743 176.300 0.046 0.000 0.973 497 D CA 0.783 54.863 54.000 0.134 0.000 0.874 497 D CB 0.433 41.342 40.800 0.182 0.000 0.930 497 D HN 0.530 nan 8.370 nan 0.000 0.521 498 I N 0.955 121.533 120.570 0.014 0.000 2.509 498 I HA 0.246 4.431 4.170 0.025 0.000 0.293 498 I C -0.106 175.937 176.117 -0.124 0.000 1.020 498 I CA -0.873 60.399 61.300 -0.047 0.000 1.088 498 I CB 2.753 40.739 38.000 -0.024 0.000 1.267 498 I HN -0.345 nan 8.210 nan 0.000 0.430 499 I N 5.792 126.238 120.570 -0.207 0.000 2.494 499 I HA 0.043 4.228 4.170 0.025 0.000 0.289 499 I C 0.092 175.990 176.117 -0.365 0.000 1.106 499 I CA 0.023 61.098 61.300 -0.376 0.000 1.369 499 I CB 0.079 37.745 38.000 -0.557 0.000 1.410 499 I HN 0.677 nan 8.210 nan 0.000 0.523 500 C N 5.679 124.788 119.300 -0.319 0.000 3.276 500 C HA 0.471 4.946 4.460 0.025 0.000 0.226 500 C C -2.103 172.755 174.990 -0.221 0.000 1.502 500 C CA -2.309 56.577 59.018 -0.220 0.000 1.488 500 C CB -1.079 26.589 27.740 -0.120 0.000 2.014 500 C HN 0.412 nan 8.230 nan 0.000 0.492 501 P HA 0.349 nan 4.420 nan 0.000 0.273 501 P C -0.478 176.776 177.300 -0.078 0.000 1.250 501 P CA 0.162 63.171 63.100 -0.150 0.000 0.793 501 P CB 0.720 32.363 31.700 -0.095 0.000 1.011 502 M N -0.433 119.152 119.600 -0.025 0.000 2.253 502 M HA 0.464 4.959 4.480 0.025 0.000 0.314 502 M C -0.872 175.440 176.300 0.021 0.000 1.019 502 M CA -0.671 54.528 55.300 -0.169 0.000 0.932 502 M CB 1.320 33.832 32.600 -0.146 0.000 1.606 502 M HN 0.304 nan 8.290 nan 0.000 0.430 503 Y N -0.209 120.259 120.300 0.281 0.000 4.177 503 Y HA -0.215 4.351 4.550 0.026 0.000 0.227 503 Y C 0.443 176.519 175.900 0.294 0.000 1.154 503 Y CA 0.472 58.740 58.100 0.281 0.000 1.887 503 Y CB -2.410 36.168 38.460 0.196 0.000 1.594 503 Y HN 0.973 nan 8.280 nan 0.000 0.668 504 A N 1.234 124.268 122.820 0.358 0.000 2.450 504 A HA 0.525 4.860 4.320 0.025 0.000 0.255 504 A C 0.768 178.580 177.584 0.381 0.000 1.096 504 A CA -0.511 51.746 52.037 0.367 0.000 0.778 504 A CB 0.335 19.586 19.000 0.420 0.000 1.031 504 A HN 0.417 nan 8.150 nan 0.000 0.494 505 R N 1.778 122.434 120.500 0.260 0.000 2.637 505 R HA 0.260 4.615 4.340 0.025 0.000 0.269 505 R C 1.013 177.300 176.300 -0.022 0.000 1.089 505 R CA -0.616 55.564 56.100 0.133 0.000 1.177 505 R CB 0.449 30.795 30.300 0.077 0.000 1.091 505 R HN 0.498 nan 8.270 nan 0.000 0.540 506 V N 0.868 120.612 119.914 -0.283 0.000 2.244 506 V HA -0.220 3.915 4.120 0.025 0.000 0.244 506 V C 1.081 177.072 176.094 -0.173 0.000 1.042 506 V CA 1.901 63.991 62.300 -0.349 0.000 1.006 506 V CB -0.269 31.223 31.823 -0.551 0.000 0.641 506 V HN 0.750 nan 8.190 nan 0.000 0.446 507 D N -1.345 118.982 120.400 -0.122 0.000 2.423 507 D HA 0.084 4.740 4.640 0.025 0.000 0.212 507 D C 0.990 177.278 176.300 -0.019 0.000 1.060 507 D CA 0.086 54.048 54.000 -0.064 0.000 0.872 507 D CB 0.499 41.265 40.800 -0.056 0.000 1.012 507 D HN 0.505 nan 8.370 nan 0.000 0.503 508 E N 2.135 122.328 120.200 -0.012 0.000 2.194 508 E HA 0.080 4.445 4.350 0.025 0.000 0.284 508 E C -0.725 175.884 176.600 0.015 0.000 1.035 508 E CA -0.571 55.831 56.400 0.004 0.000 0.836 508 E CB 0.831 30.533 29.700 0.003 0.000 1.070 508 E HN -0.120 nan 8.360 nan 0.000 0.401 509 D N 3.979 124.389 120.400 0.017 0.000 2.313 509 D HA 0.109 4.764 4.640 0.025 0.000 0.247 509 D C -0.446 175.762 176.300 -0.154 0.000 1.094 509 D CA 0.107 54.110 54.000 0.005 0.000 0.925 509 D CB 1.154 42.035 40.800 0.134 0.000 1.188 509 D HN 0.468 nan 8.370 nan 0.000 0.430 510 Q N 0.929 120.522 119.800 -0.345 0.000 2.771 510 Q HA 0.238 4.593 4.340 0.025 0.000 0.247 510 Q C -2.254 173.147 176.000 -0.999 0.000 0.986 510 Q CA -1.553 53.844 55.803 -0.676 0.000 0.713 510 Q CB 2.184 30.499 28.738 -0.704 0.000 1.241 510 Q HN 0.106 nan 8.270 nan 0.000 0.488 511 P HA -0.045 nan 4.420 nan 0.000 0.232 511 P C -0.671 176.311 177.300 -0.530 0.000 1.738 511 P CA 0.096 62.805 63.100 -0.651 0.000 0.948 511 P CB -0.699 30.826 31.700 -0.292 0.000 1.943 512 F N 1.411 121.199 119.950 -0.271 0.000 2.595 512 F HA 0.110 4.651 4.527 0.024 0.000 0.359 512 F C -1.294 174.401 175.800 -0.176 0.000 1.147 512 F CA -2.098 55.796 58.000 -0.177 0.000 1.341 512 F CB -0.768 38.150 39.000 -0.138 0.000 1.104 512 F HN 0.034 nan 8.300 nan 0.000 0.603 513 P HA 0.235 nan 4.420 nan 0.000 0.275 513 P C 0.213 177.533 177.300 0.034 0.000 1.227 513 P CA 0.855 63.974 63.100 0.032 0.000 0.781 513 P CB 1.478 33.198 31.700 0.034 0.000 0.906 514 A N 2.952 125.784 122.820 0.019 0.000 2.624 514 A HA -0.233 4.102 4.320 0.025 0.000 0.235 514 A C 0.690 178.287 177.584 0.020 0.000 0.588 514 A CA 1.910 53.963 52.037 0.026 0.000 1.172 514 A CB -2.668 16.348 19.000 0.026 0.000 1.370 514 A HN 0.679 nan 8.150 nan 0.000 0.695 515 V N -2.882 117.039 119.914 0.012 0.000 2.468 515 V HA 0.572 4.707 4.120 0.025 0.000 0.256 515 V C -2.261 173.821 176.094 -0.020 0.000 0.998 515 V CA -1.263 61.042 62.300 0.008 0.000 1.114 515 V CB 0.581 32.415 31.823 0.018 0.000 1.378 515 V HN 0.530 nan 8.190 nan 0.000 0.573 516 P HA 0.234 nan 4.420 nan 0.000 0.270 516 P C -0.662 176.223 177.300 -0.691 0.000 1.223 516 P CA 0.230 62.954 63.100 -0.625 0.000 0.785 516 P CB 0.841 31.742 31.700 -1.331 0.000 0.923 517 K N 2.030 122.067 120.400 -0.605 0.000 2.473 517 K HA 0.245 4.580 4.320 0.025 0.000 0.246 517 K C -0.495 175.812 176.600 -0.487 0.000 1.011 517 K CA -0.297 55.819 56.287 -0.285 0.000 0.984 517 K CB 0.536 33.152 32.500 0.194 0.000 1.250 517 K HN 0.459 nan 8.250 nan 0.000 0.454 518 W N 1.331 122.371 121.300 -0.433 0.000 2.129 518 W HA 0.097 4.772 4.660 0.025 0.000 0.349 518 W C 1.303 177.842 176.519 0.034 0.000 1.279 518 W CA -0.602 56.568 57.345 -0.291 0.000 1.306 518 W CB 0.491 29.606 29.460 -0.574 0.000 1.140 518 W HN 0.391 nan 8.180 nan 0.000 0.613 519 S N 2.716 118.587 115.700 0.284 0.000 2.558 519 S HA -0.072 4.413 4.470 0.025 0.000 0.288 519 S C 1.232 175.990 174.600 0.265 0.000 1.318 519 S CA -0.136 58.174 58.200 0.184 0.000 1.056 519 S CB 0.159 63.410 63.200 0.086 0.000 0.853 519 S HN 0.527 nan 8.310 nan 0.000 0.505 520 I N 1.909 122.598 120.570 0.198 0.000 2.208 520 I HA -0.191 3.994 4.170 0.025 0.000 0.245 520 I C 2.082 178.225 176.117 0.043 0.000 1.097 520 I CA 1.514 62.920 61.300 0.177 0.000 1.363 520 I CB -0.502 37.556 38.000 0.095 0.000 1.051 520 I HN 0.604 nan 8.210 nan 0.000 0.413 521 K N 1.266 121.585 120.400 -0.136 0.000 2.148 521 K HA -0.158 4.177 4.320 0.025 0.000 0.204 521 K C 2.281 178.863 176.600 -0.031 0.000 1.050 521 K CA 1.642 57.747 56.287 -0.302 0.000 0.942 521 K CB -0.154 32.085 32.500 -0.435 0.000 0.724 521 K HN 0.413 nan 8.250 nan 0.000 0.446 522 K N -0.017 120.400 120.400 0.030 0.000 2.031 522 K HA -0.165 4.170 4.320 0.025 0.000 0.205 522 K C 1.882 178.523 176.600 0.068 0.000 1.049 522 K CA 0.931 57.231 56.287 0.023 0.000 0.939 522 K CB -0.136 32.353 32.500 -0.019 0.000 0.717 522 K HN 0.186 nan 8.250 nan 0.000 0.438 523 W N 2.206 123.496 121.300 -0.017 0.000 2.325 523 W HA -0.205 4.466 4.660 0.018 0.000 0.299 523 W C 1.556 178.058 176.519 -0.029 0.000 1.215 523 W CA 1.175 58.519 57.345 -0.002 0.000 1.244 523 W CB -0.537 29.005 29.460 0.137 0.000 1.140 523 W HN 0.140 nan 8.180 nan 0.000 0.523 524 L N 0.656 122.036 121.223 0.262 0.000 2.079 524 L HA -0.230 4.126 4.340 0.025 0.000 0.210 524 L C 2.172 179.110 176.870 0.114 0.000 1.081 524 L CA 2.014 56.941 54.840 0.146 0.000 0.752 524 L CB -0.955 41.174 42.059 0.117 0.000 0.896 524 L HN -0.021 nan 8.230 nan 0.000 0.433 525 S N -1.291 114.462 115.700 0.088 0.000 2.583 525 S HA 0.267 4.752 4.470 0.025 0.000 0.239 525 S C 0.459 175.053 174.600 -0.010 0.000 0.966 525 S CA -0.533 57.691 58.200 0.040 0.000 0.973 525 S CB -0.423 62.801 63.200 0.040 0.000 0.794 525 S HN 0.133 nan 8.310 nan 0.000 0.463 526 L N 2.209 123.420 121.223 -0.021 0.000 2.483 526 L HA 0.248 4.603 4.340 0.025 0.000 0.276 526 L C -2.156 174.686 176.870 -0.047 0.000 1.213 526 L CA -1.842 52.935 54.840 -0.104 0.000 0.843 526 L CB -0.134 41.843 42.059 -0.137 0.000 1.107 526 L HN 0.059 nan 8.230 nan 0.000 0.487 527 P HA -0.076 nan 4.420 nan 0.000 0.257 527 P C 0.769 178.064 177.300 -0.009 0.000 1.162 527 P CA 1.104 64.182 63.100 -0.036 0.000 0.762 527 P CB 0.331 32.004 31.700 -0.046 0.000 0.753 528 G N 1.782 110.582 108.800 0.001 0.000 2.212 528 G HA2 -0.303 3.672 3.960 0.025 0.000 0.266 528 G HA3 -0.303 3.672 3.960 0.025 0.000 0.266 528 G C 0.278 175.194 174.900 0.026 0.000 0.978 528 G CA 0.302 45.410 45.100 0.013 0.000 0.632 528 G HN 0.645 nan 8.290 nan 0.000 0.537 529 E N 0.979 121.201 120.200 0.036 0.000 2.360 529 E HA 0.562 4.927 4.350 0.025 0.000 0.269 529 E C 1.337 177.962 176.600 0.041 0.000 1.022 529 E CA 0.790 57.224 56.400 0.058 0.000 0.887 529 E CB 0.730 30.494 29.700 0.107 0.000 0.990 529 E HN 0.610 nan 8.360 nan 0.000 0.426 530 T N 0.704 115.277 114.554 0.033 0.000 3.186 530 T HA 0.301 4.666 4.350 0.025 0.000 0.292 530 T C 0.496 175.201 174.700 0.009 0.000 0.915 530 T CA -0.481 61.631 62.100 0.021 0.000 0.902 530 T CB 0.029 68.908 68.868 0.019 0.000 1.192 530 T HN 0.284 nan 8.240 nan 0.000 0.563 531 R N 2.408 122.908 120.500 -0.001 0.000 2.707 531 R HA 0.429 4.784 4.340 0.025 0.000 0.270 531 R C -2.433 173.841 176.300 -0.045 0.000 1.083 531 R CA -1.607 54.481 56.100 -0.021 0.000 1.182 531 R CB 0.097 30.375 30.300 -0.036 0.000 1.084 531 R HN 0.279 nan 8.270 nan 0.000 0.528 532 P HA 0.109 nan 4.420 nan 0.000 0.276 532 P C -1.067 176.154 177.300 -0.131 0.000 1.252 532 P CA -0.184 62.867 63.100 -0.082 0.000 0.802 532 P CB 0.727 32.378 31.700 -0.081 0.000 1.035 533 L N 1.870 122.994 121.223 -0.165 0.000 2.376 533 L HA 0.558 4.913 4.340 0.025 0.000 0.275 533 L C -1.031 175.686 176.870 -0.256 0.000 0.987 533 L CA -0.656 54.050 54.840 -0.225 0.000 0.828 533 L CB 0.680 42.597 42.059 -0.236 0.000 1.249 533 L HN 0.219 nan 8.230 nan 0.000 0.409 534 I N 5.681 126.110 120.570 -0.234 0.000 2.468 534 I HA 0.285 4.470 4.170 0.025 0.000 0.285 534 I C -0.733 175.288 176.117 -0.160 0.000 1.039 534 I CA -0.538 60.614 61.300 -0.247 0.000 1.074 534 I CB 1.894 39.800 38.000 -0.157 0.000 1.228 534 I HN 0.452 nan 8.210 nan 0.000 0.436 535 L N 5.464 126.561 121.223 -0.210 0.000 2.410 535 L HA 0.078 4.433 4.340 0.025 0.000 0.273 535 L C 1.454 178.401 176.870 0.128 0.000 1.152 535 L CA -0.206 54.582 54.840 -0.087 0.000 0.855 535 L CB 0.734 42.716 42.059 -0.129 0.000 1.129 535 L HN 0.862 nan 8.230 nan 0.000 0.463 536 C N -0.076 119.283 119.300 0.098 0.000 2.464 536 C HA 0.162 4.637 4.460 0.025 0.000 0.278 536 C C 0.635 175.774 174.990 0.248 0.000 1.375 536 C CA -0.192 58.929 59.018 0.172 0.000 1.761 536 C CB -1.098 26.659 27.740 0.029 0.000 1.944 536 C HN 0.839 nan 8.230 nan 0.000 0.509 537 E N -0.973 119.291 120.200 0.107 0.000 2.335 537 E HA 0.642 5.007 4.350 0.025 0.000 0.280 537 E C -1.269 175.252 176.600 -0.131 0.000 0.918 537 E CA -0.434 56.003 56.400 0.063 0.000 0.765 537 E CB 2.061 31.614 29.700 -0.245 0.000 1.218 537 E HN 0.645 nan 8.360 nan 0.000 0.425 538 Y N -1.032 119.228 120.300 -0.067 0.000 2.713 538 Y HA 0.600 5.166 4.550 0.027 0.000 0.335 538 Y C -0.777 175.305 175.900 0.304 0.000 1.222 538 Y CA -0.808 57.284 58.100 -0.012 0.000 1.061 538 Y CB 0.781 39.079 38.460 -0.270 0.000 1.314 538 Y HN 0.696 nan 8.280 nan 0.000 0.453 539 A N 1.832 124.700 122.820 0.081 0.000 2.416 539 A HA -0.275 4.060 4.320 0.025 0.000 0.293 539 A C -0.276 177.433 177.584 0.209 0.000 1.452 539 A CA 1.110 53.191 52.037 0.072 0.000 0.738 539 A CB -2.547 16.383 19.000 -0.118 0.000 1.123 539 A HN 1.100 nan 8.150 nan 0.000 0.389 540 H N 0.435 119.673 119.070 0.280 0.000 3.276 540 H HA 0.225 4.796 4.556 0.025 0.000 0.247 540 H C 1.186 176.571 175.328 0.095 0.000 0.991 540 H CA 0.810 57.018 56.048 0.266 0.000 1.431 540 H CB 0.310 30.096 29.762 0.041 0.000 1.548 540 H HN 0.772 nan 8.280 nan 0.000 0.513 541 A N 6.577 129.303 122.820 -0.156 0.000 2.728 541 A HA 0.035 4.370 4.320 0.025 0.000 0.258 541 A C 0.980 178.428 177.584 -0.226 0.000 1.454 541 A CA -0.365 51.562 52.037 -0.184 0.000 1.146 541 A CB -0.691 18.180 19.000 -0.215 0.000 0.985 541 A HN 0.807 nan 8.150 nan 0.000 0.603 542 M N 1.359 120.816 119.600 -0.239 0.000 2.220 542 M HA 0.440 4.935 4.480 0.025 0.000 0.343 542 M C 0.978 177.161 176.300 -0.195 0.000 1.470 542 M CA 1.176 56.356 55.300 -0.199 0.000 1.161 542 M CB -0.283 32.270 32.600 -0.078 0.000 1.737 542 M HN 0.800 nan 8.290 nan 0.000 0.464 543 G N 4.524 113.182 108.800 -0.236 0.000 2.582 543 G HA2 -0.361 3.614 3.960 0.025 0.000 0.288 543 G HA3 -0.361 3.614 3.960 0.025 0.000 0.288 543 G C -0.140 174.276 174.900 -0.806 0.000 1.247 543 G CA 0.195 44.967 45.100 -0.546 0.000 0.972 543 G HN 0.867 nan 8.290 nan 0.000 0.557 544 N N 1.356 119.397 118.700 -1.098 0.000 2.466 544 N HA 0.477 5.232 4.740 0.025 0.000 0.263 544 N C -0.038 175.241 175.510 -0.385 0.000 1.178 544 N CA 1.080 53.679 53.050 -0.752 0.000 0.983 544 N CB 0.299 38.364 38.487 -0.704 0.000 1.331 544 N HN 0.731 nan 8.380 nan 0.000 0.500 545 S N 1.712 117.268 115.700 -0.241 0.000 2.911 545 S HA 0.643 5.128 4.470 0.025 0.000 0.319 545 S C -0.059 174.487 174.600 -0.090 0.000 1.154 545 S CA -0.400 57.714 58.200 -0.144 0.000 0.857 545 S CB 0.365 63.499 63.200 -0.109 0.000 1.279 545 S HN 0.379 nan 8.310 nan 0.000 0.593 546 L N 0.099 121.301 121.223 -0.035 0.000 4.609 546 L HA -0.054 4.301 4.340 0.025 0.000 0.396 546 L C 0.498 177.421 176.870 0.088 0.000 1.028 546 L CA 0.824 55.670 54.840 0.009 0.000 1.232 546 L CB -1.758 40.211 42.059 -0.150 0.000 2.071 546 L HN 0.710 nan 8.230 nan 0.000 0.613 547 G N -0.765 108.055 108.800 0.034 0.000 2.365 547 G HA2 0.479 4.454 3.960 0.025 0.000 0.249 547 G HA3 0.479 4.454 3.960 0.025 0.000 0.249 547 G C 1.222 176.179 174.900 0.095 0.000 1.288 547 G CA 0.219 45.317 45.100 -0.003 0.000 0.887 547 G HN 1.375 nan 8.290 nan 0.000 0.524 548 G N 1.606 110.460 108.800 0.091 0.000 2.157 548 G HA2 -0.317 3.658 3.960 0.025 0.000 0.248 548 G HA3 -0.317 3.658 3.960 0.025 0.000 0.248 548 G C 0.966 176.049 174.900 0.306 0.000 0.979 548 G CA 0.747 45.953 45.100 0.178 0.000 0.650 548 G HN 0.792 nan 8.290 nan 0.000 0.529 549 F N 1.758 121.829 119.950 0.202 0.000 2.126 549 F HA 0.145 4.688 4.527 0.026 0.000 0.299 549 F C 2.641 178.655 175.800 0.357 0.000 1.096 549 F CA 2.477 60.666 58.000 0.315 0.000 1.255 549 F CB -0.480 38.641 39.000 0.201 0.000 0.997 549 F HN 0.340 nan 8.300 nan 0.000 0.479 550 A N -0.322 122.665 122.820 0.278 0.000 2.019 550 A HA -0.228 4.107 4.320 0.025 0.000 0.219 550 A C 2.277 179.881 177.584 0.033 0.000 1.164 550 A CA 1.648 53.778 52.037 0.155 0.000 0.644 550 A CB -0.821 18.281 19.000 0.170 0.000 0.805 550 A HN 0.447 nan 8.150 nan 0.000 0.449 551 K N -1.643 118.764 120.400 0.010 0.000 2.152 551 K HA -0.183 4.152 4.320 0.025 0.000 0.206 551 K C 1.601 177.979 176.600 -0.370 0.000 1.048 551 K CA 1.605 57.814 56.287 -0.129 0.000 0.933 551 K CB -0.280 32.147 32.500 -0.123 0.000 0.721 551 K HN 0.620 nan 8.250 nan 0.000 0.447 552 Y N -0.991 119.053 120.300 -0.427 0.000 2.184 552 Y HA -0.204 4.360 4.550 0.024 0.000 0.290 552 Y C 1.953 176.914 175.900 -1.564 0.000 1.129 552 Y CA 1.371 58.862 58.100 -1.015 0.000 1.144 552 Y CB -0.335 37.462 38.460 -1.106 0.000 0.995 552 Y HN 0.136 nan 8.280 nan 0.000 0.513 553 W N 0.341 121.216 121.300 -0.709 0.000 2.321 553 W HA -0.257 4.420 4.660 0.028 0.000 0.306 553 W C 2.635 178.970 176.519 -0.307 0.000 1.217 553 W CA 1.824 58.870 57.345 -0.498 0.000 1.257 553 W CB -0.780 28.474 29.460 -0.344 0.000 1.145 553 W HN 0.084 nan 8.180 nan 0.000 0.509 554 Q N 0.311 120.012 119.800 -0.165 0.000 2.084 554 Q HA -0.184 4.171 4.340 0.025 0.000 0.202 554 Q C 2.238 178.173 176.000 -0.107 0.000 0.978 554 Q CA 2.016 57.767 55.803 -0.087 0.000 0.844 554 Q CB -0.449 28.258 28.738 -0.052 0.000 0.898 554 Q HN 0.293 nan 8.270 nan 0.000 0.426 555 A N -0.046 122.628 122.820 -0.244 0.000 1.897 555 A HA -0.091 4.244 4.320 0.025 0.000 0.215 555 A C 1.940 179.498 177.584 -0.043 0.000 1.181 555 A CA 0.856 52.787 52.037 -0.175 0.000 0.620 555 A CB -1.004 17.777 19.000 -0.364 0.000 0.821 555 A HN 0.470 nan 8.150 nan 0.000 0.443 556 F N -0.493 119.272 119.950 -0.308 0.000 2.202 556 F HA -0.200 4.343 4.527 0.026 0.000 0.301 556 F C 2.746 178.434 175.800 -0.187 0.000 1.082 556 F CA 1.045 58.836 58.000 -0.348 0.000 1.313 556 F CB -0.116 38.463 39.000 -0.702 0.000 1.024 556 F HN 0.166 nan 8.300 nan 0.000 0.495 557 R N 0.057 120.599 120.500 0.070 0.000 2.090 557 R HA -0.158 4.197 4.340 0.025 0.000 0.228 557 R C 2.189 178.516 176.300 0.045 0.000 1.110 557 R CA 1.129 57.257 56.100 0.047 0.000 0.973 557 R CB -0.343 29.980 30.300 0.038 0.000 0.869 557 R HN 0.328 nan 8.270 nan 0.000 0.440 558 Q N -0.466 119.387 119.800 0.088 0.000 2.123 558 Q HA -0.085 4.270 4.340 0.025 0.000 0.199 558 Q C -0.455 175.576 176.000 0.052 0.000 0.966 558 Q CA 1.051 56.903 55.803 0.081 0.000 0.845 558 Q CB 0.319 29.128 28.738 0.119 0.000 0.907 558 Q HN 0.197 nan 8.270 nan 0.000 0.439 559 Y N 0.171 120.450 120.300 -0.036 0.000 2.353 559 Y HA 0.248 4.811 4.550 0.022 0.000 0.340 559 Y C -1.748 174.121 175.900 -0.052 0.000 0.972 559 Y CA -2.785 55.293 58.100 -0.037 0.000 1.157 559 Y CB 1.410 39.854 38.460 -0.027 0.000 1.157 559 Y HN 0.139 nan 8.280 nan 0.000 0.495 560 P HA -0.161 nan 4.420 nan 0.000 0.215 560 P C 1.086 178.382 177.300 -0.006 0.000 1.153 560 P CA 1.752 64.850 63.100 -0.004 0.000 0.853 560 P CB 0.306 31.986 31.700 -0.032 0.000 0.788 561 R N -1.048 119.468 120.500 0.027 0.000 2.316 561 R HA 0.057 4.412 4.340 0.025 0.000 0.202 561 R C 0.507 176.775 176.300 -0.054 0.000 1.029 561 R CA 0.234 56.328 56.100 -0.010 0.000 1.018 561 R CB -0.585 29.720 30.300 0.008 0.000 0.888 561 R HN 0.247 nan 8.270 nan 0.000 0.471 562 L N 1.954 123.161 121.223 -0.027 0.000 2.334 562 L HA 0.117 4.472 4.340 0.025 0.000 0.286 562 L C 0.594 177.291 176.870 -0.288 0.000 1.108 562 L CA 0.143 54.911 54.840 -0.120 0.000 0.875 562 L CB 0.983 43.047 42.059 0.008 0.000 1.246 562 L HN 0.098 nan 8.230 nan 0.000 0.439 563 Q N 2.590 122.147 119.800 -0.404 0.000 2.201 563 Q HA 0.297 4.652 4.340 0.025 0.000 0.217 563 Q C 0.879 176.441 176.000 -0.729 0.000 0.860 563 Q CA 0.121 55.654 55.803 -0.451 0.000 0.984 563 Q CB 0.961 29.532 28.738 -0.278 0.000 1.095 563 Q HN 0.940 nan 8.270 nan 0.000 0.477 564 G N -0.355 107.601 108.800 -1.405 0.000 2.428 564 G HA2 0.103 4.078 3.960 0.025 0.000 0.202 564 G HA3 0.103 4.078 3.960 0.025 0.000 0.202 564 G C -0.342 173.743 174.900 -1.359 0.000 1.247 564 G CA -0.774 43.198 45.100 -1.880 0.000 1.020 564 G HN 0.536 nan 8.290 nan 0.000 0.529 565 G N -2.208 106.068 108.800 -0.874 0.000 2.441 565 G HA2 0.650 4.625 3.960 0.025 0.000 0.294 565 G HA3 0.650 4.625 3.960 0.025 0.000 0.294 565 G C -1.816 172.961 174.900 -0.205 0.000 1.393 565 G CA -0.390 44.405 45.100 -0.509 0.000 0.796 565 G HN 1.083 nan 8.290 nan 0.000 0.494 566 F N 0.850 121.008 119.950 0.347 0.000 2.375 566 F HA 0.499 5.040 4.527 0.023 0.000 0.361 566 F C 0.810 176.901 175.800 0.484 0.000 1.117 566 F CA -0.680 57.557 58.000 0.396 0.000 1.037 566 F CB 1.960 41.100 39.000 0.233 0.000 1.192 566 F HN 0.226 nan 8.300 nan 0.000 0.452 567 V N 3.527 123.769 119.914 0.547 0.000 2.872 567 V HA -0.128 4.007 4.120 0.025 0.000 0.307 567 V C -0.227 176.025 176.094 0.264 0.000 1.072 567 V CA -0.265 62.158 62.300 0.204 0.000 1.148 567 V CB 0.843 32.780 31.823 0.191 0.000 0.954 567 V HN 0.748 nan 8.190 nan 0.000 0.490 568 W N 6.510 127.892 121.300 0.137 0.000 2.278 568 W HA 0.468 5.143 4.660 0.024 0.000 0.317 568 W C -0.859 175.663 176.519 0.004 0.000 1.030 568 W CA -0.639 56.816 57.345 0.182 0.000 1.334 568 W CB 1.255 30.987 29.460 0.453 0.000 1.215 568 W HN 0.911 nan 8.180 nan 0.000 0.405 569 D N 2.893 122.956 120.400 -0.561 0.000 2.825 569 D HA 0.074 4.729 4.640 0.025 0.000 0.327 569 D C 0.585 176.640 176.300 -0.409 0.000 1.277 569 D CA -0.577 52.966 54.000 -0.763 0.000 0.950 569 D CB 0.172 39.888 40.800 -1.807 0.000 1.438 569 D HN 0.419 nan 8.370 nan 0.000 0.526 570 W N 0.482 121.446 121.300 -0.559 0.000 2.380 570 W HA 0.118 4.793 4.660 0.025 0.000 0.317 570 W C -0.118 176.148 176.519 -0.421 0.000 1.196 570 W CA 1.146 58.218 57.345 -0.454 0.000 1.307 570 W CB 0.339 29.562 29.460 -0.395 0.000 1.157 570 W HN 0.158 nan 8.180 nan 0.000 0.483 571 V N 2.736 122.372 119.914 -0.462 0.000 2.588 571 V HA 0.216 4.351 4.120 0.025 0.000 0.304 571 V C -0.948 174.893 176.094 -0.423 0.000 1.042 571 V CA -0.770 61.200 62.300 -0.549 0.000 0.877 571 V CB 1.409 33.010 31.823 -0.371 0.000 0.996 571 V HN -0.104 nan 8.190 nan 0.000 0.425 572 D N 4.257 124.407 120.400 -0.417 0.000 2.583 572 D HA 0.038 4.693 4.640 0.025 0.000 0.232 572 D C 0.451 176.506 176.300 -0.408 0.000 1.128 572 D CA 0.818 54.634 54.000 -0.307 0.000 0.859 572 D CB 0.781 41.510 40.800 -0.117 0.000 1.169 572 D HN 0.614 nan 8.370 nan 0.000 0.481 573 Q N 1.211 120.701 119.800 -0.517 0.000 2.894 573 Q HA 0.107 4.462 4.340 0.025 0.000 0.358 573 Q C -0.128 175.760 176.000 -0.186 0.000 1.155 573 Q CA -0.316 54.934 55.803 -0.923 0.000 0.960 573 Q CB 0.063 28.483 28.738 -0.531 0.000 1.428 573 Q HN 0.393 nan 8.270 nan 0.000 0.437 574 S N -0.499 115.190 115.700 -0.018 0.000 2.616 574 S HA 0.595 5.080 4.470 0.025 0.000 0.277 574 S C -0.100 174.657 174.600 0.262 0.000 1.234 574 S CA -0.765 57.581 58.200 0.243 0.000 1.028 574 S CB 1.439 64.771 63.200 0.219 0.000 0.988 574 S HN 0.293 nan 8.310 nan 0.000 0.522 575 L N 1.742 123.065 121.223 0.166 0.000 2.330 575 L HA 0.525 4.880 4.340 0.025 0.000 0.271 575 L C -0.280 176.490 176.870 -0.165 0.000 1.013 575 L CA -1.234 53.571 54.840 -0.059 0.000 0.816 575 L CB 1.317 43.204 42.059 -0.287 0.000 1.287 575 L HN 0.551 nan 8.230 nan 0.000 0.435 576 I N 2.414 122.822 120.570 -0.271 0.000 2.441 576 I HA 0.214 4.399 4.170 0.025 0.000 0.287 576 I C 0.226 175.920 176.117 -0.704 0.000 1.049 576 I CA 0.129 61.133 61.300 -0.493 0.000 1.381 576 I CB 0.881 38.585 38.000 -0.493 0.000 1.409 576 I HN 0.568 nan 8.210 nan 0.000 0.523 577 K N 5.524 125.249 120.400 -1.125 0.000 2.306 577 K HA 0.568 4.903 4.320 0.025 0.000 0.236 577 K C -1.491 174.377 176.600 -1.219 0.000 1.013 577 K CA -0.733 54.825 56.287 -1.216 0.000 0.857 577 K CB 2.248 33.707 32.500 -1.736 0.000 1.214 577 K HN 0.227 nan 8.250 nan 0.000 0.449 578 Y N 0.475 120.592 120.300 -0.304 0.000 2.485 578 Y HA 0.146 4.711 4.550 0.025 0.000 0.345 578 Y C 0.186 176.205 175.900 0.200 0.000 0.998 578 Y CA -1.222 56.857 58.100 -0.034 0.000 1.059 578 Y CB 1.164 39.609 38.460 -0.025 0.000 1.234 578 Y HN 0.636 nan 8.280 nan 0.000 0.461 579 D N 0.132 120.788 120.400 0.427 0.000 2.411 579 D HA 0.055 4.710 4.640 0.025 0.000 0.251 579 D C 0.623 177.039 176.300 0.192 0.000 1.201 579 D CA -0.483 53.703 54.000 0.310 0.000 0.996 579 D CB 0.726 41.656 40.800 0.217 0.000 1.101 579 D HN 0.617 nan 8.370 nan 0.000 0.504 580 E N -0.210 120.062 120.200 0.120 0.000 2.265 580 E HA -0.219 4.146 4.350 0.025 0.000 0.196 580 E C 1.118 177.755 176.600 0.061 0.000 0.996 580 E CA 0.894 57.338 56.400 0.073 0.000 0.832 580 E CB -0.597 29.128 29.700 0.042 0.000 0.756 580 E HN 0.377 nan 8.360 nan 0.000 0.491 581 N N 0.371 119.116 118.700 0.075 0.000 2.494 581 N HA -0.009 4.746 4.740 0.025 0.000 0.182 581 N C 0.996 176.549 175.510 0.073 0.000 1.076 581 N CA 1.053 54.141 53.050 0.064 0.000 0.908 581 N CB 0.241 38.770 38.487 0.071 0.000 0.967 581 N HN 0.391 nan 8.380 nan 0.000 0.449 582 G N -0.396 108.465 108.800 0.102 0.000 2.157 582 G HA2 -0.251 3.724 3.960 0.025 0.000 0.248 582 G HA3 -0.251 3.724 3.960 0.025 0.000 0.248 582 G C -0.221 174.787 174.900 0.181 0.000 0.979 582 G CA -0.158 44.996 45.100 0.090 0.000 0.650 582 G HN 0.355 nan 8.290 nan 0.000 0.529 583 N N 1.747 120.583 118.700 0.226 0.000 2.498 583 N HA 0.476 5.231 4.740 0.025 0.000 0.287 583 N C -2.662 173.041 175.510 0.322 0.000 1.097 583 N CA -1.108 52.096 53.050 0.256 0.000 0.973 583 N CB 2.028 40.618 38.487 0.171 0.000 1.153 583 N HN 0.184 nan 8.380 nan 0.000 0.472 584 P HA 0.284 nan 4.420 nan 0.000 0.282 584 P C -0.586 176.680 177.300 -0.057 0.000 1.249 584 P CA -0.383 62.601 63.100 -0.193 0.000 0.806 584 P CB 0.783 32.317 31.700 -0.276 0.000 0.984 585 W N -0.174 120.907 121.300 -0.365 0.000 3.031 585 W HA 0.485 5.160 4.660 0.025 0.000 0.337 585 W C -1.454 174.861 176.519 -0.339 0.000 1.187 585 W CA -1.170 55.938 57.345 -0.395 0.000 1.166 585 W CB 0.462 29.466 29.460 -0.761 0.000 1.437 585 W HN 0.116 nan 8.180 nan 0.000 0.551 586 S N 1.625 117.357 115.700 0.053 0.000 2.439 586 S HA 0.566 5.051 4.470 0.025 0.000 0.282 586 S C 0.165 174.919 174.600 0.256 0.000 1.170 586 S CA -0.240 58.005 58.200 0.074 0.000 1.054 586 S CB 0.580 63.883 63.200 0.172 0.000 0.956 586 S HN 0.592 nan 8.310 nan 0.000 0.490 587 A N 3.249 126.077 122.820 0.013 0.000 2.311 587 A HA 0.908 5.243 4.320 0.025 0.000 0.334 587 A C -0.696 177.190 177.584 0.502 0.000 1.139 587 A CA -0.708 51.411 52.037 0.138 0.000 0.830 587 A CB 0.701 19.487 19.000 -0.356 0.000 1.234 587 A HN 0.853 nan 8.150 nan 0.000 0.483 588 Y N -1.040 119.619 120.300 0.597 0.000 2.965 588 Y HA 0.761 5.326 4.550 0.025 0.000 0.310 588 Y C 0.596 176.905 175.900 0.680 0.000 1.480 588 Y CA -1.251 57.203 58.100 0.591 0.000 1.094 588 Y CB 0.008 38.638 38.460 0.283 0.000 1.377 588 Y HN 0.926 nan 8.280 nan 0.000 0.514 589 G N -0.091 109.121 108.800 0.687 0.000 2.265 589 G HA2 0.375 4.350 3.960 0.025 0.000 0.240 589 G HA3 0.375 4.350 3.960 0.025 0.000 0.240 589 G C 0.962 176.175 174.900 0.522 0.000 1.270 589 G CA 0.410 45.814 45.100 0.507 0.000 0.901 589 G HN 1.995 nan 8.290 nan 0.000 0.507 590 G N 2.301 111.372 108.800 0.452 0.000 2.253 590 G HA2 -0.289 3.686 3.960 0.025 0.000 0.251 590 G HA3 -0.289 3.686 3.960 0.025 0.000 0.251 590 G C 0.908 175.997 174.900 0.315 0.000 0.998 590 G CA 0.682 45.987 45.100 0.341 0.000 0.621 590 G HN 0.650 nan 8.290 nan 0.000 0.524 591 D N -0.224 120.392 120.400 0.360 0.000 2.392 591 D HA 0.128 4.783 4.640 0.025 0.000 0.228 591 D C 1.267 177.429 176.300 -0.230 0.000 1.003 591 D CA 0.541 54.587 54.000 0.076 0.000 0.917 591 D CB -0.216 40.593 40.800 0.014 0.000 0.890 591 D HN 0.482 nan 8.370 nan 0.000 0.532 592 F N -0.817 119.265 119.950 0.220 0.000 2.698 592 F HA 0.308 4.851 4.527 0.025 0.000 0.304 592 F C 1.658 177.545 175.800 0.146 0.000 1.108 592 F CA -0.290 57.800 58.000 0.150 0.000 1.263 592 F CB 0.602 39.691 39.000 0.148 0.000 1.013 592 F HN -0.079 nan 8.300 nan 0.000 0.532 593 G N 1.117 110.060 108.800 0.239 0.000 2.160 593 G HA2 -0.268 3.707 3.960 0.025 0.000 0.251 593 G HA3 -0.268 3.707 3.960 0.025 0.000 0.251 593 G C -0.340 174.692 174.900 0.220 0.000 1.008 593 G CA 0.229 45.439 45.100 0.183 0.000 0.724 593 G HN 0.416 nan 8.290 nan 0.000 0.514 594 D N -0.053 120.526 120.400 0.299 0.000 2.304 594 D HA 0.607 5.262 4.640 0.025 0.000 0.250 594 D C 0.153 176.567 176.300 0.191 0.000 1.107 594 D CA 0.468 54.636 54.000 0.280 0.000 0.885 594 D CB 1.934 42.971 40.800 0.395 0.000 1.192 594 D HN 0.436 nan 8.370 nan 0.000 0.436 595 T N 0.634 115.272 114.554 0.139 0.000 3.003 595 T HA 0.343 4.708 4.350 0.025 0.000 0.354 595 T C -2.843 171.889 174.700 0.053 0.000 1.651 595 T CA -1.068 61.082 62.100 0.083 0.000 1.103 595 T CB 0.864 69.784 68.868 0.085 0.000 1.450 595 T HN 0.339 nan 8.240 nan 0.000 0.484 596 P HA 0.399 nan 4.420 nan 0.000 0.268 596 P C -0.898 176.379 177.300 -0.037 0.000 1.208 596 P CA -0.141 62.950 63.100 -0.015 0.000 0.777 596 P CB 0.175 31.844 31.700 -0.052 0.000 0.875 597 N N -1.238 117.436 118.700 -0.043 0.000 2.571 597 N HA 0.262 5.017 4.740 0.025 0.000 0.273 597 N C -0.669 174.752 175.510 -0.148 0.000 1.340 597 N CA -0.780 52.213 53.050 -0.095 0.000 0.789 597 N CB 0.883 39.398 38.487 0.048 0.000 1.514 597 N HN 0.111 nan 8.380 nan 0.000 0.499 598 D N -0.479 119.743 120.400 -0.297 0.000 2.388 598 D HA 0.104 4.759 4.640 0.025 0.000 0.221 598 D C 0.411 176.823 176.300 0.188 0.000 1.133 598 D CA -0.047 53.849 54.000 -0.175 0.000 0.831 598 D CB 0.102 40.674 40.800 -0.381 0.000 0.962 598 D HN 0.706 nan 8.370 nan 0.000 0.502 599 R N 0.780 121.439 120.500 0.266 0.000 3.750 599 R HA -0.313 4.042 4.340 0.025 0.000 0.495 599 R C 1.222 177.645 176.300 0.205 0.000 0.241 599 R CA 1.465 57.781 56.100 0.360 0.000 1.551 599 R CB -1.672 28.765 30.300 0.227 0.000 0.956 599 R HN 0.119 nan 8.270 nan 0.000 0.584 600 Q N 1.323 120.915 119.800 -0.346 0.000 2.515 600 Q HA -0.098 4.257 4.340 0.025 0.000 0.212 600 Q C 1.617 177.476 176.000 -0.234 0.000 0.970 600 Q CA 1.638 57.047 55.803 -0.657 0.000 0.941 600 Q CB -0.127 27.974 28.738 -1.063 0.000 0.998 600 Q HN 0.574 nan 8.270 nan 0.000 0.518 601 F N 2.245 122.138 119.950 -0.095 0.000 2.307 601 F HA -0.170 4.372 4.527 0.024 0.000 0.301 601 F C 2.035 177.827 175.800 -0.014 0.000 1.076 601 F CA 1.103 59.122 58.000 0.031 0.000 1.383 601 F CB -0.147 38.920 39.000 0.112 0.000 1.055 601 F HN 0.457 nan 8.300 nan 0.000 0.526 602 C N -0.959 118.044 119.300 -0.494 0.000 2.576 602 C HA 0.301 4.776 4.460 0.025 0.000 0.267 602 C C 0.902 175.602 174.990 -0.484 0.000 1.364 602 C CA -0.546 57.975 59.018 -0.828 0.000 1.723 602 C CB -1.943 24.605 27.740 -1.985 0.000 1.778 602 C HN 0.209 nan 8.230 nan 0.000 0.572 603 M N 2.723 122.102 119.600 -0.370 0.000 2.060 603 M HA 0.287 4.782 4.480 0.025 0.000 0.342 603 M C -0.509 175.627 176.300 -0.272 0.000 1.031 603 M CA 0.327 55.470 55.300 -0.262 0.000 0.981 603 M CB 0.174 32.682 32.600 -0.153 0.000 1.376 603 M HN 0.404 nan 8.290 nan 0.000 0.397 604 N N 0.902 119.419 118.700 -0.305 0.000 2.387 604 N HA 0.215 4.971 4.740 0.025 0.000 0.259 604 N C 0.175 175.442 175.510 -0.405 0.000 1.369 604 N CA -0.566 52.260 53.050 -0.374 0.000 0.867 604 N CB 1.212 39.439 38.487 -0.433 0.000 1.341 604 N HN 0.627 nan 8.380 nan 0.000 0.495 605 G N -0.070 108.467 108.800 -0.439 0.000 2.477 605 G HA2 0.396 4.371 3.960 0.025 0.000 0.304 605 G HA3 0.396 4.371 3.960 0.025 0.000 0.304 605 G C 0.714 175.141 174.900 -0.788 0.000 1.175 605 G CA -0.594 44.148 45.100 -0.596 0.000 0.907 605 G HN 0.085 nan 8.290 nan 0.000 0.509 606 L N -0.233 120.534 121.223 -0.760 0.000 2.217 606 L HA 0.090 4.445 4.340 0.025 0.000 0.211 606 L C 1.101 177.373 176.870 -0.996 0.000 1.107 606 L CA 0.567 54.986 54.840 -0.702 0.000 0.783 606 L CB -0.324 41.440 42.059 -0.493 0.000 0.919 606 L HN 0.393 nan 8.230 nan 0.000 0.442 607 V N -4.506 114.671 119.914 -1.229 0.000 2.864 607 V HA 0.464 4.599 4.120 0.025 0.000 0.314 607 V C -0.226 175.344 176.094 -0.874 0.000 1.073 607 V CA -1.221 60.485 62.300 -0.990 0.000 0.956 607 V CB 1.653 32.911 31.823 -0.942 0.000 1.023 607 V HN -0.130 nan 8.190 nan 0.000 0.435 608 F N 1.739 121.479 119.950 -0.350 0.000 2.399 608 F HA 0.590 5.132 4.527 0.026 0.000 0.313 608 F C 1.952 177.641 175.800 -0.185 0.000 1.202 608 F CA 0.456 58.382 58.000 -0.123 0.000 1.192 608 F CB 0.890 39.894 39.000 0.008 0.000 1.256 608 F HN 0.766 nan 8.300 nan 0.000 0.558 609 A N 0.565 123.449 122.820 0.107 0.000 2.032 609 A HA -0.234 4.101 4.320 0.025 0.000 0.221 609 A C 1.560 179.114 177.584 -0.051 0.000 1.165 609 A CA 1.979 54.028 52.037 0.020 0.000 0.645 609 A CB -1.022 18.035 19.000 0.095 0.000 0.807 609 A HN 0.791 nan 8.150 nan 0.000 0.453 610 D N -3.200 117.188 120.400 -0.020 0.000 2.319 610 D HA 0.174 4.829 4.640 0.025 0.000 0.230 610 D C 0.687 176.972 176.300 -0.027 0.000 1.094 610 D CA -0.027 53.943 54.000 -0.051 0.000 0.856 610 D CB -0.035 40.739 40.800 -0.043 0.000 0.915 610 D HN 0.217 nan 8.370 nan 0.000 0.517 611 R N -1.962 118.513 120.500 -0.043 0.000 3.728 611 R HA -0.117 4.238 4.340 0.025 0.000 0.478 611 R C -0.325 175.961 176.300 -0.023 0.000 0.932 611 R CA 1.142 57.207 56.100 -0.058 0.000 1.317 611 R CB -3.127 27.178 30.300 0.008 0.000 1.987 611 R HN 0.257 nan 8.270 nan 0.000 0.509 612 T N 2.851 117.433 114.554 0.047 0.000 2.884 612 T HA 0.401 4.766 4.350 0.025 0.000 0.298 612 T C -2.297 172.491 174.700 0.147 0.000 0.998 612 T CA -0.875 61.285 62.100 0.101 0.000 1.124 612 T CB 1.225 70.170 68.868 0.129 0.000 0.931 612 T HN -0.045 nan 8.240 nan 0.000 0.531 613 P HA 0.259 nan 4.420 nan 0.000 0.281 613 P C -0.403 176.939 177.300 0.070 0.000 1.249 613 P CA -0.540 62.542 63.100 -0.030 0.000 0.810 613 P CB 0.618 32.299 31.700 -0.032 0.000 1.008 614 H N 1.939 120.826 119.070 -0.305 0.000 2.547 614 H HA 0.108 4.679 4.556 0.025 0.000 0.362 614 H C -1.281 173.939 175.328 -0.180 0.000 1.181 614 H CA -1.742 54.098 56.048 -0.347 0.000 1.376 614 H CB 0.383 29.892 29.762 -0.422 0.000 1.488 614 H HN 0.309 nan 8.280 nan 0.000 0.583 615 P HA -0.162 nan 4.420 nan 0.000 0.218 615 P C 1.177 178.467 177.300 -0.016 0.000 1.148 615 P CA 1.415 64.495 63.100 -0.034 0.000 0.822 615 P CB 0.049 31.724 31.700 -0.041 0.000 0.784 616 A N -0.494 122.319 122.820 -0.011 0.000 2.024 616 A HA -0.188 4.147 4.320 0.025 0.000 0.220 616 A C 2.069 179.597 177.584 -0.092 0.000 1.164 616 A CA 1.227 53.226 52.037 -0.063 0.000 0.643 616 A CB -1.633 17.311 19.000 -0.092 0.000 0.806 616 A HN 0.161 nan 8.150 nan 0.000 0.451 617 L N -0.476 120.707 121.223 -0.066 0.000 2.081 617 L HA -0.157 4.198 4.340 0.025 0.000 0.212 617 L C 2.541 179.447 176.870 0.060 0.000 1.080 617 L CA 2.704 57.536 54.840 -0.012 0.000 0.754 617 L CB -0.943 41.106 42.059 -0.016 0.000 0.893 617 L HN 0.407 nan 8.230 nan 0.000 0.433 618 T N -1.646 112.949 114.554 0.068 0.000 2.821 618 T HA -0.213 4.153 4.350 0.025 0.000 0.267 618 T C 1.821 176.626 174.700 0.174 0.000 1.046 618 T CA 1.462 63.658 62.100 0.161 0.000 1.139 618 T CB -0.136 68.807 68.868 0.125 0.000 0.871 618 T HN 0.477 nan 8.240 nan 0.000 0.454 619 E N 0.799 121.040 120.200 0.068 0.000 2.085 619 E HA -0.019 4.346 4.350 0.025 0.000 0.194 619 E C 2.168 178.773 176.600 0.009 0.000 0.994 619 E CA 1.492 57.933 56.400 0.069 0.000 0.801 619 E CB -0.640 29.062 29.700 0.003 0.000 0.743 619 E HN 0.555 nan 8.360 nan 0.000 0.453 620 A N 0.788 123.500 122.820 -0.181 0.000 1.902 620 A HA -0.226 4.109 4.320 0.025 0.000 0.217 620 A C 2.155 179.649 177.584 -0.149 0.000 1.181 620 A CA 1.928 53.820 52.037 -0.241 0.000 0.623 620 A CB -0.625 18.217 19.000 -0.264 0.000 0.818 620 A HN 0.267 nan 8.150 nan 0.000 0.443 621 K N -1.147 119.242 120.400 -0.019 0.000 2.020 621 K HA -0.300 4.035 4.320 0.025 0.000 0.212 621 K C 2.070 178.575 176.600 -0.159 0.000 1.050 621 K CA 2.115 58.402 56.287 -0.001 0.000 0.929 621 K CB -0.376 32.274 32.500 0.249 0.000 0.714 621 K HN 0.640 nan 8.250 nan 0.000 0.443 622 H N 0.297 119.197 119.070 -0.285 0.000 2.353 622 H HA -0.046 4.525 4.556 0.026 0.000 0.300 622 H C 1.957 177.009 175.328 -0.460 0.000 1.090 622 H CA 1.894 57.578 56.048 -0.607 0.000 1.327 622 H CB 0.087 29.515 29.762 -0.557 0.000 1.383 622 H HN 0.274 nan 8.280 nan 0.000 0.508 623 Q N 0.192 119.740 119.800 -0.420 0.000 2.167 623 Q HA -0.106 4.249 4.340 0.025 0.000 0.202 623 Q C 1.720 177.174 176.000 -0.909 0.000 0.970 623 Q CA 1.285 56.763 55.803 -0.542 0.000 0.855 623 Q CB 0.000 28.575 28.738 -0.273 0.000 0.911 623 Q HN 0.720 nan 8.270 nan 0.000 0.438 624 Q N 0.170 119.377 119.800 -0.988 0.000 2.320 624 Q HA 0.069 4.425 4.340 0.025 0.000 0.201 624 Q C 0.048 175.457 176.000 -0.985 0.000 0.910 624 Q CA -0.240 54.846 55.803 -1.194 0.000 0.946 624 Q CB 0.317 28.393 28.738 -1.104 0.000 1.062 624 Q HN 0.380 nan 8.270 nan 0.000 0.503 625 Q N -0.433 118.946 119.800 -0.702 0.000 2.394 625 Q HA -0.091 4.264 4.340 0.025 0.000 0.303 625 Q C -0.117 175.469 176.000 -0.690 0.000 1.117 625 Q CA 0.554 56.065 55.803 -0.486 0.000 0.966 625 Q CB 0.424 28.958 28.738 -0.340 0.000 1.275 625 Q HN 0.290 nan 8.270 nan 0.000 0.429 626 F N 0.055 119.752 119.950 -0.422 0.000 2.721 626 F HA 0.223 4.765 4.527 0.024 0.000 0.301 626 F C -0.135 175.013 175.800 -1.087 0.000 1.096 626 F CA -0.122 57.361 58.000 -0.861 0.000 1.308 626 F CB 0.590 38.751 39.000 -1.399 0.000 1.086 626 F HN 0.296 nan 8.300 nan 0.000 0.587 627 F N 1.003 120.878 119.950 -0.124 0.000 2.467 627 F HA 0.445 4.988 4.527 0.026 0.000 0.336 627 F C 0.063 175.529 175.800 -0.557 0.000 1.123 627 F CA -1.040 56.784 58.000 -0.293 0.000 0.964 627 F CB 1.051 39.935 39.000 -0.194 0.000 1.136 627 F HN -0.285 nan 8.300 nan 0.000 0.447 628 Q N 3.510 123.038 119.800 -0.453 0.000 2.245 628 Q HA 0.513 4.869 4.340 0.025 0.000 0.256 628 Q C -1.246 174.442 176.000 -0.520 0.000 0.942 628 Q CA -0.549 55.030 55.803 -0.374 0.000 0.896 628 Q CB 2.570 31.212 28.738 -0.160 0.000 1.272 628 Q HN 0.522 nan 8.270 nan 0.000 0.442 629 F N 0.606 120.678 119.950 0.204 0.000 2.532 629 F HA 0.572 5.114 4.527 0.026 0.000 0.321 629 F C 0.333 176.388 175.800 0.426 0.000 1.089 629 F CA -0.814 57.395 58.000 0.349 0.000 0.926 629 F CB 1.906 41.241 39.000 0.558 0.000 1.168 629 F HN 0.192 nan 8.300 nan 0.000 0.459 630 R N 1.760 122.550 120.500 0.483 0.000 2.744 630 R HA 0.778 5.133 4.340 0.025 0.000 0.279 630 R C -1.932 174.393 176.300 0.043 0.000 0.977 630 R CA -1.148 55.143 56.100 0.319 0.000 0.906 630 R CB 2.676 33.071 30.300 0.157 0.000 1.197 630 R HN 0.576 nan 8.270 nan 0.000 0.463 631 L N 0.946 122.050 121.223 -0.197 0.000 2.385 631 L HA 0.573 4.928 4.340 0.025 0.000 0.273 631 L C -1.161 175.536 176.870 -0.288 0.000 0.990 631 L CA 0.007 54.531 54.840 -0.526 0.000 0.821 631 L CB 2.222 43.501 42.059 -1.299 0.000 1.279 631 L HN 0.638 nan 8.230 nan 0.000 0.412 632 S N 4.284 119.849 115.700 -0.226 0.000 2.745 632 S HA 0.749 5.234 4.470 0.025 0.000 0.283 632 S C 0.339 174.848 174.600 -0.151 0.000 1.170 632 S CA 0.303 58.417 58.200 -0.143 0.000 1.119 632 S CB 0.587 63.734 63.200 -0.089 0.000 1.035 632 S HN 1.782 nan 8.310 nan 0.000 0.483 633 G N 4.540 113.253 108.800 -0.146 0.000 2.720 633 G HA2 -0.323 3.652 3.960 0.025 0.000 0.293 633 G HA3 -0.323 3.652 3.960 0.025 0.000 0.293 633 G C 0.351 175.145 174.900 -0.176 0.000 1.256 633 G CA 0.841 45.860 45.100 -0.135 0.000 0.974 633 G HN 1.518 nan 8.290 nan 0.000 0.551 634 Q N 0.353 120.047 119.800 -0.178 0.000 2.086 634 Q HA 0.455 4.810 4.340 0.025 0.000 0.220 634 Q C 0.228 176.090 176.000 -0.230 0.000 0.792 634 Q CA 0.771 56.446 55.803 -0.213 0.000 1.062 634 Q CB -0.376 28.255 28.738 -0.179 0.000 1.198 634 Q HN 0.574 nan 8.270 nan 0.000 0.466 635 T N 2.129 116.559 114.554 -0.207 0.000 2.772 635 T HA 0.629 4.994 4.350 0.025 0.000 0.288 635 T C -0.292 174.297 174.700 -0.185 0.000 0.994 635 T CA -0.351 61.647 62.100 -0.171 0.000 0.951 635 T CB 0.471 69.271 68.868 -0.113 0.000 0.933 635 T HN 0.221 nan 8.240 nan 0.000 0.447 636 I N 3.031 123.507 120.570 -0.157 0.000 2.365 636 I HA 0.324 4.509 4.170 0.025 0.000 0.291 636 I C 0.658 176.792 176.117 0.029 0.000 1.004 636 I CA -0.485 60.758 61.300 -0.095 0.000 1.311 636 I CB 1.075 39.066 38.000 -0.016 0.000 1.401 636 I HN 0.496 nan 8.210 nan 0.000 0.491 637 E N 6.484 126.730 120.200 0.076 0.000 2.114 637 E HA 0.408 4.773 4.350 0.025 0.000 0.266 637 E C -1.532 175.152 176.600 0.141 0.000 0.896 637 E CA -0.606 55.847 56.400 0.088 0.000 0.750 637 E CB 1.460 31.191 29.700 0.052 0.000 1.121 637 E HN 0.376 nan 8.360 nan 0.000 0.413 638 V N 4.081 124.064 119.914 0.115 0.000 2.394 638 V HA 0.330 4.465 4.120 0.025 0.000 0.282 638 V C 0.095 176.195 176.094 0.010 0.000 1.031 638 V CA -0.473 61.848 62.300 0.035 0.000 0.881 638 V CB 1.593 33.479 31.823 0.105 0.000 0.982 638 V HN 0.680 nan 8.190 nan 0.000 0.451 639 T N 3.324 117.837 114.554 -0.067 0.000 2.824 639 T HA 0.344 4.709 4.350 0.025 0.000 0.282 639 T C -0.151 174.531 174.700 -0.028 0.000 0.993 639 T CA -0.265 61.816 62.100 -0.031 0.000 0.967 639 T CB 1.591 70.422 68.868 -0.061 0.000 0.960 639 T HN 0.676 nan 8.240 nan 0.000 0.441 640 S N 1.829 117.531 115.700 0.004 0.000 2.499 640 S HA 0.237 4.722 4.470 0.025 0.000 0.279 640 S C 0.790 175.272 174.600 -0.197 0.000 1.219 640 S CA -0.570 57.572 58.200 -0.097 0.000 1.062 640 S CB 0.586 63.830 63.200 0.074 0.000 0.978 640 S HN 0.719 nan 8.310 nan 0.000 0.489 641 E N 3.130 123.111 120.200 -0.365 0.000 2.463 641 E HA 0.081 4.446 4.350 0.025 0.000 0.193 641 E C -0.747 175.673 176.600 -0.301 0.000 1.041 641 E CA -0.075 56.141 56.400 -0.307 0.000 0.879 641 E CB 0.277 29.785 29.700 -0.322 0.000 0.997 641 E HN 0.689 nan 8.360 nan 0.000 0.478 642 Y N 0.545 120.728 120.300 -0.195 0.000 2.411 642 Y HA -0.010 4.555 4.550 0.025 0.000 0.333 642 Y C 1.484 177.224 175.900 -0.266 0.000 1.186 642 Y CA -0.027 57.954 58.100 -0.198 0.000 1.381 642 Y CB 0.746 39.087 38.460 -0.198 0.000 1.273 642 Y HN -0.033 nan 8.280 nan 0.000 0.546 643 L N 1.381 122.456 121.223 -0.248 0.000 2.249 643 L HA -0.009 4.346 4.340 0.025 0.000 0.207 643 L C 0.737 177.170 176.870 -0.728 0.000 1.090 643 L CA 0.920 55.353 54.840 -0.680 0.000 0.802 643 L CB -0.102 41.133 42.059 -1.374 0.000 0.947 643 L HN 0.653 nan 8.230 nan 0.000 0.453 644 F N -0.578 119.383 119.950 0.019 0.000 2.531 644 F HA 0.194 4.735 4.527 0.024 0.000 0.273 644 F C 1.355 177.146 175.800 -0.016 0.000 0.960 644 F CA -0.814 57.175 58.000 -0.019 0.000 1.207 644 F CB 0.080 39.047 39.000 -0.056 0.000 1.012 644 F HN -0.167 nan 8.300 nan 0.000 0.738 645 R N 0.943 121.502 120.500 0.099 0.000 2.500 645 R HA 0.302 4.657 4.340 0.025 0.000 0.275 645 R C -0.483 175.819 176.300 0.004 0.000 1.051 645 R CA -0.480 55.623 56.100 0.005 0.000 1.088 645 R CB 0.430 30.621 30.300 -0.181 0.000 1.063 645 R HN 0.171 nan 8.270 nan 0.000 0.511 646 H N 0.471 119.531 119.070 -0.018 0.000 2.547 646 H HA 0.042 4.613 4.556 0.025 0.000 0.362 646 H C 0.152 175.507 175.328 0.045 0.000 1.181 646 H CA 0.172 56.243 56.048 0.038 0.000 1.376 646 H CB 1.495 31.281 29.762 0.040 0.000 1.488 646 H HN 0.781 nan 8.280 nan 0.000 0.583 647 S N 1.262 117.093 115.700 0.219 0.000 4.051 647 S HA -0.058 4.427 4.470 0.025 0.000 0.215 647 S C 0.369 175.061 174.600 0.154 0.000 1.289 647 S CA -0.579 57.766 58.200 0.241 0.000 0.907 647 S CB -0.705 62.641 63.200 0.243 0.000 1.603 647 S HN 0.582 nan 8.310 nan 0.000 0.453 648 D N 0.667 121.137 120.400 0.116 0.000 2.342 648 D HA 0.061 4.716 4.640 0.025 0.000 0.221 648 D C 0.366 176.697 176.300 0.053 0.000 1.101 648 D CA -0.259 53.789 54.000 0.080 0.000 0.837 648 D CB -0.257 40.578 40.800 0.059 0.000 0.938 648 D HN 0.496 nan 8.370 nan 0.000 0.508 649 N N 0.157 118.894 118.700 0.061 0.000 2.622 649 N HA 0.132 4.887 4.740 0.025 0.000 0.293 649 N C -1.460 174.088 175.510 0.064 0.000 1.788 649 N CA -0.151 52.928 53.050 0.049 0.000 0.860 649 N CB 0.331 38.843 38.487 0.041 0.000 1.388 649 N HN -0.055 nan 8.380 nan 0.000 0.496 650 E N 0.210 120.438 120.200 0.047 0.000 2.331 650 E HA 0.494 4.859 4.350 0.025 0.000 0.275 650 E C -1.458 175.132 176.600 -0.016 0.000 0.895 650 E CA -0.797 55.611 56.400 0.014 0.000 0.753 650 E CB 2.288 31.964 29.700 -0.041 0.000 1.216 650 E HN 0.181 nan 8.360 nan 0.000 0.434 651 L N 2.406 123.601 121.223 -0.046 0.000 2.422 651 L HA 0.663 5.018 4.340 0.025 0.000 0.264 651 L C -1.925 174.902 176.870 -0.070 0.000 0.984 651 L CA -0.927 53.889 54.840 -0.040 0.000 0.819 651 L CB 1.403 43.470 42.059 0.013 0.000 1.330 651 L HN 0.646 nan 8.230 nan 0.000 0.410 652 L N 4.412 125.668 121.223 0.056 0.000 2.265 652 L HA 0.563 4.918 4.340 0.025 0.000 0.289 652 L C -0.773 176.286 176.870 0.315 0.000 1.033 652 L CA 0.076 55.003 54.840 0.144 0.000 0.814 652 L CB 0.553 42.745 42.059 0.223 0.000 1.203 652 L HN 0.608 nan 8.230 nan 0.000 0.423 653 H N 5.054 124.206 119.070 0.136 0.000 2.458 653 H HA 0.540 5.111 4.556 0.025 0.000 0.330 653 H C -0.919 174.504 175.328 0.158 0.000 1.111 653 H CA -0.657 55.433 56.048 0.070 0.000 1.245 653 H CB 0.942 30.697 29.762 -0.011 0.000 1.456 653 H HN 0.653 nan 8.280 nan 0.000 0.488 654 W N 2.970 124.368 121.300 0.163 0.000 3.031 654 W HA 0.585 5.260 4.660 0.025 0.000 0.337 654 W C -1.610 174.957 176.519 0.081 0.000 1.187 654 W CA -1.442 55.976 57.345 0.121 0.000 1.166 654 W CB 1.251 30.780 29.460 0.114 0.000 1.437 654 W HN 0.622 nan 8.180 nan 0.000 0.551 655 M N 1.564 121.403 119.600 0.397 0.000 2.449 655 M HA 0.592 5.087 4.480 0.025 0.000 0.291 655 M C -2.615 173.893 176.300 0.347 0.000 1.148 655 M CA -0.659 54.736 55.300 0.159 0.000 0.925 655 M CB 1.528 34.058 32.600 -0.115 0.000 1.767 655 M HN 0.101 nan 8.290 nan 0.000 0.503 656 V N 2.276 122.386 119.914 0.327 0.000 2.459 656 V HA 1.030 5.165 4.120 0.025 0.000 0.295 656 V C -0.221 175.983 176.094 0.182 0.000 1.029 656 V CA -0.095 62.380 62.300 0.291 0.000 0.874 656 V CB 1.323 33.339 31.823 0.321 0.000 0.985 656 V HN 1.182 nan 8.190 nan 0.000 0.438 657 A N 4.348 127.287 122.820 0.198 0.000 2.435 657 A HA 0.872 5.207 4.320 0.025 0.000 0.304 657 A C -1.351 176.353 177.584 0.199 0.000 1.064 657 A CA -0.632 51.488 52.037 0.139 0.000 0.727 657 A CB 1.669 20.705 19.000 0.061 0.000 1.284 657 A HN 0.849 nan 8.150 nan 0.000 0.415 658 L N 1.512 122.819 121.223 0.138 0.000 2.255 658 L HA 0.502 4.857 4.340 0.025 0.000 0.289 658 L C -0.480 176.492 176.870 0.170 0.000 1.046 658 L CA 0.234 55.170 54.840 0.160 0.000 0.816 658 L CB 0.190 42.310 42.059 0.100 0.000 1.197 658 L HN 0.749 nan 8.230 nan 0.000 0.427 659 D N 5.189 125.768 120.400 0.298 0.000 2.779 659 D HA -0.191 4.464 4.640 0.025 0.000 0.223 659 D C 1.252 177.606 176.300 0.091 0.000 1.227 659 D CA 1.594 55.774 54.000 0.300 0.000 0.653 659 D CB -0.817 40.126 40.800 0.238 0.000 0.973 659 D HN 1.146 nan 8.370 nan 0.000 0.402 660 G N -0.416 108.384 108.800 0.001 0.000 2.336 660 G HA2 -0.384 3.591 3.960 0.025 0.000 0.233 660 G HA3 -0.384 3.591 3.960 0.025 0.000 0.233 660 G C 0.185 175.010 174.900 -0.124 0.000 1.053 660 G CA 0.487 45.479 45.100 -0.180 0.000 0.625 660 G HN 0.530 nan 8.290 nan 0.000 0.511 661 K N 2.410 122.784 120.400 -0.043 0.000 2.276 661 K HA 0.573 4.908 4.320 0.025 0.000 0.285 661 K C -2.705 173.884 176.600 -0.019 0.000 1.062 661 K CA -1.983 54.279 56.287 -0.042 0.000 0.918 661 K CB 1.250 33.737 32.500 -0.022 0.000 1.055 661 K HN 0.138 nan 8.250 nan 0.000 0.477 662 P HA 0.044 nan 4.420 nan 0.000 0.271 662 P C -0.295 176.999 177.300 -0.012 0.000 1.220 662 P CA -0.020 63.058 63.100 -0.037 0.000 0.768 662 P CB 0.585 32.239 31.700 -0.078 0.000 0.848 663 L N 1.355 122.590 121.223 0.020 0.000 2.948 663 L HA 0.557 4.912 4.340 0.025 0.000 0.259 663 L C 0.629 177.525 176.870 0.043 0.000 1.136 663 L CA 0.026 54.886 54.840 0.035 0.000 0.959 663 L CB 0.442 42.539 42.059 0.063 0.000 1.370 663 L HN 0.347 nan 8.230 nan 0.000 0.552 664 A N 0.321 123.165 122.820 0.040 0.000 2.573 664 A HA 0.603 4.938 4.320 0.025 0.000 0.299 664 A C -0.618 176.849 177.584 -0.195 0.000 1.060 664 A CA -0.039 52.013 52.037 0.025 0.000 0.736 664 A CB 1.391 20.529 19.000 0.229 0.000 1.280 664 A HN 0.045 nan 8.150 nan 0.000 0.401 665 S N 0.916 116.304 115.700 -0.519 0.000 2.740 665 S HA 1.027 5.512 4.470 0.025 0.000 0.300 665 S C 0.051 173.756 174.600 -1.492 0.000 1.147 665 S CA 0.029 57.625 58.200 -1.007 0.000 0.871 665 S CB 1.712 64.582 63.200 -0.549 0.000 1.173 665 S HN 2.723 nan 8.310 nan 0.000 0.510 666 G N -0.266 107.605 108.800 -1.548 0.000 2.313 666 G HA2 0.513 4.488 3.960 0.025 0.000 0.296 666 G HA3 0.513 4.488 3.960 0.025 0.000 0.296 666 G C -2.439 172.096 174.900 -0.608 0.000 1.356 666 G CA -0.818 43.726 45.100 -0.925 0.000 0.833 666 G HN 0.849 nan 8.290 nan 0.000 0.552 667 E N -1.376 118.828 120.200 0.006 0.000 2.352 667 E HA 0.593 4.958 4.350 0.025 0.000 0.280 667 E C -1.297 175.483 176.600 0.301 0.000 0.930 667 E CA -0.877 55.666 56.400 0.238 0.000 0.765 667 E CB 3.058 32.865 29.700 0.179 0.000 1.219 667 E HN 0.461 nan 8.360 nan 0.000 0.434 668 V N 2.059 122.160 119.914 0.312 0.000 2.789 668 V HA 0.522 4.657 4.120 0.025 0.000 0.311 668 V C -2.509 173.683 176.094 0.163 0.000 1.073 668 V CA -2.157 60.274 62.300 0.218 0.000 0.921 668 V CB 2.196 34.146 31.823 0.212 0.000 1.009 668 V HN 0.543 nan 8.190 nan 0.000 0.426 669 P HA 0.413 nan 4.420 nan 0.000 0.284 669 P C -0.899 176.446 177.300 0.075 0.000 1.253 669 P CA -0.345 62.807 63.100 0.087 0.000 0.800 669 P CB 0.738 32.483 31.700 0.075 0.000 0.961 670 L N 2.893 124.143 121.223 0.046 0.000 2.292 670 L HA 0.346 4.701 4.340 0.025 0.000 0.284 670 L C 0.326 177.235 176.870 0.065 0.000 1.065 670 L CA 0.129 54.988 54.840 0.031 0.000 0.806 670 L CB 0.756 42.772 42.059 -0.071 0.000 1.175 670 L HN 0.346 nan 8.230 nan 0.000 0.431 671 D N 3.288 123.741 120.400 0.088 0.000 2.468 671 D HA 0.321 4.976 4.640 0.025 0.000 0.272 671 D C -1.207 175.180 176.300 0.145 0.000 1.221 671 D CA -0.180 53.898 54.000 0.130 0.000 0.860 671 D CB 0.876 41.748 40.800 0.119 0.000 1.190 671 D HN 0.040 nan 8.370 nan 0.000 0.509 672 V N 1.178 121.178 119.914 0.143 0.000 2.555 672 V HA 0.869 5.004 4.120 0.025 0.000 0.302 672 V C 0.875 176.910 176.094 -0.098 0.000 1.038 672 V CA -1.209 61.143 62.300 0.088 0.000 0.887 672 V CB 1.274 33.200 31.823 0.173 0.000 0.991 672 V HN 0.515 nan 8.190 nan 0.000 0.434 673 A N 6.218 128.859 122.820 -0.298 0.000 2.313 673 A HA 0.727 5.062 4.320 0.025 0.000 0.261 673 A C -2.315 175.069 177.584 -0.334 0.000 1.090 673 A CA -1.570 49.980 52.037 -0.812 0.000 0.807 673 A CB -0.173 18.587 19.000 -0.400 0.000 1.055 673 A HN 0.695 nan 8.150 nan 0.000 0.492 674 P HA -0.018 nan 4.420 nan 0.000 0.261 674 P C -0.401 176.838 177.300 -0.101 0.000 1.173 674 P CA 0.671 63.709 63.100 -0.104 0.000 0.760 674 P CB 0.459 32.106 31.700 -0.088 0.000 0.783 675 Q N -1.160 118.587 119.800 -0.089 0.000 2.348 675 Q HA -0.177 4.178 4.340 0.025 0.000 0.221 675 Q C 0.768 176.733 176.000 -0.059 0.000 0.735 675 Q CA 1.859 57.610 55.803 -0.087 0.000 1.351 675 Q CB -2.397 26.284 28.738 -0.095 0.000 1.640 675 Q HN 0.784 nan 8.270 nan 0.000 0.667 676 G N 0.033 108.804 108.800 -0.048 0.000 2.535 676 G HA2 0.546 4.521 3.960 0.025 0.000 0.303 676 G HA3 0.546 4.521 3.960 0.025 0.000 0.303 676 G C -0.197 174.706 174.900 0.005 0.000 1.237 676 G CA -0.549 44.536 45.100 -0.024 0.000 0.986 676 G HN -0.011 nan 8.290 nan 0.000 0.494 677 K N -0.734 119.676 120.400 0.016 0.000 2.295 677 K HA 0.538 4.873 4.320 0.025 0.000 0.239 677 K C -0.829 175.798 176.600 0.045 0.000 0.991 677 K CA -0.637 55.668 56.287 0.030 0.000 0.845 677 K CB 2.353 34.864 32.500 0.019 0.000 1.197 677 K HN 0.565 nan 8.250 nan 0.000 0.441 678 Q N 2.109 121.941 119.800 0.055 0.000 2.320 678 Q HA 0.374 4.729 4.340 0.025 0.000 0.272 678 Q C -1.874 174.160 176.000 0.057 0.000 1.023 678 Q CA -0.634 55.205 55.803 0.060 0.000 0.855 678 Q CB 1.481 30.265 28.738 0.076 0.000 1.367 678 Q HN 0.525 nan 8.270 nan 0.000 0.406 679 L N 4.132 125.380 121.223 0.042 0.000 2.325 679 L HA 0.647 5.002 4.340 0.025 0.000 0.278 679 L C -0.470 176.414 176.870 0.025 0.000 1.023 679 L CA -0.859 53.997 54.840 0.027 0.000 0.811 679 L CB 1.672 43.735 42.059 0.007 0.000 1.249 679 L HN 0.576 nan 8.230 nan 0.000 0.431 680 I N 2.286 122.862 120.570 0.010 0.000 2.493 680 I HA 0.232 4.417 4.170 0.025 0.000 0.279 680 I C -0.268 175.802 176.117 -0.079 0.000 1.045 680 I CA -0.371 60.922 61.300 -0.011 0.000 1.106 680 I CB 1.827 39.840 38.000 0.021 0.000 1.216 680 I HN 0.627 nan 8.210 nan 0.000 0.459 681 E N 7.137 127.288 120.200 -0.081 0.000 2.259 681 E HA 0.413 4.778 4.350 0.025 0.000 0.281 681 E C -1.089 175.403 176.600 -0.179 0.000 1.027 681 E CA -0.385 55.945 56.400 -0.117 0.000 0.838 681 E CB 1.373 31.027 29.700 -0.075 0.000 1.066 681 E HN 0.533 nan 8.360 nan 0.000 0.401 682 L N 5.434 126.509 121.223 -0.247 0.000 2.399 682 L HA 0.392 4.747 4.340 0.025 0.000 0.265 682 L C -1.820 174.919 176.870 -0.218 0.000 1.089 682 L CA -2.020 52.610 54.840 -0.351 0.000 0.802 682 L CB 0.846 42.586 42.059 -0.531 0.000 1.180 682 L HN 0.432 nan 8.230 nan 0.000 0.454 683 P HA -0.013 nan 4.420 nan 0.000 0.275 683 P C -0.592 176.673 177.300 -0.059 0.000 1.270 683 P CA -0.476 62.581 63.100 -0.072 0.000 0.791 683 P CB 0.325 32.037 31.700 0.020 0.000 1.089 684 E N 0.424 120.617 120.200 -0.013 0.000 2.465 684 E HA -0.021 4.344 4.350 0.025 0.000 0.260 684 E C -0.696 175.909 176.600 0.009 0.000 0.980 684 E CA 0.284 56.680 56.400 -0.006 0.000 0.927 684 E CB -0.038 29.668 29.700 0.009 0.000 0.934 684 E HN 0.323 nan 8.360 nan 0.000 0.459 685 L N 7.831 129.054 121.223 -0.001 0.000 2.719 685 L HA 0.207 4.562 4.340 0.025 0.000 0.236 685 L C -1.975 174.918 176.870 0.038 0.000 1.221 685 L CA -1.730 53.126 54.840 0.026 0.000 1.048 685 L CB 0.817 42.883 42.059 0.012 0.000 1.364 685 L HN 0.439 nan 8.230 nan 0.000 0.447 686 P HA -0.250 nan 4.420 nan 0.000 0.210 686 P C -0.156 177.164 177.300 0.034 0.000 0.974 686 P CA 0.574 63.698 63.100 0.040 0.000 0.899 686 P CB 0.057 31.790 31.700 0.054 0.000 0.907 687 Q N 3.859 123.672 119.800 0.023 0.000 2.469 687 Q HA 0.169 4.524 4.340 0.025 0.000 0.279 687 Q C -1.621 174.393 176.000 0.024 0.000 1.097 687 Q CA 0.250 56.065 55.803 0.019 0.000 0.951 687 Q CB -0.126 28.619 28.738 0.011 0.000 1.297 687 Q HN 0.430 nan 8.270 nan 0.000 0.465 688 P HA 0.196 nan 4.420 nan 0.000 0.292 688 P C -0.891 176.422 177.300 0.022 0.000 1.313 688 P CA -0.627 62.489 63.100 0.027 0.000 0.965 688 P CB 1.373 33.094 31.700 0.035 0.000 1.303 689 E N 0.628 120.842 120.200 0.023 0.000 1.949 689 E HA -0.073 4.292 4.350 0.025 0.000 0.205 689 E C 0.585 177.199 176.600 0.023 0.000 0.957 689 E CA 0.408 56.821 56.400 0.021 0.000 0.886 689 E CB -1.288 28.424 29.700 0.021 0.000 0.824 689 E HN 0.521 nan 8.360 nan 0.000 0.555 690 S N 1.022 116.738 115.700 0.027 0.000 2.559 690 S HA 0.244 4.729 4.470 0.025 0.000 0.282 690 S C 0.365 174.985 174.600 0.033 0.000 1.336 690 S CA -0.555 57.663 58.200 0.030 0.000 1.037 690 S CB 0.601 63.821 63.200 0.034 0.000 0.853 690 S HN 0.604 nan 8.310 nan 0.000 0.523 691 A N 2.201 125.041 122.820 0.033 0.000 2.366 691 A HA 0.699 5.034 4.320 0.025 0.000 0.250 691 A C 1.063 178.674 177.584 0.044 0.000 1.099 691 A CA 0.190 52.247 52.037 0.033 0.000 0.794 691 A CB -0.820 18.201 19.000 0.034 0.000 1.056 691 A HN 2.479 nan 8.150 nan 0.000 0.499 692 G N -1.169 107.654 108.800 0.039 0.000 2.354 692 G HA2 0.396 4.371 3.960 0.025 0.000 0.582 692 G HA3 0.396 4.371 3.960 0.025 0.000 0.582 692 G C -0.942 173.976 174.900 0.029 0.000 1.316 692 G CA -0.111 45.023 45.100 0.056 0.000 0.995 692 G HN 1.164 nan 8.290 nan 0.000 0.573 693 Q N -0.093 119.735 119.800 0.046 0.000 2.303 693 Q HA 0.688 5.043 4.340 0.025 0.000 0.257 693 Q C -0.033 175.968 176.000 0.002 0.000 0.941 693 Q CA -0.469 55.298 55.803 -0.060 0.000 0.931 693 Q CB 0.996 29.629 28.738 -0.175 0.000 1.215 693 Q HN 0.554 nan 8.270 nan 0.000 0.437 694 L N 4.685 125.855 121.223 -0.089 0.000 2.326 694 L HA 0.432 4.787 4.340 0.025 0.000 0.278 694 L C -0.853 175.950 176.870 -0.111 0.000 1.092 694 L CA -0.434 54.417 54.840 0.018 0.000 0.810 694 L CB 0.646 42.713 42.059 0.013 0.000 1.153 694 L HN 0.726 nan 8.230 nan 0.000 0.439 695 W N 4.481 125.845 121.300 0.105 0.000 2.702 695 W HA 0.485 5.159 4.660 0.025 0.000 0.331 695 W C -0.673 175.954 176.519 0.180 0.000 1.049 695 W CA -0.562 56.869 57.345 0.144 0.000 1.230 695 W CB 1.573 31.137 29.460 0.173 0.000 1.408 695 W HN 0.119 nan 8.180 nan 0.000 0.492 696 L N 3.183 124.696 121.223 0.483 0.000 2.307 696 L HA 0.804 5.159 4.340 0.025 0.000 0.284 696 L C -0.416 176.752 176.870 0.497 0.000 1.023 696 L CA -0.037 55.075 54.840 0.453 0.000 0.810 696 L CB 1.471 43.769 42.059 0.398 0.000 1.231 696 L HN 0.351 nan 8.230 nan 0.000 0.423 697 T N 5.147 119.941 114.554 0.401 0.000 2.879 697 T HA 0.641 5.006 4.350 0.025 0.000 0.290 697 T C -0.798 174.085 174.700 0.306 0.000 0.993 697 T CA -0.432 61.845 62.100 0.296 0.000 0.975 697 T CB 1.445 70.426 68.868 0.188 0.000 0.981 697 T HN 0.660 nan 8.240 nan 0.000 0.439 698 V N 1.816 121.874 119.914 0.240 0.000 2.769 698 V HA 0.896 5.031 4.120 0.025 0.000 0.312 698 V C -0.791 175.369 176.094 0.110 0.000 1.061 698 V CA -1.079 61.335 62.300 0.189 0.000 0.931 698 V CB 2.062 33.982 31.823 0.160 0.000 1.010 698 V HN 0.816 nan 8.190 nan 0.000 0.433 699 R N 2.182 122.770 120.500 0.146 0.000 2.698 699 R HA 0.804 5.159 4.340 0.025 0.000 0.275 699 R C -1.721 174.663 176.300 0.140 0.000 1.001 699 R CA -0.667 55.540 56.100 0.178 0.000 0.896 699 R CB 2.734 33.119 30.300 0.143 0.000 1.218 699 R HN 0.723 nan 8.270 nan 0.000 0.462 700 V N 3.542 123.572 119.914 0.193 0.000 2.370 700 V HA 0.418 4.553 4.120 0.025 0.000 0.283 700 V C -0.471 175.666 176.094 0.073 0.000 1.023 700 V CA -0.611 61.766 62.300 0.128 0.000 0.857 700 V CB 1.652 33.603 31.823 0.214 0.000 0.985 700 V HN 0.432 nan 8.190 nan 0.000 0.443 701 V N 5.062 124.938 119.914 -0.064 0.000 2.581 701 V HA 0.474 4.610 4.120 0.025 0.000 0.303 701 V C -0.357 175.723 176.094 -0.022 0.000 1.041 701 V CA -0.834 61.416 62.300 -0.083 0.000 0.907 701 V CB 1.884 33.528 31.823 -0.299 0.000 0.994 701 V HN 0.897 nan 8.190 nan 0.000 0.442 702 Q N 4.982 124.813 119.800 0.053 0.000 2.400 702 Q HA 0.305 4.660 4.340 0.025 0.000 0.255 702 Q C -1.826 174.186 176.000 0.021 0.000 1.008 702 Q CA -1.835 54.005 55.803 0.062 0.000 0.841 702 Q CB 2.034 30.838 28.738 0.109 0.000 1.220 702 Q HN 0.477 nan 8.270 nan 0.000 0.474 703 P HA -0.205 nan 4.420 nan 0.000 0.217 703 P C -0.545 176.752 177.300 -0.004 0.000 1.150 703 P CA 1.228 64.331 63.100 0.005 0.000 0.832 703 P CB 0.314 32.021 31.700 0.013 0.000 0.787 704 N N -0.618 118.072 118.700 -0.017 0.000 2.456 704 N HA 0.453 5.208 4.740 0.025 0.000 0.296 704 N C -0.264 175.196 175.510 -0.083 0.000 1.102 704 N CA -0.756 52.271 53.050 -0.038 0.000 0.924 704 N CB 1.128 39.595 38.487 -0.033 0.000 1.186 704 N HN -0.029 nan 8.380 nan 0.000 0.492 705 A N 0.662 123.427 122.820 -0.092 0.000 2.346 705 A HA 0.503 4.838 4.320 0.025 0.000 0.252 705 A C 0.576 178.033 177.584 -0.212 0.000 1.089 705 A CA -0.082 51.863 52.037 -0.153 0.000 0.797 705 A CB 0.113 19.048 19.000 -0.108 0.000 1.047 705 A HN 0.716 nan 8.150 nan 0.000 0.494 706 T N -3.411 110.926 114.554 -0.363 0.000 2.693 706 T HA 0.628 4.993 4.350 0.025 0.000 0.278 706 T C 0.916 175.431 174.700 -0.308 0.000 0.994 706 T CA 0.087 61.953 62.100 -0.390 0.000 1.033 706 T CB 1.033 69.410 68.868 -0.819 0.000 1.342 706 T HN 1.327 nan 8.240 nan 0.000 0.538 707 A N -0.258 122.467 122.820 -0.158 0.000 2.119 707 A HA 0.153 4.488 4.320 0.025 0.000 0.217 707 A C 1.658 179.350 177.584 0.180 0.000 1.153 707 A CA 0.852 52.916 52.037 0.044 0.000 0.692 707 A CB -0.826 18.247 19.000 0.122 0.000 0.799 707 A HN 0.898 nan 8.150 nan 0.000 0.458 708 W N -0.665 120.696 121.300 0.102 0.000 2.870 708 W HA 0.380 5.056 4.660 0.027 0.000 0.358 708 W C -0.245 176.258 176.519 -0.027 0.000 1.043 708 W CA 0.514 57.900 57.345 0.068 0.000 1.692 708 W CB -1.010 28.476 29.460 0.043 0.000 1.100 708 W HN 0.329 nan 8.180 nan 0.000 0.557 709 S N 0.361 115.565 115.700 -0.827 0.000 2.595 709 S HA 0.496 4.981 4.470 0.025 0.000 0.281 709 S C -0.654 173.711 174.600 -0.390 0.000 1.117 709 S CA -0.733 57.045 58.200 -0.703 0.000 0.873 709 S CB 2.864 65.289 63.200 -1.292 0.000 1.108 709 S HN 0.015 nan 8.310 nan 0.000 0.477 710 E N 0.582 120.669 120.200 -0.189 0.000 2.283 710 E HA 0.553 4.918 4.350 0.025 0.000 0.267 710 E C 0.208 176.775 176.600 -0.056 0.000 1.045 710 E CA -0.685 55.663 56.400 -0.085 0.000 0.884 710 E CB 1.719 31.414 29.700 -0.008 0.000 1.106 710 E HN 0.878 nan 8.360 nan 0.000 0.408 711 A N 0.402 123.198 122.820 -0.040 0.000 2.561 711 A HA 0.326 4.661 4.320 0.025 0.000 0.234 711 A C 1.173 178.768 177.584 0.018 0.000 1.055 711 A CA 1.028 53.055 52.037 -0.018 0.000 0.756 711 A CB -0.445 18.548 19.000 -0.011 0.000 0.986 711 A HN 0.807 nan 8.150 nan 0.000 0.505 712 G N 0.518 109.335 108.800 0.028 0.000 2.159 712 G HA2 -0.261 3.714 3.960 0.025 0.000 0.256 712 G HA3 -0.261 3.714 3.960 0.025 0.000 0.256 712 G C 0.203 175.137 174.900 0.057 0.000 0.977 712 G CA 0.801 45.922 45.100 0.035 0.000 0.652 712 G HN 1.802 nan 8.290 nan 0.000 0.531 713 H N 0.176 119.247 119.070 0.001 0.000 2.928 713 H HA 0.463 5.034 4.556 0.025 0.000 0.338 713 H C 0.660 176.049 175.328 0.102 0.000 1.047 713 H CA 0.267 56.343 56.048 0.047 0.000 1.435 713 H CB 0.232 30.005 29.762 0.018 0.000 1.428 713 H HN 0.269 nan 8.280 nan 0.000 0.590 714 I N 4.420 124.719 120.570 -0.452 0.000 2.315 714 I HA 0.053 4.238 4.170 0.025 0.000 0.291 714 I C 0.971 176.964 176.117 -0.207 0.000 1.006 714 I CA 0.138 61.325 61.300 -0.187 0.000 1.265 714 I CB 1.642 39.602 38.000 -0.066 0.000 1.387 714 I HN 0.803 nan 8.210 nan 0.000 0.475 715 S N 4.146 119.963 115.700 0.194 0.000 2.497 715 S HA 0.608 5.093 4.470 0.025 0.000 0.218 715 S C 0.500 175.384 174.600 0.474 0.000 1.023 715 S CA 0.129 58.593 58.200 0.439 0.000 0.913 715 S CB 0.508 64.075 63.200 0.612 0.000 0.800 715 S HN 0.709 nan 8.310 nan 0.000 0.505 716 A N 0.363 123.485 122.820 0.504 0.000 2.601 716 A HA 0.682 5.017 4.320 0.025 0.000 0.291 716 A C -1.919 176.000 177.584 0.559 0.000 1.075 716 A CA -0.789 51.516 52.037 0.445 0.000 0.671 716 A CB 0.378 19.705 19.000 0.544 0.000 1.277 716 A HN 1.013 nan 8.150 nan 0.000 0.417 717 W N -0.450 121.006 121.300 0.259 0.000 3.059 717 W HA 0.759 5.434 4.660 0.026 0.000 0.329 717 W C -1.354 175.170 176.519 0.008 0.000 1.246 717 W CA -0.475 56.896 57.345 0.043 0.000 1.190 717 W CB 1.034 30.502 29.460 0.014 0.000 1.423 717 W HN 1.080 nan 8.180 nan 0.000 0.571 718 Q N 1.345 121.119 119.800 -0.044 0.000 2.527 718 Q HA 0.452 4.807 4.340 0.025 0.000 0.280 718 Q C -1.843 173.922 176.000 -0.392 0.000 0.977 718 Q CA -0.469 55.160 55.803 -0.289 0.000 0.837 718 Q CB 2.571 30.981 28.738 -0.546 0.000 1.454 718 Q HN 0.639 nan 8.270 nan 0.000 0.387 719 Q N 1.616 121.149 119.800 -0.444 0.000 2.423 719 Q HA 0.682 5.037 4.340 0.025 0.000 0.278 719 Q C -1.442 174.387 176.000 -0.284 0.000 1.097 719 Q CA -0.644 55.068 55.803 -0.153 0.000 0.809 719 Q CB 1.737 30.572 28.738 0.163 0.000 1.391 719 Q HN 0.659 nan 8.270 nan 0.000 0.428 720 W N 1.390 122.860 121.300 0.283 0.000 3.107 720 W HA 0.483 5.158 4.660 0.025 0.000 0.331 720 W C -0.488 176.071 176.519 0.065 0.000 1.204 720 W CA -0.700 56.748 57.345 0.171 0.000 1.184 720 W CB 1.745 31.257 29.460 0.087 0.000 1.421 720 W HN 0.470 nan 8.180 nan 0.000 0.544 721 R N 1.609 122.129 120.500 0.034 0.000 2.308 721 R HA 0.479 4.834 4.340 0.025 0.000 0.305 721 R C 0.533 176.717 176.300 -0.193 0.000 1.053 721 R CA -0.173 55.645 56.100 -0.470 0.000 0.957 721 R CB 1.160 31.066 30.300 -0.656 0.000 1.022 721 R HN 0.295 nan 8.270 nan 0.000 0.461 722 L N 1.367 122.472 121.223 -0.196 0.000 2.793 722 L HA 0.534 4.889 4.340 0.025 0.000 0.188 722 L C 0.678 177.466 176.870 -0.136 0.000 1.949 722 L CA -0.994 53.783 54.840 -0.106 0.000 2.556 722 L CB -0.160 41.875 42.059 -0.040 0.000 2.898 722 L HN 0.604 nan 8.230 nan 0.000 0.621 723 A N 0.252 123.018 122.820 -0.090 0.000 2.448 723 A HA 0.159 4.494 4.320 0.025 0.000 0.239 723 A C -0.249 177.273 177.584 -0.104 0.000 1.080 723 A CA 0.284 52.271 52.037 -0.083 0.000 0.779 723 A CB 0.111 19.081 19.000 -0.049 0.000 1.026 723 A HN 0.625 nan 8.150 nan 0.000 0.499 724 E N 0.433 120.581 120.200 -0.087 0.000 2.248 724 E HA 0.361 4.726 4.350 0.025 0.000 0.267 724 E C -1.550 175.028 176.600 -0.038 0.000 0.877 724 E CA -0.714 55.640 56.400 -0.077 0.000 0.759 724 E CB 0.978 30.623 29.700 -0.092 0.000 1.182 724 E HN 0.702 nan 8.360 nan 0.000 0.418 725 N N 4.763 123.452 118.700 -0.019 0.000 2.531 725 N HA 0.271 5.026 4.740 0.025 0.000 0.268 725 N C -0.653 174.861 175.510 0.006 0.000 1.023 725 N CA -0.406 52.641 53.050 -0.004 0.000 0.896 725 N CB 1.361 39.851 38.487 0.005 0.000 1.233 725 N HN 0.463 nan 8.380 nan 0.000 0.512 726 L N 0.899 122.125 121.223 0.005 0.000 2.453 726 L HA 0.092 4.447 4.340 0.025 0.000 0.272 726 L C 1.303 178.186 176.870 0.022 0.000 1.182 726 L CA 0.162 55.011 54.840 0.015 0.000 0.858 726 L CB 0.502 42.569 42.059 0.013 0.000 1.120 726 L HN 0.402 nan 8.230 nan 0.000 0.474 727 S N 1.974 117.692 115.700 0.031 0.000 2.510 727 S HA 0.191 4.676 4.470 0.025 0.000 0.279 727 S C 0.581 175.198 174.600 0.028 0.000 1.284 727 S CA -0.769 57.450 58.200 0.031 0.000 1.059 727 S CB 0.717 63.941 63.200 0.039 0.000 0.901 727 S HN 0.472 nan 8.310 nan 0.000 0.491 728 V N 2.414 122.342 119.914 0.023 0.000 3.276 728 V HA 0.355 4.490 4.120 0.025 0.000 0.319 728 V C 0.477 176.583 176.094 0.019 0.000 1.427 728 V CA -0.040 62.272 62.300 0.020 0.000 1.102 728 V CB -0.624 31.209 31.823 0.016 0.000 1.020 728 V HN 0.828 nan 8.190 nan 0.000 0.456 729 T N 0.346 114.913 114.554 0.021 0.000 2.856 729 T HA 0.730 5.095 4.350 0.025 0.000 0.292 729 T C -0.447 174.264 174.700 0.019 0.000 0.980 729 T CA -0.422 61.689 62.100 0.019 0.000 1.091 729 T CB 1.866 70.745 68.868 0.018 0.000 0.936 729 T HN 0.187 nan 8.240 nan 0.000 0.503 730 L N 4.304 125.536 121.223 0.015 0.000 2.290 730 L HA 0.422 4.777 4.340 0.025 0.000 0.284 730 L C -1.656 175.219 176.870 0.009 0.000 1.078 730 L CA -1.609 53.239 54.840 0.012 0.000 0.815 730 L CB -0.206 41.858 42.059 0.009 0.000 1.162 730 L HN 0.572 nan 8.230 nan 0.000 0.435 731 P HA 0.226 nan 4.420 nan 0.000 0.269 731 P C -0.140 177.154 177.300 -0.011 0.000 1.209 731 P CA -0.456 62.646 63.100 0.004 0.000 0.776 731 P CB 0.539 32.245 31.700 0.010 0.000 0.876 732 A N 2.287 125.092 122.820 -0.024 0.000 2.557 732 A HA 0.310 4.645 4.320 0.025 0.000 0.257 732 A C 0.559 178.103 177.584 -0.066 0.000 1.148 732 A CA 0.469 52.476 52.037 -0.050 0.000 0.850 732 A CB -0.709 18.245 19.000 -0.077 0.000 1.089 732 A HN 0.663 nan 8.150 nan 0.000 0.525 733 A N 0.927 123.690 122.820 -0.096 0.000 2.343 733 A HA 0.520 4.855 4.320 0.025 0.000 0.305 733 A C 0.646 178.125 177.584 -0.175 0.000 1.308 733 A CA -0.097 51.885 52.037 -0.091 0.000 0.949 733 A CB -0.665 18.302 19.000 -0.055 0.000 1.148 733 A HN 0.899 nan 8.150 nan 0.000 0.545 734 S N 1.695 117.331 115.700 -0.107 0.000 2.573 734 S HA -0.016 4.469 4.470 0.025 0.000 0.297 734 S C 1.123 175.676 174.600 -0.077 0.000 1.280 734 S CA 0.262 58.401 58.200 -0.101 0.000 1.061 734 S CB 0.023 63.210 63.200 -0.022 0.000 0.812 734 S HN 0.832 nan 8.310 nan 0.000 0.500 735 H N 1.346 120.434 119.070 0.030 0.000 2.299 735 H HA 0.047 4.618 4.556 0.025 0.000 0.302 735 H C 1.353 176.698 175.328 0.029 0.000 1.078 735 H CA 1.283 57.347 56.048 0.027 0.000 1.323 735 H CB 0.178 29.955 29.762 0.026 0.000 1.381 735 H HN 0.670 nan 8.280 nan 0.000 0.498 736 A N 0.195 123.112 122.820 0.162 0.000 3.521 736 A HA 0.563 4.898 4.320 0.025 0.000 0.181 736 A C -1.095 176.537 177.584 0.081 0.000 1.386 736 A CA -0.411 51.692 52.037 0.110 0.000 0.873 736 A CB 0.659 19.719 19.000 0.101 0.000 1.634 736 A HN 0.176 nan 8.150 nan 0.000 0.551 737 I N 0.115 120.732 120.570 0.079 0.000 2.571 737 I HA 0.500 4.685 4.170 0.025 0.000 0.286 737 I C -2.670 173.503 176.117 0.094 0.000 1.134 737 I CA -2.262 59.079 61.300 0.068 0.000 1.052 737 I CB 1.947 39.983 38.000 0.059 0.000 1.237 737 I HN 0.358 nan 8.210 nan 0.000 0.435 738 P HA 0.029 nan 4.420 nan 0.000 0.265 738 P C -0.960 176.423 177.300 0.140 0.000 1.187 738 P CA 0.307 63.477 63.100 0.115 0.000 0.766 738 P CB 0.297 32.022 31.700 0.040 0.000 0.820 739 H N 2.951 122.074 119.070 0.089 0.000 2.552 739 H HA 0.287 4.858 4.556 0.025 0.000 0.311 739 H C -0.660 174.711 175.328 0.072 0.000 1.071 739 H CA -0.903 55.184 56.048 0.065 0.000 1.307 739 H CB 0.956 30.751 29.762 0.055 0.000 1.416 739 H HN 0.232 nan 8.280 nan 0.000 0.464 740 L N 5.087 125.839 121.223 -0.784 0.000 2.326 740 L HA 0.281 4.636 4.340 0.025 0.000 0.278 740 L C -0.667 175.846 176.870 -0.595 0.000 1.092 740 L CA 0.067 54.601 54.840 -0.511 0.000 0.810 740 L CB 1.383 43.255 42.059 -0.313 0.000 1.153 740 L HN 0.586 nan 8.230 nan 0.000 0.439 741 T N 2.825 117.278 114.554 -0.168 0.000 3.038 741 T HA 0.285 4.650 4.350 0.025 0.000 0.344 741 T C -0.351 174.423 174.700 0.124 0.000 1.054 741 T CA -0.491 61.611 62.100 0.002 0.000 1.092 741 T CB 0.459 69.382 68.868 0.090 0.000 1.031 741 T HN 0.674 nan 8.240 nan 0.000 0.482 742 T N 3.104 117.743 114.554 0.142 0.000 2.779 742 T HA 0.499 4.864 4.350 0.025 0.000 0.296 742 T C 0.523 175.297 174.700 0.122 0.000 0.938 742 T CA -0.437 61.800 62.100 0.227 0.000 1.119 742 T CB 0.639 69.662 68.868 0.257 0.000 0.891 742 T HN 0.643 nan 8.240 nan 0.000 0.526 743 S N 1.967 117.712 115.700 0.074 0.000 2.632 743 S HA 0.391 4.876 4.470 0.025 0.000 0.289 743 S C 0.933 175.499 174.600 -0.056 0.000 1.115 743 S CA -0.861 57.347 58.200 0.012 0.000 0.889 743 S CB 1.836 65.044 63.200 0.015 0.000 1.116 743 S HN 0.544 nan 8.310 nan 0.000 0.486 744 E N 0.595 120.769 120.200 -0.043 0.000 2.118 744 E HA -0.110 4.255 4.350 0.025 0.000 0.195 744 E C 1.367 177.900 176.600 -0.111 0.000 0.992 744 E CA 1.480 57.840 56.400 -0.067 0.000 0.804 744 E CB -0.146 29.533 29.700 -0.036 0.000 0.741 744 E HN 0.614 nan 8.360 nan 0.000 0.458 745 M N -0.007 119.541 119.600 -0.086 0.000 2.435 745 M HA 0.096 4.591 4.480 0.025 0.000 0.265 745 M C 0.135 176.365 176.300 -0.117 0.000 1.104 745 M CA 0.737 55.987 55.300 -0.083 0.000 1.140 745 M CB 0.002 32.585 32.600 -0.028 0.000 1.372 745 M HN -0.182 nan 8.290 nan 0.000 0.456 746 D N -1.474 118.847 120.400 -0.132 0.000 2.599 746 D HA 0.383 5.038 4.640 0.025 0.000 0.252 746 D C -1.447 174.795 176.300 -0.096 0.000 1.232 746 D CA -0.356 53.581 54.000 -0.105 0.000 0.819 746 D CB 1.995 42.821 40.800 0.043 0.000 1.401 746 D HN -0.068 nan 8.370 nan 0.000 0.429 747 F N 0.838 120.864 119.950 0.126 0.000 2.411 747 F HA 0.411 4.953 4.527 0.025 0.000 0.352 747 F C 0.211 176.135 175.800 0.206 0.000 1.123 747 F CA -0.701 57.362 58.000 0.104 0.000 1.044 747 F CB 1.250 40.258 39.000 0.013 0.000 1.135 747 F HN 0.002 nan 8.300 nan 0.000 0.461 748 C N 4.505 124.003 119.300 0.330 0.000 2.456 748 C HA 0.757 5.232 4.460 0.025 0.000 0.325 748 C C -0.259 174.875 174.990 0.239 0.000 1.217 748 C CA -0.879 58.315 59.018 0.294 0.000 1.687 748 C CB 1.252 29.107 27.740 0.190 0.000 2.270 748 C HN 0.619 nan 8.230 nan 0.000 0.499 749 I N 2.590 123.366 120.570 0.343 0.000 2.499 749 I HA 0.422 4.607 4.170 0.025 0.000 0.288 749 I C -0.510 175.883 176.117 0.460 0.000 1.048 749 I CA -0.045 61.455 61.300 0.334 0.000 1.062 749 I CB 1.670 39.859 38.000 0.314 0.000 1.238 749 I HN 0.584 nan 8.210 nan 0.000 0.426 750 E N 5.760 126.160 120.200 0.333 0.000 2.244 750 E HA 0.831 5.196 4.350 0.025 0.000 0.266 750 E C -1.325 175.473 176.600 0.329 0.000 0.914 750 E CA -0.736 55.832 56.400 0.280 0.000 0.794 750 E CB 2.658 32.454 29.700 0.161 0.000 1.210 750 E HN 0.429 nan 8.360 nan 0.000 0.414 751 L N 2.016 123.408 121.223 0.283 0.000 2.752 751 L HA 0.502 4.857 4.340 0.025 0.000 0.257 751 L C 0.272 177.230 176.870 0.147 0.000 0.968 751 L CA 0.412 55.411 54.840 0.265 0.000 0.953 751 L CB 0.747 43.049 42.059 0.404 0.000 1.286 751 L HN 0.673 nan 8.230 nan 0.000 0.443 752 G N 3.923 112.780 108.800 0.094 0.000 2.596 752 G HA2 -0.431 3.545 3.960 0.025 0.000 0.304 752 G HA3 -0.431 3.545 3.960 0.025 0.000 0.304 752 G C 0.627 175.531 174.900 0.008 0.000 1.189 752 G CA 0.651 45.779 45.100 0.047 0.000 0.986 752 G HN 1.037 nan 8.290 nan 0.000 0.548 753 N N 1.317 120.008 118.700 -0.016 0.000 2.412 753 N HA 0.074 4.829 4.740 0.025 0.000 0.184 753 N C 0.596 176.046 175.510 -0.101 0.000 1.101 753 N CA 0.975 53.994 53.050 -0.051 0.000 0.881 753 N CB 0.146 38.606 38.487 -0.045 0.000 0.969 753 N HN 0.703 nan 8.380 nan 0.000 0.459 754 K N 0.567 120.879 120.400 -0.147 0.000 2.172 754 K HA 0.356 4.691 4.320 0.025 0.000 0.276 754 K C -0.312 176.037 176.600 -0.418 0.000 1.013 754 K CA -0.519 55.528 56.287 -0.400 0.000 0.913 754 K CB 1.823 33.971 32.500 -0.588 0.000 1.055 754 K HN 0.029 nan 8.250 nan 0.000 0.461 755 R N 2.265 122.463 120.500 -0.503 0.000 2.673 755 R HA 0.377 4.732 4.340 0.025 0.000 0.281 755 R C -1.623 174.568 176.300 -0.181 0.000 0.991 755 R CA -0.620 55.391 56.100 -0.147 0.000 0.896 755 R CB 1.270 31.563 30.300 -0.011 0.000 1.201 755 R HN 0.602 nan 8.270 nan 0.000 0.457 756 W N 3.581 125.008 121.300 0.211 0.000 2.739 756 W HA 0.312 4.987 4.660 0.025 0.000 0.331 756 W C -0.788 175.830 176.519 0.165 0.000 1.049 756 W CA -0.638 56.774 57.345 0.112 0.000 1.234 756 W CB 2.170 31.700 29.460 0.116 0.000 1.404 756 W HN 0.491 nan 8.180 nan 0.000 0.477 757 Q N 2.990 122.913 119.800 0.205 0.000 2.333 757 Q HA 0.435 4.790 4.340 0.025 0.000 0.268 757 Q C -1.854 174.099 176.000 -0.077 0.000 1.007 757 Q CA -0.465 55.468 55.803 0.216 0.000 0.810 757 Q CB 1.352 30.308 28.738 0.362 0.000 1.264 757 Q HN 0.325 nan 8.270 nan 0.000 0.452 758 F N 2.954 122.985 119.950 0.135 0.000 2.436 758 F HA 0.294 4.836 4.527 0.025 0.000 0.340 758 F C 0.480 176.307 175.800 0.046 0.000 1.113 758 F CA -0.946 57.098 58.000 0.074 0.000 1.022 758 F CB 1.203 40.245 39.000 0.070 0.000 1.128 758 F HN 0.556 nan 8.300 nan 0.000 0.466 759 N N 3.122 121.923 118.700 0.167 0.000 2.444 759 N HA 0.139 4.894 4.740 0.025 0.000 0.271 759 N C 0.699 176.218 175.510 0.014 0.000 1.069 759 N CA -0.505 52.594 53.050 0.082 0.000 0.965 759 N CB 0.809 39.348 38.487 0.087 0.000 1.092 759 N HN 0.626 nan 8.380 nan 0.000 0.476 760 R N 2.064 122.496 120.500 -0.113 0.000 2.307 760 R HA -0.017 4.338 4.340 0.025 0.000 0.199 760 R C 0.341 176.568 176.300 -0.122 0.000 1.000 760 R CA 0.530 56.508 56.100 -0.203 0.000 1.023 760 R CB -0.066 29.967 30.300 -0.445 0.000 0.908 760 R HN 0.527 nan 8.270 nan 0.000 0.473 761 Q N 1.251 121.014 119.800 -0.061 0.000 2.033 761 Q HA -0.061 4.294 4.340 0.025 0.000 0.196 761 Q C 2.334 178.317 176.000 -0.027 0.000 0.970 761 Q CA 2.169 57.951 55.803 -0.036 0.000 0.828 761 Q CB -0.325 28.414 28.738 0.002 0.000 0.895 761 Q HN 0.382 nan 8.270 nan 0.000 0.440 762 S N -1.102 114.612 115.700 0.023 0.000 2.377 762 S HA 0.124 4.609 4.470 0.025 0.000 0.223 762 S C 1.600 176.087 174.600 -0.189 0.000 1.030 762 S CA 0.961 59.195 58.200 0.058 0.000 0.970 762 S CB -0.200 63.182 63.200 0.305 0.000 0.830 762 S HN 0.564 nan 8.310 nan 0.000 0.473 763 G N 0.139 108.851 108.800 -0.146 0.000 2.141 763 G HA2 -0.178 3.797 3.960 0.025 0.000 0.231 763 G HA3 -0.178 3.797 3.960 0.025 0.000 0.231 763 G C -0.092 174.727 174.900 -0.134 0.000 0.984 763 G CA 0.120 45.118 45.100 -0.169 0.000 0.660 763 G HN 0.538 nan 8.290 nan 0.000 0.525 764 F N -0.875 119.264 119.950 0.316 0.000 2.522 764 F HA 0.648 5.190 4.527 0.025 0.000 0.324 764 F C 0.534 176.345 175.800 0.018 0.000 1.077 764 F CA -1.387 56.740 58.000 0.212 0.000 0.944 764 F CB 1.695 40.776 39.000 0.136 0.000 1.175 764 F HN 0.030 nan 8.300 nan 0.000 0.468 765 L N 2.538 123.775 121.223 0.023 0.000 2.433 765 L HA 0.165 4.520 4.340 0.025 0.000 0.284 765 L C 1.075 177.816 176.870 -0.215 0.000 1.120 765 L CA 0.362 54.856 54.840 -0.577 0.000 0.879 765 L CB 0.306 41.869 42.059 -0.826 0.000 1.232 765 L HN 0.743 nan 8.230 nan 0.000 0.454 766 S N 2.586 118.177 115.700 -0.182 0.000 2.425 766 S HA 0.096 4.581 4.470 0.025 0.000 0.225 766 S C 0.677 175.164 174.600 -0.190 0.000 1.024 766 S CA 0.296 58.442 58.200 -0.090 0.000 0.951 766 S CB -0.070 63.127 63.200 -0.006 0.000 0.796 766 S HN 0.699 nan 8.310 nan 0.000 0.498 767 Q N -0.437 119.193 119.800 -0.283 0.000 2.522 767 Q HA 0.674 5.029 4.340 0.025 0.000 0.285 767 Q C -1.959 173.702 176.000 -0.566 0.000 0.982 767 Q CA -0.425 55.088 55.803 -0.483 0.000 0.805 767 Q CB 1.609 29.974 28.738 -0.622 0.000 1.457 767 Q HN 0.399 nan 8.270 nan 0.000 0.394 768 M N 1.498 120.644 119.600 -0.757 0.000 2.501 768 M HA 0.595 5.090 4.480 0.025 0.000 0.293 768 M C -1.470 174.368 176.300 -0.769 0.000 1.192 768 M CA -0.484 54.437 55.300 -0.632 0.000 0.886 768 M CB 2.254 34.535 32.600 -0.532 0.000 1.710 768 M HN 0.519 nan 8.290 nan 0.000 0.457 769 W N 3.196 124.280 121.300 -0.360 0.000 3.022 769 W HA 0.580 5.255 4.660 0.025 0.000 0.335 769 W C -1.395 174.931 176.519 -0.321 0.000 1.133 769 W CA -0.608 56.574 57.345 -0.271 0.000 1.219 769 W CB 1.725 31.055 29.460 -0.217 0.000 1.409 769 W HN 0.478 nan 8.180 nan 0.000 0.507 770 I N 3.412 123.982 120.570 -0.000 0.000 2.390 770 I HA 0.377 4.562 4.170 0.025 0.000 0.283 770 I C 0.912 177.024 176.117 -0.008 0.000 1.016 770 I CA 0.060 61.321 61.300 -0.065 0.000 1.151 770 I CB 0.899 38.830 38.000 -0.115 0.000 1.293 770 I HN 0.709 nan 8.210 nan 0.000 0.458 771 G N 6.420 115.207 108.800 -0.021 0.000 2.574 771 G HA2 -0.393 3.582 3.960 0.025 0.000 0.286 771 G HA3 -0.393 3.582 3.960 0.025 0.000 0.286 771 G C 0.459 175.375 174.900 0.026 0.000 1.212 771 G CA 0.860 45.952 45.100 -0.014 0.000 0.979 771 G HN 0.878 nan 8.290 nan 0.000 0.557 772 D N 0.316 120.738 120.400 0.036 0.000 2.348 772 D HA 0.119 4.774 4.640 0.025 0.000 0.211 772 D C 1.003 177.416 176.300 0.188 0.000 0.998 772 D CA 0.855 54.903 54.000 0.081 0.000 0.873 772 D CB 0.116 40.936 40.800 0.034 0.000 0.925 772 D HN 0.440 nan 8.370 nan 0.000 0.524 773 K N 1.391 121.861 120.400 0.116 0.000 2.383 773 K HA 0.133 4.468 4.320 0.025 0.000 0.286 773 K C -0.092 176.497 176.600 -0.018 0.000 1.051 773 K CA -0.161 56.160 56.287 0.057 0.000 0.974 773 K CB 1.016 33.511 32.500 -0.008 0.000 0.968 773 K HN 0.181 nan 8.250 nan 0.000 0.475 774 K N 2.302 122.615 120.400 -0.144 0.000 2.237 774 K HA 0.030 4.365 4.320 0.025 0.000 0.270 774 K C 1.079 177.486 176.600 -0.321 0.000 1.015 774 K CA -0.268 55.718 56.287 -0.502 0.000 0.949 774 K CB 0.814 33.038 32.500 -0.460 0.000 0.976 774 K HN 0.379 nan 8.250 nan 0.000 0.472 775 Q N 1.023 120.605 119.800 -0.364 0.000 2.378 775 Q HA 0.198 4.553 4.340 0.025 0.000 0.229 775 Q C 0.098 176.039 176.000 -0.099 0.000 0.882 775 Q CA 0.468 56.191 55.803 -0.133 0.000 0.936 775 Q CB 0.560 29.265 28.738 -0.056 0.000 1.092 775 Q HN 0.498 nan 8.270 nan 0.000 0.535 776 L N 0.843 121.941 121.223 -0.208 0.000 2.346 776 L HA 0.372 4.727 4.340 0.025 0.000 0.274 776 L C 0.974 177.722 176.870 -0.204 0.000 1.007 776 L CA -0.371 54.361 54.840 -0.180 0.000 0.818 776 L CB 1.684 43.625 42.059 -0.196 0.000 1.284 776 L HN -0.055 nan 8.230 nan 0.000 0.424 777 L N 0.615 121.708 121.223 -0.217 0.000 2.463 777 L HA 0.150 4.505 4.340 0.025 0.000 0.219 777 L C 0.751 177.505 176.870 -0.194 0.000 1.088 777 L CA 0.515 55.233 54.840 -0.203 0.000 0.849 777 L CB 0.362 42.285 42.059 -0.225 0.000 1.012 777 L HN 0.718 nan 8.230 nan 0.000 0.468 778 T N -2.020 112.394 114.554 -0.234 0.000 2.916 778 T HA 0.490 4.855 4.350 0.025 0.000 0.305 778 T C -2.880 171.743 174.700 -0.129 0.000 1.119 778 T CA -1.965 60.038 62.100 -0.163 0.000 1.008 778 T CB 2.466 71.268 68.868 -0.109 0.000 1.129 778 T HN -0.321 nan 8.240 nan 0.000 0.480 779 P HA 0.254 nan 4.420 nan 0.000 0.269 779 P C -0.526 176.723 177.300 -0.084 0.000 1.209 779 P CA -0.615 62.438 63.100 -0.078 0.000 0.776 779 P CB 0.285 31.956 31.700 -0.049 0.000 0.876 780 L N 4.481 125.695 121.223 -0.015 0.000 2.369 780 L HA 0.245 4.600 4.340 0.025 0.000 0.279 780 L C 0.396 177.250 176.870 -0.028 0.000 1.108 780 L CA 0.638 55.515 54.840 0.061 0.000 0.852 780 L CB -0.502 41.696 42.059 0.232 0.000 1.169 780 L HN 0.401 nan 8.230 nan 0.000 0.452 781 R N 2.087 122.512 120.500 -0.124 0.000 2.707 781 R HA 0.504 4.859 4.340 0.025 0.000 0.272 781 R C -1.163 175.074 176.300 -0.105 0.000 1.011 781 R CA -1.085 54.858 56.100 -0.262 0.000 0.893 781 R CB 0.641 30.425 30.300 -0.860 0.000 1.233 781 R HN 0.456 nan 8.270 nan 0.000 0.464 782 D N 1.361 121.770 120.400 0.015 0.000 2.478 782 D HA -0.057 4.598 4.640 0.025 0.000 0.234 782 D C -0.460 175.473 176.300 -0.613 0.000 1.154 782 D CA 0.687 54.504 54.000 -0.304 0.000 0.874 782 D CB 0.618 41.155 40.800 -0.439 0.000 1.198 782 D HN 0.342 nan 8.370 nan 0.000 0.455 783 Q N 1.189 120.422 119.800 -0.946 0.000 2.323 783 Q HA 0.361 4.716 4.340 0.025 0.000 0.271 783 Q C -1.237 173.988 176.000 -1.291 0.000 1.048 783 Q CA -0.667 54.603 55.803 -0.888 0.000 0.792 783 Q CB 0.869 29.324 28.738 -0.471 0.000 1.280 783 Q HN 0.571 nan 8.270 nan 0.000 0.441 784 F N 0.663 120.207 119.950 -0.676 0.000 2.781 784 F HA 0.193 4.735 4.527 0.025 0.000 0.322 784 F C 0.448 175.800 175.800 -0.747 0.000 1.108 784 F CA -0.222 57.275 58.000 -0.839 0.000 1.179 784 F CB 1.507 39.666 39.000 -1.401 0.000 1.072 784 F HN 0.424 nan 8.300 nan 0.000 0.545 785 T N -0.874 113.368 114.554 -0.520 0.000 2.907 785 T HA 0.803 5.168 4.350 0.025 0.000 0.290 785 T C -0.605 173.848 174.700 -0.412 0.000 1.066 785 T CA -0.970 60.767 62.100 -0.604 0.000 1.012 785 T CB 2.861 71.341 68.868 -0.647 0.000 1.184 785 T HN 0.253 nan 8.240 nan 0.000 0.522 786 R N -0.314 119.989 120.500 -0.329 0.000 2.740 786 R HA 0.743 5.098 4.340 0.025 0.000 0.273 786 R C -1.046 175.305 176.300 0.085 0.000 0.998 786 R CA -1.196 54.837 56.100 -0.111 0.000 0.900 786 R CB 1.509 31.742 30.300 -0.111 0.000 1.223 786 R HN 0.842 nan 8.270 nan 0.000 0.466 787 A N 3.464 126.321 122.820 0.061 0.000 2.473 787 A HA 0.297 4.632 4.320 0.025 0.000 0.282 787 A C -2.023 175.628 177.584 0.111 0.000 1.163 787 A CA -1.354 50.718 52.037 0.058 0.000 0.827 787 A CB -0.541 18.443 19.000 -0.026 0.000 1.098 787 A HN 0.514 nan 8.150 nan 0.000 0.515 788 P HA -0.005 nan 4.420 nan 0.000 0.259 788 P C -0.131 177.298 177.300 0.214 0.000 1.163 788 P CA 0.642 63.914 63.100 0.287 0.000 0.760 788 P CB 0.193 32.087 31.700 0.324 0.000 0.762 789 L N 2.823 124.142 121.223 0.160 0.000 2.475 789 L HA 0.128 4.483 4.340 0.025 0.000 0.253 789 L C 1.796 178.716 176.870 0.083 0.000 1.198 789 L CA -0.327 54.545 54.840 0.052 0.000 0.814 789 L CB 0.050 42.076 42.059 -0.056 0.000 1.134 789 L HN 0.304 nan 8.230 nan 0.000 0.478 790 D N 0.295 120.702 120.400 0.011 0.000 2.144 790 D HA -0.148 4.507 4.640 0.025 0.000 0.199 790 D C 1.621 177.925 176.300 0.007 0.000 0.984 790 D CA 1.297 55.278 54.000 -0.031 0.000 0.834 790 D CB 0.010 40.760 40.800 -0.083 0.000 0.955 790 D HN 0.473 nan 8.370 nan 0.000 0.465 791 N N 1.094 119.791 118.700 -0.005 0.000 2.309 791 N HA -0.111 4.644 4.740 0.025 0.000 0.182 791 N C 1.182 176.722 175.510 0.050 0.000 1.018 791 N CA 0.724 53.781 53.050 0.012 0.000 0.876 791 N CB -0.156 38.322 38.487 -0.016 0.000 0.972 791 N HN 0.266 nan 8.380 nan 0.000 0.434 792 D N 0.481 120.926 120.400 0.074 0.000 2.194 792 D HA 0.044 4.699 4.640 0.025 0.000 0.204 792 D C 2.074 178.421 176.300 0.078 0.000 0.964 792 D CA 0.325 54.390 54.000 0.109 0.000 0.846 792 D CB 0.083 41.028 40.800 0.243 0.000 0.962 792 D HN 0.276 nan 8.370 nan 0.000 0.490 793 I N 0.495 121.109 120.570 0.074 0.000 2.193 793 I HA -0.022 4.163 4.170 0.025 0.000 0.240 793 I C 1.835 177.954 176.117 0.004 0.000 1.084 793 I CA 1.056 62.380 61.300 0.040 0.000 1.365 793 I CB -0.427 37.581 38.000 0.013 0.000 1.064 793 I HN 0.121 nan 8.210 nan 0.000 0.410 794 G N 0.514 109.321 108.800 0.013 0.000 2.509 794 G HA2 -0.299 3.676 3.960 0.025 0.000 0.259 794 G HA3 -0.299 3.676 3.960 0.025 0.000 0.259 794 G C 0.373 175.270 174.900 -0.005 0.000 1.169 794 G CA 0.326 45.441 45.100 0.025 0.000 0.953 794 G HN 0.684 nan 8.290 nan 0.000 0.563 795 V N -2.522 117.371 119.914 -0.036 0.000 3.039 795 V HA 0.707 4.842 4.120 0.025 0.000 0.369 795 V C 1.076 177.110 176.094 -0.101 0.000 1.344 795 V CA 1.080 63.310 62.300 -0.116 0.000 1.270 795 V CB 0.476 32.175 31.823 -0.207 0.000 1.284 795 V HN 1.466 nan 8.190 nan 0.000 0.518 796 S N 1.548 117.207 115.700 -0.067 0.000 3.829 796 S HA 0.193 4.678 4.470 0.025 0.000 0.250 796 S C 0.632 175.205 174.600 -0.045 0.000 1.263 796 S CA -0.057 58.111 58.200 -0.053 0.000 0.955 796 S CB -0.718 62.459 63.200 -0.038 0.000 1.611 796 S HN 0.824 nan 8.310 nan 0.000 0.483 797 E N 1.611 121.778 120.200 -0.055 0.000 3.056 797 E HA 0.405 4.770 4.350 0.025 0.000 0.275 797 E C 1.312 177.900 176.600 -0.020 0.000 1.468 797 E CA 0.493 56.868 56.400 -0.042 0.000 1.219 797 E CB 0.209 29.876 29.700 -0.054 0.000 1.119 797 E HN 0.583 nan 8.360 nan 0.000 0.710 798 A N -0.527 122.287 122.820 -0.011 0.000 1.993 798 A HA -0.038 4.297 4.320 0.025 0.000 0.207 798 A C 2.025 179.604 177.584 -0.008 0.000 1.224 798 A CA 1.181 53.218 52.037 0.000 0.000 0.749 798 A CB -0.510 18.498 19.000 0.014 0.000 0.884 798 A HN 0.619 nan 8.150 nan 0.000 0.467 799 T N -2.429 112.115 114.554 -0.018 0.000 2.937 799 T HA 0.061 4.426 4.350 0.025 0.000 0.260 799 T C 0.999 175.678 174.700 -0.036 0.000 1.051 799 T CA 0.480 62.565 62.100 -0.025 0.000 1.141 799 T CB -0.093 68.758 68.868 -0.028 0.000 0.879 799 T HN 0.122 nan 8.240 nan 0.000 0.459 800 R N 1.856 122.327 120.500 -0.047 0.000 2.860 800 R HA 0.392 4.747 4.340 0.025 0.000 0.282 800 R C -0.493 175.773 176.300 -0.055 0.000 1.408 800 R CA -0.496 55.568 56.100 -0.060 0.000 1.636 800 R CB 0.027 30.277 30.300 -0.085 0.000 1.187 800 R HN 0.450 nan 8.270 nan 0.000 0.611 801 I N 1.620 122.165 120.570 -0.043 0.000 2.683 801 I HA -0.125 4.060 4.170 0.025 0.000 0.286 801 I C 0.595 176.681 176.117 -0.053 0.000 1.175 801 I CA 0.602 61.878 61.300 -0.040 0.000 1.429 801 I CB 0.506 38.488 38.000 -0.029 0.000 1.371 801 I HN 0.268 nan 8.210 nan 0.000 0.569 802 D N 9.590 129.954 120.400 -0.059 0.000 2.493 802 D HA 0.272 4.927 4.640 0.025 0.000 0.235 802 D C -1.449 174.795 176.300 -0.094 0.000 1.117 802 D CA -2.035 51.921 54.000 -0.074 0.000 0.930 802 D CB 1.023 41.779 40.800 -0.074 0.000 1.010 802 D HN 0.175 nan 8.370 nan 0.000 0.514 803 P HA -0.218 nan 4.420 nan 0.000 0.218 803 P C 0.939 178.138 177.300 -0.167 0.000 1.150 803 P CA 1.059 64.094 63.100 -0.109 0.000 0.841 803 P CB 0.367 32.011 31.700 -0.092 0.000 0.784 804 N N -0.665 117.931 118.700 -0.174 0.000 2.376 804 N HA 0.071 4.826 4.740 0.025 0.000 0.177 804 N C 0.511 175.817 175.510 -0.339 0.000 1.024 804 N CA 0.295 53.196 53.050 -0.249 0.000 0.893 804 N CB -0.597 37.773 38.487 -0.195 0.000 0.980 804 N HN 0.030 nan 8.380 nan 0.000 0.439 805 A N -0.449 122.226 122.820 -0.241 0.000 2.531 805 A HA -0.029 4.306 4.320 0.025 0.000 0.236 805 A C 0.764 178.135 177.584 -0.356 0.000 1.062 805 A CA -0.151 51.749 52.037 -0.228 0.000 0.760 805 A CB -0.206 18.727 19.000 -0.112 0.000 0.995 805 A HN 0.512 nan 8.150 nan 0.000 0.501 806 W N 1.773 122.805 121.300 -0.445 0.000 2.318 806 W HA -0.184 4.491 4.660 0.025 0.000 0.313 806 W C 2.257 178.183 176.519 -0.989 0.000 1.221 806 W CA 1.784 58.584 57.345 -0.907 0.000 1.266 806 W CB -0.406 28.365 29.460 -1.148 0.000 1.150 806 W HN 0.566 nan 8.180 nan 0.000 0.496 807 V N 0.875 120.636 119.914 -0.255 0.000 2.324 807 V HA -0.315 3.820 4.120 0.025 0.000 0.250 807 V C 2.257 178.410 176.094 0.099 0.000 1.060 807 V CA 2.244 64.602 62.300 0.096 0.000 1.042 807 V CB -0.429 31.512 31.823 0.196 0.000 0.650 807 V HN 0.098 nan 8.190 nan 0.000 0.450 808 E N -0.133 120.041 120.200 -0.043 0.000 2.051 808 E HA -0.220 4.145 4.350 0.025 0.000 0.192 808 E C 2.336 178.908 176.600 -0.047 0.000 0.991 808 E CA 1.388 57.769 56.400 -0.032 0.000 0.799 808 E CB -0.408 29.245 29.700 -0.078 0.000 0.748 808 E HN 0.598 nan 8.360 nan 0.000 0.449 809 R N -0.290 120.101 120.500 -0.182 0.000 2.091 809 R HA -0.144 4.211 4.340 0.025 0.000 0.238 809 R C 2.310 178.551 176.300 -0.098 0.000 1.136 809 R CA 1.461 57.428 56.100 -0.222 0.000 0.959 809 R CB -0.192 29.846 30.300 -0.438 0.000 0.856 809 R HN 0.261 nan 8.270 nan 0.000 0.437 810 W N 1.113 122.376 121.300 -0.062 0.000 2.381 810 W HA -0.062 4.613 4.660 0.026 0.000 0.301 810 W C 1.918 178.409 176.519 -0.047 0.000 1.205 810 W CA 0.716 57.939 57.345 -0.204 0.000 1.285 810 W CB -0.632 28.829 29.460 0.002 0.000 1.133 810 W HN 0.101 nan 8.180 nan 0.000 0.521 811 K N 0.061 120.682 120.400 0.369 0.000 2.025 811 K HA -0.061 4.274 4.320 0.025 0.000 0.207 811 K C 2.283 178.951 176.600 0.114 0.000 1.049 811 K CA 1.617 58.082 56.287 0.296 0.000 0.933 811 K CB -0.579 32.048 32.500 0.213 0.000 0.714 811 K HN -0.040 nan 8.250 nan 0.000 0.438 812 A N 1.249 124.106 122.820 0.062 0.000 1.978 812 A HA -0.121 4.214 4.320 0.025 0.000 0.220 812 A C 2.197 179.789 177.584 0.013 0.000 1.170 812 A CA 1.895 53.950 52.037 0.030 0.000 0.636 812 A CB -0.547 18.453 19.000 -0.001 0.000 0.810 812 A HN 0.349 nan 8.150 nan 0.000 0.448 813 A N -2.003 120.802 122.820 -0.026 0.000 2.208 813 A HA 0.410 4.745 4.320 0.025 0.000 0.209 813 A C 1.802 179.325 177.584 -0.102 0.000 1.161 813 A CA 1.195 53.220 52.037 -0.020 0.000 0.782 813 A CB -0.841 18.119 19.000 -0.066 0.000 0.816 813 A HN 1.893 nan 8.150 nan 0.000 0.477 814 G N -1.434 107.206 108.800 -0.265 0.000 2.136 814 G HA2 -0.309 3.666 3.960 0.025 0.000 0.242 814 G HA3 -0.309 3.666 3.960 0.025 0.000 0.242 814 G C 0.595 175.448 174.900 -0.078 0.000 0.989 814 G CA 0.696 45.392 45.100 -0.672 0.000 0.682 814 G HN 0.740 nan 8.290 nan 0.000 0.522 815 H N -1.525 117.507 119.070 -0.063 0.000 2.387 815 H HA -0.088 4.483 4.556 0.025 0.000 0.299 815 H C 2.209 177.505 175.328 -0.053 0.000 1.090 815 H CA 1.553 57.583 56.048 -0.031 0.000 1.332 815 H CB 0.100 29.772 29.762 -0.150 0.000 1.386 815 H HN 0.623 nan 8.280 nan 0.000 0.516 816 Y N 0.458 120.874 120.300 0.194 0.000 2.509 816 Y HA -0.110 4.455 4.550 0.025 0.000 0.293 816 Y C 1.689 177.663 175.900 0.123 0.000 1.133 816 Y CA 0.682 58.858 58.100 0.127 0.000 1.283 816 Y CB 0.357 38.881 38.460 0.107 0.000 1.001 816 Y HN 0.202 nan 8.280 nan 0.000 0.555 817 Q N -0.341 119.606 119.800 0.246 0.000 2.179 817 Q HA 0.326 4.681 4.340 0.025 0.000 0.213 817 Q C 0.366 176.549 176.000 0.304 0.000 0.833 817 Q CA -0.294 55.657 55.803 0.247 0.000 0.990 817 Q CB 0.832 29.712 28.738 0.238 0.000 1.132 817 Q HN 0.248 nan 8.270 nan 0.000 0.493 818 A N 2.274 125.288 122.820 0.324 0.000 2.531 818 A HA 0.053 4.388 4.320 0.025 0.000 0.236 818 A C -0.005 177.890 177.584 0.518 0.000 1.062 818 A CA 0.200 52.513 52.037 0.460 0.000 0.760 818 A CB 0.143 19.498 19.000 0.591 0.000 0.995 818 A HN 0.282 nan 8.150 nan 0.000 0.501 819 E N 1.807 122.254 120.200 0.410 0.000 2.165 819 E HA 0.557 4.922 4.350 0.025 0.000 0.266 819 E C -0.404 176.176 176.600 -0.032 0.000 0.889 819 E CA -0.689 55.843 56.400 0.219 0.000 0.756 819 E CB 1.510 31.311 29.700 0.168 0.000 1.131 819 E HN 0.687 nan 8.360 nan 0.000 0.411 820 A N 2.769 125.421 122.820 -0.279 0.000 2.440 820 A HA 0.505 4.840 4.320 0.025 0.000 0.251 820 A C -0.048 177.377 177.584 -0.265 0.000 1.089 820 A CA -0.119 51.495 52.037 -0.705 0.000 0.779 820 A CB 0.438 19.052 19.000 -0.644 0.000 1.022 820 A HN 0.716 nan 8.150 nan 0.000 0.492 821 A N 3.081 125.749 122.820 -0.254 0.000 2.323 821 A HA 0.538 4.873 4.320 0.025 0.000 0.305 821 A C -0.387 177.111 177.584 -0.144 0.000 1.275 821 A CA -0.582 51.383 52.037 -0.119 0.000 0.804 821 A CB 0.261 19.220 19.000 -0.068 0.000 1.152 821 A HN 0.948 nan 8.150 nan 0.000 0.487 822 L N 2.991 124.105 121.223 -0.182 0.000 2.559 822 L HA 0.122 4.477 4.340 0.025 0.000 0.274 822 L C 0.603 177.337 176.870 -0.227 0.000 1.205 822 L CA 0.277 54.902 54.840 -0.358 0.000 0.907 822 L CB 0.010 41.888 42.059 -0.303 0.000 1.153 822 L HN 0.793 nan 8.230 nan 0.000 0.490 823 L N 3.734 124.815 121.223 -0.236 0.000 2.672 823 L HA 0.273 4.628 4.340 0.025 0.000 0.236 823 L C 0.258 177.062 176.870 -0.109 0.000 1.092 823 L CA -0.030 54.740 54.840 -0.117 0.000 0.887 823 L CB 0.225 42.249 42.059 -0.057 0.000 1.168 823 L HN 0.778 nan 8.230 nan 0.000 0.502 824 Q N -0.332 119.367 119.800 -0.167 0.000 2.574 824 Q HA 0.342 4.697 4.340 0.025 0.000 0.265 824 Q C -1.919 174.016 176.000 -0.108 0.000 0.975 824 Q CA -0.673 55.070 55.803 -0.100 0.000 0.923 824 Q CB 2.396 31.111 28.738 -0.038 0.000 1.518 824 Q HN -0.004 nan 8.270 nan 0.000 0.401 825 C N 3.330 122.613 119.300 -0.028 0.000 2.789 825 C HA 0.825 5.300 4.460 0.025 0.000 0.367 825 C C -1.055 174.062 174.990 0.212 0.000 1.062 825 C CA 0.713 59.766 59.018 0.058 0.000 1.297 825 C CB 0.680 28.417 27.740 -0.005 0.000 1.794 825 C HN 0.866 nan 8.230 nan 0.000 0.474 826 T N 2.590 117.247 114.554 0.171 0.000 2.906 826 T HA 0.888 5.253 4.350 0.025 0.000 0.295 826 T C -0.468 174.040 174.700 -0.319 0.000 1.061 826 T CA -0.192 61.958 62.100 0.083 0.000 1.000 826 T CB 1.898 70.766 68.868 -0.001 0.000 1.103 826 T HN 1.617 nan 8.240 nan 0.000 0.486 827 A N 1.711 124.054 122.820 -0.794 0.000 2.355 827 A HA 0.822 5.157 4.320 0.025 0.000 0.324 827 A C -0.841 176.431 177.584 -0.521 0.000 1.117 827 A CA -0.638 50.774 52.037 -1.041 0.000 0.785 827 A CB 1.175 18.843 19.000 -2.220 0.000 1.254 827 A HN 0.934 nan 8.150 nan 0.000 0.453 828 D N -0.134 120.033 120.400 -0.388 0.000 2.602 828 D HA 0.526 5.181 4.640 0.025 0.000 0.236 828 D C -1.301 174.879 176.300 -0.199 0.000 1.209 828 D CA -0.042 53.817 54.000 -0.236 0.000 0.831 828 D CB 2.629 43.331 40.800 -0.163 0.000 1.478 828 D HN 0.455 nan 8.370 nan 0.000 0.438 829 T N 1.254 115.725 114.554 -0.140 0.000 2.824 829 T HA 0.607 4.972 4.350 0.025 0.000 0.282 829 T C 0.178 174.833 174.700 -0.074 0.000 0.993 829 T CA -0.520 61.515 62.100 -0.109 0.000 0.967 829 T CB 1.218 70.031 68.868 -0.091 0.000 0.960 829 T HN 0.164 nan 8.240 nan 0.000 0.441 830 L N 0.960 122.144 121.223 -0.064 0.000 2.260 830 L HA 0.742 5.097 4.340 0.025 0.000 0.265 830 L C 1.873 178.726 176.870 -0.028 0.000 1.015 830 L CA -1.506 53.307 54.840 -0.044 0.000 0.826 830 L CB 0.362 42.394 42.059 -0.045 0.000 1.373 830 L HN 0.677 nan 8.230 nan 0.000 0.450 831 A N 0.216 123.024 122.820 -0.019 0.000 2.139 831 A HA -0.142 4.193 4.320 0.025 0.000 0.221 831 A C 0.691 178.273 177.584 -0.004 0.000 1.159 831 A CA 2.006 54.038 52.037 -0.009 0.000 0.662 831 A CB -0.733 18.263 19.000 -0.007 0.000 0.796 831 A HN 0.916 nan 8.150 nan 0.000 0.463 832 D N -4.107 116.286 120.400 -0.011 0.000 3.048 832 D HA 0.448 5.103 4.640 0.025 0.000 0.290 832 D C -0.234 176.056 176.300 -0.018 0.000 1.667 832 D CA 0.607 54.604 54.000 -0.006 0.000 0.835 832 D CB -0.937 39.860 40.800 -0.005 0.000 1.438 832 D HN 0.758 nan 8.370 nan 0.000 0.463 833 A N -0.530 122.270 122.820 -0.033 0.000 2.569 833 A HA 0.570 4.905 4.320 0.025 0.000 0.292 833 A C -1.751 175.782 177.584 -0.085 0.000 1.032 833 A CA -0.687 51.314 52.037 -0.060 0.000 0.669 833 A CB 1.260 20.223 19.000 -0.061 0.000 1.290 833 A HN 0.127 nan 8.150 nan 0.000 0.422 834 V N 0.911 120.752 119.914 -0.123 0.000 2.483 834 V HA 0.658 4.793 4.120 0.025 0.000 0.295 834 V C -0.646 175.341 176.094 -0.179 0.000 1.035 834 V CA -0.459 61.744 62.300 -0.162 0.000 0.896 834 V CB 1.384 33.098 31.823 -0.182 0.000 0.986 834 V HN 0.898 nan 8.190 nan 0.000 0.447 835 L N 6.513 127.621 121.223 -0.192 0.000 2.345 835 L HA 0.593 4.948 4.340 0.025 0.000 0.274 835 L C -0.746 175.980 176.870 -0.240 0.000 0.999 835 L CA 0.025 54.761 54.840 -0.173 0.000 0.849 835 L CB 0.964 42.948 42.059 -0.126 0.000 1.220 835 L HN 0.416 nan 8.230 nan 0.000 0.422 836 I N 3.929 124.351 120.570 -0.247 0.000 2.321 836 I HA 0.369 4.554 4.170 0.025 0.000 0.291 836 I C -0.000 176.108 176.117 -0.014 0.000 0.998 836 I CA -0.239 60.880 61.300 -0.301 0.000 1.227 836 I CB 1.330 38.875 38.000 -0.759 0.000 1.368 836 I HN 0.505 nan 8.210 nan 0.000 0.466 837 T N 5.180 119.719 114.554 -0.025 0.000 2.788 837 T HA 0.517 4.882 4.350 0.025 0.000 0.296 837 T C 0.404 175.155 174.700 0.085 0.000 1.009 837 T CA -0.518 61.610 62.100 0.046 0.000 0.949 837 T CB 1.108 69.972 68.868 -0.006 0.000 0.946 837 T HN 0.775 nan 8.240 nan 0.000 0.453 838 T N -0.060 114.591 114.554 0.162 0.000 2.916 838 T HA 0.892 5.257 4.350 0.025 0.000 0.292 838 T C -0.936 173.854 174.700 0.150 0.000 1.064 838 T CA -1.126 61.060 62.100 0.143 0.000 1.011 838 T CB 2.104 71.151 68.868 0.299 0.000 1.152 838 T HN 0.696 nan 8.240 nan 0.000 0.510 839 A N 1.482 124.327 122.820 0.042 0.000 2.488 839 A HA 0.732 5.067 4.320 0.025 0.000 0.295 839 A C -1.546 176.012 177.584 -0.044 0.000 1.045 839 A CA -0.800 51.298 52.037 0.102 0.000 0.703 839 A CB 0.859 19.887 19.000 0.046 0.000 1.271 839 A HN 1.007 nan 8.150 nan 0.000 0.400 840 H N -0.001 119.124 119.070 0.092 0.000 2.895 840 H HA 0.819 5.390 4.556 0.025 0.000 0.373 840 H C -0.119 175.241 175.328 0.053 0.000 1.174 840 H CA 0.177 56.195 56.048 -0.050 0.000 1.144 840 H CB 2.106 31.705 29.762 -0.272 0.000 1.793 840 H HN 1.040 nan 8.280 nan 0.000 0.551 841 A N 1.439 124.298 122.820 0.066 0.000 2.355 841 A HA 0.498 4.833 4.320 0.025 0.000 0.317 841 A C -1.385 176.242 177.584 0.071 0.000 1.094 841 A CA -0.709 51.427 52.037 0.165 0.000 0.764 841 A CB 1.212 20.277 19.000 0.107 0.000 1.230 841 A HN 0.566 nan 8.150 nan 0.000 0.448 842 W N 1.892 123.296 121.300 0.174 0.000 2.376 842 W HA 0.443 5.118 4.660 0.025 0.000 0.312 842 W C -0.348 176.196 176.519 0.042 0.000 1.060 842 W CA -0.146 57.303 57.345 0.173 0.000 1.221 842 W CB 1.735 31.372 29.460 0.296 0.000 1.281 842 W HN 0.760 nan 8.180 nan 0.000 0.456 843 Q N 1.335 121.285 119.800 0.250 0.000 2.458 843 Q HA 0.405 4.760 4.340 0.025 0.000 0.282 843 Q C -0.959 175.178 176.000 0.228 0.000 1.106 843 Q CA -0.803 55.097 55.803 0.161 0.000 0.814 843 Q CB 3.665 32.456 28.738 0.090 0.000 1.425 843 Q HN 0.388 nan 8.270 nan 0.000 0.437 844 H N 1.451 120.559 119.070 0.062 0.000 3.149 844 H HA 0.076 4.647 4.556 0.025 0.000 0.334 844 H C -1.011 174.349 175.328 0.053 0.000 1.000 844 H CA -0.073 56.021 56.048 0.076 0.000 1.415 844 H CB 1.059 30.877 29.762 0.093 0.000 1.819 844 H HN 0.817 nan 8.280 nan 0.000 0.486 845 Q N 3.220 122.775 119.800 -0.409 0.000 2.416 845 Q HA -0.278 4.077 4.340 0.025 0.000 0.319 845 Q C 1.006 176.941 176.000 -0.108 0.000 1.318 845 Q CA 1.254 56.878 55.803 -0.299 0.000 0.915 845 Q CB -1.241 27.253 28.738 -0.407 0.000 1.184 845 Q HN 1.177 nan 8.270 nan 0.000 0.444 846 G N -0.683 108.086 108.800 -0.052 0.000 2.258 846 G HA2 -0.343 3.632 3.960 0.025 0.000 0.233 846 G HA3 -0.343 3.632 3.960 0.025 0.000 0.233 846 G C 0.091 174.996 174.900 0.007 0.000 1.006 846 G CA 0.197 45.288 45.100 -0.015 0.000 0.620 846 G HN 0.300 nan 8.290 nan 0.000 0.511 847 K N 1.975 122.388 120.400 0.022 0.000 2.227 847 K HA 0.599 4.934 4.320 0.025 0.000 0.280 847 K C -0.066 176.548 176.600 0.022 0.000 1.041 847 K CA 0.090 56.393 56.287 0.026 0.000 0.905 847 K CB 0.713 33.235 32.500 0.037 0.000 1.068 847 K HN 0.035 nan 8.250 nan 0.000 0.470 848 T N 6.255 120.810 114.554 0.003 0.000 2.723 848 T HA 0.184 4.549 4.350 0.025 0.000 0.297 848 T C 1.140 175.779 174.700 -0.102 0.000 0.925 848 T CA -0.308 61.791 62.100 -0.001 0.000 1.030 848 T CB 0.265 69.148 68.868 0.025 0.000 0.905 848 T HN 0.518 nan 8.240 nan 0.000 0.502 849 L N 2.530 123.594 121.223 -0.264 0.000 2.168 849 L HA 0.337 4.692 4.340 0.025 0.000 0.203 849 L C -0.038 176.292 176.870 -0.901 0.000 1.078 849 L CA 0.826 55.236 54.840 -0.718 0.000 0.780 849 L CB -0.010 41.288 42.059 -1.268 0.000 0.939 849 L HN 0.504 nan 8.230 nan 0.000 0.451 850 F N -1.221 118.670 119.950 -0.099 0.000 2.613 850 F HA 0.594 5.136 4.527 0.025 0.000 0.310 850 F C -0.562 175.316 175.800 0.129 0.000 1.085 850 F CA -0.849 57.044 58.000 -0.179 0.000 0.945 850 F CB 1.917 40.420 39.000 -0.829 0.000 1.298 850 F HN -0.351 nan 8.300 nan 0.000 0.455 851 I N 1.361 122.149 120.570 0.362 0.000 2.498 851 I HA 0.406 4.591 4.170 0.025 0.000 0.290 851 I C -0.819 175.563 176.117 0.441 0.000 1.032 851 I CA -0.493 61.043 61.300 0.395 0.000 1.073 851 I CB 2.250 40.397 38.000 0.245 0.000 1.251 851 I HN 0.565 nan 8.210 nan 0.000 0.426 852 S N 6.714 122.761 115.700 0.578 0.000 2.498 852 S HA 0.599 5.084 4.470 0.025 0.000 0.317 852 S C -0.722 174.120 174.600 0.402 0.000 1.090 852 S CA -0.743 57.771 58.200 0.523 0.000 1.089 852 S CB 0.607 64.237 63.200 0.718 0.000 0.997 852 S HN 0.545 nan 8.310 nan 0.000 0.470 853 R N 3.645 124.312 120.500 0.278 0.000 2.445 853 R HA 0.643 4.999 4.340 0.025 0.000 0.308 853 R C -0.677 175.711 176.300 0.147 0.000 0.961 853 R CA -0.934 55.290 56.100 0.206 0.000 0.862 853 R CB 1.734 32.126 30.300 0.153 0.000 1.144 853 R HN 0.521 nan 8.270 nan 0.000 0.447 854 K N 0.768 121.248 120.400 0.134 0.000 2.509 854 K HA 0.445 4.780 4.320 0.025 0.000 0.266 854 K C -1.002 175.605 176.600 0.010 0.000 0.987 854 K CA -0.889 55.410 56.287 0.020 0.000 0.868 854 K CB 2.747 35.242 32.500 -0.008 0.000 1.421 854 K HN 0.741 nan 8.250 nan 0.000 0.444 855 T N -1.288 113.192 114.554 -0.123 0.000 2.921 855 T HA 0.548 4.913 4.350 0.025 0.000 0.297 855 T C -1.381 173.215 174.700 -0.174 0.000 1.013 855 T CA -0.749 61.318 62.100 -0.055 0.000 0.990 855 T CB 0.436 69.291 68.868 -0.021 0.000 1.023 855 T HN 0.357 nan 8.240 nan 0.000 0.447 856 Y N 1.385 121.652 120.300 -0.055 0.000 2.328 856 Y HA 0.658 5.223 4.550 0.025 0.000 0.337 856 Y C 0.534 176.358 175.900 -0.128 0.000 0.966 856 Y CA -1.283 56.792 58.100 -0.041 0.000 1.136 856 Y CB 1.635 40.109 38.460 0.024 0.000 1.170 856 Y HN 0.732 nan 8.280 nan 0.000 0.470 857 R N 4.047 124.568 120.500 0.036 0.000 2.337 857 R HA 0.597 4.952 4.340 0.025 0.000 0.319 857 R C -1.817 174.425 176.300 -0.096 0.000 0.954 857 R CA -0.598 55.474 56.100 -0.047 0.000 0.840 857 R CB 0.502 30.782 30.300 -0.034 0.000 1.164 857 R HN 0.551 nan 8.270 nan 0.000 0.472 858 I N 5.272 125.725 120.570 -0.194 0.000 2.330 858 I HA 0.190 4.375 4.170 0.025 0.000 0.289 858 I C 0.031 176.028 176.117 -0.199 0.000 1.001 858 I CA -1.204 59.904 61.300 -0.319 0.000 1.193 858 I CB 0.797 38.421 38.000 -0.627 0.000 1.345 858 I HN 0.702 nan 8.210 nan 0.000 0.461 859 D N 4.070 124.397 120.400 -0.120 0.000 2.506 859 D HA 0.285 4.940 4.640 0.025 0.000 0.272 859 D C 1.223 177.513 176.300 -0.017 0.000 1.214 859 D CA -0.665 53.303 54.000 -0.054 0.000 1.067 859 D CB 0.456 41.242 40.800 -0.023 0.000 1.117 859 D HN 0.477 nan 8.370 nan 0.000 0.578 860 G N -1.760 107.046 108.800 0.010 0.000 3.061 860 G HA2 0.023 3.998 3.960 0.025 0.000 0.208 860 G HA3 0.023 3.998 3.960 0.025 0.000 0.208 860 G C 0.848 175.784 174.900 0.060 0.000 1.175 860 G CA 0.607 45.733 45.100 0.044 0.000 0.812 860 G HN 0.497 nan 8.290 nan 0.000 0.523 861 S N -1.643 114.089 115.700 0.054 0.000 2.559 861 S HA 0.396 4.881 4.470 0.025 0.000 0.226 861 S C 1.614 176.282 174.600 0.114 0.000 1.000 861 S CA 0.918 59.157 58.200 0.066 0.000 0.948 861 S CB 0.292 63.516 63.200 0.040 0.000 0.870 861 S HN 1.323 nan 8.310 nan 0.000 0.497 862 G N 1.077 109.966 108.800 0.149 0.000 2.147 862 G HA2 -0.223 3.752 3.960 0.025 0.000 0.244 862 G HA3 -0.223 3.752 3.960 0.025 0.000 0.244 862 G C -0.298 174.743 174.900 0.235 0.000 1.005 862 G CA 0.115 45.387 45.100 0.286 0.000 0.713 862 G HN 0.616 nan 8.290 nan 0.000 0.515 863 Q N -0.660 119.203 119.800 0.105 0.000 2.256 863 Q HA 0.653 5.008 4.340 0.025 0.000 0.257 863 Q C 0.171 176.184 176.000 0.023 0.000 0.936 863 Q CA -0.530 55.338 55.803 0.109 0.000 0.903 863 Q CB 1.723 30.517 28.738 0.094 0.000 1.263 863 Q HN 0.473 nan 8.270 nan 0.000 0.440 864 M N 2.063 121.710 119.600 0.078 0.000 2.167 864 M HA 0.595 5.090 4.480 0.025 0.000 0.333 864 M C -1.523 174.859 176.300 0.136 0.000 1.030 864 M CA -0.431 54.876 55.300 0.012 0.000 0.963 864 M CB 1.066 33.681 32.600 0.025 0.000 1.589 864 M HN 0.665 nan 8.290 nan 0.000 0.431 865 A N 6.872 129.742 122.820 0.083 0.000 2.288 865 A HA 0.735 5.070 4.320 0.025 0.000 0.320 865 A C -0.894 176.711 177.584 0.035 0.000 1.217 865 A CA -0.766 51.325 52.037 0.090 0.000 0.840 865 A CB 0.457 19.494 19.000 0.061 0.000 1.179 865 A HN 0.929 nan 8.150 nan 0.000 0.504 866 I N 2.575 123.152 120.570 0.012 0.000 2.354 866 I HA 0.295 4.480 4.170 0.025 0.000 0.286 866 I C -0.295 175.700 176.117 -0.202 0.000 1.007 866 I CA -0.278 60.921 61.300 -0.168 0.000 1.167 866 I CB 1.660 39.579 38.000 -0.135 0.000 1.320 866 I HN 0.479 nan 8.210 nan 0.000 0.458 867 T N 5.877 120.293 114.554 -0.231 0.000 2.749 867 T HA 0.470 4.835 4.350 0.025 0.000 0.287 867 T C 0.009 174.524 174.700 -0.310 0.000 0.970 867 T CA -0.472 61.491 62.100 -0.228 0.000 0.980 867 T CB 1.616 70.460 68.868 -0.039 0.000 0.924 867 T HN 0.236 nan 8.240 nan 0.000 0.456 868 V N 3.893 123.482 119.914 -0.542 0.000 2.459 868 V HA 0.473 4.609 4.120 0.025 0.000 0.295 868 V C -0.412 175.557 176.094 -0.208 0.000 1.029 868 V CA -0.885 61.139 62.300 -0.460 0.000 0.874 868 V CB 1.812 33.110 31.823 -0.875 0.000 0.985 868 V HN 0.860 nan 8.190 nan 0.000 0.438 869 D N 3.561 123.992 120.400 0.051 0.000 2.620 869 D HA 0.517 5.172 4.640 0.025 0.000 0.252 869 D C -1.109 175.328 176.300 0.228 0.000 1.207 869 D CA -0.124 53.993 54.000 0.196 0.000 0.884 869 D CB 2.801 43.737 40.800 0.226 0.000 1.262 869 D HN 0.259 nan 8.370 nan 0.000 0.552 870 V N 2.019 122.101 119.914 0.281 0.000 2.769 870 V HA 0.320 4.455 4.120 0.025 0.000 0.312 870 V C -0.111 176.137 176.094 0.257 0.000 1.061 870 V CA -0.731 61.750 62.300 0.301 0.000 0.931 870 V CB 2.647 34.692 31.823 0.371 0.000 1.010 870 V HN 0.376 nan 8.190 nan 0.000 0.433 871 E N 2.260 122.599 120.200 0.232 0.000 2.187 871 E HA 0.615 4.980 4.350 0.025 0.000 0.268 871 E C -1.568 175.157 176.600 0.208 0.000 0.896 871 E CA -0.594 55.918 56.400 0.188 0.000 0.766 871 E CB 2.526 32.316 29.700 0.149 0.000 1.142 871 E HN 0.409 nan 8.360 nan 0.000 0.408 872 V N 2.050 122.087 119.914 0.206 0.000 2.409 872 V HA 0.374 4.509 4.120 0.025 0.000 0.291 872 V C 0.193 176.378 176.094 0.151 0.000 1.020 872 V CA -1.031 61.412 62.300 0.238 0.000 0.848 872 V CB 1.381 33.399 31.823 0.326 0.000 0.990 872 V HN 0.836 nan 8.190 nan 0.000 0.430 873 A N 3.635 126.495 122.820 0.066 0.000 2.566 873 A HA 0.234 4.569 4.320 0.025 0.000 0.245 873 A C 1.660 179.306 177.584 0.103 0.000 1.056 873 A CA 0.646 52.712 52.037 0.048 0.000 0.757 873 A CB 0.158 19.151 19.000 -0.011 0.000 0.979 873 A HN 1.368 nan 8.150 nan 0.000 0.508 874 S N 1.571 117.331 115.700 0.099 0.000 2.419 874 S HA -0.173 4.312 4.470 0.025 0.000 0.233 874 S C 0.965 175.629 174.600 0.108 0.000 1.016 874 S CA 1.321 59.598 58.200 0.128 0.000 0.974 874 S CB -0.312 62.947 63.200 0.098 0.000 0.786 874 S HN 0.834 nan 8.310 nan 0.000 0.492 875 D N 0.511 120.950 120.400 0.066 0.000 2.328 875 D HA 0.116 4.771 4.640 0.025 0.000 0.226 875 D C 0.514 176.834 176.300 0.033 0.000 1.066 875 D CA 0.104 54.127 54.000 0.037 0.000 0.861 875 D CB -0.461 40.352 40.800 0.022 0.000 0.912 875 D HN 0.331 nan 8.370 nan 0.000 0.521 876 T N 1.267 115.862 114.554 0.069 0.000 2.907 876 T HA 0.398 4.763 4.350 0.025 0.000 0.284 876 T C -2.624 172.158 174.700 0.137 0.000 1.004 876 T CA -2.049 60.113 62.100 0.103 0.000 1.063 876 T CB 1.152 70.097 68.868 0.127 0.000 0.992 876 T HN -0.174 nan 8.240 nan 0.000 0.483 877 P HA 0.049 nan 4.420 nan 0.000 0.264 877 P C -0.576 177.001 177.300 0.462 0.000 1.183 877 P CA 0.203 63.380 63.100 0.128 0.000 0.763 877 P CB -0.100 31.677 31.700 0.130 0.000 0.807 878 H N 3.757 123.207 119.070 0.634 0.000 3.094 878 H HA 0.054 4.625 4.556 0.025 0.000 0.320 878 H C -1.556 174.139 175.328 0.612 0.000 1.000 878 H CA -1.173 55.193 56.048 0.530 0.000 1.413 878 H CB -0.458 29.559 29.762 0.425 0.000 1.405 878 H HN 0.389 nan 8.280 nan 0.000 0.586 879 P HA 0.007 nan 4.420 nan 0.000 0.274 879 P C 0.055 177.275 177.300 -0.133 0.000 1.231 879 P CA -0.272 62.919 63.100 0.151 0.000 0.790 879 P CB 1.127 32.763 31.700 -0.107 0.000 0.951 880 A N 3.329 125.805 122.820 -0.574 0.000 2.015 880 A HA -0.070 4.265 4.320 0.025 0.000 0.219 880 A C 1.029 178.227 177.584 -0.643 0.000 1.163 880 A CA 1.206 52.857 52.037 -0.643 0.000 0.646 880 A CB -0.509 17.879 19.000 -1.020 0.000 0.806 880 A HN 0.749 nan 8.150 nan 0.000 0.448 881 R N -2.975 117.187 120.500 -0.562 0.000 2.728 881 R HA 0.718 5.074 4.340 0.025 0.000 0.274 881 R C -1.671 174.377 176.300 -0.421 0.000 1.030 881 R CA -0.829 54.951 56.100 -0.534 0.000 0.876 881 R CB 0.728 30.673 30.300 -0.592 0.000 1.259 881 R HN -0.015 nan 8.270 nan 0.000 0.468 882 I N 0.943 121.286 120.570 -0.378 0.000 2.595 882 I HA 0.605 4.790 4.170 0.025 0.000 0.276 882 I C -0.474 175.384 176.117 -0.432 0.000 1.109 882 I CA -0.332 60.763 61.300 -0.343 0.000 1.084 882 I CB 1.740 39.620 38.000 -0.201 0.000 1.206 882 I HN 0.959 nan 8.210 nan 0.000 0.486 883 G N 5.316 113.803 108.800 -0.521 0.000 2.753 883 G HA2 0.804 4.779 3.960 0.025 0.000 0.303 883 G HA3 0.804 4.779 3.960 0.025 0.000 0.303 883 G C -1.589 173.116 174.900 -0.326 0.000 1.242 883 G CA -0.535 44.313 45.100 -0.420 0.000 0.810 883 G HN 0.221 nan 8.290 nan 0.000 0.515 884 L N 0.519 121.613 121.223 -0.215 0.000 2.327 884 L HA 0.665 5.021 4.340 0.025 0.000 0.258 884 L C -0.837 175.938 176.870 -0.159 0.000 1.024 884 L CA -1.147 53.607 54.840 -0.143 0.000 0.825 884 L CB 2.619 44.682 42.059 0.007 0.000 1.386 884 L HN 0.835 nan 8.230 nan 0.000 0.417 885 N N 0.151 118.793 118.700 -0.096 0.000 2.708 885 N HA 0.712 5.467 4.740 0.025 0.000 0.257 885 N C -1.254 174.275 175.510 0.032 0.000 1.373 885 N CA -0.591 52.435 53.050 -0.040 0.000 0.843 885 N CB 2.131 40.614 38.487 -0.008 0.000 1.503 885 N HN 0.880 nan 8.380 nan 0.000 0.504 886 C N -1.941 117.393 119.300 0.057 0.000 3.292 886 C HA 0.597 5.072 4.460 0.025 0.000 0.338 886 C C -1.357 173.442 174.990 -0.319 0.000 1.323 886 C CA -0.868 58.126 59.018 -0.041 0.000 1.232 886 C CB 1.019 28.764 27.740 0.008 0.000 1.517 886 C HN 0.874 nan 8.230 nan 0.000 0.470 887 Q N 1.360 120.765 119.800 -0.657 0.000 2.372 887 Q HA 0.653 5.008 4.340 0.025 0.000 0.259 887 Q C -1.056 174.633 176.000 -0.519 0.000 0.993 887 Q CA -0.422 54.731 55.803 -1.082 0.000 0.854 887 Q CB 0.909 28.666 28.738 -1.635 0.000 1.231 887 Q HN 0.763 nan 8.270 nan 0.000 0.462 888 L N 2.339 123.337 121.223 -0.375 0.000 2.436 888 L HA 0.260 4.615 4.340 0.025 0.000 0.265 888 L C 1.206 177.990 176.870 -0.142 0.000 1.168 888 L CA -0.105 54.644 54.840 -0.151 0.000 0.815 888 L CB 0.824 42.884 42.059 0.001 0.000 1.109 888 L HN 0.820 nan 8.230 nan 0.000 0.462 889 A N 1.713 124.491 122.820 -0.070 0.000 1.968 889 A HA -0.086 4.249 4.320 0.025 0.000 0.217 889 A C 1.097 178.671 177.584 -0.016 0.000 1.169 889 A CA 0.612 52.607 52.037 -0.069 0.000 0.638 889 A CB -0.228 18.723 19.000 -0.080 0.000 0.812 889 A HN 0.769 nan 8.150 nan 0.000 0.446 890 Q N -0.539 119.297 119.800 0.060 0.000 2.354 890 Q HA 0.461 4.816 4.340 0.025 0.000 0.244 890 Q C -1.200 174.866 176.000 0.110 0.000 0.969 890 Q CA 0.197 56.041 55.803 0.069 0.000 0.885 890 Q CB 1.070 29.883 28.738 0.124 0.000 1.241 890 Q HN 0.103 nan 8.270 nan 0.000 0.461 891 V N 3.342 123.275 119.914 0.031 0.000 2.385 891 V HA 0.670 4.805 4.120 0.025 0.000 0.277 891 V C -0.704 175.357 176.094 -0.055 0.000 1.012 891 V CA -0.295 62.044 62.300 0.064 0.000 0.832 891 V CB 0.916 32.756 31.823 0.028 0.000 1.028 891 V HN 0.893 nan 8.190 nan 0.000 0.436 892 A N 3.170 125.872 122.820 -0.198 0.000 2.269 892 A HA 0.785 5.120 4.320 0.025 0.000 0.327 892 A C 0.790 178.360 177.584 -0.025 0.000 1.112 892 A CA -0.347 51.517 52.037 -0.289 0.000 0.865 892 A CB 1.210 19.801 19.000 -0.680 0.000 1.227 892 A HN 0.727 nan 8.150 nan 0.000 0.498 893 E N -0.180 120.008 120.200 -0.020 0.000 2.051 893 E HA -0.015 4.350 4.350 0.025 0.000 0.189 893 E C 0.478 177.140 176.600 0.104 0.000 0.979 893 E CA 1.026 57.452 56.400 0.044 0.000 0.803 893 E CB 0.136 29.849 29.700 0.022 0.000 0.761 893 E HN 0.557 nan 8.360 nan 0.000 0.451 894 R N -0.260 120.309 120.500 0.115 0.000 2.828 894 R HA 0.556 4.911 4.340 0.025 0.000 0.264 894 R C -0.869 175.601 176.300 0.283 0.000 1.022 894 R CA -0.866 55.337 56.100 0.172 0.000 1.021 894 R CB 1.560 31.937 30.300 0.128 0.000 1.163 894 R HN -0.136 nan 8.270 nan 0.000 0.494 895 V N 1.345 121.444 119.914 0.309 0.000 2.588 895 V HA 0.368 4.503 4.120 0.025 0.000 0.304 895 V C -0.344 176.025 176.094 0.458 0.000 1.042 895 V CA -0.923 61.600 62.300 0.372 0.000 0.877 895 V CB 1.976 33.952 31.823 0.254 0.000 0.996 895 V HN 0.691 nan 8.190 nan 0.000 0.425 896 N N 3.990 122.951 118.700 0.435 0.000 2.346 896 N HA 0.548 5.303 4.740 0.025 0.000 0.289 896 N C -1.557 174.246 175.510 0.489 0.000 1.027 896 N CA -0.398 52.888 53.050 0.394 0.000 0.864 896 N CB 2.680 41.287 38.487 0.199 0.000 1.370 896 N HN 0.846 nan 8.380 nan 0.000 0.481 897 W N 3.213 124.553 121.300 0.068 0.000 3.213 897 W HA 0.544 5.219 4.660 0.025 0.000 0.318 897 W C -2.128 174.355 176.519 -0.060 0.000 1.248 897 W CA -1.065 56.298 57.345 0.030 0.000 1.187 897 W CB 0.666 30.175 29.460 0.082 0.000 1.403 897 W HN 0.216 nan 8.180 nan 0.000 0.556 898 L N 4.294 125.491 121.223 -0.043 0.000 2.283 898 L HA 0.899 5.254 4.340 0.025 0.000 0.281 898 L C 0.047 176.737 176.870 -0.300 0.000 1.033 898 L CA 0.475 55.094 54.840 -0.367 0.000 0.848 898 L CB 0.500 42.434 42.059 -0.208 0.000 1.226 898 L HN 0.969 nan 8.230 nan 0.000 0.429 899 G N 3.658 112.121 108.800 -0.561 0.000 2.364 899 G HA2 0.212 4.187 3.960 0.025 0.000 0.286 899 G HA3 0.212 4.187 3.960 0.025 0.000 0.286 899 G C -1.590 173.311 174.900 0.002 0.000 1.241 899 G CA -1.030 43.980 45.100 -0.151 0.000 0.887 899 G HN 0.373 nan 8.290 nan 0.000 0.484 900 L N 1.181 122.571 121.223 0.278 0.000 2.367 900 L HA 0.601 4.956 4.340 0.025 0.000 0.275 900 L C 1.050 178.014 176.870 0.157 0.000 1.129 900 L CA 0.796 55.760 54.840 0.207 0.000 0.839 900 L CB 0.594 42.724 42.059 0.118 0.000 1.133 900 L HN 1.168 nan 8.230 nan 0.000 0.453 901 G N 3.067 111.739 108.800 -0.214 0.000 2.348 901 G HA2 0.224 4.199 3.960 0.025 0.000 0.296 901 G HA3 0.224 4.199 3.960 0.025 0.000 0.296 901 G C -2.762 171.253 174.900 -1.475 0.000 1.258 901 G CA -0.259 44.337 45.100 -0.839 0.000 0.868 901 G HN 0.309 nan 8.290 nan 0.000 0.488 902 P HA 0.074 nan 4.420 nan 0.000 0.226 902 P C 0.500 177.586 177.300 -0.358 0.000 1.161 902 P CA 0.650 63.054 63.100 -1.161 0.000 0.804 902 P CB 0.427 31.613 31.700 -0.858 0.000 0.829 903 Q N 0.636 120.229 119.800 -0.346 0.000 2.396 903 Q HA 0.114 4.469 4.340 0.025 0.000 0.221 903 Q C 0.414 176.300 176.000 -0.190 0.000 1.025 903 Q CA -0.502 55.180 55.803 -0.202 0.000 0.946 903 Q CB 0.567 29.202 28.738 -0.171 0.000 1.224 903 Q HN 0.161 nan 8.270 nan 0.000 0.539 904 E N 1.377 121.469 120.200 -0.179 0.000 2.568 904 E HA -0.151 4.214 4.350 0.025 0.000 0.262 904 E C -1.111 175.389 176.600 -0.166 0.000 0.961 904 E CA 0.355 56.632 56.400 -0.204 0.000 0.945 904 E CB 0.212 29.851 29.700 -0.102 0.000 0.924 904 E HN 0.597 nan 8.360 nan 0.000 0.467 905 N N 2.806 121.322 118.700 -0.306 0.000 2.371 905 N HA 0.278 5.033 4.740 0.025 0.000 0.280 905 N C -1.939 173.330 175.510 -0.402 0.000 1.084 905 N CA -0.661 52.266 53.050 -0.204 0.000 0.892 905 N CB 0.660 39.058 38.487 -0.148 0.000 1.653 905 N HN 0.247 nan 8.380 nan 0.000 0.480 906 Y N 0.679 120.880 120.300 -0.165 0.000 2.587 906 Y HA 0.510 5.075 4.550 0.025 0.000 0.337 906 Y C -1.563 174.244 175.900 -0.155 0.000 1.065 906 Y CA -2.026 55.961 58.100 -0.188 0.000 1.126 906 Y CB 1.791 40.137 38.460 -0.190 0.000 1.279 906 Y HN 0.432 nan 8.280 nan 0.000 0.489 907 P HA -0.217 nan 4.420 nan 0.000 0.217 907 P C 0.470 177.565 177.300 -0.343 0.000 1.158 907 P CA 2.273 65.353 63.100 -0.032 0.000 0.887 907 P CB 0.168 31.955 31.700 0.146 0.000 0.792 908 D N -2.344 117.643 120.400 -0.687 0.000 2.328 908 D HA -0.019 4.636 4.640 0.025 0.000 0.221 908 D C 0.837 176.962 176.300 -0.292 0.000 1.072 908 D CA 0.174 53.578 54.000 -0.993 0.000 0.850 908 D CB -0.389 39.631 40.800 -1.300 0.000 0.922 908 D HN 0.144 nan 8.370 nan 0.000 0.516 909 R N 1.025 121.448 120.500 -0.127 0.000 2.638 909 R HA 0.191 4.546 4.340 0.025 0.000 0.269 909 R C -0.496 175.822 176.300 0.029 0.000 1.393 909 R CA -0.142 55.959 56.100 0.001 0.000 1.531 909 R CB 0.049 30.361 30.300 0.021 0.000 1.327 909 R HN 0.098 nan 8.270 nan 0.000 0.709 910 L N -2.292 118.953 121.223 0.036 0.000 3.298 910 L HA 0.344 4.699 4.340 0.025 0.000 0.296 910 L C 1.381 178.296 176.870 0.074 0.000 1.237 910 L CA -0.004 54.858 54.840 0.038 0.000 1.038 910 L CB 0.149 42.218 42.059 0.017 0.000 1.423 910 L HN 0.017 nan 8.230 nan 0.000 0.605 911 T N -2.497 112.127 114.554 0.118 0.000 2.867 911 T HA -0.026 4.339 4.350 0.025 0.000 0.268 911 T C 1.778 176.513 174.700 0.058 0.000 1.057 911 T CA 1.322 63.515 62.100 0.155 0.000 1.136 911 T CB -0.315 68.706 68.868 0.254 0.000 0.874 911 T HN 0.383 nan 8.240 nan 0.000 0.466 912 A N 1.477 124.345 122.820 0.078 0.000 2.119 912 A HA 0.647 4.982 4.320 0.025 0.000 0.217 912 A C 1.562 179.202 177.584 0.093 0.000 1.153 912 A CA 0.499 52.549 52.037 0.022 0.000 0.692 912 A CB -0.901 18.232 19.000 0.222 0.000 0.799 912 A HN 0.850 nan 8.150 nan 0.000 0.458 913 A N -0.991 121.840 122.820 0.019 0.000 2.371 913 A HA 0.464 4.799 4.320 0.025 0.000 0.257 913 A C -0.040 177.548 177.584 0.007 0.000 1.089 913 A CA -0.171 51.839 52.037 -0.044 0.000 0.794 913 A CB -0.050 18.910 19.000 -0.068 0.000 1.029 913 A HN 0.447 nan 8.150 nan 0.000 0.488 914 C N 1.150 120.442 119.300 -0.014 0.000 2.382 914 C HA 0.500 4.975 4.460 0.025 0.000 0.327 914 C C -0.018 175.095 174.990 0.204 0.000 1.250 914 C CA -0.460 58.629 59.018 0.117 0.000 1.707 914 C CB 0.252 28.081 27.740 0.148 0.000 2.272 914 C HN 0.774 nan 8.230 nan 0.000 0.506 915 F N 4.326 124.145 119.950 -0.219 0.000 2.444 915 F HA 0.462 5.004 4.527 0.025 0.000 0.360 915 F C 0.385 175.818 175.800 -0.612 0.000 1.106 915 F CA 1.252 58.947 58.000 -0.509 0.000 1.170 915 F CB -0.093 38.135 39.000 -1.286 0.000 1.113 915 F HN 0.653 nan 8.300 nan 0.000 0.521 916 D N 3.474 123.176 120.400 -1.164 0.000 3.024 916 D HA 0.153 4.808 4.640 0.025 0.000 0.354 916 D C -1.618 173.723 176.300 -1.598 0.000 1.431 916 D CA -0.750 52.472 54.000 -1.296 0.000 0.842 916 D CB 1.290 41.278 40.800 -1.353 0.000 1.437 916 D HN 0.529 nan 8.370 nan 0.000 0.507 917 R N 0.730 120.400 120.500 -1.383 0.000 2.207 917 R HA 0.536 4.891 4.340 0.025 0.000 0.334 917 R C -1.220 174.311 176.300 -1.282 0.000 1.013 917 R CA -0.372 55.056 56.100 -1.120 0.000 0.858 917 R CB 0.388 30.326 30.300 -0.604 0.000 1.094 917 R HN 0.280 nan 8.270 nan 0.000 0.457 918 W N 2.921 123.703 121.300 -0.862 0.000 2.627 918 W HA 0.408 5.083 4.660 0.025 0.000 0.339 918 W C -0.439 175.739 176.519 -0.567 0.000 1.058 918 W CA -0.701 56.091 57.345 -0.923 0.000 1.223 918 W CB 1.666 30.065 29.460 -1.769 0.000 1.389 918 W HN 0.374 nan 8.180 nan 0.000 0.541 919 D N 2.865 123.256 120.400 -0.014 0.000 2.763 919 D HA 0.476 5.131 4.640 0.025 0.000 0.235 919 D C -1.481 174.932 176.300 0.188 0.000 1.334 919 D CA -0.176 53.907 54.000 0.138 0.000 0.950 919 D CB 1.094 41.930 40.800 0.060 0.000 1.433 919 D HN 0.427 nan 8.370 nan 0.000 0.580 920 L N 2.641 124.036 121.223 0.288 0.000 2.359 920 L HA 0.579 4.934 4.340 0.025 0.000 0.256 920 L C -2.386 174.598 176.870 0.192 0.000 1.026 920 L CA -2.244 52.727 54.840 0.217 0.000 0.828 920 L CB 2.511 44.716 42.059 0.243 0.000 1.406 920 L HN 0.158 nan 8.230 nan 0.000 0.413 921 P HA 0.010 nan 4.420 nan 0.000 0.268 921 P C 0.594 177.971 177.300 0.129 0.000 1.205 921 P CA -0.219 62.952 63.100 0.118 0.000 0.771 921 P CB 0.818 32.569 31.700 0.084 0.000 0.858 922 L N 3.618 124.924 121.223 0.138 0.000 2.129 922 L HA -0.264 4.091 4.340 0.025 0.000 0.212 922 L C 2.306 179.226 176.870 0.083 0.000 1.087 922 L CA 2.693 57.606 54.840 0.121 0.000 0.757 922 L CB -1.228 40.923 42.059 0.153 0.000 0.896 922 L HN 0.467 nan 8.230 nan 0.000 0.434 923 S N -1.139 114.613 115.700 0.087 0.000 2.370 923 S HA -0.230 4.255 4.470 0.025 0.000 0.226 923 S C 1.650 176.322 174.600 0.121 0.000 1.033 923 S CA 1.336 59.601 58.200 0.108 0.000 1.011 923 S CB -0.955 62.304 63.200 0.097 0.000 0.852 923 S HN 0.562 nan 8.310 nan 0.000 0.457 924 D N 1.341 121.788 120.400 0.078 0.000 2.384 924 D HA 0.016 4.671 4.640 0.025 0.000 0.222 924 D C 1.310 177.613 176.300 0.004 0.000 0.976 924 D CA 0.708 54.732 54.000 0.039 0.000 0.915 924 D CB -0.240 40.590 40.800 0.050 0.000 0.896 924 D HN 0.420 nan 8.370 nan 0.000 0.523 925 M N -0.604 119.007 119.600 0.019 0.000 2.494 925 M HA 0.072 4.567 4.480 0.025 0.000 0.232 925 M C -0.030 176.266 176.300 -0.007 0.000 1.137 925 M CA -0.028 55.236 55.300 -0.061 0.000 1.012 925 M CB -0.753 31.791 32.600 -0.095 0.000 1.567 925 M HN -0.030 nan 8.290 nan 0.000 0.486 926 Y N 0.048 120.308 120.300 -0.068 0.000 2.409 926 Y HA 0.502 5.067 4.550 0.025 0.000 0.343 926 Y C -0.799 175.057 175.900 -0.074 0.000 0.973 926 Y CA -0.920 57.163 58.100 -0.029 0.000 1.064 926 Y CB 1.357 39.865 38.460 0.081 0.000 1.207 926 Y HN -0.127 nan 8.280 nan 0.000 0.452 927 T N 8.969 123.013 114.554 -0.850 0.000 2.756 927 T HA 0.275 4.640 4.350 0.025 0.000 0.290 927 T C -2.641 171.276 174.700 -1.306 0.000 0.985 927 T CA -1.543 59.986 62.100 -0.952 0.000 0.955 927 T CB 1.070 69.474 68.868 -0.773 0.000 0.930 927 T HN 0.451 nan 8.240 nan 0.000 0.451 928 P HA 0.077 nan 4.420 nan 0.000 0.238 928 P C -0.530 176.675 177.300 -0.159 0.000 1.714 928 P CA -0.314 62.435 63.100 -0.585 0.000 0.908 928 P CB -0.871 30.602 31.700 -0.377 0.000 1.893 929 Y N -0.599 119.666 120.300 -0.058 0.000 2.702 929 Y HA -0.094 4.471 4.550 0.025 0.000 0.336 929 Y C 2.271 178.254 175.900 0.138 0.000 1.235 929 Y CA -0.403 57.725 58.100 0.047 0.000 1.492 929 Y CB 0.476 38.883 38.460 -0.087 0.000 1.308 929 Y HN -0.130 nan 8.280 nan 0.000 0.589 930 V N 2.802 122.963 119.914 0.411 0.000 2.407 930 V HA -0.277 3.858 4.120 0.025 0.000 0.248 930 V C 0.385 176.673 176.094 0.323 0.000 1.055 930 V CA 1.353 63.865 62.300 0.354 0.000 1.049 930 V CB -0.525 31.534 31.823 0.393 0.000 0.662 930 V HN 0.582 nan 8.190 nan 0.000 0.455 931 F N 3.307 123.326 119.950 0.114 0.000 2.361 931 F HA 0.545 5.087 4.527 0.025 0.000 0.364 931 F C -2.533 173.296 175.800 0.048 0.000 1.120 931 F CA -3.306 54.708 58.000 0.023 0.000 1.102 931 F CB 1.004 39.915 39.000 -0.147 0.000 1.183 931 F HN -0.026 nan 8.300 nan 0.000 0.476 932 P HA 0.276 nan 4.420 nan 0.000 0.271 932 P C -1.095 175.932 177.300 -0.456 0.000 1.218 932 P CA 0.020 62.914 63.100 -0.344 0.000 0.780 932 P CB 1.396 32.902 31.700 -0.322 0.000 0.901 933 S N -0.194 115.423 115.700 -0.138 0.000 2.655 933 S HA 0.396 4.881 4.470 0.025 0.000 0.266 933 S C -0.814 173.796 174.600 0.016 0.000 1.149 933 S CA -0.977 57.184 58.200 -0.064 0.000 0.818 933 S CB 0.418 63.610 63.200 -0.012 0.000 1.130 933 S HN 0.335 nan 8.310 nan 0.000 0.476 934 E N 1.205 121.421 120.200 0.026 0.000 2.568 934 E HA 0.323 4.688 4.350 0.025 0.000 0.262 934 E C -0.108 176.558 176.600 0.111 0.000 0.961 934 E CA 1.013 57.453 56.400 0.066 0.000 0.945 934 E CB -0.293 29.463 29.700 0.093 0.000 0.924 934 E HN 0.802 nan 8.360 nan 0.000 0.467 935 N N 1.432 120.232 118.700 0.167 0.000 3.179 935 N HA 0.494 5.249 4.740 0.025 0.000 0.250 935 N C 0.273 175.843 175.510 0.101 0.000 1.507 935 N CA -0.578 52.611 53.050 0.231 0.000 0.883 935 N CB 0.687 39.294 38.487 0.201 0.000 1.435 935 N HN 0.702 nan 8.380 nan 0.000 0.532 936 G N -1.419 107.394 108.800 0.022 0.000 2.189 936 G HA2 -0.276 3.699 3.960 0.025 0.000 0.267 936 G HA3 -0.276 3.699 3.960 0.025 0.000 0.267 936 G C -0.188 174.459 174.900 -0.423 0.000 0.975 936 G CA 0.519 45.515 45.100 -0.174 0.000 0.644 936 G HN 0.687 nan 8.290 nan 0.000 0.537 937 L N 0.085 120.962 121.223 -0.578 0.000 2.506 937 L HA 0.611 4.966 4.340 0.025 0.000 0.281 937 L C 0.699 176.967 176.870 -1.003 0.000 1.228 937 L CA 0.577 54.813 54.840 -1.008 0.000 0.850 937 L CB 0.523 41.604 42.059 -1.630 0.000 1.110 937 L HN 0.273 nan 8.230 nan 0.000 0.496 938 R N 2.508 122.363 120.500 -1.075 0.000 2.532 938 R HA 0.487 4.842 4.340 0.025 0.000 0.297 938 R C -0.922 175.037 176.300 -0.567 0.000 0.984 938 R CA -0.294 55.309 56.100 -0.828 0.000 0.884 938 R CB 1.367 31.055 30.300 -1.019 0.000 1.182 938 R HN 0.709 nan 8.270 nan 0.000 0.442 939 C N 0.413 119.529 119.300 -0.307 0.000 2.352 939 C HA 0.687 5.162 4.460 0.025 0.000 0.387 939 C C 1.271 176.252 174.990 -0.015 0.000 1.294 939 C CA -0.024 58.893 59.018 -0.168 0.000 2.137 939 C CB 1.152 28.816 27.740 -0.127 0.000 2.146 939 C HN 1.026 nan 8.230 nan 0.000 0.559 940 G N 1.823 110.622 108.800 -0.001 0.000 2.395 940 G HA2 -0.185 3.791 3.960 0.025 0.000 0.300 940 G HA3 -0.185 3.791 3.960 0.025 0.000 0.300 940 G C -0.067 174.888 174.900 0.092 0.000 0.998 940 G CA 0.576 45.718 45.100 0.070 0.000 1.046 940 G HN 0.806 nan 8.290 nan 0.000 0.513 941 T N 0.218 114.687 114.554 -0.142 0.000 2.771 941 T HA 0.490 4.855 4.350 0.025 0.000 0.291 941 T C 1.407 175.739 174.700 -0.613 0.000 0.954 941 T CA -0.638 61.295 62.100 -0.278 0.000 1.045 941 T CB 1.332 70.116 68.868 -0.139 0.000 0.917 941 T HN 0.305 nan 8.240 nan 0.000 0.484 942 R N 1.739 122.143 120.500 -0.161 0.000 2.254 942 R HA 0.279 4.634 4.340 0.025 0.000 0.193 942 R C 0.525 176.864 176.300 0.065 0.000 0.929 942 R CA 0.173 56.262 56.100 -0.019 0.000 1.038 942 R CB 0.330 30.745 30.300 0.191 0.000 1.009 942 R HN 0.691 nan 8.270 nan 0.000 0.512 943 E N 0.636 120.879 120.200 0.072 0.000 2.311 943 E HA 0.307 4.672 4.350 0.025 0.000 0.281 943 E C -1.874 174.867 176.600 0.235 0.000 0.905 943 E CA -0.613 55.902 56.400 0.192 0.000 0.778 943 E CB 1.440 31.224 29.700 0.142 0.000 1.240 943 E HN -0.076 nan 8.360 nan 0.000 0.410 944 L N 4.473 125.890 121.223 0.325 0.000 2.349 944 L HA 0.573 4.929 4.340 0.025 0.000 0.278 944 L C -1.687 175.402 176.870 0.364 0.000 0.996 944 L CA -0.429 54.548 54.840 0.229 0.000 0.825 944 L CB 1.541 43.541 42.059 -0.098 0.000 1.243 944 L HN 0.447 nan 8.230 nan 0.000 0.412 945 N N 4.875 123.751 118.700 0.293 0.000 2.446 945 N HA 0.347 5.102 4.740 0.025 0.000 0.265 945 N C -1.884 173.862 175.510 0.394 0.000 0.975 945 N CA -0.185 53.032 53.050 0.278 0.000 0.928 945 N CB 1.653 40.246 38.487 0.175 0.000 1.160 945 N HN 0.565 nan 8.380 nan 0.000 0.495 946 Y N 1.353 121.813 120.300 0.267 0.000 2.362 946 Y HA 0.427 4.992 4.550 0.025 0.000 0.326 946 Y C 0.708 176.746 175.900 0.231 0.000 1.083 946 Y CA 0.078 58.338 58.100 0.266 0.000 1.073 946 Y CB 0.816 39.486 38.460 0.352 0.000 1.211 946 Y HN 0.799 nan 8.280 nan 0.000 0.433 947 G N 6.342 114.971 108.800 -0.285 0.000 2.574 947 G HA2 -0.293 3.682 3.960 0.025 0.000 0.286 947 G HA3 -0.293 3.682 3.960 0.025 0.000 0.286 947 G C -1.878 172.928 174.900 -0.157 0.000 1.212 947 G CA 0.099 45.042 45.100 -0.260 0.000 0.979 947 G HN 0.584 nan 8.290 nan 0.000 0.557 948 P HA 0.185 nan 4.420 nan 0.000 0.255 948 P C 0.202 177.288 177.300 -0.356 0.000 1.248 948 P CA 0.522 63.437 63.100 -0.309 0.000 0.807 948 P CB 0.026 31.483 31.700 -0.406 0.000 1.150 949 H N 0.527 119.522 119.070 -0.126 0.000 2.482 949 H HA 0.459 5.030 4.556 0.025 0.000 0.344 949 H C -0.020 174.980 175.328 -0.547 0.000 1.151 949 H CA 0.043 55.855 56.048 -0.394 0.000 1.300 949 H CB 1.629 30.920 29.762 -0.786 0.000 1.494 949 H HN 0.079 nan 8.280 nan 0.000 0.542 950 Q N 2.541 121.993 119.800 -0.579 0.000 2.263 950 Q HA 0.198 4.553 4.340 0.025 0.000 0.262 950 Q C -1.728 174.006 176.000 -0.444 0.000 0.984 950 Q CA -0.641 54.958 55.803 -0.341 0.000 0.813 950 Q CB 1.923 30.625 28.738 -0.059 0.000 1.299 950 Q HN 0.601 nan 8.270 nan 0.000 0.428 951 W N 4.233 125.486 121.300 -0.078 0.000 2.632 951 W HA 0.591 5.266 4.660 0.025 0.000 0.328 951 W C -0.102 176.503 176.519 0.143 0.000 1.044 951 W CA -0.818 56.463 57.345 -0.107 0.000 1.225 951 W CB 1.844 31.045 29.460 -0.432 0.000 1.396 951 W HN 0.486 nan 8.180 nan 0.000 0.499 952 R N 0.763 121.505 120.500 0.404 0.000 2.807 952 R HA 0.814 5.169 4.340 0.025 0.000 0.276 952 R C 0.189 176.764 176.300 0.459 0.000 0.979 952 R CA -0.571 55.776 56.100 0.412 0.000 0.928 952 R CB 2.346 32.799 30.300 0.255 0.000 1.191 952 R HN 0.753 nan 8.270 nan 0.000 0.471 953 G N 0.559 109.610 108.800 0.419 0.000 2.591 953 G HA2 0.012 3.987 3.960 0.025 0.000 0.104 953 G HA3 0.012 3.987 3.960 0.025 0.000 0.104 953 G C -1.734 173.298 174.900 0.220 0.000 1.097 953 G CA -0.292 45.032 45.100 0.374 0.000 1.076 953 G HN 0.512 nan 8.290 nan 0.000 0.485 954 D N -0.145 120.397 120.400 0.237 0.000 2.584 954 D HA 0.569 5.224 4.640 0.025 0.000 0.238 954 D C -0.653 175.672 176.300 0.041 0.000 1.302 954 D CA -0.417 53.602 54.000 0.031 0.000 0.884 954 D CB 0.069 40.914 40.800 0.074 0.000 1.456 954 D HN 0.617 nan 8.370 nan 0.000 0.528 955 F N -0.393 119.565 119.950 0.014 0.000 2.950 955 F HA 0.719 5.261 4.527 0.025 0.000 0.327 955 F C -1.333 174.443 175.800 -0.040 0.000 1.197 955 F CA -1.020 56.927 58.000 -0.089 0.000 0.954 955 F CB 0.639 39.585 39.000 -0.090 0.000 1.442 955 F HN -0.114 nan 8.300 nan 0.000 0.509 956 Q N 1.586 121.533 119.800 0.246 0.000 2.377 956 Q HA 0.647 5.002 4.340 0.025 0.000 0.271 956 Q C -1.383 174.722 176.000 0.175 0.000 1.077 956 Q CA -0.466 55.381 55.803 0.072 0.000 0.820 956 Q CB 2.727 31.369 28.738 -0.161 0.000 1.347 956 Q HN 0.886 nan 8.270 nan 0.000 0.444 957 F N -0.883 118.985 119.950 -0.137 0.000 2.711 957 F HA 0.776 5.318 4.527 0.025 0.000 0.313 957 F C -1.702 173.880 175.800 -0.363 0.000 1.141 957 F CA -1.053 56.792 58.000 -0.258 0.000 0.941 957 F CB 1.673 40.526 39.000 -0.247 0.000 1.349 957 F HN 0.582 nan 8.300 nan 0.000 0.464 958 N N 1.432 119.952 118.700 -0.300 0.000 2.277 958 N HA 0.671 5.426 4.740 0.025 0.000 0.286 958 N C -2.179 173.269 175.510 -0.103 0.000 1.140 958 N CA -0.686 52.184 53.050 -0.301 0.000 0.799 958 N CB 2.481 40.809 38.487 -0.266 0.000 1.596 958 N HN 1.134 nan 8.380 nan 0.000 0.473 959 I N 0.867 121.367 120.570 -0.116 0.000 2.586 959 I HA 0.690 4.875 4.170 0.025 0.000 0.288 959 I C -1.391 174.632 176.117 -0.156 0.000 1.147 959 I CA 0.059 61.246 61.300 -0.188 0.000 1.047 959 I CB 1.205 38.990 38.000 -0.358 0.000 1.244 959 I HN 1.019 nan 8.210 nan 0.000 0.429 960 S N 6.265 121.892 115.700 -0.122 0.000 2.636 960 S HA 0.519 5.005 4.470 0.025 0.000 0.268 960 S C -0.186 174.305 174.600 -0.182 0.000 1.159 960 S CA -1.006 57.114 58.200 -0.134 0.000 0.815 960 S CB 1.727 64.915 63.200 -0.020 0.000 1.130 960 S HN 0.652 nan 8.310 nan 0.000 0.471 961 R N 0.043 120.263 120.500 -0.468 0.000 2.335 961 R HA 0.204 4.559 4.340 0.025 0.000 0.223 961 R C -0.842 175.178 176.300 -0.466 0.000 0.940 961 R CA 0.261 56.089 56.100 -0.453 0.000 1.086 961 R CB -0.865 29.100 30.300 -0.558 0.000 1.073 961 R HN 0.656 nan 8.270 nan 0.000 0.504 962 Y N 0.599 120.887 120.300 -0.020 0.000 2.331 962 Y HA 0.185 4.750 4.550 0.025 0.000 0.334 962 Y C 0.699 176.414 175.900 -0.308 0.000 0.960 962 Y CA -1.123 56.879 58.100 -0.163 0.000 1.130 962 Y CB 1.475 39.784 38.460 -0.252 0.000 1.164 962 Y HN -0.071 nan 8.280 nan 0.000 0.458 963 S N 1.972 117.377 115.700 -0.492 0.000 2.585 963 S HA 0.034 4.519 4.470 0.025 0.000 0.273 963 S C 0.943 175.194 174.600 -0.581 0.000 1.339 963 S CA -0.697 56.795 58.200 -1.180 0.000 1.028 963 S CB 1.177 63.552 63.200 -1.375 0.000 0.906 963 S HN 0.748 nan 8.310 nan 0.000 0.528 964 Q N 0.892 120.355 119.800 -0.562 0.000 2.234 964 Q HA -0.204 4.151 4.340 0.025 0.000 0.206 964 Q C 2.116 177.967 176.000 -0.250 0.000 0.980 964 Q CA 1.744 57.366 55.803 -0.301 0.000 0.869 964 Q CB -0.418 28.177 28.738 -0.239 0.000 0.912 964 Q HN 0.953 nan 8.270 nan 0.000 0.436 965 Q N 0.497 120.102 119.800 -0.325 0.000 2.046 965 Q HA -0.192 4.163 4.340 0.025 0.000 0.200 965 Q C 2.137 178.027 176.000 -0.184 0.000 0.975 965 Q CA 1.228 56.904 55.803 -0.212 0.000 0.836 965 Q CB 0.088 28.714 28.738 -0.186 0.000 0.896 965 Q HN 0.393 nan 8.270 nan 0.000 0.428 966 Q N 0.185 119.851 119.800 -0.223 0.000 2.020 966 Q HA -0.193 4.162 4.340 0.025 0.000 0.202 966 Q C 2.283 178.162 176.000 -0.201 0.000 0.982 966 Q CA 1.493 57.178 55.803 -0.197 0.000 0.838 966 Q CB -0.176 28.423 28.738 -0.231 0.000 0.899 966 Q HN 0.451 nan 8.270 nan 0.000 0.423 967 L N 0.590 121.691 121.223 -0.204 0.000 1.991 967 L HA -0.308 4.047 4.340 0.025 0.000 0.221 967 L C 2.770 179.517 176.870 -0.204 0.000 1.079 967 L CA 2.171 56.894 54.840 -0.195 0.000 0.778 967 L CB -0.684 41.294 42.059 -0.135 0.000 0.893 967 L HN 0.525 nan 8.230 nan 0.000 0.437 968 M N -1.809 117.696 119.600 -0.160 0.000 2.460 968 M HA -0.125 4.370 4.480 0.025 0.000 0.263 968 M C 1.362 177.586 176.300 -0.126 0.000 1.071 968 M CA 1.664 56.880 55.300 -0.140 0.000 1.096 968 M CB -0.388 32.141 32.600 -0.118 0.000 1.408 968 M HN 0.123 nan 8.290 nan 0.000 0.463 969 E N 0.883 121.009 120.200 -0.124 0.000 2.472 969 E HA 0.113 4.478 4.350 0.025 0.000 0.196 969 E C -0.373 176.178 176.600 -0.081 0.000 1.033 969 E CA 0.229 56.580 56.400 -0.082 0.000 0.886 969 E CB 0.625 30.288 29.700 -0.062 0.000 0.944 969 E HN 0.406 nan 8.360 nan 0.000 0.492 970 T N 0.058 114.526 114.554 -0.143 0.000 2.767 970 T HA 0.124 4.489 4.350 0.025 0.000 0.284 970 T C 1.089 175.684 174.700 -0.174 0.000 0.973 970 T CA -0.385 61.631 62.100 -0.140 0.000 0.996 970 T CB 1.636 70.390 68.868 -0.190 0.000 0.927 970 T HN 0.045 nan 8.240 nan 0.000 0.456 971 S N 1.930 117.633 115.700 0.007 0.000 2.458 971 S HA 0.069 4.554 4.470 0.025 0.000 0.223 971 S C 0.277 174.961 174.600 0.139 0.000 1.019 971 S CA 0.258 58.561 58.200 0.171 0.000 0.937 971 S CB -0.229 63.212 63.200 0.401 0.000 0.788 971 S HN 0.750 nan 8.310 nan 0.000 0.511 972 H N 0.561 119.687 119.070 0.092 0.000 2.679 972 H HA 0.503 5.074 4.556 0.025 0.000 0.360 972 H C 0.940 176.315 175.328 0.077 0.000 1.105 972 H CA -0.735 55.439 56.048 0.210 0.000 1.196 972 H CB 1.557 31.474 29.762 0.257 0.000 1.636 972 H HN 0.145 nan 8.280 nan 0.000 0.531 973 R N 2.065 122.713 120.500 0.248 0.000 2.152 973 R HA -0.165 4.190 4.340 0.025 0.000 0.232 973 R C 1.088 177.439 176.300 0.085 0.000 1.117 973 R CA 1.770 57.933 56.100 0.104 0.000 0.981 973 R CB -0.376 30.011 30.300 0.145 0.000 0.870 973 R HN 0.763 nan 8.270 nan 0.000 0.451 974 H N 1.118 120.204 119.070 0.027 0.000 2.491 974 H HA 0.013 4.584 4.556 0.025 0.000 0.290 974 H C 1.669 176.926 175.328 -0.118 0.000 1.050 974 H CA 0.803 56.826 56.048 -0.041 0.000 1.309 974 H CB -0.364 29.382 29.762 -0.027 0.000 1.392 974 H HN 0.289 nan 8.280 nan 0.000 0.554 975 L N 0.699 121.545 121.223 -0.629 0.000 2.554 975 L HA 0.136 4.491 4.340 0.025 0.000 0.226 975 L C 0.694 177.418 176.870 -0.243 0.000 1.137 975 L CA -0.045 54.494 54.840 -0.502 0.000 0.863 975 L CB -0.088 41.690 42.059 -0.468 0.000 0.985 975 L HN 0.065 nan 8.230 nan 0.000 0.451 976 L N 0.482 121.557 121.223 -0.246 0.000 2.417 976 L HA 0.159 4.514 4.340 0.025 0.000 0.268 976 L C 0.239 177.046 176.870 -0.105 0.000 1.158 976 L CA -0.080 54.579 54.840 -0.302 0.000 0.819 976 L CB 0.488 42.160 42.059 -0.646 0.000 1.112 976 L HN 0.172 nan 8.230 nan 0.000 0.458 977 H N 1.369 120.449 119.070 0.016 0.000 2.717 977 H HA 0.620 5.191 4.556 0.025 0.000 0.366 977 H C -0.964 174.495 175.328 0.220 0.000 1.132 977 H CA -1.260 54.848 56.048 0.100 0.000 1.180 977 H CB 1.427 31.201 29.762 0.019 0.000 1.678 977 H HN 0.676 nan 8.280 nan 0.000 0.537 978 A N 3.444 126.417 122.820 0.255 0.000 2.488 978 A HA 0.126 4.461 4.320 0.025 0.000 0.249 978 A C 0.347 178.030 177.584 0.166 0.000 1.083 978 A CA -0.257 51.801 52.037 0.036 0.000 0.768 978 A CB -0.001 18.968 19.000 -0.050 0.000 1.017 978 A HN 0.832 nan 8.150 nan 0.000 0.496 979 E N 1.131 121.396 120.200 0.107 0.000 2.322 979 E HA 0.205 4.570 4.350 0.025 0.000 0.257 979 E C -0.155 176.490 176.600 0.075 0.000 1.155 979 E CA -0.633 55.879 56.400 0.186 0.000 0.936 979 E CB 0.692 30.575 29.700 0.305 0.000 1.130 979 E HN 0.783 nan 8.360 nan 0.000 0.465 980 E N -0.052 120.180 120.200 0.053 0.000 2.383 980 E HA 0.231 4.596 4.350 0.025 0.000 0.264 980 E C 0.308 176.858 176.600 -0.084 0.000 1.050 980 E CA 0.525 56.916 56.400 -0.016 0.000 0.896 980 E CB 0.597 30.284 29.700 -0.023 0.000 0.982 980 E HN 0.667 nan 8.360 nan 0.000 0.424 981 G N 2.190 110.943 108.800 -0.078 0.000 2.697 981 G HA2 -0.240 3.736 3.960 0.025 0.000 0.240 981 G HA3 -0.240 3.736 3.960 0.025 0.000 0.240 981 G C -0.568 174.257 174.900 -0.125 0.000 1.346 981 G CA -0.176 44.858 45.100 -0.109 0.000 0.887 981 G HN 0.566 nan 8.290 nan 0.000 0.569 982 T N 0.120 114.583 114.554 -0.152 0.000 2.848 982 T HA 0.503 4.868 4.350 0.025 0.000 0.285 982 T C -0.740 173.776 174.700 -0.307 0.000 0.995 982 T CA -0.149 61.860 62.100 -0.151 0.000 0.970 982 T CB 1.450 70.311 68.868 -0.011 0.000 0.976 982 T HN 0.551 nan 8.240 nan 0.000 0.441 983 W N 3.240 124.437 121.300 -0.172 0.000 2.335 983 W HA 0.577 5.252 4.660 0.025 0.000 0.306 983 W C -0.312 176.061 176.519 -0.243 0.000 1.216 983 W CA -0.626 56.613 57.345 -0.177 0.000 1.237 983 W CB 0.628 30.000 29.460 -0.148 0.000 1.243 983 W HN 0.354 nan 8.180 nan 0.000 0.493 984 L N 5.840 127.040 121.223 -0.039 0.000 2.313 984 L HA 0.504 4.859 4.340 0.025 0.000 0.283 984 L C -0.861 175.913 176.870 -0.161 0.000 1.013 984 L CA -0.365 54.334 54.840 -0.235 0.000 0.816 984 L CB 0.819 42.560 42.059 -0.529 0.000 1.236 984 L HN 0.306 nan 8.230 nan 0.000 0.419 985 N N 6.900 125.485 118.700 -0.191 0.000 2.524 985 N HA 0.423 5.178 4.740 0.025 0.000 0.261 985 N C -1.230 174.136 175.510 -0.240 0.000 0.998 985 N CA -0.229 52.713 53.050 -0.180 0.000 0.915 985 N CB 2.216 40.626 38.487 -0.128 0.000 1.187 985 N HN 0.543 nan 8.380 nan 0.000 0.507 986 I N 1.883 122.262 120.570 -0.318 0.000 2.355 986 I HA 0.212 4.397 4.170 0.025 0.000 0.288 986 I C -0.748 175.173 176.117 -0.327 0.000 0.999 986 I CA -0.528 60.536 61.300 -0.394 0.000 1.163 986 I CB 1.365 38.945 38.000 -0.699 0.000 1.316 986 I HN 0.191 nan 8.210 nan 0.000 0.454 987 D N 4.828 125.081 120.400 -0.244 0.000 2.192 987 D HA 0.285 4.940 4.640 0.025 0.000 0.246 987 D C 0.879 176.908 176.300 -0.452 0.000 1.042 987 D CA -0.216 53.586 54.000 -0.329 0.000 0.847 987 D CB 2.388 43.091 40.800 -0.161 0.000 1.186 987 D HN 0.691 nan 8.370 nan 0.000 0.461 988 G N 1.109 109.352 108.800 -0.928 0.000 2.408 988 G HA2 -0.005 3.970 3.960 0.025 0.000 0.215 988 G HA3 -0.005 3.970 3.960 0.025 0.000 0.215 988 G C 0.084 174.226 174.900 -1.262 0.000 1.156 988 G CA 0.426 44.804 45.100 -1.202 0.000 0.793 988 G HN 0.363 nan 8.290 nan 0.000 0.535 989 F N -1.324 118.397 119.950 -0.381 0.000 2.569 989 F HA 0.568 5.110 4.527 0.025 0.000 0.312 989 F C -0.549 175.132 175.800 -0.198 0.000 1.109 989 F CA -1.215 56.639 58.000 -0.243 0.000 0.919 989 F CB 2.071 40.832 39.000 -0.398 0.000 1.211 989 F HN 0.044 nan 8.300 nan 0.000 0.446 990 H N 2.641 121.697 119.070 -0.024 0.000 2.667 990 H HA 0.529 5.100 4.556 0.025 0.000 0.353 990 H C -0.640 174.705 175.328 0.027 0.000 1.072 990 H CA -0.908 55.114 56.048 -0.043 0.000 1.214 990 H CB 1.714 31.438 29.762 -0.064 0.000 1.600 990 H HN 0.786 nan 8.280 nan 0.000 0.527 991 M N 3.698 123.247 119.600 -0.086 0.000 2.245 991 M HA 0.255 4.750 4.480 0.025 0.000 0.330 991 M C 0.484 176.892 176.300 0.179 0.000 1.098 991 M CA 0.346 55.662 55.300 0.027 0.000 1.172 991 M CB 0.363 32.875 32.600 -0.147 0.000 1.467 991 M HN 0.836 nan 8.290 nan 0.000 0.454 992 G N 2.986 111.866 108.800 0.134 0.000 2.699 992 G HA2 0.271 4.246 3.960 0.025 0.000 0.246 992 G HA3 0.271 4.246 3.960 0.025 0.000 0.246 992 G C 0.657 175.537 174.900 -0.033 0.000 1.219 992 G CA -0.389 44.727 45.100 0.026 0.000 0.866 992 G HN 0.980 nan 8.290 nan 0.000 0.572 993 I N -1.440 119.061 120.570 -0.114 0.000 3.645 993 I HA 0.365 4.550 4.170 0.025 0.000 0.300 993 I C 1.249 177.304 176.117 -0.104 0.000 1.260 993 I CA 0.534 61.729 61.300 -0.175 0.000 1.365 993 I CB -0.697 37.099 38.000 -0.339 0.000 1.077 993 I HN 0.907 nan 8.210 nan 0.000 0.439 994 G N 1.785 110.549 108.800 -0.061 0.000 2.601 994 G HA2 -0.028 3.947 3.960 0.025 0.000 0.252 994 G HA3 -0.028 3.947 3.960 0.025 0.000 0.252 994 G C 0.633 175.537 174.900 0.006 0.000 1.294 994 G CA 0.279 45.381 45.100 0.003 0.000 0.912 994 G HN 1.456 nan 8.290 nan 0.000 0.574 995 G N -2.302 106.514 108.800 0.026 0.000 2.234 995 G HA2 -0.009 3.966 3.960 0.025 0.000 0.153 995 G HA3 -0.009 3.966 3.960 0.025 0.000 0.153 995 G C 0.623 175.578 174.900 0.091 0.000 1.013 995 G CA 0.918 46.041 45.100 0.040 0.000 0.712 995 G HN 1.002 nan 8.290 nan 0.000 0.491 996 D N 1.055 121.527 120.400 0.120 0.000 2.228 996 D HA 0.104 4.759 4.640 0.025 0.000 0.203 996 D C 1.018 177.356 176.300 0.063 0.000 0.988 996 D CA 2.129 56.265 54.000 0.226 0.000 0.864 996 D CB 0.157 41.094 40.800 0.229 0.000 0.928 996 D HN 0.829 nan 8.370 nan 0.000 0.469 997 D N -3.300 116.940 120.400 -0.267 0.000 2.599 997 D HA 0.284 4.939 4.640 0.025 0.000 0.252 997 D C -0.774 175.100 176.300 -0.711 0.000 1.232 997 D CA -0.717 52.720 54.000 -0.938 0.000 0.819 997 D CB 0.955 40.729 40.800 -1.709 0.000 1.401 997 D HN -0.311 nan 8.370 nan 0.000 0.429 998 S N -0.105 115.082 115.700 -0.854 0.000 2.664 998 S HA 0.249 4.734 4.470 0.025 0.000 0.245 998 S C -0.594 174.026 174.600 0.034 0.000 1.019 998 S CA -0.603 57.502 58.200 -0.159 0.000 0.996 998 S CB -0.473 62.867 63.200 0.233 0.000 0.878 998 S HN 0.601 nan 8.310 nan 0.000 0.493 999 W N 1.059 122.283 121.300 -0.127 0.000 1.948 999 W HA 0.582 5.257 4.660 0.024 0.000 0.300 999 W C -0.172 176.279 176.519 -0.113 0.000 0.890 999 W CA -0.636 56.619 57.345 -0.150 0.000 1.799 999 W CB -0.588 28.724 29.460 -0.246 0.000 1.073 999 W HN 0.139 nan 8.180 nan 0.000 0.499 1000 S N -1.051 114.546 115.700 -0.171 0.000 2.552 1000 S HA 0.629 5.114 4.470 0.025 0.000 0.272 1000 S C -3.192 171.351 174.600 -0.096 0.000 1.150 1000 S CA -1.494 56.642 58.200 -0.107 0.000 0.849 1000 S CB 1.614 64.764 63.200 -0.083 0.000 1.113 1000 S HN -0.176 nan 8.310 nan 0.000 0.458 1001 P HA 0.238 nan 4.420 nan 0.000 0.267 1001 P C 0.407 177.758 177.300 0.085 0.000 1.209 1001 P CA -0.087 63.032 63.100 0.032 0.000 0.763 1001 P CB 0.821 32.429 31.700 -0.154 0.000 0.816 1002 S N 0.763 116.554 115.700 0.152 0.000 2.733 1002 S HA 0.127 4.612 4.470 0.025 0.000 0.247 1002 S C 0.205 174.896 174.600 0.152 0.000 1.043 1002 S CA -0.279 57.982 58.200 0.102 0.000 1.066 1002 S CB -0.238 62.968 63.200 0.009 0.000 1.045 1002 S HN 0.108 nan 8.310 nan 0.000 0.586 1003 V N 3.018 123.065 119.914 0.221 0.000 2.439 1003 V HA 0.371 4.506 4.120 0.025 0.000 0.271 1003 V C 0.857 177.110 176.094 0.264 0.000 1.040 1003 V CA -0.296 62.128 62.300 0.206 0.000 1.002 1003 V CB 0.704 32.599 31.823 0.120 0.000 1.000 1003 V HN 0.509 nan 8.190 nan 0.000 0.477 1004 S N 4.085 119.952 115.700 0.279 0.000 2.573 1004 S HA 0.286 4.771 4.470 0.025 0.000 0.277 1004 S C 1.565 176.294 174.600 0.214 0.000 1.346 1004 S CA 0.096 58.442 58.200 0.244 0.000 1.034 1004 S CB 1.101 64.470 63.200 0.281 0.000 0.879 1004 S HN 0.993 nan 8.310 nan 0.000 0.528 1005 A N 3.221 126.121 122.820 0.134 0.000 1.940 1005 A HA -0.128 4.207 4.320 0.025 0.000 0.219 1005 A C 2.003 179.589 177.584 0.003 0.000 1.176 1005 A CA 1.754 53.852 52.037 0.102 0.000 0.631 1005 A CB -0.659 18.386 19.000 0.076 0.000 0.814 1005 A HN 0.953 nan 8.150 nan 0.000 0.446 1006 E N -0.660 119.457 120.200 -0.138 0.000 2.409 1006 E HA -0.134 4.231 4.350 0.025 0.000 0.198 1006 E C 0.716 177.008 176.600 -0.513 0.000 1.024 1006 E CA 0.788 56.977 56.400 -0.353 0.000 0.861 1006 E CB -0.486 28.887 29.700 -0.546 0.000 0.788 1006 E HN 0.704 nan 8.360 nan 0.000 0.521 1007 F N 1.048 121.046 119.950 0.081 0.000 2.653 1007 F HA 0.276 4.818 4.527 0.025 0.000 0.304 1007 F C 0.851 176.683 175.800 0.053 0.000 1.092 1007 F CA -0.546 57.500 58.000 0.078 0.000 1.279 1007 F CB 0.535 39.582 39.000 0.078 0.000 1.044 1007 F HN -0.202 nan 8.300 nan 0.000 0.564 1008 Q N 1.247 121.142 119.800 0.159 0.000 2.230 1008 Q HA 0.396 4.751 4.340 0.025 0.000 0.253 1008 Q C -0.079 175.939 176.000 0.030 0.000 0.919 1008 Q CA -0.568 55.301 55.803 0.111 0.000 0.908 1008 Q CB 2.077 30.958 28.738 0.237 0.000 1.245 1008 Q HN 0.254 nan 8.270 nan 0.000 0.437 1009 L N 2.593 123.823 121.223 0.013 0.000 2.391 1009 L HA 0.067 4.422 4.340 0.025 0.000 0.249 1009 L C 0.765 177.604 176.870 -0.052 0.000 1.308 1009 L CA 0.061 54.900 54.840 -0.002 0.000 1.209 1009 L CB -0.547 41.431 42.059 -0.136 0.000 1.401 1009 L HN 0.706 nan 8.230 nan 0.000 0.416 1010 S N -1.343 114.210 115.700 -0.244 0.000 2.540 1010 S HA 0.108 4.593 4.470 0.025 0.000 0.218 1010 S C 1.796 176.327 174.600 -0.114 0.000 0.977 1010 S CA 0.209 58.082 58.200 -0.545 0.000 0.918 1010 S CB 0.641 63.378 63.200 -0.770 0.000 0.806 1010 S HN 0.502 nan 8.310 nan 0.000 0.496 1011 A N 1.660 124.466 122.820 -0.023 0.000 2.076 1011 A HA 0.363 4.698 4.320 0.025 0.000 0.220 1011 A C 2.177 179.620 177.584 -0.235 0.000 1.160 1011 A CA 1.501 53.385 52.037 -0.256 0.000 0.653 1011 A CB -1.386 17.197 19.000 -0.695 0.000 0.801 1011 A HN 1.507 nan 8.150 nan 0.000 0.455 1012 G N -1.718 107.049 108.800 -0.056 0.000 2.498 1012 G HA2 -0.297 3.678 3.960 0.025 0.000 0.229 1012 G HA3 -0.297 3.678 3.960 0.025 0.000 0.229 1012 G C 0.461 175.336 174.900 -0.041 0.000 1.156 1012 G CA 0.508 45.609 45.100 0.002 0.000 0.680 1012 G HN 0.711 nan 8.290 nan 0.000 0.512 1013 R N -0.523 119.815 120.500 -0.270 0.000 2.538 1013 R HA 0.657 5.012 4.340 0.025 0.000 0.292 1013 R C -1.608 174.421 176.300 -0.451 0.000 1.008 1013 R CA -0.567 55.418 56.100 -0.191 0.000 0.896 1013 R CB 1.463 31.707 30.300 -0.094 0.000 1.187 1013 R HN 0.233 nan 8.270 nan 0.000 0.440 1014 Y N 0.394 120.686 120.300 -0.014 0.000 2.512 1014 Y HA 0.368 4.933 4.550 0.025 0.000 0.348 1014 Y C -0.412 175.611 175.900 0.206 0.000 0.990 1014 Y CA -0.837 57.208 58.100 -0.091 0.000 1.033 1014 Y CB 2.172 40.381 38.460 -0.418 0.000 1.259 1014 Y HN 0.561 nan 8.280 nan 0.000 0.461 1015 H N 2.538 121.850 119.070 0.403 0.000 2.667 1015 H HA 0.595 5.166 4.556 0.025 0.000 0.353 1015 H C -1.748 173.967 175.328 0.645 0.000 1.072 1015 H CA -0.931 55.356 56.048 0.399 0.000 1.214 1015 H CB 1.147 31.044 29.762 0.226 0.000 1.600 1015 H HN 0.581 nan 8.280 nan 0.000 0.527 1016 Y N 1.946 122.091 120.300 -0.258 0.000 2.609 1016 Y HA 0.479 5.044 4.550 0.025 0.000 0.336 1016 Y C -1.846 173.858 175.900 -0.327 0.000 1.129 1016 Y CA -1.077 56.921 58.100 -0.171 0.000 1.040 1016 Y CB 1.551 40.025 38.460 0.022 0.000 1.310 1016 Y HN 0.771 nan 8.280 nan 0.000 0.460 1017 Q N 2.582 122.304 119.800 -0.130 0.000 2.315 1017 Q HA 0.745 5.100 4.340 0.025 0.000 0.273 1017 Q C -2.489 173.576 176.000 0.107 0.000 1.053 1017 Q CA -0.798 54.943 55.803 -0.104 0.000 0.817 1017 Q CB 2.548 31.277 28.738 -0.016 0.000 1.326 1017 Q HN 0.900 nan 8.270 nan 0.000 0.423 1018 L N 2.252 123.528 121.223 0.089 0.000 2.388 1018 L HA 0.724 5.079 4.340 0.025 0.000 0.264 1018 L C -1.051 175.936 176.870 0.195 0.000 0.998 1018 L CA -1.123 53.824 54.840 0.178 0.000 0.817 1018 L CB 2.472 44.623 42.059 0.153 0.000 1.338 1018 L HN 0.402 nan 8.230 nan 0.000 0.414 1019 V N 1.015 121.074 119.914 0.241 0.000 2.378 1019 V HA 0.378 4.513 4.120 0.025 0.000 0.288 1019 V C -1.216 175.068 176.094 0.317 0.000 1.016 1019 V CA -0.345 62.103 62.300 0.247 0.000 0.840 1019 V CB 1.708 33.647 31.823 0.194 0.000 0.994 1019 V HN 0.610 nan 8.190 nan 0.000 0.431 1020 W N 7.249 128.615 121.300 0.109 0.000 2.478 1020 W HA 0.728 5.404 4.660 0.025 0.000 0.318 1020 W C -0.166 176.370 176.519 0.028 0.000 1.062 1020 W CA -1.149 56.205 57.345 0.015 0.000 1.210 1020 W CB 1.408 30.922 29.460 0.090 0.000 1.325 1020 W HN 0.865 nan 8.180 nan 0.000 0.496 1021 C N 3.733 123.346 119.300 0.522 0.000 3.316 1021 C HA 0.629 5.104 4.460 0.025 0.000 0.360 1021 C C -0.920 174.182 174.990 0.187 0.000 1.560 1021 C CA -0.842 58.351 59.018 0.291 0.000 1.229 1021 C CB 1.533 29.381 27.740 0.180 0.000 1.823 1021 C HN 0.686 nan 8.230 nan 0.000 0.440 1022 Q N 1.457 121.304 119.800 0.079 0.000 2.271 1022 Q HA 0.469 4.824 4.340 0.025 0.000 0.258 1022 Q C -0.537 175.447 176.000 -0.026 0.000 0.936 1022 Q CA -0.232 55.559 55.803 -0.019 0.000 0.909 1022 Q CB 1.450 30.159 28.738 -0.048 0.000 1.253 1022 Q HN 0.749 nan 8.270 nan 0.000 0.440 1023 K N 0.000 120.363 120.400 -0.062 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1023 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543