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 3dyp_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETNGMVP 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 0.000 176.094 176.300 -0.343 0.000 0.893 13 R CA 0.000 55.973 56.100 -0.211 0.000 0.921 13 R CB 0.000 30.179 30.300 -0.202 0.000 0.687 14 R N 2.045 122.219 120.500 -0.542 0.000 3.225 14 R HA -0.162 4.193 4.340 0.025 0.000 0.245 14 R C -0.316 175.454 176.300 -0.884 0.000 0.928 14 R CA 0.931 56.289 56.100 -1.238 0.000 0.632 14 R CB -1.447 28.221 30.300 -1.052 0.000 1.038 14 R HN 0.306 nan 8.270 nan 0.000 0.461 15 D N 0.003 120.089 120.400 -0.524 0.000 2.309 15 D HA -0.158 4.497 4.640 0.025 0.000 0.212 15 D C 1.570 177.762 176.300 -0.179 0.000 0.968 15 D CA 1.545 55.306 54.000 -0.397 0.000 0.882 15 D CB -0.091 40.297 40.800 -0.688 0.000 0.918 15 D HN 0.731 nan 8.370 nan 0.000 0.503 16 W N 1.323 122.624 121.300 0.001 0.000 3.292 16 W HA 0.225 4.900 4.660 0.024 0.000 0.263 16 W C 0.257 176.861 176.519 0.142 0.000 1.318 16 W CA -0.341 57.111 57.345 0.178 0.000 1.663 16 W CB -0.221 29.397 29.460 0.264 0.000 1.114 16 W HN -0.212 nan 8.180 nan 0.000 0.706 17 E N 1.449 121.510 120.200 -0.232 0.000 3.858 17 E HA 0.070 4.435 4.350 0.025 0.000 0.208 17 E C -0.841 175.597 176.600 -0.270 0.000 1.041 17 E CA -0.239 56.047 56.400 -0.190 0.000 1.368 17 E CB -0.160 29.399 29.700 -0.235 0.000 1.176 17 E HN 0.030 nan 8.360 nan 0.000 0.448 18 N N 1.125 119.704 118.700 -0.203 0.000 2.699 18 N HA 0.113 4.868 4.740 0.025 0.000 0.271 18 N C -2.474 172.894 175.510 -0.235 0.000 1.216 18 N CA -1.692 51.207 53.050 -0.252 0.000 0.844 18 N CB 1.425 39.776 38.487 -0.228 0.000 1.462 18 N HN -0.145 nan 8.380 nan 0.000 0.555 19 P HA 0.095 nan 4.420 nan 0.000 0.234 19 P C 1.026 178.092 177.300 -0.391 0.000 1.167 19 P CA 0.571 63.350 63.100 -0.535 0.000 0.763 19 P CB 0.103 30.998 31.700 -1.340 0.000 0.835 20 G N -0.668 107.948 108.800 -0.306 0.000 2.880 20 G HA2 0.106 4.081 3.960 0.025 0.000 0.209 20 G HA3 0.106 4.081 3.960 0.025 0.000 0.209 20 G C 0.175 174.994 174.900 -0.134 0.000 1.157 20 G CA 0.163 45.132 45.100 -0.219 0.000 0.779 20 G HN 0.196 nan 8.290 nan 0.000 0.539 21 V N 1.694 121.545 119.914 -0.105 0.000 2.357 21 V HA 0.269 4.404 4.120 0.025 0.000 0.281 21 V C 0.828 176.972 176.094 0.083 0.000 1.015 21 V CA 0.048 62.334 62.300 -0.023 0.000 0.827 21 V CB 1.230 33.015 31.823 -0.063 0.000 1.018 21 V HN 0.318 nan 8.190 nan 0.000 0.432 22 T N 0.608 115.210 114.554 0.080 0.000 3.069 22 T HA 0.377 4.742 4.350 0.025 0.000 0.252 22 T C 0.262 175.028 174.700 0.110 0.000 1.053 22 T CA 0.140 62.301 62.100 0.103 0.000 0.964 22 T CB 0.300 69.177 68.868 0.015 0.000 1.005 22 T HN 0.693 nan 8.240 nan 0.000 0.532 23 Q N 0.099 120.011 119.800 0.186 0.000 2.829 23 Q HA 0.673 5.028 4.340 0.025 0.000 0.296 23 Q C -2.288 173.856 176.000 0.240 0.000 0.893 23 Q CA -1.052 54.850 55.803 0.166 0.000 0.772 23 Q CB 0.744 29.484 28.738 0.004 0.000 1.489 23 Q HN 0.216 nan 8.270 nan 0.000 0.420 24 L N 1.379 122.760 121.223 0.263 0.000 2.505 24 L HA 0.592 4.947 4.340 0.025 0.000 0.266 24 L C -0.645 176.344 176.870 0.198 0.000 0.954 24 L CA -0.850 54.142 54.840 0.253 0.000 0.852 24 L CB 2.012 44.334 42.059 0.438 0.000 1.282 24 L HN 0.851 nan 8.230 nan 0.000 0.403 25 N N 0.742 119.528 118.700 0.143 0.000 2.778 25 N HA -0.211 4.544 4.740 0.025 0.000 0.249 25 N C 0.236 175.826 175.510 0.133 0.000 1.069 25 N CA 0.901 54.025 53.050 0.124 0.000 0.831 25 N CB -0.787 37.725 38.487 0.042 0.000 1.142 25 N HN 0.658 nan 8.380 nan 0.000 0.573 26 R N 1.061 121.562 120.500 0.001 0.000 2.438 26 R HA 0.352 4.707 4.340 0.025 0.000 0.287 26 R C 0.501 176.654 176.300 -0.245 0.000 1.077 26 R CA -0.261 55.600 56.100 -0.397 0.000 1.034 26 R CB 0.496 30.559 30.300 -0.396 0.000 0.993 26 R HN 0.131 nan 8.270 nan 0.000 0.459 27 L N 2.975 124.030 121.223 -0.279 0.000 2.466 27 L HA 0.319 4.674 4.340 0.025 0.000 0.257 27 L C 0.647 177.461 176.870 -0.094 0.000 1.189 27 L CA -0.619 54.152 54.840 -0.115 0.000 0.813 27 L CB 0.915 42.929 42.059 -0.074 0.000 1.118 27 L HN 0.798 nan 8.230 nan 0.000 0.471 28 A N 1.308 124.114 122.820 -0.023 0.000 2.520 28 A HA 0.446 4.781 4.320 0.025 0.000 0.235 28 A C 0.266 177.848 177.584 -0.003 0.000 1.065 28 A CA 0.063 52.094 52.037 -0.009 0.000 0.764 28 A CB 0.122 19.143 19.000 0.034 0.000 1.002 28 A HN 0.781 nan 8.150 nan 0.000 0.502 29 A N 1.436 124.206 122.820 -0.082 0.000 2.351 29 A HA 0.694 5.029 4.320 0.025 0.000 0.257 29 A C 0.070 177.549 177.584 -0.176 0.000 1.087 29 A CA 0.398 52.309 52.037 -0.210 0.000 0.798 29 A CB -0.016 18.858 19.000 -0.210 0.000 1.033 29 A HN 1.880 nan 8.150 nan 0.000 0.488 30 H N -1.960 116.956 119.070 -0.257 0.000 2.950 30 H HA 0.649 5.220 4.556 0.025 0.000 0.307 30 H C -3.410 171.628 175.328 -0.483 0.000 1.403 30 H CA -1.835 53.996 56.048 -0.363 0.000 1.145 30 H CB 0.098 29.541 29.762 -0.532 0.000 1.844 30 H HN 0.374 nan 8.280 nan 0.000 0.515 31 P HA 0.224 nan 4.420 nan 0.000 0.274 31 P C -2.594 174.543 177.300 -0.270 0.000 1.256 31 P CA -1.461 61.434 63.100 -0.342 0.000 0.795 31 P CB -0.208 31.215 31.700 -0.461 0.000 1.038 32 P HA 0.041 nan 4.420 nan 0.000 0.261 32 P C -0.784 176.711 177.300 0.324 0.000 1.183 32 P CA 1.145 64.287 63.100 0.069 0.000 0.761 32 P CB -0.149 31.637 31.700 0.144 0.000 0.785 33 F N 1.448 121.507 119.950 0.181 0.000 2.556 33 F HA 0.618 5.160 4.527 0.025 0.000 0.327 33 F C 1.018 176.751 175.800 -0.111 0.000 1.059 33 F CA -1.017 57.026 58.000 0.072 0.000 0.953 33 F CB 2.120 41.110 39.000 -0.017 0.000 1.227 33 F HN 0.203 nan 8.300 nan 0.000 0.478 34 A N 0.225 122.980 122.820 -0.109 0.000 2.664 34 A HA 0.238 4.573 4.320 0.025 0.000 0.222 34 A C 0.616 177.897 177.584 -0.506 0.000 1.320 34 A CA 0.407 52.125 52.037 -0.532 0.000 1.029 34 A CB -0.118 18.033 19.000 -1.416 0.000 1.318 34 A HN 0.749 nan 8.150 nan 0.000 0.589 35 S N 0.507 116.023 115.700 -0.307 0.000 3.550 35 S HA -0.152 4.333 4.470 0.025 0.000 0.372 35 S C 0.065 174.591 174.600 -0.122 0.000 0.966 35 S CA 0.487 58.564 58.200 -0.204 0.000 1.229 35 S CB -1.570 61.516 63.200 -0.190 0.000 0.917 35 S HN 0.476 nan 8.310 nan 0.000 0.496 36 W N 1.334 122.614 121.300 -0.032 0.000 2.137 36 W HA 0.235 4.910 4.660 0.024 0.000 0.344 36 W C 1.359 177.855 176.519 -0.039 0.000 1.286 36 W CA -0.511 56.820 57.345 -0.024 0.000 1.240 36 W CB 0.207 29.654 29.460 -0.022 0.000 1.141 36 W HN 0.315 nan 8.180 nan 0.000 0.579 37 R N 1.829 122.453 120.500 0.206 0.000 2.577 37 R HA 0.097 4.452 4.340 0.025 0.000 0.344 37 R C -0.126 176.225 176.300 0.086 0.000 1.037 37 R CA -0.155 56.007 56.100 0.103 0.000 1.102 37 R CB -0.147 30.183 30.300 0.049 0.000 1.313 37 R HN 0.372 nan 8.270 nan 0.000 0.561 38 N N 0.020 118.781 118.700 0.102 0.000 2.454 38 N HA 0.114 4.869 4.740 0.025 0.000 0.291 38 N C -0.189 175.287 175.510 -0.057 0.000 1.079 38 N CA -0.026 53.035 53.050 0.018 0.000 0.893 38 N CB 1.901 40.397 38.487 0.015 0.000 1.512 38 N HN -0.252 nan 8.380 nan 0.000 0.497 39 S N 2.257 117.904 115.700 -0.089 0.000 2.402 39 S HA -0.136 4.349 4.470 0.025 0.000 0.229 39 S C 1.383 175.813 174.600 -0.284 0.000 1.021 39 S CA 0.946 59.052 58.200 -0.156 0.000 0.974 39 S CB 0.038 63.176 63.200 -0.104 0.000 0.800 39 S HN 0.749 nan 8.310 nan 0.000 0.484 40 E N 1.727 121.771 120.200 -0.261 0.000 2.150 40 E HA -0.122 4.243 4.350 0.025 0.000 0.193 40 E C 1.808 178.176 176.600 -0.388 0.000 0.985 40 E CA 1.032 57.233 56.400 -0.332 0.000 0.814 40 E CB -0.123 29.437 29.700 -0.233 0.000 0.752 40 E HN 0.268 nan 8.360 nan 0.000 0.466 41 E N 0.192 120.172 120.200 -0.368 0.000 2.106 41 E HA -0.126 4.239 4.350 0.025 0.000 0.192 41 E C 1.979 177.948 176.600 -1.051 0.000 0.984 41 E CA 1.117 57.243 56.400 -0.457 0.000 0.806 41 E CB -0.473 29.085 29.700 -0.236 0.000 0.750 41 E HN 0.391 nan 8.360 nan 0.000 0.458 42 A N 1.515 123.539 122.820 -1.326 0.000 1.898 42 A HA -0.177 4.158 4.320 0.025 0.000 0.216 42 A C 2.236 179.211 177.584 -1.015 0.000 1.181 42 A CA 1.565 52.486 52.037 -1.860 0.000 0.620 42 A CB -0.476 18.010 19.000 -0.856 0.000 0.819 42 A HN 0.135 nan 8.150 nan 0.000 0.442 43 R N -0.135 119.965 120.500 -0.667 0.000 2.091 43 R HA -0.141 4.214 4.340 0.025 0.000 0.238 43 R C 1.974 178.022 176.300 -0.421 0.000 1.136 43 R CA 2.130 57.908 56.100 -0.538 0.000 0.959 43 R CB -0.468 29.398 30.300 -0.724 0.000 0.856 43 R HN 0.622 nan 8.270 nan 0.000 0.437 44 T N -2.664 111.646 114.554 -0.407 0.000 3.129 44 T HA 0.037 4.402 4.350 0.025 0.000 0.251 44 T C 0.306 174.910 174.700 -0.159 0.000 1.117 44 T CA 0.545 62.497 62.100 -0.246 0.000 1.034 44 T CB 0.041 68.789 68.868 -0.199 0.000 0.968 44 T HN 0.380 nan 8.240 nan 0.000 0.526 45 D N 0.742 121.003 120.400 -0.233 0.000 2.870 45 D HA -0.161 4.494 4.640 0.025 0.000 0.228 45 D C 0.075 176.498 176.300 0.205 0.000 1.147 45 D CA 0.463 54.484 54.000 0.034 0.000 0.757 45 D CB -1.075 39.792 40.800 0.112 0.000 1.091 45 D HN 0.584 nan 8.370 nan 0.000 0.429 46 R N -0.051 120.530 120.500 0.136 0.000 2.583 46 R HA 0.502 4.857 4.340 0.025 0.000 0.268 46 R C -2.138 174.423 176.300 0.434 0.000 1.101 46 R CA -1.433 54.797 56.100 0.218 0.000 1.180 46 R CB 0.221 30.582 30.300 0.102 0.000 1.128 46 R HN 0.058 nan 8.270 nan 0.000 0.568 47 P HA -0.042 nan 4.420 nan 0.000 0.266 47 P C -0.815 176.647 177.300 0.269 0.000 1.195 47 P CA 0.237 63.480 63.100 0.238 0.000 0.768 47 P CB 0.792 32.581 31.700 0.147 0.000 0.838 48 S N 1.834 117.594 115.700 0.099 0.000 2.475 48 S HA 0.148 4.633 4.470 0.025 0.000 0.298 48 S C 0.918 175.542 174.600 0.041 0.000 1.119 48 S CA -0.549 57.645 58.200 -0.009 0.000 1.085 48 S CB 0.616 63.499 63.200 -0.529 0.000 1.028 48 S HN 0.212 nan 8.310 nan 0.000 0.489 49 Q N 2.573 122.428 119.800 0.091 0.000 2.437 49 Q HA 0.008 4.363 4.340 0.025 0.000 0.210 49 Q C 0.852 176.965 176.000 0.188 0.000 0.972 49 Q CA 1.083 56.969 55.803 0.137 0.000 0.903 49 Q CB -0.141 28.676 28.738 0.132 0.000 0.967 49 Q HN 0.702 nan 8.270 nan 0.000 0.486 50 Q N -0.373 119.455 119.800 0.047 0.000 2.360 50 Q HA 0.141 4.495 4.340 0.025 0.000 0.202 50 Q C -0.409 175.655 176.000 0.107 0.000 0.915 50 Q CA 0.069 55.852 55.803 -0.033 0.000 0.943 50 Q CB 0.455 29.076 28.738 -0.194 0.000 1.064 50 Q HN 0.027 nan 8.270 nan 0.000 0.511 51 L N 0.821 122.120 121.223 0.127 0.000 2.353 51 L HA 0.437 4.792 4.340 0.025 0.000 0.270 51 L C -1.131 175.836 176.870 0.161 0.000 1.003 51 L CA -0.367 54.546 54.840 0.123 0.000 0.862 51 L CB 0.935 42.975 42.059 -0.032 0.000 1.221 51 L HN -0.101 nan 8.230 nan 0.000 0.430 52 R N 2.312 122.935 120.500 0.206 0.000 2.532 52 R HA 0.587 4.942 4.340 0.025 0.000 0.295 52 R C -0.387 175.927 176.300 0.023 0.000 0.968 52 R CA -0.648 55.504 56.100 0.087 0.000 0.916 52 R CB 1.898 32.188 30.300 -0.016 0.000 1.124 52 R HN 0.648 nan 8.270 nan 0.000 0.463 53 S N 2.142 117.848 115.700 0.009 0.000 2.537 53 S HA 0.249 4.734 4.470 0.025 0.000 0.275 53 S C 0.601 175.187 174.600 -0.022 0.000 1.272 53 S CA -0.651 57.545 58.200 -0.006 0.000 1.050 53 S CB 0.504 63.714 63.200 0.015 0.000 0.961 53 S HN 0.560 nan 8.310 nan 0.000 0.496 54 L N 3.607 124.813 121.223 -0.027 0.000 2.818 54 L HA 0.304 4.659 4.340 0.025 0.000 0.243 54 L C 0.207 177.202 176.870 0.209 0.000 1.185 54 L CA -0.407 54.434 54.840 0.002 0.000 0.988 54 L CB -0.354 41.650 42.059 -0.091 0.000 1.292 54 L HN 0.515 nan 8.230 nan 0.000 0.519 55 N N 1.283 120.059 118.700 0.127 0.000 2.453 55 N HA 0.487 5.242 4.740 0.025 0.000 0.253 55 N C 0.643 176.272 175.510 0.199 0.000 1.252 55 N CA 0.975 54.113 53.050 0.147 0.000 0.917 55 N CB 1.361 39.873 38.487 0.041 0.000 1.117 55 N HN 0.301 nan 8.380 nan 0.000 0.442 56 G N 0.454 109.399 108.800 0.242 0.000 2.292 56 G HA2 -0.077 3.898 3.960 0.025 0.000 0.194 56 G HA3 -0.077 3.898 3.960 0.025 0.000 0.194 56 G C -1.537 173.568 174.900 0.342 0.000 1.329 56 G CA -0.781 44.450 45.100 0.218 0.000 1.100 56 G HN 0.458 nan 8.290 nan 0.000 0.470 57 E N 0.205 120.571 120.200 0.278 0.000 2.223 57 E HA 0.438 4.803 4.350 0.025 0.000 0.282 57 E C -0.920 175.912 176.600 0.386 0.000 1.046 57 E CA -0.121 56.457 56.400 0.297 0.000 0.857 57 E CB 0.992 30.791 29.700 0.165 0.000 1.055 57 E HN 0.340 nan 8.360 nan 0.000 0.409 58 W N 1.715 123.107 121.300 0.153 0.000 2.869 58 W HA 0.403 5.078 4.660 0.025 0.000 0.345 58 W C 0.290 176.942 176.519 0.222 0.000 1.191 58 W CA -0.697 56.770 57.345 0.204 0.000 1.104 58 W CB 0.724 30.361 29.460 0.296 0.000 1.471 58 W HN 0.183 nan 8.180 nan 0.000 0.612 59 R N 1.211 122.009 120.500 0.496 0.000 2.604 59 R HA 0.625 4.980 4.340 0.025 0.000 0.287 59 R C -1.582 174.990 176.300 0.453 0.000 0.970 59 R CA -0.921 55.405 56.100 0.377 0.000 0.946 59 R CB 1.511 31.969 30.300 0.263 0.000 1.127 59 R HN 0.458 nan 8.270 nan 0.000 0.473 60 F N 0.205 120.211 119.950 0.093 0.000 2.608 60 F HA 0.608 5.150 4.527 0.025 0.000 0.309 60 F C -1.619 174.032 175.800 -0.247 0.000 1.103 60 F CA -0.596 57.310 58.000 -0.156 0.000 0.954 60 F CB 1.983 40.785 39.000 -0.330 0.000 1.267 60 F HN 0.625 nan 8.300 nan 0.000 0.444 61 A N 4.351 126.410 122.820 -1.269 0.000 2.422 61 A HA 0.593 4.928 4.320 0.025 0.000 0.302 61 A C -2.363 174.197 177.584 -1.708 0.000 1.041 61 A CA -0.539 50.816 52.037 -1.137 0.000 0.708 61 A CB 0.775 19.390 19.000 -0.641 0.000 1.257 61 A HN 0.938 nan 8.150 nan 0.000 0.414 62 W N 2.716 123.086 121.300 -1.550 0.000 2.438 62 W HA 0.744 5.419 4.660 0.025 0.000 0.324 62 W C -1.745 174.034 176.519 -1.234 0.000 1.119 62 W CA -0.357 56.220 57.345 -1.281 0.000 1.221 62 W CB 0.940 29.962 29.460 -0.730 0.000 1.253 62 W HN 0.498 nan 8.180 nan 0.000 0.555 63 F N 5.745 124.999 119.950 -1.159 0.000 2.593 63 F HA 0.392 4.934 4.527 0.025 0.000 0.320 63 F C -1.292 173.594 175.800 -1.524 0.000 1.060 63 F CA -2.217 55.215 58.000 -0.946 0.000 0.940 63 F CB 1.872 40.473 39.000 -0.664 0.000 1.268 63 F HN 0.205 nan 8.300 nan 0.000 0.475 64 P HA 0.160 nan 4.420 nan 0.000 0.236 64 P C -0.521 176.635 177.300 -0.239 0.000 1.177 64 P CA 0.700 63.492 63.100 -0.512 0.000 0.773 64 P CB 0.701 32.394 31.700 -0.012 0.000 0.878 65 A N -0.258 122.433 122.820 -0.215 0.000 2.594 65 A HA 0.494 4.829 4.320 0.025 0.000 0.296 65 A C -2.429 175.045 177.584 -0.182 0.000 1.056 65 A CA -0.962 51.002 52.037 -0.121 0.000 0.693 65 A CB 0.473 19.466 19.000 -0.011 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.408 66 P HA -0.144 nan 4.420 nan 0.000 0.218 66 P C 0.730 177.924 177.300 -0.177 0.000 1.148 66 P CA 1.512 64.468 63.100 -0.239 0.000 0.822 66 P CB 0.269 31.797 31.700 -0.288 0.000 0.784 67 E N 0.074 120.232 120.200 -0.071 0.000 2.333 67 E HA -0.056 4.308 4.350 0.025 0.000 0.198 67 E C 1.993 178.514 176.600 -0.132 0.000 1.007 67 E CA 1.171 57.539 56.400 -0.053 0.000 0.845 67 E CB -0.824 28.881 29.700 0.010 0.000 0.766 67 E HN 0.268 nan 8.360 nan 0.000 0.507 68 A N 0.202 122.905 122.820 -0.195 0.000 2.275 68 A HA 0.116 4.451 4.320 0.025 0.000 0.212 68 A C 0.633 177.878 177.584 -0.565 0.000 1.201 68 A CA -0.180 51.719 52.037 -0.230 0.000 0.843 68 A CB 0.327 19.279 19.000 -0.079 0.000 0.873 68 A HN 0.030 nan 8.150 nan 0.000 0.492 69 V N 2.465 121.937 119.914 -0.737 0.000 2.508 69 V HA 0.187 4.322 4.120 0.025 0.000 0.281 69 V C -2.256 173.461 176.094 -0.629 0.000 1.041 69 V CA -1.337 60.285 62.300 -1.130 0.000 1.016 69 V CB 0.607 31.849 31.823 -0.967 0.000 0.984 69 V HN 0.261 nan 8.190 nan 0.000 0.478 70 P HA 0.230 nan 4.420 nan 0.000 0.271 70 P C 0.361 177.581 177.300 -0.134 0.000 1.216 70 P CA -0.312 62.649 63.100 -0.232 0.000 0.776 70 P CB 0.835 32.459 31.700 -0.126 0.000 0.881 71 E N 0.802 120.943 120.200 -0.098 0.000 2.204 71 E HA -0.178 4.187 4.350 0.025 0.000 0.195 71 E C 1.869 178.436 176.600 -0.055 0.000 0.990 71 E CA 1.590 57.942 56.400 -0.080 0.000 0.821 71 E CB -0.543 29.115 29.700 -0.069 0.000 0.750 71 E HN 0.528 nan 8.360 nan 0.000 0.477 72 S N -0.055 115.631 115.700 -0.023 0.000 2.387 72 S HA -0.261 4.224 4.470 0.025 0.000 0.230 72 S C 1.843 176.454 174.600 0.019 0.000 1.035 72 S CA 1.002 59.199 58.200 -0.005 0.000 1.014 72 S CB -0.921 62.287 63.200 0.013 0.000 0.836 72 S HN 0.593 nan 8.310 nan 0.000 0.466 73 W N 2.315 123.517 121.300 -0.164 0.000 2.341 73 W HA -0.048 4.626 4.660 0.025 0.000 0.283 73 W C 1.690 178.094 176.519 -0.192 0.000 1.215 73 W CA 1.200 58.447 57.345 -0.164 0.000 1.211 73 W CB -0.338 29.000 29.460 -0.202 0.000 1.131 73 W HN 0.286 nan 8.180 nan 0.000 0.552 74 L N 0.068 121.082 121.223 -0.348 0.000 2.141 74 L HA -0.158 4.197 4.340 0.025 0.000 0.209 74 L C 2.387 179.035 176.870 -0.370 0.000 1.094 74 L CA 1.323 55.814 54.840 -0.581 0.000 0.763 74 L CB -0.628 41.115 42.059 -0.526 0.000 0.908 74 L HN -0.004 nan 8.230 nan 0.000 0.437 75 E N -1.132 118.934 120.200 -0.224 0.000 2.290 75 E HA 0.041 4.406 4.350 0.025 0.000 0.197 75 E C 0.473 176.998 176.600 -0.124 0.000 0.948 75 E CA 0.556 56.875 56.400 -0.136 0.000 0.895 75 E CB 0.866 30.520 29.700 -0.077 0.000 0.865 75 E HN 0.508 nan 8.360 nan 0.000 0.486 76 C N -0.233 118.995 119.300 -0.120 0.000 3.239 76 C HA 0.475 4.950 4.460 0.025 0.000 0.317 76 C C -0.515 174.456 174.990 -0.032 0.000 1.310 76 C CA -1.361 57.611 59.018 -0.077 0.000 1.371 76 C CB 1.157 28.875 27.740 -0.037 0.000 1.714 76 C HN 0.099 nan 8.230 nan 0.000 0.473 77 D N 0.829 121.227 120.400 -0.002 0.000 2.525 77 D HA 0.313 4.968 4.640 0.025 0.000 0.235 77 D C -0.199 176.171 176.300 0.117 0.000 1.137 77 D CA 0.433 54.475 54.000 0.071 0.000 0.868 77 D CB 0.492 41.326 40.800 0.057 0.000 1.180 77 D HN 0.587 nan 8.370 nan 0.000 0.465 78 L N 6.022 127.364 121.223 0.198 0.000 2.319 78 L HA 0.253 4.608 4.340 0.025 0.000 0.280 78 L C -1.267 175.664 176.870 0.102 0.000 1.099 78 L CA -1.524 53.411 54.840 0.158 0.000 0.828 78 L CB 1.192 43.361 42.059 0.183 0.000 1.150 78 L HN 0.494 nan 8.230 nan 0.000 0.442 79 P HA -0.159 nan 4.420 nan 0.000 0.218 79 P C 0.795 178.123 177.300 0.048 0.000 1.148 79 P CA 1.116 64.249 63.100 0.055 0.000 0.822 79 P CB 0.277 32.002 31.700 0.042 0.000 0.784 80 E N -0.212 120.013 120.200 0.042 0.000 2.347 80 E HA 0.079 4.444 4.350 0.025 0.000 0.196 80 E C 1.097 177.705 176.600 0.013 0.000 1.008 80 E CA 0.265 56.677 56.400 0.019 0.000 0.852 80 E CB -0.640 29.056 29.700 -0.006 0.000 0.783 80 E HN 0.209 nan 8.360 nan 0.000 0.505 81 A N 1.373 124.211 122.820 0.030 0.000 2.448 81 A HA 0.080 4.415 4.320 0.025 0.000 0.239 81 A C -0.033 177.600 177.584 0.082 0.000 1.080 81 A CA -0.144 51.910 52.037 0.029 0.000 0.779 81 A CB 0.285 19.332 19.000 0.078 0.000 1.026 81 A HN -0.051 nan 8.150 nan 0.000 0.499 82 D N -0.257 120.222 120.400 0.131 0.000 2.326 82 D HA 0.518 5.173 4.640 0.025 0.000 0.248 82 D C -0.528 175.891 176.300 0.199 0.000 1.001 82 D CA 0.053 54.157 54.000 0.173 0.000 0.961 82 D CB 1.265 42.225 40.800 0.268 0.000 1.183 82 D HN 0.386 nan 8.370 nan 0.000 0.502 83 T N 0.525 115.180 114.554 0.169 0.000 2.749 83 T HA 0.511 4.876 4.350 0.025 0.000 0.287 83 T C 0.061 174.863 174.700 0.170 0.000 0.970 83 T CA -0.565 61.642 62.100 0.179 0.000 0.980 83 T CB 0.651 69.596 68.868 0.129 0.000 0.924 83 T HN 0.267 nan 8.240 nan 0.000 0.456 84 V N 1.377 121.426 119.914 0.224 0.000 3.102 84 V HA 0.817 4.952 4.120 0.025 0.000 0.312 84 V C -0.390 175.837 176.094 0.221 0.000 1.135 84 V CA -1.015 61.383 62.300 0.163 0.000 1.022 84 V CB 1.715 33.664 31.823 0.211 0.000 1.056 84 V HN 0.505 nan 8.190 nan 0.000 0.436 85 V N 1.925 121.947 119.914 0.179 0.000 2.607 85 V HA 0.536 4.671 4.120 0.025 0.000 0.289 85 V C -0.009 176.182 176.094 0.162 0.000 1.053 85 V CA -0.155 62.250 62.300 0.176 0.000 0.996 85 V CB 1.444 33.334 31.823 0.113 0.000 0.995 85 V HN 0.757 nan 8.190 nan 0.000 0.476 86 V N 6.904 126.837 119.914 0.033 0.000 2.588 86 V HA 0.442 4.577 4.120 0.025 0.000 0.304 86 V C -2.288 173.708 176.094 -0.162 0.000 1.042 86 V CA -1.730 60.442 62.300 -0.214 0.000 0.877 86 V CB 2.404 33.738 31.823 -0.815 0.000 0.996 86 V HN 0.760 nan 8.190 nan 0.000 0.425 87 P HA 0.434 nan 4.420 nan 0.000 0.274 87 P C -0.754 176.476 177.300 -0.117 0.000 1.231 87 P CA -0.060 62.923 63.100 -0.195 0.000 0.790 87 P CB 1.233 32.829 31.700 -0.174 0.000 0.951 88 S N 0.362 115.998 115.700 -0.106 0.000 2.615 88 S HA 0.411 4.896 4.470 0.025 0.000 0.268 88 S C -1.294 173.230 174.600 -0.126 0.000 1.146 88 S CA -1.051 57.070 58.200 -0.131 0.000 0.818 88 S CB 0.484 63.548 63.200 -0.227 0.000 1.111 88 S HN 0.344 nan 8.310 nan 0.000 0.465 89 N N 0.949 119.511 118.700 -0.229 0.000 2.408 89 N HA 0.438 5.193 4.740 0.025 0.000 0.280 89 N C 0.402 175.734 175.510 -0.298 0.000 1.002 89 N CA -0.859 52.023 53.050 -0.281 0.000 0.907 89 N CB 0.733 39.021 38.487 -0.332 0.000 1.161 89 N HN 0.862 nan 8.380 nan 0.000 0.488 90 W N 2.332 123.488 121.300 -0.241 0.000 2.525 90 W HA -0.030 4.646 4.660 0.025 0.000 0.259 90 W C 0.873 177.362 176.519 -0.050 0.000 1.253 90 W CA 0.550 57.747 57.345 -0.248 0.000 1.262 90 W CB -0.307 28.983 29.460 -0.284 0.000 1.122 90 W HN 0.494 nan 8.180 nan 0.000 0.607 91 Q N 0.613 120.381 119.800 -0.054 0.000 2.224 91 Q HA -0.082 4.273 4.340 0.025 0.000 0.203 91 Q C 2.154 178.111 176.000 -0.070 0.000 0.970 91 Q CA 1.657 57.442 55.803 -0.030 0.000 0.865 91 Q CB -0.573 28.028 28.738 -0.228 0.000 0.922 91 Q HN 0.295 nan 8.270 nan 0.000 0.445 92 M N -0.783 118.731 119.600 -0.143 0.000 2.557 92 M HA -0.039 4.456 4.480 0.025 0.000 0.259 92 M C 0.725 177.093 176.300 0.115 0.000 1.086 92 M CA 1.298 56.540 55.300 -0.095 0.000 1.096 92 M CB -0.563 31.955 32.600 -0.136 0.000 1.424 92 M HN 0.395 nan 8.290 nan 0.000 0.488 93 H N -0.678 118.419 119.070 0.046 0.000 2.575 93 H HA 0.245 4.816 4.556 0.025 0.000 0.267 93 H C 1.319 176.535 175.328 -0.186 0.000 0.966 93 H CA 0.144 56.202 56.048 0.017 0.000 1.165 93 H CB 0.458 30.343 29.762 0.206 0.000 1.433 93 H HN 0.564 nan 8.280 nan 0.000 0.544 94 G N 0.572 109.378 108.800 0.010 0.000 2.141 94 G HA2 -0.358 3.617 3.960 0.025 0.000 0.242 94 G HA3 -0.358 3.617 3.960 0.025 0.000 0.242 94 G C 0.388 175.171 174.900 -0.195 0.000 0.982 94 G CA 0.314 45.354 45.100 -0.100 0.000 0.662 94 G HN 0.480 nan 8.290 nan 0.000 0.527 95 Y N 1.532 121.855 120.300 0.038 0.000 2.293 95 Y HA 0.225 4.790 4.550 0.025 0.000 0.291 95 Y C 1.688 177.353 175.900 -0.390 0.000 1.137 95 Y CA 1.655 59.661 58.100 -0.156 0.000 1.202 95 Y CB 0.217 38.673 38.460 -0.008 0.000 0.990 95 Y HN 0.655 nan 8.280 nan 0.000 0.537 96 D N -1.862 118.607 120.400 0.115 0.000 2.615 96 D HA 0.477 5.132 4.640 0.025 0.000 0.267 96 D C -1.218 175.162 176.300 0.133 0.000 1.236 96 D CA -0.879 53.176 54.000 0.092 0.000 0.839 96 D CB 0.805 41.771 40.800 0.276 0.000 1.380 96 D HN -0.049 nan 8.370 nan 0.000 0.433 97 A N 0.415 123.319 122.820 0.139 0.000 2.331 97 A HA 0.653 4.988 4.320 0.025 0.000 0.283 97 A C -2.255 175.362 177.584 0.054 0.000 1.142 97 A CA -1.085 51.021 52.037 0.115 0.000 0.812 97 A CB -0.053 19.077 19.000 0.218 0.000 1.074 97 A HN 0.540 nan 8.150 nan 0.000 0.497 98 P HA 0.410 nan 4.420 nan 0.000 0.274 98 P C -0.843 176.615 177.300 0.263 0.000 1.231 98 P CA 0.053 63.104 63.100 -0.082 0.000 0.790 98 P CB 0.767 32.195 31.700 -0.453 0.000 0.951 99 I N 2.112 122.915 120.570 0.389 0.000 2.433 99 I HA 0.252 4.437 4.170 0.025 0.000 0.292 99 I C -0.440 175.833 176.117 0.260 0.000 1.001 99 I CA -0.964 60.558 61.300 0.370 0.000 1.119 99 I CB 1.520 39.683 38.000 0.271 0.000 1.289 99 I HN 0.280 nan 8.210 nan 0.000 0.438 100 Y N 6.017 126.210 120.300 -0.179 0.000 2.593 100 Y HA 0.496 5.061 4.550 0.024 0.000 0.331 100 Y C -0.306 175.422 175.900 -0.286 0.000 0.986 100 Y CA -0.631 57.084 58.100 -0.642 0.000 1.262 100 Y CB 1.003 38.645 38.460 -1.364 0.000 1.098 100 Y HN 0.541 nan 8.280 nan 0.000 0.506 101 T N 5.157 119.224 114.554 -0.813 0.000 2.861 101 T HA 0.262 4.627 4.350 0.025 0.000 0.287 101 T C 0.299 174.526 174.700 -0.788 0.000 1.003 101 T CA -0.571 61.082 62.100 -0.746 0.000 0.977 101 T CB 1.038 69.699 68.868 -0.346 0.000 0.996 101 T HN 0.756 nan 8.240 nan 0.000 0.448 102 N N 3.015 121.284 118.700 -0.719 0.000 2.272 102 N HA 0.046 4.801 4.740 0.025 0.000 0.195 102 N C 1.528 176.825 175.510 -0.355 0.000 1.048 102 N CA 1.476 54.256 53.050 -0.450 0.000 0.912 102 N CB -0.590 37.660 38.487 -0.395 0.000 1.096 102 N HN 0.396 nan 8.380 nan 0.000 0.471 103 V N 0.322 120.010 119.914 -0.378 0.000 2.581 103 V HA 0.123 4.258 4.120 0.025 0.000 0.240 103 V C 0.337 176.209 176.094 -0.371 0.000 1.054 103 V CA 0.791 62.872 62.300 -0.366 0.000 1.076 103 V CB -0.589 31.018 31.823 -0.361 0.000 0.748 103 V HN 0.318 nan 8.190 nan 0.000 0.474 104 T N 1.190 115.565 114.554 -0.299 0.000 2.871 104 T HA 0.100 4.465 4.350 0.025 0.000 0.296 104 T C -0.316 174.262 174.700 -0.203 0.000 0.998 104 T CA 0.305 62.280 62.100 -0.209 0.000 1.162 104 T CB -0.264 68.506 68.868 -0.163 0.000 0.947 104 T HN 0.183 nan 8.240 nan 0.000 0.536 105 Y N 4.846 125.061 120.300 -0.141 0.000 2.683 105 Y HA 0.097 4.662 4.550 0.024 0.000 0.340 105 Y C -0.748 175.035 175.900 -0.194 0.000 1.245 105 Y CA -1.540 56.463 58.100 -0.162 0.000 1.485 105 Y CB 0.498 38.856 38.460 -0.169 0.000 1.328 105 Y HN 0.515 nan 8.280 nan 0.000 0.603 106 P HA 0.015 nan 4.420 nan 0.000 0.241 106 P C -0.372 176.712 177.300 -0.359 0.000 1.191 106 P CA 1.026 64.032 63.100 -0.155 0.000 0.771 106 P CB 0.089 31.761 31.700 -0.047 0.000 0.929 107 I N -5.057 115.272 120.570 -0.402 0.000 3.002 107 I HA 0.498 4.683 4.170 0.025 0.000 0.310 107 I C -0.504 175.483 176.117 -0.218 0.000 1.087 107 I CA -1.247 59.783 61.300 -0.449 0.000 1.017 107 I CB 1.627 39.205 38.000 -0.703 0.000 1.226 107 I HN -0.457 nan 8.210 nan 0.000 0.443 108 T N 2.634 117.102 114.554 -0.142 0.000 2.934 108 T HA 0.142 4.507 4.350 0.025 0.000 0.306 108 T C 0.189 174.876 174.700 -0.021 0.000 1.042 108 T CA -0.208 61.861 62.100 -0.053 0.000 1.145 108 T CB 0.605 69.462 68.868 -0.017 0.000 0.982 108 T HN 0.381 nan 8.240 nan 0.000 0.544 109 V N 4.775 124.692 119.914 0.004 0.000 2.370 109 V HA 0.256 4.391 4.120 0.025 0.000 0.257 109 V C 0.673 176.808 176.094 0.069 0.000 1.064 109 V CA -0.271 62.051 62.300 0.038 0.000 0.975 109 V CB -0.169 31.652 31.823 -0.003 0.000 1.067 109 V HN 0.868 nan 8.190 nan 0.000 0.485 110 N N 6.018 124.814 118.700 0.160 0.000 2.666 110 N HA 0.247 5.002 4.740 0.025 0.000 0.253 110 N C -2.916 172.686 175.510 0.153 0.000 1.621 110 N CA -1.266 51.872 53.050 0.147 0.000 0.785 110 N CB 1.465 40.075 38.487 0.204 0.000 1.332 110 N HN 0.273 nan 8.380 nan 0.000 0.514 111 P HA 0.186 nan 4.420 nan 0.000 0.266 111 P C -2.220 174.885 177.300 -0.324 0.000 1.195 111 P CA -0.679 62.023 63.100 -0.663 0.000 0.768 111 P CB 0.576 31.710 31.700 -0.944 0.000 0.838 112 P HA 0.200 nan 4.420 nan 0.000 0.259 112 P C -0.375 176.764 177.300 -0.268 0.000 1.530 112 P CA -0.278 62.604 63.100 -0.363 0.000 1.022 112 P CB -0.021 31.448 31.700 -0.385 0.000 1.514 113 F N 1.091 121.132 119.950 0.152 0.000 2.406 113 F HA 0.281 4.823 4.527 0.025 0.000 0.327 113 F C 1.388 177.358 175.800 0.283 0.000 1.153 113 F CA -0.559 57.550 58.000 0.182 0.000 1.218 113 F CB 0.725 39.783 39.000 0.097 0.000 1.215 113 F HN -0.196 nan 8.300 nan 0.000 0.570 114 V N -0.959 119.229 119.914 0.456 0.000 3.074 114 V HA 0.692 4.827 4.120 0.025 0.000 0.314 114 V C -2.766 173.489 176.094 0.269 0.000 1.117 114 V CA -2.884 59.611 62.300 0.325 0.000 1.014 114 V CB 1.382 33.453 31.823 0.413 0.000 1.057 114 V HN 0.473 nan 8.190 nan 0.000 0.438 115 P HA 0.187 nan 4.420 nan 0.000 0.268 115 P C 1.031 178.467 177.300 0.226 0.000 1.208 115 P CA 0.565 63.748 63.100 0.139 0.000 0.777 115 P CB 0.534 32.280 31.700 0.077 0.000 0.875 116 T N -1.904 112.758 114.554 0.181 0.000 2.904 116 T HA -0.058 4.307 4.350 0.025 0.000 0.267 116 T C 0.612 175.421 174.700 0.181 0.000 1.059 116 T CA 0.693 62.909 62.100 0.193 0.000 1.137 116 T CB -0.472 68.476 68.868 0.134 0.000 0.879 116 T HN 0.367 nan 8.240 nan 0.000 0.467 117 E N 2.598 122.901 120.200 0.170 0.000 1.932 117 E HA 0.201 4.566 4.350 0.025 0.000 0.275 117 E C -0.795 175.957 176.600 0.253 0.000 1.159 117 E CA -0.311 56.195 56.400 0.177 0.000 0.905 117 E CB 0.096 29.903 29.700 0.177 0.000 1.059 117 E HN 0.248 nan 8.360 nan 0.000 0.400 118 N N 4.791 123.618 118.700 0.211 0.000 2.623 118 N HA 0.240 4.995 4.740 0.025 0.000 0.256 118 N C -2.848 172.696 175.510 0.056 0.000 1.045 118 N CA -2.437 50.773 53.050 0.267 0.000 0.863 118 N CB 1.141 39.781 38.487 0.256 0.000 1.182 118 N HN 0.055 nan 8.380 nan 0.000 0.523 119 P HA 0.008 nan 4.420 nan 0.000 0.260 119 P C -0.825 176.369 177.300 -0.177 0.000 1.172 119 P CA 0.533 63.563 63.100 -0.117 0.000 0.760 119 P CB 0.370 32.321 31.700 0.418 0.000 0.773 120 T N 2.872 117.048 114.554 -0.629 0.000 2.812 120 T HA 0.564 4.929 4.350 0.025 0.000 0.282 120 T C 0.283 174.451 174.700 -0.887 0.000 0.990 120 T CA -0.565 61.233 62.100 -0.503 0.000 0.960 120 T CB 1.555 70.181 68.868 -0.403 0.000 0.948 120 T HN 0.333 nan 8.240 nan 0.000 0.438 121 G N 1.001 109.318 108.800 -0.805 0.000 2.335 121 G HA2 0.478 4.453 3.960 0.025 0.000 0.314 121 G HA3 0.478 4.453 3.960 0.025 0.000 0.314 121 G C -0.305 174.324 174.900 -0.452 0.000 1.129 121 G CA -0.370 44.139 45.100 -0.986 0.000 0.912 121 G HN 0.866 nan 8.290 nan 0.000 0.443 122 C N 3.199 122.025 119.300 -0.790 0.000 2.223 122 C HA 0.475 4.949 4.460 0.025 0.000 0.324 122 C C -0.522 174.441 174.990 -0.044 0.000 1.196 122 C CA -0.877 57.852 59.018 -0.482 0.000 1.628 122 C CB -1.751 25.304 27.740 -1.141 0.000 2.229 122 C HN 0.624 nan 8.230 nan 0.000 0.486 123 Y N 1.920 122.518 120.300 0.495 0.000 2.420 123 Y HA 0.648 5.214 4.550 0.025 0.000 0.334 123 Y C 0.780 177.143 175.900 0.773 0.000 1.094 123 Y CA -0.217 58.284 58.100 0.668 0.000 1.126 123 Y CB 1.494 40.326 38.460 0.620 0.000 1.217 123 Y HN 0.665 nan 8.280 nan 0.000 0.462 124 S N 2.080 118.280 115.700 0.832 0.000 2.550 124 S HA 0.802 5.287 4.470 0.025 0.000 0.270 124 S C -1.998 172.673 174.600 0.119 0.000 1.145 124 S CA -0.796 57.649 58.200 0.408 0.000 0.852 124 S CB 2.139 65.457 63.200 0.197 0.000 1.119 124 S HN 0.589 nan 8.310 nan 0.000 0.465 125 L N 0.973 122.072 121.223 -0.206 0.000 2.493 125 L HA 0.715 5.070 4.340 0.025 0.000 0.265 125 L C -1.085 175.719 176.870 -0.110 0.000 0.954 125 L CA 0.128 54.678 54.840 -0.484 0.000 0.844 125 L CB 2.227 43.475 42.059 -1.351 0.000 1.302 125 L HN 0.921 nan 8.230 nan 0.000 0.405 126 T N 5.910 120.438 114.554 -0.043 0.000 2.758 126 T HA 0.750 5.115 4.350 0.025 0.000 0.285 126 T C -0.781 173.972 174.700 0.089 0.000 0.981 126 T CA 0.008 62.123 62.100 0.025 0.000 0.965 126 T CB 0.187 69.035 68.868 -0.035 0.000 0.927 126 T HN 0.468 nan 8.240 nan 0.000 0.448 127 F N 1.068 120.920 119.950 -0.163 0.000 2.711 127 F HA 0.742 5.284 4.527 0.025 0.000 0.313 127 F C -0.847 174.876 175.800 -0.129 0.000 1.141 127 F CA -1.564 56.341 58.000 -0.157 0.000 0.941 127 F CB 1.341 40.222 39.000 -0.198 0.000 1.349 127 F HN 0.360 nan 8.300 nan 0.000 0.464 128 N N 0.146 118.741 118.700 -0.176 0.000 2.492 128 N HA 0.671 5.426 4.740 0.025 0.000 0.289 128 N C -1.946 173.433 175.510 -0.217 0.000 1.133 128 N CA -0.455 52.446 53.050 -0.248 0.000 0.961 128 N CB 1.995 40.406 38.487 -0.128 0.000 1.186 128 N HN 0.653 nan 8.380 nan 0.000 0.493 129 V N 2.021 121.784 119.914 -0.251 0.000 2.577 129 V HA 0.272 4.407 4.120 0.025 0.000 0.303 129 V C -0.922 175.070 176.094 -0.169 0.000 1.042 129 V CA -1.000 61.171 62.300 -0.216 0.000 0.872 129 V CB 1.692 33.437 31.823 -0.130 0.000 0.998 129 V HN 0.716 nan 8.190 nan 0.000 0.423 130 D N 2.968 123.232 120.400 -0.228 0.000 2.425 130 D HA 0.061 4.715 4.640 0.025 0.000 0.247 130 D C 1.054 177.388 176.300 0.057 0.000 1.147 130 D CA 0.050 54.003 54.000 -0.078 0.000 0.879 130 D CB 1.758 42.533 40.800 -0.041 0.000 1.179 130 D HN 0.744 nan 8.370 nan 0.000 0.456 131 E N 1.555 121.787 120.200 0.054 0.000 2.209 131 E HA -0.197 4.168 4.350 0.025 0.000 0.196 131 E C 1.529 178.202 176.600 0.123 0.000 0.993 131 E CA 1.381 57.829 56.400 0.080 0.000 0.819 131 E CB -0.062 29.665 29.700 0.044 0.000 0.745 131 E HN 0.391 nan 8.360 nan 0.000 0.477 132 S N -1.072 114.711 115.700 0.138 0.000 2.442 132 S HA -0.155 4.330 4.470 0.025 0.000 0.236 132 S C 1.619 176.284 174.600 0.108 0.000 1.007 132 S CA 0.876 59.145 58.200 0.115 0.000 0.965 132 S CB -0.775 62.492 63.200 0.111 0.000 0.773 132 S HN 0.418 nan 8.310 nan 0.000 0.504 133 W N 1.402 122.645 121.300 -0.095 0.000 2.584 133 W HA 0.415 5.090 4.660 0.025 0.000 0.264 133 W C 1.845 178.465 176.519 0.169 0.000 1.264 133 W CA -0.122 57.170 57.345 -0.089 0.000 1.306 133 W CB -0.280 29.202 29.460 0.036 0.000 1.110 133 W HN 0.305 nan 8.180 nan 0.000 0.606 134 L N -0.379 121.028 121.223 0.307 0.000 2.470 134 L HA 0.012 4.367 4.340 0.025 0.000 0.219 134 L C 2.485 179.447 176.870 0.154 0.000 1.071 134 L CA 0.490 55.464 54.840 0.225 0.000 0.850 134 L CB -0.742 41.416 42.059 0.165 0.000 1.040 134 L HN -0.013 nan 8.230 nan 0.000 0.475 135 Q N 1.893 121.768 119.800 0.125 0.000 2.364 135 Q HA -0.069 4.286 4.340 0.025 0.000 0.207 135 Q C 0.114 176.165 176.000 0.084 0.000 0.970 135 Q CA 0.721 56.575 55.803 0.084 0.000 0.888 135 Q CB -0.018 28.757 28.738 0.060 0.000 0.951 135 Q HN 0.653 nan 8.270 nan 0.000 0.469 136 E N -1.426 118.846 120.200 0.120 0.000 2.423 136 E HA 0.554 4.918 4.350 0.025 0.000 0.280 136 E C -0.233 176.482 176.600 0.192 0.000 1.030 136 E CA -0.856 55.611 56.400 0.112 0.000 0.812 136 E CB 1.181 30.928 29.700 0.079 0.000 1.313 136 E HN 0.148 nan 8.360 nan 0.000 0.456 137 G N 0.651 109.501 108.800 0.083 0.000 2.698 137 G HA2 -0.271 3.704 3.960 0.025 0.000 0.233 137 G HA3 -0.271 3.704 3.960 0.025 0.000 0.233 137 G C -0.793 174.010 174.900 -0.162 0.000 1.352 137 G CA 0.118 45.171 45.100 -0.078 0.000 0.879 137 G HN 0.744 nan 8.290 nan 0.000 0.567 138 Q N -0.506 119.035 119.800 -0.433 0.000 2.330 138 Q HA 0.625 4.980 4.340 0.025 0.000 0.269 138 Q C -0.915 174.918 176.000 -0.278 0.000 1.022 138 Q CA -0.475 55.183 55.803 -0.241 0.000 0.796 138 Q CB 1.461 30.096 28.738 -0.172 0.000 1.271 138 Q HN 0.610 nan 8.270 nan 0.000 0.450 139 T N 4.967 119.537 114.554 0.027 0.000 2.772 139 T HA 0.470 4.835 4.350 0.025 0.000 0.288 139 T C -0.591 174.228 174.700 0.199 0.000 0.994 139 T CA -0.611 61.617 62.100 0.213 0.000 0.951 139 T CB 0.512 69.656 68.868 0.459 0.000 0.933 139 T HN 0.631 nan 8.240 nan 0.000 0.447 140 R N 2.885 123.492 120.500 0.178 0.000 2.832 140 R HA 0.792 5.147 4.340 0.025 0.000 0.271 140 R C -1.072 175.330 176.300 0.170 0.000 0.996 140 R CA -1.000 55.201 56.100 0.168 0.000 0.977 140 R CB 1.504 31.874 30.300 0.116 0.000 1.168 140 R HN 0.560 nan 8.270 nan 0.000 0.482 141 I N 2.144 122.813 120.570 0.166 0.000 2.493 141 I HA 0.454 4.639 4.170 0.025 0.000 0.298 141 I C -1.103 175.051 176.117 0.062 0.000 0.998 141 I CA -1.309 60.029 61.300 0.063 0.000 1.137 141 I CB 1.420 39.458 38.000 0.062 0.000 1.310 141 I HN 0.619 nan 8.210 nan 0.000 0.445 142 I N 7.207 127.710 120.570 -0.113 0.000 2.418 142 I HA 0.283 4.468 4.170 0.025 0.000 0.287 142 I C -1.286 174.664 176.117 -0.278 0.000 1.008 142 I CA -0.406 60.847 61.300 -0.079 0.000 1.104 142 I CB 1.531 39.500 38.000 -0.053 0.000 1.264 142 I HN 0.402 nan 8.210 nan 0.000 0.438 143 F N 4.624 124.562 119.950 -0.019 0.000 2.313 143 F HA 0.256 4.797 4.527 0.024 0.000 0.369 143 F C 1.311 176.992 175.800 -0.198 0.000 1.109 143 F CA -0.439 57.471 58.000 -0.151 0.000 1.132 143 F CB 0.626 39.485 39.000 -0.236 0.000 1.291 143 F HN 0.453 nan 8.300 nan 0.000 0.496 144 D N 2.305 122.606 120.400 -0.165 0.000 2.264 144 D HA 0.036 4.691 4.640 0.025 0.000 0.208 144 D C 1.030 177.156 176.300 -0.292 0.000 0.966 144 D CA 0.855 54.720 54.000 -0.225 0.000 0.864 144 D CB 0.393 40.998 40.800 -0.326 0.000 0.933 144 D HN 0.611 nan 8.370 nan 0.000 0.499 145 G N -0.340 108.227 108.800 -0.388 0.000 2.552 145 G HA2 0.440 4.415 3.960 0.025 0.000 0.288 145 G HA3 0.440 4.415 3.960 0.025 0.000 0.288 145 G C -1.406 173.235 174.900 -0.433 0.000 1.358 145 G CA -0.402 44.346 45.100 -0.587 0.000 1.305 145 G HN -0.060 nan 8.290 nan 0.000 0.602 146 V N 2.589 122.451 119.914 -0.087 0.000 2.525 146 V HA 0.511 4.646 4.120 0.025 0.000 0.299 146 V C -0.792 175.390 176.094 0.146 0.000 1.034 146 V CA -1.184 61.078 62.300 -0.064 0.000 0.863 146 V CB 1.880 33.412 31.823 -0.485 0.000 0.999 146 V HN 0.685 nan 8.190 nan 0.000 0.423 147 N N 2.631 121.408 118.700 0.130 0.000 2.476 147 N HA 0.327 5.082 4.740 0.025 0.000 0.257 147 N C 0.581 176.024 175.510 -0.112 0.000 0.970 147 N CA 0.165 53.199 53.050 -0.028 0.000 0.938 147 N CB 2.134 40.447 38.487 -0.291 0.000 1.144 147 N HN 0.689 nan 8.380 nan 0.000 0.500 148 S N 1.875 117.551 115.700 -0.039 0.000 2.559 148 S HA 0.584 5.069 4.470 0.025 0.000 0.226 148 S C 0.304 174.970 174.600 0.109 0.000 1.030 148 S CA 0.053 58.277 58.200 0.040 0.000 0.956 148 S CB 0.368 63.600 63.200 0.054 0.000 0.900 148 S HN 0.637 nan 8.310 nan 0.000 0.510 149 A N 0.872 123.770 122.820 0.131 0.000 2.612 149 A HA 0.782 5.117 4.320 0.025 0.000 0.293 149 A C -1.341 176.339 177.584 0.159 0.000 1.075 149 A CA -0.973 51.109 52.037 0.075 0.000 0.680 149 A CB 0.866 19.929 19.000 0.105 0.000 1.279 149 A HN 1.106 nan 8.150 nan 0.000 0.411 150 F N -0.648 119.114 119.950 -0.314 0.000 2.719 150 F HA 0.728 5.269 4.527 0.025 0.000 0.309 150 F C -1.128 174.542 175.800 -0.216 0.000 1.138 150 F CA -0.807 57.098 58.000 -0.158 0.000 0.943 150 F CB 1.137 40.039 39.000 -0.162 0.000 1.304 150 F HN 0.627 nan 8.300 nan 0.000 0.445 151 H N 1.979 121.163 119.070 0.191 0.000 2.472 151 H HA 0.696 5.267 4.556 0.025 0.000 0.338 151 H C -1.426 173.843 175.328 -0.098 0.000 1.133 151 H CA -0.712 55.328 56.048 -0.014 0.000 1.216 151 H CB 2.493 32.238 29.762 -0.028 0.000 1.497 151 H HN 0.741 nan 8.280 nan 0.000 0.500 152 L N 3.233 124.200 121.223 -0.427 0.000 2.385 152 L HA 0.384 4.739 4.340 0.025 0.000 0.273 152 L C -1.584 174.945 176.870 -0.570 0.000 0.990 152 L CA -0.506 54.145 54.840 -0.315 0.000 0.821 152 L CB 1.377 43.109 42.059 -0.544 0.000 1.279 152 L HN 0.525 nan 8.230 nan 0.000 0.412 153 W N 4.197 125.459 121.300 -0.064 0.000 2.781 153 W HA 0.615 5.291 4.660 0.025 0.000 0.345 153 W C -1.092 175.362 176.519 -0.107 0.000 1.085 153 W CA -0.794 56.503 57.345 -0.081 0.000 1.198 153 W CB 2.082 31.534 29.460 -0.012 0.000 1.423 153 W HN 0.573 nan 8.180 nan 0.000 0.532 154 C N 4.503 123.868 119.300 0.109 0.000 2.432 154 C HA 0.281 4.756 4.460 0.025 0.000 0.334 154 C C 0.132 175.246 174.990 0.205 0.000 1.155 154 C CA -0.384 58.703 59.018 0.115 0.000 1.335 154 C CB -0.779 26.957 27.740 -0.007 0.000 1.964 154 C HN 0.803 nan 8.230 nan 0.000 0.444 155 N N 3.647 122.427 118.700 0.134 0.000 2.740 155 N HA -0.185 4.569 4.740 0.025 0.000 0.248 155 N C 0.964 176.542 175.510 0.114 0.000 1.062 155 N CA 1.970 55.077 53.050 0.095 0.000 0.704 155 N CB -1.344 37.203 38.487 0.100 0.000 0.968 155 N HN 1.856 nan 8.380 nan 0.000 0.547 156 G N -1.107 107.756 108.800 0.104 0.000 2.205 156 G HA2 -0.371 3.604 3.960 0.025 0.000 0.261 156 G HA3 -0.371 3.604 3.960 0.025 0.000 0.261 156 G C 0.141 175.213 174.900 0.285 0.000 0.980 156 G CA 0.697 45.857 45.100 0.100 0.000 0.632 156 G HN 0.557 nan 8.290 nan 0.000 0.533 157 R N -0.968 119.763 120.500 0.384 0.000 2.407 157 R HA 0.437 4.792 4.340 0.025 0.000 0.303 157 R C -0.259 176.348 176.300 0.512 0.000 0.981 157 R CA -0.879 55.518 56.100 0.494 0.000 0.905 157 R CB 1.087 31.699 30.300 0.520 0.000 1.099 157 R HN 0.227 nan 8.270 nan 0.000 0.459 158 W N 3.767 125.221 121.300 0.257 0.000 2.253 158 W HA 0.085 4.760 4.660 0.025 0.000 0.322 158 W C 0.067 176.462 176.519 -0.208 0.000 1.342 158 W CA -0.008 57.196 57.345 -0.235 0.000 1.218 158 W CB 0.686 29.984 29.460 -0.270 0.000 1.205 158 W HN 0.338 nan 8.180 nan 0.000 0.551 159 V N 5.493 124.647 119.914 -1.266 0.000 2.627 159 V HA 0.531 4.665 4.120 0.025 0.000 0.239 159 V C 1.110 176.167 176.094 -1.729 0.000 1.077 159 V CA 1.068 62.578 62.300 -1.317 0.000 1.103 159 V CB -0.569 30.543 31.823 -1.186 0.000 0.802 159 V HN 0.837 nan 8.190 nan 0.000 0.482 160 G N -1.771 105.763 108.800 -2.110 0.000 2.340 160 G HA2 0.456 4.431 3.960 0.025 0.000 0.299 160 G HA3 0.456 4.431 3.960 0.025 0.000 0.299 160 G C -2.422 171.997 174.900 -0.802 0.000 1.291 160 G CA -0.233 44.029 45.100 -1.396 0.000 0.841 160 G HN 0.055 nan 8.290 nan 0.000 0.500 161 Y N -0.468 119.558 120.300 -0.458 0.000 2.571 161 Y HA 0.710 5.275 4.550 0.025 0.000 0.341 161 Y C -0.105 175.552 175.900 -0.405 0.000 1.076 161 Y CA -0.041 57.742 58.100 -0.527 0.000 1.029 161 Y CB 2.211 40.544 38.460 -0.212 0.000 1.308 161 Y HN 1.278 nan 8.280 nan 0.000 0.461 162 G N 3.728 111.618 108.800 -1.516 0.000 2.718 162 G HA2 0.589 4.564 3.960 0.025 0.000 0.295 162 G HA3 0.589 4.564 3.960 0.025 0.000 0.295 162 G C -2.134 172.318 174.900 -0.747 0.000 1.421 162 G CA -0.911 43.688 45.100 -0.835 0.000 0.902 162 G HN 0.637 nan 8.290 nan 0.000 0.501 163 Q N -0.253 119.360 119.800 -0.312 0.000 2.552 163 Q HA 0.627 4.982 4.340 0.025 0.000 0.289 163 Q C -1.394 174.613 176.000 0.012 0.000 1.097 163 Q CA -0.870 54.875 55.803 -0.097 0.000 0.812 163 Q CB 2.693 31.432 28.738 0.001 0.000 1.460 163 Q HN 0.630 nan 8.270 nan 0.000 0.452 164 D N -0.260 120.182 120.400 0.070 0.000 4.013 164 D HA -0.094 4.561 4.640 0.025 0.000 0.225 164 D C -0.665 175.702 176.300 0.111 0.000 1.196 164 D CA 0.358 54.412 54.000 0.091 0.000 0.889 164 D CB -0.702 40.135 40.800 0.062 0.000 0.572 164 D HN 0.527 nan 8.370 nan 0.000 0.258 165 S N 3.282 119.061 115.700 0.133 0.000 2.603 165 S HA -0.020 4.465 4.470 0.025 0.000 0.229 165 S C 1.528 176.261 174.600 0.221 0.000 0.972 165 S CA 0.351 58.661 58.200 0.182 0.000 0.935 165 S CB 0.267 63.552 63.200 0.142 0.000 0.769 165 S HN 0.455 nan 8.310 nan 0.000 0.536 166 R N 0.221 120.810 120.500 0.149 0.000 2.508 166 R HA 0.425 4.779 4.340 0.025 0.000 0.300 166 R C -0.359 175.995 176.300 0.090 0.000 0.970 166 R CA 0.068 56.252 56.100 0.140 0.000 1.102 166 R CB 0.253 30.659 30.300 0.177 0.000 1.246 166 R HN 0.324 nan 8.270 nan 0.000 0.539 167 L N 1.809 123.056 121.223 0.041 0.000 2.371 167 L HA 0.499 4.854 4.340 0.025 0.000 0.262 167 L C -2.409 174.437 176.870 -0.040 0.000 1.006 167 L CA -2.281 52.555 54.840 -0.008 0.000 0.818 167 L CB 3.010 45.059 42.059 -0.017 0.000 1.354 167 L HN -0.215 nan 8.230 nan 0.000 0.415 168 P HA 0.116 nan 4.420 nan 0.000 0.271 168 P C -1.017 176.251 177.300 -0.053 0.000 1.216 168 P CA -0.220 62.833 63.100 -0.077 0.000 0.776 168 P CB 1.129 32.747 31.700 -0.136 0.000 0.881 169 S N 1.699 117.428 115.700 0.049 0.000 2.473 169 S HA 0.369 4.854 4.470 0.025 0.000 0.307 169 S C -0.410 174.156 174.600 -0.055 0.000 1.094 169 S CA -0.620 57.568 58.200 -0.020 0.000 1.070 169 S CB 1.173 64.508 63.200 0.225 0.000 1.019 169 S HN 0.386 nan 8.310 nan 0.000 0.480 170 E N 1.517 121.470 120.200 -0.413 0.000 2.256 170 E HA 0.624 4.989 4.350 0.025 0.000 0.267 170 E C -1.525 174.676 176.600 -0.665 0.000 0.892 170 E CA -0.627 55.614 56.400 -0.265 0.000 0.775 170 E CB 1.836 31.478 29.700 -0.097 0.000 1.207 170 E HN 0.432 nan 8.360 nan 0.000 0.420 171 F N 0.500 120.506 119.950 0.092 0.000 2.581 171 F HA 0.178 4.720 4.527 0.025 0.000 0.311 171 F C -0.232 175.597 175.800 0.049 0.000 1.113 171 F CA -1.083 56.936 58.000 0.033 0.000 0.935 171 F CB 1.660 40.649 39.000 -0.018 0.000 1.232 171 F HN 0.271 nan 8.300 nan 0.000 0.445 172 D N 3.067 123.599 120.400 0.221 0.000 2.339 172 D HA 0.224 4.879 4.640 0.025 0.000 0.256 172 D C 0.337 176.786 176.300 0.249 0.000 1.214 172 D CA 0.330 54.446 54.000 0.193 0.000 0.877 172 D CB 1.036 41.928 40.800 0.154 0.000 1.111 172 D HN 0.590 nan 8.370 nan 0.000 0.478 173 L N 2.785 124.161 121.223 0.255 0.000 2.640 173 L HA 0.028 4.383 4.340 0.025 0.000 0.230 173 L C 2.155 179.263 176.870 0.397 0.000 1.123 173 L CA -0.188 54.852 54.840 0.333 0.000 0.900 173 L CB 0.054 42.264 42.059 0.253 0.000 1.146 173 L HN 0.282 nan 8.230 nan 0.000 0.484 174 S N 1.422 117.292 115.700 0.283 0.000 2.381 174 S HA -0.298 4.187 4.470 0.025 0.000 0.230 174 S C 2.049 176.751 174.600 0.169 0.000 1.052 174 S CA 1.967 60.291 58.200 0.207 0.000 1.068 174 S CB -0.169 63.111 63.200 0.133 0.000 0.918 174 S HN 0.573 nan 8.310 nan 0.000 0.448 175 A N -0.610 122.286 122.820 0.128 0.000 2.208 175 A HA 0.283 4.617 4.320 0.025 0.000 0.209 175 A C 1.368 178.834 177.584 -0.197 0.000 1.161 175 A CA 0.446 52.440 52.037 -0.071 0.000 0.782 175 A CB -0.427 18.441 19.000 -0.221 0.000 0.816 175 A HN 0.486 nan 8.150 nan 0.000 0.477 176 F N -0.677 119.315 119.950 0.071 0.000 2.717 176 F HA 0.365 4.907 4.527 0.025 0.000 0.295 176 F C 0.695 176.533 175.800 0.062 0.000 1.117 176 F CA -0.077 57.964 58.000 0.068 0.000 1.361 176 F CB 0.074 39.121 39.000 0.078 0.000 1.112 176 F HN -0.023 nan 8.300 nan 0.000 0.594 177 L N 0.911 122.284 121.223 0.250 0.000 2.416 177 L HA 0.543 4.897 4.340 0.025 0.000 0.262 177 L C 0.091 177.004 176.870 0.073 0.000 1.093 177 L CA -0.840 54.090 54.840 0.150 0.000 0.801 177 L CB 1.271 43.430 42.059 0.168 0.000 1.191 177 L HN 0.005 nan 8.230 nan 0.000 0.459 178 R N 0.893 121.400 120.500 0.013 0.000 2.771 178 R HA 0.793 5.148 4.340 0.025 0.000 0.274 178 R C -1.062 175.217 176.300 -0.035 0.000 0.987 178 R CA -0.891 55.206 56.100 -0.004 0.000 0.908 178 R CB 1.547 31.834 30.300 -0.021 0.000 1.213 178 R HN 0.557 nan 8.270 nan 0.000 0.468 179 A N 1.445 124.255 122.820 -0.017 0.000 2.531 179 A HA 0.487 4.822 4.320 0.025 0.000 0.236 179 A C 1.069 178.610 177.584 -0.072 0.000 1.062 179 A CA 1.127 53.144 52.037 -0.033 0.000 0.760 179 A CB -0.683 18.311 19.000 -0.011 0.000 0.995 179 A HN 1.409 nan 8.150 nan 0.000 0.501 180 G N 1.157 109.896 108.800 -0.102 0.000 2.475 180 G HA2 -0.090 3.885 3.960 0.025 0.000 0.223 180 G HA3 -0.090 3.885 3.960 0.025 0.000 0.223 180 G C -0.404 174.374 174.900 -0.204 0.000 1.201 180 G CA -0.077 44.948 45.100 -0.124 0.000 0.962 180 G HN 0.911 nan 8.290 nan 0.000 0.586 181 E N 2.104 122.190 120.200 -0.191 0.000 2.316 181 E HA 0.398 4.763 4.350 0.025 0.000 0.275 181 E C 0.276 176.679 176.600 -0.328 0.000 1.029 181 E CA 0.018 56.265 56.400 -0.256 0.000 0.871 181 E CB 0.587 30.186 29.700 -0.169 0.000 1.022 181 E HN 0.477 nan 8.360 nan 0.000 0.418 182 N N 2.077 120.441 118.700 -0.561 0.000 2.357 182 N HA 0.390 5.145 4.740 0.025 0.000 0.284 182 N C -0.737 174.526 175.510 -0.411 0.000 1.236 182 N CA -0.678 52.048 53.050 -0.539 0.000 0.774 182 N CB 2.614 40.617 38.487 -0.807 0.000 1.534 182 N HN 0.185 nan 8.380 nan 0.000 0.478 183 R N 1.554 121.979 120.500 -0.124 0.000 2.476 183 R HA 0.480 4.835 4.340 0.025 0.000 0.305 183 R C -1.150 175.226 176.300 0.128 0.000 0.965 183 R CA -0.453 55.658 56.100 0.020 0.000 0.867 183 R CB 0.861 31.130 30.300 -0.051 0.000 1.176 183 R HN 0.481 nan 8.270 nan 0.000 0.447 184 L N 3.036 124.382 121.223 0.206 0.000 2.343 184 L HA 0.739 5.094 4.340 0.025 0.000 0.275 184 L C -0.171 176.756 176.870 0.096 0.000 1.056 184 L CA -0.915 54.030 54.840 0.175 0.000 0.804 184 L CB 1.875 44.032 42.059 0.163 0.000 1.203 184 L HN 0.741 nan 8.230 nan 0.000 0.440 185 A N 2.790 125.687 122.820 0.127 0.000 2.353 185 A HA 0.740 5.075 4.320 0.025 0.000 0.299 185 A C -1.062 176.807 177.584 0.475 0.000 1.089 185 A CA -0.445 51.585 52.037 -0.012 0.000 0.736 185 A CB 1.552 20.033 19.000 -0.865 0.000 1.195 185 A HN 0.370 nan 8.150 nan 0.000 0.447 186 V N 3.539 123.895 119.914 0.737 0.000 2.407 186 V HA 0.471 4.606 4.120 0.025 0.000 0.291 186 V C -0.104 176.510 176.094 0.866 0.000 1.018 186 V CA -0.303 62.419 62.300 0.703 0.000 0.842 186 V CB 1.539 33.583 31.823 0.368 0.000 0.996 186 V HN 0.967 nan 8.190 nan 0.000 0.426 187 M N 5.962 126.098 119.600 0.893 0.000 2.088 187 M HA 0.574 5.069 4.480 0.025 0.000 0.346 187 M C -1.394 175.174 176.300 0.447 0.000 1.111 187 M CA -0.415 55.235 55.300 0.584 0.000 1.017 187 M CB 1.247 34.216 32.600 0.616 0.000 1.568 187 M HN 0.472 nan 8.290 nan 0.000 0.445 188 V N 6.907 127.041 119.914 0.368 0.000 2.370 188 V HA 0.369 4.504 4.120 0.025 0.000 0.279 188 V C -0.096 176.169 176.094 0.284 0.000 1.029 188 V CA -0.652 61.873 62.300 0.375 0.000 0.870 188 V CB 1.237 33.392 31.823 0.553 0.000 0.984 188 V HN 0.807 nan 8.190 nan 0.000 0.451 189 L N 4.956 126.278 121.223 0.164 0.000 2.292 189 L HA 0.498 4.853 4.340 0.025 0.000 0.284 189 L C 1.574 178.471 176.870 0.045 0.000 1.065 189 L CA -0.338 54.522 54.840 0.033 0.000 0.806 189 L CB 1.175 43.159 42.059 -0.125 0.000 1.175 189 L HN 0.639 nan 8.230 nan 0.000 0.431 190 R N 2.871 123.354 120.500 -0.028 0.000 2.075 190 R HA -0.060 4.295 4.340 0.025 0.000 0.232 190 R C -0.391 175.585 176.300 -0.540 0.000 1.126 190 R CA 1.323 57.159 56.100 -0.439 0.000 0.963 190 R CB 0.217 30.068 30.300 -0.747 0.000 0.858 190 R HN 0.563 nan 8.270 nan 0.000 0.435 191 W N -0.030 121.336 121.300 0.109 0.000 2.689 191 W HA 0.447 5.121 4.660 0.024 0.000 0.340 191 W C -0.431 176.204 176.519 0.193 0.000 1.060 191 W CA -0.760 56.656 57.345 0.119 0.000 1.218 191 W CB 1.799 31.330 29.460 0.118 0.000 1.410 191 W HN 0.006 nan 8.180 nan 0.000 0.528 192 S N -1.183 114.807 115.700 0.482 0.000 2.643 192 S HA 0.194 4.679 4.470 0.025 0.000 0.270 192 S C 0.050 174.912 174.600 0.436 0.000 1.166 192 S CA -0.455 58.042 58.200 0.496 0.000 0.815 192 S CB 1.158 64.622 63.200 0.439 0.000 1.139 192 S HN 0.648 nan 8.310 nan 0.000 0.472 193 D N 0.449 121.107 120.400 0.430 0.000 2.263 193 D HA 0.052 4.707 4.640 0.025 0.000 0.208 193 D C 1.789 178.406 176.300 0.529 0.000 0.971 193 D CA 1.225 55.531 54.000 0.510 0.000 0.867 193 D CB -0.674 40.289 40.800 0.271 0.000 0.929 193 D HN 0.707 nan 8.370 nan 0.000 0.492 194 G N 0.267 109.294 108.800 0.378 0.000 2.450 194 G HA2 -0.297 3.677 3.960 0.025 0.000 0.220 194 G HA3 -0.297 3.677 3.960 0.025 0.000 0.220 194 G C 1.742 176.830 174.900 0.313 0.000 1.130 194 G CA 0.807 46.102 45.100 0.325 0.000 0.760 194 G HN 0.324 nan 8.290 nan 0.000 0.557 195 S N -0.084 115.785 115.700 0.282 0.000 2.419 195 S HA -0.127 4.358 4.470 0.025 0.000 0.235 195 S C 1.894 176.597 174.600 0.172 0.000 1.019 195 S CA 0.860 59.197 58.200 0.229 0.000 0.982 195 S CB -0.407 62.940 63.200 0.245 0.000 0.789 195 S HN 0.562 nan 8.310 nan 0.000 0.490 196 Y N 1.008 121.441 120.300 0.221 0.000 2.497 196 Y HA 0.101 4.666 4.550 0.025 0.000 0.292 196 Y C 1.574 177.577 175.900 0.172 0.000 1.137 196 Y CA 0.607 58.756 58.100 0.082 0.000 1.285 196 Y CB -0.148 38.209 38.460 -0.171 0.000 0.991 196 Y HN 0.202 nan 8.280 nan 0.000 0.556 197 L N -0.330 121.084 121.223 0.318 0.000 2.667 197 L HA 0.131 4.486 4.340 0.025 0.000 0.232 197 L C -0.020 176.986 176.870 0.227 0.000 1.138 197 L CA 0.427 55.412 54.840 0.242 0.000 0.921 197 L CB 0.089 42.298 42.059 0.250 0.000 1.180 197 L HN 0.128 nan 8.230 nan 0.000 0.487 198 E N -0.085 120.260 120.200 0.242 0.000 3.846 198 E HA 0.048 4.413 4.350 0.025 0.000 0.216 198 E C -0.530 176.169 176.600 0.166 0.000 1.092 198 E CA -0.061 56.465 56.400 0.209 0.000 1.370 198 E CB 0.536 30.352 29.700 0.195 0.000 1.227 198 E HN 0.015 nan 8.360 nan 0.000 0.442 199 D N 1.122 121.573 120.400 0.084 0.000 2.706 199 D HA 0.043 4.698 4.640 0.025 0.000 0.236 199 D C -0.224 176.037 176.300 -0.065 0.000 1.231 199 D CA -0.133 53.798 54.000 -0.115 0.000 0.828 199 D CB 0.182 40.650 40.800 -0.553 0.000 1.015 199 D HN 0.072 nan 8.370 nan 0.000 0.484 200 Q N 0.410 120.272 119.800 0.104 0.000 2.421 200 Q HA 0.132 4.487 4.340 0.025 0.000 0.255 200 Q C -0.122 175.965 176.000 0.145 0.000 1.013 200 Q CA 0.020 55.944 55.803 0.201 0.000 0.895 200 Q CB 0.620 29.650 28.738 0.487 0.000 1.271 200 Q HN 0.060 nan 8.270 nan 0.000 0.460 201 D N 2.966 123.463 120.400 0.162 0.000 2.441 201 D HA 0.183 4.837 4.640 0.025 0.000 0.243 201 D C -0.797 175.615 176.300 0.187 0.000 1.257 201 D CA 0.142 54.221 54.000 0.130 0.000 1.027 201 D CB -0.401 40.454 40.800 0.092 0.000 1.084 201 D HN 0.492 nan 8.370 nan 0.000 0.514 202 M N 0.446 120.133 119.600 0.144 0.000 3.012 202 M HA 0.370 4.865 4.480 0.025 0.000 0.272 202 M C -1.301 175.056 176.300 0.094 0.000 1.187 202 M CA -1.178 54.128 55.300 0.011 0.000 0.813 202 M CB 0.944 33.478 32.600 -0.109 0.000 1.626 202 M HN -0.084 nan 8.290 nan 0.000 0.507 203 W N 1.969 123.333 121.300 0.106 0.000 2.193 203 W HA 0.307 4.982 4.660 0.025 0.000 0.338 203 W C 0.275 176.805 176.519 0.019 0.000 1.310 203 W CA 0.077 57.481 57.345 0.098 0.000 1.243 203 W CB 0.315 29.770 29.460 -0.008 0.000 1.165 203 W HN 0.285 nan 8.180 nan 0.000 0.566 204 R N 4.687 125.345 120.500 0.263 0.000 2.204 204 R HA 0.412 4.767 4.340 0.025 0.000 0.341 204 R C -0.137 176.162 176.300 -0.002 0.000 1.035 204 R CA -0.264 55.912 56.100 0.127 0.000 0.887 204 R CB 0.167 30.612 30.300 0.243 0.000 1.114 204 R HN 0.541 nan 8.270 nan 0.000 0.473 205 M N 0.329 119.819 119.600 -0.183 0.000 2.821 205 M HA 0.523 5.018 4.480 0.025 0.000 0.294 205 M C 0.076 176.011 176.300 -0.607 0.000 1.195 205 M CA -0.827 54.243 55.300 -0.383 0.000 0.784 205 M CB 2.281 34.663 32.600 -0.364 0.000 1.755 205 M HN 0.629 nan 8.290 nan 0.000 0.477 206 S N -1.085 114.111 115.700 -0.840 0.000 2.615 206 S HA 0.963 5.448 4.470 0.025 0.000 0.269 206 S C -0.625 173.426 174.600 -0.915 0.000 1.161 206 S CA -0.154 57.453 58.200 -0.989 0.000 0.817 206 S CB 1.943 64.383 63.200 -1.266 0.000 1.131 206 S HN 1.422 nan 8.310 nan 0.000 0.467 207 G N -0.065 108.457 108.800 -0.463 0.000 2.343 207 G HA2 0.188 4.163 3.960 0.025 0.000 0.465 207 G HA3 0.188 4.163 3.960 0.025 0.000 0.465 207 G C -1.436 173.476 174.900 0.020 0.000 1.282 207 G CA -0.667 44.471 45.100 0.062 0.000 0.996 207 G HN 1.104 nan 8.290 nan 0.000 0.521 208 I N 2.034 122.470 120.570 -0.223 0.000 2.241 208 I HA 0.268 4.453 4.170 0.025 0.000 0.294 208 I C 1.048 177.027 176.117 -0.229 0.000 1.145 208 I CA -0.180 60.874 61.300 -0.410 0.000 1.261 208 I CB -0.243 37.220 38.000 -0.896 0.000 1.475 208 I HN 0.502 nan 8.210 nan 0.000 0.533 209 F N 4.181 123.970 119.950 -0.268 0.000 2.653 209 F HA 0.487 5.029 4.527 0.024 0.000 0.304 209 F C 0.606 176.314 175.800 -0.154 0.000 1.092 209 F CA -0.609 57.267 58.000 -0.207 0.000 1.279 209 F CB 0.124 39.008 39.000 -0.193 0.000 1.044 209 F HN 0.130 nan 8.300 nan 0.000 0.564 210 R N 0.269 120.354 120.500 -0.691 0.000 2.905 210 R HA 0.249 4.604 4.340 0.025 0.000 0.260 210 R C -0.828 175.242 176.300 -0.384 0.000 1.086 210 R CA -1.206 54.566 56.100 -0.545 0.000 0.978 210 R CB 0.736 30.616 30.300 -0.700 0.000 1.215 210 R HN -0.043 nan 8.270 nan 0.000 0.480 211 D N 0.837 121.051 120.400 -0.309 0.000 2.478 211 D HA 0.092 4.746 4.640 0.025 0.000 0.234 211 D C -0.480 175.658 176.300 -0.269 0.000 1.154 211 D CA 0.473 54.332 54.000 -0.234 0.000 0.874 211 D CB 0.668 41.365 40.800 -0.172 0.000 1.198 211 D HN -0.002 nan 8.370 nan 0.000 0.455 212 V N 1.182 120.948 119.914 -0.247 0.000 2.540 212 V HA 0.566 4.700 4.120 0.025 0.000 0.302 212 V C 0.121 176.081 176.094 -0.223 0.000 1.035 212 V CA -0.568 61.526 62.300 -0.344 0.000 0.873 212 V CB 1.598 33.218 31.823 -0.338 0.000 0.992 212 V HN 0.753 nan 8.190 nan 0.000 0.428 213 S N 4.790 120.339 115.700 -0.251 0.000 2.607 213 S HA 0.833 5.318 4.470 0.025 0.000 0.273 213 S C -1.346 173.192 174.600 -0.104 0.000 1.148 213 S CA -0.919 57.203 58.200 -0.129 0.000 0.833 213 S CB 1.854 65.014 63.200 -0.067 0.000 1.130 213 S HN 0.461 nan 8.310 nan 0.000 0.470 214 L N 1.579 122.804 121.223 0.004 0.000 2.333 214 L HA 0.684 5.039 4.340 0.025 0.000 0.280 214 L C -1.308 175.762 176.870 0.334 0.000 1.004 214 L CA -0.853 54.076 54.840 0.149 0.000 0.820 214 L CB 1.656 43.788 42.059 0.122 0.000 1.247 214 L HN 0.690 nan 8.230 nan 0.000 0.416 215 L N 3.370 124.780 121.223 0.311 0.000 2.356 215 L HA 0.463 4.818 4.340 0.025 0.000 0.277 215 L C -0.708 176.224 176.870 0.103 0.000 0.996 215 L CA -0.121 54.844 54.840 0.208 0.000 0.822 215 L CB 1.440 43.564 42.059 0.109 0.000 1.256 215 L HN 0.482 nan 8.230 nan 0.000 0.413 216 H N 5.401 124.284 119.070 -0.312 0.000 2.488 216 H HA 0.477 5.048 4.556 0.025 0.000 0.322 216 H C -1.207 173.911 175.328 -0.351 0.000 1.078 216 H CA -0.551 55.165 56.048 -0.553 0.000 1.260 216 H CB 1.073 29.986 29.762 -1.414 0.000 1.425 216 H HN 0.536 nan 8.280 nan 0.000 0.471 217 K N 5.423 125.446 120.400 -0.629 0.000 2.328 217 K HA 0.380 4.715 4.320 0.025 0.000 0.246 217 K C -2.732 173.610 176.600 -0.431 0.000 0.955 217 K CA -2.052 54.007 56.287 -0.380 0.000 0.817 217 K CB 2.141 34.482 32.500 -0.266 0.000 1.208 217 K HN 0.475 nan 8.250 nan 0.000 0.432 218 P HA 0.168 nan 4.420 nan 0.000 0.274 218 P C 0.498 177.722 177.300 -0.127 0.000 1.246 218 P CA -0.208 62.820 63.100 -0.120 0.000 0.795 218 P CB 0.468 32.138 31.700 -0.051 0.000 1.006 219 T N -1.017 113.489 114.554 -0.081 0.000 2.788 219 T HA -0.050 4.315 4.350 0.025 0.000 0.268 219 T C 0.608 175.266 174.700 -0.069 0.000 1.044 219 T CA 1.615 63.673 62.100 -0.069 0.000 1.139 219 T CB -0.597 68.250 68.868 -0.036 0.000 0.867 219 T HN 0.426 nan 8.240 nan 0.000 0.454 220 T N 3.693 118.214 114.554 -0.055 0.000 2.738 220 T HA 0.454 4.819 4.350 0.025 0.000 0.298 220 T C -0.243 174.415 174.700 -0.070 0.000 0.962 220 T CA -0.610 61.451 62.100 -0.064 0.000 0.972 220 T CB 0.585 69.433 68.868 -0.033 0.000 0.928 220 T HN 0.484 nan 8.240 nan 0.000 0.474 221 Q N 2.471 122.212 119.800 -0.099 0.000 2.565 221 Q HA 0.610 4.965 4.340 0.025 0.000 0.294 221 Q C -1.264 174.669 176.000 -0.111 0.000 1.005 221 Q CA -1.175 54.560 55.803 -0.115 0.000 0.771 221 Q CB 1.284 29.929 28.738 -0.153 0.000 1.486 221 Q HN 0.450 nan 8.270 nan 0.000 0.422 222 I N 2.541 123.028 120.570 -0.138 0.000 2.436 222 I HA 0.038 4.223 4.170 0.025 0.000 0.289 222 I C 0.747 176.771 176.117 -0.154 0.000 1.083 222 I CA 0.001 61.243 61.300 -0.097 0.000 1.372 222 I CB 1.105 39.023 38.000 -0.135 0.000 1.408 222 I HN 0.874 nan 8.210 nan 0.000 0.516 223 S N 2.538 118.248 115.700 0.016 0.000 2.511 223 S HA 0.202 4.687 4.470 0.025 0.000 0.214 223 S C 0.159 174.960 174.600 0.336 0.000 0.997 223 S CA -0.263 58.015 58.200 0.129 0.000 0.908 223 S CB 0.233 63.468 63.200 0.057 0.000 0.803 223 S HN 0.716 nan 8.310 nan 0.000 0.504 224 D N -0.190 120.397 120.400 0.312 0.000 2.685 224 D HA 0.506 5.161 4.640 0.025 0.000 0.236 224 D C -1.913 174.527 176.300 0.233 0.000 1.233 224 D CA -0.715 53.453 54.000 0.279 0.000 0.760 224 D CB 1.557 42.425 40.800 0.113 0.000 1.410 224 D HN 0.192 nan 8.370 nan 0.000 0.439 225 F N -0.487 119.516 119.950 0.088 0.000 2.615 225 F HA 0.613 5.155 4.527 0.025 0.000 0.312 225 F C -1.452 174.398 175.800 0.083 0.000 1.119 225 F CA -0.792 57.194 58.000 -0.023 0.000 0.979 225 F CB 1.240 40.278 39.000 0.063 0.000 1.266 225 F HN 0.233 nan 8.300 nan 0.000 0.444 226 H N 1.929 121.057 119.070 0.097 0.000 2.529 226 H HA 0.747 5.318 4.556 0.025 0.000 0.348 226 H C -1.281 174.090 175.328 0.071 0.000 1.079 226 H CA -1.493 54.555 56.048 -0.001 0.000 1.198 226 H CB 2.610 32.357 29.762 -0.026 0.000 1.521 226 H HN 0.611 nan 8.280 nan 0.000 0.514 227 V N 2.420 122.437 119.914 0.171 0.000 2.448 227 V HA 0.635 4.770 4.120 0.025 0.000 0.295 227 V C -0.222 175.870 176.094 -0.003 0.000 1.025 227 V CA -0.545 61.809 62.300 0.089 0.000 0.859 227 V CB 1.281 33.157 31.823 0.087 0.000 0.988 227 V HN 0.931 nan 8.190 nan 0.000 0.431 228 A N 3.402 126.198 122.820 -0.039 0.000 2.380 228 A HA 0.961 5.296 4.320 0.025 0.000 0.315 228 A C -0.107 177.377 177.584 -0.166 0.000 1.101 228 A CA -0.517 51.474 52.037 -0.076 0.000 0.771 228 A CB 1.919 20.894 19.000 -0.041 0.000 1.287 228 A HN 0.924 nan 8.150 nan 0.000 0.436 229 T N -0.100 114.335 114.554 -0.199 0.000 2.890 229 T HA 0.709 5.074 4.350 0.025 0.000 0.295 229 T C -0.555 173.928 174.700 -0.362 0.000 0.993 229 T CA -0.698 61.186 62.100 -0.361 0.000 0.979 229 T CB 0.819 69.355 68.868 -0.554 0.000 0.967 229 T HN 0.710 nan 8.240 nan 0.000 0.441 230 R N 2.054 122.283 120.500 -0.451 0.000 2.778 230 R HA 0.840 5.195 4.340 0.025 0.000 0.277 230 R C -1.118 174.816 176.300 -0.609 0.000 0.977 230 R CA -0.765 55.139 56.100 -0.326 0.000 0.950 230 R CB 1.482 31.712 30.300 -0.117 0.000 1.165 230 R HN 0.537 nan 8.270 nan 0.000 0.474 231 F N 0.072 120.014 119.950 -0.013 0.000 2.631 231 F HA 0.374 4.915 4.527 0.022 0.000 0.328 231 F C 0.458 176.131 175.800 -0.212 0.000 1.067 231 F CA -1.123 56.813 58.000 -0.106 0.000 0.969 231 F CB 1.062 39.923 39.000 -0.231 0.000 1.332 231 F HN 0.562 nan 8.300 nan 0.000 0.490 232 N N -0.004 118.683 118.700 -0.022 0.000 2.366 232 N HA 0.042 4.797 4.740 0.025 0.000 0.277 232 N C 0.463 175.817 175.510 -0.260 0.000 1.275 232 N CA -0.090 52.901 53.050 -0.098 0.000 0.964 232 N CB 0.043 38.500 38.487 -0.050 0.000 1.167 232 N HN 0.674 nan 8.380 nan 0.000 0.568 233 D N -1.510 118.787 120.400 -0.173 0.000 2.178 233 D HA -0.208 4.447 4.640 0.025 0.000 0.201 233 D C 0.207 176.402 176.300 -0.175 0.000 0.980 233 D CA 1.331 55.226 54.000 -0.175 0.000 0.842 233 D CB -0.516 40.249 40.800 -0.057 0.000 0.948 233 D HN 0.726 nan 8.370 nan 0.000 0.472 234 D N -1.538 118.808 120.400 -0.089 0.000 2.462 234 D HA 0.033 4.688 4.640 0.025 0.000 0.221 234 D C 0.081 176.521 176.300 0.235 0.000 1.173 234 D CA -0.951 53.111 54.000 0.104 0.000 0.831 234 D CB -1.011 39.855 40.800 0.110 0.000 1.001 234 D HN 0.154 nan 8.370 nan 0.000 0.499 235 F N 0.324 120.325 119.950 0.085 0.000 2.953 235 F HA -0.290 4.251 4.527 0.024 0.000 0.292 235 F C 1.654 177.535 175.800 0.135 0.000 0.747 235 F CA 0.803 58.864 58.000 0.102 0.000 1.222 235 F CB -2.487 36.465 39.000 -0.079 0.000 1.457 235 F HN 0.215 nan 8.300 nan 0.000 0.383 236 S N -0.843 114.960 115.700 0.171 0.000 2.528 236 S HA 0.212 4.697 4.470 0.025 0.000 0.219 236 S C 0.662 175.316 174.600 0.089 0.000 0.985 236 S CA -0.080 58.195 58.200 0.124 0.000 0.914 236 S CB 0.377 63.627 63.200 0.083 0.000 0.776 236 S HN 0.351 nan 8.310 nan 0.000 0.526 237 R N 0.634 121.193 120.500 0.098 0.000 2.621 237 R HA 0.808 5.163 4.340 0.025 0.000 0.284 237 R C -1.321 175.014 176.300 0.058 0.000 0.998 237 R CA -0.371 55.756 56.100 0.045 0.000 0.895 237 R CB 1.877 32.181 30.300 0.006 0.000 1.195 237 R HN 0.207 nan 8.270 nan 0.000 0.450 238 A N 1.634 124.430 122.820 -0.039 0.000 2.498 238 A HA 0.704 5.038 4.320 0.025 0.000 0.298 238 A C -1.054 176.449 177.584 -0.135 0.000 1.075 238 A CA -0.721 51.209 52.037 -0.179 0.000 0.714 238 A CB 2.176 21.053 19.000 -0.205 0.000 1.299 238 A HN 0.336 nan 8.150 nan 0.000 0.407 239 V N 1.976 121.785 119.914 -0.176 0.000 2.378 239 V HA 0.392 4.527 4.120 0.025 0.000 0.288 239 V C -0.362 175.671 176.094 -0.102 0.000 1.016 239 V CA -0.320 61.915 62.300 -0.107 0.000 0.840 239 V CB 1.217 32.982 31.823 -0.096 0.000 0.994 239 V HN 0.781 nan 8.190 nan 0.000 0.431 240 L N 4.770 125.974 121.223 -0.032 0.000 2.265 240 L HA 0.573 4.928 4.340 0.025 0.000 0.288 240 L C 0.046 176.879 176.870 -0.061 0.000 1.058 240 L CA 0.106 54.907 54.840 -0.066 0.000 0.809 240 L CB 1.021 43.076 42.059 -0.006 0.000 1.179 240 L HN 0.762 nan 8.230 nan 0.000 0.429 241 E N 4.302 124.461 120.200 -0.068 0.000 2.165 241 E HA 0.621 4.986 4.350 0.025 0.000 0.266 241 E C -1.343 175.253 176.600 -0.007 0.000 0.889 241 E CA -0.735 55.644 56.400 -0.036 0.000 0.756 241 E CB 1.619 31.298 29.700 -0.036 0.000 1.131 241 E HN 0.707 nan 8.360 nan 0.000 0.411 242 A N 4.762 127.585 122.820 0.005 0.000 2.293 242 A HA 0.278 4.613 4.320 0.025 0.000 0.312 242 A C -0.497 177.103 177.584 0.027 0.000 1.309 242 A CA -0.634 51.429 52.037 0.044 0.000 0.839 242 A CB 0.820 19.844 19.000 0.040 0.000 1.155 242 A HN 0.732 nan 8.150 nan 0.000 0.501 243 E N 2.567 122.783 120.200 0.027 0.000 2.229 243 E HA 0.507 4.872 4.350 0.025 0.000 0.283 243 E C -1.217 175.356 176.600 -0.045 0.000 1.030 243 E CA -0.261 56.118 56.400 -0.035 0.000 0.836 243 E CB 0.967 30.621 29.700 -0.076 0.000 1.068 243 E HN 0.372 nan 8.360 nan 0.000 0.401 244 V N 4.705 124.619 119.914 0.000 0.000 2.656 244 V HA 0.295 4.430 4.120 0.025 0.000 0.307 244 V C -0.518 175.663 176.094 0.145 0.000 1.051 244 V CA -0.816 61.535 62.300 0.085 0.000 0.893 244 V CB 1.819 33.694 31.823 0.087 0.000 0.999 244 V HN 0.750 nan 8.190 nan 0.000 0.426 245 Q N 3.857 123.728 119.800 0.119 0.000 2.348 245 Q HA 0.860 5.215 4.340 0.025 0.000 0.271 245 Q C -0.903 175.130 176.000 0.056 0.000 1.067 245 Q CA -0.936 54.916 55.803 0.082 0.000 0.839 245 Q CB 2.750 31.473 28.738 -0.025 0.000 1.354 245 Q HN 0.803 nan 8.270 nan 0.000 0.447 246 M N -1.051 118.462 119.600 -0.144 0.000 2.690 246 M HA 0.771 5.266 4.480 0.025 0.000 0.302 246 M C -1.391 174.776 176.300 -0.221 0.000 1.234 246 M CA -0.493 54.656 55.300 -0.252 0.000 0.853 246 M CB 1.646 33.878 32.600 -0.614 0.000 1.748 246 M HN 0.542 nan 8.290 nan 0.000 0.469 247 C N 0.763 119.959 119.300 -0.173 0.000 2.707 247 C HA 1.042 5.517 4.460 0.025 0.000 0.313 247 C C 0.561 175.466 174.990 -0.142 0.000 1.209 247 C CA 0.500 59.440 59.018 -0.130 0.000 1.635 247 C CB 1.032 28.728 27.740 -0.074 0.000 2.206 247 C HN 1.419 nan 8.230 nan 0.000 0.485 248 G N 1.571 110.301 108.800 -0.117 0.000 2.422 248 G HA2 0.044 4.019 3.960 0.025 0.000 0.607 248 G HA3 0.044 4.019 3.960 0.025 0.000 0.607 248 G C -1.095 173.734 174.900 -0.118 0.000 1.270 248 G CA -0.581 44.457 45.100 -0.104 0.000 0.992 248 G HN 0.942 nan 8.290 nan 0.000 0.499 249 E N -0.177 119.964 120.200 -0.099 0.000 2.290 249 E HA 0.430 4.795 4.350 0.025 0.000 0.277 249 E C 0.544 177.051 176.600 -0.154 0.000 1.035 249 E CA -0.501 55.836 56.400 -0.104 0.000 0.873 249 E CB 0.321 29.979 29.700 -0.069 0.000 1.029 249 E HN 0.461 nan 8.360 nan 0.000 0.419 250 L N 4.963 126.088 121.223 -0.163 0.000 2.426 250 L HA 0.302 4.657 4.340 0.025 0.000 0.271 250 L C 0.469 177.214 176.870 -0.208 0.000 1.169 250 L CA -0.033 54.690 54.840 -0.194 0.000 0.836 250 L CB 0.448 42.419 42.059 -0.146 0.000 1.112 250 L HN 0.505 nan 8.230 nan 0.000 0.465 251 R N 1.515 121.840 120.500 -0.292 0.000 2.626 251 R HA 0.173 4.528 4.340 0.025 0.000 0.274 251 R C -0.310 175.762 176.300 -0.381 0.000 1.031 251 R CA -0.773 55.055 56.100 -0.453 0.000 0.898 251 R CB 1.655 31.329 30.300 -1.043 0.000 1.222 251 R HN 0.530 nan 8.270 nan 0.000 0.455 252 D N 1.078 121.338 120.400 -0.233 0.000 2.263 252 D HA -0.142 4.513 4.640 0.025 0.000 0.208 252 D C 1.483 177.760 176.300 -0.038 0.000 0.971 252 D CA 1.520 55.468 54.000 -0.087 0.000 0.867 252 D CB 0.150 40.942 40.800 -0.013 0.000 0.929 252 D HN 0.566 nan 8.370 nan 0.000 0.492 253 Y N -0.111 120.201 120.300 0.020 0.000 2.546 253 Y HA 0.244 4.809 4.550 0.025 0.000 0.287 253 Y C 0.776 176.676 175.900 -0.001 0.000 1.158 253 Y CA -0.449 57.657 58.100 0.011 0.000 1.307 253 Y CB -0.893 37.575 38.460 0.014 0.000 1.036 253 Y HN -0.198 nan 8.280 nan 0.000 0.532 254 L N 2.503 123.694 121.223 -0.053 0.000 2.439 254 L HA 0.332 4.687 4.340 0.025 0.000 0.269 254 L C 0.271 177.109 176.870 -0.053 0.000 1.179 254 L CA -0.153 54.708 54.840 0.035 0.000 0.828 254 L CB 0.473 42.587 42.059 0.091 0.000 1.106 254 L HN 0.147 nan 8.230 nan 0.000 0.467 255 R N 1.518 121.873 120.500 -0.242 0.000 2.774 255 R HA 0.680 5.035 4.340 0.025 0.000 0.272 255 R C -1.530 174.426 176.300 -0.573 0.000 1.000 255 R CA -0.800 55.019 56.100 -0.469 0.000 0.906 255 R CB 2.258 32.105 30.300 -0.756 0.000 1.227 255 R HN 0.276 nan 8.270 nan 0.000 0.468 256 V N 0.950 120.575 119.914 -0.483 0.000 2.588 256 V HA 0.495 4.630 4.120 0.025 0.000 0.304 256 V C -0.392 175.651 176.094 -0.085 0.000 1.042 256 V CA -0.514 61.604 62.300 -0.302 0.000 0.877 256 V CB 2.360 33.937 31.823 -0.410 0.000 0.996 256 V HN 0.720 nan 8.190 nan 0.000 0.425 257 T N 4.067 118.681 114.554 0.101 0.000 2.807 257 T HA 0.621 4.986 4.350 0.025 0.000 0.279 257 T C -0.679 174.039 174.700 0.030 0.000 0.993 257 T CA -0.362 61.801 62.100 0.105 0.000 0.970 257 T CB 1.633 70.593 68.868 0.153 0.000 0.950 257 T HN 0.336 nan 8.240 nan 0.000 0.441 258 V N 3.772 123.685 119.914 -0.002 0.000 2.409 258 V HA 0.681 4.816 4.120 0.025 0.000 0.291 258 V C 0.003 176.096 176.094 -0.000 0.000 1.020 258 V CA -0.751 61.544 62.300 -0.009 0.000 0.848 258 V CB 1.728 33.534 31.823 -0.027 0.000 0.990 258 V HN 1.033 nan 8.190 nan 0.000 0.430 259 S N 5.471 121.197 115.700 0.043 0.000 2.536 259 S HA 0.865 5.350 4.470 0.025 0.000 0.298 259 S C -1.146 173.474 174.600 0.032 0.000 1.083 259 S CA -0.743 57.457 58.200 0.001 0.000 0.995 259 S CB 2.076 65.304 63.200 0.047 0.000 1.058 259 S HN 0.582 nan 8.310 nan 0.000 0.488 260 L N 2.512 123.641 121.223 -0.156 0.000 2.333 260 L HA 0.801 5.156 4.340 0.025 0.000 0.280 260 L C -1.971 174.800 176.870 -0.166 0.000 1.004 260 L CA -0.346 54.495 54.840 0.002 0.000 0.820 260 L CB 0.975 43.053 42.059 0.031 0.000 1.247 260 L HN 0.900 nan 8.230 nan 0.000 0.416 261 W N 3.507 124.915 121.300 0.180 0.000 2.761 261 W HA 0.635 5.310 4.660 0.025 0.000 0.340 261 W C -0.639 175.973 176.519 0.156 0.000 1.072 261 W CA -0.500 56.925 57.345 0.133 0.000 1.215 261 W CB 1.559 31.047 29.460 0.046 0.000 1.420 261 W HN 0.371 nan 8.180 nan 0.000 0.519 262 Q N 2.196 122.146 119.800 0.251 0.000 2.454 262 Q HA 0.515 4.870 4.340 0.025 0.000 0.255 262 Q C 0.501 176.526 176.000 0.041 0.000 1.034 262 Q CA 0.291 56.064 55.803 -0.049 0.000 0.736 262 Q CB 0.702 29.290 28.738 -0.252 0.000 1.210 262 Q HN 0.752 nan 8.270 nan 0.000 0.500 263 G N 3.229 112.056 108.800 0.045 0.000 2.565 263 G HA2 -0.347 3.628 3.960 0.025 0.000 0.295 263 G HA3 -0.347 3.628 3.960 0.025 0.000 0.295 263 G C 0.591 175.569 174.900 0.130 0.000 1.165 263 G CA 0.349 45.477 45.100 0.046 0.000 0.977 263 G HN 0.571 nan 8.290 nan 0.000 0.546 264 E N 0.972 121.245 120.200 0.122 0.000 2.474 264 E HA 0.144 4.509 4.350 0.025 0.000 0.194 264 E C 0.517 177.321 176.600 0.341 0.000 1.041 264 E CA 0.537 57.039 56.400 0.171 0.000 0.874 264 E CB 0.132 29.872 29.700 0.068 0.000 0.914 264 E HN 0.395 nan 8.360 nan 0.000 0.498 265 T N 1.171 115.885 114.554 0.267 0.000 2.856 265 T HA 0.101 4.465 4.350 0.025 0.000 0.292 265 T C -0.056 174.703 174.700 0.098 0.000 0.980 265 T CA -0.199 62.005 62.100 0.174 0.000 1.091 265 T CB 1.538 70.445 68.868 0.066 0.000 0.936 265 T HN 0.021 nan 8.240 nan 0.000 0.503 266 Q N 3.290 122.935 119.800 -0.258 0.000 2.349 266 Q HA 0.266 4.621 4.340 0.025 0.000 0.254 266 Q C 0.437 176.157 176.000 -0.468 0.000 0.980 266 Q CA -0.424 54.820 55.803 -0.933 0.000 0.924 266 Q CB 0.660 28.657 28.738 -1.236 0.000 1.209 266 Q HN 0.542 nan 8.270 nan 0.000 0.445 267 V N 3.059 122.759 119.914 -0.357 0.000 2.488 267 V HA 0.132 4.266 4.120 0.025 0.000 0.246 267 V C 0.535 176.522 176.094 -0.179 0.000 1.046 267 V CA 1.506 63.712 62.300 -0.156 0.000 1.053 267 V CB -0.058 31.777 31.823 0.021 0.000 0.679 267 V HN 0.817 nan 8.190 nan 0.000 0.458 268 A N -1.474 121.202 122.820 -0.241 0.000 2.601 268 A HA 0.764 5.099 4.320 0.025 0.000 0.291 268 A C -0.763 176.699 177.584 -0.203 0.000 1.075 268 A CA 0.135 52.065 52.037 -0.179 0.000 0.671 268 A CB 1.831 20.763 19.000 -0.113 0.000 1.277 268 A HN 0.119 nan 8.150 nan 0.000 0.417 269 S N -1.067 114.550 115.700 -0.139 0.000 2.556 269 S HA 0.720 5.205 4.470 0.025 0.000 0.280 269 S C -0.640 173.918 174.600 -0.070 0.000 1.141 269 S CA 0.277 58.410 58.200 -0.111 0.000 0.883 269 S CB 1.383 64.505 63.200 -0.130 0.000 1.103 269 S HN 2.390 nan 8.310 nan 0.000 0.453 270 G N 1.774 110.545 108.800 -0.047 0.000 2.706 270 G HA2 0.680 4.655 3.960 0.025 0.000 0.297 270 G HA3 0.680 4.655 3.960 0.025 0.000 0.297 270 G C -1.325 173.562 174.900 -0.023 0.000 1.403 270 G CA -0.437 44.640 45.100 -0.038 0.000 0.954 270 G HN 0.730 nan 8.290 nan 0.000 0.500 271 T N -0.288 114.255 114.554 -0.018 0.000 2.900 271 T HA 0.866 5.231 4.350 0.025 0.000 0.295 271 T C -0.384 174.285 174.700 -0.052 0.000 1.044 271 T CA -0.044 62.052 62.100 -0.006 0.000 0.995 271 T CB 1.883 70.783 68.868 0.054 0.000 1.072 271 T HN 1.602 nan 8.240 nan 0.000 0.473 272 A N 3.037 125.791 122.820 -0.110 0.000 2.605 272 A HA 0.873 5.208 4.320 0.025 0.000 0.294 272 A C -3.124 174.319 177.584 -0.234 0.000 1.062 272 A CA -1.504 50.449 52.037 -0.140 0.000 0.682 272 A CB 1.255 20.171 19.000 -0.140 0.000 1.278 272 A HN 0.532 nan 8.150 nan 0.000 0.410 273 P HA 0.515 nan 4.420 nan 0.000 0.276 273 P C -0.548 176.597 177.300 -0.258 0.000 1.261 273 P CA -0.240 62.747 63.100 -0.189 0.000 0.800 273 P CB 0.391 32.052 31.700 -0.066 0.000 1.066 274 F N -0.150 119.763 119.950 -0.062 0.000 2.450 274 F HA 0.462 5.004 4.527 0.024 0.000 0.339 274 F C 1.476 177.260 175.800 -0.026 0.000 1.146 274 F CA 1.535 59.508 58.000 -0.045 0.000 1.267 274 F CB 0.310 39.279 39.000 -0.052 0.000 1.178 274 F HN 0.574 nan 8.300 nan 0.000 0.585 275 G N 1.608 110.530 108.800 0.202 0.000 2.648 275 G HA2 0.355 4.330 3.960 0.025 0.000 0.317 275 G HA3 0.355 4.330 3.960 0.025 0.000 0.317 275 G C -0.516 174.439 174.900 0.092 0.000 1.216 275 G CA -0.707 44.466 45.100 0.122 0.000 1.210 275 G HN 1.033 nan 8.290 nan 0.000 0.583 276 G N 0.626 109.502 108.800 0.126 0.000 2.580 276 G HA2 0.701 4.676 3.960 0.025 0.000 0.278 276 G HA3 0.701 4.676 3.960 0.025 0.000 0.278 276 G C 0.452 175.399 174.900 0.079 0.000 1.212 276 G CA -0.026 45.138 45.100 0.106 0.000 0.939 276 G HN 1.097 nan 8.290 nan 0.000 0.513 277 E N -0.825 119.414 120.200 0.064 0.000 2.422 277 E HA 0.167 4.532 4.350 0.025 0.000 0.260 277 E C -0.110 176.519 176.600 0.048 0.000 1.108 277 E CA -0.501 55.926 56.400 0.045 0.000 0.943 277 E CB 0.859 30.581 29.700 0.036 0.000 0.961 277 E HN 0.306 nan 8.360 nan 0.000 0.443 278 I N 2.028 122.613 120.570 0.026 0.000 2.752 278 I HA -0.146 4.039 4.170 0.025 0.000 0.289 278 I C 0.844 176.974 176.117 0.022 0.000 1.197 278 I CA 0.108 61.416 61.300 0.013 0.000 1.432 278 I CB 0.296 38.298 38.000 0.003 0.000 1.359 278 I HN 0.635 nan 8.210 nan 0.000 0.571 279 I N 3.741 124.318 120.570 0.013 0.000 3.300 279 I HA 0.087 4.271 4.170 0.025 0.000 0.279 279 I C 0.480 176.601 176.117 0.007 0.000 1.172 279 I CA 0.931 62.249 61.300 0.030 0.000 1.431 279 I CB -0.610 37.414 38.000 0.040 0.000 1.240 279 I HN 0.694 nan 8.210 nan 0.000 0.453 280 D N -1.378 119.011 120.400 -0.019 0.000 2.921 280 D HA 0.123 4.778 4.640 0.025 0.000 0.329 280 D C 0.373 176.658 176.300 -0.025 0.000 1.293 280 D CA -0.412 53.578 54.000 -0.018 0.000 0.964 280 D CB 0.512 41.300 40.800 -0.019 0.000 1.435 280 D HN -0.285 nan 8.370 nan 0.000 0.548 281 E N -1.031 119.156 120.200 -0.022 0.000 2.267 281 E HA -0.055 4.309 4.350 0.025 0.000 0.197 281 E C 1.325 177.907 176.600 -0.031 0.000 0.998 281 E CA 0.973 57.360 56.400 -0.022 0.000 0.830 281 E CB -0.029 29.661 29.700 -0.017 0.000 0.751 281 E HN 0.208 nan 8.360 nan 0.000 0.491 282 R N -0.479 119.994 120.500 -0.045 0.000 2.334 282 R HA 0.294 4.649 4.340 0.025 0.000 0.216 282 R C 0.828 177.086 176.300 -0.070 0.000 0.905 282 R CA 0.708 56.775 56.100 -0.056 0.000 1.064 282 R CB 0.652 30.912 30.300 -0.068 0.000 1.046 282 R HN 0.209 nan 8.270 nan 0.000 0.508 283 G N -0.687 108.074 108.800 -0.066 0.000 2.341 283 G HA2 -0.067 3.908 3.960 0.025 0.000 0.196 283 G HA3 -0.067 3.908 3.960 0.025 0.000 0.196 283 G C -0.349 174.499 174.900 -0.087 0.000 1.231 283 G CA -0.627 44.434 45.100 -0.065 0.000 1.155 283 G HN 0.446 nan 8.290 nan 0.000 0.529 284 G N -1.968 106.779 108.800 -0.090 0.000 3.105 284 G HA2 0.655 4.630 3.960 0.025 0.000 0.277 284 G HA3 0.655 4.630 3.960 0.025 0.000 0.277 284 G C -1.598 173.215 174.900 -0.144 0.000 1.375 284 G CA -0.751 44.305 45.100 -0.074 0.000 0.962 284 G HN 0.766 nan 8.290 nan 0.000 0.541 285 Y N 0.936 121.247 120.300 0.019 0.000 2.477 285 Y HA 0.424 4.988 4.550 0.024 0.000 0.349 285 Y C 1.425 177.344 175.900 0.032 0.000 0.977 285 Y CA 0.144 58.256 58.100 0.020 0.000 1.214 285 Y CB 1.718 40.195 38.460 0.027 0.000 1.124 285 Y HN 0.549 nan 8.280 nan 0.000 0.521 286 A N 1.768 124.654 122.820 0.110 0.000 2.119 286 A HA -0.127 4.207 4.320 0.025 0.000 0.217 286 A C 1.319 178.961 177.584 0.097 0.000 1.153 286 A CA 1.292 53.380 52.037 0.085 0.000 0.692 286 A CB -0.271 18.741 19.000 0.020 0.000 0.799 286 A HN 0.787 nan 8.150 nan 0.000 0.458 287 D N -0.781 119.666 120.400 0.079 0.000 2.358 287 D HA 0.146 4.801 4.640 0.025 0.000 0.224 287 D C 0.503 176.815 176.300 0.020 0.000 1.123 287 D CA -0.036 53.908 54.000 -0.094 0.000 0.833 287 D CB -0.014 40.724 40.800 -0.103 0.000 0.946 287 D HN 0.396 nan 8.370 nan 0.000 0.505 288 R N -0.901 119.773 120.500 0.291 0.000 2.855 288 R HA 0.770 5.125 4.340 0.025 0.000 0.266 288 R C -1.564 174.936 176.300 0.334 0.000 1.034 288 R CA -1.176 55.121 56.100 0.329 0.000 0.944 288 R CB 2.948 33.303 30.300 0.093 0.000 1.219 288 R HN -0.024 nan 8.270 nan 0.000 0.474 289 V N 0.051 120.050 119.914 0.141 0.000 3.077 289 V HA 0.469 4.604 4.120 0.025 0.000 0.299 289 V C -1.622 174.447 176.094 -0.042 0.000 1.276 289 V CA -0.315 61.972 62.300 -0.022 0.000 0.993 289 V CB 2.791 34.472 31.823 -0.236 0.000 1.076 289 V HN 0.813 nan 8.190 nan 0.000 0.434 290 T N 7.118 121.648 114.554 -0.040 0.000 2.786 290 T HA 0.604 4.969 4.350 0.025 0.000 0.283 290 T C -0.928 173.744 174.700 -0.047 0.000 0.992 290 T CA -0.400 61.680 62.100 -0.034 0.000 0.954 290 T CB 1.026 69.885 68.868 -0.015 0.000 0.934 290 T HN 0.449 nan 8.240 nan 0.000 0.440 291 L N 3.624 124.819 121.223 -0.047 0.000 2.322 291 L HA 0.571 4.926 4.340 0.025 0.000 0.279 291 L C 0.448 177.296 176.870 -0.036 0.000 1.036 291 L CA -0.445 54.365 54.840 -0.048 0.000 0.807 291 L CB 1.402 43.429 42.059 -0.052 0.000 1.226 291 L HN 0.546 nan 8.230 nan 0.000 0.433 292 R N 4.189 124.667 120.500 -0.038 0.000 2.409 292 R HA 0.679 5.034 4.340 0.025 0.000 0.313 292 R C -1.125 175.151 176.300 -0.039 0.000 0.953 292 R CA -0.639 55.439 56.100 -0.037 0.000 0.849 292 R CB 1.915 32.193 30.300 -0.036 0.000 1.171 292 R HN 0.470 nan 8.270 nan 0.000 0.458 293 L N 2.842 124.042 121.223 -0.038 0.000 2.341 293 L HA 0.447 4.802 4.340 0.025 0.000 0.278 293 L C -0.208 176.636 176.870 -0.043 0.000 1.005 293 L CA -1.068 53.747 54.840 -0.041 0.000 0.818 293 L CB 1.736 43.773 42.059 -0.036 0.000 1.259 293 L HN 0.472 nan 8.230 nan 0.000 0.418 294 N N 2.269 120.938 118.700 -0.053 0.000 2.499 294 N HA 0.409 5.164 4.740 0.025 0.000 0.281 294 N C -0.887 174.575 175.510 -0.080 0.000 1.098 294 N CA -0.248 52.765 53.050 -0.061 0.000 0.979 294 N CB 2.667 41.121 38.487 -0.054 0.000 1.121 294 N HN 0.191 nan 8.380 nan 0.000 0.466 295 V N 2.135 121.985 119.914 -0.107 0.000 2.443 295 V HA 0.185 4.320 4.120 0.025 0.000 0.293 295 V C -0.137 175.872 176.094 -0.143 0.000 1.021 295 V CA -0.852 61.346 62.300 -0.171 0.000 0.848 295 V CB 1.932 33.539 31.823 -0.359 0.000 0.998 295 V HN 0.471 nan 8.190 nan 0.000 0.424 296 E N 2.992 123.134 120.200 -0.097 0.000 2.283 296 E HA 0.302 4.667 4.350 0.025 0.000 0.278 296 E C 0.277 176.850 176.600 -0.045 0.000 1.027 296 E CA -0.308 56.060 56.400 -0.053 0.000 0.843 296 E CB 0.660 30.341 29.700 -0.033 0.000 1.062 296 E HN 0.758 nan 8.360 nan 0.000 0.401 297 N N 1.222 119.918 118.700 -0.006 0.000 2.725 297 N HA -0.148 4.607 4.740 0.025 0.000 0.251 297 N C -2.455 173.057 175.510 0.002 0.000 1.031 297 N CA -0.014 53.048 53.050 0.020 0.000 0.720 297 N CB -1.019 37.481 38.487 0.022 0.000 0.930 297 N HN 0.316 nan 8.380 nan 0.000 0.543 298 P HA -0.023 nan 4.420 nan 0.000 0.267 298 P C -0.339 176.994 177.300 0.056 0.000 1.200 298 P CA 0.497 63.498 63.100 -0.165 0.000 0.772 298 P CB 0.677 32.124 31.700 -0.422 0.000 0.855 299 K N 2.547 123.071 120.400 0.206 0.000 2.312 299 K HA 0.279 4.614 4.320 0.025 0.000 0.287 299 K C 0.214 176.981 176.600 0.279 0.000 1.062 299 K CA -0.388 56.017 56.287 0.197 0.000 0.934 299 K CB 0.199 32.792 32.500 0.155 0.000 1.027 299 K HN 0.411 nan 8.250 nan 0.000 0.478 300 L N 2.530 123.841 121.223 0.147 0.000 2.395 300 L HA 0.301 4.656 4.340 0.025 0.000 0.269 300 L C -0.036 176.918 176.870 0.139 0.000 1.133 300 L CA -0.781 54.145 54.840 0.142 0.000 0.812 300 L CB 0.397 42.386 42.059 -0.116 0.000 1.125 300 L HN 0.610 nan 8.230 nan 0.000 0.452 301 W N 2.975 124.308 121.300 0.055 0.000 2.376 301 W HA 0.498 5.173 4.660 0.024 0.000 0.322 301 W C -0.041 176.439 176.519 -0.066 0.000 1.160 301 W CA 0.081 57.447 57.345 0.035 0.000 1.218 301 W CB 1.348 30.879 29.460 0.118 0.000 1.205 301 W HN 0.634 nan 8.180 nan 0.000 0.559 302 S N 2.854 117.996 115.700 -0.929 0.000 2.643 302 S HA 0.654 5.139 4.470 0.025 0.000 0.270 302 S C 0.106 173.920 174.600 -1.310 0.000 1.166 302 S CA -0.366 57.334 58.200 -0.834 0.000 0.815 302 S CB 1.105 64.129 63.200 -0.294 0.000 1.139 302 S HN 0.966 nan 8.310 nan 0.000 0.472 303 A N 0.426 122.656 122.820 -0.984 0.000 2.014 303 A HA 0.068 4.403 4.320 0.025 0.000 0.218 303 A C 1.775 179.035 177.584 -0.539 0.000 1.163 303 A CA 1.364 52.831 52.037 -0.950 0.000 0.652 303 A CB -0.959 17.329 19.000 -1.188 0.000 0.808 303 A HN 0.860 nan 8.150 nan 0.000 0.449 304 E N -0.764 119.264 120.200 -0.287 0.000 2.072 304 E HA 0.010 4.375 4.350 0.025 0.000 0.191 304 E C -0.256 176.207 176.600 -0.229 0.000 0.985 304 E CA 0.736 57.023 56.400 -0.188 0.000 0.801 304 E CB -0.016 29.713 29.700 0.048 0.000 0.750 304 E HN 0.600 nan 8.360 nan 0.000 0.452 305 I N 1.634 122.048 120.570 -0.260 0.000 2.542 305 I HA 0.153 4.338 4.170 0.025 0.000 0.278 305 I C -2.530 173.373 176.117 -0.356 0.000 1.069 305 I CA -1.943 59.224 61.300 -0.221 0.000 1.100 305 I CB 2.368 40.291 38.000 -0.128 0.000 1.204 305 I HN -0.224 nan 8.210 nan 0.000 0.470 306 P HA 0.113 nan 4.420 nan 0.000 0.220 306 P C -0.628 176.646 177.300 -0.042 0.000 1.806 306 P CA -0.316 62.474 63.100 -0.518 0.000 0.976 306 P CB -0.225 31.331 31.700 -0.241 0.000 1.952 307 N N 1.837 120.549 118.700 0.020 0.000 2.454 307 N HA 0.125 4.880 4.740 0.025 0.000 0.260 307 N C 0.061 175.783 175.510 0.354 0.000 1.218 307 N CA 0.537 53.675 53.050 0.147 0.000 0.904 307 N CB 0.716 39.296 38.487 0.156 0.000 1.065 307 N HN 0.303 nan 8.380 nan 0.000 0.462 308 L N 2.185 123.548 121.223 0.233 0.000 2.371 308 L HA 0.469 4.823 4.340 0.025 0.000 0.262 308 L C -0.864 176.104 176.870 0.162 0.000 1.006 308 L CA -0.848 54.188 54.840 0.327 0.000 0.818 308 L CB 1.387 43.595 42.059 0.249 0.000 1.354 308 L HN 0.384 nan 8.230 nan 0.000 0.415 309 Y N 0.225 120.676 120.300 0.251 0.000 2.631 309 Y HA 0.674 5.239 4.550 0.026 0.000 0.328 309 Y C -0.205 175.816 175.900 0.203 0.000 1.118 309 Y CA -0.831 57.416 58.100 0.245 0.000 1.206 309 Y CB 1.600 40.264 38.460 0.339 0.000 1.337 309 Y HN 0.377 nan 8.280 nan 0.000 0.515 310 R N 0.862 121.602 120.500 0.401 0.000 2.513 310 R HA 0.796 5.151 4.340 0.025 0.000 0.301 310 R C -1.721 174.772 176.300 0.321 0.000 0.968 310 R CA -0.519 55.748 56.100 0.278 0.000 0.872 310 R CB 1.186 31.590 30.300 0.174 0.000 1.177 310 R HN 0.737 nan 8.270 nan 0.000 0.444 311 A N 3.934 126.885 122.820 0.218 0.000 2.276 311 A HA 0.606 4.940 4.320 0.025 0.000 0.316 311 A C -0.980 176.659 177.584 0.091 0.000 1.229 311 A CA -0.611 51.525 52.037 0.164 0.000 0.851 311 A CB 1.143 20.206 19.000 0.106 0.000 1.165 311 A HN 0.482 nan 8.150 nan 0.000 0.513 312 V N 3.498 123.476 119.914 0.106 0.000 2.448 312 V HA 0.398 4.532 4.120 0.025 0.000 0.295 312 V C -0.364 175.707 176.094 -0.039 0.000 1.025 312 V CA -0.492 61.814 62.300 0.009 0.000 0.859 312 V CB 1.666 33.519 31.823 0.049 0.000 0.988 312 V HN 0.614 nan 8.190 nan 0.000 0.431 313 V N 4.956 124.779 119.914 -0.152 0.000 2.334 313 V HA 0.440 4.575 4.120 0.025 0.000 0.281 313 V C -0.122 175.923 176.094 -0.082 0.000 1.016 313 V CA -0.544 61.654 62.300 -0.170 0.000 0.832 313 V CB 1.370 32.947 31.823 -0.412 0.000 0.999 313 V HN 0.934 nan 8.190 nan 0.000 0.439 314 E N 3.920 124.124 120.200 0.006 0.000 2.171 314 E HA 0.546 4.911 4.350 0.025 0.000 0.271 314 E C -1.099 175.592 176.600 0.152 0.000 0.916 314 E CA -0.914 55.534 56.400 0.080 0.000 0.774 314 E CB 2.748 32.521 29.700 0.123 0.000 1.128 314 E HN 0.468 nan 8.360 nan 0.000 0.403 315 L N 4.210 125.505 121.223 0.120 0.000 2.272 315 L HA 0.432 4.787 4.340 0.025 0.000 0.289 315 L C -0.972 175.995 176.870 0.162 0.000 1.032 315 L CA 0.152 55.050 54.840 0.097 0.000 0.810 315 L CB 0.177 42.284 42.059 0.081 0.000 1.205 315 L HN 0.709 nan 8.230 nan 0.000 0.422 316 H N 0.232 119.342 119.070 0.065 0.000 2.928 316 H HA 0.790 5.361 4.556 0.025 0.000 0.285 316 H C -0.833 174.563 175.328 0.112 0.000 1.438 316 H CA -0.488 55.601 56.048 0.069 0.000 1.176 316 H CB 0.746 30.530 29.762 0.037 0.000 1.864 316 H HN 0.521 nan 8.280 nan 0.000 0.567 317 T N -2.335 112.360 114.554 0.235 0.000 2.944 317 T HA 0.571 4.936 4.350 0.025 0.000 0.284 317 T C 1.393 176.233 174.700 0.234 0.000 1.010 317 T CA -0.424 61.801 62.100 0.208 0.000 1.025 317 T CB 1.551 70.496 68.868 0.128 0.000 1.079 317 T HN 0.951 nan 8.240 nan 0.000 0.516 318 A N 1.141 124.065 122.820 0.175 0.000 2.024 318 A HA -0.104 4.231 4.320 0.025 0.000 0.220 318 A C 1.836 179.491 177.584 0.119 0.000 1.164 318 A CA 1.853 53.976 52.037 0.144 0.000 0.643 318 A CB -1.049 18.023 19.000 0.119 0.000 0.806 318 A HN 0.978 nan 8.150 nan 0.000 0.451 319 D N -2.273 118.173 120.400 0.076 0.000 2.349 319 D HA 0.264 4.919 4.640 0.025 0.000 0.224 319 D C 1.124 177.451 176.300 0.045 0.000 1.029 319 D CA 0.986 55.008 54.000 0.038 0.000 0.879 319 D CB -0.523 40.273 40.800 -0.007 0.000 0.906 319 D HN 0.824 nan 8.370 nan 0.000 0.528 320 G N -0.661 108.198 108.800 0.099 0.000 2.179 320 G HA2 -0.224 3.751 3.960 0.025 0.000 0.220 320 G HA3 -0.224 3.751 3.960 0.025 0.000 0.220 320 G C 0.248 175.168 174.900 0.035 0.000 0.990 320 G CA 0.108 45.232 45.100 0.039 0.000 0.646 320 G HN 0.416 nan 8.290 nan 0.000 0.517 321 T N 1.792 116.390 114.554 0.073 0.000 2.814 321 T HA 0.490 4.855 4.350 0.025 0.000 0.297 321 T C 0.370 175.132 174.700 0.104 0.000 0.956 321 T CA -0.154 61.979 62.100 0.055 0.000 1.123 321 T CB 1.886 70.773 68.868 0.031 0.000 0.902 321 T HN 0.552 nan 8.240 nan 0.000 0.528 322 L N 4.670 125.932 121.223 0.066 0.000 2.410 322 L HA 0.319 4.673 4.340 0.025 0.000 0.273 322 L C 0.758 177.680 176.870 0.087 0.000 1.152 322 L CA 0.418 55.313 54.840 0.091 0.000 0.855 322 L CB 0.103 42.185 42.059 0.038 0.000 1.129 322 L HN 0.704 nan 8.230 nan 0.000 0.463 323 I N 2.481 123.114 120.570 0.105 0.000 2.685 323 I HA 0.143 4.328 4.170 0.025 0.000 0.251 323 I C 0.223 176.366 176.117 0.044 0.000 1.102 323 I CA 0.408 61.750 61.300 0.070 0.000 1.442 323 I CB 0.201 38.248 38.000 0.077 0.000 1.194 323 I HN 0.818 nan 8.210 nan 0.000 0.448 324 E N 0.056 120.284 120.200 0.046 0.000 2.422 324 E HA 0.710 5.075 4.350 0.025 0.000 0.280 324 E C -1.480 175.146 176.600 0.043 0.000 1.091 324 E CA -1.090 55.328 56.400 0.031 0.000 0.849 324 E CB 1.644 31.329 29.700 -0.024 0.000 1.353 324 E HN -0.019 nan 8.360 nan 0.000 0.449 325 A N 1.023 123.891 122.820 0.079 0.000 2.449 325 A HA 0.706 5.041 4.320 0.025 0.000 0.302 325 A C -1.062 176.627 177.584 0.175 0.000 1.048 325 A CA -0.739 51.350 52.037 0.087 0.000 0.708 325 A CB 1.676 20.722 19.000 0.077 0.000 1.274 325 A HN 0.495 nan 8.150 nan 0.000 0.410 326 E N -0.280 119.952 120.200 0.054 0.000 2.339 326 E HA 0.844 5.209 4.350 0.025 0.000 0.262 326 E C -0.499 176.119 176.600 0.030 0.000 0.934 326 E CA -0.527 55.944 56.400 0.117 0.000 0.802 326 E CB 2.420 32.080 29.700 -0.066 0.000 1.275 326 E HN 1.186 nan 8.360 nan 0.000 0.427 327 A N -0.071 122.879 122.820 0.217 0.000 2.586 327 A HA 0.736 5.071 4.320 0.025 0.000 0.290 327 A C -1.166 176.601 177.584 0.305 0.000 1.086 327 A CA -0.391 51.710 52.037 0.108 0.000 0.665 327 A CB 0.782 19.788 19.000 0.010 0.000 1.279 327 A HN 0.873 nan 8.150 nan 0.000 0.423 328 C N -0.643 118.792 119.300 0.224 0.000 3.311 328 C HA 0.792 5.267 4.460 0.025 0.000 0.325 328 C C -1.401 173.692 174.990 0.172 0.000 1.352 328 C CA -0.947 58.221 59.018 0.248 0.000 1.308 328 C CB 1.030 28.947 27.740 0.295 0.000 1.619 328 C HN 0.824 nan 8.230 nan 0.000 0.469 329 D N 0.975 121.464 120.400 0.149 0.000 2.302 329 D HA 0.548 5.203 4.640 0.025 0.000 0.248 329 D C -0.343 176.020 176.300 0.104 0.000 1.094 329 D CA 0.193 54.279 54.000 0.144 0.000 0.897 329 D CB 1.856 42.744 40.800 0.146 0.000 1.200 329 D HN 0.548 nan 8.370 nan 0.000 0.429 330 V N 0.942 120.943 119.914 0.145 0.000 2.604 330 V HA 0.670 4.805 4.120 0.025 0.000 0.305 330 V C 0.545 176.709 176.094 0.117 0.000 1.043 330 V CA -0.828 61.503 62.300 0.051 0.000 0.888 330 V CB 2.083 33.922 31.823 0.026 0.000 0.995 330 V HN 0.614 nan 8.190 nan 0.000 0.429 331 G N 2.875 111.642 108.800 -0.054 0.000 2.487 331 G HA2 0.615 4.590 3.960 0.025 0.000 0.314 331 G HA3 0.615 4.590 3.960 0.025 0.000 0.314 331 G C -1.081 173.876 174.900 0.094 0.000 1.267 331 G CA -0.388 44.762 45.100 0.083 0.000 0.937 331 G HN 0.413 nan 8.290 nan 0.000 0.481 332 F N 4.044 124.186 119.950 0.320 0.000 2.434 332 F HA 0.451 4.992 4.527 0.024 0.000 0.358 332 F C 1.123 177.183 175.800 0.434 0.000 1.136 332 F CA -0.218 58.038 58.000 0.426 0.000 1.157 332 F CB 0.664 39.928 39.000 0.440 0.000 1.167 332 F HN 0.442 nan 8.300 nan 0.000 0.539 333 R N 2.991 123.779 120.500 0.480 0.000 2.629 333 R HA 0.417 4.772 4.340 0.025 0.000 0.266 333 R C -1.827 174.622 176.300 0.248 0.000 1.051 333 R CA -0.770 55.453 56.100 0.204 0.000 0.895 333 R CB 1.654 32.123 30.300 0.281 0.000 1.246 333 R HN 0.587 nan 8.270 nan 0.000 0.459 334 E N 2.291 122.535 120.200 0.072 0.000 2.187 334 E HA 0.479 4.844 4.350 0.025 0.000 0.268 334 E C -1.235 175.433 176.600 0.113 0.000 0.896 334 E CA -0.931 55.599 56.400 0.216 0.000 0.766 334 E CB 2.152 32.056 29.700 0.341 0.000 1.142 334 E HN 0.409 nan 8.360 nan 0.000 0.408 335 V N 5.366 125.343 119.914 0.105 0.000 2.448 335 V HA 0.581 4.716 4.120 0.025 0.000 0.295 335 V C -0.215 175.918 176.094 0.065 0.000 1.025 335 V CA -0.693 61.639 62.300 0.054 0.000 0.859 335 V CB 1.241 33.075 31.823 0.018 0.000 0.988 335 V HN 0.741 nan 8.190 nan 0.000 0.431 336 R N 4.093 124.628 120.500 0.057 0.000 2.710 336 R HA 0.747 5.102 4.340 0.025 0.000 0.270 336 R C -2.013 174.313 176.300 0.045 0.000 1.021 336 R CA -0.936 55.201 56.100 0.062 0.000 0.889 336 R CB 2.016 32.368 30.300 0.087 0.000 1.243 336 R HN 0.513 nan 8.270 nan 0.000 0.464 337 I N 1.198 121.795 120.570 0.045 0.000 2.354 337 I HA 0.351 4.536 4.170 0.025 0.000 0.292 337 I C -0.560 175.580 176.117 0.039 0.000 0.989 337 I CA -0.413 60.908 61.300 0.035 0.000 1.188 337 I CB 1.859 39.881 38.000 0.037 0.000 1.342 337 I HN 0.693 nan 8.210 nan 0.000 0.457 338 E N 5.413 125.632 120.200 0.032 0.000 2.278 338 E HA 0.255 4.620 4.350 0.025 0.000 0.272 338 E C -0.273 176.341 176.600 0.024 0.000 0.890 338 E CA -0.540 55.880 56.400 0.034 0.000 0.770 338 E CB 1.023 30.749 29.700 0.044 0.000 1.212 338 E HN 0.534 nan 8.360 nan 0.000 0.415 339 N N 3.212 121.926 118.700 0.024 0.000 2.725 339 N HA -0.239 4.515 4.740 0.025 0.000 0.249 339 N C 0.425 175.942 175.510 0.012 0.000 1.103 339 N CA 2.094 55.154 53.050 0.017 0.000 0.707 339 N CB -1.143 37.353 38.487 0.015 0.000 1.043 339 N HN 0.956 nan 8.380 nan 0.000 0.553 340 G N -2.286 106.522 108.800 0.013 0.000 2.176 340 G HA2 -0.271 3.704 3.960 0.025 0.000 0.253 340 G HA3 -0.271 3.704 3.960 0.025 0.000 0.253 340 G C -0.136 174.761 174.900 -0.005 0.000 0.979 340 G CA 0.452 45.556 45.100 0.006 0.000 0.641 340 G HN 0.468 nan 8.290 nan 0.000 0.530 341 L N 0.086 121.306 121.223 -0.005 0.000 2.365 341 L HA 0.688 5.043 4.340 0.025 0.000 0.273 341 L C 0.108 176.968 176.870 -0.017 0.000 1.000 341 L CA -1.323 53.505 54.840 -0.020 0.000 0.819 341 L CB 1.901 43.947 42.059 -0.021 0.000 1.284 341 L HN 0.090 nan 8.230 nan 0.000 0.418 342 L N 4.644 125.846 121.223 -0.036 0.000 2.315 342 L HA 0.410 4.765 4.340 0.025 0.000 0.283 342 L C -0.792 176.052 176.870 -0.044 0.000 1.089 342 L CA 0.477 55.295 54.840 -0.036 0.000 0.833 342 L CB 0.181 42.205 42.059 -0.059 0.000 1.170 342 L HN 0.392 nan 8.230 nan 0.000 0.442 343 L N 5.896 127.109 121.223 -0.016 0.000 2.334 343 L HA 0.563 4.918 4.340 0.025 0.000 0.273 343 L C -0.798 176.068 176.870 -0.006 0.000 1.013 343 L CA -0.862 53.974 54.840 -0.007 0.000 0.816 343 L CB 1.919 43.997 42.059 0.032 0.000 1.278 343 L HN 0.546 nan 8.230 nan 0.000 0.431 344 L N 3.426 124.653 121.223 0.006 0.000 2.349 344 L HA 0.492 4.847 4.340 0.025 0.000 0.278 344 L C -0.217 176.657 176.870 0.006 0.000 0.996 344 L CA -0.058 54.794 54.840 0.020 0.000 0.825 344 L CB 1.016 43.097 42.059 0.037 0.000 1.243 344 L HN 0.605 nan 8.230 nan 0.000 0.412 345 N N 4.046 122.596 118.700 -0.250 0.000 2.721 345 N HA -0.217 4.538 4.740 0.025 0.000 0.249 345 N C 0.909 176.016 175.510 -0.671 0.000 1.072 345 N CA 1.377 53.911 53.050 -0.859 0.000 0.710 345 N CB -1.296 36.651 38.487 -0.899 0.000 0.993 345 N HN 1.193 nan 8.380 nan 0.000 0.547 346 G N -1.884 106.818 108.800 -0.162 0.000 2.162 346 G HA2 -0.354 3.621 3.960 0.025 0.000 0.260 346 G HA3 -0.354 3.621 3.960 0.025 0.000 0.260 346 G C -0.144 174.783 174.900 0.044 0.000 0.976 346 G CA 0.923 46.067 45.100 0.073 0.000 0.655 346 G HN 0.437 nan 8.290 nan 0.000 0.533 347 K N 0.581 120.996 120.400 0.025 0.000 2.259 347 K HA 0.535 4.869 4.320 0.025 0.000 0.252 347 K C -2.867 173.702 176.600 -0.053 0.000 0.936 347 K CA -2.262 54.006 56.287 -0.032 0.000 0.810 347 K CB 2.793 35.204 32.500 -0.148 0.000 1.143 347 K HN 0.072 nan 8.250 nan 0.000 0.427 348 P HA 0.218 nan 4.420 nan 0.000 0.282 348 P C -0.125 177.105 177.300 -0.116 0.000 1.262 348 P CA -0.303 62.748 63.100 -0.082 0.000 0.773 348 P CB 0.642 32.299 31.700 -0.071 0.000 0.879 349 L N 3.304 124.454 121.223 -0.122 0.000 2.453 349 L HA 0.294 4.649 4.340 0.025 0.000 0.261 349 L C 0.660 177.445 176.870 -0.142 0.000 1.179 349 L CA -0.656 54.100 54.840 -0.140 0.000 0.813 349 L CB 0.369 42.305 42.059 -0.205 0.000 1.110 349 L HN 0.281 nan 8.230 nan 0.000 0.466 350 L N 3.623 124.779 121.223 -0.112 0.000 2.388 350 L HA 0.420 4.774 4.340 0.025 0.000 0.267 350 L C -0.524 176.294 176.870 -0.088 0.000 0.995 350 L CA -0.191 54.567 54.840 -0.137 0.000 0.864 350 L CB 0.830 42.835 42.059 -0.090 0.000 1.216 350 L HN 0.242 nan 8.230 nan 0.000 0.430 351 I N 4.868 125.321 120.570 -0.195 0.000 2.436 351 I HA 0.193 4.378 4.170 0.025 0.000 0.289 351 I C 0.546 176.625 176.117 -0.064 0.000 1.083 351 I CA 0.197 61.398 61.300 -0.166 0.000 1.372 351 I CB 0.484 38.253 38.000 -0.386 0.000 1.408 351 I HN 0.578 nan 8.210 nan 0.000 0.516 352 R N 4.817 125.361 120.500 0.073 0.000 2.937 352 R HA 0.442 4.797 4.340 0.025 0.000 0.264 352 R C 0.454 176.882 176.300 0.214 0.000 1.334 352 R CA -0.283 55.914 56.100 0.161 0.000 1.516 352 R CB 0.954 31.173 30.300 -0.134 0.000 1.187 352 R HN 0.785 nan 8.270 nan 0.000 0.609 353 G N 0.177 109.064 108.800 0.144 0.000 2.509 353 G HA2 0.592 4.567 3.960 0.025 0.000 0.328 353 G HA3 0.592 4.567 3.960 0.025 0.000 0.328 353 G C -1.289 173.890 174.900 0.466 0.000 1.194 353 G CA -0.456 44.694 45.100 0.082 0.000 0.967 353 G HN 0.233 nan 8.290 nan 0.000 0.488 354 V N 0.053 120.205 119.914 0.396 0.000 2.932 354 V HA 0.462 4.596 4.120 0.025 0.000 0.307 354 V C -1.153 175.060 176.094 0.199 0.000 1.147 354 V CA -1.200 61.224 62.300 0.208 0.000 0.951 354 V CB 2.201 33.843 31.823 -0.302 0.000 1.031 354 V HN 0.766 nan 8.190 nan 0.000 0.426 355 N N 4.238 122.968 118.700 0.050 0.000 2.518 355 N HA 0.461 5.216 4.740 0.025 0.000 0.283 355 N C -0.741 174.557 175.510 -0.354 0.000 1.119 355 N CA -0.333 52.606 53.050 -0.186 0.000 0.983 355 N CB 1.539 39.822 38.487 -0.340 0.000 1.139 355 N HN 0.642 nan 8.380 nan 0.000 0.465 356 R N 2.117 122.383 120.500 -0.390 0.000 2.500 356 R HA 0.195 4.549 4.340 0.025 0.000 0.299 356 R C -0.930 175.122 176.300 -0.413 0.000 1.038 356 R CA -0.550 55.347 56.100 -0.338 0.000 0.903 356 R CB 0.662 30.757 30.300 -0.342 0.000 1.177 356 R HN 0.595 nan 8.270 nan 0.000 0.455 357 H N 2.148 121.069 119.070 -0.248 0.000 2.607 357 H HA 0.090 4.662 4.556 0.025 0.000 0.367 357 H C -0.449 174.883 175.328 0.006 0.000 1.181 357 H CA 0.289 56.290 56.048 -0.077 0.000 1.402 357 H CB 1.293 31.080 29.762 0.043 0.000 1.474 357 H HN 0.551 nan 8.280 nan 0.000 0.596 358 E N 1.884 122.274 120.200 0.316 0.000 1.996 358 E HA 0.097 4.462 4.350 0.025 0.000 0.280 358 E C -0.719 176.039 176.600 0.263 0.000 1.092 358 E CA -0.023 56.490 56.400 0.187 0.000 0.862 358 E CB 0.262 30.093 29.700 0.218 0.000 1.066 358 E HN 0.395 nan 8.360 nan 0.000 0.396 359 H N 1.850 120.987 119.070 0.112 0.000 2.856 359 H HA 0.241 4.812 4.556 0.025 0.000 0.355 359 H C -1.679 173.714 175.328 0.107 0.000 1.079 359 H CA -0.668 55.443 56.048 0.105 0.000 1.240 359 H CB 1.026 30.842 29.762 0.089 0.000 1.701 359 H HN 0.408 nan 8.280 nan 0.000 0.527 360 H N 6.203 124.875 119.070 -0.664 0.000 2.589 360 H HA 0.235 4.805 4.556 0.025 0.000 0.351 360 H C -2.306 172.646 175.328 -0.627 0.000 1.074 360 H CA -2.490 53.307 56.048 -0.418 0.000 1.203 360 H CB 2.714 32.389 29.762 -0.145 0.000 1.558 360 H HN 0.536 nan 8.280 nan 0.000 0.522 361 P HA -0.067 nan 4.420 nan 0.000 0.222 361 P C 1.143 178.337 177.300 -0.177 0.000 1.147 361 P CA 0.701 63.624 63.100 -0.294 0.000 0.790 361 P CB 0.871 32.438 31.700 -0.223 0.000 0.780 362 L N -2.025 119.234 121.223 0.061 0.000 2.445 362 L HA 0.138 4.493 4.340 0.025 0.000 0.207 362 L C 2.146 178.819 176.870 -0.328 0.000 1.053 362 L CA 0.719 55.453 54.840 -0.176 0.000 0.841 362 L CB -0.517 41.325 42.059 -0.361 0.000 1.074 362 L HN -0.052 nan 8.230 nan 0.000 0.479 363 H N -0.846 118.221 119.070 -0.005 0.000 2.539 363 H HA 0.290 4.861 4.556 0.025 0.000 0.269 363 H C 1.386 176.614 175.328 -0.167 0.000 0.980 363 H CA 0.277 56.207 56.048 -0.197 0.000 1.152 363 H CB 0.385 29.913 29.762 -0.390 0.000 1.407 363 H HN 0.374 nan 8.280 nan 0.000 0.564 364 G N 1.380 110.106 108.800 -0.123 0.000 2.559 364 G HA2 -0.389 3.586 3.960 0.025 0.000 0.282 364 G HA3 -0.389 3.586 3.960 0.025 0.000 0.282 364 G C 0.697 175.521 174.900 -0.127 0.000 1.177 364 G CA 0.385 45.360 45.100 -0.209 0.000 0.960 364 G HN 0.462 nan 8.290 nan 0.000 0.540 365 Q N -0.062 119.689 119.800 -0.081 0.000 2.198 365 Q HA 0.483 4.838 4.340 0.025 0.000 0.209 365 Q C 0.285 176.386 176.000 0.168 0.000 0.848 365 Q CA -0.109 55.690 55.803 -0.006 0.000 0.974 365 Q CB 1.481 30.110 28.738 -0.181 0.000 1.115 365 Q HN 0.363 nan 8.270 nan 0.000 0.494 366 V N 2.242 122.229 119.914 0.122 0.000 2.488 366 V HA 0.165 4.300 4.120 0.025 0.000 0.277 366 V C 0.150 176.293 176.094 0.082 0.000 1.046 366 V CA 0.165 62.538 62.300 0.122 0.000 0.986 366 V CB 0.891 32.717 31.823 0.006 0.000 0.989 366 V HN 0.328 nan 8.190 nan 0.000 0.475 367 M N 5.537 125.194 119.600 0.094 0.000 2.363 367 M HA 0.509 5.004 4.480 0.025 0.000 0.343 367 M C -0.423 175.840 176.300 -0.062 0.000 1.165 367 M CA -0.440 54.872 55.300 0.020 0.000 1.046 367 M CB 1.787 34.370 32.600 -0.028 0.000 1.648 367 M HN 0.810 nan 8.290 nan 0.000 0.452 368 D N 0.394 120.759 120.400 -0.058 0.000 2.547 368 D HA 0.217 4.871 4.640 0.025 0.000 0.231 368 D C 0.077 176.355 176.300 -0.037 0.000 1.099 368 D CA -0.456 53.510 54.000 -0.056 0.000 0.901 368 D CB 1.959 42.743 40.800 -0.025 0.000 1.478 368 D HN 0.727 nan 8.370 nan 0.000 0.471 369 E N -0.309 119.882 120.200 -0.016 0.000 2.110 369 E HA -0.233 4.131 4.350 0.025 0.000 0.193 369 E C 1.334 177.975 176.600 0.068 0.000 0.988 369 E CA 1.274 57.691 56.400 0.028 0.000 0.804 369 E CB 0.211 29.942 29.700 0.052 0.000 0.745 369 E HN 0.257 nan 8.360 nan 0.000 0.458 370 Q N 0.085 119.927 119.800 0.070 0.000 2.096 370 Q HA -0.121 4.234 4.340 0.025 0.000 0.204 370 Q C 2.239 178.302 176.000 0.104 0.000 0.982 370 Q CA 2.032 57.888 55.803 0.088 0.000 0.850 370 Q CB -0.858 27.933 28.738 0.088 0.000 0.901 370 Q HN 0.302 nan 8.270 nan 0.000 0.422 371 T N 0.831 115.456 114.554 0.118 0.000 2.777 371 T HA -0.082 4.283 4.350 0.025 0.000 0.266 371 T C 1.928 176.710 174.700 0.138 0.000 1.040 371 T CA 1.253 63.439 62.100 0.144 0.000 1.141 371 T CB -0.155 68.828 68.868 0.191 0.000 0.868 371 T HN 0.209 nan 8.240 nan 0.000 0.444 372 M N 0.594 120.273 119.600 0.132 0.000 2.080 372 M HA -0.102 4.393 4.480 0.025 0.000 0.260 372 M C 2.469 178.880 176.300 0.186 0.000 1.068 372 M CA 1.337 56.777 55.300 0.233 0.000 1.109 372 M CB -0.634 32.127 32.600 0.269 0.000 1.342 372 M HN 0.095 nan 8.290 nan 0.000 0.405 373 V N 0.226 120.197 119.914 0.094 0.000 2.343 373 V HA -0.313 3.822 4.120 0.025 0.000 0.247 373 V C 2.323 178.401 176.094 -0.027 0.000 1.051 373 V CA 2.124 64.417 62.300 -0.011 0.000 1.036 373 V CB -0.902 30.954 31.823 0.056 0.000 0.654 373 V HN 0.564 nan 8.190 nan 0.000 0.451 374 Q N -0.313 119.524 119.800 0.061 0.000 2.096 374 Q HA -0.280 4.074 4.340 0.025 0.000 0.204 374 Q C 1.985 178.059 176.000 0.123 0.000 0.982 374 Q CA 2.236 58.094 55.803 0.092 0.000 0.850 374 Q CB -0.134 28.678 28.738 0.123 0.000 0.901 374 Q HN 0.628 nan 8.270 nan 0.000 0.422 375 D N 0.251 120.737 120.400 0.144 0.000 2.097 375 D HA -0.136 4.519 4.640 0.025 0.000 0.195 375 D C 1.914 178.145 176.300 -0.114 0.000 0.989 375 D CA 1.127 55.199 54.000 0.120 0.000 0.827 375 D CB -0.224 40.620 40.800 0.074 0.000 0.966 375 D HN 0.336 nan 8.370 nan 0.000 0.456 376 I N 0.559 121.062 120.570 -0.112 0.000 2.208 376 I HA -0.255 3.930 4.170 0.025 0.000 0.245 376 I C 2.440 178.403 176.117 -0.257 0.000 1.097 376 I CA 0.723 61.852 61.300 -0.285 0.000 1.363 376 I CB -0.148 37.557 38.000 -0.491 0.000 1.051 376 I HN 0.019 nan 8.210 nan 0.000 0.413 377 L N 0.036 121.143 121.223 -0.194 0.000 2.017 377 L HA -0.237 4.118 4.340 0.025 0.000 0.208 377 L C 2.567 179.494 176.870 0.096 0.000 1.073 377 L CA 1.448 56.263 54.840 -0.042 0.000 0.745 377 L CB -0.507 41.550 42.059 -0.003 0.000 0.894 377 L HN 0.280 nan 8.230 nan 0.000 0.432 378 L N -1.077 120.232 121.223 0.144 0.000 2.083 378 L HA -0.255 4.099 4.340 0.025 0.000 0.209 378 L C 2.653 179.702 176.870 0.298 0.000 1.083 378 L CA 1.238 56.254 54.840 0.293 0.000 0.752 378 L CB -0.269 42.089 42.059 0.499 0.000 0.899 378 L HN 0.308 nan 8.230 nan 0.000 0.433 379 M N -0.652 118.945 119.600 -0.006 0.000 2.065 379 M HA -0.257 4.238 4.480 0.025 0.000 0.259 379 M C 2.330 178.738 176.300 0.180 0.000 1.071 379 M CA 1.898 57.144 55.300 -0.091 0.000 1.109 379 M CB -0.346 31.956 32.600 -0.497 0.000 1.313 379 M HN 0.056 nan 8.290 nan 0.000 0.408 380 K N -0.037 120.367 120.400 0.006 0.000 2.063 380 K HA -0.225 4.110 4.320 0.025 0.000 0.208 380 K C 1.968 178.593 176.600 0.043 0.000 1.048 380 K CA 1.570 57.770 56.287 -0.144 0.000 0.928 380 K CB -0.291 31.992 32.500 -0.362 0.000 0.713 380 K HN 0.482 nan 8.250 nan 0.000 0.442 381 Q N 0.217 120.200 119.800 0.305 0.000 2.291 381 Q HA -0.046 4.308 4.340 0.025 0.000 0.205 381 Q C 0.876 177.179 176.000 0.506 0.000 0.970 381 Q CA 0.730 56.806 55.803 0.454 0.000 0.876 381 Q CB 0.124 29.092 28.738 0.383 0.000 0.935 381 Q HN 0.293 nan 8.270 nan 0.000 0.455 382 N N 0.696 119.646 118.700 0.416 0.000 2.279 382 N HA 0.041 4.796 4.740 0.025 0.000 0.226 382 N C -0.601 175.006 175.510 0.163 0.000 1.126 382 N CA 0.034 53.319 53.050 0.392 0.000 0.846 382 N CB 0.637 39.434 38.487 0.518 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.150 118.961 118.700 0.185 0.000 2.776 383 N HA -0.186 4.569 4.740 0.025 0.000 0.250 383 N C -0.845 174.578 175.510 -0.145 0.000 1.112 383 N CA 0.804 53.917 53.050 0.105 0.000 0.733 383 N CB -1.769 36.718 38.487 -0.001 0.000 1.097 383 N HN 0.255 nan 8.380 nan 0.000 0.558 384 F N 1.036 121.014 119.950 0.047 0.000 2.375 384 F HA 0.320 4.861 4.527 0.024 0.000 0.333 384 F C 1.743 177.539 175.800 -0.008 0.000 1.104 384 F CA -0.551 57.454 58.000 0.009 0.000 1.149 384 F CB 0.831 39.810 39.000 -0.036 0.000 1.190 384 F HN 0.048 nan 8.300 nan 0.000 0.533 385 N N 0.560 119.370 118.700 0.184 0.000 2.160 385 N HA 0.459 5.214 4.740 0.025 0.000 0.226 385 N C -0.895 174.657 175.510 0.070 0.000 1.256 385 N CA -0.042 53.042 53.050 0.056 0.000 0.890 385 N CB 0.768 39.328 38.487 0.122 0.000 1.116 385 N HN 0.489 nan 8.380 nan 0.000 0.517 386 A N -0.620 122.310 122.820 0.184 0.000 2.612 386 A HA 0.750 5.085 4.320 0.025 0.000 0.293 386 A C -1.829 175.962 177.584 0.345 0.000 1.075 386 A CA -0.700 51.507 52.037 0.283 0.000 0.680 386 A CB 1.731 20.912 19.000 0.301 0.000 1.279 386 A HN 0.213 nan 8.150 nan 0.000 0.411 387 V N 1.031 121.212 119.914 0.445 0.000 2.841 387 V HA 0.806 4.941 4.120 0.025 0.000 0.310 387 V C -0.595 175.666 176.094 0.278 0.000 1.090 387 V CA -0.696 61.827 62.300 0.372 0.000 0.930 387 V CB 1.875 33.841 31.823 0.239 0.000 1.014 387 V HN 1.122 nan 8.190 nan 0.000 0.425 388 R N 4.871 125.371 120.500 0.001 0.000 2.393 388 R HA 0.477 4.832 4.340 0.025 0.000 0.310 388 R C -0.724 175.436 176.300 -0.233 0.000 0.968 388 R CA -0.481 55.415 56.100 -0.339 0.000 0.867 388 R CB 1.176 31.043 30.300 -0.722 0.000 1.124 388 R HN 0.796 nan 8.270 nan 0.000 0.450 389 C N 4.408 123.600 119.300 -0.180 0.000 3.183 389 C HA 0.100 4.575 4.460 0.025 0.000 0.545 389 C C 0.540 175.245 174.990 -0.476 0.000 1.044 389 C CA -0.391 58.470 59.018 -0.262 0.000 1.117 389 C CB -2.117 25.590 27.740 -0.054 0.000 1.393 389 C HN 0.722 nan 8.230 nan 0.000 0.611 390 S N 1.566 116.853 115.700 -0.690 0.000 2.466 390 S HA 0.145 4.630 4.470 0.025 0.000 0.286 390 S C -0.135 173.548 174.600 -1.528 0.000 1.221 390 S CA 0.226 57.731 58.200 -1.158 0.000 1.091 390 S CB 0.013 62.522 63.200 -1.150 0.000 0.956 390 S HN 0.734 nan 8.310 nan 0.000 0.501 391 H N 3.808 122.268 119.070 -1.017 0.000 2.439 391 H HA 0.325 4.896 4.556 0.024 0.000 0.228 391 H C -1.177 174.011 175.328 -0.233 0.000 1.423 391 H CA -0.362 55.469 56.048 -0.361 0.000 1.386 391 H CB -0.087 29.673 29.762 -0.004 0.000 1.641 391 H HN 0.889 nan 8.280 nan 0.000 0.508 392 Y N -2.536 117.868 120.300 0.173 0.000 2.765 392 Y HA 0.379 4.944 4.550 0.025 0.000 0.350 392 Y C -3.315 172.696 175.900 0.185 0.000 1.196 392 Y CA -2.950 55.263 58.100 0.189 0.000 1.119 392 Y CB 0.026 38.602 38.460 0.194 0.000 1.368 392 Y HN -0.048 nan 8.280 nan 0.000 0.463 393 P HA 0.184 nan 4.420 nan 0.000 0.271 393 P C -0.649 176.945 177.300 0.489 0.000 1.216 393 P CA 0.042 63.397 63.100 0.426 0.000 0.776 393 P CB 0.592 32.474 31.700 0.303 0.000 0.881 394 N N 0.552 119.562 118.700 0.516 0.000 2.458 394 N HA 0.085 4.840 4.740 0.025 0.000 0.271 394 N C 0.139 175.904 175.510 0.425 0.000 1.210 394 N CA -0.569 52.694 53.050 0.355 0.000 0.978 394 N CB 0.327 38.804 38.487 -0.017 0.000 1.206 394 N HN 0.604 nan 8.380 nan 0.000 0.536 395 H N 2.060 121.237 119.070 0.178 0.000 3.038 395 H HA -0.017 4.554 4.556 0.025 0.000 0.338 395 H C -1.639 173.862 175.328 0.289 0.000 1.041 395 H CA -0.713 55.426 56.048 0.151 0.000 1.394 395 H CB 0.937 30.751 29.762 0.087 0.000 1.357 395 H HN 0.429 nan 8.280 nan 0.000 0.600 396 P HA -0.202 nan 4.420 nan 0.000 0.216 396 P C 1.842 179.470 177.300 0.547 0.000 1.150 396 P CA 0.769 64.140 63.100 0.452 0.000 0.843 396 P CB 0.193 32.005 31.700 0.188 0.000 0.787 397 L N -1.177 120.435 121.223 0.648 0.000 2.275 397 L HA -0.035 4.320 4.340 0.025 0.000 0.215 397 L C 2.354 179.383 176.870 0.265 0.000 1.119 397 L CA 1.292 56.353 54.840 0.368 0.000 0.790 397 L CB -1.322 40.882 42.059 0.242 0.000 0.919 397 L HN 0.030 nan 8.230 nan 0.000 0.443 398 W N -0.551 120.770 121.300 0.034 0.000 2.321 398 W HA -0.341 4.333 4.660 0.024 0.000 0.306 398 W C 1.994 178.359 176.519 -0.257 0.000 1.217 398 W CA 1.876 59.110 57.345 -0.185 0.000 1.257 398 W CB -0.329 28.918 29.460 -0.355 0.000 1.145 398 W HN 0.267 nan 8.180 nan 0.000 0.509 399 Y N 0.724 120.968 120.300 -0.093 0.000 2.200 399 Y HA -0.214 4.351 4.550 0.024 0.000 0.290 399 Y C 2.868 178.535 175.900 -0.389 0.000 1.137 399 Y CA 2.148 59.970 58.100 -0.463 0.000 1.163 399 Y CB -1.292 36.571 38.460 -0.994 0.000 0.988 399 Y HN -0.225 nan 8.280 nan 0.000 0.518 400 T N 0.813 115.363 114.554 -0.007 0.000 2.665 400 T HA -0.204 4.160 4.350 0.025 0.000 0.268 400 T C 1.986 176.717 174.700 0.051 0.000 1.035 400 T CA 1.666 63.843 62.100 0.127 0.000 1.151 400 T CB -0.591 68.405 68.868 0.214 0.000 0.862 400 T HN 0.243 nan 8.240 nan 0.000 0.438 401 L N 0.215 121.425 121.223 -0.021 0.000 2.093 401 L HA -0.085 4.270 4.340 0.025 0.000 0.208 401 L C 2.897 179.737 176.870 -0.049 0.000 1.085 401 L CA 0.883 55.730 54.840 0.012 0.000 0.755 401 L CB -0.703 41.333 42.059 -0.037 0.000 0.904 401 L HN 0.388 nan 8.230 nan 0.000 0.435 402 C N -0.220 118.890 119.300 -0.317 0.000 2.440 402 C HA -0.131 4.343 4.460 0.025 0.000 0.278 402 C C 2.405 177.439 174.990 0.074 0.000 1.295 402 C CA 0.344 59.214 59.018 -0.247 0.000 1.738 402 C CB -0.766 26.721 27.740 -0.421 0.000 1.987 402 C HN 0.533 nan 8.230 nan 0.000 0.492 403 D N 0.504 120.949 120.400 0.075 0.000 2.117 403 D HA -0.099 4.556 4.640 0.025 0.000 0.197 403 D C 2.410 178.919 176.300 0.349 0.000 0.987 403 D CA 1.231 55.356 54.000 0.208 0.000 0.829 403 D CB -0.313 40.571 40.800 0.140 0.000 0.961 403 D HN 0.532 nan 8.370 nan 0.000 0.460 404 R N -1.164 119.432 120.500 0.159 0.000 2.112 404 R HA 0.046 4.401 4.340 0.025 0.000 0.216 404 R C 2.048 178.305 176.300 -0.070 0.000 1.080 404 R CA 0.419 56.545 56.100 0.043 0.000 0.996 404 R CB -0.103 30.152 30.300 -0.074 0.000 0.902 404 R HN 0.268 nan 8.270 nan 0.000 0.449 405 Y N 0.069 120.380 120.300 0.018 0.000 2.448 405 Y HA 0.166 4.731 4.550 0.024 0.000 0.289 405 Y C 0.933 176.764 175.900 -0.115 0.000 1.114 405 Y CA 0.753 58.837 58.100 -0.027 0.000 1.235 405 Y CB 0.754 39.169 38.460 -0.076 0.000 1.045 405 Y HN 0.225 nan 8.280 nan 0.000 0.554 406 G N 1.245 110.082 108.800 0.062 0.000 2.897 406 G HA2 -0.146 3.828 3.960 0.025 0.000 0.436 406 G HA3 -0.146 3.828 3.960 0.025 0.000 0.436 406 G C -1.214 173.545 174.900 -0.236 0.000 1.079 406 G CA -0.579 44.436 45.100 -0.142 0.000 1.090 406 G HN 0.159 nan 8.290 nan 0.000 0.480 407 L N 1.215 122.370 121.223 -0.113 0.000 2.455 407 L HA 0.495 4.850 4.340 0.025 0.000 0.264 407 L C -0.044 176.837 176.870 0.018 0.000 0.968 407 L CA -1.258 53.477 54.840 -0.175 0.000 0.827 407 L CB 2.071 44.044 42.059 -0.143 0.000 1.317 407 L HN 0.499 nan 8.230 nan 0.000 0.407 408 Y N 1.852 122.283 120.300 0.218 0.000 2.319 408 Y HA 0.401 4.967 4.550 0.027 0.000 0.328 408 Y C 0.172 176.204 175.900 0.219 0.000 1.133 408 Y CA -0.761 57.503 58.100 0.273 0.000 1.265 408 Y CB 1.401 39.998 38.460 0.227 0.000 1.218 408 Y HN 0.158 nan 8.280 nan 0.000 0.508 409 V N 4.296 124.403 119.914 0.321 0.000 2.604 409 V HA 0.313 4.447 4.120 0.025 0.000 0.305 409 V C -0.569 175.609 176.094 0.140 0.000 1.043 409 V CA -1.019 61.409 62.300 0.214 0.000 0.888 409 V CB 1.917 33.826 31.823 0.142 0.000 0.995 409 V HN 0.447 nan 8.190 nan 0.000 0.429 410 V N 3.114 123.079 119.914 0.085 0.000 2.333 410 V HA 0.317 4.452 4.120 0.025 0.000 0.274 410 V C -0.304 175.826 176.094 0.060 0.000 1.028 410 V CA -0.345 61.953 62.300 -0.004 0.000 0.851 410 V CB 1.369 33.085 31.823 -0.178 0.000 1.000 410 V HN 0.887 nan 8.190 nan 0.000 0.456 411 D N 4.212 124.686 120.400 0.123 0.000 2.280 411 D HA 0.310 4.965 4.640 0.025 0.000 0.243 411 D C -0.225 176.271 176.300 0.327 0.000 1.129 411 D CA -0.069 54.105 54.000 0.289 0.000 0.848 411 D CB 1.244 42.255 40.800 0.353 0.000 1.107 411 D HN 0.688 nan 8.370 nan 0.000 0.471 412 E N 2.061 122.419 120.200 0.262 0.000 2.199 412 E HA 0.611 4.976 4.350 0.025 0.000 0.265 412 E C -0.990 175.755 176.600 0.242 0.000 0.882 412 E CA -1.048 55.494 56.400 0.236 0.000 0.759 412 E CB 1.305 31.098 29.700 0.154 0.000 1.148 412 E HN 0.468 nan 8.360 nan 0.000 0.412 413 A N 3.943 126.899 122.820 0.227 0.000 2.483 413 A HA 0.032 4.366 4.320 0.025 0.000 0.238 413 A C 0.363 178.077 177.584 0.217 0.000 1.070 413 A CA -0.164 51.984 52.037 0.185 0.000 0.770 413 A CB 0.109 19.183 19.000 0.123 0.000 1.008 413 A HN 0.716 nan 8.150 nan 0.000 0.497 414 N N 1.263 120.098 118.700 0.225 0.000 2.971 414 N HA 0.243 4.998 4.740 0.025 0.000 0.294 414 N C -1.015 174.628 175.510 0.221 0.000 1.210 414 N CA 0.261 53.478 53.050 0.278 0.000 1.157 414 N CB -0.856 37.794 38.487 0.271 0.000 1.450 414 N HN 0.476 nan 8.380 nan 0.000 0.527 415 I N 0.960 121.656 120.570 0.209 0.000 2.497 415 I HA 0.276 4.461 4.170 0.025 0.000 0.284 415 I C -0.606 175.616 176.117 0.175 0.000 1.060 415 I CA -0.617 60.787 61.300 0.174 0.000 1.071 415 I CB 1.780 39.858 38.000 0.129 0.000 1.216 415 I HN 0.249 nan 8.210 nan 0.000 0.442 416 E N 4.334 124.626 120.200 0.154 0.000 2.287 416 E HA 0.381 4.746 4.350 0.025 0.000 0.274 416 E C -0.699 175.946 176.600 0.074 0.000 0.896 416 E CA -0.479 55.977 56.400 0.094 0.000 0.788 416 E CB 1.667 31.394 29.700 0.045 0.000 1.244 416 E HN 0.594 nan 8.360 nan 0.000 0.408 417 T N 1.401 115.988 114.554 0.055 0.000 3.448 417 T HA 0.156 4.521 4.350 0.025 0.000 0.271 417 T C 0.782 175.473 174.700 -0.015 0.000 1.002 417 T CA -0.569 61.587 62.100 0.094 0.000 0.995 417 T CB -0.037 68.884 68.868 0.089 0.000 1.153 417 T HN 0.356 nan 8.240 nan 0.000 0.510 418 N N 2.427 121.038 118.700 -0.148 0.000 2.137 418 N HA -0.069 4.686 4.740 0.025 0.000 0.190 418 N C 1.983 177.369 175.510 -0.207 0.000 1.017 418 N CA 1.882 54.820 53.050 -0.188 0.000 0.859 418 N CB -0.711 37.622 38.487 -0.257 0.000 1.002 418 N HN 0.700 nan 8.380 nan 0.000 0.428 419 G N -0.431 108.154 108.800 -0.358 0.000 2.679 419 G HA2 -0.032 3.943 3.960 0.025 0.000 0.212 419 G HA3 -0.032 3.943 3.960 0.025 0.000 0.212 419 G C 0.718 175.726 174.900 0.181 0.000 1.137 419 G CA -0.070 44.892 45.100 -0.230 0.000 0.787 419 G HN 0.140 nan 8.290 nan 0.000 0.534 420 M N 0.324 120.062 119.600 0.231 0.000 2.228 420 M HA 0.354 4.849 4.480 0.025 0.000 0.326 420 M C -0.384 175.932 176.300 0.027 0.000 1.122 420 M CA -0.477 54.906 55.300 0.138 0.000 1.161 420 M CB 1.422 34.055 32.600 0.056 0.000 1.437 420 M HN -0.216 nan 8.290 nan 0.000 0.465 421 V N 3.915 123.829 119.914 0.000 0.000 2.447 421 V HA 0.374 4.508 4.120 0.025 0.000 0.292 421 V C -1.936 174.141 176.094 -0.028 0.000 1.021 421 V CA -1.264 61.023 62.300 -0.022 0.000 0.850 421 V CB 1.781 33.589 31.823 -0.024 0.000 1.005 421 V HN 0.740 nan 8.190 nan 0.000 0.426 422 P HA 0.255 nan 4.420 nan 0.000 0.277 422 P C 1.034 178.321 177.300 -0.021 0.000 1.276 422 P CA -0.529 62.555 63.100 -0.027 0.000 0.788 422 P CB 1.049 32.738 31.700 -0.019 0.000 1.114 423 M N 0.532 120.120 119.600 -0.019 0.000 2.202 423 M HA -0.175 4.320 4.480 0.025 0.000 0.262 423 M C 1.195 177.508 176.300 0.022 0.000 1.063 423 M CA 1.935 57.231 55.300 -0.006 0.000 1.097 423 M CB -0.486 32.103 32.600 -0.020 0.000 1.382 423 M HN 0.377 nan 8.290 nan 0.000 0.413 424 N N -0.085 118.633 118.700 0.030 0.000 2.313 424 N HA -0.068 4.687 4.740 0.025 0.000 0.207 424 N C 1.114 176.606 175.510 -0.030 0.000 1.141 424 N CA 0.133 53.206 53.050 0.039 0.000 0.830 424 N CB -0.742 37.788 38.487 0.072 0.000 1.008 424 N HN 0.366 nan 8.380 nan 0.000 0.481 425 R N 0.470 120.935 120.500 -0.057 0.000 2.103 425 R HA -0.041 4.314 4.340 0.025 0.000 0.242 425 R C 1.383 177.588 176.300 -0.158 0.000 1.142 425 R CA 1.456 57.500 56.100 -0.092 0.000 0.960 425 R CB -0.073 30.169 30.300 -0.098 0.000 0.858 425 R HN 0.303 nan 8.270 nan 0.000 0.439 426 L N -0.550 120.519 121.223 -0.258 0.000 2.202 426 L HA -0.000 4.355 4.340 0.025 0.000 0.205 426 L C 2.504 179.250 176.870 -0.206 0.000 1.083 426 L CA 1.272 55.844 54.840 -0.447 0.000 0.790 426 L CB -0.511 41.018 42.059 -0.883 0.000 0.942 426 L HN 0.368 nan 8.230 nan 0.000 0.452 427 T N -4.266 110.196 114.554 -0.153 0.000 3.007 427 T HA -0.164 4.201 4.350 0.025 0.000 0.270 427 T C 1.249 175.865 174.700 -0.140 0.000 1.107 427 T CA 1.211 63.207 62.100 -0.173 0.000 1.118 427 T CB -0.203 68.534 68.868 -0.219 0.000 0.889 427 T HN 0.110 nan 8.240 nan 0.000 0.506 428 D N 1.055 121.406 120.400 -0.081 0.000 2.363 428 D HA 0.127 4.782 4.640 0.025 0.000 0.214 428 D C -0.331 175.951 176.300 -0.030 0.000 1.093 428 D CA -0.272 53.689 54.000 -0.065 0.000 0.837 428 D CB -0.027 40.743 40.800 -0.049 0.000 0.948 428 D HN 0.327 nan 8.370 nan 0.000 0.507 429 D N -0.173 120.226 120.400 -0.001 0.000 2.233 429 D HA 0.143 4.798 4.640 0.025 0.000 0.240 429 D C -1.724 174.623 176.300 0.079 0.000 1.074 429 D CA -2.175 51.859 54.000 0.056 0.000 0.838 429 D CB 2.216 43.094 40.800 0.132 0.000 1.124 429 D HN -0.050 nan 8.370 nan 0.000 0.475 430 P HA -0.059 nan 4.420 nan 0.000 0.223 430 P C 0.862 178.159 177.300 -0.006 0.000 1.151 430 P CA 0.600 63.706 63.100 0.010 0.000 0.787 430 P CB 0.275 31.970 31.700 -0.008 0.000 0.788 431 R N -1.609 118.891 120.500 0.001 0.000 2.285 431 R HA -0.057 4.298 4.340 0.025 0.000 0.213 431 R C 1.311 177.457 176.300 -0.256 0.000 1.068 431 R CA 0.998 57.027 56.100 -0.119 0.000 1.004 431 R CB -0.677 29.537 30.300 -0.144 0.000 0.873 431 R HN 0.323 nan 8.270 nan 0.000 0.467 432 W N 0.171 121.416 121.300 -0.092 0.000 3.220 432 W HA 0.170 4.844 4.660 0.024 0.000 0.328 432 W C 1.494 177.953 176.519 -0.099 0.000 1.205 432 W CA -0.582 56.708 57.345 -0.092 0.000 1.773 432 W CB 0.103 29.507 29.460 -0.093 0.000 1.086 432 W HN -0.001 nan 8.180 nan 0.000 0.622 433 L N 2.126 123.365 121.223 0.027 0.000 2.046 433 L HA -0.010 4.345 4.340 0.025 0.000 0.208 433 L C -0.726 176.105 176.870 -0.066 0.000 1.077 433 L CA 2.191 57.016 54.840 -0.027 0.000 0.747 433 L CB -1.594 40.441 42.059 -0.040 0.000 0.896 433 L HN -0.245 nan 8.230 nan 0.000 0.432 434 P HA -0.140 nan 4.420 nan 0.000 0.214 434 P C 1.639 178.879 177.300 -0.099 0.000 1.162 434 P CA 2.175 65.208 63.100 -0.111 0.000 0.879 434 P CB -0.238 31.387 31.700 -0.125 0.000 0.786 435 A N -0.931 121.841 122.820 -0.081 0.000 1.908 435 A HA -0.208 4.126 4.320 0.025 0.000 0.218 435 A C 2.264 179.857 177.584 0.015 0.000 1.181 435 A CA 2.061 54.085 52.037 -0.023 0.000 0.627 435 A CB -1.527 17.479 19.000 0.009 0.000 0.818 435 A HN 0.104 nan 8.150 nan 0.000 0.445 436 M N 0.198 119.817 119.600 0.032 0.000 2.132 436 M HA -0.149 4.346 4.480 0.025 0.000 0.263 436 M C 2.561 178.806 176.300 -0.091 0.000 1.065 436 M CA 1.745 57.043 55.300 -0.004 0.000 1.122 436 M CB -0.372 32.205 32.600 -0.037 0.000 1.365 436 M HN 0.678 nan 8.290 nan 0.000 0.411 437 S N 0.377 115.995 115.700 -0.137 0.000 2.370 437 S HA -0.189 4.296 4.470 0.025 0.000 0.226 437 S C 1.584 176.013 174.600 -0.286 0.000 1.033 437 S CA 1.505 59.557 58.200 -0.247 0.000 1.011 437 S CB -0.626 62.406 63.200 -0.279 0.000 0.852 437 S HN 0.531 nan 8.310 nan 0.000 0.457 438 E N 0.947 121.027 120.200 -0.199 0.000 2.204 438 E HA -0.067 4.298 4.350 0.025 0.000 0.195 438 E C 2.383 178.891 176.600 -0.154 0.000 0.990 438 E CA 0.787 57.074 56.400 -0.189 0.000 0.821 438 E CB -0.130 29.500 29.700 -0.118 0.000 0.750 438 E HN 0.578 nan 8.360 nan 0.000 0.477 439 R N 0.074 120.515 120.500 -0.098 0.000 2.148 439 R HA -0.057 4.298 4.340 0.025 0.000 0.223 439 R C 2.208 178.467 176.300 -0.069 0.000 1.088 439 R CA 0.597 56.673 56.100 -0.039 0.000 0.985 439 R CB 0.097 30.415 30.300 0.030 0.000 0.880 439 R HN 0.016 nan 8.270 nan 0.000 0.451 440 V N 0.098 119.923 119.914 -0.148 0.000 2.341 440 V HA -0.181 3.954 4.120 0.025 0.000 0.240 440 V C 2.488 178.387 176.094 -0.325 0.000 1.035 440 V CA 2.150 64.337 62.300 -0.190 0.000 1.033 440 V CB -0.391 31.312 31.823 -0.201 0.000 0.678 440 V HN 0.496 nan 8.190 nan 0.000 0.464 441 T N -0.593 113.629 114.554 -0.552 0.000 2.746 441 T HA -0.252 4.113 4.350 0.025 0.000 0.267 441 T C 1.923 176.438 174.700 -0.309 0.000 1.039 441 T CA 1.512 63.176 62.100 -0.726 0.000 1.142 441 T CB -0.441 67.799 68.868 -1.046 0.000 0.866 441 T HN 0.393 nan 8.240 nan 0.000 0.444 442 R N 0.256 120.610 120.500 -0.244 0.000 2.148 442 R HA 0.189 4.543 4.340 0.025 0.000 0.227 442 R C 2.629 178.845 176.300 -0.140 0.000 1.103 442 R CA 1.376 57.376 56.100 -0.167 0.000 0.983 442 R CB -0.455 29.758 30.300 -0.146 0.000 0.874 442 R HN 0.497 nan 8.270 nan 0.000 0.451 443 M N 0.481 120.007 119.600 -0.123 0.000 2.156 443 M HA -0.120 4.375 4.480 0.025 0.000 0.264 443 M C 1.813 178.043 176.300 -0.118 0.000 1.067 443 M CA 1.566 56.828 55.300 -0.063 0.000 1.131 443 M CB 0.154 32.760 32.600 0.011 0.000 1.368 443 M HN -0.024 nan 8.290 nan 0.000 0.416 444 V N 1.102 120.837 119.914 -0.299 0.000 2.343 444 V HA -0.284 3.851 4.120 0.025 0.000 0.247 444 V C 2.272 178.255 176.094 -0.186 0.000 1.051 444 V CA 1.966 63.963 62.300 -0.505 0.000 1.036 444 V CB -0.919 30.576 31.823 -0.546 0.000 0.654 444 V HN 0.587 nan 8.190 nan 0.000 0.451 445 Q N -0.648 119.077 119.800 -0.125 0.000 2.170 445 Q HA -0.230 4.125 4.340 0.025 0.000 0.203 445 Q C 2.479 178.389 176.000 -0.149 0.000 0.976 445 Q CA 1.566 57.303 55.803 -0.110 0.000 0.858 445 Q CB -0.182 28.506 28.738 -0.084 0.000 0.907 445 Q HN 0.527 nan 8.270 nan 0.000 0.433 446 R N 0.300 120.706 120.500 -0.156 0.000 2.062 446 R HA -0.091 4.264 4.340 0.025 0.000 0.226 446 R C 0.552 176.778 176.300 -0.122 0.000 1.125 446 R CA 1.322 57.309 56.100 -0.188 0.000 0.966 446 R CB 0.384 30.574 30.300 -0.183 0.000 0.861 446 R HN 0.147 nan 8.270 nan 0.000 0.433 447 D N -0.370 120.021 120.400 -0.014 0.000 2.398 447 D HA 0.001 4.656 4.640 0.025 0.000 0.210 447 D C 1.271 177.683 176.300 0.187 0.000 1.094 447 D CA 0.101 54.146 54.000 0.075 0.000 0.839 447 D CB 0.277 41.083 40.800 0.011 0.000 0.963 447 D HN 0.347 nan 8.370 nan 0.000 0.506 448 R N 0.513 121.133 120.500 0.199 0.000 2.293 448 R HA 0.014 4.369 4.340 0.025 0.000 0.219 448 R C 0.658 176.972 176.300 0.023 0.000 1.091 448 R CA 0.825 57.067 56.100 0.236 0.000 1.004 448 R CB -0.262 30.113 30.300 0.125 0.000 0.865 448 R HN -0.079 nan 8.270 nan 0.000 0.469 449 N N 0.327 118.962 118.700 -0.108 0.000 2.336 449 N HA 0.005 4.760 4.740 0.025 0.000 0.189 449 N C -0.547 174.832 175.510 -0.218 0.000 1.113 449 N CA 0.230 53.183 53.050 -0.160 0.000 0.858 449 N CB 0.131 38.509 38.487 -0.181 0.000 0.970 449 N HN 0.283 nan 8.380 nan 0.000 0.471 450 H N 1.303 120.324 119.070 -0.082 0.000 2.668 450 H HA 0.122 4.693 4.556 0.024 0.000 0.303 450 H C -1.198 173.986 175.328 -0.239 0.000 1.074 450 H CA -1.369 54.609 56.048 -0.116 0.000 1.406 450 H CB 1.645 31.376 29.762 -0.052 0.000 1.442 450 H HN 0.037 nan 8.280 nan 0.000 0.482 451 P HA -0.159 nan 4.420 nan 0.000 0.218 451 P C 1.428 178.244 177.300 -0.807 0.000 1.149 451 P CA 1.186 63.916 63.100 -0.617 0.000 0.817 451 P CB 0.282 31.374 31.700 -1.014 0.000 0.785 452 S N -0.651 114.690 115.700 -0.599 0.000 2.419 452 S HA -0.056 4.429 4.470 0.025 0.000 0.233 452 S C 1.141 175.719 174.600 -0.038 0.000 1.016 452 S CA 0.455 58.492 58.200 -0.271 0.000 0.974 452 S CB -1.578 61.617 63.200 -0.009 0.000 0.786 452 S HN -0.050 nan 8.310 nan 0.000 0.492 453 V N 3.647 123.512 119.914 -0.081 0.000 2.439 453 V HA 0.219 4.353 4.120 0.025 0.000 0.271 453 V C 1.140 177.101 176.094 -0.221 0.000 1.040 453 V CA 0.074 62.289 62.300 -0.142 0.000 1.002 453 V CB 0.343 31.994 31.823 -0.287 0.000 1.000 453 V HN 0.637 nan 8.190 nan 0.000 0.477 454 I N 2.774 123.267 120.570 -0.128 0.000 4.139 454 I HA 0.505 4.690 4.170 0.025 0.000 0.320 454 I C 0.415 176.419 176.117 -0.190 0.000 1.290 454 I CA 0.583 61.816 61.300 -0.111 0.000 1.253 454 I CB 0.518 38.535 38.000 0.028 0.000 1.122 454 I HN 0.326 nan 8.210 nan 0.000 0.421 455 I N 0.073 120.508 120.570 -0.225 0.000 2.722 455 I HA 0.355 4.540 4.170 0.025 0.000 0.295 455 I C -1.558 174.443 176.117 -0.194 0.000 1.161 455 I CA -0.444 60.760 61.300 -0.161 0.000 1.032 455 I CB 2.138 40.140 38.000 0.003 0.000 1.244 455 I HN 0.026 nan 8.210 nan 0.000 0.421 456 W N 3.727 125.079 121.300 0.088 0.000 2.438 456 W HA 0.620 5.292 4.660 0.021 0.000 0.324 456 W C 0.384 176.973 176.519 0.117 0.000 1.119 456 W CA -0.582 56.822 57.345 0.098 0.000 1.221 456 W CB 1.662 31.175 29.460 0.089 0.000 1.253 456 W HN 0.312 nan 8.180 nan 0.000 0.555 457 S N 2.626 118.570 115.700 0.406 0.000 2.521 457 S HA 0.397 4.882 4.470 0.025 0.000 0.295 457 S C 0.122 174.902 174.600 0.300 0.000 1.098 457 S CA -0.719 57.666 58.200 0.308 0.000 0.999 457 S CB 0.826 64.160 63.200 0.223 0.000 1.034 457 S HN 0.568 nan 8.310 nan 0.000 0.483 458 L N 4.194 125.593 121.223 0.293 0.000 2.650 458 L HA 0.351 4.706 4.340 0.025 0.000 0.235 458 L C 1.448 178.397 176.870 0.130 0.000 1.149 458 L CA 0.540 55.467 54.840 0.146 0.000 0.887 458 L CB -1.228 40.812 42.059 -0.033 0.000 1.021 458 L HN 1.021 nan 8.230 nan 0.000 0.441 459 G N 0.018 108.983 108.800 0.274 0.000 2.295 459 G HA2 -0.150 3.824 3.960 0.025 0.000 0.195 459 G HA3 -0.150 3.824 3.960 0.025 0.000 0.195 459 G C -1.492 173.628 174.900 0.367 0.000 1.269 459 G CA -0.439 44.831 45.100 0.283 0.000 1.170 459 G HN 0.211 nan 8.290 nan 0.000 0.511 460 N N 0.210 119.076 118.700 0.275 0.000 2.405 460 N HA 0.461 5.216 4.740 0.025 0.000 0.274 460 N C -0.498 175.022 175.510 0.016 0.000 1.170 460 N CA 0.185 53.264 53.050 0.049 0.000 0.848 460 N CB 1.527 39.765 38.487 -0.415 0.000 1.629 460 N HN 0.907 nan 8.380 nan 0.000 0.481 461 E N 0.575 120.727 120.200 -0.081 0.000 2.160 461 E HA -0.180 4.185 4.350 0.025 0.000 0.180 461 E C -0.808 175.810 176.600 0.029 0.000 1.452 461 E CA 0.801 57.150 56.400 -0.084 0.000 0.683 461 E CB -1.309 28.280 29.700 -0.186 0.000 1.072 461 E HN 0.424 nan 8.360 nan 0.000 0.332 462 S N -0.040 115.778 115.700 0.196 0.000 2.941 462 S HA 0.398 4.883 4.470 0.025 0.000 0.251 462 S C 0.664 175.448 174.600 0.308 0.000 1.029 462 S CA -0.134 58.215 58.200 0.249 0.000 1.062 462 S CB 1.384 64.786 63.200 0.337 0.000 0.977 462 S HN 0.841 nan 8.310 nan 0.000 0.552 463 G N 2.032 110.953 108.800 0.201 0.000 2.601 463 G HA2 -0.265 3.710 3.960 0.025 0.000 0.261 463 G HA3 -0.265 3.710 3.960 0.025 0.000 0.261 463 G C -0.499 174.609 174.900 0.348 0.000 1.289 463 G CA -0.042 45.170 45.100 0.186 0.000 0.920 463 G HN 0.648 nan 8.290 nan 0.000 0.571 464 H N 0.488 119.685 119.070 0.212 0.000 2.823 464 H HA 0.581 5.151 4.556 0.024 0.000 0.332 464 H C 0.286 175.794 175.328 0.299 0.000 0.980 464 H CA 0.001 56.215 56.048 0.277 0.000 1.286 464 H CB 0.795 30.656 29.762 0.164 0.000 1.541 464 H HN 1.103 nan 8.280 nan 0.000 0.521 465 G N 1.422 110.286 108.800 0.106 0.000 2.685 465 G HA2 0.459 4.434 3.960 0.025 0.000 0.298 465 G HA3 0.459 4.434 3.960 0.025 0.000 0.298 465 G C 0.529 175.265 174.900 -0.274 0.000 1.277 465 G CA -0.170 44.831 45.100 -0.165 0.000 0.986 465 G HN 0.660 nan 8.290 nan 0.000 0.487 466 A N 0.034 122.744 122.820 -0.184 0.000 2.019 466 A HA -0.067 4.268 4.320 0.025 0.000 0.219 466 A C 2.080 179.625 177.584 -0.065 0.000 1.164 466 A CA 1.759 53.733 52.037 -0.105 0.000 0.644 466 A CB -0.412 18.556 19.000 -0.054 0.000 0.805 466 A HN 0.515 nan 8.150 nan 0.000 0.449 467 N N -0.196 118.430 118.700 -0.124 0.000 2.223 467 N HA -0.137 4.618 4.740 0.025 0.000 0.185 467 N C 1.353 176.782 175.510 -0.135 0.000 1.016 467 N CA 1.642 54.609 53.050 -0.138 0.000 0.863 467 N CB -0.639 37.731 38.487 -0.196 0.000 0.983 467 N HN 0.778 nan 8.380 nan 0.000 0.429 468 H N 0.417 119.460 119.070 -0.045 0.000 2.321 468 H HA -0.020 4.550 4.556 0.024 0.000 0.300 468 H C 1.273 176.666 175.328 0.108 0.000 1.087 468 H CA 1.338 57.373 56.048 -0.021 0.000 1.319 468 H CB 0.135 29.895 29.762 -0.004 0.000 1.379 468 H HN 0.186 nan 8.280 nan 0.000 0.501 469 D N 0.330 120.880 120.400 0.250 0.000 2.144 469 D HA -0.124 4.531 4.640 0.025 0.000 0.199 469 D C 2.279 178.728 176.300 0.248 0.000 0.984 469 D CA 1.141 55.294 54.000 0.254 0.000 0.834 469 D CB -0.338 40.580 40.800 0.196 0.000 0.955 469 D HN 0.433 nan 8.370 nan 0.000 0.465 470 A N 0.824 123.738 122.820 0.157 0.000 1.902 470 A HA -0.111 4.224 4.320 0.025 0.000 0.217 470 A C 2.403 180.097 177.584 0.182 0.000 1.181 470 A CA 0.910 53.032 52.037 0.141 0.000 0.623 470 A CB -0.721 18.320 19.000 0.068 0.000 0.818 470 A HN 0.195 nan 8.150 nan 0.000 0.443 471 L N -2.164 119.149 121.223 0.151 0.000 2.156 471 L HA -0.121 4.234 4.340 0.025 0.000 0.208 471 L C 2.544 179.561 176.870 0.244 0.000 1.095 471 L CA 1.377 56.311 54.840 0.156 0.000 0.770 471 L CB -0.667 41.410 42.059 0.031 0.000 0.914 471 L HN 0.597 nan 8.230 nan 0.000 0.439 472 Y N 1.363 121.750 120.300 0.146 0.000 2.128 472 Y HA -0.328 4.232 4.550 0.017 0.000 0.284 472 Y C 2.815 178.800 175.900 0.142 0.000 1.154 472 Y CA 1.806 59.997 58.100 0.151 0.000 1.149 472 Y CB -0.118 38.435 38.460 0.155 0.000 0.976 472 Y HN -0.025 nan 8.280 nan 0.000 0.505 473 R N -0.195 120.433 120.500 0.214 0.000 2.115 473 R HA -0.182 4.173 4.340 0.025 0.000 0.230 473 R C 2.021 178.327 176.300 0.009 0.000 1.111 473 R CA 1.756 57.892 56.100 0.060 0.000 0.976 473 R CB -1.356 29.059 30.300 0.191 0.000 0.870 473 R HN 0.648 nan 8.270 nan 0.000 0.445 474 W N 0.502 121.764 121.300 -0.063 0.000 2.335 474 W HA -0.166 4.510 4.660 0.027 0.000 0.311 474 W C 1.546 177.975 176.519 -0.151 0.000 1.213 474 W CA 2.042 59.333 57.345 -0.090 0.000 1.274 474 W CB -0.244 29.166 29.460 -0.084 0.000 1.148 474 W HN 0.079 nan 8.180 nan 0.000 0.498 475 I N 0.891 121.462 120.570 0.002 0.000 2.179 475 I HA -0.352 3.833 4.170 0.025 0.000 0.242 475 I C 2.463 178.382 176.117 -0.330 0.000 1.088 475 I CA 1.422 62.571 61.300 -0.253 0.000 1.357 475 I CB -0.760 37.157 38.000 -0.139 0.000 1.051 475 I HN -0.111 nan 8.210 nan 0.000 0.409 476 K N 0.393 120.605 120.400 -0.314 0.000 2.160 476 K HA -0.189 4.146 4.320 0.025 0.000 0.206 476 K C 2.265 178.725 176.600 -0.233 0.000 1.047 476 K CA 1.641 57.766 56.287 -0.271 0.000 0.930 476 K CB -0.548 31.745 32.500 -0.345 0.000 0.720 476 K HN 0.311 nan 8.250 nan 0.000 0.450 477 S N 1.026 116.552 115.700 -0.291 0.000 2.362 477 S HA -0.091 4.394 4.470 0.025 0.000 0.221 477 S C 2.096 176.474 174.600 -0.370 0.000 1.032 477 S CA 1.266 59.296 58.200 -0.284 0.000 0.973 477 S CB -0.194 62.852 63.200 -0.256 0.000 0.849 477 S HN 0.170 nan 8.310 nan 0.000 0.465 478 V N -0.634 118.909 119.914 -0.617 0.000 2.719 478 V HA 0.238 4.372 4.120 0.025 0.000 0.252 478 V C 0.390 176.252 176.094 -0.387 0.000 1.065 478 V CA 1.558 63.498 62.300 -0.600 0.000 1.086 478 V CB -0.524 30.698 31.823 -1.002 0.000 0.700 478 V HN 0.487 nan 8.190 nan 0.000 0.467 479 D N 0.278 120.498 120.400 -0.299 0.000 2.364 479 D HA 0.398 5.053 4.640 0.025 0.000 0.251 479 D C -2.239 174.053 176.300 -0.013 0.000 1.282 479 D CA -1.866 52.074 54.000 -0.101 0.000 0.927 479 D CB 1.658 42.489 40.800 0.051 0.000 1.267 479 D HN 0.151 nan 8.370 nan 0.000 0.531 480 P HA -0.049 nan 4.420 nan 0.000 0.234 480 P C 1.230 178.550 177.300 0.034 0.000 1.167 480 P CA 0.522 63.617 63.100 -0.009 0.000 0.763 480 P CB 0.139 31.828 31.700 -0.019 0.000 0.835 481 S N -1.375 114.354 115.700 0.048 0.000 2.515 481 S HA 0.017 4.502 4.470 0.025 0.000 0.231 481 S C 0.883 175.509 174.600 0.044 0.000 0.987 481 S CA 0.124 58.357 58.200 0.054 0.000 0.936 481 S CB -0.408 62.819 63.200 0.044 0.000 0.766 481 S HN 0.063 nan 8.310 nan 0.000 0.528 482 R N 1.056 121.594 120.500 0.063 0.000 2.621 482 R HA 0.520 4.874 4.340 0.025 0.000 0.284 482 R C -3.198 173.148 176.300 0.077 0.000 0.998 482 R CA -2.222 53.876 56.100 -0.003 0.000 0.895 482 R CB 1.686 31.860 30.300 -0.211 0.000 1.195 482 R HN 0.148 nan 8.270 nan 0.000 0.450 483 P HA 0.052 nan 4.420 nan 0.000 0.271 483 P C -0.799 176.606 177.300 0.176 0.000 1.233 483 P CA -0.357 62.806 63.100 0.104 0.000 0.789 483 P CB 0.625 32.373 31.700 0.079 0.000 0.951 484 V N 2.054 122.099 119.914 0.218 0.000 2.459 484 V HA 0.405 4.540 4.120 0.025 0.000 0.295 484 V C 0.240 176.525 176.094 0.320 0.000 1.029 484 V CA -0.245 62.236 62.300 0.300 0.000 0.874 484 V CB 1.039 33.001 31.823 0.231 0.000 0.985 484 V HN 0.612 nan 8.190 nan 0.000 0.438 485 Q N 3.903 123.874 119.800 0.286 0.000 2.458 485 Q HA 0.811 5.166 4.340 0.025 0.000 0.282 485 Q C -1.857 174.321 176.000 0.298 0.000 1.106 485 Q CA -0.933 55.008 55.803 0.231 0.000 0.814 485 Q CB 3.004 31.821 28.738 0.131 0.000 1.425 485 Q HN 0.635 nan 8.270 nan 0.000 0.437 486 Y N 0.062 120.388 120.300 0.044 0.000 2.337 486 Y HA 0.133 4.696 4.550 0.023 0.000 0.318 486 Y C -0.644 175.216 175.900 -0.066 0.000 1.258 486 Y CA -0.716 57.380 58.100 -0.006 0.000 1.132 486 Y CB 1.929 40.380 38.460 -0.016 0.000 1.307 486 Y HN 0.955 nan 8.280 nan 0.000 0.428 487 E N 3.363 123.086 120.200 -0.795 0.000 2.318 487 E HA 0.136 4.501 4.350 0.025 0.000 0.193 487 E C 0.636 176.814 176.600 -0.703 0.000 0.998 487 E CA 0.737 56.787 56.400 -0.583 0.000 0.859 487 E CB 0.275 29.759 29.700 -0.360 0.000 0.812 487 E HN 0.877 nan 8.360 nan 0.000 0.492 488 G N -0.259 107.737 108.800 -1.341 0.000 2.491 488 G HA2 0.269 4.244 3.960 0.025 0.000 0.238 488 G HA3 0.269 4.244 3.960 0.025 0.000 0.238 488 G C 0.785 175.560 174.900 -0.209 0.000 1.277 488 G CA 0.249 44.981 45.100 -0.614 0.000 0.851 488 G HN 0.327 nan 8.290 nan 0.000 0.573 489 G N -0.563 108.216 108.800 -0.034 0.000 2.143 489 G HA2 0.234 4.209 3.960 0.025 0.000 0.248 489 G HA3 0.234 4.209 3.960 0.025 0.000 0.248 489 G C 1.242 176.159 174.900 0.029 0.000 0.991 489 G CA 0.952 46.088 45.100 0.060 0.000 0.689 489 G HN 2.617 nan 8.290 nan 0.000 0.522 490 G N -1.382 107.429 108.800 0.019 0.000 2.192 490 G HA2 0.444 4.418 3.960 0.025 0.000 0.193 490 G HA3 0.444 4.418 3.960 0.025 0.000 0.193 490 G C 1.022 176.061 174.900 0.233 0.000 0.999 490 G CA 1.306 46.482 45.100 0.126 0.000 0.659 490 G HN 2.356 nan 8.290 nan 0.000 0.503 491 A N -0.298 122.539 122.820 0.028 0.000 3.661 491 A HA -0.118 4.217 4.320 0.025 0.000 0.269 491 A C 1.102 178.628 177.584 -0.096 0.000 1.056 491 A CA 2.619 54.611 52.037 -0.074 0.000 1.159 491 A CB -1.751 17.177 19.000 -0.120 0.000 1.105 491 A HN 2.127 nan 8.150 nan 0.000 0.907 492 D N -0.847 119.581 120.400 0.046 0.000 2.760 492 D HA 0.316 4.971 4.640 0.025 0.000 0.314 492 D C 0.390 176.695 176.300 0.008 0.000 1.464 492 D CA 0.865 54.896 54.000 0.052 0.000 0.797 492 D CB -1.142 39.835 40.800 0.296 0.000 1.149 492 D HN 0.846 nan 8.370 nan 0.000 0.455 493 T N -2.365 112.128 114.554 -0.102 0.000 2.689 493 T HA 0.211 4.576 4.350 0.025 0.000 0.308 493 T C 1.575 176.141 174.700 -0.224 0.000 1.021 493 T CA 0.457 62.419 62.100 -0.230 0.000 0.973 493 T CB 0.832 69.342 68.868 -0.596 0.000 1.113 493 T HN 0.080 nan 8.240 nan 0.000 0.522 494 T N -2.622 111.783 114.554 -0.249 0.000 3.163 494 T HA 0.247 4.611 4.350 0.025 0.000 0.260 494 T C 1.442 175.889 174.700 -0.422 0.000 1.156 494 T CA 0.221 62.189 62.100 -0.220 0.000 1.072 494 T CB -0.507 68.315 68.868 -0.077 0.000 0.937 494 T HN 0.831 nan 8.240 nan 0.000 0.528 495 A N 0.361 122.959 122.820 -0.369 0.000 2.460 495 A HA 0.516 4.851 4.320 0.025 0.000 0.258 495 A C 0.793 178.230 177.584 -0.244 0.000 1.300 495 A CA -0.345 51.456 52.037 -0.393 0.000 0.913 495 A CB 0.146 19.196 19.000 0.082 0.000 1.031 495 A HN 0.421 nan 8.150 nan 0.000 0.512 496 T N -1.239 113.174 114.554 -0.236 0.000 2.921 496 T HA 0.367 4.732 4.350 0.025 0.000 0.297 496 T C -0.583 174.147 174.700 0.050 0.000 1.013 496 T CA -0.430 61.682 62.100 0.020 0.000 0.990 496 T CB 1.219 70.094 68.868 0.012 0.000 1.023 496 T HN 0.092 nan 8.240 nan 0.000 0.447 497 D N 2.942 123.455 120.400 0.189 0.000 2.348 497 D HA 0.262 4.917 4.640 0.025 0.000 0.211 497 D C 0.354 176.691 176.300 0.063 0.000 0.998 497 D CA 0.684 54.776 54.000 0.152 0.000 0.873 497 D CB 0.420 41.341 40.800 0.200 0.000 0.925 497 D HN 0.536 nan 8.370 nan 0.000 0.524 498 I N 0.957 121.547 120.570 0.033 0.000 2.545 498 I HA 0.256 4.441 4.170 0.025 0.000 0.292 498 I C -0.149 175.908 176.117 -0.100 0.000 1.040 498 I CA -0.909 60.374 61.300 -0.027 0.000 1.068 498 I CB 2.782 40.778 38.000 -0.006 0.000 1.251 498 I HN -0.354 nan 8.210 nan 0.000 0.424 499 I N 5.735 126.197 120.570 -0.180 0.000 2.505 499 I HA 0.040 4.225 4.170 0.025 0.000 0.287 499 I C 0.187 176.097 176.117 -0.345 0.000 1.104 499 I CA 0.053 61.145 61.300 -0.347 0.000 1.387 499 I CB 0.173 37.849 38.000 -0.541 0.000 1.404 499 I HN 0.678 nan 8.210 nan 0.000 0.528 500 C N 5.698 124.812 119.300 -0.310 0.000 3.401 500 C HA 0.480 4.955 4.460 0.025 0.000 0.204 500 C C -2.229 172.632 174.990 -0.214 0.000 1.522 500 C CA -2.294 56.597 59.018 -0.211 0.000 1.409 500 C CB -0.869 26.806 27.740 -0.108 0.000 1.967 500 C HN 0.407 nan 8.230 nan 0.000 0.496 501 P HA 0.310 nan 4.420 nan 0.000 0.272 501 P C -0.396 176.858 177.300 -0.077 0.000 1.240 501 P CA 0.278 63.286 63.100 -0.153 0.000 0.791 501 P CB 0.754 32.392 31.700 -0.104 0.000 0.978 502 M N 0.304 119.878 119.600 -0.043 0.000 2.167 502 M HA 0.439 4.934 4.480 0.025 0.000 0.333 502 M C -0.793 175.472 176.300 -0.057 0.000 1.030 502 M CA -0.661 54.506 55.300 -0.222 0.000 0.963 502 M CB 0.933 33.392 32.600 -0.234 0.000 1.589 502 M HN 0.326 nan 8.290 nan 0.000 0.431 503 Y N -0.219 120.258 120.300 0.294 0.000 4.490 503 Y HA -0.213 4.353 4.550 0.026 0.000 0.233 503 Y C 0.484 176.565 175.900 0.301 0.000 1.101 503 Y CA 0.417 58.695 58.100 0.296 0.000 2.010 503 Y CB -2.282 36.325 38.460 0.245 0.000 1.622 503 Y HN 0.967 nan 8.280 nan 0.000 0.675 504 A N 1.089 124.126 122.820 0.363 0.000 2.425 504 A HA 0.596 4.931 4.320 0.025 0.000 0.249 504 A C 0.745 178.554 177.584 0.374 0.000 1.084 504 A CA -0.459 51.797 52.037 0.365 0.000 0.781 504 A CB 0.436 19.688 19.000 0.420 0.000 1.019 504 A HN 0.420 nan 8.150 nan 0.000 0.490 505 R N 1.280 121.927 120.500 0.245 0.000 2.541 505 R HA 0.335 4.690 4.340 0.025 0.000 0.263 505 R C 1.011 177.277 176.300 -0.057 0.000 1.112 505 R CA -0.701 55.474 56.100 0.125 0.000 1.170 505 R CB 0.560 30.903 30.300 0.072 0.000 1.167 505 R HN 0.491 nan 8.270 nan 0.000 0.582 506 V N 0.557 120.271 119.914 -0.334 0.000 2.283 506 V HA -0.179 3.956 4.120 0.025 0.000 0.243 506 V C 0.941 176.917 176.094 -0.196 0.000 1.039 506 V CA 1.842 63.909 62.300 -0.387 0.000 1.016 506 V CB -0.245 31.222 31.823 -0.594 0.000 0.650 506 V HN 0.723 nan 8.190 nan 0.000 0.449 507 D N -1.470 118.848 120.400 -0.136 0.000 2.454 507 D HA 0.105 4.760 4.640 0.025 0.000 0.219 507 D C 0.891 177.177 176.300 -0.024 0.000 1.081 507 D CA 0.076 54.033 54.000 -0.072 0.000 0.867 507 D CB 0.722 41.483 40.800 -0.065 0.000 1.054 507 D HN 0.456 nan 8.370 nan 0.000 0.500 508 E N 1.889 122.077 120.200 -0.020 0.000 2.174 508 E HA 0.112 4.476 4.350 0.025 0.000 0.282 508 E C -0.856 175.744 176.600 -0.000 0.000 0.992 508 E CA -0.582 55.815 56.400 -0.005 0.000 0.803 508 E CB 0.986 30.683 29.700 -0.006 0.000 1.090 508 E HN -0.170 nan 8.360 nan 0.000 0.396 509 D N 3.590 123.992 120.400 0.004 0.000 2.341 509 D HA 0.114 4.769 4.640 0.025 0.000 0.245 509 D C -0.542 175.643 176.300 -0.191 0.000 1.106 509 D CA 0.258 54.248 54.000 -0.018 0.000 0.905 509 D CB 1.101 41.964 40.800 0.105 0.000 1.202 509 D HN 0.407 nan 8.370 nan 0.000 0.426 510 Q N 1.575 121.129 119.800 -0.409 0.000 2.932 510 Q HA 0.234 4.589 4.340 0.025 0.000 0.248 510 Q C -2.224 173.147 176.000 -1.049 0.000 0.982 510 Q CA -1.493 53.864 55.803 -0.742 0.000 0.730 510 Q CB 2.296 30.551 28.738 -0.804 0.000 1.249 510 Q HN 0.180 nan 8.270 nan 0.000 0.476 511 P HA -0.015 nan 4.420 nan 0.000 0.225 511 P C -0.666 176.331 177.300 -0.505 0.000 1.768 511 P CA -0.013 62.663 63.100 -0.708 0.000 0.943 511 P CB -0.620 30.883 31.700 -0.328 0.000 1.936 512 F N 1.976 121.743 119.950 -0.305 0.000 2.553 512 F HA 0.147 4.688 4.527 0.024 0.000 0.356 512 F C -1.192 174.502 175.800 -0.176 0.000 1.142 512 F CA -2.258 55.626 58.000 -0.192 0.000 1.322 512 F CB -0.675 38.229 39.000 -0.161 0.000 1.126 512 F HN 0.066 nan 8.300 nan 0.000 0.599 513 P HA 0.138 nan 4.420 nan 0.000 0.268 513 P C 0.299 177.615 177.300 0.027 0.000 1.205 513 P CA 0.927 64.046 63.100 0.030 0.000 0.771 513 P CB 1.195 32.910 31.700 0.026 0.000 0.858 514 A N 2.684 125.515 122.820 0.020 0.000 2.617 514 A HA -0.245 4.090 4.320 0.025 0.000 0.236 514 A C 0.740 178.338 177.584 0.023 0.000 0.551 514 A CA 1.999 54.052 52.037 0.027 0.000 1.144 514 A CB -2.707 16.307 19.000 0.022 0.000 1.384 514 A HN 0.693 nan 8.150 nan 0.000 0.694 515 V N -2.873 117.047 119.914 0.010 0.000 2.454 515 V HA 0.553 4.688 4.120 0.025 0.000 0.255 515 V C -2.293 173.789 176.094 -0.020 0.000 1.009 515 V CA -1.294 61.012 62.300 0.010 0.000 1.149 515 V CB 0.477 32.306 31.823 0.009 0.000 1.418 515 V HN 0.504 nan 8.190 nan 0.000 0.567 516 P HA 0.206 nan 4.420 nan 0.000 0.269 516 P C -0.536 176.333 177.300 -0.717 0.000 1.215 516 P CA 0.210 62.938 63.100 -0.619 0.000 0.780 516 P CB 0.949 31.779 31.700 -1.450 0.000 0.898 517 K N 2.283 122.322 120.400 -0.601 0.000 2.357 517 K HA 0.192 4.527 4.320 0.025 0.000 0.251 517 K C -0.377 175.899 176.600 -0.540 0.000 1.069 517 K CA -0.282 55.827 56.287 -0.298 0.000 0.994 517 K CB 0.242 32.849 32.500 0.178 0.000 1.411 517 K HN 0.461 nan 8.250 nan 0.000 0.450 518 W N 1.359 122.341 121.300 -0.530 0.000 2.112 518 W HA 0.025 4.700 4.660 0.025 0.000 0.349 518 W C 1.338 177.874 176.519 0.028 0.000 1.289 518 W CA -0.380 56.758 57.345 -0.346 0.000 1.256 518 W CB 0.379 29.468 29.460 -0.619 0.000 1.148 518 W HN 0.364 nan 8.180 nan 0.000 0.590 519 S N 3.142 119.003 115.700 0.269 0.000 2.558 519 S HA -0.082 4.403 4.470 0.025 0.000 0.291 519 S C 1.192 175.953 174.600 0.269 0.000 1.306 519 S CA -0.099 58.206 58.200 0.176 0.000 1.056 519 S CB 0.170 63.429 63.200 0.098 0.000 0.836 519 S HN 0.510 nan 8.310 nan 0.000 0.504 520 I N 2.087 122.773 120.570 0.192 0.000 2.286 520 I HA -0.120 4.065 4.170 0.025 0.000 0.248 520 I C 2.082 178.237 176.117 0.063 0.000 1.115 520 I CA 1.208 62.623 61.300 0.191 0.000 1.392 520 I CB -0.422 37.631 38.000 0.087 0.000 1.065 520 I HN 0.592 nan 8.210 nan 0.000 0.418 521 K N 1.606 121.942 120.400 -0.106 0.000 2.057 521 K HA -0.178 4.156 4.320 0.025 0.000 0.207 521 K C 2.307 178.922 176.600 0.024 0.000 1.049 521 K CA 1.891 58.033 56.287 -0.242 0.000 0.931 521 K CB -0.197 32.094 32.500 -0.348 0.000 0.714 521 K HN 0.378 nan 8.250 nan 0.000 0.440 522 K N -0.027 120.410 120.400 0.061 0.000 2.155 522 K HA -0.170 4.165 4.320 0.025 0.000 0.203 522 K C 1.902 178.555 176.600 0.088 0.000 1.052 522 K CA 0.854 57.171 56.287 0.050 0.000 0.948 522 K CB -0.080 32.419 32.500 -0.001 0.000 0.728 522 K HN 0.217 nan 8.250 nan 0.000 0.448 523 W N 2.096 123.404 121.300 0.014 0.000 2.338 523 W HA -0.176 4.497 4.660 0.022 0.000 0.304 523 W C 1.534 178.048 176.519 -0.009 0.000 1.212 523 W CA 1.107 58.470 57.345 0.029 0.000 1.264 523 W CB -0.614 28.940 29.460 0.157 0.000 1.142 523 W HN 0.088 nan 8.180 nan 0.000 0.512 524 L N 0.896 122.286 121.223 0.278 0.000 2.081 524 L HA -0.258 4.096 4.340 0.025 0.000 0.212 524 L C 2.268 179.212 176.870 0.124 0.000 1.080 524 L CA 2.039 56.977 54.840 0.163 0.000 0.754 524 L CB -0.979 41.164 42.059 0.140 0.000 0.893 524 L HN 0.004 nan 8.230 nan 0.000 0.433 525 S N -1.450 114.309 115.700 0.098 0.000 2.572 525 S HA 0.252 4.737 4.470 0.025 0.000 0.228 525 S C 0.574 175.169 174.600 -0.010 0.000 0.963 525 S CA -0.542 57.683 58.200 0.043 0.000 0.939 525 S CB -0.418 62.805 63.200 0.038 0.000 0.804 525 S HN 0.156 nan 8.310 nan 0.000 0.480 526 L N 2.061 123.270 121.223 -0.023 0.000 2.506 526 L HA 0.232 4.587 4.340 0.025 0.000 0.281 526 L C -2.198 174.639 176.870 -0.054 0.000 1.228 526 L CA -1.756 53.018 54.840 -0.111 0.000 0.850 526 L CB -0.412 41.543 42.059 -0.174 0.000 1.110 526 L HN 0.028 nan 8.230 nan 0.000 0.496 527 P HA -0.047 nan 4.420 nan 0.000 0.260 527 P C 0.805 178.096 177.300 -0.015 0.000 1.172 527 P CA 1.118 64.192 63.100 -0.044 0.000 0.760 527 P CB 0.460 32.128 31.700 -0.053 0.000 0.773 528 G N 1.791 110.590 108.800 -0.002 0.000 2.234 528 G HA2 -0.289 3.686 3.960 0.025 0.000 0.260 528 G HA3 -0.289 3.686 3.960 0.025 0.000 0.260 528 G C 0.294 175.209 174.900 0.025 0.000 0.987 528 G CA 0.192 45.299 45.100 0.011 0.000 0.625 528 G HN 0.627 nan 8.290 nan 0.000 0.532 529 E N 1.188 121.409 120.200 0.035 0.000 2.344 529 E HA 0.566 4.931 4.350 0.025 0.000 0.270 529 E C 1.388 178.014 176.600 0.044 0.000 1.021 529 E CA 0.754 57.188 56.400 0.058 0.000 0.887 529 E CB 0.749 30.509 29.700 0.101 0.000 0.997 529 E HN 0.545 nan 8.360 nan 0.000 0.429 530 T N 0.681 115.257 114.554 0.037 0.000 3.087 530 T HA 0.337 4.702 4.350 0.025 0.000 0.283 530 T C 0.610 175.321 174.700 0.019 0.000 0.956 530 T CA -0.453 61.663 62.100 0.027 0.000 0.894 530 T CB 0.140 69.023 68.868 0.024 0.000 1.160 530 T HN 0.222 nan 8.240 nan 0.000 0.532 531 R N 2.192 122.699 120.500 0.012 0.000 2.583 531 R HA 0.493 4.848 4.340 0.025 0.000 0.268 531 R C -2.571 173.713 176.300 -0.027 0.000 1.101 531 R CA -1.943 54.154 56.100 -0.005 0.000 1.180 531 R CB 0.128 30.418 30.300 -0.016 0.000 1.128 531 R HN 0.206 nan 8.270 nan 0.000 0.568 532 P HA 0.118 nan 4.420 nan 0.000 0.276 532 P C -1.122 176.113 177.300 -0.109 0.000 1.244 532 P CA -0.183 62.879 63.100 -0.062 0.000 0.801 532 P CB 0.702 32.365 31.700 -0.062 0.000 1.006 533 L N 2.352 123.491 121.223 -0.139 0.000 2.349 533 L HA 0.587 4.942 4.340 0.025 0.000 0.278 533 L C -1.097 175.638 176.870 -0.225 0.000 0.996 533 L CA -0.667 54.052 54.840 -0.202 0.000 0.825 533 L CB 0.646 42.577 42.059 -0.213 0.000 1.243 533 L HN 0.234 nan 8.230 nan 0.000 0.412 534 I N 5.579 126.023 120.570 -0.209 0.000 2.500 534 I HA 0.258 4.442 4.170 0.025 0.000 0.286 534 I C -0.762 175.272 176.117 -0.137 0.000 1.063 534 I CA -0.552 60.611 61.300 -0.228 0.000 1.062 534 I CB 2.051 39.978 38.000 -0.121 0.000 1.223 534 I HN 0.484 nan 8.210 nan 0.000 0.435 535 L N 5.656 126.765 121.223 -0.189 0.000 2.455 535 L HA 0.018 4.373 4.340 0.025 0.000 0.272 535 L C 1.471 178.425 176.870 0.140 0.000 1.174 535 L CA -0.051 54.749 54.840 -0.067 0.000 0.869 535 L CB 0.632 42.631 42.059 -0.101 0.000 1.130 535 L HN 0.863 nan 8.230 nan 0.000 0.474 536 C N 0.256 119.613 119.300 0.095 0.000 2.481 536 C HA 0.164 4.639 4.460 0.025 0.000 0.275 536 C C 0.589 175.732 174.990 0.255 0.000 1.419 536 C CA -0.225 58.892 59.018 0.165 0.000 1.773 536 C CB -1.104 26.648 27.740 0.021 0.000 1.862 536 C HN 0.819 nan 8.230 nan 0.000 0.530 537 E N -0.853 119.441 120.200 0.156 0.000 2.335 537 E HA 0.588 4.952 4.350 0.025 0.000 0.280 537 E C -1.440 175.151 176.600 -0.014 0.000 0.918 537 E CA -0.404 56.090 56.400 0.155 0.000 0.765 537 E CB 1.981 31.596 29.700 -0.141 0.000 1.218 537 E HN 0.668 nan 8.360 nan 0.000 0.425 538 Y N -1.254 119.063 120.300 0.029 0.000 2.713 538 Y HA 0.625 5.191 4.550 0.026 0.000 0.335 538 Y C -0.738 175.352 175.900 0.317 0.000 1.222 538 Y CA -0.840 57.280 58.100 0.035 0.000 1.061 538 Y CB 0.881 39.198 38.460 -0.239 0.000 1.314 538 Y HN 0.670 nan 8.280 nan 0.000 0.453 539 A N 1.909 124.807 122.820 0.130 0.000 2.303 539 A HA -0.262 4.072 4.320 0.025 0.000 0.286 539 A C -0.417 177.305 177.584 0.230 0.000 1.429 539 A CA 1.055 53.167 52.037 0.125 0.000 0.738 539 A CB -2.444 16.541 19.000 -0.025 0.000 1.149 539 A HN 1.100 nan 8.150 nan 0.000 0.364 540 H N 0.819 120.049 119.070 0.267 0.000 3.191 540 H HA 0.283 4.853 4.556 0.025 0.000 0.261 540 H C 1.046 176.447 175.328 0.122 0.000 1.013 540 H CA 0.825 57.043 56.048 0.284 0.000 1.457 540 H CB 0.480 30.276 29.762 0.058 0.000 1.535 540 H HN 0.820 nan 8.280 nan 0.000 0.518 541 A N 6.752 129.495 122.820 -0.128 0.000 3.019 541 A HA 0.084 4.419 4.320 0.025 0.000 0.262 541 A C 0.791 178.250 177.584 -0.208 0.000 1.509 541 A CA -0.443 51.495 52.037 -0.166 0.000 1.159 541 A CB -0.646 18.231 19.000 -0.205 0.000 1.042 541 A HN 0.805 nan 8.150 nan 0.000 0.641 542 M N 1.491 120.956 119.600 -0.225 0.000 2.143 542 M HA 0.467 4.962 4.480 0.025 0.000 0.348 542 M C 0.903 177.061 176.300 -0.236 0.000 1.375 542 M CA 1.289 56.461 55.300 -0.214 0.000 1.124 542 M CB -0.066 32.445 32.600 -0.148 0.000 1.669 542 M HN 0.878 nan 8.290 nan 0.000 0.469 543 G N 4.143 112.791 108.800 -0.253 0.000 2.552 543 G HA2 -0.328 3.646 3.960 0.025 0.000 0.265 543 G HA3 -0.328 3.646 3.960 0.025 0.000 0.265 543 G C -0.372 174.064 174.900 -0.774 0.000 1.234 543 G CA -0.023 44.754 45.100 -0.538 0.000 0.944 543 G HN 0.866 nan 8.290 nan 0.000 0.568 544 N N 1.099 119.168 118.700 -1.051 0.000 2.448 544 N HA 0.519 5.274 4.740 0.025 0.000 0.250 544 N C 0.004 175.266 175.510 -0.414 0.000 1.136 544 N CA 1.025 53.616 53.050 -0.766 0.000 0.953 544 N CB 0.561 38.587 38.487 -0.770 0.000 1.251 544 N HN 0.837 nan 8.380 nan 0.000 0.502 545 S N 2.118 117.667 115.700 -0.251 0.000 2.903 545 S HA 0.633 5.118 4.470 0.025 0.000 0.314 545 S C -0.155 174.390 174.600 -0.092 0.000 1.177 545 S CA -0.356 57.749 58.200 -0.158 0.000 0.859 545 S CB 0.201 63.326 63.200 -0.125 0.000 1.265 545 S HN 0.362 nan 8.310 nan 0.000 0.584 546 L N 0.052 121.255 121.223 -0.033 0.000 4.793 546 L HA -0.055 4.300 4.340 0.025 0.000 0.404 546 L C 0.566 177.486 176.870 0.083 0.000 1.022 546 L CA 0.897 55.743 54.840 0.011 0.000 1.242 546 L CB -1.823 40.156 42.059 -0.134 0.000 2.049 546 L HN 0.733 nan 8.230 nan 0.000 0.637 547 G N -0.611 108.206 108.800 0.028 0.000 2.343 547 G HA2 0.472 4.447 3.960 0.025 0.000 0.254 547 G HA3 0.472 4.447 3.960 0.025 0.000 0.254 547 G C 1.230 176.185 174.900 0.092 0.000 1.277 547 G CA 0.292 45.387 45.100 -0.008 0.000 0.909 547 G HN 1.401 nan 8.290 nan 0.000 0.502 548 G N 1.851 110.705 108.800 0.090 0.000 2.141 548 G HA2 -0.310 3.665 3.960 0.025 0.000 0.242 548 G HA3 -0.310 3.665 3.960 0.025 0.000 0.242 548 G C 0.933 176.035 174.900 0.336 0.000 0.982 548 G CA 0.668 45.877 45.100 0.181 0.000 0.662 548 G HN 0.787 nan 8.290 nan 0.000 0.527 549 F N 1.641 121.723 119.950 0.219 0.000 2.161 549 F HA 0.145 4.688 4.527 0.025 0.000 0.300 549 F C 2.598 178.626 175.800 0.380 0.000 1.089 549 F CA 2.384 60.590 58.000 0.343 0.000 1.282 549 F CB -0.330 38.808 39.000 0.231 0.000 1.010 549 F HN 0.345 nan 8.300 nan 0.000 0.485 550 A N -0.391 122.607 122.820 0.297 0.000 2.015 550 A HA -0.205 4.130 4.320 0.025 0.000 0.219 550 A C 2.280 179.897 177.584 0.054 0.000 1.163 550 A CA 1.575 53.718 52.037 0.176 0.000 0.646 550 A CB -0.751 18.355 19.000 0.177 0.000 0.806 550 A HN 0.438 nan 8.150 nan 0.000 0.448 551 K N -1.502 118.918 120.400 0.034 0.000 2.057 551 K HA -0.177 4.158 4.320 0.025 0.000 0.207 551 K C 1.688 178.076 176.600 -0.353 0.000 1.049 551 K CA 1.655 57.873 56.287 -0.115 0.000 0.931 551 K CB -0.315 32.119 32.500 -0.111 0.000 0.714 551 K HN 0.571 nan 8.250 nan 0.000 0.440 552 Y N -0.895 119.138 120.300 -0.446 0.000 2.181 552 Y HA -0.232 4.333 4.550 0.024 0.000 0.288 552 Y C 1.964 176.861 175.900 -1.671 0.000 1.146 552 Y CA 1.504 58.965 58.100 -1.065 0.000 1.164 552 Y CB -0.242 37.589 38.460 -1.048 0.000 0.982 552 Y HN 0.183 nan 8.280 nan 0.000 0.515 553 W N -0.059 120.799 121.300 -0.736 0.000 2.363 553 W HA -0.194 4.481 4.660 0.026 0.000 0.296 553 W C 2.617 178.947 176.519 -0.314 0.000 1.212 553 W CA 1.443 58.485 57.345 -0.506 0.000 1.260 553 W CB -0.529 28.738 29.460 -0.321 0.000 1.131 553 W HN 0.035 nan 8.180 nan 0.000 0.530 554 Q N 0.757 120.470 119.800 -0.145 0.000 2.124 554 Q HA -0.160 4.195 4.340 0.025 0.000 0.202 554 Q C 2.166 178.096 176.000 -0.117 0.000 0.977 554 Q CA 1.981 57.738 55.803 -0.077 0.000 0.850 554 Q CB -0.496 28.208 28.738 -0.056 0.000 0.901 554 Q HN 0.278 nan 8.270 nan 0.000 0.429 555 A N -0.077 122.575 122.820 -0.280 0.000 1.897 555 A HA -0.082 4.253 4.320 0.025 0.000 0.215 555 A C 2.019 179.547 177.584 -0.093 0.000 1.181 555 A CA 0.912 52.808 52.037 -0.235 0.000 0.620 555 A CB -1.018 17.712 19.000 -0.450 0.000 0.821 555 A HN 0.463 nan 8.150 nan 0.000 0.443 556 F N -0.303 119.460 119.950 -0.313 0.000 2.161 556 F HA -0.211 4.331 4.527 0.025 0.000 0.300 556 F C 2.760 178.457 175.800 -0.172 0.000 1.089 556 F CA 1.080 58.870 58.000 -0.350 0.000 1.282 556 F CB -0.150 38.424 39.000 -0.710 0.000 1.010 556 F HN 0.160 nan 8.300 nan 0.000 0.485 557 R N -0.006 120.540 120.500 0.077 0.000 2.119 557 R HA -0.141 4.214 4.340 0.025 0.000 0.222 557 R C 2.099 178.436 176.300 0.062 0.000 1.088 557 R CA 0.947 57.083 56.100 0.060 0.000 0.984 557 R CB -0.371 29.961 30.300 0.053 0.000 0.884 557 R HN 0.369 nan 8.270 nan 0.000 0.447 558 Q N -0.309 119.557 119.800 0.109 0.000 2.245 558 Q HA -0.061 4.294 4.340 0.025 0.000 0.201 558 Q C -0.487 175.573 176.000 0.101 0.000 0.955 558 Q CA 0.939 56.810 55.803 0.113 0.000 0.870 558 Q CB 0.388 29.238 28.738 0.187 0.000 0.945 558 Q HN 0.173 nan 8.270 nan 0.000 0.461 559 Y N -0.050 120.231 120.300 -0.031 0.000 2.342 559 Y HA 0.271 4.835 4.550 0.023 0.000 0.338 559 Y C -1.798 174.077 175.900 -0.041 0.000 0.965 559 Y CA -2.887 55.196 58.100 -0.030 0.000 1.159 559 Y CB 1.472 39.920 38.460 -0.021 0.000 1.157 559 Y HN 0.096 nan 8.280 nan 0.000 0.486 560 P HA -0.184 nan 4.420 nan 0.000 0.215 560 P C 1.142 178.445 177.300 0.004 0.000 1.157 560 P CA 1.881 64.983 63.100 0.004 0.000 0.874 560 P CB 0.316 32.001 31.700 -0.024 0.000 0.790 561 R N -1.215 119.307 120.500 0.036 0.000 2.316 561 R HA 0.074 4.429 4.340 0.025 0.000 0.202 561 R C 0.528 176.814 176.300 -0.024 0.000 1.029 561 R CA 0.174 56.279 56.100 0.008 0.000 1.018 561 R CB -0.523 29.792 30.300 0.025 0.000 0.888 561 R HN 0.245 nan 8.270 nan 0.000 0.471 562 L N 1.903 123.132 121.223 0.010 0.000 2.282 562 L HA 0.121 4.476 4.340 0.025 0.000 0.287 562 L C 0.530 177.267 176.870 -0.222 0.000 1.075 562 L CA 0.157 54.954 54.840 -0.072 0.000 0.839 562 L CB 1.125 43.213 42.059 0.048 0.000 1.219 562 L HN 0.090 nan 8.230 nan 0.000 0.434 563 Q N 2.841 122.432 119.800 -0.348 0.000 2.201 563 Q HA 0.309 4.664 4.340 0.025 0.000 0.217 563 Q C 0.809 176.397 176.000 -0.686 0.000 0.860 563 Q CA 0.087 55.644 55.803 -0.411 0.000 0.984 563 Q CB 1.005 29.594 28.738 -0.248 0.000 1.095 563 Q HN 0.951 nan 8.270 nan 0.000 0.477 564 G N -0.368 107.625 108.800 -1.345 0.000 2.416 564 G HA2 0.106 4.081 3.960 0.025 0.000 0.203 564 G HA3 0.106 4.081 3.960 0.025 0.000 0.203 564 G C -0.306 173.754 174.900 -1.400 0.000 1.227 564 G CA -0.750 43.208 45.100 -1.904 0.000 1.041 564 G HN 0.570 nan 8.290 nan 0.000 0.546 565 G N -2.244 106.039 108.800 -0.861 0.000 2.349 565 G HA2 0.639 4.614 3.960 0.025 0.000 0.294 565 G HA3 0.639 4.614 3.960 0.025 0.000 0.294 565 G C -1.825 173.019 174.900 -0.093 0.000 1.380 565 G CA -0.291 44.546 45.100 -0.438 0.000 0.811 565 G HN 1.142 nan 8.290 nan 0.000 0.519 566 F N 0.833 121.031 119.950 0.412 0.000 2.403 566 F HA 0.507 5.048 4.527 0.023 0.000 0.355 566 F C 0.812 176.900 175.800 0.480 0.000 1.119 566 F CA -0.740 57.517 58.000 0.429 0.000 1.007 566 F CB 1.906 41.053 39.000 0.246 0.000 1.194 566 F HN 0.240 nan 8.300 nan 0.000 0.443 567 V N 3.376 123.571 119.914 0.468 0.000 2.901 567 V HA -0.165 3.970 4.120 0.025 0.000 0.307 567 V C -0.165 176.055 176.094 0.209 0.000 1.084 567 V CA -0.178 62.174 62.300 0.086 0.000 1.184 567 V CB 0.672 32.575 31.823 0.134 0.000 0.941 567 V HN 0.760 nan 8.190 nan 0.000 0.493 568 W N 6.608 127.987 121.300 0.131 0.000 2.278 568 W HA 0.442 5.116 4.660 0.024 0.000 0.317 568 W C -0.753 175.778 176.519 0.020 0.000 1.030 568 W CA -0.651 56.816 57.345 0.203 0.000 1.334 568 W CB 1.200 30.971 29.460 0.517 0.000 1.215 568 W HN 0.922 nan 8.180 nan 0.000 0.405 569 D N 2.695 122.762 120.400 -0.554 0.000 2.812 569 D HA 0.092 4.747 4.640 0.025 0.000 0.318 569 D C 0.703 176.759 176.300 -0.408 0.000 1.234 569 D CA -0.566 52.968 54.000 -0.778 0.000 0.989 569 D CB 0.179 39.957 40.800 -1.704 0.000 1.442 569 D HN 0.403 nan 8.370 nan 0.000 0.537 570 W N 0.407 121.385 121.300 -0.537 0.000 2.380 570 W HA 0.108 4.783 4.660 0.025 0.000 0.317 570 W C -0.071 176.226 176.519 -0.371 0.000 1.196 570 W CA 1.207 58.297 57.345 -0.426 0.000 1.307 570 W CB 0.302 29.541 29.460 -0.368 0.000 1.157 570 W HN 0.155 nan 8.180 nan 0.000 0.483 571 V N 2.689 122.358 119.914 -0.408 0.000 2.588 571 V HA 0.238 4.373 4.120 0.025 0.000 0.304 571 V C -0.850 175.063 176.094 -0.301 0.000 1.042 571 V CA -0.813 61.212 62.300 -0.459 0.000 0.877 571 V CB 1.454 33.114 31.823 -0.272 0.000 0.996 571 V HN -0.091 nan 8.190 nan 0.000 0.425 572 D N 4.238 124.465 120.400 -0.288 0.000 2.493 572 D HA 0.075 4.730 4.640 0.025 0.000 0.240 572 D C 0.302 176.464 176.300 -0.229 0.000 1.142 572 D CA 0.706 54.597 54.000 -0.181 0.000 0.872 572 D CB 0.886 41.668 40.800 -0.030 0.000 1.173 572 D HN 0.626 nan 8.370 nan 0.000 0.467 573 Q N 1.255 120.850 119.800 -0.341 0.000 3.247 573 Q HA 0.131 4.485 4.340 0.025 0.000 0.326 573 Q C -0.111 175.825 176.000 -0.106 0.000 1.402 573 Q CA -0.334 55.009 55.803 -0.767 0.000 0.994 573 Q CB 0.081 28.510 28.738 -0.516 0.000 1.647 573 Q HN 0.357 nan 8.270 nan 0.000 0.523 574 S N -0.150 115.613 115.700 0.106 0.000 2.616 574 S HA 0.634 5.119 4.470 0.025 0.000 0.277 574 S C -0.118 174.643 174.600 0.268 0.000 1.234 574 S CA -0.801 57.570 58.200 0.285 0.000 1.028 574 S CB 1.479 64.833 63.200 0.257 0.000 0.988 574 S HN 0.334 nan 8.310 nan 0.000 0.522 575 L N 1.664 122.957 121.223 0.117 0.000 2.342 575 L HA 0.520 4.875 4.340 0.025 0.000 0.271 575 L C -0.403 176.366 176.870 -0.168 0.000 1.008 575 L CA -1.198 53.587 54.840 -0.092 0.000 0.818 575 L CB 1.385 43.260 42.059 -0.306 0.000 1.296 575 L HN 0.548 nan 8.230 nan 0.000 0.427 576 I N 2.432 122.844 120.570 -0.264 0.000 2.441 576 I HA 0.244 4.429 4.170 0.025 0.000 0.287 576 I C 0.165 175.865 176.117 -0.695 0.000 1.049 576 I CA 0.025 61.036 61.300 -0.480 0.000 1.381 576 I CB 0.989 38.713 38.000 -0.459 0.000 1.409 576 I HN 0.581 nan 8.210 nan 0.000 0.523 577 K N 5.473 125.189 120.400 -1.140 0.000 2.350 577 K HA 0.576 4.911 4.320 0.025 0.000 0.241 577 K C -1.548 174.216 176.600 -1.393 0.000 0.994 577 K CA -0.700 54.806 56.287 -1.301 0.000 0.839 577 K CB 2.338 33.804 32.500 -1.723 0.000 1.244 577 K HN 0.263 nan 8.250 nan 0.000 0.443 578 Y N 0.810 120.857 120.300 -0.421 0.000 2.425 578 Y HA 0.123 4.688 4.550 0.025 0.000 0.344 578 Y C 0.117 176.105 175.900 0.146 0.000 0.969 578 Y CA -1.023 57.021 58.100 -0.092 0.000 1.052 578 Y CB 1.477 39.895 38.460 -0.070 0.000 1.215 578 Y HN 0.706 nan 8.280 nan 0.000 0.451 579 D N 0.267 120.919 120.400 0.422 0.000 2.440 579 D HA 0.026 4.681 4.640 0.025 0.000 0.269 579 D C 0.878 177.288 176.300 0.184 0.000 1.249 579 D CA -0.296 53.895 54.000 0.318 0.000 1.055 579 D CB 0.424 41.351 40.800 0.213 0.000 1.104 579 D HN 0.734 nan 8.370 nan 0.000 0.561 580 E N -0.369 119.899 120.200 0.114 0.000 2.070 580 E HA -0.272 4.092 4.350 0.025 0.000 0.197 580 E C 0.992 177.627 176.600 0.059 0.000 1.004 580 E CA 1.185 57.626 56.400 0.068 0.000 0.805 580 E CB -0.576 29.146 29.700 0.037 0.000 0.744 580 E HN 0.319 nan 8.360 nan 0.000 0.451 581 N N 0.437 119.177 118.700 0.066 0.000 2.521 581 N HA 0.030 4.785 4.740 0.025 0.000 0.188 581 N C 0.947 176.496 175.510 0.065 0.000 1.146 581 N CA 1.011 54.093 53.050 0.053 0.000 0.893 581 N CB 0.807 39.325 38.487 0.051 0.000 0.975 581 N HN 0.493 nan 8.380 nan 0.000 0.451 582 G N 0.240 109.099 108.800 0.099 0.000 2.159 582 G HA2 -0.260 3.715 3.960 0.025 0.000 0.256 582 G HA3 -0.260 3.715 3.960 0.025 0.000 0.256 582 G C -0.165 174.859 174.900 0.206 0.000 0.977 582 G CA -0.347 44.810 45.100 0.095 0.000 0.652 582 G HN 0.307 nan 8.290 nan 0.000 0.531 583 N N 1.765 120.600 118.700 0.225 0.000 2.518 583 N HA 0.460 5.215 4.740 0.025 0.000 0.283 583 N C -2.473 173.208 175.510 0.285 0.000 1.119 583 N CA -1.104 52.087 53.050 0.235 0.000 0.983 583 N CB 1.767 40.350 38.487 0.159 0.000 1.139 583 N HN 0.187 nan 8.380 nan 0.000 0.465 584 P HA 0.283 nan 4.420 nan 0.000 0.277 584 P C -0.529 176.747 177.300 -0.039 0.000 1.240 584 P CA -0.301 62.698 63.100 -0.169 0.000 0.798 584 P CB 0.747 32.338 31.700 -0.182 0.000 0.979 585 W N -1.089 119.978 121.300 -0.389 0.000 3.137 585 W HA 0.420 5.095 4.660 0.025 0.000 0.324 585 W C -1.623 174.708 176.519 -0.314 0.000 1.253 585 W CA -1.004 56.113 57.345 -0.379 0.000 1.183 585 W CB 0.336 29.342 29.460 -0.757 0.000 1.424 585 W HN 0.104 nan 8.180 nan 0.000 0.566 586 S N 1.592 117.363 115.700 0.118 0.000 2.465 586 S HA 0.607 5.092 4.470 0.025 0.000 0.279 586 S C 0.150 174.914 174.600 0.273 0.000 1.201 586 S CA -0.260 58.004 58.200 0.106 0.000 1.053 586 S CB 0.835 64.159 63.200 0.207 0.000 0.953 586 S HN 0.609 nan 8.310 nan 0.000 0.488 587 A N 3.176 126.015 122.820 0.032 0.000 2.320 587 A HA 0.876 5.211 4.320 0.025 0.000 0.334 587 A C -0.660 177.195 177.584 0.452 0.000 1.147 587 A CA -0.708 51.395 52.037 0.110 0.000 0.820 587 A CB 0.596 19.355 19.000 -0.402 0.000 1.218 587 A HN 0.843 nan 8.150 nan 0.000 0.482 588 Y N -0.585 120.048 120.300 0.554 0.000 3.048 588 Y HA 0.773 5.338 4.550 0.025 0.000 0.305 588 Y C 0.709 176.988 175.900 0.630 0.000 1.538 588 Y CA -1.335 57.093 58.100 0.546 0.000 1.082 588 Y CB -0.100 38.509 38.460 0.249 0.000 1.388 588 Y HN 0.887 nan 8.280 nan 0.000 0.557 589 G N -0.181 109.037 108.800 0.696 0.000 2.224 589 G HA2 0.358 4.333 3.960 0.025 0.000 0.239 589 G HA3 0.358 4.333 3.960 0.025 0.000 0.239 589 G C 0.961 176.184 174.900 0.539 0.000 1.240 589 G CA 0.449 45.873 45.100 0.540 0.000 0.896 589 G HN 1.964 nan 8.290 nan 0.000 0.496 590 G N 2.184 111.260 108.800 0.460 0.000 2.253 590 G HA2 -0.284 3.691 3.960 0.025 0.000 0.251 590 G HA3 -0.284 3.691 3.960 0.025 0.000 0.251 590 G C 0.910 176.009 174.900 0.332 0.000 0.998 590 G CA 0.666 45.976 45.100 0.350 0.000 0.621 590 G HN 0.647 nan 8.290 nan 0.000 0.524 591 D N -0.157 120.467 120.400 0.373 0.000 2.392 591 D HA 0.118 4.773 4.640 0.025 0.000 0.228 591 D C 1.149 177.332 176.300 -0.196 0.000 1.003 591 D CA 0.566 54.622 54.000 0.093 0.000 0.917 591 D CB -0.193 40.597 40.800 -0.018 0.000 0.890 591 D HN 0.476 nan 8.370 nan 0.000 0.532 592 F N -0.854 119.217 119.950 0.202 0.000 2.735 592 F HA 0.321 4.863 4.527 0.025 0.000 0.304 592 F C 1.756 177.640 175.800 0.140 0.000 1.119 592 F CA -0.280 57.799 58.000 0.132 0.000 1.280 592 F CB 0.765 39.839 39.000 0.124 0.000 0.994 592 F HN -0.053 nan 8.300 nan 0.000 0.520 593 G N 0.274 109.225 108.800 0.252 0.000 2.179 593 G HA2 -0.282 3.693 3.960 0.025 0.000 0.260 593 G HA3 -0.282 3.693 3.960 0.025 0.000 0.260 593 G C -0.144 174.889 174.900 0.223 0.000 0.977 593 G CA 0.175 45.395 45.100 0.200 0.000 0.641 593 G HN 0.410 nan 8.290 nan 0.000 0.533 594 D N 0.589 121.168 120.400 0.298 0.000 2.417 594 D HA 0.493 5.148 4.640 0.025 0.000 0.250 594 D C 0.130 176.545 176.300 0.191 0.000 1.166 594 D CA 0.961 55.120 54.000 0.265 0.000 0.881 594 D CB 1.566 42.578 40.800 0.353 0.000 1.164 594 D HN 0.392 nan 8.370 nan 0.000 0.467 595 T N 1.138 115.776 114.554 0.140 0.000 3.012 595 T HA 0.432 4.797 4.350 0.025 0.000 0.330 595 T C -2.759 171.977 174.700 0.061 0.000 1.321 595 T CA -1.140 61.015 62.100 0.092 0.000 1.067 595 T CB 1.164 70.087 68.868 0.092 0.000 1.235 595 T HN 0.219 nan 8.240 nan 0.000 0.479 596 P HA 0.509 nan 4.420 nan 0.000 0.273 596 P C -0.955 176.337 177.300 -0.013 0.000 1.250 596 P CA -0.347 62.755 63.100 0.003 0.000 0.793 596 P CB 0.332 32.010 31.700 -0.036 0.000 1.011 597 N N -2.049 116.637 118.700 -0.024 0.000 2.732 597 N HA 0.292 5.047 4.740 0.025 0.000 0.259 597 N C -1.163 174.280 175.510 -0.112 0.000 1.402 597 N CA -0.786 52.221 53.050 -0.071 0.000 0.829 597 N CB 0.766 39.304 38.487 0.086 0.000 1.495 597 N HN 0.071 nan 8.380 nan 0.000 0.511 598 D N -0.136 120.122 120.400 -0.235 0.000 2.738 598 D HA 0.129 4.784 4.640 0.025 0.000 0.246 598 D C 0.468 176.951 176.300 0.304 0.000 1.270 598 D CA -0.138 53.808 54.000 -0.090 0.000 0.833 598 D CB 0.075 40.667 40.800 -0.347 0.000 1.040 598 D HN 0.713 nan 8.370 nan 0.000 0.487 599 R N 0.822 121.512 120.500 0.316 0.000 3.587 599 R HA -0.332 4.023 4.340 0.025 0.000 0.556 599 R C 1.156 177.534 176.300 0.131 0.000 0.241 599 R CA 1.545 57.851 56.100 0.343 0.000 1.724 599 R CB -1.550 28.875 30.300 0.208 0.000 0.885 599 R HN 0.150 nan 8.270 nan 0.000 0.613 600 Q N 1.326 120.861 119.800 -0.441 0.000 2.482 600 Q HA -0.025 4.329 4.340 0.025 0.000 0.209 600 Q C 1.627 177.380 176.000 -0.411 0.000 0.961 600 Q CA 1.415 56.759 55.803 -0.766 0.000 0.945 600 Q CB -0.018 28.057 28.738 -1.105 0.000 1.012 600 Q HN 0.615 nan 8.270 nan 0.000 0.515 601 F N 1.563 121.456 119.950 -0.094 0.000 2.664 601 F HA -0.110 4.432 4.527 0.025 0.000 0.297 601 F C 2.100 177.860 175.800 -0.066 0.000 1.164 601 F CA 0.921 58.935 58.000 0.023 0.000 1.472 601 F CB -0.117 38.956 39.000 0.121 0.000 1.108 601 F HN 0.400 nan 8.300 nan 0.000 0.596 602 C N -1.561 117.494 119.300 -0.407 0.000 2.618 602 C HA 0.240 4.715 4.460 0.025 0.000 0.264 602 C C 1.013 175.828 174.990 -0.292 0.000 1.334 602 C CA -0.500 58.093 59.018 -0.709 0.000 1.731 602 C CB -1.535 25.270 27.740 -1.559 0.000 1.852 602 C HN 0.181 nan 8.230 nan 0.000 0.566 603 M N 2.728 122.207 119.600 -0.201 0.000 2.060 603 M HA 0.279 4.774 4.480 0.025 0.000 0.342 603 M C -0.481 175.739 176.300 -0.134 0.000 1.031 603 M CA 0.348 55.568 55.300 -0.134 0.000 0.981 603 M CB -0.053 32.496 32.600 -0.084 0.000 1.376 603 M HN 0.379 nan 8.290 nan 0.000 0.397 604 N N 0.838 119.460 118.700 -0.131 0.000 2.305 604 N HA 0.203 4.958 4.740 0.025 0.000 0.248 604 N C 0.359 175.692 175.510 -0.295 0.000 1.290 604 N CA -0.553 52.379 53.050 -0.197 0.000 0.873 604 N CB 1.227 39.675 38.487 -0.065 0.000 1.261 604 N HN 0.639 nan 8.380 nan 0.000 0.504 605 G N 0.030 108.619 108.800 -0.352 0.000 2.504 605 G HA2 0.350 4.325 3.960 0.025 0.000 0.288 605 G HA3 0.350 4.325 3.960 0.025 0.000 0.288 605 G C 0.741 175.167 174.900 -0.790 0.000 1.182 605 G CA -0.547 44.227 45.100 -0.543 0.000 0.894 605 G HN 0.096 nan 8.290 nan 0.000 0.521 606 L N -0.001 120.763 121.223 -0.765 0.000 2.217 606 L HA 0.090 4.445 4.340 0.025 0.000 0.211 606 L C 1.074 177.307 176.870 -1.062 0.000 1.107 606 L CA 0.506 54.894 54.840 -0.754 0.000 0.783 606 L CB -0.331 41.417 42.059 -0.519 0.000 0.919 606 L HN 0.406 nan 8.230 nan 0.000 0.442 607 V N -4.757 114.437 119.914 -1.200 0.000 2.864 607 V HA 0.463 4.598 4.120 0.025 0.000 0.314 607 V C -0.177 175.472 176.094 -0.741 0.000 1.073 607 V CA -1.276 60.466 62.300 -0.930 0.000 0.956 607 V CB 1.571 32.901 31.823 -0.820 0.000 1.023 607 V HN -0.135 nan 8.190 nan 0.000 0.435 608 F N 1.651 121.490 119.950 -0.185 0.000 2.435 608 F HA 0.554 5.096 4.527 0.025 0.000 0.316 608 F C 1.978 177.716 175.800 -0.103 0.000 1.220 608 F CA 0.569 58.577 58.000 0.013 0.000 1.241 608 F CB 0.790 39.818 39.000 0.045 0.000 1.234 608 F HN 0.780 nan 8.300 nan 0.000 0.569 609 A N 0.728 123.652 122.820 0.173 0.000 1.986 609 A HA -0.246 4.088 4.320 0.025 0.000 0.220 609 A C 1.612 179.185 177.584 -0.019 0.000 1.171 609 A CA 2.021 54.105 52.037 0.079 0.000 0.640 609 A CB -1.010 18.069 19.000 0.131 0.000 0.811 609 A HN 0.800 nan 8.150 nan 0.000 0.451 610 D N -3.087 117.317 120.400 0.007 0.000 2.319 610 D HA 0.158 4.813 4.640 0.025 0.000 0.230 610 D C 0.674 176.969 176.300 -0.008 0.000 1.094 610 D CA 0.052 54.025 54.000 -0.044 0.000 0.856 610 D CB -0.036 40.735 40.800 -0.049 0.000 0.915 610 D HN 0.237 nan 8.370 nan 0.000 0.517 611 R N -2.040 118.459 120.500 -0.002 0.000 3.728 611 R HA -0.124 4.231 4.340 0.025 0.000 0.478 611 R C -0.130 176.181 176.300 0.017 0.000 0.932 611 R CA 1.153 57.248 56.100 -0.008 0.000 1.317 611 R CB -3.168 27.164 30.300 0.054 0.000 1.987 611 R HN 0.267 nan 8.270 nan 0.000 0.509 612 T N 2.788 117.393 114.554 0.085 0.000 2.916 612 T HA 0.351 4.716 4.350 0.025 0.000 0.303 612 T C -2.304 172.513 174.700 0.196 0.000 1.025 612 T CA -0.653 61.525 62.100 0.130 0.000 1.142 612 T CB 1.031 69.971 68.868 0.121 0.000 0.947 612 T HN -0.086 nan 8.240 nan 0.000 0.544 613 P HA 0.222 nan 4.420 nan 0.000 0.277 613 P C -0.164 177.205 177.300 0.115 0.000 1.240 613 P CA -0.351 62.758 63.100 0.014 0.000 0.798 613 P CB 0.484 32.187 31.700 0.006 0.000 0.979 614 H N 2.094 121.006 119.070 -0.264 0.000 2.508 614 H HA 0.133 4.704 4.556 0.025 0.000 0.358 614 H C -1.267 173.960 175.328 -0.167 0.000 1.212 614 H CA -1.943 53.905 56.048 -0.333 0.000 1.356 614 H CB 0.388 29.905 29.762 -0.408 0.000 1.525 614 H HN 0.335 nan 8.280 nan 0.000 0.578 615 P HA -0.145 nan 4.420 nan 0.000 0.220 615 P C 1.123 178.423 177.300 -0.000 0.000 1.148 615 P CA 1.296 64.390 63.100 -0.010 0.000 0.803 615 P CB 0.006 31.698 31.700 -0.013 0.000 0.782 616 A N -0.394 122.426 122.820 0.000 0.000 2.024 616 A HA -0.180 4.155 4.320 0.025 0.000 0.220 616 A C 2.078 179.602 177.584 -0.099 0.000 1.164 616 A CA 1.219 53.216 52.037 -0.067 0.000 0.643 616 A CB -1.591 17.345 19.000 -0.107 0.000 0.806 616 A HN 0.164 nan 8.150 nan 0.000 0.451 617 L N -0.510 120.669 121.223 -0.073 0.000 2.079 617 L HA -0.137 4.218 4.340 0.025 0.000 0.210 617 L C 2.537 179.440 176.870 0.056 0.000 1.081 617 L CA 2.702 57.533 54.840 -0.015 0.000 0.752 617 L CB -0.911 41.135 42.059 -0.021 0.000 0.896 617 L HN 0.392 nan 8.230 nan 0.000 0.433 618 T N -1.797 112.797 114.554 0.066 0.000 2.867 618 T HA -0.184 4.181 4.350 0.025 0.000 0.268 618 T C 1.800 176.603 174.700 0.171 0.000 1.057 618 T CA 1.362 63.555 62.100 0.155 0.000 1.136 618 T CB -0.117 68.826 68.868 0.125 0.000 0.874 618 T HN 0.475 nan 8.240 nan 0.000 0.466 619 E N 0.782 121.023 120.200 0.068 0.000 2.072 619 E HA 0.059 4.424 4.350 0.025 0.000 0.191 619 E C 2.174 178.779 176.600 0.009 0.000 0.985 619 E CA 1.343 57.788 56.400 0.075 0.000 0.801 619 E CB -0.601 29.110 29.700 0.018 0.000 0.750 619 E HN 0.544 nan 8.360 nan 0.000 0.452 620 A N 1.012 123.720 122.820 -0.185 0.000 1.877 620 A HA -0.227 4.108 4.320 0.025 0.000 0.216 620 A C 2.170 179.638 177.584 -0.194 0.000 1.186 620 A CA 1.913 53.778 52.037 -0.286 0.000 0.620 620 A CB -0.649 18.197 19.000 -0.257 0.000 0.822 620 A HN 0.261 nan 8.150 nan 0.000 0.443 621 K N -1.286 119.081 120.400 -0.055 0.000 2.044 621 K HA -0.306 4.029 4.320 0.025 0.000 0.210 621 K C 2.071 178.592 176.600 -0.132 0.000 1.049 621 K CA 2.120 58.394 56.287 -0.022 0.000 0.927 621 K CB -0.348 32.297 32.500 0.242 0.000 0.713 621 K HN 0.654 nan 8.250 nan 0.000 0.443 622 H N 0.377 119.293 119.070 -0.257 0.000 2.326 622 H HA -0.031 4.541 4.556 0.025 0.000 0.301 622 H C 1.961 177.029 175.328 -0.433 0.000 1.081 622 H CA 1.809 57.513 56.048 -0.573 0.000 1.334 622 H CB 0.070 29.549 29.762 -0.471 0.000 1.385 622 H HN 0.238 nan 8.280 nan 0.000 0.504 623 Q N 0.179 119.756 119.800 -0.371 0.000 2.224 623 Q HA -0.084 4.271 4.340 0.025 0.000 0.203 623 Q C 1.426 176.895 176.000 -0.885 0.000 0.970 623 Q CA 1.108 56.599 55.803 -0.519 0.000 0.865 623 Q CB 0.075 28.650 28.738 -0.272 0.000 0.922 623 Q HN 0.709 nan 8.270 nan 0.000 0.445 624 Q N 0.150 119.396 119.800 -0.923 0.000 2.280 624 Q HA 0.090 4.445 4.340 0.025 0.000 0.202 624 Q C -0.103 175.354 176.000 -0.905 0.000 0.903 624 Q CA -0.224 54.883 55.803 -1.160 0.000 0.948 624 Q CB 0.365 28.453 28.738 -1.083 0.000 1.058 624 Q HN 0.365 nan 8.270 nan 0.000 0.493 625 Q N -0.486 118.936 119.800 -0.630 0.000 2.428 625 Q HA -0.044 4.311 4.340 0.025 0.000 0.276 625 Q C -0.122 175.542 176.000 -0.561 0.000 1.059 625 Q CA 0.456 56.027 55.803 -0.387 0.000 0.923 625 Q CB 0.460 29.043 28.738 -0.259 0.000 1.283 625 Q HN 0.306 nan 8.270 nan 0.000 0.447 626 F N 0.189 119.918 119.950 -0.369 0.000 2.727 626 F HA 0.239 4.781 4.527 0.024 0.000 0.302 626 F C -0.173 175.072 175.800 -0.926 0.000 1.097 626 F CA -0.023 57.523 58.000 -0.756 0.000 1.330 626 F CB 0.566 38.807 39.000 -1.265 0.000 1.084 626 F HN 0.292 nan 8.300 nan 0.000 0.578 627 F N 0.397 120.277 119.950 -0.118 0.000 2.529 627 F HA 0.488 5.031 4.527 0.026 0.000 0.320 627 F C -0.106 175.353 175.800 -0.568 0.000 1.118 627 F CA -1.089 56.737 58.000 -0.290 0.000 0.915 627 F CB 1.352 40.219 39.000 -0.222 0.000 1.161 627 F HN -0.337 nan 8.300 nan 0.000 0.445 628 Q N 3.096 122.635 119.800 -0.435 0.000 2.306 628 Q HA 0.585 4.940 4.340 0.025 0.000 0.265 628 Q C -1.295 174.381 176.000 -0.539 0.000 1.022 628 Q CA -0.609 54.967 55.803 -0.378 0.000 0.853 628 Q CB 2.765 31.413 28.738 -0.149 0.000 1.327 628 Q HN 0.553 nan 8.270 nan 0.000 0.449 629 F N 0.068 120.151 119.950 0.221 0.000 2.588 629 F HA 0.615 5.157 4.527 0.026 0.000 0.314 629 F C 0.338 176.364 175.800 0.377 0.000 1.069 629 F CA -0.858 57.339 58.000 0.328 0.000 0.931 629 F CB 2.179 41.510 39.000 0.551 0.000 1.260 629 F HN 0.149 nan 8.300 nan 0.000 0.465 630 R N 1.256 122.034 120.500 0.463 0.000 2.771 630 R HA 0.718 5.073 4.340 0.025 0.000 0.274 630 R C -2.052 174.267 176.300 0.032 0.000 0.987 630 R CA -1.225 55.064 56.100 0.316 0.000 0.908 630 R CB 2.942 33.341 30.300 0.165 0.000 1.213 630 R HN 0.564 nan 8.270 nan 0.000 0.468 631 L N 0.571 121.693 121.223 -0.169 0.000 2.362 631 L HA 0.581 4.936 4.340 0.025 0.000 0.275 631 L C -1.114 175.596 176.870 -0.266 0.000 0.998 631 L CA 0.085 54.623 54.840 -0.504 0.000 0.820 631 L CB 2.142 43.468 42.059 -1.223 0.000 1.270 631 L HN 0.539 nan 8.230 nan 0.000 0.415 632 S N 3.800 119.365 115.700 -0.225 0.000 2.673 632 S HA 0.660 5.144 4.470 0.025 0.000 0.256 632 S C 0.299 174.806 174.600 -0.154 0.000 1.141 632 S CA 0.237 58.349 58.200 -0.147 0.000 1.109 632 S CB 0.194 63.343 63.200 -0.085 0.000 1.101 632 S HN 1.617 nan 8.310 nan 0.000 0.471 633 G N 4.540 113.246 108.800 -0.156 0.000 2.601 633 G HA2 -0.361 3.614 3.960 0.025 0.000 0.306 633 G HA3 -0.361 3.614 3.960 0.025 0.000 0.306 633 G C 0.582 175.370 174.900 -0.187 0.000 1.172 633 G CA 0.983 45.996 45.100 -0.146 0.000 0.966 633 G HN 0.712 nan 8.290 nan 0.000 0.542 634 Q N 1.362 121.059 119.800 -0.172 0.000 2.319 634 Q HA 0.343 4.698 4.340 0.025 0.000 0.202 634 Q C 0.711 176.573 176.000 -0.229 0.000 0.896 634 Q CA 1.048 56.726 55.803 -0.208 0.000 0.942 634 Q CB 0.314 28.953 28.738 -0.165 0.000 1.083 634 Q HN 0.623 nan 8.270 nan 0.000 0.510 635 T N 0.338 114.773 114.554 -0.198 0.000 2.767 635 T HA 0.514 4.879 4.350 0.025 0.000 0.288 635 T C -0.131 174.442 174.700 -0.213 0.000 0.963 635 T CA -0.356 61.639 62.100 -0.176 0.000 1.019 635 T CB 0.980 69.779 68.868 -0.115 0.000 0.923 635 T HN 0.047 nan 8.240 nan 0.000 0.468 636 I N 2.743 123.202 120.570 -0.185 0.000 2.354 636 I HA 0.319 4.503 4.170 0.025 0.000 0.292 636 I C 0.375 176.487 176.117 -0.007 0.000 0.989 636 I CA -0.573 60.638 61.300 -0.149 0.000 1.188 636 I CB 1.504 39.427 38.000 -0.127 0.000 1.342 636 I HN 0.610 nan 8.210 nan 0.000 0.457 637 E N 6.766 126.997 120.200 0.052 0.000 2.145 637 E HA 0.466 4.831 4.350 0.025 0.000 0.270 637 E C -1.606 175.092 176.600 0.162 0.000 0.906 637 E CA -0.612 55.840 56.400 0.088 0.000 0.761 637 E CB 1.682 31.417 29.700 0.058 0.000 1.116 637 E HN 0.346 nan 8.360 nan 0.000 0.408 638 V N 4.110 124.109 119.914 0.141 0.000 2.398 638 V HA 0.344 4.478 4.120 0.025 0.000 0.286 638 V C -0.013 176.115 176.094 0.057 0.000 1.026 638 V CA -0.486 61.871 62.300 0.095 0.000 0.868 638 V CB 1.695 33.607 31.823 0.149 0.000 0.982 638 V HN 0.721 nan 8.190 nan 0.000 0.443 639 T N 3.189 117.739 114.554 -0.007 0.000 2.829 639 T HA 0.354 4.719 4.350 0.025 0.000 0.280 639 T C -0.144 174.579 174.700 0.039 0.000 0.999 639 T CA -0.288 61.823 62.100 0.020 0.000 0.983 639 T CB 1.650 70.503 68.868 -0.026 0.000 0.968 639 T HN 0.663 nan 8.240 nan 0.000 0.446 640 S N 1.484 117.215 115.700 0.052 0.000 2.499 640 S HA 0.227 4.712 4.470 0.025 0.000 0.279 640 S C 0.792 175.278 174.600 -0.190 0.000 1.219 640 S CA -0.532 57.633 58.200 -0.059 0.000 1.062 640 S CB 0.584 63.813 63.200 0.050 0.000 0.978 640 S HN 0.725 nan 8.310 nan 0.000 0.489 641 E N 2.934 122.906 120.200 -0.380 0.000 2.481 641 E HA 0.085 4.449 4.350 0.025 0.000 0.198 641 E C -0.714 175.693 176.600 -0.322 0.000 1.027 641 E CA -0.107 56.103 56.400 -0.317 0.000 0.900 641 E CB 0.276 29.774 29.700 -0.338 0.000 0.993 641 E HN 0.695 nan 8.360 nan 0.000 0.482 642 Y N 0.525 120.705 120.300 -0.200 0.000 2.497 642 Y HA -0.052 4.512 4.550 0.024 0.000 0.334 642 Y C 1.461 177.191 175.900 -0.283 0.000 1.199 642 Y CA 0.175 58.152 58.100 -0.204 0.000 1.425 642 Y CB 0.680 39.006 38.460 -0.223 0.000 1.291 642 Y HN -0.016 nan 8.280 nan 0.000 0.562 643 L N 1.440 122.487 121.223 -0.294 0.000 2.408 643 L HA 0.048 4.403 4.340 0.025 0.000 0.215 643 L C 0.719 177.173 176.870 -0.693 0.000 1.081 643 L CA 0.693 55.118 54.840 -0.691 0.000 0.840 643 L CB 0.011 41.265 42.059 -1.342 0.000 1.002 643 L HN 0.674 nan 8.230 nan 0.000 0.468 644 F N -0.630 119.330 119.950 0.016 0.000 2.577 644 F HA 0.198 4.739 4.527 0.023 0.000 0.282 644 F C 1.268 177.052 175.800 -0.025 0.000 0.957 644 F CA -0.827 57.161 58.000 -0.020 0.000 1.168 644 F CB 0.329 39.302 39.000 -0.045 0.000 0.958 644 F HN -0.168 nan 8.300 nan 0.000 0.702 645 R N 0.879 121.431 120.500 0.086 0.000 2.500 645 R HA 0.358 4.712 4.340 0.025 0.000 0.277 645 R C -0.606 175.675 176.300 -0.033 0.000 1.026 645 R CA -0.534 55.564 56.100 -0.003 0.000 1.058 645 R CB 0.593 30.783 30.300 -0.183 0.000 1.078 645 R HN 0.142 nan 8.270 nan 0.000 0.509 646 H N 0.463 119.527 119.070 -0.009 0.000 2.547 646 H HA 0.050 4.621 4.556 0.025 0.000 0.362 646 H C 0.181 175.533 175.328 0.040 0.000 1.181 646 H CA 0.094 56.167 56.048 0.042 0.000 1.376 646 H CB 1.585 31.377 29.762 0.050 0.000 1.488 646 H HN 0.765 nan 8.280 nan 0.000 0.583 647 S N 1.029 116.873 115.700 0.240 0.000 4.175 647 S HA -0.056 4.429 4.470 0.025 0.000 0.193 647 S C 0.396 175.098 174.600 0.170 0.000 1.373 647 S CA -0.679 57.673 58.200 0.253 0.000 0.908 647 S CB -0.731 62.671 63.200 0.337 0.000 1.547 647 S HN 0.581 nan 8.310 nan 0.000 0.440 648 D N 0.750 121.224 120.400 0.125 0.000 2.319 648 D HA 0.034 4.689 4.640 0.025 0.000 0.230 648 D C 0.335 176.675 176.300 0.068 0.000 1.094 648 D CA -0.194 53.859 54.000 0.087 0.000 0.856 648 D CB -0.336 40.501 40.800 0.062 0.000 0.915 648 D HN 0.504 nan 8.370 nan 0.000 0.517 649 N N 0.012 118.763 118.700 0.085 0.000 2.620 649 N HA 0.143 4.898 4.740 0.025 0.000 0.277 649 N C -1.555 174.019 175.510 0.106 0.000 1.726 649 N CA -0.181 52.914 53.050 0.076 0.000 0.840 649 N CB 0.315 38.839 38.487 0.061 0.000 1.379 649 N HN -0.045 nan 8.380 nan 0.000 0.506 650 E N 0.056 120.312 120.200 0.094 0.000 2.352 650 E HA 0.515 4.880 4.350 0.025 0.000 0.280 650 E C -1.337 175.297 176.600 0.056 0.000 0.930 650 E CA -0.723 55.728 56.400 0.085 0.000 0.765 650 E CB 2.281 32.012 29.700 0.052 0.000 1.219 650 E HN 0.292 nan 8.360 nan 0.000 0.434 651 L N 0.758 122.019 121.223 0.063 0.000 2.422 651 L HA 0.696 5.051 4.340 0.025 0.000 0.264 651 L C -1.592 175.339 176.870 0.103 0.000 0.984 651 L CA -1.179 53.706 54.840 0.075 0.000 0.819 651 L CB 1.467 43.574 42.059 0.080 0.000 1.330 651 L HN 0.574 nan 8.230 nan 0.000 0.410 652 L N 3.685 124.983 121.223 0.125 0.000 2.264 652 L HA 0.439 4.794 4.340 0.025 0.000 0.289 652 L C -0.425 176.581 176.870 0.226 0.000 1.044 652 L CA -0.004 54.944 54.840 0.180 0.000 0.807 652 L CB 0.567 42.741 42.059 0.191 0.000 1.192 652 L HN 0.680 nan 8.230 nan 0.000 0.425 653 H N 6.296 125.443 119.070 0.128 0.000 2.459 653 H HA 0.329 4.900 4.556 0.025 0.000 0.332 653 H C -1.610 173.802 175.328 0.140 0.000 1.094 653 H CA -0.613 55.465 56.048 0.052 0.000 1.224 653 H CB 0.944 30.698 29.762 -0.014 0.000 1.449 653 H HN 0.751 nan 8.280 nan 0.000 0.484 654 W N 5.261 126.221 121.300 -0.566 0.000 2.864 654 W HA 0.540 5.215 4.660 0.025 0.000 0.343 654 W C -1.930 174.370 176.519 -0.365 0.000 1.109 654 W CA -1.299 55.869 57.345 -0.294 0.000 1.192 654 W CB 1.465 30.852 29.460 -0.122 0.000 1.426 654 W HN 0.514 nan 8.180 nan 0.000 0.529 655 M N 3.240 122.952 119.600 0.187 0.000 2.322 655 M HA 0.557 5.052 4.480 0.025 0.000 0.285 655 M C -2.636 173.840 176.300 0.294 0.000 1.119 655 M CA -0.903 54.439 55.300 0.071 0.000 0.953 655 M CB 1.623 34.225 32.600 0.003 0.000 1.701 655 M HN 0.191 nan 8.290 nan 0.000 0.479 656 V N 4.087 124.179 119.914 0.296 0.000 2.417 656 V HA 1.012 5.147 4.120 0.025 0.000 0.291 656 V C -0.279 175.924 176.094 0.181 0.000 1.024 656 V CA -0.108 62.356 62.300 0.274 0.000 0.861 656 V CB 1.172 33.169 31.823 0.289 0.000 0.985 656 V HN 1.110 nan 8.190 nan 0.000 0.436 657 A N 4.688 127.623 122.820 0.191 0.000 2.435 657 A HA 0.883 5.218 4.320 0.025 0.000 0.304 657 A C -1.364 176.334 177.584 0.191 0.000 1.064 657 A CA -0.630 51.489 52.037 0.138 0.000 0.727 657 A CB 1.691 20.735 19.000 0.073 0.000 1.284 657 A HN 0.852 nan 8.150 nan 0.000 0.415 658 L N 1.574 122.880 121.223 0.138 0.000 2.276 658 L HA 0.529 4.884 4.340 0.025 0.000 0.286 658 L C -0.605 176.362 176.870 0.163 0.000 1.024 658 L CA 0.256 55.193 54.840 0.161 0.000 0.826 658 L CB 0.222 42.343 42.059 0.104 0.000 1.211 658 L HN 0.752 nan 8.230 nan 0.000 0.422 659 D N 4.698 125.264 120.400 0.277 0.000 2.686 659 D HA -0.205 4.450 4.640 0.025 0.000 0.235 659 D C 1.159 177.494 176.300 0.058 0.000 1.160 659 D CA 1.464 55.609 54.000 0.242 0.000 0.645 659 D CB -1.118 39.792 40.800 0.184 0.000 1.039 659 D HN 1.196 nan 8.370 nan 0.000 0.423 660 G N -0.764 108.027 108.800 -0.014 0.000 2.284 660 G HA2 -0.375 3.600 3.960 0.025 0.000 0.247 660 G HA3 -0.375 3.600 3.960 0.025 0.000 0.247 660 G C 0.287 175.107 174.900 -0.132 0.000 1.012 660 G CA 0.562 45.545 45.100 -0.194 0.000 0.618 660 G HN 0.494 nan 8.290 nan 0.000 0.521 661 K N 2.103 122.477 120.400 -0.044 0.000 2.248 661 K HA 0.492 4.827 4.320 0.025 0.000 0.281 661 K C -2.622 173.973 176.600 -0.007 0.000 1.054 661 K CA -1.928 54.338 56.287 -0.035 0.000 0.903 661 K CB 1.632 34.128 32.500 -0.008 0.000 1.077 661 K HN 0.066 nan 8.250 nan 0.000 0.474 662 P HA -0.075 nan 4.420 nan 0.000 0.264 662 P C -0.109 177.199 177.300 0.013 0.000 1.193 662 P CA 0.005 63.099 63.100 -0.009 0.000 0.763 662 P CB 0.664 32.341 31.700 -0.038 0.000 0.810 663 L N 2.012 123.260 121.223 0.042 0.000 2.547 663 L HA 0.536 4.891 4.340 0.025 0.000 0.218 663 L C 0.317 177.223 176.870 0.060 0.000 1.048 663 L CA 0.726 55.599 54.840 0.055 0.000 0.859 663 L CB 0.228 42.336 42.059 0.081 0.000 1.128 663 L HN 0.442 nan 8.230 nan 0.000 0.483 664 A N -0.753 122.110 122.820 0.072 0.000 2.583 664 A HA 0.588 4.923 4.320 0.025 0.000 0.292 664 A C -0.952 176.559 177.584 -0.121 0.000 1.045 664 A CA 0.264 52.332 52.037 0.052 0.000 0.672 664 A CB 1.122 20.250 19.000 0.215 0.000 1.283 664 A HN 0.263 nan 8.150 nan 0.000 0.419 665 S N -0.838 114.521 115.700 -0.568 0.000 2.636 665 S HA 0.969 5.454 4.470 0.025 0.000 0.266 665 S C -0.205 173.382 174.600 -1.689 0.000 1.147 665 S CA 0.046 57.350 58.200 -1.492 0.000 0.815 665 S CB 0.871 63.635 63.200 -0.728 0.000 1.119 665 S HN 2.713 nan 8.310 nan 0.000 0.470 666 G N -0.237 107.294 108.800 -2.116 0.000 2.488 666 G HA2 0.622 4.597 3.960 0.025 0.000 0.301 666 G HA3 0.622 4.597 3.960 0.025 0.000 0.301 666 G C -2.316 172.140 174.900 -0.740 0.000 1.339 666 G CA -0.477 44.041 45.100 -0.971 0.000 0.803 666 G HN 1.111 nan 8.290 nan 0.000 0.482 667 E N -1.211 118.920 120.200 -0.116 0.000 2.356 667 E HA 0.671 5.036 4.350 0.025 0.000 0.275 667 E C -1.755 174.940 176.600 0.158 0.000 0.904 667 E CA -0.976 55.463 56.400 0.065 0.000 0.757 667 E CB 2.605 32.375 29.700 0.116 0.000 1.232 667 E HN 0.508 nan 8.360 nan 0.000 0.442 668 V N 1.727 121.747 119.914 0.177 0.000 2.686 668 V HA 0.417 4.551 4.120 0.025 0.000 0.306 668 V C -2.455 173.708 176.094 0.114 0.000 1.065 668 V CA -1.854 60.535 62.300 0.148 0.000 0.894 668 V CB 2.017 33.938 31.823 0.163 0.000 1.004 668 V HN 0.661 nan 8.190 nan 0.000 0.424 669 P HA 0.290 nan 4.420 nan 0.000 0.275 669 P C -0.815 176.529 177.300 0.073 0.000 1.227 669 P CA -0.186 62.959 63.100 0.075 0.000 0.781 669 P CB 1.045 32.783 31.700 0.064 0.000 0.906 670 L N 2.854 124.113 121.223 0.061 0.000 2.292 670 L HA 0.308 4.662 4.340 0.025 0.000 0.284 670 L C 0.407 177.327 176.870 0.085 0.000 1.065 670 L CA 0.115 54.985 54.840 0.051 0.000 0.806 670 L CB 0.887 42.934 42.059 -0.021 0.000 1.175 670 L HN 0.388 nan 8.230 nan 0.000 0.431 671 D N 3.397 123.861 120.400 0.107 0.000 2.517 671 D HA 0.302 4.957 4.640 0.025 0.000 0.263 671 D C -1.271 175.138 176.300 0.183 0.000 1.233 671 D CA -0.182 53.906 54.000 0.145 0.000 0.849 671 D CB 0.882 41.751 40.800 0.116 0.000 1.261 671 D HN 0.039 nan 8.370 nan 0.000 0.516 672 V N 1.235 121.273 119.914 0.205 0.000 2.495 672 V HA 0.860 4.994 4.120 0.025 0.000 0.298 672 V C 0.928 177.046 176.094 0.040 0.000 1.031 672 V CA -1.204 61.197 62.300 0.168 0.000 0.871 672 V CB 1.248 33.204 31.823 0.221 0.000 0.988 672 V HN 0.546 nan 8.190 nan 0.000 0.432 673 A N 6.522 129.247 122.820 -0.158 0.000 2.366 673 A HA 0.645 4.980 4.320 0.025 0.000 0.249 673 A C -2.212 175.151 177.584 -0.369 0.000 1.084 673 A CA -1.357 50.191 52.037 -0.815 0.000 0.794 673 A CB -0.262 18.537 19.000 -0.335 0.000 1.034 673 A HN 0.702 nan 8.150 nan 0.000 0.491 674 P HA -0.008 nan 4.420 nan 0.000 0.262 674 P C -0.387 176.844 177.300 -0.114 0.000 1.182 674 P CA 0.667 63.681 63.100 -0.145 0.000 0.761 674 P CB 0.580 32.205 31.700 -0.124 0.000 0.795 675 Q N -0.989 118.757 119.800 -0.090 0.000 2.305 675 Q HA -0.170 4.185 4.340 0.025 0.000 0.203 675 Q C 0.827 176.799 176.000 -0.046 0.000 0.663 675 Q CA 1.943 57.700 55.803 -0.077 0.000 1.389 675 Q CB -2.533 26.159 28.738 -0.078 0.000 1.566 675 Q HN 0.763 nan 8.270 nan 0.000 0.755 676 G N 0.140 108.919 108.800 -0.035 0.000 2.543 676 G HA2 0.536 4.511 3.960 0.025 0.000 0.290 676 G HA3 0.536 4.511 3.960 0.025 0.000 0.290 676 G C -0.203 174.713 174.900 0.027 0.000 1.310 676 G CA -0.485 44.613 45.100 -0.003 0.000 1.025 676 G HN -0.005 nan 8.290 nan 0.000 0.502 677 K N -0.784 119.639 120.400 0.039 0.000 2.443 677 K HA 0.452 4.787 4.320 0.025 0.000 0.251 677 K C -1.036 175.603 176.600 0.064 0.000 0.972 677 K CA -0.619 55.699 56.287 0.052 0.000 0.833 677 K CB 2.582 35.104 32.500 0.036 0.000 1.317 677 K HN 0.545 nan 8.250 nan 0.000 0.441 678 Q N 2.777 122.621 119.800 0.073 0.000 2.305 678 Q HA 0.395 4.750 4.340 0.025 0.000 0.271 678 Q C -1.611 174.425 176.000 0.060 0.000 1.046 678 Q CA -0.656 55.190 55.803 0.071 0.000 0.798 678 Q CB 1.342 30.132 28.738 0.087 0.000 1.286 678 Q HN 0.524 nan 8.270 nan 0.000 0.435 679 L N 4.768 126.015 121.223 0.040 0.000 2.307 679 L HA 0.576 4.931 4.340 0.025 0.000 0.282 679 L C -0.394 176.483 176.870 0.012 0.000 1.051 679 L CA -0.750 54.102 54.840 0.020 0.000 0.804 679 L CB 1.271 43.331 42.059 0.002 0.000 1.197 679 L HN 0.613 nan 8.230 nan 0.000 0.431 680 I N 2.281 122.845 120.570 -0.009 0.000 2.439 680 I HA 0.223 4.407 4.170 0.025 0.000 0.285 680 I C -0.433 175.626 176.117 -0.097 0.000 1.021 680 I CA -0.514 60.767 61.300 -0.032 0.000 1.091 680 I CB 2.210 40.202 38.000 -0.012 0.000 1.242 680 I HN 0.530 nan 8.210 nan 0.000 0.439 681 E N 6.404 126.549 120.200 -0.092 0.000 2.167 681 E HA 0.420 4.785 4.350 0.025 0.000 0.284 681 E C -0.854 175.624 176.600 -0.204 0.000 1.016 681 E CA -0.267 56.053 56.400 -0.133 0.000 0.817 681 E CB 0.910 30.557 29.700 -0.090 0.000 1.080 681 E HN 0.403 nan 8.360 nan 0.000 0.397 682 L N 6.273 127.312 121.223 -0.306 0.000 2.436 682 L HA 0.369 4.724 4.340 0.025 0.000 0.265 682 L C -1.772 174.925 176.870 -0.289 0.000 1.168 682 L CA -1.915 52.643 54.840 -0.471 0.000 0.815 682 L CB 0.517 42.218 42.059 -0.595 0.000 1.109 682 L HN 0.476 nan 8.230 nan 0.000 0.462 683 P HA 0.030 nan 4.420 nan 0.000 0.274 683 P C -0.640 176.602 177.300 -0.096 0.000 1.256 683 P CA -0.576 62.466 63.100 -0.097 0.000 0.795 683 P CB 0.412 32.114 31.700 0.003 0.000 1.038 684 E N 0.870 121.040 120.200 -0.050 0.000 2.558 684 E HA -0.037 4.328 4.350 0.025 0.000 0.255 684 E C -0.659 175.927 176.600 -0.023 0.000 0.968 684 E CA 0.182 56.557 56.400 -0.040 0.000 0.939 684 E CB -0.039 29.649 29.700 -0.020 0.000 0.921 684 E HN 0.302 nan 8.360 nan 0.000 0.477 685 L N 8.160 129.363 121.223 -0.034 0.000 2.282 685 L HA 0.270 4.625 4.340 0.025 0.000 0.287 685 L C -1.849 175.025 176.870 0.007 0.000 1.075 685 L CA -1.992 52.843 54.840 -0.007 0.000 0.839 685 L CB 0.559 42.604 42.059 -0.023 0.000 1.219 685 L HN 0.398 nan 8.230 nan 0.000 0.434 686 P HA -0.046 nan 4.420 nan 0.000 0.263 686 P C -0.228 177.085 177.300 0.021 0.000 1.175 686 P CA -0.229 62.884 63.100 0.022 0.000 0.761 686 P CB 0.440 32.159 31.700 0.032 0.000 0.794 687 Q N 3.231 123.039 119.800 0.014 0.000 2.539 687 Q HA 0.175 4.530 4.340 0.025 0.000 0.268 687 Q C -1.911 174.102 176.000 0.021 0.000 1.109 687 Q CA -0.699 55.112 55.803 0.013 0.000 0.968 687 Q CB -0.811 27.933 28.738 0.009 0.000 1.309 687 Q HN 0.434 nan 8.270 nan 0.000 0.497 688 P HA 0.314 nan 4.420 nan 0.000 0.304 688 P C -1.118 176.196 177.300 0.025 0.000 1.381 688 P CA -0.615 62.502 63.100 0.028 0.000 0.995 688 P CB 1.383 33.104 31.700 0.035 0.000 1.194 689 E N 1.667 121.882 120.200 0.025 0.000 2.127 689 E HA 0.385 4.750 4.350 0.025 0.000 0.262 689 E C -0.312 176.303 176.600 0.025 0.000 1.144 689 E CA 0.053 56.466 56.400 0.022 0.000 1.144 689 E CB -0.109 29.603 29.700 0.019 0.000 1.297 689 E HN 0.581 nan 8.360 nan 0.000 0.469 690 S N -1.139 114.577 115.700 0.028 0.000 2.787 690 S HA 0.321 4.806 4.470 0.025 0.000 0.280 690 S C -0.438 174.184 174.600 0.036 0.000 0.889 690 S CA -0.747 57.472 58.200 0.032 0.000 0.926 690 S CB 0.247 63.468 63.200 0.034 0.000 1.167 690 S HN 0.337 nan 8.310 nan 0.000 0.471 691 A N 0.856 123.699 122.820 0.038 0.000 2.406 691 A HA 0.884 5.219 4.320 0.025 0.000 0.243 691 A C 1.110 178.727 177.584 0.056 0.000 1.082 691 A CA 0.513 52.575 52.037 0.042 0.000 0.786 691 A CB -0.513 18.513 19.000 0.043 0.000 1.029 691 A HN 2.743 nan 8.150 nan 0.000 0.495 692 G N -0.810 108.025 108.800 0.059 0.000 2.351 692 G HA2 0.462 4.437 3.960 0.025 0.000 0.353 692 G HA3 0.462 4.437 3.960 0.025 0.000 0.353 692 G C -1.153 173.789 174.900 0.070 0.000 1.358 692 G CA -0.166 44.986 45.100 0.086 0.000 0.995 692 G HN 1.218 nan 8.290 nan 0.000 0.611 693 Q N -0.165 119.698 119.800 0.104 0.000 2.290 693 Q HA 0.731 5.086 4.340 0.025 0.000 0.259 693 Q C -0.398 175.656 176.000 0.090 0.000 0.941 693 Q CA -0.591 55.227 55.803 0.025 0.000 0.912 693 Q CB 1.264 29.994 28.738 -0.014 0.000 1.244 693 Q HN 0.589 nan 8.270 nan 0.000 0.441 694 L N 4.182 125.399 121.223 -0.009 0.000 2.350 694 L HA 0.498 4.853 4.340 0.025 0.000 0.275 694 L C -0.800 176.059 176.870 -0.019 0.000 1.099 694 L CA -0.426 54.459 54.840 0.076 0.000 0.808 694 L CB 0.753 42.834 42.059 0.038 0.000 1.149 694 L HN 0.694 nan 8.230 nan 0.000 0.442 695 W N 3.936 125.297 121.300 0.102 0.000 2.785 695 W HA 0.501 5.175 4.660 0.024 0.000 0.333 695 W C -0.865 175.755 176.519 0.170 0.000 1.062 695 W CA -0.514 56.913 57.345 0.137 0.000 1.233 695 W CB 1.662 31.226 29.460 0.173 0.000 1.413 695 W HN 0.103 nan 8.180 nan 0.000 0.489 696 L N 3.500 124.992 121.223 0.449 0.000 2.282 696 L HA 0.750 5.105 4.340 0.025 0.000 0.288 696 L C -0.290 176.877 176.870 0.496 0.000 1.033 696 L CA 0.173 55.265 54.840 0.420 0.000 0.807 696 L CB 1.130 43.408 42.059 0.364 0.000 1.209 696 L HN 0.336 nan 8.230 nan 0.000 0.423 697 T N 4.961 119.752 114.554 0.396 0.000 2.841 697 T HA 0.700 5.065 4.350 0.025 0.000 0.283 697 T C -0.736 174.151 174.700 0.312 0.000 1.000 697 T CA -0.454 61.841 62.100 0.326 0.000 0.977 697 T CB 1.656 70.662 68.868 0.229 0.000 0.979 697 T HN 0.606 nan 8.240 nan 0.000 0.446 698 V N 1.144 121.215 119.914 0.262 0.000 2.823 698 V HA 0.856 4.991 4.120 0.025 0.000 0.312 698 V C -0.975 175.221 176.094 0.170 0.000 1.072 698 V CA -1.174 61.245 62.300 0.199 0.000 0.937 698 V CB 2.032 33.916 31.823 0.101 0.000 1.013 698 V HN 0.863 nan 8.190 nan 0.000 0.430 699 R N 2.177 122.808 120.500 0.218 0.000 2.725 699 R HA 0.780 5.135 4.340 0.025 0.000 0.277 699 R C -1.790 174.663 176.300 0.254 0.000 0.987 699 R CA -0.849 55.413 56.100 0.271 0.000 0.901 699 R CB 2.694 33.132 30.300 0.231 0.000 1.207 699 R HN 0.633 nan 8.270 nan 0.000 0.463 700 V N 2.891 122.981 119.914 0.294 0.000 2.370 700 V HA 0.363 4.498 4.120 0.025 0.000 0.283 700 V C -0.240 175.978 176.094 0.208 0.000 1.023 700 V CA -0.646 61.792 62.300 0.231 0.000 0.857 700 V CB 1.658 33.611 31.823 0.217 0.000 0.985 700 V HN 0.439 nan 8.190 nan 0.000 0.443 701 V N 5.099 125.103 119.914 0.150 0.000 2.628 701 V HA 0.431 4.565 4.120 0.025 0.000 0.306 701 V C -0.294 175.872 176.094 0.120 0.000 1.045 701 V CA -0.749 61.620 62.300 0.116 0.000 0.905 701 V CB 2.080 33.943 31.823 0.066 0.000 0.997 701 V HN 0.886 nan 8.190 nan 0.000 0.436 702 Q N 5.309 125.190 119.800 0.134 0.000 2.368 702 Q HA 0.287 4.642 4.340 0.025 0.000 0.256 702 Q C -1.805 174.229 176.000 0.058 0.000 0.980 702 Q CA -1.788 54.085 55.803 0.117 0.000 0.887 702 Q CB 1.966 30.789 28.738 0.142 0.000 1.221 702 Q HN 0.463 nan 8.270 nan 0.000 0.458 703 P HA -0.155 nan 4.420 nan 0.000 0.219 703 P C -0.533 176.767 177.300 0.000 0.000 1.150 703 P CA 1.121 64.233 63.100 0.019 0.000 0.814 703 P CB 0.388 32.100 31.700 0.020 0.000 0.787 704 N N -0.712 117.983 118.700 -0.008 0.000 2.417 704 N HA 0.461 5.216 4.740 0.025 0.000 0.300 704 N C -0.359 175.104 175.510 -0.078 0.000 1.102 704 N CA -0.727 52.303 53.050 -0.034 0.000 0.886 704 N CB 1.109 39.579 38.487 -0.028 0.000 1.203 704 N HN -0.081 nan 8.380 nan 0.000 0.496 705 A N 0.686 123.452 122.820 -0.089 0.000 2.406 705 A HA 0.452 4.787 4.320 0.025 0.000 0.243 705 A C 0.545 178.009 177.584 -0.199 0.000 1.082 705 A CA 0.050 51.998 52.037 -0.147 0.000 0.786 705 A CB -0.017 18.920 19.000 -0.104 0.000 1.029 705 A HN 0.708 nan 8.150 nan 0.000 0.495 706 T N -3.134 111.219 114.554 -0.336 0.000 2.742 706 T HA 0.626 4.991 4.350 0.025 0.000 0.282 706 T C 0.972 175.512 174.700 -0.265 0.000 1.025 706 T CA 0.047 61.939 62.100 -0.347 0.000 1.020 706 T CB 1.058 69.514 68.868 -0.686 0.000 1.317 706 T HN 1.400 nan 8.240 nan 0.000 0.538 707 A N -0.063 122.696 122.820 -0.102 0.000 2.125 707 A HA 0.086 4.421 4.320 0.025 0.000 0.219 707 A C 1.611 179.322 177.584 0.212 0.000 1.156 707 A CA 1.211 53.291 52.037 0.071 0.000 0.671 707 A CB -0.912 18.170 19.000 0.137 0.000 0.794 707 A HN 0.913 nan 8.150 nan 0.000 0.459 708 W N -0.872 120.496 121.300 0.113 0.000 2.714 708 W HA 0.429 5.105 4.660 0.026 0.000 0.353 708 W C -0.226 176.266 176.519 -0.045 0.000 0.999 708 W CA 0.466 57.850 57.345 0.064 0.000 1.629 708 W CB -1.069 28.419 29.460 0.046 0.000 1.106 708 W HN 0.410 nan 8.180 nan 0.000 0.545 709 S N -0.105 115.159 115.700 -0.727 0.000 2.570 709 S HA 0.481 4.966 4.470 0.025 0.000 0.270 709 S C -1.100 173.267 174.600 -0.387 0.000 1.149 709 S CA -0.743 57.065 58.200 -0.653 0.000 0.837 709 S CB 2.754 65.171 63.200 -1.305 0.000 1.124 709 S HN 0.093 nan 8.310 nan 0.000 0.465 710 E N 0.502 120.590 120.200 -0.187 0.000 2.280 710 E HA 0.634 4.999 4.350 0.025 0.000 0.264 710 E C 0.150 176.710 176.600 -0.066 0.000 1.064 710 E CA -0.931 55.412 56.400 -0.095 0.000 0.900 710 E CB 1.266 30.953 29.700 -0.020 0.000 1.123 710 E HN 0.886 nan 8.360 nan 0.000 0.418 711 A N 0.719 123.509 122.820 -0.050 0.000 2.540 711 A HA 0.379 4.714 4.320 0.025 0.000 0.239 711 A C 1.134 178.719 177.584 0.002 0.000 1.061 711 A CA 0.863 52.884 52.037 -0.028 0.000 0.758 711 A CB -0.559 18.426 19.000 -0.025 0.000 0.991 711 A HN 0.815 nan 8.150 nan 0.000 0.502 712 G N 0.652 109.463 108.800 0.018 0.000 2.194 712 G HA2 -0.241 3.734 3.960 0.025 0.000 0.236 712 G HA3 -0.241 3.734 3.960 0.025 0.000 0.236 712 G C 0.287 175.214 174.900 0.045 0.000 0.987 712 G CA 0.603 45.714 45.100 0.018 0.000 0.635 712 G HN 1.748 nan 8.290 nan 0.000 0.520 713 H N 1.007 120.075 119.070 -0.004 0.000 3.125 713 H HA 0.369 4.940 4.556 0.025 0.000 0.310 713 H C 0.739 176.135 175.328 0.114 0.000 0.980 713 H CA 0.564 56.637 56.048 0.041 0.000 1.422 713 H CB 0.083 29.839 29.762 -0.010 0.000 1.432 713 H HN 0.333 nan 8.280 nan 0.000 0.577 714 I N 4.846 125.152 120.570 -0.440 0.000 2.325 714 I HA 0.025 4.210 4.170 0.025 0.000 0.291 714 I C 0.973 176.978 176.117 -0.186 0.000 1.019 714 I CA 0.083 61.279 61.300 -0.174 0.000 1.302 714 I CB 1.395 39.354 38.000 -0.069 0.000 1.401 714 I HN 0.780 nan 8.210 nan 0.000 0.485 715 S N 4.368 120.182 115.700 0.190 0.000 2.511 715 S HA 0.550 5.035 4.470 0.025 0.000 0.214 715 S C 0.430 175.335 174.600 0.508 0.000 0.997 715 S CA 0.004 58.464 58.200 0.432 0.000 0.908 715 S CB 0.519 64.081 63.200 0.603 0.000 0.803 715 S HN 0.713 nan 8.310 nan 0.000 0.504 716 A N 0.436 123.590 122.820 0.556 0.000 2.608 716 A HA 0.655 4.990 4.320 0.025 0.000 0.292 716 A C -1.773 176.200 177.584 0.648 0.000 1.066 716 A CA -0.868 51.476 52.037 0.512 0.000 0.676 716 A CB 0.334 19.686 19.000 0.588 0.000 1.277 716 A HN 0.950 nan 8.150 nan 0.000 0.413 717 W N -0.143 121.362 121.300 0.341 0.000 3.066 717 W HA 0.816 5.491 4.660 0.026 0.000 0.330 717 W C -1.199 175.384 176.519 0.106 0.000 1.253 717 W CA -0.626 56.802 57.345 0.138 0.000 1.187 717 W CB 1.198 30.706 29.460 0.079 0.000 1.434 717 W HN 0.989 nan 8.180 nan 0.000 0.572 718 Q N 0.985 120.813 119.800 0.046 0.000 2.527 718 Q HA 0.442 4.796 4.340 0.025 0.000 0.280 718 Q C -1.508 174.322 176.000 -0.283 0.000 0.977 718 Q CA -0.477 55.194 55.803 -0.220 0.000 0.837 718 Q CB 2.422 30.838 28.738 -0.536 0.000 1.454 718 Q HN 0.626 nan 8.270 nan 0.000 0.387 719 Q N 1.135 120.697 119.800 -0.395 0.000 2.484 719 Q HA 0.662 5.017 4.340 0.025 0.000 0.285 719 Q C -1.082 174.697 176.000 -0.368 0.000 1.097 719 Q CA -0.748 54.989 55.803 -0.110 0.000 0.802 719 Q CB 2.565 31.466 28.738 0.272 0.000 1.444 719 Q HN 0.586 nan 8.270 nan 0.000 0.429 720 W N 0.653 122.106 121.300 0.255 0.000 3.217 720 W HA 0.432 5.106 4.660 0.024 0.000 0.323 720 W C -0.446 175.987 176.519 -0.143 0.000 1.216 720 W CA -0.647 56.741 57.345 0.072 0.000 1.194 720 W CB 1.781 31.250 29.460 0.015 0.000 1.397 720 W HN 0.436 nan 8.180 nan 0.000 0.537 721 R N 1.564 121.921 120.500 -0.238 0.000 2.441 721 R HA 0.523 4.878 4.340 0.025 0.000 0.284 721 R C 0.426 176.571 176.300 -0.258 0.000 1.070 721 R CA -0.121 55.578 56.100 -0.668 0.000 1.047 721 R CB 1.131 30.989 30.300 -0.737 0.000 1.016 721 R HN 0.317 nan 8.270 nan 0.000 0.477 722 L N 1.054 122.137 121.223 -0.233 0.000 2.783 722 L HA 0.557 4.912 4.340 0.025 0.000 0.205 722 L C 0.484 177.273 176.870 -0.135 0.000 1.985 722 L CA -1.115 53.652 54.840 -0.121 0.000 2.546 722 L CB -0.067 41.957 42.059 -0.059 0.000 2.829 722 L HN 0.593 nan 8.230 nan 0.000 0.614 723 A N 0.261 123.029 122.820 -0.087 0.000 2.466 723 A HA 0.218 4.553 4.320 0.025 0.000 0.238 723 A C -0.319 177.217 177.584 -0.079 0.000 1.074 723 A CA 0.268 52.261 52.037 -0.074 0.000 0.774 723 A CB 0.147 19.121 19.000 -0.044 0.000 1.015 723 A HN 0.622 nan 8.150 nan 0.000 0.498 724 E N 0.699 120.859 120.200 -0.067 0.000 2.248 724 E HA 0.339 4.704 4.350 0.025 0.000 0.267 724 E C -1.443 175.144 176.600 -0.022 0.000 0.877 724 E CA -0.716 55.653 56.400 -0.052 0.000 0.759 724 E CB 0.977 30.637 29.700 -0.066 0.000 1.182 724 E HN 0.706 nan 8.360 nan 0.000 0.418 725 N N 5.013 123.712 118.700 -0.002 0.000 2.518 725 N HA 0.267 5.022 4.740 0.025 0.000 0.254 725 N C -0.593 174.927 175.510 0.016 0.000 0.979 725 N CA -0.369 52.685 53.050 0.007 0.000 0.930 725 N CB 1.261 39.755 38.487 0.011 0.000 1.152 725 N HN 0.447 nan 8.380 nan 0.000 0.505 726 L N 0.751 121.982 121.223 0.014 0.000 2.456 726 L HA 0.114 4.469 4.340 0.025 0.000 0.272 726 L C 1.330 178.216 176.870 0.028 0.000 1.189 726 L CA 0.091 54.945 54.840 0.023 0.000 0.846 726 L CB 0.451 42.522 42.059 0.021 0.000 1.111 726 L HN 0.367 nan 8.230 nan 0.000 0.475 727 S N 1.272 116.993 115.700 0.036 0.000 2.505 727 S HA 0.253 4.737 4.470 0.025 0.000 0.276 727 S C 0.544 175.163 174.600 0.031 0.000 1.274 727 S CA -0.744 57.477 58.200 0.035 0.000 1.053 727 S CB 0.810 64.035 63.200 0.042 0.000 0.919 727 S HN 0.478 nan 8.310 nan 0.000 0.490 728 V N 2.297 122.226 119.914 0.025 0.000 3.346 728 V HA 0.352 4.487 4.120 0.025 0.000 0.309 728 V C 0.593 176.699 176.094 0.021 0.000 1.457 728 V CA 0.122 62.435 62.300 0.022 0.000 1.069 728 V CB -0.448 31.386 31.823 0.018 0.000 0.944 728 V HN 0.851 nan 8.190 nan 0.000 0.449 729 T N 1.702 116.270 114.554 0.023 0.000 2.727 729 T HA 0.628 4.992 4.350 0.025 0.000 0.295 729 T C -0.067 174.645 174.700 0.021 0.000 0.915 729 T CA -0.483 61.630 62.100 0.021 0.000 1.066 729 T CB 0.323 69.204 68.868 0.022 0.000 0.891 729 T HN 0.379 nan 8.240 nan 0.000 0.516 730 L N 5.051 126.284 121.223 0.018 0.000 2.578 730 L HA 0.200 4.554 4.340 0.025 0.000 0.279 730 L C -0.663 176.215 176.870 0.013 0.000 1.227 730 L CA -1.114 53.735 54.840 0.015 0.000 0.900 730 L CB -1.067 40.999 42.059 0.013 0.000 1.144 730 L HN 0.393 nan 8.230 nan 0.000 0.496 731 P HA -0.087 nan 4.420 nan 0.000 0.205 731 P C -0.104 177.194 177.300 -0.004 0.000 1.164 731 P CA 1.560 64.663 63.100 0.005 0.000 0.938 731 P CB 0.042 31.743 31.700 0.002 0.000 0.777 732 A N -2.749 120.064 122.820 -0.012 0.000 1.466 732 A HA 0.484 4.818 4.320 0.025 0.000 0.232 732 A C -0.518 177.043 177.584 -0.039 0.000 0.829 732 A CA -0.468 51.557 52.037 -0.020 0.000 0.563 732 A CB -0.920 18.062 19.000 -0.030 0.000 0.755 732 A HN 0.426 nan 8.150 nan 0.000 0.326 733 A N 2.957 125.769 122.820 -0.013 0.000 2.550 733 A HA 0.489 4.824 4.320 0.025 0.000 0.263 733 A C 1.126 178.695 177.584 -0.026 0.000 1.065 733 A CA 0.847 52.881 52.037 -0.004 0.000 0.786 733 A CB -0.951 18.063 19.000 0.024 0.000 0.985 733 A HN 2.233 nan 8.150 nan 0.000 0.518 734 S N 2.599 118.275 115.700 -0.039 0.000 2.571 734 S HA -0.089 4.396 4.470 0.025 0.000 0.298 734 S C 0.726 175.344 174.600 0.030 0.000 1.280 734 S CA 0.770 58.936 58.200 -0.056 0.000 1.052 734 S CB -0.163 63.025 63.200 -0.021 0.000 0.799 734 S HN 0.761 nan 8.310 nan 0.000 0.501 735 H N 1.324 120.410 119.070 0.027 0.000 2.462 735 H HA 0.255 4.826 4.556 0.025 0.000 0.292 735 H C 1.063 176.407 175.328 0.027 0.000 1.049 735 H CA 0.670 56.733 56.048 0.025 0.000 1.334 735 H CB 0.170 29.947 29.762 0.025 0.000 1.404 735 H HN 0.787 nan 8.280 nan 0.000 0.544 736 A N 0.736 123.636 122.820 0.133 0.000 2.524 736 A HA 0.585 4.920 4.320 0.025 0.000 0.286 736 A C -1.372 176.253 177.584 0.068 0.000 1.203 736 A CA -0.762 51.332 52.037 0.094 0.000 0.736 736 A CB 1.275 20.334 19.000 0.098 0.000 1.322 736 A HN 0.223 nan 8.150 nan 0.000 0.424 737 I N 0.052 120.662 120.570 0.067 0.000 2.447 737 I HA 0.661 4.846 4.170 0.025 0.000 0.287 737 I C -2.797 173.367 176.117 0.077 0.000 1.023 737 I CA -2.224 59.109 61.300 0.055 0.000 1.083 737 I CB 2.223 40.246 38.000 0.038 0.000 1.245 737 I HN 0.318 nan 8.210 nan 0.000 0.434 738 P HA 0.121 nan 4.420 nan 0.000 0.272 738 P C -1.312 176.060 177.300 0.119 0.000 1.223 738 P CA 0.188 63.349 63.100 0.102 0.000 0.784 738 P CB 0.345 32.060 31.700 0.026 0.000 0.923 739 H N 2.200 121.306 119.070 0.060 0.000 2.492 739 H HA 0.444 5.015 4.556 0.025 0.000 0.345 739 H C -1.321 174.042 175.328 0.059 0.000 1.136 739 H CA -0.922 55.154 56.048 0.046 0.000 1.202 739 H CB 1.394 31.185 29.762 0.049 0.000 1.524 739 H HN 0.239 nan 8.280 nan 0.000 0.506 740 L N 4.260 125.132 121.223 -0.585 0.000 2.282 740 L HA 0.321 4.676 4.340 0.025 0.000 0.288 740 L C -0.693 175.873 176.870 -0.506 0.000 1.033 740 L CA -0.093 54.526 54.840 -0.368 0.000 0.807 740 L CB 1.567 43.469 42.059 -0.262 0.000 1.209 740 L HN 0.569 nan 8.230 nan 0.000 0.423 741 T N 3.678 118.196 114.554 -0.061 0.000 2.756 741 T HA 0.418 4.783 4.350 0.025 0.000 0.290 741 T C -0.216 174.573 174.700 0.148 0.000 0.985 741 T CA -0.259 61.906 62.100 0.108 0.000 0.955 741 T CB 0.715 69.714 68.868 0.218 0.000 0.930 741 T HN 0.692 nan 8.240 nan 0.000 0.451 742 T N 3.367 118.006 114.554 0.143 0.000 2.795 742 T HA 0.630 4.995 4.350 0.025 0.000 0.282 742 T C 0.225 174.986 174.700 0.103 0.000 0.980 742 T CA -0.652 61.577 62.100 0.216 0.000 1.012 742 T CB 1.029 70.042 68.868 0.242 0.000 0.936 742 T HN 0.684 nan 8.240 nan 0.000 0.457 743 S N 2.093 117.810 115.700 0.029 0.000 2.709 743 S HA 0.513 4.998 4.470 0.025 0.000 0.302 743 S C 0.807 175.358 174.600 -0.082 0.000 1.127 743 S CA -0.836 57.356 58.200 -0.012 0.000 0.905 743 S CB 1.500 64.700 63.200 0.000 0.000 1.151 743 S HN 0.419 nan 8.310 nan 0.000 0.510 744 E N 0.710 120.875 120.200 -0.059 0.000 2.058 744 E HA -0.124 4.240 4.350 0.025 0.000 0.194 744 E C 1.656 178.183 176.600 -0.123 0.000 0.997 744 E CA 1.821 58.174 56.400 -0.078 0.000 0.801 744 E CB -0.547 29.127 29.700 -0.043 0.000 0.746 744 E HN 0.802 nan 8.360 nan 0.000 0.450 745 M N -0.770 118.772 119.600 -0.096 0.000 2.441 745 M HA 0.310 4.805 4.480 0.025 0.000 0.244 745 M C -0.302 175.915 176.300 -0.139 0.000 1.122 745 M CA 0.140 55.379 55.300 -0.102 0.000 1.041 745 M CB 0.346 32.918 32.600 -0.046 0.000 1.438 745 M HN -0.313 nan 8.290 nan 0.000 0.484 746 D N -0.318 119.981 120.400 -0.168 0.000 2.602 746 D HA 0.441 5.095 4.640 0.025 0.000 0.236 746 D C -1.458 174.739 176.300 -0.171 0.000 1.209 746 D CA -0.303 53.619 54.000 -0.130 0.000 0.831 746 D CB 2.133 42.954 40.800 0.036 0.000 1.478 746 D HN 0.095 nan 8.370 nan 0.000 0.438 747 F N 0.938 120.968 119.950 0.134 0.000 2.427 747 F HA 0.371 4.913 4.527 0.025 0.000 0.348 747 F C 0.097 176.034 175.800 0.228 0.000 1.125 747 F CA -0.741 57.330 58.000 0.118 0.000 0.989 747 F CB 1.301 40.328 39.000 0.044 0.000 1.165 747 F HN 0.054 nan 8.300 nan 0.000 0.442 748 C N 4.506 124.025 119.300 0.366 0.000 2.411 748 C HA 0.754 5.229 4.460 0.025 0.000 0.330 748 C C -0.191 174.986 174.990 0.311 0.000 1.224 748 C CA -0.887 58.334 59.018 0.338 0.000 1.770 748 C CB 1.110 28.987 27.740 0.229 0.000 2.297 748 C HN 0.594 nan 8.230 nan 0.000 0.507 749 I N 2.393 123.201 120.570 0.397 0.000 2.498 749 I HA 0.444 4.629 4.170 0.025 0.000 0.290 749 I C -0.581 175.820 176.117 0.473 0.000 1.032 749 I CA -0.107 61.412 61.300 0.365 0.000 1.073 749 I CB 1.712 39.893 38.000 0.302 0.000 1.251 749 I HN 0.617 nan 8.210 nan 0.000 0.426 750 E N 6.038 126.462 120.200 0.373 0.000 2.222 750 E HA 0.761 5.126 4.350 0.025 0.000 0.267 750 E C -1.379 175.419 176.600 0.330 0.000 0.884 750 E CA -0.678 55.916 56.400 0.324 0.000 0.764 750 E CB 2.616 32.427 29.700 0.185 0.000 1.169 750 E HN 0.346 nan 8.360 nan 0.000 0.413 751 L N 2.493 123.927 121.223 0.352 0.000 2.555 751 L HA 0.601 4.956 4.340 0.025 0.000 0.264 751 L C 0.356 177.337 176.870 0.184 0.000 0.972 751 L CA 0.571 55.586 54.840 0.292 0.000 0.876 751 L CB 0.986 43.268 42.059 0.373 0.000 1.216 751 L HN 0.681 nan 8.230 nan 0.000 0.415 752 G N 4.354 113.219 108.800 0.108 0.000 2.591 752 G HA2 -0.405 3.569 3.960 0.025 0.000 0.298 752 G HA3 -0.405 3.569 3.960 0.025 0.000 0.298 752 G C 0.442 175.354 174.900 0.021 0.000 1.195 752 G CA 0.538 45.674 45.100 0.060 0.000 0.989 752 G HN 1.263 nan 8.290 nan 0.000 0.551 753 N N 1.436 120.135 118.700 -0.001 0.000 2.295 753 N HA 0.191 4.946 4.740 0.025 0.000 0.221 753 N C 0.185 175.648 175.510 -0.080 0.000 1.129 753 N CA 0.534 53.561 53.050 -0.038 0.000 0.836 753 N CB 0.237 38.701 38.487 -0.039 0.000 1.040 753 N HN 0.730 nan 8.380 nan 0.000 0.494 754 K N 0.097 120.435 120.400 -0.103 0.000 2.203 754 K HA 0.505 4.840 4.320 0.025 0.000 0.251 754 K C -0.541 175.866 176.600 -0.321 0.000 0.944 754 K CA -0.632 55.468 56.287 -0.312 0.000 0.829 754 K CB 2.378 34.558 32.500 -0.533 0.000 1.125 754 K HN -0.036 nan 8.250 nan 0.000 0.430 755 R N 1.368 121.602 120.500 -0.443 0.000 2.651 755 R HA 0.407 4.761 4.340 0.025 0.000 0.278 755 R C -1.536 174.685 176.300 -0.133 0.000 1.010 755 R CA -0.689 55.351 56.100 -0.099 0.000 0.896 755 R CB 1.397 31.669 30.300 -0.047 0.000 1.211 755 R HN 0.611 nan 8.270 nan 0.000 0.456 756 W N 2.674 124.099 121.300 0.209 0.000 2.819 756 W HA 0.342 5.017 4.660 0.025 0.000 0.337 756 W C -0.581 176.033 176.519 0.157 0.000 1.077 756 W CA -0.589 56.810 57.345 0.090 0.000 1.226 756 W CB 2.255 31.746 29.460 0.051 0.000 1.419 756 W HN 0.369 nan 8.180 nan 0.000 0.502 757 Q N 2.719 122.636 119.800 0.194 0.000 2.310 757 Q HA 0.397 4.752 4.340 0.025 0.000 0.270 757 Q C -1.959 174.000 176.000 -0.068 0.000 1.025 757 Q CA -0.503 55.422 55.803 0.204 0.000 0.772 757 Q CB 1.535 30.459 28.738 0.310 0.000 1.253 757 Q HN 0.378 nan 8.270 nan 0.000 0.450 758 F N 2.870 122.910 119.950 0.151 0.000 2.388 758 F HA 0.319 4.861 4.527 0.025 0.000 0.358 758 F C 0.686 176.525 175.800 0.065 0.000 1.122 758 F CA -0.779 57.277 58.000 0.093 0.000 1.056 758 F CB 1.177 40.232 39.000 0.091 0.000 1.155 758 F HN 0.457 nan 8.300 nan 0.000 0.461 759 N N 3.694 122.502 118.700 0.179 0.000 2.470 759 N HA 0.073 4.828 4.740 0.025 0.000 0.268 759 N C 0.941 176.475 175.510 0.040 0.000 1.136 759 N CA -0.073 53.031 53.050 0.090 0.000 0.961 759 N CB 0.767 39.314 38.487 0.100 0.000 1.067 759 N HN 0.704 nan 8.380 nan 0.000 0.468 760 R N 2.473 122.923 120.500 -0.084 0.000 2.189 760 R HA -0.076 4.279 4.340 0.025 0.000 0.218 760 R C 1.505 177.756 176.300 -0.081 0.000 1.074 760 R CA 1.119 57.124 56.100 -0.160 0.000 0.991 760 R CB 0.204 30.273 30.300 -0.386 0.000 0.883 760 R HN 0.677 nan 8.270 nan 0.000 0.457 761 Q N -0.284 119.493 119.800 -0.038 0.000 2.259 761 Q HA -0.009 4.346 4.340 0.025 0.000 0.201 761 Q C 2.109 178.115 176.000 0.011 0.000 0.938 761 Q CA 1.383 57.175 55.803 -0.017 0.000 0.872 761 Q CB 0.449 29.188 28.738 0.001 0.000 0.971 761 Q HN 0.326 nan 8.270 nan 0.000 0.494 762 S N -1.182 114.548 115.700 0.050 0.000 2.439 762 S HA 0.113 4.598 4.470 0.025 0.000 0.224 762 S C 1.571 176.152 174.600 -0.032 0.000 1.029 762 S CA 0.727 58.989 58.200 0.104 0.000 0.946 762 S CB 0.350 63.711 63.200 0.268 0.000 0.797 762 S HN 0.463 nan 8.310 nan 0.000 0.504 763 G N 0.375 109.154 108.800 -0.035 0.000 2.143 763 G HA2 -0.211 3.764 3.960 0.025 0.000 0.249 763 G HA3 -0.211 3.764 3.960 0.025 0.000 0.249 763 G C -0.093 174.717 174.900 -0.150 0.000 0.981 763 G CA 0.325 45.372 45.100 -0.089 0.000 0.665 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.250 118.874 119.950 0.291 0.000 2.556 764 F HA 0.678 5.220 4.527 0.025 0.000 0.327 764 F C 0.484 176.319 175.800 0.057 0.000 1.059 764 F CA -1.413 56.718 58.000 0.217 0.000 0.953 764 F CB 1.459 40.536 39.000 0.128 0.000 1.227 764 F HN 0.021 nan 8.300 nan 0.000 0.478 765 L N 1.911 123.199 121.223 0.108 0.000 2.485 765 L HA 0.178 4.533 4.340 0.025 0.000 0.279 765 L C 0.926 177.703 176.870 -0.155 0.000 1.124 765 L CA 0.472 55.046 54.840 -0.443 0.000 0.888 765 L CB 0.301 42.018 42.059 -0.570 0.000 1.217 765 L HN 0.706 nan 8.230 nan 0.000 0.464 766 S N 2.395 118.003 115.700 -0.152 0.000 2.503 766 S HA 0.257 4.742 4.470 0.025 0.000 0.215 766 S C 0.579 175.051 174.600 -0.213 0.000 1.003 766 S CA -0.183 57.960 58.200 -0.095 0.000 0.910 766 S CB 0.104 63.302 63.200 -0.002 0.000 0.790 766 S HN 0.663 nan 8.310 nan 0.000 0.514 767 Q N 0.167 119.769 119.800 -0.330 0.000 2.426 767 Q HA 0.628 4.983 4.340 0.025 0.000 0.278 767 Q C -1.844 173.738 176.000 -0.698 0.000 1.007 767 Q CA -0.400 55.038 55.803 -0.609 0.000 0.850 767 Q CB 1.877 30.083 28.738 -0.886 0.000 1.427 767 Q HN 0.307 nan 8.270 nan 0.000 0.391 768 M N 2.828 121.915 119.600 -0.855 0.000 2.378 768 M HA 0.506 5.001 4.480 0.025 0.000 0.289 768 M C -2.026 173.890 176.300 -0.640 0.000 1.136 768 M CA -0.067 54.837 55.300 -0.660 0.000 0.917 768 M CB 1.557 33.762 32.600 -0.658 0.000 1.669 768 M HN 0.771 nan 8.290 nan 0.000 0.461 769 W N 5.320 126.372 121.300 -0.412 0.000 2.761 769 W HA 0.566 5.241 4.660 0.025 0.000 0.340 769 W C -0.925 175.395 176.519 -0.331 0.000 1.072 769 W CA -0.761 56.410 57.345 -0.291 0.000 1.215 769 W CB 1.746 31.081 29.460 -0.208 0.000 1.420 769 W HN 0.502 nan 8.180 nan 0.000 0.519 770 I N 2.896 123.465 120.570 -0.002 0.000 2.359 770 I HA 0.363 4.548 4.170 0.025 0.000 0.284 770 I C 0.865 176.974 176.117 -0.012 0.000 1.018 770 I CA 0.394 61.652 61.300 -0.070 0.000 1.173 770 I CB 0.821 38.762 38.000 -0.098 0.000 1.326 770 I HN 0.763 nan 8.210 nan 0.000 0.462 771 G N 6.060 114.844 108.800 -0.027 0.000 2.556 771 G HA2 -0.330 3.645 3.960 0.025 0.000 0.283 771 G HA3 -0.330 3.645 3.960 0.025 0.000 0.283 771 G C 0.329 175.232 174.900 0.004 0.000 1.177 771 G CA 0.495 45.580 45.100 -0.024 0.000 0.978 771 G HN 0.766 nan 8.290 nan 0.000 0.554 772 D N 0.764 121.176 120.400 0.020 0.000 2.342 772 D HA 0.226 4.881 4.640 0.025 0.000 0.221 772 D C 0.391 176.812 176.300 0.202 0.000 1.101 772 D CA 0.192 54.228 54.000 0.061 0.000 0.837 772 D CB 0.242 41.052 40.800 0.017 0.000 0.938 772 D HN 0.288 nan 8.370 nan 0.000 0.508 773 K N 1.321 121.816 120.400 0.157 0.000 2.262 773 K HA 0.266 4.601 4.320 0.025 0.000 0.282 773 K C 0.184 176.802 176.600 0.030 0.000 1.066 773 K CA -0.411 55.932 56.287 0.093 0.000 0.901 773 K CB 1.504 34.011 32.500 0.012 0.000 1.089 773 K HN 0.064 nan 8.250 nan 0.000 0.476 774 K N 2.077 122.423 120.400 -0.091 0.000 2.401 774 K HA 0.011 4.346 4.320 0.025 0.000 0.278 774 K C 1.095 177.529 176.600 -0.276 0.000 1.018 774 K CA 0.074 56.094 56.287 -0.444 0.000 0.981 774 K CB 0.638 32.911 32.500 -0.378 0.000 0.933 774 K HN 0.320 nan 8.250 nan 0.000 0.477 775 Q N 1.587 121.198 119.800 -0.315 0.000 2.317 775 Q HA 0.187 4.541 4.340 0.025 0.000 0.220 775 Q C 0.024 175.951 176.000 -0.123 0.000 0.873 775 Q CA 0.381 56.114 55.803 -0.117 0.000 0.936 775 Q CB 0.541 29.257 28.738 -0.036 0.000 1.105 775 Q HN 0.500 nan 8.270 nan 0.000 0.520 776 L N 0.500 121.578 121.223 -0.241 0.000 2.334 776 L HA 0.388 4.743 4.340 0.025 0.000 0.273 776 L C 0.976 177.715 176.870 -0.218 0.000 1.013 776 L CA -0.375 54.342 54.840 -0.206 0.000 0.816 776 L CB 1.554 43.478 42.059 -0.226 0.000 1.278 776 L HN -0.061 nan 8.230 nan 0.000 0.431 777 L N 0.179 121.268 121.223 -0.225 0.000 2.500 777 L HA 0.239 4.594 4.340 0.025 0.000 0.219 777 L C 0.203 176.960 176.870 -0.188 0.000 1.057 777 L CA 0.639 55.353 54.840 -0.210 0.000 0.854 777 L CB 0.742 42.657 42.059 -0.240 0.000 1.078 777 L HN 0.605 nan 8.230 nan 0.000 0.480 778 T N -0.062 114.359 114.554 -0.221 0.000 2.909 778 T HA 0.422 4.787 4.350 0.025 0.000 0.299 778 T C -2.569 172.062 174.700 -0.115 0.000 1.073 778 T CA -1.127 60.893 62.100 -0.134 0.000 0.999 778 T CB 2.524 71.308 68.868 -0.141 0.000 1.098 778 T HN -0.260 nan 8.240 nan 0.000 0.477 779 P HA 0.218 nan 4.420 nan 0.000 0.271 779 P C -0.739 176.513 177.300 -0.080 0.000 1.233 779 P CA -0.718 62.340 63.100 -0.070 0.000 0.789 779 P CB 0.412 32.098 31.700 -0.023 0.000 0.951 780 L N 2.539 123.754 121.223 -0.014 0.000 2.325 780 L HA 0.288 4.643 4.340 0.025 0.000 0.284 780 L C 0.037 176.850 176.870 -0.094 0.000 1.089 780 L CA 0.508 55.376 54.840 0.046 0.000 0.836 780 L CB -0.503 41.702 42.059 0.242 0.000 1.184 780 L HN 0.277 nan 8.230 nan 0.000 0.444 781 R N 2.811 123.164 120.500 -0.244 0.000 2.795 781 R HA 0.470 4.825 4.340 0.025 0.000 0.275 781 R C -1.006 175.167 176.300 -0.213 0.000 0.981 781 R CA -1.049 54.732 56.100 -0.532 0.000 0.917 781 R CB 1.270 31.101 30.300 -0.783 0.000 1.202 781 R HN 0.539 nan 8.270 nan 0.000 0.469 782 D N 1.247 121.601 120.400 -0.077 0.000 2.378 782 D HA 0.032 4.687 4.640 0.025 0.000 0.238 782 D C -0.387 175.562 176.300 -0.585 0.000 1.180 782 D CA 0.367 54.179 54.000 -0.313 0.000 0.895 782 D CB 0.614 41.156 40.800 -0.430 0.000 1.192 782 D HN 0.251 nan 8.370 nan 0.000 0.438 783 Q N 0.760 120.014 119.800 -0.910 0.000 2.289 783 Q HA 0.355 4.710 4.340 0.025 0.000 0.270 783 Q C -1.322 173.975 176.000 -1.173 0.000 1.038 783 Q CA -0.582 54.738 55.803 -0.806 0.000 0.812 783 Q CB 0.818 29.285 28.738 -0.452 0.000 1.300 783 Q HN 0.552 nan 8.270 nan 0.000 0.427 784 F N 0.838 120.415 119.950 -0.622 0.000 2.729 784 F HA 0.214 4.755 4.527 0.025 0.000 0.315 784 F C 0.499 175.864 175.800 -0.724 0.000 1.102 784 F CA -0.189 57.319 58.000 -0.821 0.000 1.204 784 F CB 1.586 39.747 39.000 -1.399 0.000 1.052 784 F HN 0.465 nan 8.300 nan 0.000 0.551 785 T N -0.906 113.352 114.554 -0.493 0.000 2.907 785 T HA 0.764 5.129 4.350 0.025 0.000 0.290 785 T C -0.595 173.865 174.700 -0.399 0.000 1.066 785 T CA -1.006 60.740 62.100 -0.590 0.000 1.012 785 T CB 2.746 71.224 68.868 -0.651 0.000 1.184 785 T HN 0.232 nan 8.240 nan 0.000 0.522 786 R N -0.074 120.228 120.500 -0.331 0.000 2.837 786 R HA 0.781 5.136 4.340 0.025 0.000 0.271 786 R C -0.758 175.587 176.300 0.075 0.000 0.993 786 R CA -1.242 54.788 56.100 -0.117 0.000 0.931 786 R CB 1.561 31.800 30.300 -0.101 0.000 1.206 786 R HN 0.822 nan 8.270 nan 0.000 0.474 787 A N 3.375 126.226 122.820 0.051 0.000 2.484 787 A HA 0.278 4.613 4.320 0.025 0.000 0.268 787 A C -1.982 175.662 177.584 0.100 0.000 1.114 787 A CA -1.320 50.746 52.037 0.049 0.000 0.780 787 A CB -0.459 18.517 19.000 -0.040 0.000 1.061 787 A HN 0.556 nan 8.150 nan 0.000 0.505 788 P HA 0.091 nan 4.420 nan 0.000 0.264 788 P C -0.194 177.219 177.300 0.188 0.000 1.193 788 P CA 0.430 63.687 63.100 0.261 0.000 0.763 788 P CB 0.353 32.243 31.700 0.317 0.000 0.810 789 L N 2.500 123.802 121.223 0.132 0.000 2.475 789 L HA 0.153 4.508 4.340 0.025 0.000 0.253 789 L C 1.885 178.777 176.870 0.038 0.000 1.198 789 L CA -0.466 54.389 54.840 0.025 0.000 0.814 789 L CB -0.096 41.906 42.059 -0.095 0.000 1.134 789 L HN 0.292 nan 8.230 nan 0.000 0.478 790 D N 0.292 120.652 120.400 -0.067 0.000 2.123 790 D HA -0.161 4.494 4.640 0.025 0.000 0.196 790 D C 1.620 177.847 176.300 -0.122 0.000 0.992 790 D CA 1.427 55.311 54.000 -0.193 0.000 0.833 790 D CB 0.004 40.612 40.800 -0.319 0.000 0.954 790 D HN 0.472 nan 8.370 nan 0.000 0.455 791 N N 0.953 119.599 118.700 -0.091 0.000 2.396 791 N HA -0.098 4.657 4.740 0.025 0.000 0.180 791 N C 1.120 176.644 175.510 0.023 0.000 1.028 791 N CA 0.642 53.666 53.050 -0.043 0.000 0.893 791 N CB -0.097 38.354 38.487 -0.059 0.000 0.967 791 N HN 0.248 nan 8.380 nan 0.000 0.440 792 D N 0.385 120.814 120.400 0.049 0.000 2.234 792 D HA 0.062 4.717 4.640 0.025 0.000 0.205 792 D C 1.982 178.331 176.300 0.081 0.000 0.962 792 D CA 0.328 54.392 54.000 0.106 0.000 0.855 792 D CB 0.218 41.155 40.800 0.229 0.000 0.951 792 D HN 0.310 nan 8.370 nan 0.000 0.500 793 I N 0.303 120.908 120.570 0.058 0.000 2.339 793 I HA 0.046 4.231 4.170 0.025 0.000 0.245 793 I C 1.818 177.962 176.117 0.045 0.000 1.096 793 I CA 0.697 62.020 61.300 0.038 0.000 1.408 793 I CB -0.382 37.612 38.000 -0.011 0.000 1.092 793 I HN 0.059 nan 8.210 nan 0.000 0.423 794 G N 1.234 110.076 108.800 0.070 0.000 2.574 794 G HA2 -0.335 3.640 3.960 0.025 0.000 0.286 794 G HA3 -0.335 3.640 3.960 0.025 0.000 0.286 794 G C 0.661 175.734 174.900 0.289 0.000 1.212 794 G CA 0.742 45.949 45.100 0.178 0.000 0.979 794 G HN 0.521 nan 8.290 nan 0.000 0.557 795 V N -1.820 118.199 119.914 0.175 0.000 3.649 795 V HA 0.573 4.708 4.120 0.025 0.000 0.275 795 V C 1.394 177.508 176.094 0.033 0.000 1.281 795 V CA 1.269 63.613 62.300 0.073 0.000 1.143 795 V CB -0.030 31.732 31.823 -0.101 0.000 0.892 795 V HN 1.264 nan 8.190 nan 0.000 0.441 796 S N 1.089 116.809 115.700 0.034 0.000 2.558 796 S HA 0.226 4.711 4.470 0.025 0.000 0.288 796 S C -0.105 174.505 174.600 0.016 0.000 1.318 796 S CA 0.234 58.439 58.200 0.009 0.000 1.056 796 S CB 0.351 63.554 63.200 0.005 0.000 0.853 796 S HN 0.828 nan 8.310 nan 0.000 0.505 797 E N 1.323 121.527 120.200 0.006 0.000 2.356 797 E HA 0.583 4.947 4.350 0.025 0.000 0.275 797 E C 0.457 177.067 176.600 0.015 0.000 0.904 797 E CA -0.353 56.055 56.400 0.015 0.000 0.757 797 E CB 1.464 31.168 29.700 0.006 0.000 1.232 797 E HN 0.619 nan 8.360 nan 0.000 0.442 798 A N 1.644 124.479 122.820 0.026 0.000 1.948 798 A HA -0.218 4.117 4.320 0.025 0.000 0.220 798 A C 2.011 179.606 177.584 0.018 0.000 1.177 798 A CA 2.558 54.609 52.037 0.025 0.000 0.636 798 A CB -0.895 18.125 19.000 0.033 0.000 0.815 798 A HN 0.666 nan 8.150 nan 0.000 0.449 799 T N -3.251 111.313 114.554 0.017 0.000 3.055 799 T HA 0.051 4.416 4.350 0.025 0.000 0.265 799 T C 0.891 175.590 174.700 -0.001 0.000 1.111 799 T CA 0.887 62.993 62.100 0.010 0.000 1.118 799 T CB -0.132 68.743 68.868 0.012 0.000 0.909 799 T HN 0.368 nan 8.240 nan 0.000 0.501 800 R N 0.998 121.495 120.500 -0.006 0.000 3.101 800 R HA 0.271 4.626 4.340 0.025 0.000 0.242 800 R C -1.289 175.000 176.300 -0.018 0.000 1.831 800 R CA -0.657 55.432 56.100 -0.017 0.000 1.321 800 R CB 0.266 30.548 30.300 -0.030 0.000 1.512 800 R HN 0.213 nan 8.270 nan 0.000 0.568 801 I N 2.074 122.636 120.570 -0.013 0.000 2.775 801 I HA -0.077 4.107 4.170 0.025 0.000 0.290 801 I C 0.625 176.725 176.117 -0.029 0.000 1.203 801 I CA 0.328 61.619 61.300 -0.015 0.000 1.433 801 I CB 0.315 38.309 38.000 -0.010 0.000 1.354 801 I HN 0.429 nan 8.210 nan 0.000 0.579 802 D N 9.375 129.755 120.400 -0.034 0.000 2.467 802 D HA 0.281 4.936 4.640 0.025 0.000 0.220 802 D C -1.780 174.479 176.300 -0.069 0.000 1.103 802 D CA -2.214 51.757 54.000 -0.049 0.000 0.886 802 D CB 1.478 42.252 40.800 -0.044 0.000 1.025 802 D HN 0.188 nan 8.370 nan 0.000 0.514 803 P HA -0.094 nan 4.420 nan 0.000 0.228 803 P C 0.938 178.150 177.300 -0.147 0.000 1.151 803 P CA 0.647 63.692 63.100 -0.092 0.000 0.770 803 P CB 0.170 31.824 31.700 -0.076 0.000 0.786 804 N N -0.295 118.311 118.700 -0.156 0.000 2.446 804 N HA 0.005 4.760 4.740 0.025 0.000 0.179 804 N C 0.452 175.779 175.510 -0.306 0.000 1.054 804 N CA -0.133 52.782 53.050 -0.225 0.000 0.905 804 N CB 0.003 38.385 38.487 -0.175 0.000 0.973 804 N HN -0.025 nan 8.380 nan 0.000 0.448 805 A N 0.343 123.028 122.820 -0.224 0.000 2.483 805 A HA 0.005 4.340 4.320 0.025 0.000 0.238 805 A C 0.556 177.932 177.584 -0.348 0.000 1.070 805 A CA -0.349 51.553 52.037 -0.225 0.000 0.770 805 A CB -0.133 18.812 19.000 -0.091 0.000 1.008 805 A HN 0.463 nan 8.150 nan 0.000 0.497 806 W N 1.520 122.573 121.300 -0.412 0.000 2.318 806 W HA -0.186 4.488 4.660 0.024 0.000 0.313 806 W C 2.250 178.202 176.519 -0.945 0.000 1.221 806 W CA 1.789 58.614 57.345 -0.867 0.000 1.266 806 W CB -0.439 28.374 29.460 -1.077 0.000 1.150 806 W HN 0.550 nan 8.180 nan 0.000 0.496 807 V N 0.918 120.720 119.914 -0.186 0.000 2.392 807 V HA -0.275 3.860 4.120 0.025 0.000 0.249 807 V C 2.131 178.314 176.094 0.149 0.000 1.059 807 V CA 2.174 64.581 62.300 0.178 0.000 1.051 807 V CB -0.355 31.607 31.823 0.232 0.000 0.658 807 V HN 0.103 nan 8.190 nan 0.000 0.455 808 E N -0.128 120.063 120.200 -0.014 0.000 2.152 808 E HA -0.152 4.213 4.350 0.025 0.000 0.192 808 E C 2.320 178.884 176.600 -0.061 0.000 0.983 808 E CA 0.929 57.319 56.400 -0.016 0.000 0.818 808 E CB -0.284 29.382 29.700 -0.057 0.000 0.758 808 E HN 0.629 nan 8.360 nan 0.000 0.467 809 R N -0.119 120.265 120.500 -0.194 0.000 2.075 809 R HA -0.102 4.253 4.340 0.025 0.000 0.232 809 R C 2.277 178.504 176.300 -0.121 0.000 1.126 809 R CA 1.267 57.230 56.100 -0.228 0.000 0.963 809 R CB -0.177 29.869 30.300 -0.424 0.000 0.858 809 R HN 0.231 nan 8.270 nan 0.000 0.435 810 W N 1.545 122.799 121.300 -0.077 0.000 2.358 810 W HA -0.060 4.615 4.660 0.025 0.000 0.303 810 W C 1.910 178.375 176.519 -0.089 0.000 1.208 810 W CA 0.669 57.856 57.345 -0.263 0.000 1.274 810 W CB -0.644 28.778 29.460 -0.063 0.000 1.138 810 W HN 0.104 nan 8.180 nan 0.000 0.515 811 K N 0.216 120.830 120.400 0.357 0.000 2.009 811 K HA -0.117 4.218 4.320 0.025 0.000 0.210 811 K C 2.298 178.960 176.600 0.104 0.000 1.049 811 K CA 1.918 58.385 56.287 0.300 0.000 0.929 811 K CB -0.661 31.970 32.500 0.219 0.000 0.714 811 K HN -0.023 nan 8.250 nan 0.000 0.440 812 A N 1.221 124.071 122.820 0.051 0.000 1.978 812 A HA -0.132 4.203 4.320 0.025 0.000 0.220 812 A C 2.225 179.799 177.584 -0.017 0.000 1.170 812 A CA 1.916 53.963 52.037 0.016 0.000 0.636 812 A CB -0.610 18.390 19.000 0.001 0.000 0.810 812 A HN 0.363 nan 8.150 nan 0.000 0.448 813 A N -2.064 120.719 122.820 -0.061 0.000 2.208 813 A HA 0.400 4.735 4.320 0.025 0.000 0.209 813 A C 1.839 179.337 177.584 -0.144 0.000 1.161 813 A CA 1.245 53.252 52.037 -0.049 0.000 0.782 813 A CB -0.836 18.110 19.000 -0.090 0.000 0.816 813 A HN 1.906 nan 8.150 nan 0.000 0.477 814 G N -1.559 107.044 108.800 -0.329 0.000 2.141 814 G HA2 -0.304 3.671 3.960 0.025 0.000 0.242 814 G HA3 -0.304 3.671 3.960 0.025 0.000 0.242 814 G C 0.604 175.507 174.900 0.005 0.000 0.982 814 G CA 0.660 45.373 45.100 -0.644 0.000 0.662 814 G HN 0.741 nan 8.290 nan 0.000 0.527 815 H N -1.425 117.622 119.070 -0.038 0.000 2.387 815 H HA -0.102 4.469 4.556 0.025 0.000 0.299 815 H C 2.112 177.414 175.328 -0.044 0.000 1.099 815 H CA 1.631 57.673 56.048 -0.010 0.000 1.315 815 H CB 0.086 29.772 29.762 -0.126 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N -0.022 120.409 120.300 0.219 0.000 2.523 816 Y HA -0.049 4.516 4.550 0.025 0.000 0.279 816 Y C 1.913 177.901 175.900 0.146 0.000 1.139 816 Y CA 0.074 58.262 58.100 0.147 0.000 1.296 816 Y CB 0.572 39.102 38.460 0.116 0.000 1.045 816 Y HN 0.139 nan 8.280 nan 0.000 0.538 817 Q N -0.250 119.722 119.800 0.288 0.000 2.317 817 Q HA 0.306 4.661 4.340 0.025 0.000 0.220 817 Q C 0.767 176.953 176.000 0.309 0.000 0.873 817 Q CA 0.127 56.090 55.803 0.267 0.000 0.936 817 Q CB 0.199 29.088 28.738 0.252 0.000 1.105 817 Q HN 0.262 nan 8.270 nan 0.000 0.520 818 A N 2.531 125.558 122.820 0.344 0.000 2.531 818 A HA 0.138 4.473 4.320 0.025 0.000 0.236 818 A C 0.135 178.017 177.584 0.498 0.000 1.062 818 A CA 0.248 52.548 52.037 0.438 0.000 0.760 818 A CB 0.080 19.370 19.000 0.483 0.000 0.995 818 A HN 0.187 nan 8.150 nan 0.000 0.501 819 E N 1.410 121.821 120.200 0.352 0.000 2.238 819 E HA 0.593 4.958 4.350 0.025 0.000 0.267 819 E C -0.488 176.039 176.600 -0.121 0.000 0.887 819 E CA -0.920 55.601 56.400 0.202 0.000 0.769 819 E CB 1.708 31.492 29.700 0.141 0.000 1.187 819 E HN 0.734 nan 8.360 nan 0.000 0.416 820 A N 1.944 124.542 122.820 -0.370 0.000 2.522 820 A HA 0.416 4.751 4.320 0.025 0.000 0.256 820 A C -0.013 177.413 177.584 -0.264 0.000 1.086 820 A CA 0.184 51.759 52.037 -0.769 0.000 0.763 820 A CB -0.131 18.631 19.000 -0.397 0.000 1.024 820 A HN 0.638 nan 8.150 nan 0.000 0.502 821 A N 3.159 125.826 122.820 -0.256 0.000 2.287 821 A HA 0.583 4.918 4.320 0.025 0.000 0.317 821 A C -0.355 177.180 177.584 -0.082 0.000 1.220 821 A CA -0.586 51.395 52.037 -0.093 0.000 0.835 821 A CB 0.512 19.473 19.000 -0.065 0.000 1.180 821 A HN 1.177 nan 8.150 nan 0.000 0.500 822 L N 2.954 124.126 121.223 -0.085 0.000 2.410 822 L HA 0.308 4.663 4.340 0.025 0.000 0.273 822 L C 0.512 177.271 176.870 -0.186 0.000 1.152 822 L CA 0.417 55.114 54.840 -0.239 0.000 0.855 822 L CB 0.382 42.310 42.059 -0.218 0.000 1.129 822 L HN 0.779 nan 8.230 nan 0.000 0.463 823 L N 3.080 124.169 121.223 -0.224 0.000 2.500 823 L HA 0.326 4.681 4.340 0.025 0.000 0.219 823 L C 0.356 177.161 176.870 -0.108 0.000 1.057 823 L CA 0.013 54.784 54.840 -0.115 0.000 0.854 823 L CB 0.017 42.037 42.059 -0.066 0.000 1.078 823 L HN 0.713 nan 8.230 nan 0.000 0.480 824 Q N -0.142 119.561 119.800 -0.161 0.000 2.386 824 Q HA 0.323 4.678 4.340 0.025 0.000 0.274 824 Q C -2.059 173.883 176.000 -0.097 0.000 1.011 824 Q CA -0.533 55.213 55.803 -0.095 0.000 0.867 824 Q CB 3.109 31.817 28.738 -0.051 0.000 1.409 824 Q HN 0.071 nan 8.270 nan 0.000 0.395 825 C N 3.438 122.729 119.300 -0.015 0.000 2.919 825 C HA 0.704 5.179 4.460 0.025 0.000 0.337 825 C C -0.660 174.451 174.990 0.201 0.000 1.039 825 C CA 0.410 59.468 59.018 0.067 0.000 1.373 825 C CB 0.320 28.098 27.740 0.063 0.000 1.843 825 C HN 0.816 nan 8.230 nan 0.000 0.493 826 T N 2.270 116.867 114.554 0.072 0.000 2.930 826 T HA 0.909 5.274 4.350 0.025 0.000 0.290 826 T C -0.422 174.018 174.700 -0.432 0.000 1.052 826 T CA -0.338 61.724 62.100 -0.064 0.000 1.017 826 T CB 1.988 70.808 68.868 -0.080 0.000 1.137 826 T HN 1.597 nan 8.240 nan 0.000 0.511 827 A N 1.457 123.829 122.820 -0.748 0.000 2.374 827 A HA 0.739 5.074 4.320 0.025 0.000 0.305 827 A C -1.196 176.101 177.584 -0.478 0.000 1.053 827 A CA -0.734 50.780 52.037 -0.871 0.000 0.726 827 A CB 1.303 19.349 19.000 -1.590 0.000 1.229 827 A HN 0.872 nan 8.150 nan 0.000 0.431 828 D N 0.968 121.163 120.400 -0.342 0.000 2.645 828 D HA 0.594 5.249 4.640 0.025 0.000 0.228 828 D C -0.660 175.526 176.300 -0.191 0.000 1.148 828 D CA 0.059 53.926 54.000 -0.221 0.000 0.860 828 D CB 2.423 43.127 40.800 -0.159 0.000 1.548 828 D HN 0.640 nan 8.370 nan 0.000 0.460 829 T N -0.678 113.789 114.554 -0.144 0.000 2.824 829 T HA 0.719 5.084 4.350 0.025 0.000 0.280 829 T C 0.251 174.899 174.700 -0.086 0.000 0.995 829 T CA -0.677 61.351 62.100 -0.120 0.000 1.009 829 T CB 1.013 69.817 68.868 -0.107 0.000 0.955 829 T HN 0.201 nan 8.240 nan 0.000 0.452 830 L N 1.823 123.001 121.223 -0.075 0.000 2.347 830 L HA 0.680 5.034 4.340 0.025 0.000 0.268 830 L C 2.148 178.994 176.870 -0.039 0.000 1.019 830 L CA -1.437 53.370 54.840 -0.054 0.000 0.806 830 L CB 0.377 42.405 42.059 -0.052 0.000 1.339 830 L HN 0.797 nan 8.230 nan 0.000 0.463 831 A N 0.637 123.440 122.820 -0.027 0.000 1.892 831 A HA -0.206 4.129 4.320 0.025 0.000 0.218 831 A C 1.174 178.750 177.584 -0.013 0.000 1.188 831 A CA 2.321 54.348 52.037 -0.016 0.000 0.631 831 A CB -0.592 18.402 19.000 -0.010 0.000 0.822 831 A HN 0.912 nan 8.150 nan 0.000 0.447 832 D N -2.483 117.906 120.400 -0.017 0.000 2.535 832 D HA 0.570 5.225 4.640 0.025 0.000 0.229 832 D C 0.010 176.294 176.300 -0.027 0.000 1.238 832 D CA 0.638 54.630 54.000 -0.013 0.000 0.824 832 D CB -0.187 40.607 40.800 -0.010 0.000 1.045 832 D HN 0.538 nan 8.370 nan 0.000 0.500 833 A N -0.645 122.149 122.820 -0.043 0.000 2.564 833 A HA 0.642 4.977 4.320 0.025 0.000 0.291 833 A C -1.744 175.786 177.584 -0.090 0.000 1.102 833 A CA -0.702 51.294 52.037 -0.067 0.000 0.660 833 A CB 1.536 20.496 19.000 -0.066 0.000 1.283 833 A HN 0.004 nan 8.150 nan 0.000 0.430 834 V N 0.502 120.342 119.914 -0.123 0.000 2.555 834 V HA 0.655 4.789 4.120 0.025 0.000 0.302 834 V C -1.095 174.893 176.094 -0.177 0.000 1.038 834 V CA -0.484 61.722 62.300 -0.156 0.000 0.887 834 V CB 1.532 33.255 31.823 -0.167 0.000 0.991 834 V HN 0.861 nan 8.190 nan 0.000 0.434 835 L N 6.097 127.203 121.223 -0.194 0.000 2.349 835 L HA 0.640 4.995 4.340 0.025 0.000 0.278 835 L C -0.873 175.840 176.870 -0.263 0.000 0.996 835 L CA -0.018 54.713 54.840 -0.182 0.000 0.825 835 L CB 1.291 43.268 42.059 -0.136 0.000 1.243 835 L HN 0.398 nan 8.230 nan 0.000 0.412 836 I N 4.101 124.502 120.570 -0.281 0.000 2.377 836 I HA 0.439 4.624 4.170 0.025 0.000 0.293 836 I C 0.019 176.069 176.117 -0.112 0.000 0.987 836 I CA -0.227 60.848 61.300 -0.375 0.000 1.185 836 I CB 1.513 39.008 38.000 -0.841 0.000 1.341 836 I HN 0.562 nan 8.210 nan 0.000 0.455 837 T N 4.867 119.364 114.554 -0.095 0.000 2.807 837 T HA 0.672 5.037 4.350 0.025 0.000 0.279 837 T C 0.119 174.844 174.700 0.041 0.000 0.993 837 T CA -0.566 61.535 62.100 0.002 0.000 0.970 837 T CB 1.836 70.683 68.868 -0.034 0.000 0.950 837 T HN 0.767 nan 8.240 nan 0.000 0.441 838 T N -0.631 113.985 114.554 0.104 0.000 2.896 838 T HA 0.868 5.233 4.350 0.025 0.000 0.297 838 T C -1.190 173.529 174.700 0.032 0.000 1.108 838 T CA -1.066 61.067 62.100 0.056 0.000 1.004 838 T CB 2.002 70.973 68.868 0.170 0.000 1.159 838 T HN 0.799 nan 8.240 nan 0.000 0.499 839 A N 1.505 124.252 122.820 -0.121 0.000 2.455 839 A HA 0.795 5.129 4.320 0.025 0.000 0.300 839 A C -1.438 175.996 177.584 -0.250 0.000 1.040 839 A CA -0.786 51.227 52.037 -0.039 0.000 0.697 839 A CB 0.952 19.953 19.000 0.001 0.000 1.265 839 A HN 1.006 nan 8.150 nan 0.000 0.407 840 H N -0.063 119.062 119.070 0.092 0.000 2.821 840 H HA 0.786 5.357 4.556 0.025 0.000 0.373 840 H C -0.069 175.291 175.328 0.054 0.000 1.165 840 H CA 0.247 56.273 56.048 -0.037 0.000 1.154 840 H CB 2.149 31.785 29.762 -0.210 0.000 1.765 840 H HN 0.995 nan 8.280 nan 0.000 0.549 841 A N 1.651 124.494 122.820 0.039 0.000 2.365 841 A HA 0.467 4.802 4.320 0.025 0.000 0.318 841 A C -1.400 176.176 177.584 -0.013 0.000 1.091 841 A CA -0.699 51.428 52.037 0.150 0.000 0.763 841 A CB 1.213 20.272 19.000 0.098 0.000 1.248 841 A HN 0.587 nan 8.150 nan 0.000 0.442 842 W N 1.908 123.326 121.300 0.197 0.000 2.417 842 W HA 0.444 5.119 4.660 0.025 0.000 0.315 842 W C -0.473 176.080 176.519 0.057 0.000 1.045 842 W CA -0.103 57.359 57.345 0.195 0.000 1.221 842 W CB 1.772 31.419 29.460 0.313 0.000 1.309 842 W HN 0.793 nan 8.180 nan 0.000 0.453 843 Q N 1.644 121.587 119.800 0.238 0.000 2.458 843 Q HA 0.466 4.821 4.340 0.025 0.000 0.282 843 Q C -0.921 175.212 176.000 0.222 0.000 1.106 843 Q CA -0.881 55.017 55.803 0.159 0.000 0.814 843 Q CB 3.656 32.445 28.738 0.085 0.000 1.425 843 Q HN 0.366 nan 8.270 nan 0.000 0.437 844 H N 1.272 120.380 119.070 0.063 0.000 3.042 844 H HA 0.067 4.638 4.556 0.025 0.000 0.345 844 H C -1.083 174.278 175.328 0.054 0.000 1.052 844 H CA -0.230 55.864 56.048 0.076 0.000 1.311 844 H CB 1.342 31.165 29.762 0.101 0.000 1.810 844 H HN 0.669 nan 8.280 nan 0.000 0.505 845 Q N 2.877 122.372 119.800 -0.509 0.000 2.435 845 Q HA -0.184 4.171 4.340 0.025 0.000 0.312 845 Q C 1.079 177.014 176.000 -0.108 0.000 1.333 845 Q CA 1.737 57.352 55.803 -0.315 0.000 0.883 845 Q CB -1.723 26.832 28.738 -0.306 0.000 1.170 845 Q HN 1.185 nan 8.270 nan 0.000 0.443 846 G N -1.041 107.719 108.800 -0.066 0.000 2.168 846 G HA2 -0.410 3.565 3.960 0.025 0.000 0.263 846 G HA3 -0.410 3.565 3.960 0.025 0.000 0.263 846 G C 0.090 174.993 174.900 0.005 0.000 0.977 846 G CA 0.708 45.796 45.100 -0.019 0.000 0.659 846 G HN 0.605 nan 8.290 nan 0.000 0.533 847 K N 0.564 120.976 120.400 0.020 0.000 2.164 847 K HA 0.610 4.945 4.320 0.025 0.000 0.258 847 K C -0.213 176.404 176.600 0.028 0.000 0.951 847 K CA -0.390 55.914 56.287 0.029 0.000 0.844 847 K CB 1.028 33.552 32.500 0.041 0.000 1.099 847 K HN -0.031 nan 8.250 nan 0.000 0.435 848 T N 5.421 119.983 114.554 0.013 0.000 2.727 848 T HA 0.182 4.547 4.350 0.025 0.000 0.295 848 T C 1.176 175.824 174.700 -0.087 0.000 0.915 848 T CA -0.408 61.696 62.100 0.007 0.000 1.066 848 T CB 0.387 69.276 68.868 0.035 0.000 0.891 848 T HN 0.544 nan 8.240 nan 0.000 0.516 849 L N 2.516 123.598 121.223 -0.235 0.000 2.084 849 L HA 0.310 4.665 4.340 0.025 0.000 0.202 849 L C 0.010 176.345 176.870 -0.892 0.000 1.074 849 L CA 0.985 55.398 54.840 -0.712 0.000 0.757 849 L CB -0.026 41.215 42.059 -1.364 0.000 0.918 849 L HN 0.521 nan 8.230 nan 0.000 0.444 850 F N -1.162 118.745 119.950 -0.072 0.000 2.599 850 F HA 0.590 5.131 4.527 0.025 0.000 0.311 850 F C -0.452 175.454 175.800 0.176 0.000 1.076 850 F CA -0.818 57.072 58.000 -0.185 0.000 0.937 850 F CB 1.988 40.439 39.000 -0.915 0.000 1.282 850 F HN -0.314 nan 8.300 nan 0.000 0.460 851 I N 1.398 122.194 120.570 0.376 0.000 2.498 851 I HA 0.396 4.581 4.170 0.025 0.000 0.290 851 I C -0.873 175.513 176.117 0.449 0.000 1.032 851 I CA -0.552 61.002 61.300 0.422 0.000 1.073 851 I CB 2.253 40.406 38.000 0.254 0.000 1.251 851 I HN 0.567 nan 8.210 nan 0.000 0.426 852 S N 6.691 122.754 115.700 0.605 0.000 2.519 852 S HA 0.601 5.086 4.470 0.025 0.000 0.309 852 S C -0.754 174.083 174.600 0.396 0.000 1.100 852 S CA -0.675 57.837 58.200 0.521 0.000 1.059 852 S CB 0.873 64.514 63.200 0.734 0.000 1.008 852 S HN 0.568 nan 8.310 nan 0.000 0.478 853 R N 3.255 123.908 120.500 0.255 0.000 2.494 853 R HA 0.601 4.956 4.340 0.025 0.000 0.305 853 R C -0.740 175.627 176.300 0.113 0.000 0.959 853 R CA -0.797 55.408 56.100 0.176 0.000 0.864 853 R CB 1.878 32.253 30.300 0.125 0.000 1.159 853 R HN 0.577 nan 8.270 nan 0.000 0.446 854 K N 0.596 121.055 120.400 0.098 0.000 2.480 854 K HA 0.471 4.806 4.320 0.025 0.000 0.258 854 K C -0.867 175.712 176.600 -0.035 0.000 0.990 854 K CA -0.939 55.331 56.287 -0.027 0.000 0.857 854 K CB 2.506 34.959 32.500 -0.078 0.000 1.384 854 K HN 0.644 nan 8.250 nan 0.000 0.446 855 T N -1.557 112.905 114.554 -0.153 0.000 2.900 855 T HA 0.566 4.931 4.350 0.025 0.000 0.295 855 T C -1.277 173.293 174.700 -0.216 0.000 1.044 855 T CA -0.736 61.314 62.100 -0.084 0.000 0.995 855 T CB 0.588 69.430 68.868 -0.042 0.000 1.072 855 T HN 0.413 nan 8.240 nan 0.000 0.473 856 Y N 0.685 120.950 120.300 -0.058 0.000 2.338 856 Y HA 0.606 5.171 4.550 0.025 0.000 0.333 856 Y C 0.439 176.270 175.900 -0.116 0.000 0.968 856 Y CA -1.010 57.072 58.100 -0.029 0.000 1.123 856 Y CB 1.977 40.435 38.460 -0.002 0.000 1.165 856 Y HN 0.625 nan 8.280 nan 0.000 0.452 857 R N 4.771 125.291 120.500 0.034 0.000 2.360 857 R HA 0.609 4.963 4.340 0.025 0.000 0.318 857 R C -1.533 174.709 176.300 -0.095 0.000 0.950 857 R CA -0.397 55.675 56.100 -0.046 0.000 0.837 857 R CB 0.653 30.934 30.300 -0.032 0.000 1.165 857 R HN 0.757 nan 8.270 nan 0.000 0.458 858 I N 5.083 125.540 120.570 -0.188 0.000 2.339 858 I HA 0.195 4.380 4.170 0.025 0.000 0.290 858 I C -0.171 175.820 176.117 -0.210 0.000 0.994 858 I CA -0.737 60.373 61.300 -0.318 0.000 1.191 858 I CB 1.444 39.056 38.000 -0.647 0.000 1.343 858 I HN 0.680 nan 8.210 nan 0.000 0.458 859 D N 4.352 124.665 120.400 -0.146 0.000 2.592 859 D HA 0.247 4.902 4.640 0.025 0.000 0.259 859 D C 1.237 177.516 176.300 -0.036 0.000 1.144 859 D CA -0.719 53.236 54.000 -0.075 0.000 1.080 859 D CB 0.897 41.672 40.800 -0.041 0.000 1.225 859 D HN 0.485 nan 8.370 nan 0.000 0.619 860 G N -1.010 107.783 108.800 -0.011 0.000 2.479 860 G HA2 -0.232 3.743 3.960 0.025 0.000 0.220 860 G HA3 -0.232 3.743 3.960 0.025 0.000 0.220 860 G C 1.210 176.122 174.900 0.020 0.000 1.115 860 G CA 1.310 46.419 45.100 0.016 0.000 0.757 860 G HN 0.580 nan 8.290 nan 0.000 0.560 861 S N -1.045 114.659 115.700 0.005 0.000 2.558 861 S HA 0.374 4.859 4.470 0.025 0.000 0.217 861 S C 1.884 176.524 174.600 0.067 0.000 0.975 861 S CA 0.912 59.119 58.200 0.012 0.000 0.912 861 S CB 0.056 63.255 63.200 -0.002 0.000 0.776 861 S HN 1.493 nan 8.310 nan 0.000 0.526 862 G N 0.224 109.078 108.800 0.089 0.000 2.176 862 G HA2 -0.276 3.699 3.960 0.025 0.000 0.253 862 G HA3 -0.276 3.699 3.960 0.025 0.000 0.253 862 G C -0.103 174.910 174.900 0.188 0.000 0.979 862 G CA 0.210 45.433 45.100 0.205 0.000 0.641 862 G HN 0.612 nan 8.290 nan 0.000 0.530 863 Q N -0.283 119.571 119.800 0.089 0.000 2.259 863 Q HA 0.692 5.047 4.340 0.025 0.000 0.249 863 Q C 0.380 176.400 176.000 0.032 0.000 0.914 863 Q CA -0.227 55.638 55.803 0.104 0.000 0.904 863 Q CB 0.984 29.771 28.738 0.082 0.000 1.213 863 Q HN 0.440 nan 8.270 nan 0.000 0.428 864 M N 2.469 122.131 119.600 0.104 0.000 2.066 864 M HA 0.544 5.039 4.480 0.025 0.000 0.340 864 M C -1.352 175.039 176.300 0.151 0.000 1.053 864 M CA -0.545 54.782 55.300 0.044 0.000 0.983 864 M CB 0.866 33.523 32.600 0.093 0.000 1.520 864 M HN 0.680 nan 8.290 nan 0.000 0.428 865 A N 7.069 129.942 122.820 0.088 0.000 2.276 865 A HA 0.633 4.968 4.320 0.025 0.000 0.300 865 A C -0.698 176.919 177.584 0.056 0.000 1.235 865 A CA -0.557 51.534 52.037 0.090 0.000 0.867 865 A CB -0.012 19.022 19.000 0.055 0.000 1.137 865 A HN 0.920 nan 8.150 nan 0.000 0.527 866 I N 2.714 123.311 120.570 0.044 0.000 2.362 866 I HA 0.292 4.477 4.170 0.025 0.000 0.289 866 I C -0.128 175.888 176.117 -0.168 0.000 0.994 866 I CA -0.185 61.045 61.300 -0.117 0.000 1.158 866 I CB 1.956 39.916 38.000 -0.066 0.000 1.315 866 I HN 0.489 nan 8.210 nan 0.000 0.451 867 T N 5.826 120.241 114.554 -0.232 0.000 2.794 867 T HA 0.539 4.904 4.350 0.025 0.000 0.280 867 T C -0.235 174.261 174.700 -0.339 0.000 0.987 867 T CA -0.473 61.486 62.100 -0.235 0.000 0.993 867 T CB 1.926 70.752 68.868 -0.070 0.000 0.939 867 T HN 0.209 nan 8.240 nan 0.000 0.449 868 V N 3.668 123.255 119.914 -0.546 0.000 2.531 868 V HA 0.455 4.589 4.120 0.025 0.000 0.301 868 V C -0.725 175.193 176.094 -0.293 0.000 1.034 868 V CA -0.897 61.099 62.300 -0.507 0.000 0.865 868 V CB 1.956 33.206 31.823 -0.956 0.000 0.995 868 V HN 0.845 nan 8.190 nan 0.000 0.424 869 D N 3.434 123.823 120.400 -0.018 0.000 2.481 869 D HA 0.549 5.204 4.640 0.025 0.000 0.246 869 D C -0.938 175.477 176.300 0.192 0.000 1.109 869 D CA -0.080 54.005 54.000 0.142 0.000 0.845 869 D CB 2.710 43.618 40.800 0.179 0.000 1.160 869 D HN 0.254 nan 8.370 nan 0.000 0.534 870 V N 2.400 122.467 119.914 0.256 0.000 2.715 870 V HA 0.332 4.467 4.120 0.025 0.000 0.310 870 V C -0.035 176.199 176.094 0.234 0.000 1.054 870 V CA -0.701 61.765 62.300 0.276 0.000 0.928 870 V CB 2.479 34.508 31.823 0.343 0.000 1.007 870 V HN 0.366 nan 8.190 nan 0.000 0.437 871 E N 2.380 122.703 120.200 0.205 0.000 2.199 871 E HA 0.641 5.006 4.350 0.025 0.000 0.269 871 E C -1.605 175.102 176.600 0.178 0.000 0.899 871 E CA -0.644 55.854 56.400 0.165 0.000 0.772 871 E CB 2.636 32.416 29.700 0.134 0.000 1.155 871 E HN 0.384 nan 8.360 nan 0.000 0.408 872 V N 2.064 122.085 119.914 0.178 0.000 2.407 872 V HA 0.379 4.514 4.120 0.025 0.000 0.291 872 V C 0.150 176.325 176.094 0.135 0.000 1.018 872 V CA -0.947 61.478 62.300 0.208 0.000 0.842 872 V CB 1.375 33.362 31.823 0.273 0.000 0.996 872 V HN 0.853 nan 8.190 nan 0.000 0.426 873 A N 3.615 126.470 122.820 0.059 0.000 2.565 873 A HA 0.262 4.597 4.320 0.025 0.000 0.237 873 A C 1.650 179.297 177.584 0.104 0.000 1.053 873 A CA 0.651 52.719 52.037 0.051 0.000 0.755 873 A CB 0.238 19.235 19.000 -0.004 0.000 0.980 873 A HN 1.367 nan 8.150 nan 0.000 0.506 874 S N 0.989 116.748 115.700 0.098 0.000 2.419 874 S HA -0.154 4.331 4.470 0.025 0.000 0.233 874 S C 0.893 175.572 174.600 0.132 0.000 1.016 874 S CA 1.304 59.582 58.200 0.129 0.000 0.974 874 S CB -0.300 62.956 63.200 0.094 0.000 0.786 874 S HN 0.827 nan 8.310 nan 0.000 0.492 875 D N 0.484 120.937 120.400 0.087 0.000 2.328 875 D HA 0.123 4.778 4.640 0.025 0.000 0.221 875 D C 0.535 176.876 176.300 0.067 0.000 1.072 875 D CA 0.057 54.096 54.000 0.064 0.000 0.850 875 D CB -0.425 40.398 40.800 0.039 0.000 0.922 875 D HN 0.325 nan 8.370 nan 0.000 0.516 876 T N 1.694 116.314 114.554 0.110 0.000 2.922 876 T HA 0.357 4.722 4.350 0.025 0.000 0.285 876 T C -2.568 172.251 174.700 0.197 0.000 1.005 876 T CA -1.888 60.303 62.100 0.152 0.000 1.061 876 T CB 1.237 70.207 68.868 0.170 0.000 1.007 876 T HN -0.126 nan 8.240 nan 0.000 0.502 877 P HA 0.064 nan 4.420 nan 0.000 0.266 877 P C -0.616 177.002 177.300 0.530 0.000 1.195 877 P CA 0.082 63.290 63.100 0.181 0.000 0.768 877 P CB -0.052 31.716 31.700 0.113 0.000 0.838 878 H N 3.692 123.120 119.070 0.598 0.000 3.125 878 H HA 0.052 4.623 4.556 0.025 0.000 0.310 878 H C -1.530 174.149 175.328 0.585 0.000 0.980 878 H CA -1.285 55.062 56.048 0.498 0.000 1.422 878 H CB -0.443 29.548 29.762 0.382 0.000 1.432 878 H HN 0.386 nan 8.280 nan 0.000 0.577 879 P HA 0.004 nan 4.420 nan 0.000 0.274 879 P C 0.179 177.356 177.300 -0.204 0.000 1.237 879 P CA -0.290 62.867 63.100 0.095 0.000 0.793 879 P CB 1.040 32.646 31.700 -0.157 0.000 0.977 880 A N 2.914 125.316 122.820 -0.698 0.000 2.019 880 A HA -0.099 4.236 4.320 0.025 0.000 0.219 880 A C 1.028 178.207 177.584 -0.675 0.000 1.164 880 A CA 1.326 52.930 52.037 -0.722 0.000 0.644 880 A CB -0.563 17.800 19.000 -1.062 0.000 0.805 880 A HN 0.756 nan 8.150 nan 0.000 0.449 881 R N -3.068 117.079 120.500 -0.589 0.000 2.741 881 R HA 0.714 5.069 4.340 0.025 0.000 0.276 881 R C -1.692 174.369 176.300 -0.399 0.000 1.028 881 R CA -0.827 54.950 56.100 -0.537 0.000 0.865 881 R CB 0.708 30.648 30.300 -0.600 0.000 1.268 881 R HN -0.004 nan 8.270 nan 0.000 0.475 882 I N 0.942 121.315 120.570 -0.329 0.000 2.540 882 I HA 0.637 4.822 4.170 0.025 0.000 0.280 882 I C -0.492 175.417 176.117 -0.346 0.000 1.083 882 I CA -0.366 60.781 61.300 -0.255 0.000 1.080 882 I CB 1.864 39.783 38.000 -0.136 0.000 1.205 882 I HN 0.959 nan 8.210 nan 0.000 0.459 883 G N 5.661 114.195 108.800 -0.443 0.000 2.634 883 G HA2 0.769 4.744 3.960 0.025 0.000 0.309 883 G HA3 0.769 4.744 3.960 0.025 0.000 0.309 883 G C -1.701 173.039 174.900 -0.266 0.000 1.299 883 G CA -0.590 44.287 45.100 -0.373 0.000 0.798 883 G HN 0.258 nan 8.290 nan 0.000 0.490 884 L N 0.767 121.883 121.223 -0.178 0.000 2.323 884 L HA 0.657 5.012 4.340 0.025 0.000 0.265 884 L C -0.637 176.132 176.870 -0.169 0.000 1.012 884 L CA -1.146 53.615 54.840 -0.130 0.000 0.820 884 L CB 2.441 44.501 42.059 0.001 0.000 1.334 884 L HN 0.785 nan 8.230 nan 0.000 0.427 885 N N 0.551 119.177 118.700 -0.124 0.000 2.494 885 N HA 0.695 5.450 4.740 0.025 0.000 0.270 885 N C -1.306 174.201 175.510 -0.005 0.000 1.285 885 N CA -0.528 52.477 53.050 -0.075 0.000 0.812 885 N CB 2.386 40.843 38.487 -0.051 0.000 1.557 885 N HN 0.847 nan 8.380 nan 0.000 0.487 886 C N -1.145 118.169 119.300 0.024 0.000 3.312 886 C HA 0.592 5.067 4.460 0.025 0.000 0.332 886 C C -1.147 173.680 174.990 -0.272 0.000 1.340 886 C CA -0.833 58.159 59.018 -0.043 0.000 1.265 886 C CB 1.027 28.759 27.740 -0.013 0.000 1.563 886 C HN 0.845 nan 8.230 nan 0.000 0.471 887 Q N 1.403 120.829 119.800 -0.624 0.000 2.368 887 Q HA 0.631 4.986 4.340 0.025 0.000 0.263 887 Q C -1.011 174.679 176.000 -0.517 0.000 1.009 887 Q CA -0.429 54.721 55.803 -1.089 0.000 0.818 887 Q CB 0.897 28.654 28.738 -1.636 0.000 1.239 887 Q HN 0.779 nan 8.270 nan 0.000 0.464 888 L N 2.591 123.609 121.223 -0.341 0.000 2.426 888 L HA 0.197 4.552 4.340 0.025 0.000 0.271 888 L C 1.197 177.991 176.870 -0.127 0.000 1.169 888 L CA -0.115 54.654 54.840 -0.119 0.000 0.836 888 L CB 0.759 42.848 42.059 0.049 0.000 1.112 888 L HN 0.820 nan 8.230 nan 0.000 0.465 889 A N 2.221 124.997 122.820 -0.073 0.000 2.014 889 A HA -0.025 4.310 4.320 0.025 0.000 0.218 889 A C 0.900 178.464 177.584 -0.032 0.000 1.163 889 A CA 0.761 52.748 52.037 -0.082 0.000 0.652 889 A CB -0.089 18.857 19.000 -0.090 0.000 0.808 889 A HN 0.751 nan 8.150 nan 0.000 0.449 890 Q N -1.279 118.540 119.800 0.032 0.000 2.205 890 Q HA 0.608 4.963 4.340 0.025 0.000 0.249 890 Q C -0.879 175.166 176.000 0.075 0.000 0.948 890 Q CA -0.282 55.539 55.803 0.030 0.000 0.895 890 Q CB 2.020 30.766 28.738 0.014 0.000 1.249 890 Q HN 0.081 nan 8.270 nan 0.000 0.458 891 V N 0.803 120.730 119.914 0.021 0.000 2.495 891 V HA 0.878 5.013 4.120 0.025 0.000 0.298 891 V C -0.754 175.297 176.094 -0.072 0.000 1.031 891 V CA -0.712 61.623 62.300 0.059 0.000 0.871 891 V CB 1.466 33.311 31.823 0.037 0.000 0.988 891 V HN 0.823 nan 8.190 nan 0.000 0.432 892 A N 2.837 125.551 122.820 -0.175 0.000 2.380 892 A HA 0.700 5.035 4.320 0.025 0.000 0.315 892 A C 0.675 178.238 177.584 -0.035 0.000 1.101 892 A CA -0.492 51.364 52.037 -0.303 0.000 0.771 892 A CB 1.317 19.830 19.000 -0.812 0.000 1.287 892 A HN 0.772 nan 8.150 nan 0.000 0.436 893 E N 0.429 120.612 120.200 -0.028 0.000 2.072 893 E HA -0.072 4.293 4.350 0.025 0.000 0.191 893 E C 0.144 176.806 176.600 0.104 0.000 0.985 893 E CA 0.927 57.351 56.400 0.040 0.000 0.801 893 E CB 0.092 29.802 29.700 0.017 0.000 0.750 893 E HN 0.473 nan 8.360 nan 0.000 0.452 894 R N 0.002 120.570 120.500 0.114 0.000 2.892 894 R HA 0.561 4.916 4.340 0.025 0.000 0.265 894 R C -0.517 175.966 176.300 0.304 0.000 1.025 894 R CA -0.886 55.323 56.100 0.181 0.000 0.982 894 R CB 1.798 32.175 30.300 0.129 0.000 1.185 894 R HN -0.186 nan 8.270 nan 0.000 0.484 895 V N 1.783 121.891 119.914 0.324 0.000 2.531 895 V HA 0.372 4.507 4.120 0.025 0.000 0.301 895 V C -0.369 176.006 176.094 0.468 0.000 1.034 895 V CA -0.925 61.607 62.300 0.388 0.000 0.865 895 V CB 1.897 33.886 31.823 0.276 0.000 0.995 895 V HN 0.655 nan 8.190 nan 0.000 0.424 896 N N 4.545 123.497 118.700 0.419 0.000 2.346 896 N HA 0.541 5.296 4.740 0.025 0.000 0.289 896 N C -1.373 174.399 175.510 0.437 0.000 1.027 896 N CA -0.430 52.840 53.050 0.368 0.000 0.864 896 N CB 2.662 41.256 38.487 0.177 0.000 1.370 896 N HN 0.821 nan 8.380 nan 0.000 0.481 897 W N 3.090 124.426 121.300 0.060 0.000 3.118 897 W HA 0.596 5.271 4.660 0.025 0.000 0.328 897 W C -2.028 174.457 176.519 -0.057 0.000 1.239 897 W CA -1.127 56.228 57.345 0.016 0.000 1.176 897 W CB 0.776 30.263 29.460 0.045 0.000 1.433 897 W HN 0.232 nan 8.180 nan 0.000 0.562 898 L N 3.835 125.040 121.223 -0.028 0.000 2.301 898 L HA 0.916 5.271 4.340 0.025 0.000 0.278 898 L C -0.063 176.624 176.870 -0.305 0.000 1.022 898 L CA 0.287 54.903 54.840 -0.373 0.000 0.854 898 L CB 0.701 42.625 42.059 -0.224 0.000 1.226 898 L HN 0.989 nan 8.230 nan 0.000 0.429 899 G N 3.698 112.184 108.800 -0.522 0.000 2.348 899 G HA2 0.247 4.222 3.960 0.025 0.000 0.296 899 G HA3 0.247 4.222 3.960 0.025 0.000 0.296 899 G C -1.672 173.256 174.900 0.046 0.000 1.258 899 G CA -1.014 44.044 45.100 -0.069 0.000 0.868 899 G HN 0.426 nan 8.290 nan 0.000 0.488 900 L N 0.911 122.317 121.223 0.305 0.000 2.349 900 L HA 0.660 5.015 4.340 0.025 0.000 0.275 900 L C 1.033 178.028 176.870 0.208 0.000 1.115 900 L CA 0.588 55.572 54.840 0.239 0.000 0.820 900 L CB 0.820 42.965 42.059 0.143 0.000 1.135 900 L HN 1.177 nan 8.230 nan 0.000 0.445 901 G N 2.478 111.180 108.800 -0.162 0.000 2.348 901 G HA2 0.235 4.210 3.960 0.025 0.000 0.296 901 G HA3 0.235 4.210 3.960 0.025 0.000 0.296 901 G C -2.773 171.330 174.900 -1.328 0.000 1.258 901 G CA -0.261 44.413 45.100 -0.710 0.000 0.868 901 G HN 0.310 nan 8.290 nan 0.000 0.488 902 P HA 0.106 nan 4.420 nan 0.000 0.235 902 P C 0.497 177.598 177.300 -0.333 0.000 1.177 902 P CA 0.587 63.021 63.100 -1.110 0.000 0.785 902 P CB 0.511 31.683 31.700 -0.881 0.000 0.885 903 Q N 0.446 120.047 119.800 -0.332 0.000 2.318 903 Q HA 0.151 4.506 4.340 0.025 0.000 0.222 903 Q C 0.353 176.241 176.000 -0.186 0.000 1.003 903 Q CA -0.631 55.056 55.803 -0.193 0.000 0.936 903 Q CB 0.677 29.317 28.738 -0.163 0.000 1.204 903 Q HN 0.115 nan 8.270 nan 0.000 0.524 904 E N 1.234 121.329 120.200 -0.174 0.000 2.568 904 E HA -0.120 4.245 4.350 0.025 0.000 0.262 904 E C -1.117 175.393 176.600 -0.150 0.000 0.961 904 E CA 0.318 56.599 56.400 -0.198 0.000 0.945 904 E CB 0.247 29.900 29.700 -0.078 0.000 0.924 904 E HN 0.576 nan 8.360 nan 0.000 0.467 905 N N 2.599 121.128 118.700 -0.285 0.000 2.331 905 N HA 0.329 5.083 4.740 0.025 0.000 0.280 905 N C -1.865 173.382 175.510 -0.439 0.000 1.155 905 N CA -0.671 52.263 53.050 -0.194 0.000 0.822 905 N CB 0.734 39.141 38.487 -0.134 0.000 1.619 905 N HN 0.239 nan 8.380 nan 0.000 0.476 906 Y N -0.217 119.989 120.300 -0.156 0.000 2.633 906 Y HA 0.507 5.072 4.550 0.025 0.000 0.339 906 Y C -1.662 174.155 175.900 -0.137 0.000 1.045 906 Y CA -2.059 55.933 58.100 -0.181 0.000 1.098 906 Y CB 1.971 40.319 38.460 -0.187 0.000 1.296 906 Y HN 0.444 nan 8.280 nan 0.000 0.494 907 P HA -0.167 nan 4.420 nan 0.000 0.216 907 P C 0.373 177.526 177.300 -0.246 0.000 1.153 907 P CA 2.094 65.213 63.100 0.032 0.000 0.858 907 P CB 0.203 32.038 31.700 0.225 0.000 0.789 908 D N -2.304 117.741 120.400 -0.591 0.000 2.340 908 D HA 0.006 4.661 4.640 0.025 0.000 0.217 908 D C 0.713 176.862 176.300 -0.251 0.000 1.081 908 D CA 0.092 53.564 54.000 -0.880 0.000 0.842 908 D CB -0.254 39.807 40.800 -1.232 0.000 0.934 908 D HN 0.114 nan 8.370 nan 0.000 0.511 909 R N 1.009 121.459 120.500 -0.083 0.000 2.627 909 R HA 0.196 4.551 4.340 0.025 0.000 0.251 909 R C -0.646 175.685 176.300 0.051 0.000 1.524 909 R CA -0.165 55.953 56.100 0.029 0.000 1.606 909 R CB 0.069 30.395 30.300 0.042 0.000 1.396 909 R HN 0.098 nan 8.270 nan 0.000 0.724 910 L N -1.788 119.473 121.223 0.062 0.000 3.410 910 L HA 0.346 4.701 4.340 0.025 0.000 0.309 910 L C 1.289 178.217 176.870 0.096 0.000 1.254 910 L CA -0.009 54.865 54.840 0.058 0.000 1.048 910 L CB 0.204 42.286 42.059 0.037 0.000 1.442 910 L HN 0.074 nan 8.230 nan 0.000 0.615 911 T N -2.645 111.993 114.554 0.140 0.000 2.821 911 T HA 0.004 4.369 4.350 0.025 0.000 0.267 911 T C 1.809 176.551 174.700 0.072 0.000 1.046 911 T CA 1.317 63.524 62.100 0.180 0.000 1.139 911 T CB -0.329 68.705 68.868 0.277 0.000 0.871 911 T HN 0.377 nan 8.240 nan 0.000 0.454 912 A N 1.775 124.639 122.820 0.072 0.000 2.066 912 A HA 0.622 4.957 4.320 0.025 0.000 0.218 912 A C 1.656 179.316 177.584 0.128 0.000 1.157 912 A CA 0.593 52.617 52.037 -0.021 0.000 0.670 912 A CB -1.016 18.113 19.000 0.216 0.000 0.804 912 A HN 0.855 nan 8.150 nan 0.000 0.453 913 A N -1.121 121.728 122.820 0.048 0.000 2.386 913 A HA 0.439 4.774 4.320 0.025 0.000 0.248 913 A C 0.060 177.674 177.584 0.051 0.000 1.082 913 A CA -0.045 51.983 52.037 -0.015 0.000 0.789 913 A CB -0.123 18.856 19.000 -0.036 0.000 1.025 913 A HN 0.477 nan 8.150 nan 0.000 0.490 914 C N 0.564 119.894 119.300 0.051 0.000 2.493 914 C HA 0.547 5.022 4.460 0.025 0.000 0.326 914 C C -0.097 175.021 174.990 0.213 0.000 1.200 914 C CA -0.452 58.659 59.018 0.155 0.000 1.739 914 C CB 0.790 28.646 27.740 0.193 0.000 2.300 914 C HN 0.780 nan 8.230 nan 0.000 0.500 915 F N 3.664 123.472 119.950 -0.236 0.000 2.444 915 F HA 0.472 5.014 4.527 0.025 0.000 0.360 915 F C 0.360 175.822 175.800 -0.562 0.000 1.106 915 F CA 1.144 58.824 58.000 -0.533 0.000 1.170 915 F CB -0.070 38.035 39.000 -1.492 0.000 1.113 915 F HN 0.618 nan 8.300 nan 0.000 0.521 916 D N 3.183 122.933 120.400 -1.083 0.000 2.879 916 D HA 0.180 4.835 4.640 0.025 0.000 0.346 916 D C -1.648 173.763 176.300 -1.480 0.000 1.390 916 D CA -0.724 52.538 54.000 -1.230 0.000 0.838 916 D CB 1.412 41.386 40.800 -1.378 0.000 1.416 916 D HN 0.469 nan 8.370 nan 0.000 0.493 917 R N 0.675 120.397 120.500 -1.296 0.000 2.229 917 R HA 0.537 4.892 4.340 0.025 0.000 0.332 917 R C -1.416 174.184 176.300 -1.168 0.000 0.989 917 R CA -0.229 55.268 56.100 -1.004 0.000 0.842 917 R CB 0.256 30.211 30.300 -0.574 0.000 1.119 917 R HN 0.288 nan 8.270 nan 0.000 0.456 918 W N 2.511 123.293 121.300 -0.864 0.000 2.719 918 W HA 0.429 5.104 4.660 0.025 0.000 0.352 918 W C -0.514 175.634 176.519 -0.618 0.000 1.085 918 W CA -0.649 56.148 57.345 -0.912 0.000 1.187 918 W CB 1.800 30.228 29.460 -1.721 0.000 1.417 918 W HN 0.410 nan 8.180 nan 0.000 0.557 919 D N 2.308 122.678 120.400 -0.050 0.000 2.763 919 D HA 0.465 5.120 4.640 0.025 0.000 0.235 919 D C -1.595 174.813 176.300 0.181 0.000 1.334 919 D CA -0.167 53.896 54.000 0.105 0.000 0.950 919 D CB 1.122 41.940 40.800 0.031 0.000 1.433 919 D HN 0.395 nan 8.370 nan 0.000 0.580 920 L N 2.929 124.335 121.223 0.305 0.000 2.359 920 L HA 0.564 4.919 4.340 0.025 0.000 0.256 920 L C -2.285 174.706 176.870 0.200 0.000 1.026 920 L CA -2.233 52.746 54.840 0.233 0.000 0.828 920 L CB 2.754 44.984 42.059 0.286 0.000 1.406 920 L HN 0.200 nan 8.230 nan 0.000 0.413 921 P HA -0.001 nan 4.420 nan 0.000 0.269 921 P C 0.534 177.912 177.300 0.129 0.000 1.209 921 P CA -0.272 62.899 63.100 0.118 0.000 0.776 921 P CB 0.821 32.570 31.700 0.081 0.000 0.876 922 L N 3.698 125.003 121.223 0.137 0.000 2.043 922 L HA -0.252 4.103 4.340 0.025 0.000 0.212 922 L C 2.251 179.162 176.870 0.069 0.000 1.075 922 L CA 2.710 57.618 54.840 0.115 0.000 0.752 922 L CB -1.530 40.611 42.059 0.135 0.000 0.891 922 L HN 0.455 nan 8.230 nan 0.000 0.432 923 S N -1.925 113.816 115.700 0.069 0.000 2.419 923 S HA -0.163 4.322 4.470 0.025 0.000 0.233 923 S C 1.602 176.271 174.600 0.115 0.000 1.016 923 S CA 1.029 59.283 58.200 0.090 0.000 0.974 923 S CB -0.760 62.490 63.200 0.084 0.000 0.786 923 S HN 0.506 nan 8.310 nan 0.000 0.492 924 D N 1.291 121.736 120.400 0.075 0.000 2.350 924 D HA 0.057 4.712 4.640 0.025 0.000 0.216 924 D C 1.236 177.543 176.300 0.011 0.000 0.968 924 D CA 0.676 54.701 54.000 0.042 0.000 0.894 924 D CB -0.175 40.656 40.800 0.052 0.000 0.909 924 D HN 0.379 nan 8.370 nan 0.000 0.520 925 M N -0.486 119.129 119.600 0.024 0.000 2.563 925 M HA 0.057 4.552 4.480 0.025 0.000 0.231 925 M C -0.049 176.251 176.300 -0.000 0.000 1.136 925 M CA -0.011 55.258 55.300 -0.052 0.000 1.026 925 M CB -0.806 31.749 32.600 -0.075 0.000 1.597 925 M HN -0.039 nan 8.290 nan 0.000 0.495 926 Y N -0.259 119.995 120.300 -0.077 0.000 2.409 926 Y HA 0.500 5.065 4.550 0.025 0.000 0.343 926 Y C -0.787 175.068 175.900 -0.075 0.000 0.973 926 Y CA -1.000 57.075 58.100 -0.041 0.000 1.064 926 Y CB 1.340 39.831 38.460 0.051 0.000 1.207 926 Y HN -0.132 nan 8.280 nan 0.000 0.452 927 T N 8.796 122.896 114.554 -0.757 0.000 2.743 927 T HA 0.286 4.651 4.350 0.025 0.000 0.292 927 T C -2.679 171.253 174.700 -1.280 0.000 0.972 927 T CA -1.485 60.092 62.100 -0.872 0.000 0.967 927 T CB 1.057 69.478 68.868 -0.745 0.000 0.926 927 T HN 0.461 nan 8.240 nan 0.000 0.459 928 P HA 0.124 nan 4.420 nan 0.000 0.226 928 P C -0.689 176.478 177.300 -0.221 0.000 1.783 928 P CA -0.432 62.259 63.100 -0.681 0.000 0.980 928 P CB -0.664 30.820 31.700 -0.360 0.000 1.967 929 Y N -0.218 120.010 120.300 -0.119 0.000 2.610 929 Y HA -0.092 4.473 4.550 0.025 0.000 0.332 929 Y C 2.290 178.228 175.900 0.063 0.000 1.201 929 Y CA -0.483 57.600 58.100 -0.027 0.000 1.465 929 Y CB 0.533 38.904 38.460 -0.150 0.000 1.283 929 Y HN -0.075 nan 8.280 nan 0.000 0.563 930 V N 3.258 123.374 119.914 0.337 0.000 2.332 930 V HA -0.314 3.821 4.120 0.025 0.000 0.248 930 V C 0.613 176.871 176.094 0.273 0.000 1.055 930 V CA 1.429 63.917 62.300 0.314 0.000 1.038 930 V CB -0.556 31.492 31.823 0.376 0.000 0.651 930 V HN 0.593 nan 8.190 nan 0.000 0.450 931 F N 3.470 123.461 119.950 0.068 0.000 2.368 931 F HA 0.480 5.022 4.527 0.025 0.000 0.362 931 F C -2.356 173.438 175.800 -0.009 0.000 1.137 931 F CA -3.518 54.462 58.000 -0.033 0.000 1.161 931 F CB 0.468 39.333 39.000 -0.224 0.000 1.265 931 F HN 0.025 nan 8.300 nan 0.000 0.530 932 P HA 0.324 nan 4.420 nan 0.000 0.272 932 P C -1.012 175.965 177.300 -0.537 0.000 1.223 932 P CA -0.056 62.799 63.100 -0.407 0.000 0.784 932 P CB 1.370 32.872 31.700 -0.331 0.000 0.923 933 S N -0.724 114.851 115.700 -0.208 0.000 2.694 933 S HA 0.414 4.899 4.470 0.025 0.000 0.273 933 S C -0.866 173.716 174.600 -0.031 0.000 1.180 933 S CA -0.931 57.188 58.200 -0.135 0.000 0.864 933 S CB 0.183 63.331 63.200 -0.088 0.000 1.198 933 S HN 0.340 nan 8.310 nan 0.000 0.499 934 E N 1.360 121.555 120.200 -0.008 0.000 2.529 934 E HA 0.362 4.727 4.350 0.025 0.000 0.259 934 E C -0.216 176.429 176.600 0.075 0.000 0.966 934 E CA 0.794 57.220 56.400 0.043 0.000 0.937 934 E CB -0.324 29.427 29.700 0.085 0.000 0.923 934 E HN 0.770 nan 8.360 nan 0.000 0.468 935 N N 1.732 120.514 118.700 0.136 0.000 2.927 935 N HA 0.503 5.258 4.740 0.025 0.000 0.248 935 N C 0.161 175.724 175.510 0.089 0.000 1.443 935 N CA -0.521 52.648 53.050 0.199 0.000 0.870 935 N CB 0.999 39.598 38.487 0.187 0.000 1.444 935 N HN 0.688 nan 8.380 nan 0.000 0.519 936 G N -1.256 107.556 108.800 0.020 0.000 2.162 936 G HA2 -0.262 3.713 3.960 0.025 0.000 0.260 936 G HA3 -0.262 3.713 3.960 0.025 0.000 0.260 936 G C -0.235 174.402 174.900 -0.439 0.000 0.976 936 G CA 0.434 45.423 45.100 -0.185 0.000 0.655 936 G HN 0.706 nan 8.290 nan 0.000 0.533 937 L N -0.110 120.776 121.223 -0.561 0.000 2.483 937 L HA 0.702 5.056 4.340 0.025 0.000 0.275 937 L C 0.666 176.954 176.870 -0.971 0.000 1.220 937 L CA 0.320 54.595 54.840 -0.941 0.000 0.833 937 L CB 0.567 41.753 42.059 -1.455 0.000 1.102 937 L HN 0.252 nan 8.230 nan 0.000 0.490 938 R N 2.043 121.898 120.500 -1.076 0.000 2.575 938 R HA 0.526 4.881 4.340 0.025 0.000 0.293 938 R C -1.035 174.929 176.300 -0.560 0.000 0.983 938 R CA -0.281 55.336 56.100 -0.804 0.000 0.887 938 R CB 1.493 31.212 30.300 -0.968 0.000 1.184 938 R HN 0.702 nan 8.270 nan 0.000 0.445 939 C N 0.051 119.170 119.300 -0.302 0.000 2.547 939 C HA 0.747 5.222 4.460 0.025 0.000 0.411 939 C C 1.214 176.193 174.990 -0.018 0.000 1.424 939 C CA 0.040 58.957 59.018 -0.168 0.000 1.848 939 C CB 1.407 29.070 27.740 -0.129 0.000 2.062 939 C HN 1.017 nan 8.230 nan 0.000 0.504 940 G N 1.552 110.354 108.800 0.003 0.000 2.305 940 G HA2 -0.185 3.790 3.960 0.025 0.000 0.287 940 G HA3 -0.185 3.790 3.960 0.025 0.000 0.287 940 G C -0.067 174.920 174.900 0.145 0.000 1.036 940 G CA 0.613 45.770 45.100 0.094 0.000 0.887 940 G HN 0.786 nan 8.290 nan 0.000 0.505 941 T N 0.038 114.545 114.554 -0.079 0.000 2.767 941 T HA 0.527 4.892 4.350 0.025 0.000 0.288 941 T C 1.280 175.664 174.700 -0.528 0.000 0.963 941 T CA -0.661 61.328 62.100 -0.187 0.000 1.019 941 T CB 1.395 70.204 68.868 -0.098 0.000 0.923 941 T HN 0.190 nan 8.240 nan 0.000 0.468 942 R N 1.606 122.032 120.500 -0.122 0.000 2.254 942 R HA 0.286 4.641 4.340 0.025 0.000 0.193 942 R C 0.534 176.864 176.300 0.049 0.000 0.929 942 R CA 0.232 56.315 56.100 -0.028 0.000 1.038 942 R CB 0.343 30.762 30.300 0.198 0.000 1.009 942 R HN 0.693 nan 8.270 nan 0.000 0.512 943 E N 0.433 120.675 120.200 0.070 0.000 2.321 943 E HA 0.339 4.704 4.350 0.025 0.000 0.281 943 E C -1.850 174.901 176.600 0.251 0.000 0.910 943 E CA -0.651 55.875 56.400 0.210 0.000 0.770 943 E CB 1.475 31.261 29.700 0.145 0.000 1.225 943 E HN -0.085 nan 8.360 nan 0.000 0.417 944 L N 4.102 125.535 121.223 0.351 0.000 2.410 944 L HA 0.613 4.968 4.340 0.025 0.000 0.270 944 L C -1.838 175.224 176.870 0.321 0.000 0.983 944 L CA -0.377 54.604 54.840 0.235 0.000 0.822 944 L CB 1.796 43.829 42.059 -0.042 0.000 1.285 944 L HN 0.476 nan 8.230 nan 0.000 0.409 945 N N 4.290 123.150 118.700 0.267 0.000 2.314 945 N HA 0.423 5.178 4.740 0.025 0.000 0.294 945 N C -1.997 173.735 175.510 0.372 0.000 1.029 945 N CA -0.271 52.934 53.050 0.258 0.000 0.845 945 N CB 2.229 40.811 38.487 0.157 0.000 1.321 945 N HN 0.604 nan 8.380 nan 0.000 0.481 946 Y N 1.055 121.491 120.300 0.226 0.000 2.323 946 Y HA 0.405 4.970 4.550 0.025 0.000 0.322 946 Y C 0.579 176.585 175.900 0.177 0.000 1.133 946 Y CA 0.157 58.392 58.100 0.225 0.000 1.093 946 Y CB 0.612 39.267 38.460 0.324 0.000 1.203 946 Y HN 0.860 nan 8.280 nan 0.000 0.427 947 G N 6.468 115.083 108.800 -0.307 0.000 2.574 947 G HA2 -0.279 3.696 3.960 0.025 0.000 0.286 947 G HA3 -0.279 3.696 3.960 0.025 0.000 0.286 947 G C -1.945 172.835 174.900 -0.199 0.000 1.212 947 G CA 0.047 44.974 45.100 -0.287 0.000 0.979 947 G HN 0.583 nan 8.290 nan 0.000 0.557 948 P HA 0.197 nan 4.420 nan 0.000 0.257 948 P C 0.054 177.132 177.300 -0.370 0.000 1.281 948 P CA 0.453 63.366 63.100 -0.312 0.000 0.826 948 P CB 0.019 31.501 31.700 -0.363 0.000 1.237 949 H N 0.401 119.412 119.070 -0.099 0.000 2.472 949 H HA 0.459 5.030 4.556 0.025 0.000 0.335 949 H C -0.135 174.900 175.328 -0.487 0.000 1.136 949 H CA -0.096 55.772 56.048 -0.299 0.000 1.264 949 H CB 1.813 31.204 29.762 -0.618 0.000 1.486 949 H HN 0.086 nan 8.280 nan 0.000 0.517 950 Q N 2.446 121.974 119.800 -0.453 0.000 2.305 950 Q HA 0.235 4.590 4.340 0.025 0.000 0.271 950 Q C -1.598 174.115 176.000 -0.479 0.000 1.046 950 Q CA -0.728 54.895 55.803 -0.300 0.000 0.798 950 Q CB 2.087 30.797 28.738 -0.047 0.000 1.286 950 Q HN 0.583 nan 8.270 nan 0.000 0.435 951 W N 4.128 125.395 121.300 -0.055 0.000 2.532 951 W HA 0.545 5.220 4.660 0.025 0.000 0.321 951 W C -0.261 176.350 176.519 0.154 0.000 1.037 951 W CA -0.720 56.561 57.345 -0.106 0.000 1.220 951 W CB 1.859 31.043 29.460 -0.460 0.000 1.361 951 W HN 0.508 nan 8.180 nan 0.000 0.468 952 R N 1.039 121.781 120.500 0.403 0.000 2.670 952 R HA 0.802 5.157 4.340 0.025 0.000 0.289 952 R C 0.284 176.867 176.300 0.472 0.000 0.965 952 R CA -0.440 55.912 56.100 0.420 0.000 0.899 952 R CB 2.312 32.766 30.300 0.257 0.000 1.173 952 R HN 0.737 nan 8.270 nan 0.000 0.456 953 G N 0.735 109.807 108.800 0.452 0.000 2.566 953 G HA2 0.018 3.993 3.960 0.025 0.000 0.138 953 G HA3 0.018 3.993 3.960 0.025 0.000 0.138 953 G C -1.748 173.283 174.900 0.218 0.000 1.133 953 G CA -0.310 45.026 45.100 0.393 0.000 1.037 953 G HN 0.496 nan 8.290 nan 0.000 0.491 954 D N -0.057 120.461 120.400 0.198 0.000 2.411 954 D HA 0.561 5.216 4.640 0.025 0.000 0.239 954 D C -0.735 175.560 176.300 -0.008 0.000 1.307 954 D CA -0.496 53.502 54.000 -0.004 0.000 0.930 954 D CB 0.127 40.967 40.800 0.067 0.000 1.395 954 D HN 0.536 nan 8.370 nan 0.000 0.536 955 F N -0.256 119.695 119.950 0.001 0.000 2.706 955 F HA 0.747 5.289 4.527 0.025 0.000 0.328 955 F C -0.969 174.791 175.800 -0.067 0.000 1.123 955 F CA -1.011 56.924 58.000 -0.108 0.000 0.978 955 F CB 0.745 39.678 39.000 -0.111 0.000 1.404 955 F HN -0.156 nan 8.300 nan 0.000 0.497 956 Q N 1.563 121.452 119.800 0.147 0.000 2.345 956 Q HA 0.612 4.967 4.340 0.025 0.000 0.268 956 Q C -1.287 174.788 176.000 0.126 0.000 1.054 956 Q CA -0.499 55.302 55.803 -0.003 0.000 0.835 956 Q CB 2.656 31.288 28.738 -0.177 0.000 1.339 956 Q HN 0.852 nan 8.270 nan 0.000 0.447 957 F N -0.915 118.934 119.950 -0.168 0.000 2.662 957 F HA 0.773 5.315 4.527 0.025 0.000 0.312 957 F C -1.355 174.231 175.800 -0.357 0.000 1.113 957 F CA -1.098 56.754 58.000 -0.247 0.000 0.951 957 F CB 1.701 40.563 39.000 -0.230 0.000 1.344 957 F HN 0.552 nan 8.300 nan 0.000 0.462 958 N N 1.414 119.927 118.700 -0.311 0.000 2.284 958 N HA 0.708 5.463 4.740 0.025 0.000 0.289 958 N C -2.116 173.323 175.510 -0.118 0.000 1.179 958 N CA -0.745 52.095 53.050 -0.350 0.000 0.774 958 N CB 2.580 40.886 38.487 -0.302 0.000 1.548 958 N HN 1.117 nan 8.380 nan 0.000 0.473 959 I N 0.514 121.009 120.570 -0.124 0.000 2.610 959 I HA 0.673 4.858 4.170 0.025 0.000 0.289 959 I C -1.428 174.595 176.117 -0.157 0.000 1.163 959 I CA 0.062 61.256 61.300 -0.178 0.000 1.044 959 I CB 1.268 39.094 38.000 -0.290 0.000 1.251 959 I HN 1.039 nan 8.210 nan 0.000 0.424 960 S N 6.075 121.693 115.700 -0.137 0.000 2.636 960 S HA 0.511 4.996 4.470 0.025 0.000 0.266 960 S C -0.117 174.357 174.600 -0.211 0.000 1.147 960 S CA -1.015 57.085 58.200 -0.167 0.000 0.815 960 S CB 1.670 64.819 63.200 -0.085 0.000 1.119 960 S HN 0.612 nan 8.310 nan 0.000 0.470 961 R N -0.218 119.966 120.500 -0.526 0.000 2.319 961 R HA 0.230 4.585 4.340 0.025 0.000 0.204 961 R C -0.796 175.203 176.300 -0.501 0.000 0.954 961 R CA 0.373 56.166 56.100 -0.513 0.000 1.066 961 R CB -0.941 28.974 30.300 -0.641 0.000 0.991 961 R HN 0.668 nan 8.270 nan 0.000 0.486 962 Y N 0.220 120.502 120.300 -0.029 0.000 2.376 962 Y HA 0.197 4.762 4.550 0.025 0.000 0.340 962 Y C 0.724 176.407 175.900 -0.362 0.000 0.965 962 Y CA -1.152 56.841 58.100 -0.178 0.000 1.078 962 Y CB 1.464 39.767 38.460 -0.263 0.000 1.193 962 Y HN -0.097 nan 8.280 nan 0.000 0.452 963 S N 1.504 116.839 115.700 -0.608 0.000 2.593 963 S HA 0.037 4.522 4.470 0.025 0.000 0.269 963 S C 0.879 175.127 174.600 -0.587 0.000 1.334 963 S CA -0.738 56.715 58.200 -1.245 0.000 1.015 963 S CB 1.132 63.471 63.200 -1.435 0.000 0.912 963 S HN 0.731 nan 8.310 nan 0.000 0.541 964 Q N 0.593 120.074 119.800 -0.531 0.000 2.124 964 Q HA -0.182 4.173 4.340 0.025 0.000 0.202 964 Q C 2.232 178.086 176.000 -0.244 0.000 0.977 964 Q CA 1.666 57.300 55.803 -0.281 0.000 0.850 964 Q CB -0.552 28.051 28.738 -0.225 0.000 0.901 964 Q HN 0.950 nan 8.270 nan 0.000 0.429 965 Q N 0.706 120.322 119.800 -0.306 0.000 2.030 965 Q HA -0.246 4.109 4.340 0.025 0.000 0.204 965 Q C 2.104 177.990 176.000 -0.190 0.000 0.986 965 Q CA 1.772 57.450 55.803 -0.208 0.000 0.843 965 Q CB -0.029 28.593 28.738 -0.194 0.000 0.904 965 Q HN 0.427 nan 8.270 nan 0.000 0.420 966 Q N -0.046 119.614 119.800 -0.233 0.000 2.084 966 Q HA -0.167 4.188 4.340 0.025 0.000 0.202 966 Q C 2.268 178.137 176.000 -0.218 0.000 0.978 966 Q CA 1.353 57.031 55.803 -0.208 0.000 0.844 966 Q CB -0.075 28.511 28.738 -0.253 0.000 0.898 966 Q HN 0.481 nan 8.270 nan 0.000 0.426 967 L N 0.495 121.584 121.223 -0.224 0.000 2.083 967 L HA -0.201 4.154 4.340 0.025 0.000 0.209 967 L C 2.686 179.420 176.870 -0.226 0.000 1.083 967 L CA 1.410 56.113 54.840 -0.228 0.000 0.752 967 L CB -0.471 41.488 42.059 -0.167 0.000 0.899 967 L HN 0.461 nan 8.230 nan 0.000 0.433 968 M N -1.673 117.824 119.600 -0.173 0.000 2.419 968 M HA -0.080 4.415 4.480 0.025 0.000 0.264 968 M C 1.329 177.554 176.300 -0.125 0.000 1.082 968 M CA 1.590 56.804 55.300 -0.143 0.000 1.119 968 M CB -0.348 32.179 32.600 -0.122 0.000 1.398 968 M HN 0.087 nan 8.290 nan 0.000 0.453 969 E N 1.041 121.166 120.200 -0.126 0.000 2.479 969 E HA 0.112 4.477 4.350 0.025 0.000 0.193 969 E C -0.474 176.075 176.600 -0.085 0.000 1.049 969 E CA 0.078 56.427 56.400 -0.085 0.000 0.870 969 E CB 0.522 30.180 29.700 -0.070 0.000 0.944 969 E HN 0.414 nan 8.360 nan 0.000 0.492 970 T N -0.091 114.376 114.554 -0.145 0.000 2.792 970 T HA 0.114 4.478 4.350 0.025 0.000 0.280 970 T C 0.906 175.505 174.700 -0.169 0.000 0.990 970 T CA -0.579 61.434 62.100 -0.144 0.000 0.960 970 T CB 1.706 70.453 68.868 -0.203 0.000 0.939 970 T HN 0.002 nan 8.240 nan 0.000 0.439 971 S N 1.526 117.229 115.700 0.006 0.000 2.524 971 S HA 0.124 4.609 4.470 0.025 0.000 0.216 971 S C 0.230 174.907 174.600 0.129 0.000 0.987 971 S CA 0.169 58.460 58.200 0.151 0.000 0.909 971 S CB -0.218 63.220 63.200 0.395 0.000 0.781 971 S HN 0.741 nan 8.310 nan 0.000 0.521 972 H N 0.631 119.714 119.070 0.021 0.000 2.771 972 H HA 0.486 5.057 4.556 0.025 0.000 0.361 972 H C 0.936 176.241 175.328 -0.040 0.000 1.108 972 H CA -0.809 55.305 56.048 0.110 0.000 1.201 972 H CB 1.541 31.351 29.762 0.080 0.000 1.681 972 H HN 0.114 nan 8.280 nan 0.000 0.534 973 R N 1.991 122.598 120.500 0.177 0.000 2.127 973 R HA -0.173 4.182 4.340 0.025 0.000 0.238 973 R C 1.194 177.504 176.300 0.017 0.000 1.134 973 R CA 1.872 58.008 56.100 0.059 0.000 0.975 973 R CB -0.445 29.932 30.300 0.128 0.000 0.865 973 R HN 0.772 nan 8.270 nan 0.000 0.447 974 H N 0.962 120.032 119.070 -0.001 0.000 2.545 974 H HA 0.016 4.587 4.556 0.025 0.000 0.282 974 H C 1.405 176.644 175.328 -0.148 0.000 1.020 974 H CA 0.797 56.801 56.048 -0.073 0.000 1.243 974 H CB -0.126 29.582 29.762 -0.091 0.000 1.377 974 H HN 0.321 nan 8.280 nan 0.000 0.581 975 L N 0.888 121.750 121.223 -0.602 0.000 2.607 975 L HA 0.239 4.594 4.340 0.025 0.000 0.228 975 L C 0.559 177.281 176.870 -0.246 0.000 1.123 975 L CA -0.183 54.363 54.840 -0.489 0.000 0.890 975 L CB 0.225 41.949 42.059 -0.559 0.000 1.103 975 L HN 0.046 nan 8.230 nan 0.000 0.468 976 L N 0.753 121.815 121.223 -0.269 0.000 2.439 976 L HA 0.159 4.514 4.340 0.025 0.000 0.269 976 L C 0.177 176.972 176.870 -0.126 0.000 1.179 976 L CA -0.108 54.525 54.840 -0.345 0.000 0.828 976 L CB 0.425 42.034 42.059 -0.751 0.000 1.106 976 L HN 0.200 nan 8.230 nan 0.000 0.467 977 H N 1.429 120.484 119.070 -0.026 0.000 2.679 977 H HA 0.571 5.142 4.556 0.025 0.000 0.360 977 H C -0.830 174.639 175.328 0.236 0.000 1.105 977 H CA -1.233 54.867 56.048 0.087 0.000 1.196 977 H CB 1.366 31.137 29.762 0.015 0.000 1.636 977 H HN 0.684 nan 8.280 nan 0.000 0.531 978 A N 3.797 126.771 122.820 0.258 0.000 2.548 978 A HA 0.072 4.407 4.320 0.025 0.000 0.247 978 A C 0.374 178.030 177.584 0.120 0.000 1.067 978 A CA -0.078 51.977 52.037 0.029 0.000 0.757 978 A CB -0.105 18.866 19.000 -0.048 0.000 0.996 978 A HN 0.846 nan 8.150 nan 0.000 0.504 979 E N 1.184 121.429 120.200 0.076 0.000 2.322 979 E HA 0.206 4.571 4.350 0.025 0.000 0.257 979 E C -0.049 176.596 176.600 0.074 0.000 1.155 979 E CA -0.675 55.829 56.400 0.173 0.000 0.936 979 E CB 0.694 30.573 29.700 0.298 0.000 1.130 979 E HN 0.797 nan 8.360 nan 0.000 0.465 980 E N -0.020 120.214 120.200 0.057 0.000 2.398 980 E HA 0.210 4.575 4.350 0.025 0.000 0.263 980 E C 0.338 176.883 176.600 -0.091 0.000 1.046 980 E CA 0.605 56.996 56.400 -0.014 0.000 0.908 980 E CB 0.495 30.182 29.700 -0.022 0.000 0.963 980 E HN 0.667 nan 8.360 nan 0.000 0.431 981 G N 2.518 111.267 108.800 -0.085 0.000 2.601 981 G HA2 -0.239 3.736 3.960 0.025 0.000 0.252 981 G HA3 -0.239 3.736 3.960 0.025 0.000 0.252 981 G C -0.588 174.232 174.900 -0.133 0.000 1.294 981 G CA -0.111 44.919 45.100 -0.116 0.000 0.912 981 G HN 0.604 nan 8.290 nan 0.000 0.574 982 T N 0.091 114.538 114.554 -0.179 0.000 2.881 982 T HA 0.501 4.865 4.350 0.025 0.000 0.290 982 T C -0.846 173.674 174.700 -0.300 0.000 1.000 982 T CA -0.181 61.819 62.100 -0.166 0.000 0.978 982 T CB 1.438 70.296 68.868 -0.016 0.000 0.997 982 T HN 0.568 nan 8.240 nan 0.000 0.443 983 W N 3.201 124.397 121.300 -0.174 0.000 2.322 983 W HA 0.602 5.277 4.660 0.025 0.000 0.307 983 W C -0.295 176.081 176.519 -0.237 0.000 1.220 983 W CA -0.658 56.582 57.345 -0.174 0.000 1.210 983 W CB 0.743 30.114 29.460 -0.148 0.000 1.223 983 W HN 0.365 nan 8.180 nan 0.000 0.511 984 L N 5.695 126.897 121.223 -0.035 0.000 2.333 984 L HA 0.513 4.867 4.340 0.025 0.000 0.280 984 L C -0.976 175.783 176.870 -0.186 0.000 1.004 984 L CA -0.497 54.204 54.840 -0.233 0.000 0.820 984 L CB 0.885 42.650 42.059 -0.490 0.000 1.247 984 L HN 0.314 nan 8.230 nan 0.000 0.416 985 N N 6.332 124.916 118.700 -0.194 0.000 2.407 985 N HA 0.447 5.202 4.740 0.025 0.000 0.277 985 N C -1.284 174.075 175.510 -0.251 0.000 0.995 985 N CA -0.217 52.719 53.050 -0.190 0.000 0.903 985 N CB 2.612 41.017 38.487 -0.136 0.000 1.218 985 N HN 0.673 nan 8.380 nan 0.000 0.487 986 I N 1.609 121.988 120.570 -0.320 0.000 2.410 986 I HA 0.272 4.457 4.170 0.025 0.000 0.286 986 I C -1.185 174.740 176.117 -0.321 0.000 1.009 986 I CA -0.611 60.464 61.300 -0.374 0.000 1.111 986 I CB 0.916 38.494 38.000 -0.703 0.000 1.262 986 I HN 0.219 nan 8.210 nan 0.000 0.443 987 D N 5.471 125.720 120.400 -0.252 0.000 2.233 987 D HA 0.296 4.951 4.640 0.025 0.000 0.240 987 D C 0.891 176.876 176.300 -0.526 0.000 1.074 987 D CA -0.197 53.594 54.000 -0.347 0.000 0.838 987 D CB 2.257 42.959 40.800 -0.163 0.000 1.124 987 D HN 0.744 nan 8.370 nan 0.000 0.475 988 G N 1.463 109.597 108.800 -1.110 0.000 2.408 988 G HA2 -0.047 3.928 3.960 0.025 0.000 0.217 988 G HA3 -0.047 3.928 3.960 0.025 0.000 0.217 988 G C 0.127 174.223 174.900 -1.340 0.000 1.150 988 G CA 0.617 44.911 45.100 -1.343 0.000 0.776 988 G HN 0.396 nan 8.290 nan 0.000 0.542 989 F N -2.394 117.363 119.950 -0.321 0.000 2.619 989 F HA 0.592 5.134 4.527 0.025 0.000 0.308 989 F C -0.538 175.170 175.800 -0.154 0.000 1.097 989 F CA -1.156 56.736 58.000 -0.179 0.000 0.953 989 F CB 2.101 40.916 39.000 -0.309 0.000 1.287 989 F HN 0.034 nan 8.300 nan 0.000 0.446 990 H N 1.674 120.754 119.070 0.017 0.000 2.894 990 H HA 0.546 5.117 4.556 0.025 0.000 0.367 990 H C -0.952 174.400 175.328 0.040 0.000 1.144 990 H CA -0.900 55.131 56.048 -0.028 0.000 1.180 990 H CB 1.938 31.669 29.762 -0.052 0.000 1.758 990 H HN 0.771 nan 8.280 nan 0.000 0.541 991 M N 3.218 122.782 119.600 -0.059 0.000 2.240 991 M HA 0.318 4.813 4.480 0.025 0.000 0.333 991 M C 0.394 176.818 176.300 0.207 0.000 1.110 991 M CA 0.173 55.505 55.300 0.054 0.000 1.173 991 M CB 0.422 32.956 32.600 -0.110 0.000 1.458 991 M HN 0.830 nan 8.290 nan 0.000 0.458 992 G N 2.809 111.701 108.800 0.153 0.000 2.664 992 G HA2 0.286 4.261 3.960 0.025 0.000 0.242 992 G HA3 0.286 4.261 3.960 0.025 0.000 0.242 992 G C 0.599 175.478 174.900 -0.035 0.000 1.225 992 G CA -0.434 44.679 45.100 0.022 0.000 0.849 992 G HN 0.975 nan 8.290 nan 0.000 0.581 993 I N -1.384 119.115 120.570 -0.118 0.000 3.645 993 I HA 0.394 4.579 4.170 0.025 0.000 0.300 993 I C 1.250 177.296 176.117 -0.117 0.000 1.260 993 I CA 0.430 61.624 61.300 -0.176 0.000 1.365 993 I CB -0.590 37.200 38.000 -0.350 0.000 1.077 993 I HN 0.913 nan 8.210 nan 0.000 0.439 994 G N 1.659 110.413 108.800 -0.076 0.000 2.645 994 G HA2 -0.001 3.974 3.960 0.025 0.000 0.246 994 G HA3 -0.001 3.974 3.960 0.025 0.000 0.246 994 G C 0.593 175.490 174.900 -0.005 0.000 1.322 994 G CA 0.227 45.322 45.100 -0.008 0.000 0.898 994 G HN 1.381 nan 8.290 nan 0.000 0.573 995 G N -2.487 106.324 108.800 0.019 0.000 2.559 995 G HA2 0.013 3.988 3.960 0.025 0.000 0.202 995 G HA3 0.013 3.988 3.960 0.025 0.000 0.202 995 G C 0.668 175.624 174.900 0.092 0.000 0.992 995 G CA 0.895 46.015 45.100 0.033 0.000 0.764 995 G HN 0.972 nan 8.290 nan 0.000 0.525 996 D N 1.275 121.753 120.400 0.130 0.000 2.172 996 D HA 0.059 4.714 4.640 0.025 0.000 0.196 996 D C 1.057 177.399 176.300 0.069 0.000 0.999 996 D CA 2.198 56.336 54.000 0.229 0.000 0.856 996 D CB 0.104 41.050 40.800 0.242 0.000 0.934 996 D HN 0.816 nan 8.370 nan 0.000 0.453 997 D N -3.463 116.774 120.400 -0.271 0.000 2.643 997 D HA 0.355 5.010 4.640 0.025 0.000 0.283 997 D C -0.887 174.916 176.300 -0.829 0.000 1.242 997 D CA -0.751 52.673 54.000 -0.960 0.000 0.863 997 D CB 0.922 40.580 40.800 -1.903 0.000 1.382 997 D HN -0.292 nan 8.370 nan 0.000 0.444 998 S N -0.542 114.503 115.700 -1.093 0.000 2.711 998 S HA 0.261 4.746 4.470 0.025 0.000 0.247 998 S C -0.713 173.895 174.600 0.013 0.000 1.079 998 S CA -0.679 57.354 58.200 -0.278 0.000 1.050 998 S CB -0.512 62.759 63.200 0.119 0.000 0.885 998 S HN 0.618 nan 8.310 nan 0.000 0.498 999 W N 0.669 121.928 121.300 -0.068 0.000 2.079 999 W HA 0.519 5.193 4.660 0.024 0.000 0.285 999 W C -0.045 176.435 176.519 -0.065 0.000 0.891 999 W CA -0.385 56.919 57.345 -0.069 0.000 1.308 999 W CB -0.529 28.817 29.460 -0.191 0.000 1.047 999 W HN 0.184 nan 8.180 nan 0.000 0.522 1000 S N -0.984 114.590 115.700 -0.211 0.000 2.570 1000 S HA 0.665 5.150 4.470 0.025 0.000 0.270 1000 S C -3.121 171.418 174.600 -0.101 0.000 1.149 1000 S CA -1.662 56.477 58.200 -0.102 0.000 0.837 1000 S CB 1.787 64.956 63.200 -0.053 0.000 1.124 1000 S HN -0.226 nan 8.310 nan 0.000 0.465 1001 P HA 0.188 nan 4.420 nan 0.000 0.263 1001 P C 0.335 177.681 177.300 0.076 0.000 1.195 1001 P CA 0.037 63.156 63.100 0.032 0.000 0.762 1001 P CB 0.672 32.262 31.700 -0.183 0.000 0.799 1002 S N 0.668 116.453 115.700 0.141 0.000 2.847 1002 S HA 0.145 4.630 4.470 0.025 0.000 0.254 1002 S C 0.159 174.845 174.600 0.143 0.000 1.039 1002 S CA -0.306 57.948 58.200 0.090 0.000 1.113 1002 S CB -0.248 62.953 63.200 0.002 0.000 1.092 1002 S HN 0.106 nan 8.310 nan 0.000 0.620 1003 V N 2.789 122.832 119.914 0.215 0.000 2.455 1003 V HA 0.391 4.526 4.120 0.025 0.000 0.273 1003 V C 0.790 177.036 176.094 0.253 0.000 1.045 1003 V CA -0.318 62.093 62.300 0.185 0.000 0.976 1003 V CB 1.057 32.929 31.823 0.081 0.000 0.993 1003 V HN 0.507 nan 8.190 nan 0.000 0.475 1004 S N 3.908 119.770 115.700 0.269 0.000 2.560 1004 S HA 0.251 4.736 4.470 0.025 0.000 0.284 1004 S C 1.560 176.305 174.600 0.242 0.000 1.327 1004 S CA 0.087 58.443 58.200 0.259 0.000 1.055 1004 S CB 1.045 64.433 63.200 0.313 0.000 0.868 1004 S HN 1.005 nan 8.310 nan 0.000 0.506 1005 A N 3.802 126.721 122.820 0.164 0.000 1.958 1005 A HA -0.176 4.159 4.320 0.025 0.000 0.221 1005 A C 2.034 179.657 177.584 0.065 0.000 1.178 1005 A CA 1.957 54.077 52.037 0.139 0.000 0.642 1005 A CB -0.659 18.398 19.000 0.095 0.000 0.816 1005 A HN 0.962 nan 8.150 nan 0.000 0.453 1006 E N -0.922 119.253 120.200 -0.042 0.000 2.409 1006 E HA -0.126 4.239 4.350 0.025 0.000 0.198 1006 E C 0.844 177.189 176.600 -0.425 0.000 1.024 1006 E CA 0.819 57.064 56.400 -0.259 0.000 0.861 1006 E CB -0.439 29.017 29.700 -0.407 0.000 0.788 1006 E HN 0.693 nan 8.360 nan 0.000 0.521 1007 F N 1.166 121.169 119.950 0.089 0.000 2.653 1007 F HA 0.265 4.806 4.527 0.024 0.000 0.304 1007 F C 0.848 176.688 175.800 0.067 0.000 1.092 1007 F CA -0.506 57.546 58.000 0.087 0.000 1.279 1007 F CB 0.542 39.593 39.000 0.084 0.000 1.044 1007 F HN -0.197 nan 8.300 nan 0.000 0.564 1008 Q N 1.338 121.256 119.800 0.197 0.000 2.235 1008 Q HA 0.376 4.731 4.340 0.025 0.000 0.250 1008 Q C -0.175 175.869 176.000 0.073 0.000 0.909 1008 Q CA -0.456 55.443 55.803 0.160 0.000 0.910 1008 Q CB 1.856 30.786 28.738 0.320 0.000 1.223 1008 Q HN 0.262 nan 8.270 nan 0.000 0.432 1009 L N 2.600 123.848 121.223 0.043 0.000 2.399 1009 L HA 0.098 4.452 4.340 0.025 0.000 0.257 1009 L C 0.645 177.469 176.870 -0.077 0.000 1.236 1009 L CA -0.025 54.817 54.840 0.004 0.000 1.144 1009 L CB -0.351 41.609 42.059 -0.164 0.000 1.379 1009 L HN 0.698 nan 8.230 nan 0.000 0.414 1010 S N -1.169 114.397 115.700 -0.223 0.000 2.554 1010 S HA 0.146 4.631 4.470 0.025 0.000 0.226 1010 S C 1.638 176.136 174.600 -0.170 0.000 0.980 1010 S CA 0.166 58.036 58.200 -0.549 0.000 0.939 1010 S CB 0.746 63.526 63.200 -0.699 0.000 0.832 1010 S HN 0.510 nan 8.310 nan 0.000 0.486 1011 A N 1.500 124.263 122.820 -0.095 0.000 2.125 1011 A HA 0.427 4.761 4.320 0.025 0.000 0.219 1011 A C 2.118 179.531 177.584 -0.285 0.000 1.156 1011 A CA 1.307 53.156 52.037 -0.314 0.000 0.671 1011 A CB -1.285 17.310 19.000 -0.675 0.000 0.794 1011 A HN 1.476 nan 8.150 nan 0.000 0.459 1012 G N -1.336 107.396 108.800 -0.114 0.000 2.900 1012 G HA2 -0.303 3.672 3.960 0.025 0.000 0.223 1012 G HA3 -0.303 3.672 3.960 0.025 0.000 0.223 1012 G C 0.480 175.348 174.900 -0.053 0.000 1.293 1012 G CA 0.461 45.545 45.100 -0.026 0.000 0.792 1012 G HN 0.691 nan 8.290 nan 0.000 0.527 1013 R N -0.435 119.914 120.500 -0.251 0.000 2.561 1013 R HA 0.691 5.046 4.340 0.025 0.000 0.297 1013 R C -1.553 174.478 176.300 -0.448 0.000 0.969 1013 R CA -0.569 55.430 56.100 -0.168 0.000 0.879 1013 R CB 1.516 31.759 30.300 -0.096 0.000 1.178 1013 R HN 0.279 nan 8.270 nan 0.000 0.445 1014 Y N 0.427 120.715 120.300 -0.020 0.000 2.477 1014 Y HA 0.326 4.891 4.550 0.025 0.000 0.347 1014 Y C -0.476 175.559 175.900 0.226 0.000 0.981 1014 Y CA -0.819 57.236 58.100 -0.076 0.000 1.033 1014 Y CB 2.190 40.487 38.460 -0.271 0.000 1.245 1014 Y HN 0.593 nan 8.280 nan 0.000 0.455 1015 H N 2.856 122.192 119.070 0.443 0.000 2.679 1015 H HA 0.635 5.206 4.556 0.025 0.000 0.360 1015 H C -1.734 173.987 175.328 0.656 0.000 1.105 1015 H CA -0.899 55.400 56.048 0.419 0.000 1.196 1015 H CB 1.286 31.190 29.762 0.236 0.000 1.636 1015 H HN 0.575 nan 8.280 nan 0.000 0.531 1016 Y N 1.399 121.536 120.300 -0.272 0.000 2.609 1016 Y HA 0.459 5.024 4.550 0.025 0.000 0.336 1016 Y C -2.006 173.709 175.900 -0.309 0.000 1.129 1016 Y CA -1.137 56.866 58.100 -0.162 0.000 1.040 1016 Y CB 1.383 39.826 38.460 -0.028 0.000 1.310 1016 Y HN 0.759 nan 8.280 nan 0.000 0.460 1017 Q N 2.814 122.621 119.800 0.011 0.000 2.340 1017 Q HA 0.809 5.164 4.340 0.025 0.000 0.276 1017 Q C -2.164 173.928 176.000 0.154 0.000 1.048 1017 Q CA -1.065 54.726 55.803 -0.021 0.000 0.832 1017 Q CB 3.278 32.033 28.738 0.029 0.000 1.373 1017 Q HN 0.838 nan 8.270 nan 0.000 0.409 1018 L N 0.990 122.291 121.223 0.130 0.000 2.393 1018 L HA 0.744 5.099 4.340 0.025 0.000 0.260 1018 L C -0.966 176.025 176.870 0.202 0.000 1.002 1018 L CA -1.355 53.605 54.840 0.200 0.000 0.818 1018 L CB 2.622 44.779 42.059 0.163 0.000 1.369 1018 L HN 0.468 nan 8.230 nan 0.000 0.412 1019 V N 0.793 120.852 119.914 0.243 0.000 2.409 1019 V HA 0.387 4.522 4.120 0.025 0.000 0.291 1019 V C -1.203 175.072 176.094 0.302 0.000 1.020 1019 V CA -0.382 62.064 62.300 0.243 0.000 0.848 1019 V CB 1.985 33.924 31.823 0.192 0.000 0.990 1019 V HN 0.600 nan 8.190 nan 0.000 0.430 1020 W N 7.204 128.569 121.300 0.109 0.000 2.417 1020 W HA 0.709 5.384 4.660 0.025 0.000 0.315 1020 W C -0.272 176.249 176.519 0.003 0.000 1.045 1020 W CA -1.177 56.148 57.345 -0.034 0.000 1.221 1020 W CB 1.407 30.916 29.460 0.082 0.000 1.309 1020 W HN 0.848 nan 8.180 nan 0.000 0.453 1021 C N 4.224 123.767 119.300 0.405 0.000 3.285 1021 C HA 0.744 5.219 4.460 0.025 0.000 0.320 1021 C C -0.441 174.668 174.990 0.199 0.000 1.411 1021 C CA -0.859 58.323 59.018 0.273 0.000 1.429 1021 C CB 1.474 29.318 27.740 0.174 0.000 1.812 1021 C HN 0.742 nan 8.230 nan 0.000 0.454 1022 Q N 1.713 121.585 119.800 0.120 0.000 2.222 1022 Q HA 0.647 5.002 4.340 0.025 0.000 0.252 1022 Q C -0.686 175.315 176.000 0.001 0.000 0.926 1022 Q CA -0.239 55.580 55.803 0.026 0.000 0.899 1022 Q CB 1.232 29.952 28.738 -0.030 0.000 1.250 1022 Q HN 0.814 nan 8.270 nan 0.000 0.441 1023 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 1023 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543