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 1jz7_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMXGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.067 176.300 -0.389 0.000 0.893 13 R CA 0.000 55.953 56.100 -0.246 0.000 0.921 13 R CB 0.000 30.166 30.300 -0.224 0.000 0.687 14 R N 1.778 121.940 120.500 -0.562 0.000 1.946 14 R HA -0.202 4.155 4.340 0.027 0.000 0.197 14 R C 0.057 175.767 176.300 -0.982 0.000 0.624 14 R CA 0.673 56.005 56.100 -1.279 0.000 0.407 14 R CB -0.796 28.931 30.300 -0.955 0.000 1.447 14 R HN 0.240 nan 8.270 nan 0.000 0.555 15 D N 0.063 120.069 120.400 -0.657 0.000 2.263 15 D HA -0.180 4.476 4.640 0.027 0.000 0.208 15 D C 1.556 177.714 176.300 -0.236 0.000 0.971 15 D CA 1.399 55.116 54.000 -0.471 0.000 0.867 15 D CB -0.085 40.259 40.800 -0.761 0.000 0.929 15 D HN 0.733 nan 8.370 nan 0.000 0.492 16 W N 1.271 122.569 121.300 -0.002 0.000 3.204 16 W HA 0.194 4.870 4.660 0.027 0.000 0.249 16 W C 0.394 177.006 176.519 0.155 0.000 1.322 16 W CA -0.254 57.205 57.345 0.190 0.000 1.593 16 W CB -0.254 29.367 29.460 0.270 0.000 1.122 16 W HN -0.197 nan 8.180 nan 0.000 0.710 17 E N 1.329 121.376 120.200 -0.256 0.000 3.385 17 E HA 0.069 4.435 4.350 0.027 0.000 0.206 17 E C -0.771 175.683 176.600 -0.243 0.000 0.997 17 E CA -0.223 56.080 56.400 -0.162 0.000 1.278 17 E CB -0.204 29.408 29.700 -0.146 0.000 1.165 17 E HN 0.031 nan 8.360 nan 0.000 0.452 18 N N 1.034 119.614 118.700 -0.199 0.000 2.655 18 N HA 0.121 4.877 4.740 0.027 0.000 0.277 18 N C -2.492 172.866 175.510 -0.254 0.000 1.177 18 N CA -1.714 51.182 53.050 -0.257 0.000 0.882 18 N CB 1.546 39.894 38.487 -0.231 0.000 1.481 18 N HN -0.167 nan 8.380 nan 0.000 0.547 19 P HA 0.124 nan 4.420 nan 0.000 0.237 19 P C 1.088 178.142 177.300 -0.410 0.000 1.178 19 P CA 0.483 63.248 63.100 -0.558 0.000 0.766 19 P CB 0.143 31.016 31.700 -1.378 0.000 0.876 20 G N -0.363 108.239 108.800 -0.329 0.000 2.650 20 G HA2 0.045 4.021 3.960 0.027 0.000 0.214 20 G HA3 0.045 4.021 3.960 0.027 0.000 0.214 20 G C 0.275 175.090 174.900 -0.142 0.000 1.136 20 G CA 0.211 45.173 45.100 -0.230 0.000 0.789 20 G HN 0.208 nan 8.290 nan 0.000 0.536 21 V N 1.620 121.465 119.914 -0.116 0.000 2.325 21 V HA 0.290 4.426 4.120 0.027 0.000 0.280 21 V C 0.790 176.932 176.094 0.080 0.000 1.016 21 V CA 0.095 62.377 62.300 -0.030 0.000 0.818 21 V CB 1.192 32.975 31.823 -0.067 0.000 1.019 21 V HN 0.318 nan 8.190 nan 0.000 0.434 22 T N 0.556 115.154 114.554 0.074 0.000 3.054 22 T HA 0.371 4.738 4.350 0.027 0.000 0.255 22 T C 0.238 174.991 174.700 0.088 0.000 1.035 22 T CA 0.027 62.180 62.100 0.089 0.000 0.941 22 T CB 0.298 69.170 68.868 0.007 0.000 1.026 22 T HN 0.681 nan 8.240 nan 0.000 0.533 23 Q N 0.249 120.145 119.800 0.160 0.000 2.721 23 Q HA 0.683 5.040 4.340 0.027 0.000 0.282 23 Q C -2.240 173.899 176.000 0.231 0.000 0.932 23 Q CA -1.030 54.862 55.803 0.147 0.000 0.816 23 Q CB 0.882 29.622 28.738 0.004 0.000 1.506 23 Q HN 0.222 nan 8.270 nan 0.000 0.399 24 L N 1.703 123.092 121.223 0.277 0.000 2.436 24 L HA 0.620 4.977 4.340 0.027 0.000 0.268 24 L C -0.582 176.418 176.870 0.216 0.000 0.974 24 L CA -0.901 54.101 54.840 0.269 0.000 0.826 24 L CB 1.970 44.305 42.059 0.460 0.000 1.291 24 L HN 0.849 nan 8.230 nan 0.000 0.406 25 N N 0.804 119.599 118.700 0.157 0.000 2.782 25 N HA -0.203 4.554 4.740 0.027 0.000 0.251 25 N C 0.106 175.706 175.510 0.149 0.000 1.101 25 N CA 0.816 53.948 53.050 0.135 0.000 0.764 25 N CB -0.813 37.703 38.487 0.047 0.000 1.122 25 N HN 0.649 nan 8.380 nan 0.000 0.561 26 R N 0.772 121.281 120.500 0.014 0.000 2.441 26 R HA 0.442 4.798 4.340 0.027 0.000 0.284 26 R C 0.460 176.628 176.300 -0.220 0.000 1.070 26 R CA -0.386 55.509 56.100 -0.341 0.000 1.047 26 R CB 0.583 30.674 30.300 -0.349 0.000 1.016 26 R HN 0.118 nan 8.270 nan 0.000 0.477 27 L N 2.893 123.952 121.223 -0.273 0.000 2.439 27 L HA 0.344 4.700 4.340 0.027 0.000 0.261 27 L C 0.629 177.447 176.870 -0.086 0.000 1.153 27 L CA -0.640 54.134 54.840 -0.110 0.000 0.808 27 L CB 0.976 43.000 42.059 -0.059 0.000 1.126 27 L HN 0.775 nan 8.230 nan 0.000 0.460 28 A N 1.435 124.245 122.820 -0.016 0.000 2.507 28 A HA 0.457 4.794 4.320 0.027 0.000 0.235 28 A C 0.325 177.911 177.584 0.003 0.000 1.070 28 A CA 0.133 52.167 52.037 -0.004 0.000 0.768 28 A CB 0.102 19.127 19.000 0.041 0.000 1.011 28 A HN 0.804 nan 8.150 nan 0.000 0.502 29 A N 1.147 123.923 122.820 -0.072 0.000 2.287 29 A HA 0.734 5.070 4.320 0.027 0.000 0.273 29 A C 0.054 177.547 177.584 -0.151 0.000 1.091 29 A CA 0.442 52.358 52.037 -0.202 0.000 0.817 29 A CB 0.061 18.944 19.000 -0.195 0.000 1.069 29 A HN 2.067 nan 8.150 nan 0.000 0.492 30 H N -2.966 115.959 119.070 -0.241 0.000 2.921 30 H HA 0.572 5.144 4.556 0.027 0.000 0.287 30 H C -3.459 171.592 175.328 -0.461 0.000 1.434 30 H CA -1.585 54.260 56.048 -0.337 0.000 1.178 30 H CB -0.017 29.437 29.762 -0.514 0.000 1.836 30 H HN 0.391 nan 8.280 nan 0.000 0.495 31 P HA 0.238 nan 4.420 nan 0.000 0.274 31 P C -2.603 174.565 177.300 -0.219 0.000 1.256 31 P CA -1.477 61.446 63.100 -0.296 0.000 0.795 31 P CB -0.172 31.279 31.700 -0.416 0.000 1.038 32 P HA 0.047 nan 4.420 nan 0.000 0.261 32 P C -0.807 176.696 177.300 0.339 0.000 1.183 32 P CA 1.130 64.281 63.100 0.084 0.000 0.761 32 P CB -0.141 31.641 31.700 0.138 0.000 0.785 33 F N 1.404 121.466 119.950 0.186 0.000 2.579 33 F HA 0.616 5.159 4.527 0.027 0.000 0.324 33 F C 0.949 176.685 175.800 -0.107 0.000 1.058 33 F CA -1.030 57.018 58.000 0.079 0.000 0.944 33 F CB 2.232 41.235 39.000 0.004 0.000 1.245 33 F HN 0.209 nan 8.300 nan 0.000 0.477 34 A N 0.319 123.080 122.820 -0.099 0.000 2.664 34 A HA 0.234 4.571 4.320 0.027 0.000 0.222 34 A C 0.510 177.811 177.584 -0.471 0.000 1.320 34 A CA 0.375 52.121 52.037 -0.485 0.000 1.029 34 A CB -0.114 18.123 19.000 -1.272 0.000 1.318 34 A HN 0.724 nan 8.150 nan 0.000 0.589 35 S N 0.613 116.144 115.700 -0.281 0.000 3.405 35 S HA -0.150 4.337 4.470 0.027 0.000 0.373 35 S C -0.027 174.508 174.600 -0.108 0.000 0.939 35 S CA 0.425 58.517 58.200 -0.180 0.000 1.295 35 S CB -1.468 61.627 63.200 -0.174 0.000 0.919 35 S HN 0.461 nan 8.310 nan 0.000 0.535 36 W N 2.213 123.489 121.300 -0.039 0.000 2.170 36 W HA 0.248 4.924 4.660 0.027 0.000 0.336 36 W C 1.337 177.832 176.519 -0.040 0.000 1.283 36 W CA -0.590 56.738 57.345 -0.028 0.000 1.224 36 W CB 0.318 29.761 29.460 -0.028 0.000 1.132 36 W HN 0.357 nan 8.180 nan 0.000 0.571 37 R N 1.994 122.622 120.500 0.213 0.000 2.546 37 R HA 0.085 4.442 4.340 0.027 0.000 0.320 37 R C -0.060 176.293 176.300 0.088 0.000 1.021 37 R CA -0.104 56.060 56.100 0.106 0.000 1.088 37 R CB -0.172 30.158 30.300 0.050 0.000 1.278 37 R HN 0.365 nan 8.270 nan 0.000 0.557 38 N N 0.067 118.832 118.700 0.109 0.000 2.454 38 N HA 0.112 4.868 4.740 0.027 0.000 0.291 38 N C -0.188 175.288 175.510 -0.057 0.000 1.079 38 N CA -0.021 53.044 53.050 0.024 0.000 0.893 38 N CB 1.864 40.370 38.487 0.032 0.000 1.512 38 N HN -0.253 nan 8.380 nan 0.000 0.497 39 S N 2.351 117.996 115.700 -0.092 0.000 2.402 39 S HA -0.148 4.338 4.470 0.027 0.000 0.229 39 S C 1.424 175.849 174.600 -0.292 0.000 1.021 39 S CA 1.020 59.120 58.200 -0.167 0.000 0.974 39 S CB 0.003 63.137 63.200 -0.109 0.000 0.800 39 S HN 0.779 nan 8.310 nan 0.000 0.484 40 E N 1.889 121.939 120.200 -0.251 0.000 2.106 40 E HA -0.158 4.209 4.350 0.027 0.000 0.192 40 E C 1.739 178.108 176.600 -0.384 0.000 0.984 40 E CA 1.361 57.571 56.400 -0.317 0.000 0.806 40 E CB -0.231 29.340 29.700 -0.217 0.000 0.750 40 E HN 0.570 nan 8.360 nan 0.000 0.458 41 E N -0.039 119.946 120.200 -0.359 0.000 2.085 41 E HA -0.208 4.159 4.350 0.027 0.000 0.194 41 E C 2.058 178.040 176.600 -1.030 0.000 0.994 41 E CA 1.148 57.281 56.400 -0.444 0.000 0.801 41 E CB -0.260 29.336 29.700 -0.172 0.000 0.743 41 E HN 0.426 nan 8.360 nan 0.000 0.453 42 A N 1.401 123.383 122.820 -1.396 0.000 1.933 42 A HA -0.202 4.135 4.320 0.027 0.000 0.218 42 A C 2.086 179.070 177.584 -1.000 0.000 1.175 42 A CA 1.440 52.325 52.037 -1.920 0.000 0.628 42 A CB -0.443 17.964 19.000 -0.987 0.000 0.814 42 A HN 0.088 nan 8.150 nan 0.000 0.444 43 R N -0.122 119.969 120.500 -0.681 0.000 2.081 43 R HA -0.128 4.229 4.340 0.027 0.000 0.235 43 R C 1.671 177.706 176.300 -0.441 0.000 1.131 43 R CA 2.008 57.762 56.100 -0.577 0.000 0.960 43 R CB -0.369 29.461 30.300 -0.784 0.000 0.856 43 R HN 0.601 nan 8.270 nan 0.000 0.436 44 T N -2.698 111.613 114.554 -0.406 0.000 3.163 44 T HA 0.100 4.466 4.350 0.027 0.000 0.252 44 T C 0.078 174.687 174.700 -0.152 0.000 1.056 44 T CA 0.282 62.237 62.100 -0.242 0.000 0.947 44 T CB 0.209 68.962 68.868 -0.192 0.000 1.016 44 T HN 0.305 nan 8.240 nan 0.000 0.554 45 D N 1.008 121.284 120.400 -0.207 0.000 2.800 45 D HA -0.157 4.499 4.640 0.027 0.000 0.232 45 D C 0.043 176.470 176.300 0.211 0.000 1.137 45 D CA 0.460 54.500 54.000 0.068 0.000 0.718 45 D CB -1.144 39.735 40.800 0.131 0.000 1.084 45 D HN 0.600 nan 8.370 nan 0.000 0.432 46 R N 0.057 120.650 120.500 0.154 0.000 2.577 46 R HA 0.521 4.877 4.340 0.027 0.000 0.269 46 R C -2.088 174.464 176.300 0.420 0.000 1.084 46 R CA -1.357 54.873 56.100 0.216 0.000 1.163 46 R CB 0.282 30.651 30.300 0.115 0.000 1.100 46 R HN 0.045 nan 8.270 nan 0.000 0.547 47 P HA -0.045 nan 4.420 nan 0.000 0.267 47 P C -0.907 176.541 177.300 0.246 0.000 1.200 47 P CA 0.311 63.544 63.100 0.222 0.000 0.772 47 P CB 0.822 32.606 31.700 0.141 0.000 0.855 48 S N 1.639 117.374 115.700 0.059 0.000 2.454 48 S HA 0.117 4.604 4.470 0.027 0.000 0.306 48 S C 1.006 175.613 174.600 0.012 0.000 1.100 48 S CA -0.557 57.605 58.200 -0.064 0.000 1.087 48 S CB 0.464 63.315 63.200 -0.582 0.000 1.019 48 S HN 0.280 nan 8.310 nan 0.000 0.480 49 Q N 2.686 122.532 119.800 0.076 0.000 2.364 49 Q HA -0.111 4.245 4.340 0.027 0.000 0.209 49 Q C 0.846 176.964 176.000 0.198 0.000 0.977 49 Q CA 1.222 57.106 55.803 0.135 0.000 0.885 49 Q CB -0.037 28.782 28.738 0.134 0.000 0.941 49 Q HN 0.711 nan 8.270 nan 0.000 0.464 50 Q N -0.172 119.651 119.800 0.038 0.000 2.444 50 Q HA 0.081 4.437 4.340 0.027 0.000 0.206 50 Q C -0.138 175.885 176.000 0.039 0.000 0.948 50 Q CA 0.252 56.005 55.803 -0.083 0.000 0.946 50 Q CB 0.351 28.962 28.738 -0.212 0.000 1.027 50 Q HN 0.053 nan 8.270 nan 0.000 0.513 51 L N 0.704 121.981 121.223 0.090 0.000 2.388 51 L HA 0.421 4.777 4.340 0.027 0.000 0.267 51 L C -1.227 175.730 176.870 0.145 0.000 0.995 51 L CA -0.359 54.539 54.840 0.096 0.000 0.864 51 L CB 0.967 42.994 42.059 -0.054 0.000 1.216 51 L HN -0.133 nan 8.230 nan 0.000 0.430 52 R N 2.428 123.057 120.500 0.215 0.000 2.532 52 R HA 0.585 4.941 4.340 0.027 0.000 0.295 52 R C -0.456 175.868 176.300 0.039 0.000 0.968 52 R CA -0.663 55.504 56.100 0.111 0.000 0.916 52 R CB 1.990 32.319 30.300 0.048 0.000 1.124 52 R HN 0.653 nan 8.270 nan 0.000 0.463 53 S N 2.216 117.928 115.700 0.020 0.000 2.554 53 S HA 0.271 4.757 4.470 0.027 0.000 0.278 53 S C 0.657 175.250 174.600 -0.012 0.000 1.242 53 S CA -0.644 57.558 58.200 0.003 0.000 1.051 53 S CB 0.579 63.792 63.200 0.022 0.000 0.986 53 S HN 0.567 nan 8.310 nan 0.000 0.502 54 L N 3.429 124.642 121.223 -0.018 0.000 2.769 54 L HA 0.301 4.657 4.340 0.027 0.000 0.240 54 L C 0.208 177.216 176.870 0.229 0.000 1.163 54 L CA -0.371 54.476 54.840 0.012 0.000 0.962 54 L CB -0.324 41.676 42.059 -0.098 0.000 1.258 54 L HN 0.513 nan 8.230 nan 0.000 0.513 55 N N 1.069 119.854 118.700 0.142 0.000 2.415 55 N HA 0.480 5.236 4.740 0.027 0.000 0.248 55 N C 0.681 176.325 175.510 0.223 0.000 1.271 55 N CA 1.064 54.212 53.050 0.164 0.000 0.913 55 N CB 1.169 39.686 38.487 0.050 0.000 1.129 55 N HN 0.280 nan 8.380 nan 0.000 0.444 56 G N 0.293 109.245 108.800 0.253 0.000 2.240 56 G HA2 -0.100 3.877 3.960 0.027 0.000 0.199 56 G HA3 -0.100 3.877 3.960 0.027 0.000 0.199 56 G C -1.502 173.611 174.900 0.356 0.000 1.342 56 G CA -0.776 44.459 45.100 0.225 0.000 1.145 56 G HN 0.484 nan 8.290 nan 0.000 0.477 57 E N 0.198 120.571 120.200 0.289 0.000 2.194 57 E HA 0.465 4.832 4.350 0.027 0.000 0.284 57 E C -0.964 175.880 176.600 0.405 0.000 1.035 57 E CA -0.137 56.448 56.400 0.309 0.000 0.836 57 E CB 0.981 30.784 29.700 0.171 0.000 1.070 57 E HN 0.355 nan 8.360 nan 0.000 0.401 58 W N 1.638 123.031 121.300 0.154 0.000 2.894 58 W HA 0.407 5.084 4.660 0.028 0.000 0.345 58 W C 0.152 176.805 176.519 0.222 0.000 1.152 58 W CA -0.759 56.709 57.345 0.204 0.000 1.089 58 W CB 0.797 30.434 29.460 0.295 0.000 1.454 58 W HN 0.174 nan 8.180 nan 0.000 0.589 59 R N 1.494 122.286 120.500 0.486 0.000 2.407 59 R HA 0.577 4.934 4.340 0.027 0.000 0.303 59 R C -1.463 175.096 176.300 0.431 0.000 0.981 59 R CA -0.867 55.452 56.100 0.365 0.000 0.905 59 R CB 1.154 31.610 30.300 0.261 0.000 1.099 59 R HN 0.484 nan 8.270 nan 0.000 0.459 60 F N 0.514 120.508 119.950 0.074 0.000 2.591 60 F HA 0.646 5.189 4.527 0.027 0.000 0.309 60 F C -1.555 174.073 175.800 -0.286 0.000 1.098 60 F CA -0.595 57.295 58.000 -0.183 0.000 0.937 60 F CB 1.986 40.780 39.000 -0.342 0.000 1.250 60 F HN 0.618 nan 8.300 nan 0.000 0.447 61 A N 4.358 126.399 122.820 -1.299 0.000 2.486 61 A HA 0.592 4.928 4.320 0.027 0.000 0.300 61 A C -2.416 174.183 177.584 -1.642 0.000 1.048 61 A CA -0.565 50.788 52.037 -1.142 0.000 0.696 61 A CB 0.815 19.423 19.000 -0.653 0.000 1.278 61 A HN 0.968 nan 8.150 nan 0.000 0.405 62 W N 2.230 122.621 121.300 -1.515 0.000 2.496 62 W HA 0.752 5.428 4.660 0.027 0.000 0.327 62 W C -1.751 174.113 176.519 -1.092 0.000 1.086 62 W CA -0.332 56.288 57.345 -1.209 0.000 1.222 62 W CB 1.055 30.077 29.460 -0.731 0.000 1.304 62 W HN 0.507 nan 8.180 nan 0.000 0.547 63 F N 5.487 124.771 119.950 -1.110 0.000 2.603 63 F HA 0.384 4.927 4.527 0.027 0.000 0.317 63 F C -1.331 173.574 175.800 -1.491 0.000 1.066 63 F CA -2.066 55.410 58.000 -0.874 0.000 0.941 63 F CB 2.063 40.683 39.000 -0.633 0.000 1.291 63 F HN 0.200 nan 8.300 nan 0.000 0.472 64 P HA 0.179 nan 4.420 nan 0.000 0.240 64 P C -0.488 176.670 177.300 -0.237 0.000 1.190 64 P CA 0.682 63.498 63.100 -0.474 0.000 0.781 64 P CB 0.874 32.611 31.700 0.061 0.000 0.931 65 A N -0.073 122.621 122.820 -0.209 0.000 2.605 65 A HA 0.519 4.855 4.320 0.027 0.000 0.294 65 A C -2.441 175.025 177.584 -0.196 0.000 1.062 65 A CA -1.009 50.948 52.037 -0.133 0.000 0.682 65 A CB 0.517 19.505 19.000 -0.021 0.000 1.278 65 A HN -0.297 nan 8.150 nan 0.000 0.410 66 P HA -0.123 nan 4.420 nan 0.000 0.220 66 P C 0.747 177.938 177.300 -0.181 0.000 1.148 66 P CA 1.464 64.415 63.100 -0.249 0.000 0.803 66 P CB 0.269 31.774 31.700 -0.324 0.000 0.782 67 E N 0.254 120.404 120.200 -0.083 0.000 2.204 67 E HA -0.083 4.284 4.350 0.027 0.000 0.195 67 E C 2.046 178.567 176.600 -0.132 0.000 0.990 67 E CA 1.369 57.734 56.400 -0.057 0.000 0.821 67 E CB -0.902 28.799 29.700 0.002 0.000 0.750 67 E HN 0.252 nan 8.360 nan 0.000 0.477 68 A N 0.274 122.981 122.820 -0.188 0.000 2.251 68 A HA 0.109 4.445 4.320 0.027 0.000 0.209 68 A C 0.629 177.890 177.584 -0.539 0.000 1.187 68 A CA -0.144 51.764 52.037 -0.215 0.000 0.823 68 A CB 0.268 19.232 19.000 -0.060 0.000 0.846 68 A HN 0.028 nan 8.150 nan 0.000 0.486 69 V N 2.986 122.465 119.914 -0.726 0.000 2.508 69 V HA 0.206 4.343 4.120 0.027 0.000 0.281 69 V C -2.159 173.577 176.094 -0.597 0.000 1.041 69 V CA -1.404 60.225 62.300 -1.119 0.000 1.016 69 V CB 0.705 31.972 31.823 -0.926 0.000 0.984 69 V HN 0.321 nan 8.190 nan 0.000 0.478 70 P HA 0.286 nan 4.420 nan 0.000 0.280 70 P C 0.222 177.453 177.300 -0.115 0.000 1.244 70 P CA -0.428 62.544 63.100 -0.214 0.000 0.784 70 P CB 1.273 32.903 31.700 -0.116 0.000 0.913 71 E N 1.120 121.268 120.200 -0.085 0.000 2.267 71 E HA -0.155 4.212 4.350 0.027 0.000 0.197 71 E C 1.825 178.398 176.600 -0.046 0.000 0.998 71 E CA 1.514 57.873 56.400 -0.069 0.000 0.830 71 E CB -0.647 29.015 29.700 -0.062 0.000 0.751 71 E HN 0.544 nan 8.360 nan 0.000 0.491 72 S N -0.756 114.936 115.700 -0.013 0.000 2.419 72 S HA -0.195 4.291 4.470 0.027 0.000 0.233 72 S C 1.873 176.487 174.600 0.023 0.000 1.016 72 S CA 0.766 58.965 58.200 -0.000 0.000 0.974 72 S CB -0.800 62.410 63.200 0.018 0.000 0.786 72 S HN 0.558 nan 8.310 nan 0.000 0.492 73 W N 2.559 123.760 121.300 -0.165 0.000 2.392 73 W HA 0.069 4.745 4.660 0.027 0.000 0.279 73 W C 1.532 177.929 176.519 -0.202 0.000 1.225 73 W CA 0.748 57.996 57.345 -0.162 0.000 1.233 73 W CB -0.306 29.033 29.460 -0.201 0.000 1.122 73 W HN 0.246 nan 8.180 nan 0.000 0.561 74 L N 0.262 121.269 121.223 -0.361 0.000 2.131 74 L HA -0.182 4.175 4.340 0.027 0.000 0.210 74 L C 2.146 178.764 176.870 -0.421 0.000 1.092 74 L CA 1.797 56.252 54.840 -0.642 0.000 0.759 74 L CB -0.710 41.016 42.059 -0.554 0.000 0.903 74 L HN 0.009 nan 8.230 nan 0.000 0.435 75 E N -1.945 118.103 120.200 -0.254 0.000 2.290 75 E HA 0.087 4.453 4.350 0.027 0.000 0.197 75 E C -0.053 176.468 176.600 -0.132 0.000 0.948 75 E CA 0.130 56.436 56.400 -0.157 0.000 0.895 75 E CB 0.688 30.334 29.700 -0.091 0.000 0.865 75 E HN 0.339 nan 8.360 nan 0.000 0.486 76 C N 0.408 119.639 119.300 -0.115 0.000 2.898 76 C HA 0.353 4.830 4.460 0.027 0.000 0.304 76 C C -0.606 174.370 174.990 -0.024 0.000 1.237 76 C CA -1.572 57.410 59.018 -0.061 0.000 1.529 76 C CB 1.318 29.047 27.740 -0.018 0.000 2.021 76 C HN 0.304 nan 8.230 nan 0.000 0.474 77 D N 0.927 121.330 120.400 0.004 0.000 2.525 77 D HA 0.180 4.836 4.640 0.027 0.000 0.235 77 D C -0.530 175.842 176.300 0.121 0.000 1.137 77 D CA 0.462 54.505 54.000 0.073 0.000 0.868 77 D CB 0.530 41.364 40.800 0.056 0.000 1.180 77 D HN 0.370 nan 8.370 nan 0.000 0.465 78 L N 5.835 127.175 121.223 0.196 0.000 2.319 78 L HA 0.244 4.600 4.340 0.027 0.000 0.280 78 L C -1.262 175.668 176.870 0.099 0.000 1.099 78 L CA -1.541 53.394 54.840 0.159 0.000 0.828 78 L CB 1.285 43.452 42.059 0.179 0.000 1.150 78 L HN 0.504 nan 8.230 nan 0.000 0.442 79 P HA -0.135 nan 4.420 nan 0.000 0.220 79 P C 0.600 177.927 177.300 0.044 0.000 1.148 79 P CA 0.981 64.112 63.100 0.052 0.000 0.803 79 P CB 0.256 31.979 31.700 0.040 0.000 0.782 80 E N -0.393 119.828 120.200 0.036 0.000 2.481 80 E HA 0.177 4.544 4.350 0.027 0.000 0.195 80 E C 1.018 177.624 176.600 0.010 0.000 1.047 80 E CA 0.011 56.420 56.400 0.015 0.000 0.867 80 E CB -0.748 28.947 29.700 -0.009 0.000 0.858 80 E HN 0.177 nan 8.360 nan 0.000 0.513 81 A N 1.233 124.069 122.820 0.027 0.000 2.429 81 A HA 0.125 4.462 4.320 0.027 0.000 0.242 81 A C 0.038 177.669 177.584 0.079 0.000 1.088 81 A CA -0.118 51.934 52.037 0.026 0.000 0.784 81 A CB 0.280 19.322 19.000 0.071 0.000 1.038 81 A HN -0.021 nan 8.150 nan 0.000 0.501 82 D N -0.465 120.014 120.400 0.132 0.000 2.326 82 D HA 0.487 5.144 4.640 0.027 0.000 0.248 82 D C -0.630 175.786 176.300 0.193 0.000 1.001 82 D CA -0.008 54.094 54.000 0.170 0.000 0.961 82 D CB 1.326 42.277 40.800 0.252 0.000 1.183 82 D HN 0.385 nan 8.370 nan 0.000 0.502 83 T N 0.648 115.297 114.554 0.159 0.000 2.733 83 T HA 0.477 4.844 4.350 0.027 0.000 0.294 83 T C 0.162 174.955 174.700 0.154 0.000 0.956 83 T CA -0.513 61.687 62.100 0.166 0.000 0.987 83 T CB 0.423 69.361 68.868 0.118 0.000 0.920 83 T HN 0.262 nan 8.240 nan 0.000 0.470 84 V N 1.492 121.533 119.914 0.210 0.000 3.102 84 V HA 0.810 4.946 4.120 0.027 0.000 0.312 84 V C -0.333 175.887 176.094 0.211 0.000 1.135 84 V CA -1.028 61.359 62.300 0.144 0.000 1.022 84 V CB 1.740 33.671 31.823 0.180 0.000 1.056 84 V HN 0.473 nan 8.190 nan 0.000 0.436 85 V N 1.813 121.825 119.914 0.163 0.000 2.607 85 V HA 0.566 4.703 4.120 0.027 0.000 0.289 85 V C -0.053 176.131 176.094 0.150 0.000 1.053 85 V CA -0.132 62.266 62.300 0.164 0.000 0.996 85 V CB 1.516 33.399 31.823 0.101 0.000 0.995 85 V HN 0.764 nan 8.190 nan 0.000 0.476 86 V N 6.892 126.811 119.914 0.008 0.000 2.656 86 V HA 0.470 4.606 4.120 0.027 0.000 0.307 86 V C -2.318 173.667 176.094 -0.181 0.000 1.051 86 V CA -1.730 60.427 62.300 -0.238 0.000 0.893 86 V CB 2.513 33.811 31.823 -0.876 0.000 0.999 86 V HN 0.760 nan 8.190 nan 0.000 0.426 87 P HA 0.457 nan 4.420 nan 0.000 0.277 87 P C -0.854 176.382 177.300 -0.108 0.000 1.240 87 P CA -0.126 62.853 63.100 -0.201 0.000 0.798 87 P CB 1.310 32.900 31.700 -0.184 0.000 0.979 88 S N 0.399 116.045 115.700 -0.090 0.000 2.595 88 S HA 0.412 4.899 4.470 0.027 0.000 0.270 88 S C -1.241 173.303 174.600 -0.093 0.000 1.145 88 S CA -1.046 57.093 58.200 -0.103 0.000 0.825 88 S CB 0.517 63.582 63.200 -0.225 0.000 1.107 88 S HN 0.348 nan 8.310 nan 0.000 0.461 89 N N 0.902 119.487 118.700 -0.192 0.000 2.408 89 N HA 0.432 5.188 4.740 0.027 0.000 0.280 89 N C 0.490 175.840 175.510 -0.267 0.000 1.002 89 N CA -0.869 52.042 53.050 -0.231 0.000 0.907 89 N CB 0.723 39.042 38.487 -0.281 0.000 1.161 89 N HN 0.869 nan 8.380 nan 0.000 0.488 90 W N 2.421 123.589 121.300 -0.220 0.000 2.421 90 W HA -0.072 4.604 4.660 0.028 0.000 0.270 90 W C 0.960 177.445 176.519 -0.057 0.000 1.233 90 W CA 0.650 57.865 57.345 -0.216 0.000 1.226 90 W CB -0.324 29.023 29.460 -0.188 0.000 1.121 90 W HN 0.505 nan 8.180 nan 0.000 0.579 91 Q N 0.506 120.289 119.800 -0.029 0.000 2.170 91 Q HA -0.114 4.242 4.340 0.027 0.000 0.203 91 Q C 2.121 178.056 176.000 -0.110 0.000 0.976 91 Q CA 1.729 57.502 55.803 -0.051 0.000 0.858 91 Q CB -0.554 28.033 28.738 -0.251 0.000 0.907 91 Q HN 0.268 nan 8.270 nan 0.000 0.433 92 M N -0.842 118.660 119.600 -0.163 0.000 2.619 92 M HA -0.023 4.473 4.480 0.027 0.000 0.251 92 M C 0.626 176.969 176.300 0.072 0.000 1.106 92 M CA 1.269 56.497 55.300 -0.120 0.000 1.086 92 M CB -0.533 31.983 32.600 -0.141 0.000 1.465 92 M HN 0.381 nan 8.290 nan 0.000 0.506 93 H N -1.002 118.065 119.070 -0.005 0.000 2.586 93 H HA 0.291 4.864 4.556 0.028 0.000 0.273 93 H C 1.315 176.494 175.328 -0.249 0.000 0.997 93 H CA 0.163 56.175 56.048 -0.061 0.000 1.177 93 H CB 0.541 30.352 29.762 0.082 0.000 1.471 93 H HN 0.539 nan 8.280 nan 0.000 0.538 94 G N 0.542 109.314 108.800 -0.048 0.000 2.157 94 G HA2 -0.352 3.624 3.960 0.027 0.000 0.248 94 G HA3 -0.352 3.624 3.960 0.027 0.000 0.248 94 G C 0.393 175.147 174.900 -0.245 0.000 0.979 94 G CA 0.261 45.267 45.100 -0.155 0.000 0.650 94 G HN 0.467 nan 8.290 nan 0.000 0.529 95 Y N 1.623 121.936 120.300 0.022 0.000 2.373 95 Y HA 0.275 4.842 4.550 0.027 0.000 0.293 95 Y C 1.651 177.344 175.900 -0.345 0.000 1.129 95 Y CA 1.502 59.505 58.100 -0.161 0.000 1.226 95 Y CB 0.249 38.673 38.460 -0.060 0.000 1.000 95 Y HN 0.639 nan 8.280 nan 0.000 0.549 96 D N -1.843 118.632 120.400 0.125 0.000 2.692 96 D HA 0.490 5.147 4.640 0.027 0.000 0.303 96 D C -1.239 175.146 176.300 0.141 0.000 1.278 96 D CA -0.883 53.192 54.000 0.125 0.000 0.852 96 D CB 0.765 41.771 40.800 0.344 0.000 1.375 96 D HN -0.068 nan 8.370 nan 0.000 0.453 97 A N 0.038 122.949 122.820 0.151 0.000 2.310 97 A HA 0.718 5.055 4.320 0.027 0.000 0.299 97 A C -2.348 175.261 177.584 0.042 0.000 1.147 97 A CA -1.232 50.865 52.037 0.100 0.000 0.818 97 A CB 0.239 19.371 19.000 0.221 0.000 1.096 97 A HN 0.552 nan 8.150 nan 0.000 0.495 98 P HA 0.452 nan 4.420 nan 0.000 0.277 98 P C -0.917 176.556 177.300 0.288 0.000 1.240 98 P CA 0.046 63.084 63.100 -0.103 0.000 0.798 98 P CB 0.853 32.209 31.700 -0.573 0.000 0.979 99 I N 2.190 123.043 120.570 0.470 0.000 2.465 99 I HA 0.257 4.443 4.170 0.027 0.000 0.291 99 I C -0.670 175.661 176.117 0.357 0.000 1.014 99 I CA -0.988 60.579 61.300 0.444 0.000 1.093 99 I CB 1.842 40.026 38.000 0.306 0.000 1.267 99 I HN 0.295 nan 8.210 nan 0.000 0.431 100 Y N 6.129 126.379 120.300 -0.083 0.000 2.478 100 Y HA 0.512 5.078 4.550 0.027 0.000 0.329 100 Y C -0.367 175.376 175.900 -0.263 0.000 0.967 100 Y CA -0.543 57.217 58.100 -0.567 0.000 1.255 100 Y CB 1.146 38.748 38.460 -1.431 0.000 1.103 100 Y HN 0.519 nan 8.280 nan 0.000 0.497 101 T N 5.212 119.262 114.554 -0.841 0.000 2.861 101 T HA 0.263 4.629 4.350 0.027 0.000 0.287 101 T C 0.214 174.434 174.700 -0.801 0.000 1.003 101 T CA -0.571 61.077 62.100 -0.754 0.000 0.977 101 T CB 1.064 69.723 68.868 -0.349 0.000 0.996 101 T HN 0.772 nan 8.240 nan 0.000 0.448 102 N N 2.973 121.241 118.700 -0.720 0.000 2.272 102 N HA 0.041 4.798 4.740 0.027 0.000 0.195 102 N C 1.580 176.825 175.510 -0.442 0.000 1.048 102 N CA 1.516 54.281 53.050 -0.476 0.000 0.912 102 N CB -0.627 37.599 38.487 -0.436 0.000 1.096 102 N HN 0.401 nan 8.380 nan 0.000 0.471 103 V N 0.495 120.083 119.914 -0.543 0.000 2.374 103 V HA 0.087 4.223 4.120 0.027 0.000 0.241 103 V C 0.464 176.251 176.094 -0.511 0.000 1.034 103 V CA 0.969 62.868 62.300 -0.667 0.000 1.037 103 V CB -0.878 30.445 31.823 -0.834 0.000 0.682 103 V HN 0.327 nan 8.190 nan 0.000 0.463 104 T N 1.076 115.397 114.554 -0.387 0.000 2.871 104 T HA 0.097 4.463 4.350 0.027 0.000 0.296 104 T C -0.342 174.235 174.700 -0.205 0.000 0.998 104 T CA 0.328 62.282 62.100 -0.244 0.000 1.162 104 T CB -0.287 68.464 68.868 -0.194 0.000 0.947 104 T HN 0.176 nan 8.240 nan 0.000 0.536 105 Y N 4.735 124.936 120.300 -0.166 0.000 2.550 105 Y HA 0.119 4.685 4.550 0.027 0.000 0.343 105 Y C -0.749 175.027 175.900 -0.207 0.000 1.245 105 Y CA -1.635 56.360 58.100 -0.176 0.000 1.462 105 Y CB 0.439 38.790 38.460 -0.182 0.000 1.340 105 Y HN 0.510 nan 8.280 nan 0.000 0.604 106 P HA 0.002 nan 4.420 nan 0.000 0.241 106 P C -0.312 176.775 177.300 -0.355 0.000 1.191 106 P CA 1.076 64.076 63.100 -0.166 0.000 0.771 106 P CB 0.086 31.723 31.700 -0.106 0.000 0.929 107 I N -4.841 115.489 120.570 -0.400 0.000 2.892 107 I HA 0.486 4.672 4.170 0.027 0.000 0.306 107 I C -0.601 175.378 176.117 -0.229 0.000 1.078 107 I CA -1.178 59.852 61.300 -0.451 0.000 1.032 107 I CB 1.885 39.459 38.000 -0.711 0.000 1.229 107 I HN -0.447 nan 8.210 nan 0.000 0.435 108 T N 3.035 117.497 114.554 -0.153 0.000 2.934 108 T HA 0.127 4.493 4.350 0.027 0.000 0.306 108 T C 0.231 174.905 174.700 -0.043 0.000 1.042 108 T CA -0.205 61.856 62.100 -0.065 0.000 1.145 108 T CB 0.610 69.466 68.868 -0.019 0.000 0.982 108 T HN 0.383 nan 8.240 nan 0.000 0.544 109 V N 4.723 124.626 119.914 -0.018 0.000 2.397 109 V HA 0.258 4.394 4.120 0.027 0.000 0.262 109 V C 0.670 176.805 176.094 0.069 0.000 1.047 109 V CA -0.177 62.132 62.300 0.015 0.000 1.003 109 V CB -0.003 31.809 31.823 -0.017 0.000 1.037 109 V HN 0.897 nan 8.190 nan 0.000 0.480 110 N N 6.080 124.880 118.700 0.166 0.000 2.725 110 N HA 0.228 4.985 4.740 0.027 0.000 0.225 110 N C -2.982 172.606 175.510 0.129 0.000 1.465 110 N CA -1.084 52.053 53.050 0.146 0.000 0.830 110 N CB 1.432 40.047 38.487 0.213 0.000 1.460 110 N HN 0.276 nan 8.380 nan 0.000 0.538 111 P HA 0.230 nan 4.420 nan 0.000 0.269 111 P C -2.303 174.763 177.300 -0.389 0.000 1.209 111 P CA -0.724 61.969 63.100 -0.679 0.000 0.776 111 P CB 0.520 31.623 31.700 -0.996 0.000 0.876 112 P HA 0.258 nan 4.420 nan 0.000 0.262 112 P C -0.498 176.693 177.300 -0.181 0.000 1.651 112 P CA -0.287 62.606 63.100 -0.346 0.000 1.119 112 P CB -0.019 31.466 31.700 -0.359 0.000 1.552 113 F N 0.851 120.915 119.950 0.190 0.000 2.370 113 F HA 0.362 4.906 4.527 0.028 0.000 0.319 113 F C 1.342 177.315 175.800 0.288 0.000 1.129 113 F CA -0.747 57.375 58.000 0.203 0.000 1.109 113 F CB 0.970 40.035 39.000 0.108 0.000 1.262 113 F HN -0.202 nan 8.300 nan 0.000 0.534 114 V N -1.191 119.000 119.914 0.462 0.000 3.126 114 V HA 0.707 4.843 4.120 0.027 0.000 0.314 114 V C -2.800 173.446 176.094 0.254 0.000 1.138 114 V CA -2.747 59.740 62.300 0.313 0.000 1.034 114 V CB 1.401 33.456 31.823 0.386 0.000 1.075 114 V HN 0.483 nan 8.190 nan 0.000 0.442 115 P HA 0.222 nan 4.420 nan 0.000 0.269 115 P C 1.003 178.429 177.300 0.210 0.000 1.215 115 P CA 0.527 63.709 63.100 0.137 0.000 0.780 115 P CB 0.537 32.285 31.700 0.080 0.000 0.898 116 T N -2.131 112.521 114.554 0.163 0.000 2.904 116 T HA -0.078 4.288 4.350 0.027 0.000 0.267 116 T C 0.509 175.306 174.700 0.163 0.000 1.059 116 T CA 0.812 63.014 62.100 0.169 0.000 1.137 116 T CB -0.583 68.355 68.868 0.116 0.000 0.879 116 T HN 0.369 nan 8.240 nan 0.000 0.467 117 E N 2.588 122.884 120.200 0.161 0.000 1.893 117 E HA 0.285 4.651 4.350 0.027 0.000 0.269 117 E C -0.724 176.018 176.600 0.236 0.000 1.129 117 E CA -0.377 56.124 56.400 0.168 0.000 0.904 117 E CB 0.123 29.932 29.700 0.180 0.000 1.077 117 E HN 0.244 nan 8.360 nan 0.000 0.407 118 N N 4.259 123.074 118.700 0.191 0.000 2.569 118 N HA 0.251 5.007 4.740 0.027 0.000 0.254 118 N C -2.825 172.715 175.510 0.050 0.000 1.004 118 N CA -2.624 50.582 53.050 0.260 0.000 0.904 118 N CB 1.072 39.687 38.487 0.214 0.000 1.165 118 N HN 0.044 nan 8.380 nan 0.000 0.513 119 P HA 0.035 nan 4.420 nan 0.000 0.261 119 P C -0.863 176.340 177.300 -0.162 0.000 1.183 119 P CA 0.464 63.494 63.100 -0.116 0.000 0.761 119 P CB 0.412 32.346 31.700 0.391 0.000 0.785 120 T N 2.971 117.159 114.554 -0.610 0.000 2.809 120 T HA 0.553 4.919 4.350 0.027 0.000 0.284 120 T C 0.216 174.402 174.700 -0.855 0.000 0.992 120 T CA -0.554 61.256 62.100 -0.483 0.000 0.957 120 T CB 1.451 70.067 68.868 -0.419 0.000 0.942 120 T HN 0.325 nan 8.240 nan 0.000 0.439 121 G N 1.154 109.501 108.800 -0.755 0.000 2.384 121 G HA2 0.469 4.446 3.960 0.027 0.000 0.316 121 G HA3 0.469 4.446 3.960 0.027 0.000 0.316 121 G C -0.229 174.394 174.900 -0.462 0.000 1.160 121 G CA -0.342 44.163 45.100 -0.992 0.000 0.936 121 G HN 0.857 nan 8.290 nan 0.000 0.455 122 C N 3.396 122.211 119.300 -0.809 0.000 2.200 122 C HA 0.464 4.941 4.460 0.027 0.000 0.328 122 C C -0.504 174.428 174.990 -0.097 0.000 1.148 122 C CA -0.848 57.842 59.018 -0.547 0.000 1.624 122 C CB -1.859 25.198 27.740 -1.137 0.000 2.167 122 C HN 0.625 nan 8.230 nan 0.000 0.484 123 Y N 1.937 122.513 120.300 0.460 0.000 2.420 123 Y HA 0.654 5.220 4.550 0.028 0.000 0.334 123 Y C 0.758 177.107 175.900 0.748 0.000 1.094 123 Y CA -0.184 58.296 58.100 0.633 0.000 1.126 123 Y CB 1.562 40.384 38.460 0.603 0.000 1.217 123 Y HN 0.654 nan 8.280 nan 0.000 0.462 124 S N 2.031 118.209 115.700 0.797 0.000 2.570 124 S HA 0.814 5.301 4.470 0.027 0.000 0.270 124 S C -2.042 172.643 174.600 0.142 0.000 1.149 124 S CA -0.801 57.648 58.200 0.414 0.000 0.837 124 S CB 2.177 65.502 63.200 0.209 0.000 1.124 124 S HN 0.576 nan 8.310 nan 0.000 0.465 125 L N 0.922 122.047 121.223 -0.162 0.000 2.493 125 L HA 0.698 5.054 4.340 0.027 0.000 0.265 125 L C -1.020 175.803 176.870 -0.078 0.000 0.954 125 L CA 0.148 54.741 54.840 -0.411 0.000 0.844 125 L CB 2.205 43.529 42.059 -1.225 0.000 1.302 125 L HN 0.936 nan 8.230 nan 0.000 0.405 126 T N 5.745 120.277 114.554 -0.036 0.000 2.767 126 T HA 0.747 5.114 4.350 0.027 0.000 0.284 126 T C -0.819 173.923 174.700 0.069 0.000 0.973 126 T CA 0.034 62.140 62.100 0.010 0.000 0.996 126 T CB 0.220 69.061 68.868 -0.045 0.000 0.927 126 T HN 0.442 nan 8.240 nan 0.000 0.456 127 F N 0.975 120.826 119.950 -0.166 0.000 2.645 127 F HA 0.723 5.267 4.527 0.028 0.000 0.310 127 F C -0.763 174.954 175.800 -0.138 0.000 1.102 127 F CA -1.549 56.352 58.000 -0.165 0.000 0.952 127 F CB 1.324 40.202 39.000 -0.204 0.000 1.326 127 F HN 0.338 nan 8.300 nan 0.000 0.456 128 N N 0.556 119.174 118.700 -0.136 0.000 2.509 128 N HA 0.611 5.368 4.740 0.027 0.000 0.287 128 N C -1.811 173.565 175.510 -0.223 0.000 1.121 128 N CA -0.388 52.524 53.050 -0.229 0.000 0.977 128 N CB 1.842 40.247 38.487 -0.136 0.000 1.167 128 N HN 0.638 nan 8.380 nan 0.000 0.476 129 V N 2.253 122.009 119.914 -0.262 0.000 2.531 129 V HA 0.232 4.369 4.120 0.027 0.000 0.301 129 V C -0.446 175.533 176.094 -0.191 0.000 1.034 129 V CA -0.912 61.245 62.300 -0.240 0.000 0.865 129 V CB 1.428 33.172 31.823 -0.132 0.000 0.995 129 V HN 0.777 nan 8.190 nan 0.000 0.424 130 D N 2.495 122.744 120.400 -0.252 0.000 2.382 130 D HA 0.119 4.775 4.640 0.027 0.000 0.245 130 D C 1.131 177.443 176.300 0.020 0.000 1.120 130 D CA -0.008 53.929 54.000 -0.105 0.000 0.890 130 D CB 1.360 42.104 40.800 -0.094 0.000 1.201 130 D HN 0.660 nan 8.370 nan 0.000 0.433 131 E N 1.478 121.698 120.200 0.033 0.000 2.209 131 E HA -0.204 4.162 4.350 0.027 0.000 0.196 131 E C 1.649 178.321 176.600 0.118 0.000 0.993 131 E CA 1.675 58.115 56.400 0.067 0.000 0.819 131 E CB -0.285 29.439 29.700 0.040 0.000 0.745 131 E HN 0.465 nan 8.360 nan 0.000 0.477 132 S N -1.044 114.737 115.700 0.135 0.000 2.400 132 S HA -0.171 4.315 4.470 0.027 0.000 0.232 132 S C 1.768 176.460 174.600 0.153 0.000 1.025 132 S CA 1.032 59.310 58.200 0.131 0.000 0.993 132 S CB -0.869 62.406 63.200 0.126 0.000 0.808 132 S HN 0.388 nan 8.310 nan 0.000 0.478 133 W N 1.670 122.917 121.300 -0.088 0.000 2.519 133 W HA 0.367 5.043 4.660 0.027 0.000 0.266 133 W C 1.805 178.399 176.519 0.126 0.000 1.253 133 W CA -0.052 57.234 57.345 -0.099 0.000 1.274 133 W CB -0.417 29.056 29.460 0.020 0.000 1.114 133 W HN 0.309 nan 8.180 nan 0.000 0.596 134 L N -0.876 120.528 121.223 0.301 0.000 2.590 134 L HA 0.119 4.476 4.340 0.027 0.000 0.227 134 L C 2.097 179.058 176.870 0.150 0.000 1.099 134 L CA 0.247 55.221 54.840 0.223 0.000 0.872 134 L CB -0.544 41.616 42.059 0.168 0.000 1.088 134 L HN -0.130 nan 8.230 nan 0.000 0.479 135 Q N 0.492 120.369 119.800 0.128 0.000 2.172 135 Q HA 0.000 4.357 4.340 0.027 0.000 0.200 135 Q C 0.148 176.202 176.000 0.089 0.000 0.964 135 Q CA 1.067 56.923 55.803 0.087 0.000 0.855 135 Q CB 0.592 29.369 28.738 0.065 0.000 0.918 135 Q HN 0.290 nan 8.270 nan 0.000 0.444 136 E N -1.754 118.520 120.200 0.122 0.000 2.408 136 E HA 0.496 4.862 4.350 0.027 0.000 0.275 136 E C -0.326 176.385 176.600 0.185 0.000 0.935 136 E CA 0.059 56.528 56.400 0.116 0.000 0.775 136 E CB 1.722 31.483 29.700 0.101 0.000 1.277 136 E HN 0.273 nan 8.360 nan 0.000 0.455 137 G N 1.423 110.267 108.800 0.072 0.000 2.741 137 G HA2 -0.250 3.726 3.960 0.027 0.000 0.222 137 G HA3 -0.250 3.726 3.960 0.027 0.000 0.222 137 G C -0.609 174.209 174.900 -0.137 0.000 1.364 137 G CA -0.089 44.965 45.100 -0.078 0.000 0.866 137 G HN 0.493 nan 8.290 nan 0.000 0.555 138 Q N -0.538 119.029 119.800 -0.390 0.000 2.333 138 Q HA 0.636 4.992 4.340 0.027 0.000 0.267 138 Q C -0.888 174.956 176.000 -0.261 0.000 1.012 138 Q CA -0.487 55.184 55.803 -0.221 0.000 0.824 138 Q CB 1.458 30.096 28.738 -0.167 0.000 1.290 138 Q HN 0.607 nan 8.270 nan 0.000 0.449 139 T N 5.147 119.719 114.554 0.029 0.000 2.770 139 T HA 0.427 4.793 4.350 0.027 0.000 0.297 139 T C -0.557 174.259 174.700 0.192 0.000 0.997 139 T CA -0.599 61.624 62.100 0.206 0.000 0.949 139 T CB 0.338 69.469 68.868 0.438 0.000 0.941 139 T HN 0.606 nan 8.240 nan 0.000 0.457 140 R N 2.920 123.519 120.500 0.164 0.000 2.832 140 R HA 0.781 5.137 4.340 0.027 0.000 0.271 140 R C -0.975 175.421 176.300 0.161 0.000 0.996 140 R CA -0.992 55.203 56.100 0.158 0.000 0.977 140 R CB 1.488 31.855 30.300 0.113 0.000 1.168 140 R HN 0.536 nan 8.270 nan 0.000 0.482 141 I N 2.083 122.747 120.570 0.157 0.000 2.460 141 I HA 0.451 4.637 4.170 0.027 0.000 0.298 141 I C -1.071 175.083 176.117 0.062 0.000 0.989 141 I CA -1.241 60.098 61.300 0.064 0.000 1.173 141 I CB 1.336 39.367 38.000 0.051 0.000 1.338 141 I HN 0.610 nan 8.210 nan 0.000 0.456 142 I N 7.131 127.632 120.570 -0.114 0.000 2.447 142 I HA 0.299 4.485 4.170 0.027 0.000 0.287 142 I C -1.354 174.623 176.117 -0.235 0.000 1.023 142 I CA -0.372 60.889 61.300 -0.064 0.000 1.083 142 I CB 1.630 39.603 38.000 -0.046 0.000 1.245 142 I HN 0.395 nan 8.210 nan 0.000 0.434 143 F N 4.484 124.432 119.950 -0.004 0.000 2.332 143 F HA 0.283 4.827 4.527 0.027 0.000 0.368 143 F C 1.263 176.965 175.800 -0.165 0.000 1.110 143 F CA -0.461 57.468 58.000 -0.119 0.000 1.087 143 F CB 0.947 39.849 39.000 -0.162 0.000 1.235 143 F HN 0.453 nan 8.300 nan 0.000 0.470 144 D N 2.352 122.681 120.400 -0.120 0.000 2.264 144 D HA 0.057 4.713 4.640 0.027 0.000 0.208 144 D C 0.955 177.101 176.300 -0.257 0.000 0.966 144 D CA 0.857 54.740 54.000 -0.194 0.000 0.864 144 D CB 0.421 41.045 40.800 -0.294 0.000 0.933 144 D HN 0.624 nan 8.370 nan 0.000 0.499 145 G N -0.431 108.159 108.800 -0.351 0.000 2.635 145 G HA2 0.436 4.412 3.960 0.027 0.000 0.295 145 G HA3 0.436 4.412 3.960 0.027 0.000 0.295 145 G C -1.494 173.162 174.900 -0.407 0.000 1.359 145 G CA -0.411 44.380 45.100 -0.515 0.000 1.232 145 G HN -0.061 nan 8.290 nan 0.000 0.597 146 V N 2.558 122.444 119.914 -0.047 0.000 2.569 146 V HA 0.522 4.658 4.120 0.027 0.000 0.301 146 V C -0.886 175.300 176.094 0.154 0.000 1.044 146 V CA -1.155 61.116 62.300 -0.048 0.000 0.874 146 V CB 1.939 33.498 31.823 -0.440 0.000 1.002 146 V HN 0.715 nan 8.190 nan 0.000 0.424 147 N N 2.555 121.341 118.700 0.144 0.000 2.443 147 N HA 0.340 5.096 4.740 0.027 0.000 0.269 147 N C 0.563 176.012 175.510 -0.102 0.000 0.985 147 N CA 0.164 53.209 53.050 -0.008 0.000 0.921 147 N CB 2.203 40.538 38.487 -0.254 0.000 1.195 147 N HN 0.671 nan 8.380 nan 0.000 0.492 148 S N 1.937 117.614 115.700 -0.039 0.000 2.526 148 S HA 0.586 5.072 4.470 0.027 0.000 0.220 148 S C 0.250 174.915 174.600 0.109 0.000 1.017 148 S CA 0.084 58.311 58.200 0.045 0.000 0.930 148 S CB 0.318 63.555 63.200 0.063 0.000 0.856 148 S HN 0.672 nan 8.310 nan 0.000 0.497 149 A N 0.829 123.726 122.820 0.128 0.000 2.605 149 A HA 0.744 5.081 4.320 0.027 0.000 0.294 149 A C -1.277 176.404 177.584 0.161 0.000 1.062 149 A CA -0.968 51.106 52.037 0.062 0.000 0.682 149 A CB 0.751 19.827 19.000 0.127 0.000 1.278 149 A HN 1.088 nan 8.150 nan 0.000 0.410 150 F N -0.488 119.279 119.950 -0.306 0.000 2.693 150 F HA 0.747 5.290 4.527 0.027 0.000 0.309 150 F C -1.017 174.678 175.800 -0.176 0.000 1.129 150 F CA -0.846 57.080 58.000 -0.123 0.000 0.948 150 F CB 1.128 40.040 39.000 -0.148 0.000 1.315 150 F HN 0.625 nan 8.300 nan 0.000 0.447 151 H N 1.695 120.916 119.070 0.251 0.000 2.499 151 H HA 0.698 5.271 4.556 0.028 0.000 0.340 151 H C -1.414 173.905 175.328 -0.015 0.000 1.148 151 H CA -0.698 55.373 56.048 0.038 0.000 1.215 151 H CB 2.489 32.251 29.762 0.001 0.000 1.529 151 H HN 0.740 nan 8.280 nan 0.000 0.510 152 L N 3.038 124.071 121.223 -0.316 0.000 2.385 152 L HA 0.388 4.745 4.340 0.027 0.000 0.273 152 L C -1.576 175.043 176.870 -0.418 0.000 0.990 152 L CA -0.526 54.188 54.840 -0.210 0.000 0.821 152 L CB 1.343 43.108 42.059 -0.490 0.000 1.279 152 L HN 0.526 nan 8.230 nan 0.000 0.412 153 W N 4.410 125.684 121.300 -0.043 0.000 2.761 153 W HA 0.614 5.291 4.660 0.028 0.000 0.340 153 W C -1.093 175.369 176.519 -0.096 0.000 1.072 153 W CA -0.849 56.452 57.345 -0.074 0.000 1.215 153 W CB 2.082 31.539 29.460 -0.006 0.000 1.420 153 W HN 0.606 nan 8.180 nan 0.000 0.519 154 C N 4.498 123.883 119.300 0.141 0.000 2.431 154 C HA 0.304 4.780 4.460 0.027 0.000 0.321 154 C C 0.255 175.370 174.990 0.208 0.000 1.202 154 C CA -0.357 58.743 59.018 0.136 0.000 1.398 154 C CB -0.388 27.372 27.740 0.034 0.000 2.047 154 C HN 0.823 nan 8.230 nan 0.000 0.465 155 N N 3.508 122.287 118.700 0.131 0.000 2.721 155 N HA -0.188 4.568 4.740 0.027 0.000 0.249 155 N C 0.958 176.531 175.510 0.106 0.000 1.072 155 N CA 2.102 55.206 53.050 0.090 0.000 0.710 155 N CB -1.339 37.205 38.487 0.094 0.000 0.993 155 N HN 1.888 nan 8.380 nan 0.000 0.547 156 G N -1.299 107.557 108.800 0.094 0.000 2.205 156 G HA2 -0.363 3.614 3.960 0.027 0.000 0.261 156 G HA3 -0.363 3.614 3.960 0.027 0.000 0.261 156 G C 0.125 175.189 174.900 0.272 0.000 0.980 156 G CA 0.614 45.763 45.100 0.081 0.000 0.632 156 G HN 0.550 nan 8.290 nan 0.000 0.533 157 R N -1.013 119.716 120.500 0.382 0.000 2.460 157 R HA 0.445 4.802 4.340 0.027 0.000 0.303 157 R C -0.298 176.333 176.300 0.550 0.000 0.968 157 R CA -0.886 55.512 56.100 0.497 0.000 0.889 157 R CB 1.146 31.747 30.300 0.501 0.000 1.123 157 R HN 0.194 nan 8.270 nan 0.000 0.455 158 W N 3.413 124.891 121.300 0.297 0.000 2.253 158 W HA 0.090 4.766 4.660 0.027 0.000 0.322 158 W C 0.068 176.495 176.519 -0.154 0.000 1.342 158 W CA 0.065 57.276 57.345 -0.224 0.000 1.218 158 W CB 0.704 30.014 29.460 -0.250 0.000 1.205 158 W HN 0.324 nan 8.180 nan 0.000 0.551 159 V N 5.144 124.265 119.914 -1.322 0.000 2.806 159 V HA 0.528 4.664 4.120 0.027 0.000 0.239 159 V C 1.017 176.113 176.094 -1.663 0.000 1.113 159 V CA 1.075 62.584 62.300 -1.318 0.000 1.137 159 V CB -0.221 30.870 31.823 -1.220 0.000 0.865 159 V HN 0.825 nan 8.190 nan 0.000 0.482 160 G N -1.698 105.888 108.800 -2.024 0.000 2.427 160 G HA2 0.460 4.437 3.960 0.027 0.000 0.306 160 G HA3 0.460 4.437 3.960 0.027 0.000 0.306 160 G C -2.381 172.095 174.900 -0.708 0.000 1.280 160 G CA -0.151 44.142 45.100 -1.344 0.000 0.837 160 G HN 0.029 nan 8.290 nan 0.000 0.482 161 Y N -0.596 119.453 120.300 -0.419 0.000 2.581 161 Y HA 0.688 5.254 4.550 0.027 0.000 0.337 161 Y C -0.202 175.470 175.900 -0.380 0.000 1.108 161 Y CA -0.076 57.714 58.100 -0.518 0.000 1.033 161 Y CB 2.067 40.381 38.460 -0.244 0.000 1.318 161 Y HN 1.302 nan 8.280 nan 0.000 0.459 162 G N 3.508 111.442 108.800 -1.444 0.000 2.696 162 G HA2 0.596 4.573 3.960 0.027 0.000 0.295 162 G HA3 0.596 4.573 3.960 0.027 0.000 0.295 162 G C -2.115 172.318 174.900 -0.778 0.000 1.398 162 G CA -0.858 43.723 45.100 -0.864 0.000 0.920 162 G HN 0.633 nan 8.290 nan 0.000 0.492 163 Q N -0.314 119.289 119.800 -0.329 0.000 2.668 163 Q HA 0.583 4.939 4.340 0.027 0.000 0.298 163 Q C -1.376 174.625 176.000 0.001 0.000 1.071 163 Q CA -0.836 54.900 55.803 -0.112 0.000 0.789 163 Q CB 2.635 31.364 28.738 -0.015 0.000 1.497 163 Q HN 0.658 nan 8.270 nan 0.000 0.460 164 D N -0.192 120.247 120.400 0.065 0.000 4.535 164 D HA -0.097 4.559 4.640 0.027 0.000 0.236 164 D C -0.532 175.833 176.300 0.109 0.000 1.142 164 D CA 0.485 54.539 54.000 0.090 0.000 1.102 164 D CB -0.644 40.192 40.800 0.061 0.000 0.703 164 D HN 0.532 nan 8.370 nan 0.000 0.331 165 S N 3.276 119.054 115.700 0.130 0.000 2.547 165 S HA -0.066 4.420 4.470 0.027 0.000 0.235 165 S C 1.535 176.271 174.600 0.227 0.000 0.980 165 S CA 0.543 58.849 58.200 0.175 0.000 0.941 165 S CB 0.238 63.504 63.200 0.111 0.000 0.763 165 S HN 0.461 nan 8.310 nan 0.000 0.532 166 R N 0.103 120.699 120.500 0.159 0.000 2.543 166 R HA 0.441 4.797 4.340 0.027 0.000 0.323 166 R C -0.393 175.976 176.300 0.115 0.000 1.002 166 R CA 0.047 56.244 56.100 0.162 0.000 1.106 166 R CB 0.154 30.565 30.300 0.186 0.000 1.280 166 R HN 0.323 nan 8.270 nan 0.000 0.549 167 L N 1.308 122.569 121.223 0.063 0.000 2.350 167 L HA 0.533 4.890 4.340 0.027 0.000 0.260 167 L C -2.387 174.469 176.870 -0.024 0.000 1.015 167 L CA -2.267 52.579 54.840 0.010 0.000 0.821 167 L CB 2.960 45.014 42.059 -0.009 0.000 1.370 167 L HN -0.198 nan 8.230 nan 0.000 0.416 168 P HA 0.146 nan 4.420 nan 0.000 0.275 168 P C -1.089 176.178 177.300 -0.055 0.000 1.227 168 P CA -0.301 62.759 63.100 -0.067 0.000 0.781 168 P CB 1.279 32.900 31.700 -0.131 0.000 0.906 169 S N 1.896 117.625 115.700 0.048 0.000 2.456 169 S HA 0.313 4.800 4.470 0.027 0.000 0.316 169 S C -0.392 174.164 174.600 -0.074 0.000 1.089 169 S CA -0.570 57.614 58.200 -0.027 0.000 1.101 169 S CB 0.764 64.103 63.200 0.232 0.000 0.995 169 S HN 0.361 nan 8.310 nan 0.000 0.468 170 E N 2.083 122.026 120.200 -0.429 0.000 2.238 170 E HA 0.552 4.919 4.350 0.027 0.000 0.267 170 E C -1.423 174.785 176.600 -0.653 0.000 0.887 170 E CA -0.559 55.670 56.400 -0.285 0.000 0.769 170 E CB 1.716 31.351 29.700 -0.108 0.000 1.187 170 E HN 0.406 nan 8.360 nan 0.000 0.416 171 F N 0.607 120.613 119.950 0.095 0.000 2.565 171 F HA 0.187 4.731 4.527 0.028 0.000 0.313 171 F C 0.073 175.897 175.800 0.039 0.000 1.091 171 F CA -1.114 56.903 58.000 0.028 0.000 0.915 171 F CB 1.556 40.537 39.000 -0.031 0.000 1.208 171 F HN 0.285 nan 8.300 nan 0.000 0.453 172 D N 2.939 123.467 120.400 0.213 0.000 2.339 172 D HA 0.182 4.838 4.640 0.027 0.000 0.256 172 D C 0.319 176.757 176.300 0.231 0.000 1.214 172 D CA 0.343 54.453 54.000 0.184 0.000 0.877 172 D CB 0.859 41.750 40.800 0.151 0.000 1.111 172 D HN 0.558 nan 8.370 nan 0.000 0.478 173 L N 2.881 124.245 121.223 0.235 0.000 2.667 173 L HA 0.038 4.395 4.340 0.027 0.000 0.232 173 L C 2.048 179.148 176.870 0.383 0.000 1.138 173 L CA -0.177 54.842 54.840 0.299 0.000 0.921 173 L CB 0.024 42.225 42.059 0.236 0.000 1.180 173 L HN 0.275 nan 8.230 nan 0.000 0.487 174 S N 1.375 117.245 115.700 0.283 0.000 2.380 174 S HA -0.241 4.245 4.470 0.027 0.000 0.229 174 S C 2.006 176.715 174.600 0.180 0.000 1.043 174 S CA 1.746 60.073 58.200 0.211 0.000 1.038 174 S CB -0.111 63.171 63.200 0.137 0.000 0.872 174 S HN 0.561 nan 8.310 nan 0.000 0.456 175 A N -0.601 122.314 122.820 0.159 0.000 2.251 175 A HA 0.364 4.701 4.320 0.027 0.000 0.209 175 A C 1.164 178.654 177.584 -0.157 0.000 1.187 175 A CA 0.216 52.227 52.037 -0.044 0.000 0.823 175 A CB -0.391 18.503 19.000 -0.176 0.000 0.846 175 A HN 0.473 nan 8.150 nan 0.000 0.486 176 F N -0.958 119.035 119.950 0.070 0.000 2.724 176 F HA 0.396 4.939 4.527 0.027 0.000 0.306 176 F C 0.623 176.460 175.800 0.062 0.000 1.100 176 F CA -0.106 57.934 58.000 0.067 0.000 1.255 176 F CB 0.186 39.232 39.000 0.076 0.000 1.072 176 F HN -0.020 nan 8.300 nan 0.000 0.589 177 L N 0.899 122.266 121.223 0.241 0.000 2.400 177 L HA 0.570 4.926 4.340 0.027 0.000 0.264 177 L C 0.127 177.039 176.870 0.070 0.000 1.061 177 L CA -0.897 54.029 54.840 0.143 0.000 0.799 177 L CB 1.457 43.616 42.059 0.166 0.000 1.240 177 L HN -0.021 nan 8.230 nan 0.000 0.461 178 R N 1.061 121.563 120.500 0.004 0.000 2.771 178 R HA 0.775 5.131 4.340 0.027 0.000 0.274 178 R C -1.074 175.201 176.300 -0.042 0.000 0.987 178 R CA -0.823 55.270 56.100 -0.011 0.000 0.908 178 R CB 1.625 31.911 30.300 -0.023 0.000 1.213 178 R HN 0.571 nan 8.270 nan 0.000 0.468 179 A N 1.363 124.168 122.820 -0.024 0.000 2.531 179 A HA 0.452 4.789 4.320 0.027 0.000 0.236 179 A C 1.083 178.618 177.584 -0.081 0.000 1.062 179 A CA 1.204 53.217 52.037 -0.040 0.000 0.760 179 A CB -0.732 18.259 19.000 -0.015 0.000 0.995 179 A HN 1.444 nan 8.150 nan 0.000 0.501 180 G N 1.386 110.119 108.800 -0.111 0.000 2.488 180 G HA2 -0.113 3.863 3.960 0.027 0.000 0.237 180 G HA3 -0.113 3.863 3.960 0.027 0.000 0.237 180 G C -0.336 174.440 174.900 -0.207 0.000 1.209 180 G CA -0.007 45.014 45.100 -0.131 0.000 0.929 180 G HN 0.969 nan 8.290 nan 0.000 0.578 181 E N 2.010 122.094 120.200 -0.193 0.000 2.354 181 E HA 0.426 4.792 4.350 0.027 0.000 0.269 181 E C 0.305 176.710 176.600 -0.326 0.000 1.036 181 E CA -0.030 56.211 56.400 -0.264 0.000 0.876 181 E CB 0.630 30.224 29.700 -0.177 0.000 1.009 181 E HN 0.505 nan 8.360 nan 0.000 0.416 182 N N 1.689 120.061 118.700 -0.547 0.000 2.357 182 N HA 0.370 5.126 4.740 0.027 0.000 0.284 182 N C -0.815 174.448 175.510 -0.411 0.000 1.236 182 N CA -0.661 52.061 53.050 -0.547 0.000 0.774 182 N CB 2.728 40.683 38.487 -0.887 0.000 1.534 182 N HN 0.195 nan 8.380 nan 0.000 0.478 183 R N 1.460 121.883 120.500 -0.128 0.000 2.513 183 R HA 0.503 4.859 4.340 0.027 0.000 0.301 183 R C -1.102 175.274 176.300 0.127 0.000 0.968 183 R CA -0.470 55.640 56.100 0.016 0.000 0.872 183 R CB 1.009 31.276 30.300 -0.056 0.000 1.177 183 R HN 0.479 nan 8.270 nan 0.000 0.444 184 L N 2.880 124.221 121.223 0.197 0.000 2.343 184 L HA 0.745 5.102 4.340 0.027 0.000 0.275 184 L C -0.217 176.700 176.870 0.078 0.000 1.056 184 L CA -0.869 54.074 54.840 0.171 0.000 0.804 184 L CB 1.901 44.053 42.059 0.155 0.000 1.203 184 L HN 0.717 nan 8.230 nan 0.000 0.440 185 A N 2.658 125.536 122.820 0.095 0.000 2.353 185 A HA 0.746 5.082 4.320 0.027 0.000 0.299 185 A C -1.107 176.736 177.584 0.432 0.000 1.089 185 A CA -0.447 51.542 52.037 -0.079 0.000 0.736 185 A CB 1.566 20.026 19.000 -0.901 0.000 1.195 185 A HN 0.365 nan 8.150 nan 0.000 0.447 186 V N 3.385 123.730 119.914 0.719 0.000 2.444 186 V HA 0.487 4.623 4.120 0.027 0.000 0.294 186 V C -0.108 176.526 176.094 0.900 0.000 1.022 186 V CA -0.286 62.449 62.300 0.725 0.000 0.850 186 V CB 1.536 33.604 31.823 0.408 0.000 0.992 186 V HN 0.961 nan 8.190 nan 0.000 0.426 187 M N 6.047 126.193 119.600 0.910 0.000 2.066 187 M HA 0.574 5.071 4.480 0.027 0.000 0.340 187 M C -1.450 175.116 176.300 0.443 0.000 1.053 187 M CA -0.396 55.259 55.300 0.592 0.000 0.983 187 M CB 1.153 34.115 32.600 0.603 0.000 1.520 187 M HN 0.478 nan 8.290 nan 0.000 0.428 188 V N 6.733 126.863 119.914 0.360 0.000 2.394 188 V HA 0.399 4.536 4.120 0.027 0.000 0.282 188 V C -0.080 176.184 176.094 0.283 0.000 1.031 188 V CA -0.687 61.832 62.300 0.365 0.000 0.881 188 V CB 1.409 33.538 31.823 0.511 0.000 0.982 188 V HN 0.802 nan 8.190 nan 0.000 0.451 189 L N 4.857 126.179 121.223 0.165 0.000 2.292 189 L HA 0.510 4.867 4.340 0.027 0.000 0.284 189 L C 1.546 178.434 176.870 0.031 0.000 1.065 189 L CA -0.376 54.484 54.840 0.033 0.000 0.806 189 L CB 1.272 43.274 42.059 -0.095 0.000 1.175 189 L HN 0.656 nan 8.230 nan 0.000 0.431 190 R N 2.721 123.185 120.500 -0.061 0.000 2.075 190 R HA -0.038 4.318 4.340 0.027 0.000 0.232 190 R C -0.370 175.591 176.300 -0.565 0.000 1.126 190 R CA 1.204 57.019 56.100 -0.475 0.000 0.963 190 R CB 0.243 30.106 30.300 -0.729 0.000 0.858 190 R HN 0.564 nan 8.270 nan 0.000 0.435 191 W N 0.018 121.378 121.300 0.099 0.000 2.689 191 W HA 0.430 5.106 4.660 0.027 0.000 0.340 191 W C -0.386 176.246 176.519 0.188 0.000 1.060 191 W CA -0.754 56.658 57.345 0.112 0.000 1.218 191 W CB 1.839 31.366 29.460 0.111 0.000 1.410 191 W HN 0.010 nan 8.180 nan 0.000 0.528 192 S N -1.125 114.860 115.700 0.476 0.000 2.661 192 S HA 0.144 4.630 4.470 0.027 0.000 0.268 192 S C 0.314 175.172 174.600 0.430 0.000 1.162 192 S CA -0.544 57.950 58.200 0.491 0.000 0.817 192 S CB 1.223 64.688 63.200 0.441 0.000 1.141 192 S HN 0.679 nan 8.310 nan 0.000 0.477 193 D N 0.286 120.945 120.400 0.432 0.000 2.309 193 D HA -0.037 4.620 4.640 0.027 0.000 0.212 193 D C 1.661 178.287 176.300 0.543 0.000 0.968 193 D CA 1.257 55.572 54.000 0.526 0.000 0.882 193 D CB -0.836 40.136 40.800 0.288 0.000 0.918 193 D HN 0.734 nan 8.370 nan 0.000 0.503 194 G N 0.728 109.756 108.800 0.379 0.000 2.471 194 G HA2 -0.202 3.774 3.960 0.027 0.000 0.219 194 G HA3 -0.202 3.774 3.960 0.027 0.000 0.219 194 G C 1.732 176.824 174.900 0.319 0.000 1.125 194 G CA 0.509 45.807 45.100 0.331 0.000 0.775 194 G HN 0.271 nan 8.290 nan 0.000 0.548 195 S N -0.155 115.721 115.700 0.293 0.000 2.442 195 S HA -0.079 4.407 4.470 0.027 0.000 0.236 195 S C 1.844 176.553 174.600 0.181 0.000 1.007 195 S CA 0.528 58.870 58.200 0.237 0.000 0.965 195 S CB -0.378 62.981 63.200 0.265 0.000 0.773 195 S HN 0.556 nan 8.310 nan 0.000 0.504 196 Y N 1.204 121.649 120.300 0.243 0.000 2.421 196 Y HA 0.067 4.633 4.550 0.027 0.000 0.292 196 Y C 1.611 177.638 175.900 0.211 0.000 1.136 196 Y CA 0.679 58.851 58.100 0.120 0.000 1.255 196 Y CB -0.172 38.226 38.460 -0.103 0.000 0.991 196 Y HN 0.200 nan 8.280 nan 0.000 0.552 197 L N -0.353 121.078 121.223 0.347 0.000 2.628 197 L HA 0.111 4.467 4.340 0.027 0.000 0.229 197 L C 0.054 177.070 176.870 0.244 0.000 1.137 197 L CA 0.435 55.434 54.840 0.264 0.000 0.909 197 L CB 0.088 42.309 42.059 0.270 0.000 1.137 197 L HN 0.131 nan 8.230 nan 0.000 0.470 198 E N -0.093 120.262 120.200 0.258 0.000 3.846 198 E HA 0.040 4.407 4.350 0.027 0.000 0.216 198 E C -0.500 176.209 176.600 0.180 0.000 1.092 198 E CA -0.063 56.470 56.400 0.222 0.000 1.370 198 E CB 0.506 30.329 29.700 0.205 0.000 1.227 198 E HN 0.028 nan 8.360 nan 0.000 0.442 199 D N 1.128 121.589 120.400 0.102 0.000 2.538 199 D HA 0.025 4.681 4.640 0.027 0.000 0.234 199 D C -0.155 176.142 176.300 -0.005 0.000 1.191 199 D CA -0.071 53.876 54.000 -0.089 0.000 0.828 199 D CB 0.154 40.640 40.800 -0.523 0.000 0.981 199 D HN 0.063 nan 8.370 nan 0.000 0.490 200 Q N 0.406 120.296 119.800 0.150 0.000 2.432 200 Q HA 0.110 4.466 4.340 0.027 0.000 0.264 200 Q C -0.086 176.034 176.000 0.199 0.000 1.035 200 Q CA 0.117 56.078 55.803 0.262 0.000 0.908 200 Q CB 0.535 29.588 28.738 0.524 0.000 1.280 200 Q HN 0.050 nan 8.270 nan 0.000 0.455 201 D N 2.744 123.287 120.400 0.238 0.000 2.441 201 D HA 0.175 4.832 4.640 0.027 0.000 0.243 201 D C -0.814 175.629 176.300 0.238 0.000 1.257 201 D CA 0.148 54.262 54.000 0.190 0.000 1.027 201 D CB -0.462 40.445 40.800 0.178 0.000 1.084 201 D HN 0.488 nan 8.370 nan 0.000 0.514 202 M N 0.407 120.120 119.600 0.189 0.000 2.895 202 M HA 0.371 4.867 4.480 0.027 0.000 0.271 202 M C -1.323 175.079 176.300 0.171 0.000 1.174 202 M CA -1.153 54.193 55.300 0.078 0.000 0.816 202 M CB 1.030 33.606 32.600 -0.040 0.000 1.647 202 M HN -0.095 nan 8.290 nan 0.000 0.506 203 W N 2.050 123.443 121.300 0.155 0.000 2.257 203 W HA 0.280 4.957 4.660 0.028 0.000 0.337 203 W C 0.283 176.827 176.519 0.043 0.000 1.321 203 W CA -0.029 57.400 57.345 0.139 0.000 1.267 203 W CB 0.362 29.843 29.460 0.035 0.000 1.187 203 W HN 0.305 nan 8.180 nan 0.000 0.565 204 R N 4.925 125.615 120.500 0.316 0.000 2.204 204 R HA 0.412 4.769 4.340 0.027 0.000 0.341 204 R C -0.092 176.219 176.300 0.019 0.000 1.035 204 R CA -0.216 55.981 56.100 0.162 0.000 0.887 204 R CB 0.175 30.643 30.300 0.280 0.000 1.114 204 R HN 0.552 nan 8.270 nan 0.000 0.473 205 M N 0.265 119.761 119.600 -0.173 0.000 2.739 205 M HA 0.530 5.026 4.480 0.027 0.000 0.284 205 M C -0.019 175.926 176.300 -0.591 0.000 1.103 205 M CA -0.810 54.266 55.300 -0.374 0.000 0.809 205 M CB 2.226 34.605 32.600 -0.368 0.000 1.708 205 M HN 0.651 nan 8.290 nan 0.000 0.481 206 S N -1.283 113.936 115.700 -0.802 0.000 2.636 206 S HA 0.929 5.415 4.470 0.027 0.000 0.266 206 S C -0.638 173.472 174.600 -0.817 0.000 1.147 206 S CA -0.214 57.453 58.200 -0.888 0.000 0.815 206 S CB 1.702 64.158 63.200 -1.240 0.000 1.119 206 S HN 1.459 nan 8.310 nan 0.000 0.470 207 G N -0.179 108.383 108.800 -0.398 0.000 2.343 207 G HA2 0.217 4.194 3.960 0.027 0.000 0.465 207 G HA3 0.217 4.194 3.960 0.027 0.000 0.465 207 G C -1.564 173.364 174.900 0.046 0.000 1.282 207 G CA -0.627 44.531 45.100 0.096 0.000 0.996 207 G HN 1.152 nan 8.290 nan 0.000 0.521 208 I N 1.985 122.433 120.570 -0.204 0.000 2.276 208 I HA 0.297 4.483 4.170 0.027 0.000 0.290 208 I C 1.070 177.035 176.117 -0.255 0.000 1.109 208 I CA -0.314 60.743 61.300 -0.404 0.000 1.229 208 I CB -0.001 37.482 38.000 -0.861 0.000 1.452 208 I HN 0.530 nan 8.210 nan 0.000 0.497 209 F N 4.453 124.255 119.950 -0.246 0.000 2.695 209 F HA 0.462 5.005 4.527 0.027 0.000 0.303 209 F C 0.680 176.403 175.800 -0.128 0.000 1.091 209 F CA -0.525 57.364 58.000 -0.184 0.000 1.300 209 F CB 0.137 39.032 39.000 -0.175 0.000 1.071 209 F HN 0.118 nan 8.300 nan 0.000 0.578 210 R N 0.666 120.660 120.500 -0.843 0.000 2.939 210 R HA 0.252 4.609 4.340 0.027 0.000 0.254 210 R C -0.707 175.371 176.300 -0.370 0.000 1.123 210 R CA -1.152 54.605 56.100 -0.572 0.000 1.020 210 R CB 0.711 30.619 30.300 -0.654 0.000 1.206 210 R HN -0.022 nan 8.270 nan 0.000 0.491 211 D N 0.748 120.980 120.400 -0.280 0.000 2.419 211 D HA 0.095 4.751 4.640 0.027 0.000 0.236 211 D C -0.415 175.743 176.300 -0.237 0.000 1.165 211 D CA 0.387 54.264 54.000 -0.205 0.000 0.882 211 D CB 0.771 41.487 40.800 -0.140 0.000 1.201 211 D HN -0.009 nan 8.370 nan 0.000 0.443 212 V N 1.197 120.982 119.914 -0.216 0.000 2.495 212 V HA 0.529 4.666 4.120 0.027 0.000 0.298 212 V C 0.023 175.996 176.094 -0.202 0.000 1.031 212 V CA -0.496 61.618 62.300 -0.309 0.000 0.871 212 V CB 1.864 33.510 31.823 -0.295 0.000 0.988 212 V HN 0.561 nan 8.190 nan 0.000 0.432 213 S N 4.176 119.737 115.700 -0.231 0.000 2.651 213 S HA 0.805 5.291 4.470 0.027 0.000 0.279 213 S C -1.094 173.452 174.600 -0.090 0.000 1.148 213 S CA -0.759 57.373 58.200 -0.114 0.000 0.837 213 S CB 2.035 65.205 63.200 -0.050 0.000 1.138 213 S HN 0.505 nan 8.310 nan 0.000 0.478 214 L N 1.754 122.991 121.223 0.023 0.000 2.386 214 L HA 0.683 5.039 4.340 0.027 0.000 0.271 214 L C -1.568 175.487 176.870 0.308 0.000 0.993 214 L CA -0.817 54.110 54.840 0.145 0.000 0.819 214 L CB 1.810 43.968 42.059 0.165 0.000 1.294 214 L HN 0.495 nan 8.230 nan 0.000 0.414 215 L N 3.039 124.431 121.223 0.281 0.000 2.385 215 L HA 0.483 4.839 4.340 0.027 0.000 0.273 215 L C -0.849 176.051 176.870 0.049 0.000 0.990 215 L CA -0.129 54.811 54.840 0.167 0.000 0.821 215 L CB 1.536 43.649 42.059 0.091 0.000 1.279 215 L HN 0.495 nan 8.230 nan 0.000 0.412 216 H N 5.145 123.988 119.070 -0.378 0.000 2.467 216 H HA 0.506 5.079 4.556 0.028 0.000 0.326 216 H C -1.255 173.867 175.328 -0.343 0.000 1.094 216 H CA -0.574 55.148 56.048 -0.543 0.000 1.253 216 H CB 1.238 30.195 29.762 -1.343 0.000 1.439 216 H HN 0.529 nan 8.280 nan 0.000 0.479 217 K N 5.310 125.328 120.400 -0.637 0.000 2.375 217 K HA 0.367 4.704 4.320 0.027 0.000 0.249 217 K C -2.714 173.618 176.600 -0.448 0.000 0.942 217 K CA -2.047 54.004 56.287 -0.392 0.000 0.806 217 K CB 2.164 34.508 32.500 -0.261 0.000 1.227 217 K HN 0.479 nan 8.250 nan 0.000 0.430 218 P HA 0.140 nan 4.420 nan 0.000 0.274 218 P C 0.563 177.783 177.300 -0.133 0.000 1.246 218 P CA -0.158 62.867 63.100 -0.125 0.000 0.795 218 P CB 0.477 32.150 31.700 -0.046 0.000 1.006 219 T N -1.112 113.393 114.554 -0.083 0.000 2.746 219 T HA -0.057 4.310 4.350 0.027 0.000 0.267 219 T C 0.589 175.248 174.700 -0.069 0.000 1.039 219 T CA 1.595 63.654 62.100 -0.068 0.000 1.142 219 T CB -0.646 68.201 68.868 -0.035 0.000 0.866 219 T HN 0.437 nan 8.240 nan 0.000 0.444 220 T N 3.718 118.239 114.554 -0.056 0.000 2.728 220 T HA 0.459 4.826 4.350 0.027 0.000 0.296 220 T C -0.221 174.437 174.700 -0.070 0.000 0.940 220 T CA -0.568 61.492 62.100 -0.067 0.000 1.013 220 T CB 0.591 69.434 68.868 -0.042 0.000 0.912 220 T HN 0.491 nan 8.240 nan 0.000 0.484 221 Q N 2.336 122.080 119.800 -0.093 0.000 2.534 221 Q HA 0.594 4.951 4.340 0.027 0.000 0.290 221 Q C -1.381 174.558 176.000 -0.101 0.000 0.991 221 Q CA -1.132 54.605 55.803 -0.110 0.000 0.783 221 Q CB 1.249 29.897 28.738 -0.150 0.000 1.470 221 Q HN 0.461 nan 8.270 nan 0.000 0.406 222 I N 2.461 122.940 120.570 -0.151 0.000 2.396 222 I HA 0.060 4.246 4.170 0.027 0.000 0.289 222 I C 0.759 176.767 176.117 -0.181 0.000 1.056 222 I CA 0.018 61.248 61.300 -0.118 0.000 1.365 222 I CB 1.239 39.122 38.000 -0.195 0.000 1.407 222 I HN 0.906 nan 8.210 nan 0.000 0.509 223 S N 2.622 118.336 115.700 0.023 0.000 2.505 223 S HA 0.226 4.712 4.470 0.027 0.000 0.216 223 S C 0.182 175.009 174.600 0.379 0.000 1.018 223 S CA -0.249 58.041 58.200 0.150 0.000 0.911 223 S CB 0.344 63.589 63.200 0.074 0.000 0.818 223 S HN 0.690 nan 8.310 nan 0.000 0.497 224 D N -0.209 120.399 120.400 0.347 0.000 2.685 224 D HA 0.525 5.182 4.640 0.027 0.000 0.236 224 D C -1.925 174.552 176.300 0.295 0.000 1.233 224 D CA -0.661 53.538 54.000 0.332 0.000 0.760 224 D CB 1.811 42.698 40.800 0.144 0.000 1.410 224 D HN 0.226 nan 8.370 nan 0.000 0.439 225 F N -0.479 119.518 119.950 0.079 0.000 2.635 225 F HA 0.613 5.157 4.527 0.028 0.000 0.314 225 F C -1.562 174.284 175.800 0.075 0.000 1.119 225 F CA -0.764 57.213 58.000 -0.038 0.000 1.000 225 F CB 1.229 40.257 39.000 0.045 0.000 1.278 225 F HN 0.235 nan 8.300 nan 0.000 0.446 226 H N 1.987 121.104 119.070 0.078 0.000 2.600 226 H HA 0.742 5.314 4.556 0.028 0.000 0.357 226 H C -1.302 174.057 175.328 0.051 0.000 1.106 226 H CA -1.509 54.521 56.048 -0.031 0.000 1.193 226 H CB 2.651 32.390 29.762 -0.040 0.000 1.594 226 H HN 0.614 nan 8.280 nan 0.000 0.526 227 V N 2.182 122.183 119.914 0.144 0.000 2.417 227 V HA 0.679 4.815 4.120 0.027 0.000 0.291 227 V C -0.138 175.948 176.094 -0.015 0.000 1.024 227 V CA -0.602 61.739 62.300 0.068 0.000 0.861 227 V CB 1.237 33.098 31.823 0.063 0.000 0.985 227 V HN 0.922 nan 8.190 nan 0.000 0.436 228 A N 3.235 126.025 122.820 -0.049 0.000 2.413 228 A HA 0.958 5.295 4.320 0.027 0.000 0.307 228 A C -0.117 177.366 177.584 -0.169 0.000 1.087 228 A CA -0.540 51.447 52.037 -0.083 0.000 0.750 228 A CB 1.989 20.963 19.000 -0.044 0.000 1.296 228 A HN 0.935 nan 8.150 nan 0.000 0.423 229 T N -0.453 113.986 114.554 -0.192 0.000 2.847 229 T HA 0.679 5.045 4.350 0.027 0.000 0.291 229 T C -0.461 174.036 174.700 -0.339 0.000 0.998 229 T CA -0.800 61.097 62.100 -0.339 0.000 0.967 229 T CB 0.877 69.456 68.868 -0.481 0.000 0.954 229 T HN 0.979 nan 8.240 nan 0.000 0.441 230 R N 2.055 122.286 120.500 -0.448 0.000 2.711 230 R HA 0.836 5.192 4.340 0.027 0.000 0.284 230 R C -1.637 174.314 176.300 -0.582 0.000 0.968 230 R CA -0.927 54.982 56.100 -0.319 0.000 0.924 230 R CB 1.275 31.503 30.300 -0.120 0.000 1.162 230 R HN 0.471 nan 8.270 nan 0.000 0.465 231 F N 0.533 120.460 119.950 -0.039 0.000 2.611 231 F HA 0.358 4.901 4.527 0.026 0.000 0.324 231 F C 0.302 175.963 175.800 -0.231 0.000 1.061 231 F CA -1.004 56.916 58.000 -0.133 0.000 0.954 231 F CB 1.471 40.289 39.000 -0.302 0.000 1.301 231 F HN 0.711 nan 8.300 nan 0.000 0.482 232 N N -0.082 118.593 118.700 -0.041 0.000 2.366 232 N HA 0.055 4.811 4.740 0.027 0.000 0.277 232 N C 0.370 175.733 175.510 -0.245 0.000 1.275 232 N CA -0.163 52.827 53.050 -0.100 0.000 0.964 232 N CB 0.037 38.495 38.487 -0.048 0.000 1.167 232 N HN 0.645 nan 8.380 nan 0.000 0.568 233 D N -1.573 118.735 120.400 -0.154 0.000 2.218 233 D HA -0.204 4.453 4.640 0.027 0.000 0.204 233 D C 0.371 176.591 176.300 -0.133 0.000 0.976 233 D CA 1.311 55.221 54.000 -0.150 0.000 0.853 233 D CB -0.506 40.267 40.800 -0.045 0.000 0.939 233 D HN 0.730 nan 8.370 nan 0.000 0.481 234 D N -1.378 118.988 120.400 -0.057 0.000 2.402 234 D HA 0.008 4.664 4.640 0.027 0.000 0.216 234 D C 0.126 176.576 176.300 0.249 0.000 1.128 234 D CA -0.866 53.203 54.000 0.116 0.000 0.833 234 D CB -0.867 40.002 40.800 0.114 0.000 0.971 234 D HN 0.193 nan 8.370 nan 0.000 0.503 235 F N 0.299 120.305 119.950 0.095 0.000 2.953 235 F HA -0.284 4.258 4.527 0.025 0.000 0.292 235 F C 1.598 177.480 175.800 0.137 0.000 0.747 235 F CA 0.801 58.869 58.000 0.113 0.000 1.222 235 F CB -2.501 36.453 39.000 -0.077 0.000 1.457 235 F HN 0.202 nan 8.300 nan 0.000 0.383 236 S N -1.082 114.727 115.700 0.182 0.000 2.548 236 S HA 0.307 4.794 4.470 0.027 0.000 0.215 236 S C 0.608 175.261 174.600 0.089 0.000 0.976 236 S CA -0.043 58.233 58.200 0.127 0.000 0.908 236 S CB 0.393 63.643 63.200 0.083 0.000 0.781 236 S HN 0.451 nan 8.310 nan 0.000 0.519 237 R N 0.164 120.721 120.500 0.095 0.000 2.651 237 R HA 0.802 5.159 4.340 0.027 0.000 0.278 237 R C -1.262 175.057 176.300 0.032 0.000 1.010 237 R CA -0.344 55.775 56.100 0.032 0.000 0.896 237 R CB 2.214 32.513 30.300 -0.001 0.000 1.211 237 R HN 0.241 nan 8.270 nan 0.000 0.456 238 A N 1.633 124.411 122.820 -0.069 0.000 2.527 238 A HA 0.791 5.127 4.320 0.027 0.000 0.293 238 A C -1.309 176.184 177.584 -0.151 0.000 1.117 238 A CA -0.694 51.213 52.037 -0.218 0.000 0.723 238 A CB 2.070 20.904 19.000 -0.276 0.000 1.313 238 A HN 0.338 nan 8.150 nan 0.000 0.411 239 V N 1.226 121.030 119.914 -0.184 0.000 2.531 239 V HA 0.422 4.558 4.120 0.027 0.000 0.301 239 V C -0.606 175.423 176.094 -0.107 0.000 1.034 239 V CA -0.354 61.882 62.300 -0.106 0.000 0.865 239 V CB 1.459 33.222 31.823 -0.101 0.000 0.995 239 V HN 0.798 nan 8.190 nan 0.000 0.424 240 L N 4.578 125.778 121.223 -0.038 0.000 2.265 240 L HA 0.603 4.959 4.340 0.027 0.000 0.288 240 L C -0.039 176.794 176.870 -0.062 0.000 1.058 240 L CA 0.065 54.863 54.840 -0.071 0.000 0.809 240 L CB 0.971 43.023 42.059 -0.011 0.000 1.179 240 L HN 0.757 nan 8.230 nan 0.000 0.429 241 E N 4.141 124.299 120.200 -0.069 0.000 2.165 241 E HA 0.646 5.012 4.350 0.027 0.000 0.266 241 E C -1.302 175.290 176.600 -0.013 0.000 0.889 241 E CA -0.689 55.688 56.400 -0.039 0.000 0.756 241 E CB 1.724 31.401 29.700 -0.037 0.000 1.131 241 E HN 0.707 nan 8.360 nan 0.000 0.411 242 A N 4.562 127.382 122.820 0.001 0.000 2.310 242 A HA 0.303 4.639 4.320 0.027 0.000 0.304 242 A C -0.669 176.926 177.584 0.018 0.000 1.231 242 A CA -0.641 51.419 52.037 0.039 0.000 0.799 242 A CB 0.955 19.980 19.000 0.041 0.000 1.162 242 A HN 0.707 nan 8.150 nan 0.000 0.486 243 E N 2.655 122.866 120.200 0.018 0.000 2.200 243 E HA 0.525 4.892 4.350 0.027 0.000 0.283 243 E C -1.315 175.249 176.600 -0.061 0.000 1.015 243 E CA -0.345 56.027 56.400 -0.047 0.000 0.819 243 E CB 1.093 30.738 29.700 -0.092 0.000 1.081 243 E HN 0.373 nan 8.360 nan 0.000 0.397 244 V N 4.978 124.877 119.914 -0.025 0.000 2.540 244 V HA 0.282 4.418 4.120 0.027 0.000 0.302 244 V C -0.385 175.774 176.094 0.108 0.000 1.035 244 V CA -0.788 61.541 62.300 0.048 0.000 0.873 244 V CB 1.631 33.461 31.823 0.012 0.000 0.992 244 V HN 0.740 nan 8.190 nan 0.000 0.428 245 Q N 4.203 124.067 119.800 0.108 0.000 2.345 245 Q HA 0.828 5.184 4.340 0.027 0.000 0.268 245 Q C -0.677 175.389 176.000 0.110 0.000 1.054 245 Q CA -0.856 55.007 55.803 0.100 0.000 0.835 245 Q CB 2.712 31.451 28.738 0.002 0.000 1.339 245 Q HN 0.829 nan 8.270 nan 0.000 0.447 249 E N 0.405 120.542 120.200 -0.105 0.000 2.167 249 E HA 0.413 4.780 4.350 0.027 0.000 0.284 249 E C -0.234 176.262 176.600 -0.174 0.000 1.016 249 E CA -0.427 55.903 56.400 -0.116 0.000 0.817 249 E CB 0.687 30.343 29.700 -0.072 0.000 1.080 249 E HN 0.346 nan 8.360 nan 0.000 0.397 250 L N 5.005 126.111 121.223 -0.195 0.000 2.416 250 L HA 0.248 4.604 4.340 0.027 0.000 0.272 250 L C 0.557 177.287 176.870 -0.233 0.000 1.161 250 L CA 0.138 54.834 54.840 -0.240 0.000 0.845 250 L CB 0.374 42.315 42.059 -0.196 0.000 1.119 250 L HN 0.452 nan 8.230 nan 0.000 0.464 251 R N 1.764 122.069 120.500 -0.324 0.000 2.725 251 R HA 0.191 4.547 4.340 0.027 0.000 0.277 251 R C -0.262 175.796 176.300 -0.404 0.000 0.987 251 R CA -0.806 55.018 56.100 -0.460 0.000 0.901 251 R CB 1.741 31.456 30.300 -0.975 0.000 1.207 251 R HN 0.527 nan 8.270 nan 0.000 0.463 252 D N 1.024 121.279 120.400 -0.241 0.000 2.263 252 D HA -0.138 4.518 4.640 0.027 0.000 0.208 252 D C 1.425 177.686 176.300 -0.065 0.000 0.971 252 D CA 1.523 55.464 54.000 -0.099 0.000 0.867 252 D CB 0.092 40.886 40.800 -0.011 0.000 0.929 252 D HN 0.570 nan 8.370 nan 0.000 0.492 253 Y N -0.204 120.107 120.300 0.018 0.000 2.529 253 Y HA 0.283 4.850 4.550 0.028 0.000 0.290 253 Y C 0.689 176.589 175.900 -0.000 0.000 1.177 253 Y CA -0.492 57.614 58.100 0.010 0.000 1.305 253 Y CB -0.901 37.567 38.460 0.012 0.000 1.047 253 Y HN -0.200 nan 8.280 nan 0.000 0.522 254 L N 2.462 123.611 121.223 -0.124 0.000 2.436 254 L HA 0.375 4.732 4.340 0.027 0.000 0.265 254 L C 0.236 177.075 176.870 -0.052 0.000 1.168 254 L CA -0.282 54.556 54.840 -0.003 0.000 0.815 254 L CB 0.564 42.671 42.059 0.080 0.000 1.109 254 L HN 0.156 nan 8.230 nan 0.000 0.462 255 R N 1.535 121.892 120.500 -0.240 0.000 2.774 255 R HA 0.658 5.015 4.340 0.027 0.000 0.272 255 R C -1.528 174.414 176.300 -0.596 0.000 1.000 255 R CA -0.805 55.016 56.100 -0.465 0.000 0.906 255 R CB 2.185 32.081 30.300 -0.673 0.000 1.227 255 R HN 0.267 nan 8.270 nan 0.000 0.468 256 V N 1.059 120.675 119.914 -0.496 0.000 2.540 256 V HA 0.489 4.625 4.120 0.027 0.000 0.302 256 V C -0.274 175.772 176.094 -0.079 0.000 1.035 256 V CA -0.522 61.590 62.300 -0.314 0.000 0.873 256 V CB 2.253 33.813 31.823 -0.437 0.000 0.992 256 V HN 0.715 nan 8.190 nan 0.000 0.428 257 T N 4.072 118.687 114.554 0.102 0.000 2.792 257 T HA 0.597 4.963 4.350 0.027 0.000 0.280 257 T C -0.587 174.123 174.700 0.016 0.000 0.990 257 T CA -0.354 61.806 62.100 0.101 0.000 0.960 257 T CB 1.605 70.553 68.868 0.133 0.000 0.939 257 T HN 0.338 nan 8.240 nan 0.000 0.439 258 V N 3.920 123.826 119.914 -0.012 0.000 2.448 258 V HA 0.682 4.819 4.120 0.027 0.000 0.295 258 V C 0.011 176.104 176.094 -0.001 0.000 1.025 258 V CA -0.750 61.540 62.300 -0.017 0.000 0.859 258 V CB 1.633 33.438 31.823 -0.032 0.000 0.988 258 V HN 1.048 nan 8.190 nan 0.000 0.431 259 S N 5.291 121.013 115.700 0.037 0.000 2.542 259 S HA 0.869 5.356 4.470 0.027 0.000 0.293 259 S C -1.134 173.499 174.600 0.054 0.000 1.089 259 S CA -0.772 57.433 58.200 0.009 0.000 0.961 259 S CB 2.155 65.385 63.200 0.050 0.000 1.062 259 S HN 0.563 nan 8.310 nan 0.000 0.483 260 L N 2.243 123.409 121.223 -0.094 0.000 2.362 260 L HA 0.820 5.177 4.340 0.027 0.000 0.275 260 L C -1.981 174.819 176.870 -0.116 0.000 0.998 260 L CA -0.269 54.604 54.840 0.054 0.000 0.820 260 L CB 1.076 43.188 42.059 0.090 0.000 1.270 260 L HN 0.905 nan 8.230 nan 0.000 0.415 261 W N 3.620 125.024 121.300 0.173 0.000 2.761 261 W HA 0.609 5.285 4.660 0.027 0.000 0.340 261 W C -0.573 176.016 176.519 0.117 0.000 1.072 261 W CA -0.460 56.954 57.345 0.116 0.000 1.215 261 W CB 1.485 30.966 29.460 0.035 0.000 1.420 261 W HN 0.305 nan 8.180 nan 0.000 0.519 262 Q N 2.228 122.156 119.800 0.213 0.000 2.401 262 Q HA 0.438 4.794 4.340 0.027 0.000 0.260 262 Q C 0.604 176.616 176.000 0.021 0.000 1.034 262 Q CA 0.511 56.257 55.803 -0.095 0.000 0.737 262 Q CB 1.189 29.745 28.738 -0.304 0.000 1.227 262 Q HN 0.808 nan 8.270 nan 0.000 0.488 263 G N 4.347 113.163 108.800 0.027 0.000 2.591 263 G HA2 -0.335 3.641 3.960 0.027 0.000 0.298 263 G HA3 -0.335 3.641 3.960 0.027 0.000 0.298 263 G C 0.455 175.428 174.900 0.122 0.000 1.195 263 G CA 0.450 45.572 45.100 0.037 0.000 0.989 263 G HN 0.659 nan 8.290 nan 0.000 0.551 264 E N 1.057 121.325 120.200 0.114 0.000 2.478 264 E HA 0.107 4.473 4.350 0.027 0.000 0.194 264 E C 0.797 177.606 176.600 0.349 0.000 1.045 264 E CA 0.846 57.351 56.400 0.176 0.000 0.868 264 E CB 0.100 29.847 29.700 0.079 0.000 0.885 264 E HN 0.399 nan 8.360 nan 0.000 0.505 265 T N 1.818 116.534 114.554 0.270 0.000 2.806 265 T HA 0.137 4.503 4.350 0.027 0.000 0.290 265 T C 0.008 174.732 174.700 0.040 0.000 0.966 265 T CA -0.302 61.888 62.100 0.149 0.000 1.060 265 T CB 1.780 70.681 68.868 0.055 0.000 0.927 265 T HN -0.014 nan 8.240 nan 0.000 0.485 266 Q N 2.951 122.549 119.800 -0.336 0.000 2.296 266 Q HA 0.309 4.666 4.340 0.027 0.000 0.257 266 Q C 0.274 176.014 176.000 -0.433 0.000 0.942 266 Q CA -0.367 54.882 55.803 -0.923 0.000 0.939 266 Q CB 0.917 28.855 28.738 -1.333 0.000 1.198 266 Q HN 0.524 nan 8.270 nan 0.000 0.429 267 V N 2.839 122.570 119.914 -0.305 0.000 2.825 267 V HA 0.255 4.391 4.120 0.027 0.000 0.246 267 V C 0.239 176.243 176.094 -0.150 0.000 1.068 267 V CA 1.325 63.547 62.300 -0.130 0.000 1.088 267 V CB 0.518 32.361 31.823 0.033 0.000 0.733 267 V HN 0.810 nan 8.190 nan 0.000 0.468 268 A N -1.389 121.310 122.820 -0.201 0.000 2.601 268 A HA 0.782 5.118 4.320 0.027 0.000 0.291 268 A C -0.795 176.687 177.584 -0.170 0.000 1.075 268 A CA 0.080 52.026 52.037 -0.151 0.000 0.671 268 A CB 1.876 20.823 19.000 -0.089 0.000 1.277 268 A HN 0.073 nan 8.150 nan 0.000 0.417 269 S N -1.149 114.479 115.700 -0.120 0.000 2.547 269 S HA 0.807 5.293 4.470 0.027 0.000 0.270 269 S C -0.611 173.952 174.600 -0.062 0.000 1.150 269 S CA 0.248 58.389 58.200 -0.098 0.000 0.850 269 S CB 1.645 64.776 63.200 -0.115 0.000 1.118 269 S HN 2.411 nan 8.310 nan 0.000 0.461 270 G N 1.393 110.168 108.800 -0.043 0.000 2.733 270 G HA2 0.648 4.625 3.960 0.027 0.000 0.297 270 G HA3 0.648 4.625 3.960 0.027 0.000 0.297 270 G C -1.451 173.435 174.900 -0.022 0.000 1.422 270 G CA -0.417 44.662 45.100 -0.035 0.000 0.942 270 G HN 0.741 nan 8.290 nan 0.000 0.510 271 T N -0.281 114.262 114.554 -0.018 0.000 2.900 271 T HA 0.868 5.235 4.350 0.027 0.000 0.295 271 T C -0.340 174.330 174.700 -0.050 0.000 1.044 271 T CA -0.003 62.093 62.100 -0.008 0.000 0.995 271 T CB 1.856 70.756 68.868 0.054 0.000 1.072 271 T HN 1.620 nan 8.240 nan 0.000 0.473 272 A N 3.101 125.858 122.820 -0.106 0.000 2.612 272 A HA 0.913 5.250 4.320 0.027 0.000 0.293 272 A C -3.103 174.354 177.584 -0.212 0.000 1.075 272 A CA -1.575 50.384 52.037 -0.130 0.000 0.680 272 A CB 1.274 20.192 19.000 -0.135 0.000 1.279 272 A HN 0.540 nan 8.150 nan 0.000 0.411 273 P HA 0.520 nan 4.420 nan 0.000 0.278 273 P C -0.555 176.625 177.300 -0.200 0.000 1.258 273 P CA -0.260 62.747 63.100 -0.156 0.000 0.811 273 P CB 0.383 32.055 31.700 -0.046 0.000 1.063 274 F N -0.026 119.882 119.950 -0.069 0.000 2.490 274 F HA 0.452 4.995 4.527 0.027 0.000 0.336 274 F C 1.505 177.286 175.800 -0.031 0.000 1.178 274 F CA 1.615 59.585 58.000 -0.050 0.000 1.301 274 F CB 0.202 39.166 39.000 -0.060 0.000 1.175 274 F HN 0.594 nan 8.300 nan 0.000 0.593 275 G N 1.433 110.365 108.800 0.221 0.000 2.951 275 G HA2 0.346 4.322 3.960 0.027 0.000 0.508 275 G HA3 0.346 4.322 3.960 0.027 0.000 0.508 275 G C -0.537 174.419 174.900 0.094 0.000 1.203 275 G CA -0.756 44.422 45.100 0.129 0.000 1.209 275 G HN 1.029 nan 8.290 nan 0.000 0.552 276 G N 0.832 109.707 108.800 0.124 0.000 2.562 276 G HA2 0.695 4.672 3.960 0.027 0.000 0.275 276 G HA3 0.695 4.672 3.960 0.027 0.000 0.275 276 G C 0.504 175.451 174.900 0.079 0.000 1.196 276 G CA 0.049 45.215 45.100 0.109 0.000 0.908 276 G HN 1.114 nan 8.290 nan 0.000 0.524 277 E N -0.488 119.750 120.200 0.064 0.000 2.425 277 E HA 0.075 4.442 4.350 0.027 0.000 0.258 277 E C -0.210 176.418 176.600 0.047 0.000 1.151 277 E CA -0.416 56.011 56.400 0.044 0.000 0.958 277 E CB 0.772 30.493 29.700 0.035 0.000 0.968 277 E HN 0.298 nan 8.360 nan 0.000 0.451 278 I N 1.775 122.360 120.570 0.025 0.000 2.683 278 I HA -0.139 4.048 4.170 0.027 0.000 0.286 278 I C 0.954 177.084 176.117 0.021 0.000 1.175 278 I CA -0.045 61.262 61.300 0.012 0.000 1.429 278 I CB 0.324 38.325 38.000 0.003 0.000 1.371 278 I HN 0.576 nan 8.210 nan 0.000 0.569 279 I N 3.988 124.565 120.570 0.012 0.000 2.947 279 I HA 0.091 4.277 4.170 0.027 0.000 0.263 279 I C 0.558 176.678 176.117 0.005 0.000 1.130 279 I CA 0.981 62.297 61.300 0.027 0.000 1.448 279 I CB -0.853 37.166 38.000 0.032 0.000 1.222 279 I HN 0.683 nan 8.210 nan 0.000 0.453 280 D N -1.309 119.079 120.400 -0.020 0.000 3.057 280 D HA 0.126 4.782 4.640 0.027 0.000 0.328 280 D C 0.359 176.643 176.300 -0.026 0.000 1.317 280 D CA -0.402 53.587 54.000 -0.018 0.000 0.973 280 D CB 0.497 41.285 40.800 -0.019 0.000 1.424 280 D HN -0.272 nan 8.370 nan 0.000 0.569 281 E N -1.045 119.141 120.200 -0.022 0.000 2.333 281 E HA -0.009 4.357 4.350 0.027 0.000 0.198 281 E C 1.299 177.881 176.600 -0.031 0.000 1.007 281 E CA 0.823 57.209 56.400 -0.022 0.000 0.845 281 E CB -0.032 29.658 29.700 -0.017 0.000 0.766 281 E HN 0.201 nan 8.360 nan 0.000 0.507 282 R N -0.267 120.206 120.500 -0.045 0.000 2.317 282 R HA 0.282 4.639 4.340 0.027 0.000 0.208 282 R C 0.808 177.066 176.300 -0.070 0.000 0.914 282 R CA 0.698 56.764 56.100 -0.057 0.000 1.060 282 R CB 0.470 30.729 30.300 -0.069 0.000 1.015 282 R HN 0.211 nan 8.270 nan 0.000 0.498 283 G N -0.700 108.061 108.800 -0.065 0.000 2.384 283 G HA2 -0.104 3.872 3.960 0.027 0.000 0.200 283 G HA3 -0.104 3.872 3.960 0.027 0.000 0.200 283 G C -0.232 174.616 174.900 -0.087 0.000 1.205 283 G CA -0.620 44.442 45.100 -0.064 0.000 1.116 283 G HN 0.463 nan 8.290 nan 0.000 0.547 284 G N -2.025 106.720 108.800 -0.092 0.000 3.176 284 G HA2 0.646 4.622 3.960 0.027 0.000 0.272 284 G HA3 0.646 4.622 3.960 0.027 0.000 0.272 284 G C -1.532 173.262 174.900 -0.177 0.000 1.349 284 G CA -0.728 44.320 45.100 -0.087 0.000 0.953 284 G HN 0.774 nan 8.290 nan 0.000 0.559 285 Y N 1.044 121.354 120.300 0.017 0.000 2.504 285 Y HA 0.417 4.983 4.550 0.027 0.000 0.351 285 Y C 1.474 177.392 175.900 0.029 0.000 0.988 285 Y CA 0.199 58.310 58.100 0.019 0.000 1.239 285 Y CB 1.643 40.120 38.460 0.028 0.000 1.128 285 Y HN 0.535 nan 8.280 nan 0.000 0.525 286 A N 1.879 124.754 122.820 0.092 0.000 2.121 286 A HA -0.140 4.196 4.320 0.027 0.000 0.218 286 A C 1.342 178.972 177.584 0.077 0.000 1.154 286 A CA 1.415 53.493 52.037 0.068 0.000 0.679 286 A CB -0.276 18.725 19.000 0.002 0.000 0.795 286 A HN 0.787 nan 8.150 nan 0.000 0.458 287 D N -0.902 119.542 120.400 0.073 0.000 2.427 287 D HA 0.155 4.812 4.640 0.027 0.000 0.224 287 D C 0.428 176.779 176.300 0.084 0.000 1.157 287 D CA -0.066 53.888 54.000 -0.077 0.000 0.828 287 D CB -0.015 40.732 40.800 -0.088 0.000 0.974 287 D HN 0.384 nan 8.370 nan 0.000 0.498 288 R N -0.784 119.896 120.500 0.300 0.000 2.836 288 R HA 0.741 5.098 4.340 0.027 0.000 0.269 288 R C -1.621 174.851 176.300 0.287 0.000 1.010 288 R CA -1.127 55.156 56.100 0.305 0.000 0.930 288 R CB 3.037 33.392 30.300 0.092 0.000 1.218 288 R HN -0.017 nan 8.270 nan 0.000 0.473 289 V N 0.268 120.248 119.914 0.110 0.000 3.048 289 V HA 0.533 4.670 4.120 0.027 0.000 0.303 289 V C -1.506 174.556 176.094 -0.053 0.000 1.214 289 V CA -0.282 61.998 62.300 -0.034 0.000 0.984 289 V CB 2.776 34.463 31.823 -0.227 0.000 1.054 289 V HN 0.806 nan 8.190 nan 0.000 0.430 290 T N 7.071 121.597 114.554 -0.045 0.000 2.792 290 T HA 0.594 4.960 4.350 0.027 0.000 0.280 290 T C -0.941 173.729 174.700 -0.050 0.000 0.990 290 T CA -0.391 61.685 62.100 -0.039 0.000 0.960 290 T CB 1.094 69.951 68.868 -0.019 0.000 0.939 290 T HN 0.453 nan 8.240 nan 0.000 0.439 291 L N 3.470 124.663 121.223 -0.051 0.000 2.334 291 L HA 0.600 4.956 4.340 0.027 0.000 0.275 291 L C 0.429 177.276 176.870 -0.038 0.000 1.036 291 L CA -0.469 54.341 54.840 -0.051 0.000 0.807 291 L CB 1.438 43.464 42.059 -0.055 0.000 1.231 291 L HN 0.543 nan 8.230 nan 0.000 0.438 292 R N 3.913 124.390 120.500 -0.037 0.000 2.476 292 R HA 0.658 5.014 4.340 0.027 0.000 0.305 292 R C -1.256 175.022 176.300 -0.037 0.000 0.965 292 R CA -0.708 55.370 56.100 -0.036 0.000 0.867 292 R CB 2.151 32.429 30.300 -0.036 0.000 1.176 292 R HN 0.471 nan 8.270 nan 0.000 0.447 293 L N 2.819 124.021 121.223 -0.034 0.000 2.341 293 L HA 0.445 4.801 4.340 0.027 0.000 0.278 293 L C -0.347 176.502 176.870 -0.036 0.000 1.005 293 L CA -0.963 53.857 54.840 -0.034 0.000 0.818 293 L CB 2.035 44.080 42.059 -0.025 0.000 1.259 293 L HN 0.515 nan 8.230 nan 0.000 0.418 294 N N 1.439 120.111 118.700 -0.046 0.000 2.529 294 N HA 0.484 5.240 4.740 0.027 0.000 0.278 294 N C -1.101 174.365 175.510 -0.072 0.000 1.146 294 N CA -0.343 52.673 53.050 -0.056 0.000 0.980 294 N CB 1.859 40.315 38.487 -0.052 0.000 1.124 294 N HN 0.196 nan 8.380 nan 0.000 0.458 295 V N 1.698 121.550 119.914 -0.103 0.000 2.482 295 V HA 0.261 4.397 4.120 0.027 0.000 0.295 295 V C -0.576 175.428 176.094 -0.149 0.000 1.026 295 V CA -0.844 61.354 62.300 -0.169 0.000 0.856 295 V CB 1.467 33.077 31.823 -0.355 0.000 1.001 295 V HN 0.564 nan 8.190 nan 0.000 0.424 296 E N 2.784 122.924 120.200 -0.099 0.000 2.266 296 E HA 0.350 4.716 4.350 0.027 0.000 0.277 296 E C 0.280 176.851 176.600 -0.048 0.000 1.018 296 E CA -0.489 55.877 56.400 -0.057 0.000 0.840 296 E CB 0.630 30.309 29.700 -0.034 0.000 1.082 296 E HN 0.728 nan 8.360 nan 0.000 0.395 297 N N 0.927 119.620 118.700 -0.012 0.000 2.705 297 N HA -0.150 4.606 4.740 0.027 0.000 0.255 297 N C -2.485 173.022 175.510 -0.006 0.000 1.008 297 N CA 0.215 53.273 53.050 0.014 0.000 0.742 297 N CB -1.062 37.437 38.487 0.021 0.000 0.906 297 N HN 0.310 nan 8.380 nan 0.000 0.541 298 P HA 0.007 nan 4.420 nan 0.000 0.269 298 P C -0.394 176.937 177.300 0.051 0.000 1.209 298 P CA 0.329 63.328 63.100 -0.169 0.000 0.776 298 P CB 0.724 32.136 31.700 -0.480 0.000 0.876 299 K N 2.433 122.958 120.400 0.208 0.000 2.349 299 K HA 0.285 4.622 4.320 0.027 0.000 0.288 299 K C 0.203 176.976 176.600 0.288 0.000 1.058 299 K CA -0.362 56.052 56.287 0.213 0.000 0.953 299 K CB 0.175 32.784 32.500 0.181 0.000 0.997 299 K HN 0.412 nan 8.250 nan 0.000 0.477 300 L N 2.637 123.953 121.223 0.156 0.000 2.395 300 L HA 0.301 4.657 4.340 0.027 0.000 0.269 300 L C -0.055 176.898 176.870 0.138 0.000 1.133 300 L CA -0.780 54.150 54.840 0.150 0.000 0.812 300 L CB 0.473 42.456 42.059 -0.128 0.000 1.125 300 L HN 0.620 nan 8.230 nan 0.000 0.452 301 W N 3.071 124.403 121.300 0.055 0.000 2.376 301 W HA 0.478 5.153 4.660 0.026 0.000 0.322 301 W C -0.007 176.458 176.519 -0.091 0.000 1.160 301 W CA 0.119 57.481 57.345 0.028 0.000 1.218 301 W CB 1.337 30.867 29.460 0.117 0.000 1.205 301 W HN 0.617 nan 8.180 nan 0.000 0.559 302 S N 2.757 117.904 115.700 -0.923 0.000 2.643 302 S HA 0.630 5.116 4.470 0.027 0.000 0.270 302 S C 0.040 173.845 174.600 -1.326 0.000 1.166 302 S CA -0.362 57.334 58.200 -0.839 0.000 0.815 302 S CB 1.061 64.059 63.200 -0.338 0.000 1.139 302 S HN 1.010 nan 8.310 nan 0.000 0.472 303 A N 0.289 122.528 122.820 -0.968 0.000 2.066 303 A HA 0.100 4.436 4.320 0.027 0.000 0.218 303 A C 1.733 179.002 177.584 -0.525 0.000 1.157 303 A CA 1.315 52.798 52.037 -0.923 0.000 0.670 303 A CB -0.886 17.439 19.000 -1.125 0.000 0.804 303 A HN 0.851 nan 8.150 nan 0.000 0.453 304 E N -0.793 119.225 120.200 -0.304 0.000 2.072 304 E HA 0.076 4.442 4.350 0.027 0.000 0.190 304 E C -0.235 176.218 176.600 -0.244 0.000 0.982 304 E CA 0.684 56.959 56.400 -0.209 0.000 0.803 304 E CB 0.061 29.770 29.700 0.014 0.000 0.755 304 E HN 0.573 nan 8.360 nan 0.000 0.453 305 I N 1.810 122.215 120.570 -0.274 0.000 2.560 305 I HA 0.149 4.335 4.170 0.027 0.000 0.278 305 I C -2.484 173.412 176.117 -0.369 0.000 1.089 305 I CA -1.812 59.352 61.300 -0.228 0.000 1.086 305 I CB 2.268 40.186 38.000 -0.137 0.000 1.202 305 I HN -0.203 nan 8.210 nan 0.000 0.471 306 P HA 0.076 nan 4.420 nan 0.000 0.225 306 P C -0.530 176.758 177.300 -0.019 0.000 1.768 306 P CA -0.252 62.532 63.100 -0.525 0.000 0.943 306 P CB -0.284 31.276 31.700 -0.235 0.000 1.936 307 N N 1.556 120.270 118.700 0.023 0.000 2.412 307 N HA 0.094 4.851 4.740 0.027 0.000 0.258 307 N C 0.101 175.839 175.510 0.381 0.000 1.236 307 N CA 0.555 53.699 53.050 0.158 0.000 0.882 307 N CB 0.693 39.279 38.487 0.166 0.000 1.066 307 N HN 0.308 nan 8.380 nan 0.000 0.465 308 L N 2.339 123.715 121.223 0.254 0.000 2.388 308 L HA 0.460 4.816 4.340 0.027 0.000 0.264 308 L C -0.765 176.218 176.870 0.188 0.000 0.998 308 L CA -0.857 54.181 54.840 0.329 0.000 0.817 308 L CB 1.292 43.497 42.059 0.244 0.000 1.338 308 L HN 0.384 nan 8.230 nan 0.000 0.414 309 Y N 0.397 120.850 120.300 0.255 0.000 2.631 309 Y HA 0.656 5.223 4.550 0.028 0.000 0.328 309 Y C -0.115 175.902 175.900 0.196 0.000 1.118 309 Y CA -0.830 57.421 58.100 0.252 0.000 1.206 309 Y CB 1.475 40.154 38.460 0.365 0.000 1.337 309 Y HN 0.382 nan 8.280 nan 0.000 0.515 310 R N 0.940 121.662 120.500 0.370 0.000 2.439 310 R HA 0.781 5.137 4.340 0.027 0.000 0.310 310 R C -1.620 174.859 176.300 0.298 0.000 0.955 310 R CA -0.493 55.762 56.100 0.259 0.000 0.853 310 R CB 1.017 31.409 30.300 0.153 0.000 1.171 310 R HN 0.740 nan 8.270 nan 0.000 0.449 311 A N 3.915 126.856 122.820 0.203 0.000 2.274 311 A HA 0.601 4.937 4.320 0.027 0.000 0.309 311 A C -0.937 176.699 177.584 0.088 0.000 1.226 311 A CA -0.605 51.528 52.037 0.160 0.000 0.853 311 A CB 1.148 20.215 19.000 0.110 0.000 1.146 311 A HN 0.493 nan 8.150 nan 0.000 0.518 312 V N 3.522 123.491 119.914 0.092 0.000 2.448 312 V HA 0.385 4.522 4.120 0.027 0.000 0.295 312 V C -0.367 175.695 176.094 -0.054 0.000 1.025 312 V CA -0.483 61.810 62.300 -0.011 0.000 0.859 312 V CB 1.675 33.506 31.823 0.013 0.000 0.988 312 V HN 0.621 nan 8.190 nan 0.000 0.431 313 V N 4.743 124.559 119.914 -0.164 0.000 2.328 313 V HA 0.430 4.567 4.120 0.027 0.000 0.278 313 V C -0.047 175.984 176.094 -0.106 0.000 1.021 313 V CA -0.581 61.605 62.300 -0.189 0.000 0.838 313 V CB 1.230 32.794 31.823 -0.432 0.000 0.999 313 V HN 0.909 nan 8.190 nan 0.000 0.447 314 E N 3.605 123.795 120.200 -0.017 0.000 2.166 314 E HA 0.525 4.891 4.350 0.027 0.000 0.275 314 E C -1.091 175.587 176.600 0.130 0.000 0.941 314 E CA -0.887 55.548 56.400 0.059 0.000 0.784 314 E CB 2.472 32.227 29.700 0.091 0.000 1.115 314 E HN 0.461 nan 8.360 nan 0.000 0.399 315 L N 4.659 125.945 121.223 0.105 0.000 2.265 315 L HA 0.395 4.751 4.340 0.027 0.000 0.289 315 L C -1.003 175.966 176.870 0.164 0.000 1.033 315 L CA 0.071 54.963 54.840 0.086 0.000 0.814 315 L CB 0.057 42.156 42.059 0.066 0.000 1.203 315 L HN 0.691 nan 8.230 nan 0.000 0.423 316 H N 0.332 119.434 119.070 0.054 0.000 2.933 316 H HA 0.823 5.395 4.556 0.027 0.000 0.310 316 H C -0.801 174.595 175.328 0.113 0.000 1.351 316 H CA -0.499 55.589 56.048 0.066 0.000 1.137 316 H CB 0.835 30.618 29.762 0.034 0.000 1.853 316 H HN 0.472 nan 8.280 nan 0.000 0.539 317 T N -2.322 112.380 114.554 0.246 0.000 2.944 317 T HA 0.580 4.946 4.350 0.027 0.000 0.284 317 T C 1.335 176.179 174.700 0.239 0.000 1.010 317 T CA -0.445 61.791 62.100 0.227 0.000 1.025 317 T CB 1.605 70.576 68.868 0.171 0.000 1.079 317 T HN 0.929 nan 8.240 nan 0.000 0.516 318 A N 1.044 123.971 122.820 0.180 0.000 2.019 318 A HA -0.063 4.274 4.320 0.027 0.000 0.219 318 A C 1.747 179.402 177.584 0.118 0.000 1.164 318 A CA 1.677 53.802 52.037 0.146 0.000 0.644 318 A CB -1.034 18.038 19.000 0.120 0.000 0.805 318 A HN 0.964 nan 8.150 nan 0.000 0.449 319 D N -2.053 118.392 120.400 0.076 0.000 2.336 319 D HA 0.287 4.944 4.640 0.027 0.000 0.229 319 D C 1.062 177.391 176.300 0.049 0.000 1.061 319 D CA 0.776 54.799 54.000 0.038 0.000 0.875 319 D CB -0.664 40.129 40.800 -0.011 0.000 0.904 319 D HN 0.787 nan 8.370 nan 0.000 0.525 320 G N -0.704 108.159 108.800 0.104 0.000 2.131 320 G HA2 -0.228 3.749 3.960 0.027 0.000 0.223 320 G HA3 -0.228 3.749 3.960 0.027 0.000 0.223 320 G C 0.138 175.063 174.900 0.042 0.000 0.990 320 G CA 0.122 45.258 45.100 0.059 0.000 0.671 320 G HN 0.412 nan 8.290 nan 0.000 0.521 321 T N 1.227 115.828 114.554 0.078 0.000 2.771 321 T HA 0.520 4.887 4.350 0.027 0.000 0.291 321 T C 0.294 175.057 174.700 0.105 0.000 0.954 321 T CA -0.302 61.833 62.100 0.058 0.000 1.045 321 T CB 1.864 70.754 68.868 0.037 0.000 0.917 321 T HN 0.522 nan 8.240 nan 0.000 0.484 322 L N 4.850 126.113 121.223 0.066 0.000 2.367 322 L HA 0.358 4.715 4.340 0.027 0.000 0.275 322 L C 0.734 177.654 176.870 0.083 0.000 1.129 322 L CA 0.370 55.261 54.840 0.085 0.000 0.839 322 L CB 0.070 42.150 42.059 0.035 0.000 1.133 322 L HN 0.709 nan 8.230 nan 0.000 0.453 323 I N 2.619 123.250 120.570 0.101 0.000 2.512 323 I HA 0.123 4.309 4.170 0.027 0.000 0.247 323 I C 0.235 176.378 176.117 0.044 0.000 1.094 323 I CA 0.439 61.781 61.300 0.071 0.000 1.427 323 I CB 0.170 38.216 38.000 0.077 0.000 1.149 323 I HN 0.800 nan 8.210 nan 0.000 0.438 324 E N 0.101 120.327 120.200 0.043 0.000 2.409 324 E HA 0.706 5.072 4.350 0.027 0.000 0.280 324 E C -1.485 175.137 176.600 0.036 0.000 1.079 324 E CA -1.093 55.325 56.400 0.029 0.000 0.840 324 E CB 1.707 31.392 29.700 -0.026 0.000 1.309 324 E HN -0.004 nan 8.360 nan 0.000 0.447 325 A N 1.130 123.996 122.820 0.077 0.000 2.414 325 A HA 0.712 5.048 4.320 0.027 0.000 0.306 325 A C -0.999 176.697 177.584 0.187 0.000 1.054 325 A CA -0.718 51.367 52.037 0.080 0.000 0.724 325 A CB 1.652 20.695 19.000 0.072 0.000 1.267 325 A HN 0.494 nan 8.150 nan 0.000 0.418 326 E N -0.317 119.914 120.200 0.052 0.000 2.339 326 E HA 0.864 5.231 4.350 0.027 0.000 0.262 326 E C -0.475 176.143 176.600 0.030 0.000 0.934 326 E CA -0.408 56.067 56.400 0.127 0.000 0.802 326 E CB 2.347 31.968 29.700 -0.132 0.000 1.275 326 E HN 1.225 nan 8.360 nan 0.000 0.427 327 A N -0.181 122.771 122.820 0.220 0.000 2.566 327 A HA 0.716 5.052 4.320 0.027 0.000 0.290 327 A C -1.185 176.594 177.584 0.324 0.000 1.071 327 A CA -0.331 51.769 52.037 0.104 0.000 0.658 327 A CB 0.610 19.604 19.000 -0.009 0.000 1.285 327 A HN 0.878 nan 8.150 nan 0.000 0.427 328 C N -0.732 118.713 119.300 0.241 0.000 3.311 328 C HA 0.808 5.284 4.460 0.027 0.000 0.325 328 C C -1.350 173.737 174.990 0.163 0.000 1.352 328 C CA -0.944 58.222 59.018 0.246 0.000 1.308 328 C CB 1.054 28.960 27.740 0.277 0.000 1.619 328 C HN 0.820 nan 8.230 nan 0.000 0.469 329 D N 1.035 121.516 120.400 0.136 0.000 2.350 329 D HA 0.523 5.179 4.640 0.027 0.000 0.249 329 D C -0.344 176.008 176.300 0.087 0.000 1.119 329 D CA 0.222 54.299 54.000 0.128 0.000 0.886 329 D CB 1.744 42.622 40.800 0.130 0.000 1.195 329 D HN 0.544 nan 8.370 nan 0.000 0.437 330 V N 1.215 121.207 119.914 0.130 0.000 2.540 330 V HA 0.638 4.774 4.120 0.027 0.000 0.302 330 V C 0.583 176.740 176.094 0.105 0.000 1.035 330 V CA -0.870 61.453 62.300 0.038 0.000 0.873 330 V CB 2.036 33.852 31.823 -0.011 0.000 0.992 330 V HN 0.604 nan 8.190 nan 0.000 0.428 331 G N 3.078 111.830 108.800 -0.080 0.000 2.437 331 G HA2 0.593 4.569 3.960 0.027 0.000 0.315 331 G HA3 0.593 4.569 3.960 0.027 0.000 0.315 331 G C -0.925 174.041 174.900 0.110 0.000 1.210 331 G CA -0.399 44.738 45.100 0.062 0.000 0.943 331 G HN 0.455 nan 8.290 nan 0.000 0.471 332 F N 4.024 124.158 119.950 0.307 0.000 2.468 332 F HA 0.381 4.924 4.527 0.027 0.000 0.356 332 F C 1.181 177.242 175.800 0.435 0.000 1.167 332 F CA 0.038 58.285 58.000 0.411 0.000 1.135 332 F CB 0.551 39.783 39.000 0.386 0.000 1.197 332 F HN 0.429 nan 8.300 nan 0.000 0.569 333 R N 3.379 124.174 120.500 0.491 0.000 2.629 333 R HA 0.414 4.770 4.340 0.027 0.000 0.266 333 R C -1.855 174.602 176.300 0.263 0.000 1.051 333 R CA -0.760 55.464 56.100 0.206 0.000 0.895 333 R CB 1.654 32.115 30.300 0.268 0.000 1.246 333 R HN 0.582 nan 8.270 nan 0.000 0.459 334 E N 2.221 122.474 120.200 0.088 0.000 2.199 334 E HA 0.512 4.878 4.350 0.027 0.000 0.269 334 E C -1.295 175.372 176.600 0.111 0.000 0.899 334 E CA -0.961 55.572 56.400 0.222 0.000 0.772 334 E CB 2.200 32.116 29.700 0.360 0.000 1.155 334 E HN 0.393 nan 8.360 nan 0.000 0.408 335 V N 5.149 125.126 119.914 0.104 0.000 2.531 335 V HA 0.574 4.710 4.120 0.027 0.000 0.301 335 V C -0.382 175.751 176.094 0.065 0.000 1.034 335 V CA -0.687 61.645 62.300 0.053 0.000 0.865 335 V CB 1.408 33.242 31.823 0.018 0.000 0.995 335 V HN 0.750 nan 8.190 nan 0.000 0.424 336 R N 4.166 124.701 120.500 0.059 0.000 2.710 336 R HA 0.736 5.092 4.340 0.027 0.000 0.270 336 R C -2.022 174.304 176.300 0.043 0.000 1.021 336 R CA -0.936 55.202 56.100 0.062 0.000 0.889 336 R CB 2.043 32.395 30.300 0.086 0.000 1.243 336 R HN 0.510 nan 8.270 nan 0.000 0.464 337 I N 1.198 121.793 120.570 0.043 0.000 2.354 337 I HA 0.344 4.530 4.170 0.027 0.000 0.292 337 I C -0.567 175.572 176.117 0.037 0.000 0.989 337 I CA -0.418 60.901 61.300 0.032 0.000 1.188 337 I CB 1.830 39.850 38.000 0.033 0.000 1.342 337 I HN 0.690 nan 8.210 nan 0.000 0.457 338 E N 5.671 125.889 120.200 0.030 0.000 2.278 338 E HA 0.246 4.612 4.350 0.027 0.000 0.272 338 E C -0.264 176.349 176.600 0.022 0.000 0.890 338 E CA -0.532 55.887 56.400 0.032 0.000 0.770 338 E CB 1.009 30.735 29.700 0.042 0.000 1.212 338 E HN 0.550 nan 8.360 nan 0.000 0.415 339 N N 3.238 121.951 118.700 0.021 0.000 2.725 339 N HA -0.240 4.516 4.740 0.027 0.000 0.249 339 N C 0.430 175.946 175.510 0.009 0.000 1.103 339 N CA 2.087 55.146 53.050 0.015 0.000 0.707 339 N CB -1.104 37.391 38.487 0.014 0.000 1.043 339 N HN 0.953 nan 8.380 nan 0.000 0.553 340 G N -2.380 106.425 108.800 0.009 0.000 2.176 340 G HA2 -0.264 3.712 3.960 0.027 0.000 0.253 340 G HA3 -0.264 3.712 3.960 0.027 0.000 0.253 340 G C -0.144 174.750 174.900 -0.010 0.000 0.979 340 G CA 0.400 45.501 45.100 0.002 0.000 0.641 340 G HN 0.446 nan 8.290 nan 0.000 0.530 341 L N 0.007 121.225 121.223 -0.009 0.000 2.362 341 L HA 0.711 5.067 4.340 0.027 0.000 0.271 341 L C 0.002 176.860 176.870 -0.021 0.000 1.002 341 L CA -1.334 53.492 54.840 -0.023 0.000 0.818 341 L CB 1.942 43.988 42.059 -0.022 0.000 1.298 341 L HN 0.103 nan 8.230 nan 0.000 0.420 342 L N 4.251 125.449 121.223 -0.041 0.000 2.281 342 L HA 0.452 4.808 4.340 0.027 0.000 0.285 342 L C -0.892 175.952 176.870 -0.044 0.000 1.074 342 L CA 0.390 55.206 54.840 -0.039 0.000 0.817 342 L CB 0.369 42.392 42.059 -0.060 0.000 1.168 342 L HN 0.378 nan 8.230 nan 0.000 0.434 343 L N 5.914 127.127 121.223 -0.017 0.000 2.334 343 L HA 0.544 4.901 4.340 0.027 0.000 0.276 343 L C -0.822 176.044 176.870 -0.006 0.000 1.014 343 L CA -0.844 53.992 54.840 -0.007 0.000 0.815 343 L CB 1.919 43.997 42.059 0.031 0.000 1.268 343 L HN 0.547 nan 8.230 nan 0.000 0.428 344 L N 3.849 125.075 121.223 0.004 0.000 2.319 344 L HA 0.480 4.837 4.340 0.027 0.000 0.281 344 L C -0.221 176.630 176.870 -0.033 0.000 1.005 344 L CA -0.027 54.819 54.840 0.008 0.000 0.828 344 L CB 0.821 42.891 42.059 0.018 0.000 1.227 344 L HN 0.615 nan 8.230 nan 0.000 0.415 345 N N 4.066 122.598 118.700 -0.280 0.000 2.721 345 N HA -0.219 4.538 4.740 0.027 0.000 0.249 345 N C 0.922 176.013 175.510 -0.699 0.000 1.072 345 N CA 1.265 53.780 53.050 -0.891 0.000 0.710 345 N CB -1.402 36.479 38.487 -1.010 0.000 0.993 345 N HN 1.181 nan 8.380 nan 0.000 0.547 346 G N -1.970 106.722 108.800 -0.181 0.000 2.184 346 G HA2 -0.360 3.617 3.960 0.027 0.000 0.264 346 G HA3 -0.360 3.617 3.960 0.027 0.000 0.264 346 G C -0.047 174.878 174.900 0.041 0.000 0.975 346 G CA 0.967 46.110 45.100 0.071 0.000 0.642 346 G HN 0.425 nan 8.290 nan 0.000 0.536 347 K N 0.742 121.157 120.400 0.026 0.000 2.259 347 K HA 0.539 4.875 4.320 0.027 0.000 0.252 347 K C -2.814 173.760 176.600 -0.043 0.000 0.936 347 K CA -2.245 54.028 56.287 -0.024 0.000 0.810 347 K CB 2.470 34.892 32.500 -0.130 0.000 1.143 347 K HN 0.040 nan 8.250 nan 0.000 0.427 348 P HA 0.211 nan 4.420 nan 0.000 0.276 348 P C -0.109 177.125 177.300 -0.110 0.000 1.253 348 P CA -0.247 62.805 63.100 -0.079 0.000 0.766 348 P CB 0.481 32.138 31.700 -0.072 0.000 0.845 349 L N 3.362 124.515 121.223 -0.116 0.000 2.464 349 L HA 0.274 4.630 4.340 0.027 0.000 0.264 349 L C 0.657 177.444 176.870 -0.139 0.000 1.199 349 L CA -0.577 54.183 54.840 -0.134 0.000 0.818 349 L CB 0.289 42.227 42.059 -0.202 0.000 1.102 349 L HN 0.260 nan 8.230 nan 0.000 0.473 350 L N 3.625 124.784 121.223 -0.108 0.000 2.388 350 L HA 0.416 4.773 4.340 0.027 0.000 0.267 350 L C -0.509 176.315 176.870 -0.078 0.000 0.995 350 L CA -0.228 54.532 54.840 -0.132 0.000 0.864 350 L CB 0.801 42.807 42.059 -0.088 0.000 1.216 350 L HN 0.241 nan 8.230 nan 0.000 0.430 351 I N 4.847 125.303 120.570 -0.191 0.000 2.436 351 I HA 0.183 4.370 4.170 0.027 0.000 0.289 351 I C 0.553 176.644 176.117 -0.044 0.000 1.083 351 I CA 0.197 61.407 61.300 -0.148 0.000 1.372 351 I CB 0.409 38.202 38.000 -0.345 0.000 1.408 351 I HN 0.559 nan 8.210 nan 0.000 0.516 352 R N 4.787 125.351 120.500 0.107 0.000 2.666 352 R HA 0.452 4.808 4.340 0.027 0.000 0.275 352 R C 0.457 176.894 176.300 0.229 0.000 1.266 352 R CA -0.276 55.938 56.100 0.191 0.000 1.401 352 R CB 0.965 31.203 30.300 -0.103 0.000 1.145 352 R HN 0.782 nan 8.270 nan 0.000 0.581 353 G N 0.195 109.088 108.800 0.154 0.000 2.509 353 G HA2 0.586 4.562 3.960 0.027 0.000 0.328 353 G HA3 0.586 4.562 3.960 0.027 0.000 0.328 353 G C -1.312 173.901 174.900 0.521 0.000 1.194 353 G CA -0.471 44.714 45.100 0.142 0.000 0.967 353 G HN 0.242 nan 8.290 nan 0.000 0.488 354 V N 0.251 120.452 119.914 0.478 0.000 2.888 354 V HA 0.451 4.587 4.120 0.027 0.000 0.309 354 V C -1.012 175.230 176.094 0.245 0.000 1.114 354 V CA -1.222 61.244 62.300 0.277 0.000 0.940 354 V CB 2.134 33.836 31.823 -0.201 0.000 1.021 354 V HN 0.762 nan 8.190 nan 0.000 0.426 355 N N 4.356 123.123 118.700 0.112 0.000 2.530 355 N HA 0.389 5.145 4.740 0.027 0.000 0.273 355 N C -0.626 174.690 175.510 -0.324 0.000 1.173 355 N CA -0.165 52.797 53.050 -0.148 0.000 0.967 355 N CB 1.240 39.552 38.487 -0.292 0.000 1.109 355 N HN 0.621 nan 8.380 nan 0.000 0.453 356 R N 2.150 122.422 120.500 -0.380 0.000 2.500 356 R HA 0.186 4.543 4.340 0.027 0.000 0.299 356 R C -0.828 175.228 176.300 -0.408 0.000 1.038 356 R CA -0.543 55.357 56.100 -0.334 0.000 0.903 356 R CB 0.630 30.722 30.300 -0.347 0.000 1.177 356 R HN 0.606 nan 8.270 nan 0.000 0.455 357 H N 1.995 120.917 119.070 -0.246 0.000 2.603 357 H HA 0.099 4.672 4.556 0.028 0.000 0.370 357 H C -0.427 174.901 175.328 -0.001 0.000 1.225 357 H CA 0.257 56.255 56.048 -0.083 0.000 1.410 357 H CB 1.245 31.029 29.762 0.037 0.000 1.495 357 H HN 0.545 nan 8.280 nan 0.000 0.602 358 E N 1.646 122.038 120.200 0.321 0.000 1.996 358 E HA 0.113 4.480 4.350 0.027 0.000 0.280 358 E C -0.733 176.026 176.600 0.266 0.000 1.092 358 E CA 0.001 56.522 56.400 0.202 0.000 0.862 358 E CB 0.263 30.101 29.700 0.231 0.000 1.066 358 E HN 0.385 nan 8.360 nan 0.000 0.396 359 H N 1.663 120.803 119.070 0.116 0.000 2.954 359 H HA 0.250 4.822 4.556 0.027 0.000 0.361 359 H C -1.733 173.657 175.328 0.103 0.000 1.122 359 H CA -0.663 55.451 56.048 0.110 0.000 1.217 359 H CB 1.088 30.905 29.762 0.093 0.000 1.776 359 H HN 0.397 nan 8.280 nan 0.000 0.533 360 H N 6.175 124.846 119.070 -0.665 0.000 2.689 360 H HA 0.219 4.792 4.556 0.027 0.000 0.346 360 H C -2.298 172.662 175.328 -0.613 0.000 1.037 360 H CA -2.386 53.417 56.048 -0.409 0.000 1.234 360 H CB 2.736 32.413 29.762 -0.140 0.000 1.572 360 H HN 0.551 nan 8.280 nan 0.000 0.524 361 P HA -0.065 nan 4.420 nan 0.000 0.222 361 P C 1.018 178.224 177.300 -0.156 0.000 1.147 361 P CA 0.791 63.755 63.100 -0.225 0.000 0.790 361 P CB 0.732 32.342 31.700 -0.149 0.000 0.780 362 L N -2.072 119.158 121.223 0.012 0.000 2.467 362 L HA 0.176 4.532 4.340 0.027 0.000 0.213 362 L C 2.076 178.675 176.870 -0.450 0.000 1.053 362 L CA 0.527 55.211 54.840 -0.260 0.000 0.847 362 L CB -0.911 40.886 42.059 -0.437 0.000 1.075 362 L HN -0.025 nan 8.230 nan 0.000 0.479 363 H N 0.110 119.147 119.070 -0.055 0.000 2.551 363 H HA 0.298 4.870 4.556 0.027 0.000 0.271 363 H C 1.422 176.647 175.328 -0.171 0.000 0.984 363 H CA 0.270 56.191 56.048 -0.211 0.000 1.164 363 H CB 0.473 29.984 29.762 -0.418 0.000 1.437 363 H HN 0.407 nan 8.280 nan 0.000 0.550 364 G N 1.310 110.020 108.800 -0.150 0.000 2.536 364 G HA2 -0.378 3.599 3.960 0.027 0.000 0.277 364 G HA3 -0.378 3.599 3.960 0.027 0.000 0.277 364 G C 0.670 175.486 174.900 -0.140 0.000 1.155 364 G CA 0.327 45.296 45.100 -0.219 0.000 0.960 364 G HN 0.452 nan 8.290 nan 0.000 0.544 365 Q N -0.130 119.623 119.800 -0.078 0.000 2.247 365 Q HA 0.450 4.806 4.340 0.027 0.000 0.204 365 Q C 0.433 176.540 176.000 0.179 0.000 0.872 365 Q CA -0.072 55.735 55.803 0.006 0.000 0.951 365 Q CB 1.321 29.951 28.738 -0.181 0.000 1.099 365 Q HN 0.377 nan 8.270 nan 0.000 0.501 366 V N 2.105 122.103 119.914 0.140 0.000 2.530 366 V HA 0.141 4.277 4.120 0.027 0.000 0.282 366 V C 0.186 176.335 176.094 0.092 0.000 1.048 366 V CA 0.242 62.628 62.300 0.142 0.000 0.997 366 V CB 0.919 32.758 31.823 0.026 0.000 0.987 366 V HN 0.309 nan 8.190 nan 0.000 0.477 367 M N 5.341 125.000 119.600 0.098 0.000 2.472 367 M HA 0.501 4.997 4.480 0.027 0.000 0.331 367 M C -0.447 175.816 176.300 -0.061 0.000 1.170 367 M CA -0.573 54.745 55.300 0.029 0.000 1.009 367 M CB 1.868 34.453 32.600 -0.024 0.000 1.672 367 M HN 0.841 nan 8.290 nan 0.000 0.453 368 D N 0.383 120.759 120.400 -0.040 0.000 2.490 368 D HA 0.221 4.877 4.640 0.027 0.000 0.232 368 D C 0.173 176.458 176.300 -0.025 0.000 1.053 368 D CA -0.449 53.520 54.000 -0.051 0.000 0.914 368 D CB 1.821 42.605 40.800 -0.026 0.000 1.431 368 D HN 0.724 nan 8.370 nan 0.000 0.483 369 E N -0.077 120.117 120.200 -0.011 0.000 2.085 369 E HA -0.287 4.080 4.350 0.027 0.000 0.194 369 E C 1.783 178.427 176.600 0.073 0.000 0.994 369 E CA 1.261 57.683 56.400 0.036 0.000 0.801 369 E CB 0.113 29.848 29.700 0.058 0.000 0.743 369 E HN 0.532 nan 8.360 nan 0.000 0.453 370 Q N 0.003 119.848 119.800 0.074 0.000 2.061 370 Q HA -0.172 4.184 4.340 0.027 0.000 0.204 370 Q C 1.985 178.049 176.000 0.106 0.000 0.984 370 Q CA 2.304 58.161 55.803 0.090 0.000 0.846 370 Q CB -0.217 28.575 28.738 0.090 0.000 0.902 370 Q HN 0.285 nan 8.270 nan 0.000 0.421 371 T N 1.309 115.937 114.554 0.124 0.000 2.821 371 T HA -0.084 4.283 4.350 0.027 0.000 0.267 371 T C 1.954 176.740 174.700 0.143 0.000 1.046 371 T CA 1.465 63.651 62.100 0.144 0.000 1.139 371 T CB -0.150 68.834 68.868 0.194 0.000 0.871 371 T HN 0.303 nan 8.240 nan 0.000 0.454 372 M N 0.586 120.272 119.600 0.143 0.000 2.080 372 M HA -0.116 4.381 4.480 0.027 0.000 0.260 372 M C 2.461 178.877 176.300 0.194 0.000 1.068 372 M CA 1.437 56.888 55.300 0.252 0.000 1.109 372 M CB -0.743 32.035 32.600 0.298 0.000 1.342 372 M HN 0.096 nan 8.290 nan 0.000 0.405 373 V N 0.272 120.245 119.914 0.099 0.000 2.295 373 V HA -0.314 3.822 4.120 0.027 0.000 0.246 373 V C 2.349 178.425 176.094 -0.030 0.000 1.049 373 V CA 2.218 64.513 62.300 -0.009 0.000 1.024 373 V CB -0.904 30.954 31.823 0.058 0.000 0.648 373 V HN 0.560 nan 8.190 nan 0.000 0.447 374 Q N -0.253 119.580 119.800 0.056 0.000 2.077 374 Q HA -0.284 4.072 4.340 0.027 0.000 0.206 374 Q C 1.973 178.042 176.000 0.115 0.000 0.989 374 Q CA 2.337 58.190 55.803 0.083 0.000 0.853 374 Q CB -0.162 28.645 28.738 0.115 0.000 0.907 374 Q HN 0.624 nan 8.270 nan 0.000 0.418 375 D N 0.110 120.599 120.400 0.148 0.000 2.117 375 D HA -0.117 4.539 4.640 0.027 0.000 0.198 375 D C 1.905 178.146 176.300 -0.099 0.000 0.982 375 D CA 1.032 55.121 54.000 0.149 0.000 0.828 375 D CB -0.142 40.734 40.800 0.126 0.000 0.967 375 D HN 0.360 nan 8.370 nan 0.000 0.464 376 I N 0.620 121.126 120.570 -0.106 0.000 2.286 376 I HA -0.227 3.959 4.170 0.027 0.000 0.248 376 I C 2.357 178.320 176.117 -0.257 0.000 1.115 376 I CA 0.610 61.743 61.300 -0.279 0.000 1.392 376 I CB -0.068 37.653 38.000 -0.466 0.000 1.065 376 I HN -0.004 nan 8.210 nan 0.000 0.418 377 L N -0.002 121.104 121.223 -0.195 0.000 2.046 377 L HA -0.225 4.132 4.340 0.027 0.000 0.208 377 L C 2.528 179.452 176.870 0.090 0.000 1.077 377 L CA 1.328 56.142 54.840 -0.043 0.000 0.747 377 L CB -0.523 41.533 42.059 -0.005 0.000 0.896 377 L HN 0.280 nan 8.230 nan 0.000 0.432 378 L N -0.988 120.314 121.223 0.132 0.000 2.046 378 L HA -0.240 4.116 4.340 0.027 0.000 0.208 378 L C 2.679 179.719 176.870 0.284 0.000 1.077 378 L CA 1.310 56.323 54.840 0.288 0.000 0.747 378 L CB -0.298 42.076 42.059 0.526 0.000 0.896 378 L HN 0.281 nan 8.230 nan 0.000 0.432 379 M N -0.543 119.031 119.600 -0.044 0.000 2.065 379 M HA -0.259 4.238 4.480 0.027 0.000 0.259 379 M C 2.304 178.694 176.300 0.151 0.000 1.071 379 M CA 1.942 57.152 55.300 -0.151 0.000 1.109 379 M CB -0.365 31.912 32.600 -0.539 0.000 1.313 379 M HN 0.063 nan 8.290 nan 0.000 0.408 380 K N -0.075 120.314 120.400 -0.019 0.000 2.097 380 K HA -0.180 4.157 4.320 0.027 0.000 0.206 380 K C 1.967 178.566 176.600 -0.000 0.000 1.049 380 K CA 1.336 57.510 56.287 -0.189 0.000 0.933 380 K CB -0.227 31.955 32.500 -0.531 0.000 0.717 380 K HN 0.458 nan 8.250 nan 0.000 0.442 381 Q N 0.360 120.326 119.800 0.276 0.000 2.291 381 Q HA -0.027 4.329 4.340 0.027 0.000 0.205 381 Q C 0.780 177.074 176.000 0.489 0.000 0.970 381 Q CA 0.708 56.775 55.803 0.440 0.000 0.876 381 Q CB 0.144 29.114 28.738 0.387 0.000 0.935 381 Q HN 0.277 nan 8.270 nan 0.000 0.455 382 N N 0.810 119.757 118.700 0.412 0.000 2.320 382 N HA 0.055 4.812 4.740 0.027 0.000 0.237 382 N C -0.612 175.000 175.510 0.170 0.000 1.129 382 N CA 0.012 53.297 53.050 0.392 0.000 0.854 382 N CB 0.628 39.429 38.487 0.524 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.170 118.980 118.700 0.183 0.000 2.741 383 N HA -0.190 4.567 4.740 0.027 0.000 0.251 383 N C -0.817 174.610 175.510 -0.138 0.000 1.112 383 N CA 0.839 53.947 53.050 0.097 0.000 0.750 383 N CB -1.719 36.739 38.487 -0.049 0.000 1.119 383 N HN 0.271 nan 8.380 nan 0.000 0.561 384 F N 1.070 121.046 119.950 0.042 0.000 2.375 384 F HA 0.292 4.835 4.527 0.027 0.000 0.333 384 F C 1.773 177.571 175.800 -0.002 0.000 1.104 384 F CA -0.536 57.474 58.000 0.016 0.000 1.149 384 F CB 0.812 39.795 39.000 -0.028 0.000 1.190 384 F HN 0.041 nan 8.300 nan 0.000 0.533 385 N N 0.651 119.476 118.700 0.208 0.000 2.143 385 N HA 0.434 5.190 4.740 0.027 0.000 0.222 385 N C -0.812 174.746 175.510 0.079 0.000 1.264 385 N CA -0.003 53.092 53.050 0.074 0.000 0.897 385 N CB 0.740 39.319 38.487 0.152 0.000 1.092 385 N HN 0.474 nan 8.380 nan 0.000 0.516 386 A N -0.545 122.407 122.820 0.221 0.000 2.606 386 A HA 0.768 5.104 4.320 0.027 0.000 0.293 386 A C -1.777 176.045 177.584 0.396 0.000 1.082 386 A CA -0.704 51.529 52.037 0.327 0.000 0.685 386 A CB 1.814 21.054 19.000 0.399 0.000 1.284 386 A HN 0.230 nan 8.150 nan 0.000 0.408 387 V N 0.922 121.117 119.914 0.468 0.000 2.888 387 V HA 0.782 4.918 4.120 0.027 0.000 0.309 387 V C -0.682 175.531 176.094 0.199 0.000 1.114 387 V CA -0.679 61.836 62.300 0.358 0.000 0.940 387 V CB 1.893 33.859 31.823 0.238 0.000 1.021 387 V HN 1.145 nan 8.190 nan 0.000 0.426 388 R N 4.977 125.439 120.500 -0.063 0.000 2.393 388 R HA 0.491 4.848 4.340 0.027 0.000 0.310 388 R C -0.765 175.382 176.300 -0.256 0.000 0.968 388 R CA -0.444 55.421 56.100 -0.392 0.000 0.867 388 R CB 1.121 30.928 30.300 -0.821 0.000 1.124 388 R HN 0.797 nan 8.270 nan 0.000 0.450 389 C N 4.538 123.722 119.300 -0.195 0.000 2.896 389 C HA 0.130 4.607 4.460 0.027 0.000 0.499 389 C C 0.425 175.137 174.990 -0.463 0.000 1.022 389 C CA -0.456 58.399 59.018 -0.273 0.000 1.127 389 C CB -1.998 25.699 27.740 -0.072 0.000 1.452 389 C HN 0.736 nan 8.230 nan 0.000 0.580 390 S N 1.634 116.940 115.700 -0.656 0.000 2.465 390 S HA 0.191 4.677 4.470 0.027 0.000 0.280 390 S C -0.196 173.530 174.600 -1.456 0.000 1.232 390 S CA 0.115 57.680 58.200 -1.059 0.000 1.066 390 S CB 0.134 62.636 63.200 -1.163 0.000 0.929 390 S HN 0.727 nan 8.310 nan 0.000 0.494 391 H N 3.684 122.192 119.070 -0.936 0.000 2.429 391 H HA 0.334 4.906 4.556 0.027 0.000 0.231 391 H C -1.179 174.040 175.328 -0.183 0.000 1.416 391 H CA -0.358 55.501 56.048 -0.315 0.000 1.443 391 H CB -0.043 29.729 29.762 0.017 0.000 1.591 391 H HN 0.895 nan 8.280 nan 0.000 0.507 392 Y N -2.415 117.991 120.300 0.177 0.000 2.765 392 Y HA 0.372 4.938 4.550 0.028 0.000 0.350 392 Y C -3.335 172.676 175.900 0.185 0.000 1.196 392 Y CA -2.913 55.300 58.100 0.189 0.000 1.119 392 Y CB 0.012 38.589 38.460 0.195 0.000 1.368 392 Y HN -0.035 nan 8.280 nan 0.000 0.463 393 P HA 0.171 nan 4.420 nan 0.000 0.268 393 P C -0.604 176.997 177.300 0.502 0.000 1.205 393 P CA 0.082 63.439 63.100 0.429 0.000 0.771 393 P CB 0.612 32.497 31.700 0.307 0.000 0.858 394 N N 0.420 119.436 118.700 0.526 0.000 2.447 394 N HA 0.092 4.848 4.740 0.027 0.000 0.271 394 N C 0.070 175.845 175.510 0.443 0.000 1.226 394 N CA -0.568 52.710 53.050 0.380 0.000 0.980 394 N CB 0.349 38.855 38.487 0.032 0.000 1.206 394 N HN 0.600 nan 8.380 nan 0.000 0.558 395 H N 2.296 121.493 119.070 0.213 0.000 3.001 395 H HA -0.000 4.572 4.556 0.027 0.000 0.334 395 H C -1.597 173.911 175.328 0.300 0.000 1.034 395 H CA -0.763 55.393 56.048 0.180 0.000 1.420 395 H CB 0.999 30.831 29.762 0.118 0.000 1.405 395 H HN 0.427 nan 8.280 nan 0.000 0.593 396 P HA -0.218 nan 4.420 nan 0.000 0.216 396 P C 1.790 179.413 177.300 0.538 0.000 1.150 396 P CA 0.782 64.140 63.100 0.430 0.000 0.843 396 P CB 0.223 32.024 31.700 0.167 0.000 0.787 397 L N -1.037 120.580 121.223 0.655 0.000 2.265 397 L HA -0.046 4.310 4.340 0.027 0.000 0.215 397 L C 2.401 179.434 176.870 0.271 0.000 1.117 397 L CA 1.296 56.370 54.840 0.390 0.000 0.782 397 L CB -1.406 40.827 42.059 0.291 0.000 0.914 397 L HN 0.022 nan 8.230 nan 0.000 0.441 398 W N -0.441 120.898 121.300 0.065 0.000 2.335 398 W HA -0.329 4.347 4.660 0.026 0.000 0.311 398 W C 2.018 178.393 176.519 -0.240 0.000 1.213 398 W CA 1.925 59.170 57.345 -0.168 0.000 1.274 398 W CB -0.373 28.889 29.460 -0.330 0.000 1.148 398 W HN 0.272 nan 8.180 nan 0.000 0.498 399 Y N 0.621 120.851 120.300 -0.117 0.000 2.242 399 Y HA -0.189 4.377 4.550 0.027 0.000 0.291 399 Y C 2.869 178.539 175.900 -0.383 0.000 1.137 399 Y CA 2.064 59.882 58.100 -0.470 0.000 1.181 399 Y CB -1.308 36.529 38.460 -1.037 0.000 0.989 399 Y HN -0.224 nan 8.280 nan 0.000 0.527 400 T N 0.512 115.070 114.554 0.006 0.000 2.821 400 T HA -0.119 4.247 4.350 0.027 0.000 0.267 400 T C 1.972 176.698 174.700 0.043 0.000 1.046 400 T CA 1.162 63.342 62.100 0.132 0.000 1.139 400 T CB -0.445 68.555 68.868 0.219 0.000 0.871 400 T HN 0.230 nan 8.240 nan 0.000 0.454 401 L N 0.179 121.382 121.223 -0.034 0.000 2.056 401 L HA -0.075 4.282 4.340 0.027 0.000 0.207 401 L C 2.812 179.651 176.870 -0.053 0.000 1.078 401 L CA 0.879 55.720 54.840 0.001 0.000 0.749 401 L CB -0.616 41.420 42.059 -0.039 0.000 0.901 401 L HN 0.359 nan 8.230 nan 0.000 0.433 402 C N -0.251 118.851 119.300 -0.331 0.000 2.435 402 C HA -0.128 4.348 4.460 0.027 0.000 0.279 402 C C 2.398 177.426 174.990 0.064 0.000 1.321 402 C CA 0.309 59.179 59.018 -0.246 0.000 1.752 402 C CB -0.772 26.715 27.740 -0.421 0.000 1.959 402 C HN 0.534 nan 8.230 nan 0.000 0.500 403 D N 0.572 121.017 120.400 0.074 0.000 2.117 403 D HA -0.104 4.553 4.640 0.027 0.000 0.197 403 D C 2.392 178.897 176.300 0.342 0.000 0.987 403 D CA 1.242 55.364 54.000 0.203 0.000 0.829 403 D CB -0.337 40.543 40.800 0.133 0.000 0.961 403 D HN 0.528 nan 8.370 nan 0.000 0.460 404 R N -1.070 119.517 120.500 0.146 0.000 2.127 404 R HA 0.031 4.387 4.340 0.027 0.000 0.217 404 R C 2.117 178.379 176.300 -0.064 0.000 1.074 404 R CA 0.422 56.545 56.100 0.039 0.000 0.991 404 R CB -0.094 30.151 30.300 -0.092 0.000 0.895 404 R HN 0.290 nan 8.270 nan 0.000 0.450 405 Y N 0.055 120.370 120.300 0.025 0.000 2.420 405 Y HA 0.140 4.706 4.550 0.027 0.000 0.292 405 Y C 1.057 176.891 175.900 -0.110 0.000 1.119 405 Y CA 0.752 58.836 58.100 -0.026 0.000 1.229 405 Y CB 0.609 39.024 38.460 -0.075 0.000 1.026 405 Y HN 0.217 nan 8.280 nan 0.000 0.554 406 G N 1.223 110.055 108.800 0.054 0.000 2.830 406 G HA2 -0.155 3.821 3.960 0.027 0.000 0.298 406 G HA3 -0.155 3.821 3.960 0.027 0.000 0.298 406 G C -1.179 173.570 174.900 -0.251 0.000 1.031 406 G CA -0.553 44.451 45.100 -0.160 0.000 1.179 406 G HN 0.168 nan 8.290 nan 0.000 0.527 407 L N 1.079 122.228 121.223 -0.122 0.000 2.455 407 L HA 0.502 4.858 4.340 0.027 0.000 0.264 407 L C 0.036 176.906 176.870 0.001 0.000 0.968 407 L CA -1.317 53.412 54.840 -0.185 0.000 0.827 407 L CB 1.987 43.965 42.059 -0.134 0.000 1.317 407 L HN 0.459 nan 8.230 nan 0.000 0.407 408 Y N 1.821 122.261 120.300 0.234 0.000 2.359 408 Y HA 0.376 4.944 4.550 0.030 0.000 0.330 408 Y C 0.203 176.239 175.900 0.226 0.000 1.143 408 Y CA -0.588 57.682 58.100 0.283 0.000 1.318 408 Y CB 1.240 39.844 38.460 0.240 0.000 1.234 408 Y HN 0.161 nan 8.280 nan 0.000 0.522 409 V N 4.118 124.222 119.914 0.317 0.000 2.735 409 V HA 0.323 4.459 4.120 0.027 0.000 0.310 409 V C -0.660 175.516 176.094 0.138 0.000 1.061 409 V CA -1.041 61.386 62.300 0.213 0.000 0.913 409 V CB 2.053 33.967 31.823 0.150 0.000 1.005 409 V HN 0.441 nan 8.190 nan 0.000 0.428 410 V N 3.022 122.982 119.914 0.076 0.000 2.333 410 V HA 0.331 4.468 4.120 0.027 0.000 0.274 410 V C -0.327 175.805 176.094 0.063 0.000 1.028 410 V CA -0.338 61.960 62.300 -0.002 0.000 0.851 410 V CB 1.397 33.110 31.823 -0.183 0.000 1.000 410 V HN 0.874 nan 8.190 nan 0.000 0.456 411 D N 4.224 124.708 120.400 0.141 0.000 2.249 411 D HA 0.334 4.990 4.640 0.027 0.000 0.246 411 D C -0.255 176.245 176.300 0.333 0.000 1.114 411 D CA -0.095 54.087 54.000 0.303 0.000 0.854 411 D CB 1.315 42.346 40.800 0.385 0.000 1.132 411 D HN 0.700 nan 8.370 nan 0.000 0.461 412 E N 1.972 122.328 120.200 0.260 0.000 2.210 412 E HA 0.622 4.988 4.350 0.027 0.000 0.266 412 E C -1.075 175.665 176.600 0.232 0.000 0.883 412 E CA -1.061 55.476 56.400 0.228 0.000 0.761 412 E CB 1.367 31.154 29.700 0.145 0.000 1.156 412 E HN 0.448 nan 8.360 nan 0.000 0.412 413 A N 3.866 126.814 122.820 0.214 0.000 2.483 413 A HA 0.062 4.399 4.320 0.027 0.000 0.238 413 A C 0.306 178.019 177.584 0.214 0.000 1.070 413 A CA -0.215 51.930 52.037 0.179 0.000 0.770 413 A CB 0.133 19.201 19.000 0.112 0.000 1.008 413 A HN 0.691 nan 8.150 nan 0.000 0.497 414 N N 1.415 120.252 118.700 0.228 0.000 3.050 414 N HA 0.266 5.023 4.740 0.027 0.000 0.289 414 N C -1.043 174.601 175.510 0.223 0.000 1.209 414 N CA 0.223 53.442 53.050 0.282 0.000 1.154 414 N CB -0.839 37.811 38.487 0.272 0.000 1.444 414 N HN 0.478 nan 8.380 nan 0.000 0.529 415 I N 1.014 121.711 120.570 0.212 0.000 2.529 415 I HA 0.260 4.447 4.170 0.027 0.000 0.284 415 I C -0.645 175.579 176.117 0.178 0.000 1.088 415 I CA -0.595 60.813 61.300 0.179 0.000 1.062 415 I CB 1.848 39.930 38.000 0.137 0.000 1.218 415 I HN 0.242 nan 8.210 nan 0.000 0.442 416 E N 4.372 124.671 120.200 0.164 0.000 2.294 416 E HA 0.357 4.723 4.350 0.027 0.000 0.272 416 E C -0.676 175.985 176.600 0.101 0.000 0.896 416 E CA -0.460 56.006 56.400 0.110 0.000 0.802 416 E CB 1.598 31.345 29.700 0.079 0.000 1.267 416 E HN 0.603 nan 8.360 nan 0.000 0.406 417 T N 0.705 115.311 114.554 0.088 0.000 3.374 417 T HA 0.169 4.535 4.350 0.027 0.000 0.267 417 T C 0.830 175.576 174.700 0.076 0.000 0.996 417 T CA -0.376 61.799 62.100 0.124 0.000 0.977 417 T CB -0.239 68.692 68.868 0.105 0.000 1.149 417 T HN 0.656 nan 8.240 nan 0.000 0.517 418 H N 1.101 120.076 119.070 -0.159 0.000 2.390 418 H HA -0.026 4.547 4.556 0.029 0.000 0.298 418 H C 2.271 177.474 175.328 -0.208 0.000 1.106 418 H CA 1.209 57.140 56.048 -0.194 0.000 1.297 418 H CB -0.125 29.485 29.762 -0.254 0.000 1.375 418 H HN 0.593 nan 8.280 nan 0.000 0.509 419 G N 0.174 108.825 108.800 -0.248 0.000 2.848 419 G HA2 -0.016 3.961 3.960 0.027 0.000 0.208 419 G HA3 -0.016 3.961 3.960 0.027 0.000 0.208 419 G C 0.478 175.495 174.900 0.196 0.000 1.152 419 G CA -0.206 44.804 45.100 -0.150 0.000 0.789 419 G HN 0.140 nan 8.290 nan 0.000 0.531 420 M N 0.388 120.144 119.600 0.260 0.000 2.198 420 M HA 0.298 4.795 4.480 0.027 0.000 0.315 420 M C -0.305 176.031 176.300 0.060 0.000 1.134 420 M CA -0.207 55.193 55.300 0.167 0.000 1.171 420 M CB 1.349 33.999 32.600 0.083 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.535 123.461 119.914 0.020 0.000 2.443 421 V HA 0.371 4.507 4.120 0.027 0.000 0.293 421 V C -1.925 174.159 176.094 -0.016 0.000 1.021 421 V CA -1.329 60.968 62.300 -0.004 0.000 0.848 421 V CB 1.720 33.536 31.823 -0.013 0.000 0.998 421 V HN 0.736 nan 8.190 nan 0.000 0.424 422 P HA 0.220 nan 4.420 nan 0.000 0.274 422 P C 0.975 178.277 177.300 0.002 0.000 1.260 422 P CA -0.463 62.632 63.100 -0.009 0.000 0.793 422 P CB 1.044 32.739 31.700 -0.007 0.000 1.048 423 M N 0.596 120.203 119.600 0.012 0.000 2.213 423 M HA -0.166 4.330 4.480 0.027 0.000 0.263 423 M C 1.201 177.524 176.300 0.039 0.000 1.062 423 M CA 1.818 57.136 55.300 0.030 0.000 1.105 423 M CB -0.471 32.139 32.600 0.015 0.000 1.385 423 M HN 0.369 nan 8.290 nan 0.000 0.417 424 N N -0.101 118.623 118.700 0.039 0.000 2.322 424 N HA -0.066 4.690 4.740 0.027 0.000 0.216 424 N C 1.081 176.577 175.510 -0.024 0.000 1.144 424 N CA 0.144 53.221 53.050 0.045 0.000 0.830 424 N CB -0.722 37.811 38.487 0.077 0.000 1.034 424 N HN 0.353 nan 8.380 nan 0.000 0.484 425 R N 0.321 120.790 120.500 -0.050 0.000 2.103 425 R HA -0.010 4.346 4.340 0.027 0.000 0.242 425 R C 1.413 177.611 176.300 -0.170 0.000 1.142 425 R CA 1.395 57.438 56.100 -0.095 0.000 0.960 425 R CB -0.021 30.217 30.300 -0.103 0.000 0.858 425 R HN 0.301 nan 8.270 nan 0.000 0.439 426 L N -0.846 120.218 121.223 -0.265 0.000 2.202 426 L HA 0.001 4.357 4.340 0.027 0.000 0.205 426 L C 2.451 179.188 176.870 -0.222 0.000 1.083 426 L CA 1.238 55.802 54.840 -0.460 0.000 0.790 426 L CB -0.444 41.093 42.059 -0.869 0.000 0.942 426 L HN 0.337 nan 8.230 nan 0.000 0.452 427 T N -4.337 110.121 114.554 -0.161 0.000 3.051 427 T HA -0.156 4.210 4.350 0.027 0.000 0.269 427 T C 1.231 175.843 174.700 -0.147 0.000 1.127 427 T CA 1.147 63.133 62.100 -0.190 0.000 1.107 427 T CB -0.215 68.493 68.868 -0.268 0.000 0.898 427 T HN 0.100 nan 8.240 nan 0.000 0.517 428 D N 1.056 121.407 120.400 -0.082 0.000 2.340 428 D HA 0.116 4.772 4.640 0.027 0.000 0.217 428 D C -0.312 175.970 176.300 -0.030 0.000 1.081 428 D CA -0.240 53.724 54.000 -0.061 0.000 0.842 428 D CB -0.063 40.707 40.800 -0.049 0.000 0.934 428 D HN 0.307 nan 8.370 nan 0.000 0.511 429 D N -0.044 120.354 120.400 -0.004 0.000 2.317 429 D HA 0.122 4.779 4.640 0.027 0.000 0.234 429 D C -1.646 174.707 176.300 0.088 0.000 1.112 429 D CA -2.206 51.830 54.000 0.059 0.000 0.840 429 D CB 2.012 42.889 40.800 0.127 0.000 1.078 429 D HN -0.025 nan 8.370 nan 0.000 0.486 430 P HA -0.099 nan 4.420 nan 0.000 0.222 430 P C 0.977 178.284 177.300 0.012 0.000 1.147 430 P CA 0.696 63.807 63.100 0.018 0.000 0.790 430 P CB 0.338 32.036 31.700 -0.003 0.000 0.780 431 R N -1.909 118.607 120.500 0.025 0.000 2.280 431 R HA -0.057 4.300 4.340 0.027 0.000 0.207 431 R C 1.401 177.576 176.300 -0.208 0.000 1.043 431 R CA 0.946 56.992 56.100 -0.089 0.000 1.006 431 R CB -0.445 29.788 30.300 -0.110 0.000 0.885 431 R HN 0.316 nan 8.270 nan 0.000 0.467 432 W N -0.376 120.871 121.300 -0.089 0.000 3.220 432 W HA 0.129 4.805 4.660 0.026 0.000 0.328 432 W C 1.427 177.889 176.519 -0.094 0.000 1.205 432 W CA -0.504 56.789 57.345 -0.088 0.000 1.773 432 W CB 0.119 29.526 29.460 -0.089 0.000 1.086 432 W HN 0.008 nan 8.180 nan 0.000 0.622 433 L N 2.204 123.456 121.223 0.049 0.000 2.017 433 L HA -0.049 4.307 4.340 0.027 0.000 0.208 433 L C -0.675 176.162 176.870 -0.055 0.000 1.073 433 L CA 2.288 57.118 54.840 -0.015 0.000 0.745 433 L CB -1.691 40.347 42.059 -0.034 0.000 0.894 433 L HN -0.229 nan 8.230 nan 0.000 0.432 434 P HA -0.170 nan 4.420 nan 0.000 0.214 434 P C 1.611 178.856 177.300 -0.093 0.000 1.163 434 P CA 2.251 65.288 63.100 -0.105 0.000 0.883 434 P CB -0.240 31.386 31.700 -0.123 0.000 0.788 435 A N -1.222 121.554 122.820 -0.073 0.000 1.933 435 A HA -0.188 4.148 4.320 0.027 0.000 0.218 435 A C 2.223 179.820 177.584 0.022 0.000 1.175 435 A CA 1.912 53.939 52.037 -0.016 0.000 0.628 435 A CB -1.446 17.568 19.000 0.023 0.000 0.814 435 A HN 0.114 nan 8.150 nan 0.000 0.444 436 M N 0.087 119.710 119.600 0.038 0.000 2.132 436 M HA -0.134 4.363 4.480 0.027 0.000 0.263 436 M C 2.556 178.807 176.300 -0.082 0.000 1.065 436 M CA 1.662 56.965 55.300 0.006 0.000 1.122 436 M CB -0.345 32.240 32.600 -0.025 0.000 1.365 436 M HN 0.654 nan 8.290 nan 0.000 0.411 437 S N 0.519 116.141 115.700 -0.129 0.000 2.370 437 S HA -0.201 4.285 4.470 0.027 0.000 0.226 437 S C 1.609 176.043 174.600 -0.278 0.000 1.033 437 S CA 1.611 59.666 58.200 -0.240 0.000 1.011 437 S CB -0.592 62.445 63.200 -0.271 0.000 0.852 437 S HN 0.533 nan 8.310 nan 0.000 0.457 438 E N 0.854 120.941 120.200 -0.189 0.000 2.204 438 E HA -0.062 4.304 4.350 0.027 0.000 0.194 438 E C 2.430 178.944 176.600 -0.143 0.000 0.989 438 E CA 0.829 57.122 56.400 -0.177 0.000 0.824 438 E CB -0.117 29.516 29.700 -0.113 0.000 0.756 438 E HN 0.573 nan 8.360 nan 0.000 0.477 439 R N 0.070 120.518 120.500 -0.087 0.000 2.115 439 R HA -0.067 4.289 4.340 0.027 0.000 0.230 439 R C 2.258 178.518 176.300 -0.067 0.000 1.111 439 R CA 0.708 56.787 56.100 -0.034 0.000 0.976 439 R CB 0.033 30.352 30.300 0.032 0.000 0.870 439 R HN 0.022 nan 8.270 nan 0.000 0.445 440 V N 0.235 120.065 119.914 -0.140 0.000 2.331 440 V HA -0.183 3.953 4.120 0.027 0.000 0.242 440 V C 2.468 178.380 176.094 -0.304 0.000 1.034 440 V CA 2.166 64.359 62.300 -0.177 0.000 1.027 440 V CB -0.342 31.368 31.823 -0.189 0.000 0.667 440 V HN 0.523 nan 8.190 nan 0.000 0.457 441 T N -0.885 113.363 114.554 -0.511 0.000 2.821 441 T HA -0.211 4.155 4.350 0.027 0.000 0.267 441 T C 1.928 176.462 174.700 -0.276 0.000 1.046 441 T CA 1.265 62.974 62.100 -0.650 0.000 1.139 441 T CB -0.371 67.911 68.868 -0.977 0.000 0.871 441 T HN 0.397 nan 8.240 nan 0.000 0.454 442 R N 0.182 120.549 120.500 -0.223 0.000 2.189 442 R HA 0.257 4.613 4.340 0.027 0.000 0.218 442 R C 2.596 178.816 176.300 -0.133 0.000 1.074 442 R CA 1.139 57.145 56.100 -0.157 0.000 0.991 442 R CB -0.416 29.801 30.300 -0.138 0.000 0.883 442 R HN 0.486 nan 8.270 nan 0.000 0.457 443 M N 0.519 120.046 119.600 -0.122 0.000 2.099 443 M HA -0.126 4.371 4.480 0.027 0.000 0.262 443 M C 1.795 178.011 176.300 -0.140 0.000 1.067 443 M CA 1.629 56.884 55.300 -0.074 0.000 1.124 443 M CB 0.121 32.718 32.600 -0.006 0.000 1.353 443 M HN -0.035 nan 8.290 nan 0.000 0.410 444 V N 1.075 120.797 119.914 -0.322 0.000 2.343 444 V HA -0.272 3.864 4.120 0.027 0.000 0.247 444 V C 2.272 178.263 176.094 -0.172 0.000 1.051 444 V CA 1.943 63.930 62.300 -0.521 0.000 1.036 444 V CB -0.908 30.582 31.823 -0.554 0.000 0.654 444 V HN 0.592 nan 8.190 nan 0.000 0.451 445 Q N -0.580 119.152 119.800 -0.114 0.000 2.170 445 Q HA -0.219 4.137 4.340 0.027 0.000 0.203 445 Q C 2.454 178.374 176.000 -0.135 0.000 0.976 445 Q CA 1.506 57.250 55.803 -0.099 0.000 0.858 445 Q CB -0.183 28.516 28.738 -0.065 0.000 0.907 445 Q HN 0.531 nan 8.270 nan 0.000 0.433 446 R N 0.283 120.697 120.500 -0.144 0.000 2.100 446 R HA -0.091 4.266 4.340 0.027 0.000 0.220 446 R C 0.514 176.745 176.300 -0.115 0.000 1.091 446 R CA 1.280 57.274 56.100 -0.176 0.000 0.986 446 R CB 0.425 30.623 30.300 -0.170 0.000 0.888 446 R HN 0.140 nan 8.270 nan 0.000 0.444 447 D N -0.498 119.898 120.400 -0.005 0.000 2.398 447 D HA 0.002 4.658 4.640 0.027 0.000 0.210 447 D C 1.200 177.612 176.300 0.187 0.000 1.094 447 D CA 0.101 54.150 54.000 0.080 0.000 0.839 447 D CB 0.295 41.106 40.800 0.018 0.000 0.963 447 D HN 0.337 nan 8.370 nan 0.000 0.506 448 R N 0.532 121.162 120.500 0.217 0.000 2.293 448 R HA 0.031 4.388 4.340 0.027 0.000 0.219 448 R C 0.613 176.908 176.300 -0.007 0.000 1.091 448 R CA 0.813 57.053 56.100 0.233 0.000 1.004 448 R CB -0.247 30.127 30.300 0.123 0.000 0.865 448 R HN -0.087 nan 8.270 nan 0.000 0.469 449 N N 0.335 118.952 118.700 -0.138 0.000 2.280 449 N HA 0.011 4.768 4.740 0.027 0.000 0.192 449 N C -0.575 174.785 175.510 -0.250 0.000 1.109 449 N CA 0.152 53.089 53.050 -0.187 0.000 0.855 449 N CB 0.152 38.505 38.487 -0.223 0.000 0.974 449 N HN 0.276 nan 8.380 nan 0.000 0.482 450 H N 1.486 120.493 119.070 -0.105 0.000 2.742 450 H HA 0.104 4.676 4.556 0.027 0.000 0.302 450 H C -1.184 173.988 175.328 -0.260 0.000 1.069 450 H CA -1.202 54.765 56.048 -0.134 0.000 1.446 450 H CB 1.497 31.217 29.762 -0.070 0.000 1.462 450 H HN 0.062 nan 8.280 nan 0.000 0.499 451 P HA -0.151 nan 4.420 nan 0.000 0.218 451 P C 1.433 178.248 177.300 -0.809 0.000 1.149 451 P CA 1.096 63.826 63.100 -0.616 0.000 0.817 451 P CB 0.299 31.384 31.700 -1.025 0.000 0.785 452 S N -0.743 114.590 115.700 -0.612 0.000 2.419 452 S HA -0.042 4.445 4.470 0.027 0.000 0.233 452 S C 1.111 175.677 174.600 -0.057 0.000 1.016 452 S CA 0.358 58.377 58.200 -0.302 0.000 0.974 452 S CB -1.487 61.703 63.200 -0.017 0.000 0.786 452 S HN -0.065 nan 8.310 nan 0.000 0.492 453 V N 3.607 123.465 119.914 -0.095 0.000 2.439 453 V HA 0.221 4.357 4.120 0.027 0.000 0.271 453 V C 1.146 177.099 176.094 -0.235 0.000 1.040 453 V CA 0.038 62.249 62.300 -0.148 0.000 1.002 453 V CB 0.425 32.062 31.823 -0.311 0.000 1.000 453 V HN 0.633 nan 8.190 nan 0.000 0.477 454 I N 2.678 123.169 120.570 -0.130 0.000 4.187 454 I HA 0.506 4.692 4.170 0.027 0.000 0.326 454 I C 0.395 176.400 176.117 -0.188 0.000 1.302 454 I CA 0.545 61.778 61.300 -0.112 0.000 1.196 454 I CB 0.476 38.498 38.000 0.037 0.000 1.095 454 I HN 0.324 nan 8.210 nan 0.000 0.411 455 I N 0.069 120.505 120.570 -0.222 0.000 2.752 455 I HA 0.355 4.541 4.170 0.027 0.000 0.295 455 I C -1.582 174.446 176.117 -0.148 0.000 1.219 455 I CA -0.410 60.803 61.300 -0.144 0.000 1.030 455 I CB 2.172 40.180 38.000 0.013 0.000 1.259 455 I HN 0.026 nan 8.210 nan 0.000 0.423 456 W N 3.714 125.064 121.300 0.084 0.000 2.512 456 W HA 0.639 5.313 4.660 0.023 0.000 0.335 456 W C 0.362 176.947 176.519 0.109 0.000 1.088 456 W CA -0.658 56.743 57.345 0.093 0.000 1.236 456 W CB 1.726 31.237 29.460 0.085 0.000 1.307 456 W HN 0.312 nan 8.180 nan 0.000 0.567 457 S N 2.394 118.327 115.700 0.389 0.000 2.513 457 S HA 0.401 4.887 4.470 0.027 0.000 0.299 457 S C 0.230 174.996 174.600 0.276 0.000 1.087 457 S CA -0.710 57.667 58.200 0.295 0.000 1.012 457 S CB 0.899 64.228 63.200 0.215 0.000 1.044 457 S HN 0.583 nan 8.310 nan 0.000 0.485 458 L N 3.914 125.291 121.223 0.257 0.000 2.610 458 L HA 0.325 4.681 4.340 0.027 0.000 0.232 458 L C 1.433 178.364 176.870 0.103 0.000 1.149 458 L CA 0.587 55.493 54.840 0.110 0.000 0.872 458 L CB -1.138 40.870 42.059 -0.084 0.000 0.992 458 L HN 1.012 nan 8.230 nan 0.000 0.447 459 G N -0.027 108.925 108.800 0.253 0.000 2.265 459 G HA2 -0.137 3.839 3.960 0.027 0.000 0.246 459 G HA3 -0.137 3.839 3.960 0.027 0.000 0.246 459 G C -1.570 173.534 174.900 0.340 0.000 1.299 459 G CA -0.498 44.759 45.100 0.262 0.000 1.117 459 G HN 0.180 nan 8.290 nan 0.000 0.485 460 N N 0.143 118.980 118.700 0.229 0.000 2.367 460 N HA 0.473 5.229 4.740 0.027 0.000 0.278 460 N C -0.481 174.984 175.510 -0.075 0.000 1.117 460 N CA 0.179 53.213 53.050 -0.026 0.000 0.867 460 N CB 1.599 39.800 38.487 -0.476 0.000 1.649 460 N HN 0.910 nan 8.380 nan 0.000 0.479 461 E N 0.610 120.675 120.200 -0.225 0.000 2.183 461 E HA -0.173 4.193 4.350 0.027 0.000 0.196 461 E C -0.859 175.664 176.600 -0.129 0.000 1.364 461 E CA 0.787 56.978 56.400 -0.348 0.000 0.700 461 E CB -1.332 27.930 29.700 -0.730 0.000 1.106 461 E HN 0.433 nan 8.360 nan 0.000 0.347 462 S N -0.094 115.672 115.700 0.109 0.000 2.941 462 S HA 0.408 4.895 4.470 0.027 0.000 0.251 462 S C 0.617 175.388 174.600 0.286 0.000 1.029 462 S CA -0.121 58.199 58.200 0.200 0.000 1.062 462 S CB 1.393 64.774 63.200 0.302 0.000 0.977 462 S HN 0.844 nan 8.310 nan 0.000 0.552 463 G N 2.010 110.911 108.800 0.168 0.000 2.601 463 G HA2 -0.265 3.712 3.960 0.027 0.000 0.261 463 G HA3 -0.265 3.712 3.960 0.027 0.000 0.261 463 G C -0.491 174.614 174.900 0.342 0.000 1.289 463 G CA -0.042 45.161 45.100 0.173 0.000 0.920 463 G HN 0.668 nan 8.290 nan 0.000 0.571 464 H N 0.262 119.455 119.070 0.205 0.000 2.823 464 H HA 0.576 5.148 4.556 0.027 0.000 0.332 464 H C 0.284 175.783 175.328 0.285 0.000 0.980 464 H CA -0.198 56.020 56.048 0.283 0.000 1.286 464 H CB 0.799 30.655 29.762 0.157 0.000 1.541 464 H HN 1.076 nan 8.280 nan 0.000 0.521 465 G N 1.485 110.472 108.800 0.312 0.000 2.630 465 G HA2 0.451 4.428 3.960 0.027 0.000 0.296 465 G HA3 0.451 4.428 3.960 0.027 0.000 0.296 465 G C 0.535 175.367 174.900 -0.114 0.000 1.285 465 G CA -0.182 44.889 45.100 -0.048 0.000 0.958 465 G HN 0.687 nan 8.290 nan 0.000 0.479 466 A N 0.344 123.092 122.820 -0.120 0.000 2.024 466 A HA -0.095 4.242 4.320 0.027 0.000 0.220 466 A C 2.126 179.693 177.584 -0.029 0.000 1.164 466 A CA 1.863 53.861 52.037 -0.064 0.000 0.643 466 A CB -0.432 18.542 19.000 -0.044 0.000 0.806 466 A HN 0.541 nan 8.150 nan 0.000 0.451 467 N N -0.140 118.501 118.700 -0.098 0.000 2.205 467 N HA -0.163 4.593 4.740 0.027 0.000 0.186 467 N C 1.374 176.823 175.510 -0.102 0.000 1.015 467 N CA 1.775 54.751 53.050 -0.123 0.000 0.862 467 N CB -0.698 37.677 38.487 -0.187 0.000 0.986 467 N HN 0.795 nan 8.380 nan 0.000 0.429 468 H N 0.432 119.505 119.070 0.004 0.000 2.321 468 H HA -0.032 4.540 4.556 0.027 0.000 0.300 468 H C 1.285 176.687 175.328 0.123 0.000 1.087 468 H CA 1.324 57.380 56.048 0.013 0.000 1.319 468 H CB 0.126 29.907 29.762 0.031 0.000 1.379 468 H HN 0.191 nan 8.280 nan 0.000 0.501 469 D N 0.419 120.989 120.400 0.284 0.000 2.117 469 D HA -0.120 4.537 4.640 0.027 0.000 0.197 469 D C 2.316 178.767 176.300 0.253 0.000 0.987 469 D CA 1.115 55.273 54.000 0.263 0.000 0.829 469 D CB -0.428 40.494 40.800 0.203 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.920 123.837 122.820 0.161 0.000 1.883 470 A HA -0.143 4.193 4.320 0.027 0.000 0.217 470 A C 2.403 180.095 177.584 0.180 0.000 1.186 470 A CA 1.067 53.188 52.037 0.140 0.000 0.624 470 A CB -0.798 18.244 19.000 0.070 0.000 0.822 470 A HN 0.209 nan 8.150 nan 0.000 0.444 471 L N -2.212 119.103 121.223 0.153 0.000 2.156 471 L HA -0.118 4.239 4.340 0.027 0.000 0.208 471 L C 2.558 179.569 176.870 0.235 0.000 1.095 471 L CA 1.375 56.307 54.840 0.154 0.000 0.770 471 L CB -0.646 41.435 42.059 0.037 0.000 0.914 471 L HN 0.613 nan 8.230 nan 0.000 0.439 472 Y N 1.341 121.722 120.300 0.135 0.000 2.128 472 Y HA -0.330 4.233 4.550 0.021 0.000 0.284 472 Y C 2.816 178.796 175.900 0.133 0.000 1.154 472 Y CA 1.808 59.989 58.100 0.135 0.000 1.149 472 Y CB -0.172 38.367 38.460 0.133 0.000 0.976 472 Y HN -0.038 nan 8.280 nan 0.000 0.505 473 R N -0.185 120.432 120.500 0.195 0.000 2.096 473 R HA -0.210 4.146 4.340 0.027 0.000 0.235 473 R C 2.057 178.351 176.300 -0.011 0.000 1.127 473 R CA 1.947 58.070 56.100 0.038 0.000 0.968 473 R CB -1.389 29.011 30.300 0.168 0.000 0.861 473 R HN 0.648 nan 8.270 nan 0.000 0.440 474 W N 0.605 121.861 121.300 -0.074 0.000 2.317 474 W HA -0.197 4.479 4.660 0.027 0.000 0.318 474 W C 1.656 178.083 176.519 -0.154 0.000 1.227 474 W CA 2.213 59.501 57.345 -0.096 0.000 1.269 474 W CB -0.335 29.073 29.460 -0.087 0.000 1.155 474 W HN 0.094 nan 8.180 nan 0.000 0.484 475 I N 0.734 121.320 120.570 0.026 0.000 2.179 475 I HA -0.368 3.818 4.170 0.027 0.000 0.242 475 I C 2.490 178.404 176.117 -0.340 0.000 1.088 475 I CA 1.457 62.605 61.300 -0.254 0.000 1.357 475 I CB -0.781 37.131 38.000 -0.147 0.000 1.051 475 I HN -0.100 nan 8.210 nan 0.000 0.409 476 K N 0.327 120.534 120.400 -0.321 0.000 2.113 476 K HA -0.190 4.147 4.320 0.027 0.000 0.208 476 K C 2.282 178.738 176.600 -0.240 0.000 1.047 476 K CA 1.599 57.717 56.287 -0.283 0.000 0.928 476 K CB -0.594 31.685 32.500 -0.369 0.000 0.716 476 K HN 0.263 nan 8.250 nan 0.000 0.446 477 S N 0.859 116.382 115.700 -0.295 0.000 2.377 477 S HA -0.086 4.401 4.470 0.027 0.000 0.223 477 S C 2.059 176.443 174.600 -0.360 0.000 1.030 477 S CA 1.194 59.225 58.200 -0.282 0.000 0.970 477 S CB -0.147 62.891 63.200 -0.271 0.000 0.830 477 S HN 0.186 nan 8.310 nan 0.000 0.473 478 V N -0.622 118.935 119.914 -0.595 0.000 2.591 478 V HA 0.204 4.340 4.120 0.027 0.000 0.249 478 V C 0.385 176.248 176.094 -0.384 0.000 1.053 478 V CA 1.627 63.565 62.300 -0.603 0.000 1.068 478 V CB -0.449 30.771 31.823 -1.005 0.000 0.689 478 V HN 0.460 nan 8.190 nan 0.000 0.462 479 D N 0.714 120.935 120.400 -0.297 0.000 2.364 479 D HA 0.368 5.025 4.640 0.027 0.000 0.251 479 D C -2.143 174.141 176.300 -0.027 0.000 1.282 479 D CA -1.844 52.091 54.000 -0.108 0.000 0.927 479 D CB 1.689 42.512 40.800 0.038 0.000 1.267 479 D HN 0.209 nan 8.370 nan 0.000 0.531 480 P HA -0.031 nan 4.420 nan 0.000 0.242 480 P C 1.039 178.356 177.300 0.028 0.000 1.197 480 P CA 0.351 63.442 63.100 -0.015 0.000 0.765 480 P CB 0.131 31.817 31.700 -0.024 0.000 0.936 481 S N -1.196 114.530 115.700 0.043 0.000 2.522 481 S HA 0.057 4.543 4.470 0.027 0.000 0.227 481 S C 0.914 175.538 174.600 0.040 0.000 0.986 481 S CA -0.125 58.104 58.200 0.048 0.000 0.929 481 S CB -0.363 62.859 63.200 0.037 0.000 0.769 481 S HN 0.084 nan 8.310 nan 0.000 0.529 482 R N 1.020 121.556 120.500 0.061 0.000 2.686 482 R HA 0.554 4.910 4.340 0.027 0.000 0.283 482 R C -3.183 173.165 176.300 0.079 0.000 0.978 482 R CA -2.296 53.804 56.100 -0.000 0.000 0.897 482 R CB 1.498 31.671 30.300 -0.212 0.000 1.192 482 R HN 0.138 nan 8.270 nan 0.000 0.457 483 P HA 0.085 nan 4.420 nan 0.000 0.272 483 P C -0.858 176.549 177.300 0.179 0.000 1.240 483 P CA -0.362 62.801 63.100 0.105 0.000 0.791 483 P CB 0.649 32.398 31.700 0.081 0.000 0.978 484 V N 2.047 122.096 119.914 0.226 0.000 2.495 484 V HA 0.405 4.541 4.120 0.027 0.000 0.298 484 V C 0.165 176.442 176.094 0.305 0.000 1.031 484 V CA -0.343 62.140 62.300 0.304 0.000 0.871 484 V CB 1.254 33.234 31.823 0.261 0.000 0.988 484 V HN 0.610 nan 8.190 nan 0.000 0.432 485 Q N 3.686 123.646 119.800 0.266 0.000 2.458 485 Q HA 0.821 5.178 4.340 0.027 0.000 0.282 485 Q C -1.836 174.319 176.000 0.259 0.000 1.106 485 Q CA -0.956 54.967 55.803 0.200 0.000 0.814 485 Q CB 3.038 31.843 28.738 0.111 0.000 1.425 485 Q HN 0.626 nan 8.270 nan 0.000 0.437 486 Y N 0.011 120.311 120.300 0.001 0.000 2.357 486 Y HA 0.131 4.696 4.550 0.024 0.000 0.319 486 Y C -0.626 175.203 175.900 -0.118 0.000 1.225 486 Y CA -0.765 57.301 58.100 -0.057 0.000 1.095 486 Y CB 1.973 40.382 38.460 -0.085 0.000 1.302 486 Y HN 0.949 nan 8.280 nan 0.000 0.429 487 E N 3.329 123.014 120.200 -0.858 0.000 2.400 487 E HA 0.146 4.513 4.350 0.027 0.000 0.195 487 E C 0.630 176.784 176.600 -0.743 0.000 1.012 487 E CA 0.699 56.722 56.400 -0.629 0.000 0.875 487 E CB 0.286 29.751 29.700 -0.392 0.000 0.859 487 E HN 0.881 nan 8.360 nan 0.000 0.498 488 G N -0.116 107.825 108.800 -1.431 0.000 2.559 488 G HA2 0.248 4.224 3.960 0.027 0.000 0.235 488 G HA3 0.248 4.224 3.960 0.027 0.000 0.235 488 G C 0.783 175.529 174.900 -0.256 0.000 1.266 488 G CA 0.264 44.961 45.100 -0.672 0.000 0.847 488 G HN 0.332 nan 8.290 nan 0.000 0.583 489 G N -0.636 108.124 108.800 -0.067 0.000 2.160 489 G HA2 0.243 4.220 3.960 0.027 0.000 0.251 489 G HA3 0.243 4.220 3.960 0.027 0.000 0.251 489 G C 1.252 176.171 174.900 0.033 0.000 1.008 489 G CA 0.963 46.091 45.100 0.047 0.000 0.724 489 G HN 2.637 nan 8.290 nan 0.000 0.514 490 G N -1.480 107.329 108.800 0.014 0.000 2.168 490 G HA2 0.424 4.401 3.960 0.027 0.000 0.197 490 G HA3 0.424 4.401 3.960 0.027 0.000 0.197 490 G C 1.064 176.099 174.900 0.225 0.000 0.997 490 G CA 1.235 46.412 45.100 0.128 0.000 0.658 490 G HN 2.376 nan 8.290 nan 0.000 0.513 491 A N -0.364 122.461 122.820 0.008 0.000 3.721 491 A HA -0.143 4.193 4.320 0.027 0.000 0.270 491 A C 1.153 178.666 177.584 -0.119 0.000 1.036 491 A CA 2.633 54.606 52.037 -0.106 0.000 1.102 491 A CB -1.719 17.192 19.000 -0.148 0.000 1.100 491 A HN 2.127 nan 8.150 nan 0.000 0.887 492 D N -0.817 119.607 120.400 0.040 0.000 2.760 492 D HA 0.312 4.969 4.640 0.027 0.000 0.314 492 D C 0.419 176.725 176.300 0.009 0.000 1.464 492 D CA 0.850 54.877 54.000 0.045 0.000 0.797 492 D CB -1.119 39.855 40.800 0.290 0.000 1.149 492 D HN 0.821 nan 8.370 nan 0.000 0.455 493 T N -2.395 112.097 114.554 -0.103 0.000 2.729 493 T HA 0.211 4.578 4.350 0.027 0.000 0.298 493 T C 1.564 176.140 174.700 -0.207 0.000 1.013 493 T CA 0.452 62.435 62.100 -0.194 0.000 0.957 493 T CB 0.697 69.220 68.868 -0.576 0.000 1.130 493 T HN 0.059 nan 8.240 nan 0.000 0.526 494 T N -2.445 111.989 114.554 -0.201 0.000 3.163 494 T HA 0.262 4.629 4.350 0.027 0.000 0.260 494 T C 1.407 175.858 174.700 -0.415 0.000 1.156 494 T CA 0.217 62.204 62.100 -0.188 0.000 1.072 494 T CB -0.473 68.375 68.868 -0.034 0.000 0.937 494 T HN 0.829 nan 8.240 nan 0.000 0.528 495 A N 0.482 123.051 122.820 -0.419 0.000 2.545 495 A HA 0.538 4.875 4.320 0.027 0.000 0.277 495 A C 0.720 178.116 177.584 -0.314 0.000 1.301 495 A CA -0.391 51.365 52.037 -0.468 0.000 0.935 495 A CB 0.127 19.095 19.000 -0.053 0.000 1.093 495 A HN 0.405 nan 8.150 nan 0.000 0.519 496 T N -1.366 113.017 114.554 -0.286 0.000 2.952 496 T HA 0.359 4.725 4.350 0.027 0.000 0.305 496 T C -0.660 174.048 174.700 0.014 0.000 1.064 496 T CA -0.417 61.666 62.100 -0.029 0.000 1.008 496 T CB 1.240 70.087 68.868 -0.034 0.000 1.078 496 T HN 0.081 nan 8.240 nan 0.000 0.459 497 D N 2.885 123.378 120.400 0.155 0.000 2.348 497 D HA 0.261 4.918 4.640 0.027 0.000 0.211 497 D C 0.346 176.674 176.300 0.046 0.000 0.998 497 D CA 0.697 54.773 54.000 0.128 0.000 0.873 497 D CB 0.383 41.292 40.800 0.182 0.000 0.925 497 D HN 0.543 nan 8.370 nan 0.000 0.524 498 I N 1.036 121.615 120.570 0.015 0.000 2.498 498 I HA 0.249 4.435 4.170 0.027 0.000 0.290 498 I C -0.121 175.926 176.117 -0.117 0.000 1.032 498 I CA -0.869 60.405 61.300 -0.043 0.000 1.073 498 I CB 2.758 40.745 38.000 -0.021 0.000 1.251 498 I HN -0.349 nan 8.210 nan 0.000 0.426 499 I N 5.944 126.399 120.570 -0.192 0.000 2.494 499 I HA 0.015 4.202 4.170 0.027 0.000 0.289 499 I C 0.340 176.237 176.117 -0.366 0.000 1.106 499 I CA 0.098 61.180 61.300 -0.363 0.000 1.369 499 I CB 0.106 37.781 38.000 -0.542 0.000 1.410 499 I HN 0.704 nan 8.210 nan 0.000 0.523 500 C N 5.679 124.779 119.300 -0.333 0.000 3.290 500 C HA 0.457 4.934 4.460 0.027 0.000 0.206 500 C C -2.069 172.786 174.990 -0.226 0.000 1.639 500 C CA -2.283 56.600 59.018 -0.225 0.000 1.408 500 C CB -0.972 26.695 27.740 -0.121 0.000 2.197 500 C HN 0.416 nan 8.230 nan 0.000 0.508 501 P HA 0.245 nan 4.420 nan 0.000 0.271 501 P C -0.397 176.854 177.300 -0.082 0.000 1.233 501 P CA 0.546 63.541 63.100 -0.176 0.000 0.789 501 P CB 0.655 32.261 31.700 -0.156 0.000 0.951 502 M N -0.048 119.538 119.600 -0.025 0.000 2.181 502 M HA 0.445 4.942 4.480 0.027 0.000 0.323 502 M C -0.703 175.584 176.300 -0.021 0.000 1.004 502 M CA -0.717 54.468 55.300 -0.192 0.000 0.941 502 M CB 1.239 33.723 32.600 -0.192 0.000 1.579 502 M HN 0.328 nan 8.290 nan 0.000 0.427 503 Y N -0.418 120.065 120.300 0.306 0.000 4.668 503 Y HA -0.231 4.337 4.550 0.029 0.000 0.234 503 Y C 0.597 176.690 175.900 0.321 0.000 1.056 503 Y CA 0.446 58.734 58.100 0.313 0.000 2.025 503 Y CB -2.294 36.331 38.460 0.275 0.000 1.613 503 Y HN 0.975 nan 8.280 nan 0.000 0.653 504 A N 1.225 124.275 122.820 0.383 0.000 2.462 504 A HA 0.512 4.849 4.320 0.027 0.000 0.243 504 A C 0.774 178.596 177.584 0.396 0.000 1.076 504 A CA -0.342 51.928 52.037 0.389 0.000 0.773 504 A CB 0.343 19.619 19.000 0.459 0.000 1.010 504 A HN 0.426 nan 8.150 nan 0.000 0.493 505 R N 1.357 122.017 120.500 0.266 0.000 2.583 505 R HA 0.330 4.686 4.340 0.027 0.000 0.268 505 R C 1.083 177.365 176.300 -0.031 0.000 1.101 505 R CA -0.645 55.541 56.100 0.142 0.000 1.180 505 R CB 0.541 30.892 30.300 0.084 0.000 1.128 505 R HN 0.494 nan 8.270 nan 0.000 0.568 506 V N 0.538 120.276 119.914 -0.292 0.000 2.283 506 V HA -0.196 3.941 4.120 0.027 0.000 0.243 506 V C 0.954 176.939 176.094 -0.182 0.000 1.039 506 V CA 1.821 63.906 62.300 -0.359 0.000 1.016 506 V CB -0.258 31.221 31.823 -0.574 0.000 0.650 506 V HN 0.738 nan 8.190 nan 0.000 0.449 507 D N -1.346 118.978 120.400 -0.127 0.000 2.454 507 D HA 0.107 4.763 4.640 0.027 0.000 0.214 507 D C 0.877 177.163 176.300 -0.023 0.000 1.088 507 D CA 0.070 54.029 54.000 -0.068 0.000 0.855 507 D CB 0.650 41.415 40.800 -0.059 0.000 1.025 507 D HN 0.489 nan 8.370 nan 0.000 0.502 508 E N 1.950 122.140 120.200 -0.016 0.000 2.130 508 E HA 0.092 4.458 4.350 0.027 0.000 0.284 508 E C -0.745 175.857 176.600 0.003 0.000 1.018 508 E CA -0.583 55.816 56.400 -0.002 0.000 0.817 508 E CB 0.805 30.505 29.700 0.001 0.000 1.078 508 E HN -0.155 nan 8.360 nan 0.000 0.396 509 D N 3.672 124.074 120.400 0.004 0.000 2.339 509 D HA 0.101 4.758 4.640 0.027 0.000 0.245 509 D C -0.480 175.708 176.300 -0.186 0.000 1.115 509 D CA 0.254 54.244 54.000 -0.015 0.000 0.917 509 D CB 1.082 41.940 40.800 0.097 0.000 1.192 509 D HN 0.443 nan 8.370 nan 0.000 0.428 510 Q N 1.224 120.785 119.800 -0.399 0.000 2.932 510 Q HA 0.242 4.598 4.340 0.027 0.000 0.248 510 Q C -2.257 173.043 176.000 -1.166 0.000 0.982 510 Q CA -1.486 53.860 55.803 -0.763 0.000 0.730 510 Q CB 2.298 30.590 28.738 -0.743 0.000 1.249 510 Q HN 0.157 nan 8.270 nan 0.000 0.476 511 P HA 0.025 nan 4.420 nan 0.000 0.220 511 P C -0.629 176.333 177.300 -0.564 0.000 1.806 511 P CA -0.146 62.474 63.100 -0.799 0.000 0.976 511 P CB -0.593 30.837 31.700 -0.449 0.000 1.952 512 F N 1.939 121.707 119.950 -0.303 0.000 2.595 512 F HA 0.094 4.637 4.527 0.026 0.000 0.359 512 F C -1.118 174.571 175.800 -0.185 0.000 1.147 512 F CA -2.029 55.855 58.000 -0.195 0.000 1.341 512 F CB -0.717 38.187 39.000 -0.160 0.000 1.104 512 F HN 0.083 nan 8.300 nan 0.000 0.603 513 P HA 0.092 nan 4.420 nan 0.000 0.268 513 P C 0.343 177.656 177.300 0.023 0.000 1.205 513 P CA 1.012 64.125 63.100 0.021 0.000 0.771 513 P CB 1.112 32.825 31.700 0.022 0.000 0.858 514 A N 2.530 125.356 122.820 0.011 0.000 2.617 514 A HA -0.249 4.088 4.320 0.027 0.000 0.236 514 A C 0.677 178.273 177.584 0.019 0.000 0.514 514 A CA 2.142 54.192 52.037 0.021 0.000 1.126 514 A CB -2.641 16.372 19.000 0.022 0.000 1.393 514 A HN 0.688 nan 8.150 nan 0.000 0.693 515 V N -3.355 116.565 119.914 0.009 0.000 2.464 515 V HA 0.551 4.688 4.120 0.027 0.000 0.255 515 V C -2.407 173.674 176.094 -0.023 0.000 0.946 515 V CA -1.255 61.052 62.300 0.011 0.000 0.988 515 V CB 0.699 32.537 31.823 0.026 0.000 1.210 515 V HN 0.473 nan 8.190 nan 0.000 0.523 516 P HA 0.211 nan 4.420 nan 0.000 0.269 516 P C -0.568 176.307 177.300 -0.707 0.000 1.217 516 P CA 0.194 62.891 63.100 -0.672 0.000 0.783 516 P CB 1.019 31.839 31.700 -1.466 0.000 0.898 517 K N 2.061 122.082 120.400 -0.632 0.000 2.478 517 K HA 0.197 4.533 4.320 0.027 0.000 0.236 517 K C -0.413 175.911 176.600 -0.459 0.000 1.021 517 K CA -0.282 55.840 56.287 -0.274 0.000 1.010 517 K CB 0.320 32.927 32.500 0.178 0.000 1.331 517 K HN 0.466 nan 8.250 nan 0.000 0.470 518 W N 1.259 122.225 121.300 -0.556 0.000 2.093 518 W HA 0.049 4.726 4.660 0.028 0.000 0.352 518 W C 1.351 177.857 176.519 -0.021 0.000 1.294 518 W CA -0.437 56.678 57.345 -0.384 0.000 1.290 518 W CB 0.411 29.456 29.460 -0.692 0.000 1.149 518 W HN 0.354 nan 8.180 nan 0.000 0.606 519 S N 2.852 118.698 115.700 0.243 0.000 2.558 519 S HA -0.089 4.398 4.470 0.027 0.000 0.291 519 S C 1.174 175.923 174.600 0.248 0.000 1.306 519 S CA -0.087 58.209 58.200 0.160 0.000 1.056 519 S CB 0.176 63.421 63.200 0.075 0.000 0.836 519 S HN 0.508 nan 8.310 nan 0.000 0.504 520 I N 1.897 122.577 120.570 0.183 0.000 2.361 520 I HA -0.120 4.066 4.170 0.027 0.000 0.251 520 I C 2.029 178.163 176.117 0.029 0.000 1.133 520 I CA 1.195 62.603 61.300 0.179 0.000 1.413 520 I CB -0.435 37.616 38.000 0.085 0.000 1.073 520 I HN 0.594 nan 8.210 nan 0.000 0.424 521 K N 1.653 121.966 120.400 -0.145 0.000 2.057 521 K HA -0.162 4.175 4.320 0.027 0.000 0.206 521 K C 2.306 178.884 176.600 -0.036 0.000 1.050 521 K CA 1.753 57.858 56.287 -0.304 0.000 0.935 521 K CB -0.197 32.068 32.500 -0.392 0.000 0.715 521 K HN 0.381 nan 8.250 nan 0.000 0.439 522 K N 0.103 120.511 120.400 0.014 0.000 2.103 522 K HA -0.167 4.169 4.320 0.027 0.000 0.204 522 K C 1.894 178.512 176.600 0.029 0.000 1.052 522 K CA 0.846 57.130 56.287 -0.005 0.000 0.945 522 K CB -0.086 32.379 32.500 -0.058 0.000 0.722 522 K HN 0.210 nan 8.250 nan 0.000 0.443 523 W N 2.199 123.472 121.300 -0.045 0.000 2.338 523 W HA -0.191 4.481 4.660 0.020 0.000 0.304 523 W C 1.611 178.100 176.519 -0.050 0.000 1.212 523 W CA 1.164 58.489 57.345 -0.034 0.000 1.264 523 W CB -0.604 28.917 29.460 0.102 0.000 1.142 523 W HN 0.100 nan 8.180 nan 0.000 0.512 524 L N 0.784 122.156 121.223 0.248 0.000 2.081 524 L HA -0.254 4.102 4.340 0.027 0.000 0.212 524 L C 2.226 179.157 176.870 0.101 0.000 1.080 524 L CA 2.019 56.938 54.840 0.131 0.000 0.754 524 L CB -1.004 41.119 42.059 0.106 0.000 0.893 524 L HN -0.012 nan 8.230 nan 0.000 0.433 525 S N -1.493 114.252 115.700 0.075 0.000 2.572 525 S HA 0.279 4.765 4.470 0.027 0.000 0.228 525 S C 0.535 175.120 174.600 -0.026 0.000 0.963 525 S CA -0.560 57.657 58.200 0.028 0.000 0.939 525 S CB -0.398 62.818 63.200 0.028 0.000 0.804 525 S HN 0.145 nan 8.310 nan 0.000 0.480 526 L N 1.755 122.952 121.223 -0.044 0.000 2.482 526 L HA 0.257 4.614 4.340 0.027 0.000 0.273 526 L C -2.223 174.610 176.870 -0.062 0.000 1.228 526 L CA -1.875 52.888 54.840 -0.129 0.000 0.827 526 L CB -0.387 41.557 42.059 -0.192 0.000 1.099 526 L HN 0.014 nan 8.230 nan 0.000 0.494 527 P HA -0.031 nan 4.420 nan 0.000 0.258 527 P C 0.716 178.007 177.300 -0.014 0.000 1.172 527 P CA 1.153 64.227 63.100 -0.043 0.000 0.762 527 P CB 0.456 32.126 31.700 -0.051 0.000 0.764 528 G N 1.832 110.631 108.800 -0.002 0.000 2.234 528 G HA2 -0.280 3.697 3.960 0.027 0.000 0.260 528 G HA3 -0.280 3.697 3.960 0.027 0.000 0.260 528 G C 0.304 175.218 174.900 0.024 0.000 0.987 528 G CA 0.184 45.290 45.100 0.011 0.000 0.625 528 G HN 0.613 nan 8.290 nan 0.000 0.532 529 E N 0.913 121.132 120.200 0.032 0.000 2.354 529 E HA 0.613 4.979 4.350 0.027 0.000 0.269 529 E C 1.323 177.945 176.600 0.037 0.000 1.036 529 E CA 0.687 57.117 56.400 0.050 0.000 0.876 529 E CB 0.829 30.583 29.700 0.090 0.000 1.009 529 E HN 0.575 nan 8.360 nan 0.000 0.416 530 T N 0.276 114.849 114.554 0.030 0.000 3.186 530 T HA 0.322 4.689 4.350 0.027 0.000 0.292 530 T C 0.496 175.203 174.700 0.011 0.000 0.915 530 T CA -0.492 61.621 62.100 0.021 0.000 0.902 530 T CB 0.024 68.904 68.868 0.020 0.000 1.192 530 T HN 0.264 nan 8.240 nan 0.000 0.563 531 R N 2.409 122.911 120.500 0.003 0.000 2.707 531 R HA 0.450 4.807 4.340 0.027 0.000 0.270 531 R C -2.444 173.832 176.300 -0.040 0.000 1.083 531 R CA -1.715 54.375 56.100 -0.016 0.000 1.182 531 R CB 0.087 30.369 30.300 -0.030 0.000 1.084 531 R HN 0.247 nan 8.270 nan 0.000 0.528 532 P HA 0.087 nan 4.420 nan 0.000 0.274 532 P C -1.072 176.155 177.300 -0.122 0.000 1.246 532 P CA -0.127 62.928 63.100 -0.074 0.000 0.795 532 P CB 0.717 32.375 31.700 -0.071 0.000 1.006 533 L N 2.049 123.180 121.223 -0.154 0.000 2.376 533 L HA 0.578 4.935 4.340 0.027 0.000 0.275 533 L C -1.057 175.667 176.870 -0.243 0.000 0.987 533 L CA -0.660 54.050 54.840 -0.217 0.000 0.828 533 L CB 0.684 42.609 42.059 -0.224 0.000 1.249 533 L HN 0.231 nan 8.230 nan 0.000 0.409 534 I N 5.676 126.108 120.570 -0.230 0.000 2.500 534 I HA 0.265 4.451 4.170 0.027 0.000 0.286 534 I C -0.797 175.223 176.117 -0.161 0.000 1.063 534 I CA -0.531 60.616 61.300 -0.255 0.000 1.062 534 I CB 2.019 39.929 38.000 -0.150 0.000 1.223 534 I HN 0.473 nan 8.210 nan 0.000 0.435 535 L N 5.536 126.633 121.223 -0.211 0.000 2.455 535 L HA 0.054 4.410 4.340 0.027 0.000 0.272 535 L C 1.514 178.467 176.870 0.139 0.000 1.174 535 L CA -0.158 54.634 54.840 -0.080 0.000 0.869 535 L CB 0.724 42.715 42.059 -0.113 0.000 1.130 535 L HN 0.870 nan 8.230 nan 0.000 0.474 536 C N 0.291 119.654 119.300 0.105 0.000 2.446 536 C HA 0.097 4.573 4.460 0.027 0.000 0.279 536 C C 0.640 175.796 174.990 0.276 0.000 1.366 536 C CA -0.089 59.041 59.018 0.187 0.000 1.763 536 C CB -1.037 26.721 27.740 0.030 0.000 1.929 536 C HN 0.821 nan 8.230 nan 0.000 0.509 537 E N -0.884 119.402 120.200 0.143 0.000 2.321 537 E HA 0.624 4.991 4.350 0.027 0.000 0.278 537 E C -1.363 175.194 176.600 -0.072 0.000 0.902 537 E CA -0.424 56.041 56.400 0.108 0.000 0.758 537 E CB 2.024 31.615 29.700 -0.182 0.000 1.213 537 E HN 0.688 nan 8.360 nan 0.000 0.426 538 Y N -1.245 119.044 120.300 -0.017 0.000 2.689 538 Y HA 0.627 5.194 4.550 0.029 0.000 0.333 538 Y C -0.769 175.310 175.900 0.299 0.000 1.208 538 Y CA -0.943 57.154 58.100 -0.005 0.000 1.055 538 Y CB 0.875 39.171 38.460 -0.273 0.000 1.304 538 Y HN 0.665 nan 8.280 nan 0.000 0.455 539 A N 2.000 124.877 122.820 0.094 0.000 2.183 539 A HA -0.266 4.071 4.320 0.027 0.000 0.278 539 A C -0.431 177.279 177.584 0.208 0.000 1.404 539 A CA 1.080 53.173 52.037 0.093 0.000 0.737 539 A CB -2.381 16.583 19.000 -0.059 0.000 1.172 539 A HN 1.085 nan 8.150 nan 0.000 0.338 540 H N 1.064 120.282 119.070 0.246 0.000 3.145 540 H HA 0.298 4.870 4.556 0.027 0.000 0.263 540 H C 1.053 176.432 175.328 0.084 0.000 1.057 540 H CA 0.796 56.998 56.048 0.258 0.000 1.477 540 H CB 0.398 30.171 29.762 0.018 0.000 1.529 540 H HN 0.802 nan 8.280 nan 0.000 0.508 541 A N 6.702 129.427 122.820 -0.159 0.000 2.840 541 A HA 0.075 4.412 4.320 0.027 0.000 0.269 541 A C 0.846 178.230 177.584 -0.333 0.000 1.439 541 A CA -0.414 51.487 52.037 -0.227 0.000 1.083 541 A CB -0.643 18.227 19.000 -0.217 0.000 1.019 541 A HN 0.796 nan 8.150 nan 0.000 0.607 542 M N 1.387 120.798 119.600 -0.314 0.000 2.143 542 M HA 0.455 4.951 4.480 0.027 0.000 0.348 542 M C 0.979 177.033 176.300 -0.410 0.000 1.375 542 M CA 1.239 56.341 55.300 -0.330 0.000 1.124 542 M CB -0.005 32.487 32.600 -0.180 0.000 1.669 542 M HN 0.832 nan 8.290 nan 0.000 0.469 543 G N 4.190 112.671 108.800 -0.531 0.000 2.564 543 G HA2 -0.335 3.641 3.960 0.027 0.000 0.273 543 G HA3 -0.335 3.641 3.960 0.027 0.000 0.273 543 G C -0.262 174.039 174.900 -0.997 0.000 1.242 543 G CA -0.007 44.634 45.100 -0.766 0.000 0.951 543 G HN 0.850 nan 8.290 nan 0.000 0.564 544 N N 1.130 119.147 118.700 -1.139 0.000 2.466 544 N HA 0.495 5.251 4.740 0.027 0.000 0.263 544 N C 0.065 175.284 175.510 -0.486 0.000 1.178 544 N CA 1.059 53.613 53.050 -0.827 0.000 0.983 544 N CB 0.509 38.543 38.487 -0.756 0.000 1.331 544 N HN 0.850 nan 8.380 nan 0.000 0.500 545 S N 2.185 117.670 115.700 -0.360 0.000 2.998 545 S HA 0.605 5.091 4.470 0.027 0.000 0.321 545 S C -0.050 174.453 174.600 -0.161 0.000 1.171 545 S CA -0.325 57.729 58.200 -0.243 0.000 0.882 545 S CB 0.089 63.151 63.200 -0.230 0.000 1.301 545 S HN 0.352 nan 8.310 nan 0.000 0.629 546 L N 0.016 121.186 121.223 -0.088 0.000 4.793 546 L HA -0.055 4.301 4.340 0.027 0.000 0.404 546 L C 0.547 177.452 176.870 0.057 0.000 1.022 546 L CA 0.923 55.745 54.840 -0.030 0.000 1.242 546 L CB -1.765 40.191 42.059 -0.171 0.000 2.049 546 L HN 0.740 nan 8.230 nan 0.000 0.637 547 G N -0.766 108.034 108.800 0.001 0.000 2.343 547 G HA2 0.476 4.452 3.960 0.027 0.000 0.254 547 G HA3 0.476 4.452 3.960 0.027 0.000 0.254 547 G C 1.227 176.168 174.900 0.068 0.000 1.277 547 G CA 0.226 45.309 45.100 -0.028 0.000 0.909 547 G HN 1.359 nan 8.290 nan 0.000 0.502 548 G N 1.807 110.646 108.800 0.065 0.000 2.175 548 G HA2 -0.312 3.665 3.960 0.027 0.000 0.244 548 G HA3 -0.312 3.665 3.960 0.027 0.000 0.244 548 G C 0.990 176.073 174.900 0.305 0.000 0.982 548 G CA 0.695 45.892 45.100 0.163 0.000 0.641 548 G HN 0.744 nan 8.290 nan 0.000 0.527 549 F N 1.887 121.958 119.950 0.201 0.000 2.095 549 F HA 0.114 4.658 4.527 0.028 0.000 0.298 549 F C 2.709 178.722 175.800 0.355 0.000 1.104 549 F CA 2.602 60.794 58.000 0.321 0.000 1.232 549 F CB -0.507 38.618 39.000 0.209 0.000 0.987 549 F HN 0.351 nan 8.300 nan 0.000 0.475 550 A N -0.393 122.594 122.820 0.278 0.000 2.024 550 A HA -0.255 4.081 4.320 0.027 0.000 0.220 550 A C 2.285 179.892 177.584 0.039 0.000 1.164 550 A CA 1.816 53.947 52.037 0.158 0.000 0.643 550 A CB -0.835 18.264 19.000 0.165 0.000 0.806 550 A HN 0.463 nan 8.150 nan 0.000 0.451 551 K N -1.692 118.716 120.400 0.014 0.000 2.148 551 K HA -0.159 4.177 4.320 0.027 0.000 0.204 551 K C 1.654 178.038 176.600 -0.361 0.000 1.050 551 K CA 1.475 57.687 56.287 -0.125 0.000 0.942 551 K CB -0.287 32.141 32.500 -0.119 0.000 0.724 551 K HN 0.594 nan 8.250 nan 0.000 0.446 552 Y N -0.991 119.039 120.300 -0.450 0.000 2.200 552 Y HA -0.215 4.350 4.550 0.026 0.000 0.290 552 Y C 1.884 176.813 175.900 -1.619 0.000 1.137 552 Y CA 1.390 58.858 58.100 -1.054 0.000 1.163 552 Y CB -0.233 37.573 38.460 -1.090 0.000 0.988 552 Y HN 0.158 nan 8.280 nan 0.000 0.518 553 W N 0.043 120.904 121.300 -0.732 0.000 2.402 553 W HA -0.179 4.499 4.660 0.030 0.000 0.286 553 W C 2.597 178.937 176.519 -0.298 0.000 1.221 553 W CA 1.410 58.452 57.345 -0.506 0.000 1.257 553 W CB -0.511 28.752 29.460 -0.328 0.000 1.120 553 W HN 0.054 nan 8.180 nan 0.000 0.551 554 Q N 0.767 120.478 119.800 -0.148 0.000 2.079 554 Q HA -0.156 4.201 4.340 0.027 0.000 0.200 554 Q C 2.189 178.130 176.000 -0.099 0.000 0.974 554 Q CA 1.971 57.731 55.803 -0.072 0.000 0.840 554 Q CB -0.521 28.189 28.738 -0.046 0.000 0.898 554 Q HN 0.263 nan 8.270 nan 0.000 0.430 555 A N 0.119 122.789 122.820 -0.250 0.000 1.898 555 A HA -0.112 4.225 4.320 0.027 0.000 0.216 555 A C 2.030 179.589 177.584 -0.042 0.000 1.181 555 A CA 1.084 53.015 52.037 -0.176 0.000 0.620 555 A CB -1.086 17.689 19.000 -0.375 0.000 0.819 555 A HN 0.480 nan 8.150 nan 0.000 0.442 556 F N -0.435 119.337 119.950 -0.298 0.000 2.161 556 F HA -0.214 4.330 4.527 0.028 0.000 0.300 556 F C 2.748 178.445 175.800 -0.172 0.000 1.089 556 F CA 1.102 58.897 58.000 -0.341 0.000 1.282 556 F CB -0.152 38.415 39.000 -0.723 0.000 1.010 556 F HN 0.164 nan 8.300 nan 0.000 0.485 557 R N -0.037 120.509 120.500 0.077 0.000 2.153 557 R HA -0.135 4.221 4.340 0.027 0.000 0.218 557 R C 2.098 178.427 176.300 0.048 0.000 1.072 557 R CA 0.900 57.031 56.100 0.051 0.000 0.990 557 R CB -0.310 30.016 30.300 0.043 0.000 0.889 557 R HN 0.374 nan 8.270 nan 0.000 0.452 558 Q N -0.314 119.544 119.800 0.096 0.000 2.212 558 Q HA -0.048 4.309 4.340 0.027 0.000 0.199 558 Q C -0.482 175.530 176.000 0.019 0.000 0.950 558 Q CA 0.875 56.718 55.803 0.066 0.000 0.863 558 Q CB 0.397 29.205 28.738 0.116 0.000 0.944 558 Q HN 0.174 nan 8.270 nan 0.000 0.465 559 Y N 0.150 120.429 120.300 -0.035 0.000 2.353 559 Y HA 0.273 4.838 4.550 0.024 0.000 0.340 559 Y C -1.791 174.080 175.900 -0.048 0.000 0.972 559 Y CA -2.819 55.260 58.100 -0.035 0.000 1.157 559 Y CB 1.424 39.868 38.460 -0.026 0.000 1.157 559 Y HN 0.111 nan 8.280 nan 0.000 0.495 560 P HA -0.181 nan 4.420 nan 0.000 0.214 560 P C 1.151 178.452 177.300 0.001 0.000 1.163 560 P CA 1.939 65.038 63.100 -0.001 0.000 0.889 560 P CB 0.299 31.984 31.700 -0.025 0.000 0.790 561 R N -1.180 119.341 120.500 0.035 0.000 2.316 561 R HA 0.066 4.423 4.340 0.027 0.000 0.202 561 R C 0.423 176.699 176.300 -0.039 0.000 1.029 561 R CA 0.183 56.283 56.100 0.000 0.000 1.018 561 R CB -0.561 29.750 30.300 0.018 0.000 0.888 561 R HN 0.250 nan 8.270 nan 0.000 0.471 562 L N 1.776 122.991 121.223 -0.012 0.000 2.282 562 L HA 0.130 4.486 4.340 0.027 0.000 0.287 562 L C 0.612 177.326 176.870 -0.260 0.000 1.075 562 L CA 0.125 54.902 54.840 -0.105 0.000 0.839 562 L CB 1.150 43.220 42.059 0.019 0.000 1.219 562 L HN 0.057 nan 8.230 nan 0.000 0.434 563 Q N 2.757 122.330 119.800 -0.379 0.000 2.201 563 Q HA 0.310 4.666 4.340 0.027 0.000 0.217 563 Q C 0.830 176.409 176.000 -0.702 0.000 0.860 563 Q CA 0.112 55.660 55.803 -0.424 0.000 0.984 563 Q CB 0.988 29.570 28.738 -0.261 0.000 1.095 563 Q HN 0.955 nan 8.270 nan 0.000 0.477 564 G N -0.370 107.623 108.800 -1.344 0.000 2.416 564 G HA2 0.106 4.082 3.960 0.027 0.000 0.203 564 G HA3 0.106 4.082 3.960 0.027 0.000 0.203 564 G C -0.311 173.721 174.900 -1.446 0.000 1.227 564 G CA -0.753 43.165 45.100 -1.969 0.000 1.041 564 G HN 0.561 nan 8.290 nan 0.000 0.546 565 G N -2.173 106.071 108.800 -0.928 0.000 2.349 565 G HA2 0.639 4.615 3.960 0.027 0.000 0.294 565 G HA3 0.639 4.615 3.960 0.027 0.000 0.294 565 G C -1.820 172.967 174.900 -0.189 0.000 1.380 565 G CA -0.323 44.451 45.100 -0.544 0.000 0.811 565 G HN 1.118 nan 8.290 nan 0.000 0.519 566 F N 0.734 120.928 119.950 0.407 0.000 2.375 566 F HA 0.518 5.060 4.527 0.025 0.000 0.361 566 F C 0.811 176.903 175.800 0.486 0.000 1.117 566 F CA -0.727 57.533 58.000 0.432 0.000 1.037 566 F CB 2.020 41.173 39.000 0.256 0.000 1.192 566 F HN 0.248 nan 8.300 nan 0.000 0.452 567 V N 3.393 123.606 119.914 0.498 0.000 2.872 567 V HA -0.127 4.010 4.120 0.027 0.000 0.307 567 V C -0.251 175.999 176.094 0.260 0.000 1.072 567 V CA -0.275 62.117 62.300 0.154 0.000 1.148 567 V CB 0.839 32.770 31.823 0.180 0.000 0.954 567 V HN 0.756 nan 8.190 nan 0.000 0.490 568 W N 6.447 127.835 121.300 0.147 0.000 2.278 568 W HA 0.463 5.139 4.660 0.027 0.000 0.317 568 W C -0.834 175.705 176.519 0.033 0.000 1.030 568 W CA -0.631 56.838 57.345 0.206 0.000 1.334 568 W CB 1.255 31.004 29.460 0.481 0.000 1.215 568 W HN 0.917 nan 8.180 nan 0.000 0.405 569 D N 2.882 123.005 120.400 -0.463 0.000 2.825 569 D HA 0.079 4.736 4.640 0.027 0.000 0.327 569 D C 0.622 176.733 176.300 -0.315 0.000 1.277 569 D CA -0.554 53.040 54.000 -0.676 0.000 0.950 569 D CB 0.168 39.909 40.800 -1.764 0.000 1.438 569 D HN 0.410 nan 8.370 nan 0.000 0.526 570 W N 0.449 121.478 121.300 -0.451 0.000 2.380 570 W HA 0.113 4.789 4.660 0.027 0.000 0.317 570 W C -0.066 176.306 176.519 -0.246 0.000 1.196 570 W CA 1.210 58.354 57.345 -0.336 0.000 1.307 570 W CB 0.295 29.565 29.460 -0.316 0.000 1.157 570 W HN 0.151 nan 8.180 nan 0.000 0.483 571 V N 2.654 122.386 119.914 -0.303 0.000 2.656 571 V HA 0.234 4.370 4.120 0.027 0.000 0.307 571 V C -0.842 175.117 176.094 -0.226 0.000 1.051 571 V CA -0.813 61.279 62.300 -0.348 0.000 0.893 571 V CB 1.500 33.206 31.823 -0.196 0.000 0.999 571 V HN -0.095 nan 8.190 nan 0.000 0.426 572 D N 4.098 124.378 120.400 -0.199 0.000 2.488 572 D HA 0.109 4.766 4.640 0.027 0.000 0.238 572 D C 0.321 176.481 176.300 -0.234 0.000 1.138 572 D CA 0.566 54.476 54.000 -0.150 0.000 0.873 572 D CB 0.951 41.733 40.800 -0.030 0.000 1.183 572 D HN 0.614 nan 8.370 nan 0.000 0.458 573 Q N 0.982 120.568 119.800 -0.356 0.000 2.938 573 Q HA 0.115 4.472 4.340 0.027 0.000 0.343 573 Q C -0.014 175.908 176.000 -0.131 0.000 1.185 573 Q CA -0.325 55.000 55.803 -0.796 0.000 0.939 573 Q CB 0.032 28.442 28.738 -0.547 0.000 1.480 573 Q HN 0.357 nan 8.270 nan 0.000 0.442 574 S N -0.294 115.456 115.700 0.083 0.000 2.610 574 S HA 0.597 5.083 4.470 0.027 0.000 0.273 574 S C -0.095 174.684 174.600 0.299 0.000 1.274 574 S CA -0.737 57.631 58.200 0.281 0.000 1.023 574 S CB 1.342 64.692 63.200 0.250 0.000 0.962 574 S HN 0.323 nan 8.310 nan 0.000 0.523 575 L N 1.656 122.979 121.223 0.166 0.000 2.342 575 L HA 0.520 4.876 4.340 0.027 0.000 0.271 575 L C -0.474 176.303 176.870 -0.154 0.000 1.008 575 L CA -1.194 53.618 54.840 -0.046 0.000 0.818 575 L CB 1.503 43.412 42.059 -0.250 0.000 1.296 575 L HN 0.555 nan 8.230 nan 0.000 0.427 576 I N 2.510 122.933 120.570 -0.246 0.000 2.416 576 I HA 0.266 4.452 4.170 0.027 0.000 0.288 576 I C 0.159 175.886 176.117 -0.650 0.000 1.051 576 I CA 0.038 61.065 61.300 -0.454 0.000 1.375 576 I CB 0.944 38.695 38.000 -0.415 0.000 1.407 576 I HN 0.581 nan 8.210 nan 0.000 0.516 577 K N 5.296 125.040 120.400 -1.093 0.000 2.352 577 K HA 0.565 4.901 4.320 0.027 0.000 0.240 577 K C -1.515 174.304 176.600 -1.302 0.000 1.017 577 K CA -0.722 54.875 56.287 -1.150 0.000 0.851 577 K CB 2.286 33.829 32.500 -1.595 0.000 1.261 577 K HN 0.218 nan 8.250 nan 0.000 0.451 578 Y N 0.820 120.891 120.300 -0.381 0.000 2.393 578 Y HA 0.136 4.703 4.550 0.027 0.000 0.341 578 Y C 0.199 176.193 175.900 0.156 0.000 0.988 578 Y CA -1.022 57.026 58.100 -0.087 0.000 1.078 578 Y CB 1.226 39.653 38.460 -0.055 0.000 1.203 578 Y HN 0.670 nan 8.280 nan 0.000 0.453 579 D N 0.122 120.767 120.400 0.409 0.000 2.447 579 D HA 0.062 4.718 4.640 0.027 0.000 0.265 579 D C 0.711 177.122 176.300 0.185 0.000 1.250 579 D CA -0.325 53.866 54.000 0.319 0.000 1.046 579 D CB 0.504 41.423 40.800 0.199 0.000 1.095 579 D HN 0.657 nan 8.370 nan 0.000 0.555 580 E N -0.860 119.409 120.200 0.116 0.000 2.147 580 E HA -0.215 4.152 4.350 0.027 0.000 0.199 580 E C 0.995 177.635 176.600 0.066 0.000 1.005 580 E CA 1.272 57.715 56.400 0.071 0.000 0.810 580 E CB -0.156 29.567 29.700 0.039 0.000 0.736 580 E HN 0.387 nan 8.360 nan 0.000 0.460 581 N N -0.657 118.089 118.700 0.076 0.000 2.383 581 N HA 0.011 4.768 4.740 0.027 0.000 0.192 581 N C 0.911 176.469 175.510 0.081 0.000 1.141 581 N CA 0.919 54.008 53.050 0.065 0.000 0.851 581 N CB 1.113 39.635 38.487 0.060 0.000 0.976 581 N HN 0.286 nan 8.380 nan 0.000 0.465 582 G N 0.672 109.544 108.800 0.119 0.000 2.143 582 G HA2 -0.253 3.724 3.960 0.027 0.000 0.249 582 G HA3 -0.253 3.724 3.960 0.027 0.000 0.249 582 G C -0.191 174.855 174.900 0.244 0.000 0.981 582 G CA -0.368 44.812 45.100 0.132 0.000 0.665 582 G HN 0.288 nan 8.290 nan 0.000 0.528 583 N N 1.862 120.702 118.700 0.233 0.000 2.499 583 N HA 0.426 5.183 4.740 0.027 0.000 0.281 583 N C -2.380 173.271 175.510 0.236 0.000 1.098 583 N CA -1.094 52.090 53.050 0.223 0.000 0.979 583 N CB 1.750 40.330 38.487 0.156 0.000 1.121 583 N HN 0.198 nan 8.380 nan 0.000 0.466 584 P HA 0.223 nan 4.420 nan 0.000 0.275 584 P C -0.518 176.744 177.300 -0.064 0.000 1.228 584 P CA -0.259 62.698 63.100 -0.237 0.000 0.786 584 P CB 0.686 32.241 31.700 -0.242 0.000 0.927 585 W N -0.443 120.610 121.300 -0.411 0.000 3.167 585 W HA 0.412 5.088 4.660 0.027 0.000 0.324 585 W C -1.476 174.868 176.519 -0.292 0.000 1.230 585 W CA -1.075 56.043 57.345 -0.377 0.000 1.184 585 W CB 0.387 29.389 29.460 -0.763 0.000 1.414 585 W HN 0.118 nan 8.180 nan 0.000 0.551 586 S N 1.737 117.524 115.700 0.146 0.000 2.481 586 S HA 0.559 5.045 4.470 0.027 0.000 0.276 586 S C 0.203 174.995 174.600 0.319 0.000 1.247 586 S CA -0.164 58.123 58.200 0.146 0.000 1.053 586 S CB 0.729 64.059 63.200 0.218 0.000 0.925 586 S HN 0.606 nan 8.310 nan 0.000 0.491 587 A N 3.038 125.908 122.820 0.084 0.000 2.330 587 A HA 0.913 5.249 4.320 0.027 0.000 0.329 587 A C -0.763 177.076 177.584 0.426 0.000 1.135 587 A CA -0.766 51.364 52.037 0.154 0.000 0.817 587 A CB 0.791 19.591 19.000 -0.332 0.000 1.269 587 A HN 0.834 nan 8.150 nan 0.000 0.469 588 Y N -1.140 119.478 120.300 0.530 0.000 2.876 588 Y HA 0.773 5.339 4.550 0.028 0.000 0.317 588 Y C 0.595 176.838 175.900 0.572 0.000 1.369 588 Y CA -1.378 57.021 58.100 0.498 0.000 1.101 588 Y CB -0.032 38.556 38.460 0.212 0.000 1.346 588 Y HN 0.945 nan 8.280 nan 0.000 0.505 589 G N -0.264 108.915 108.800 0.631 0.000 2.391 589 G HA2 0.375 4.352 3.960 0.027 0.000 0.234 589 G HA3 0.375 4.352 3.960 0.027 0.000 0.234 589 G C 0.959 176.173 174.900 0.523 0.000 1.284 589 G CA 0.370 45.778 45.100 0.512 0.000 0.873 589 G HN 1.995 nan 8.290 nan 0.000 0.549 590 G N 1.772 110.846 108.800 0.456 0.000 2.253 590 G HA2 -0.286 3.691 3.960 0.027 0.000 0.251 590 G HA3 -0.286 3.691 3.960 0.027 0.000 0.251 590 G C 0.921 175.995 174.900 0.290 0.000 0.998 590 G CA 0.720 46.024 45.100 0.339 0.000 0.621 590 G HN 0.646 nan 8.290 nan 0.000 0.524 591 D N -0.243 120.331 120.400 0.291 0.000 2.378 591 D HA 0.138 4.794 4.640 0.027 0.000 0.227 591 D C 1.246 177.362 176.300 -0.307 0.000 1.012 591 D CA 0.463 54.467 54.000 0.006 0.000 0.905 591 D CB -0.187 40.580 40.800 -0.056 0.000 0.895 591 D HN 0.475 nan 8.370 nan 0.000 0.532 592 F N -0.730 119.348 119.950 0.214 0.000 2.668 592 F HA 0.299 4.843 4.527 0.027 0.000 0.301 592 F C 1.768 177.652 175.800 0.140 0.000 1.106 592 F CA -0.197 57.885 58.000 0.136 0.000 1.289 592 F CB 0.757 39.833 39.000 0.126 0.000 1.006 592 F HN -0.051 nan 8.300 nan 0.000 0.535 593 G N 0.351 109.287 108.800 0.226 0.000 2.179 593 G HA2 -0.283 3.694 3.960 0.027 0.000 0.260 593 G HA3 -0.283 3.694 3.960 0.027 0.000 0.260 593 G C -0.178 174.854 174.900 0.220 0.000 0.977 593 G CA 0.163 45.375 45.100 0.187 0.000 0.641 593 G HN 0.410 nan 8.290 nan 0.000 0.533 594 D N 0.472 121.053 120.400 0.302 0.000 2.417 594 D HA 0.482 5.138 4.640 0.027 0.000 0.250 594 D C 0.163 176.583 176.300 0.199 0.000 1.166 594 D CA 1.019 55.188 54.000 0.282 0.000 0.881 594 D CB 1.512 42.544 40.800 0.386 0.000 1.164 594 D HN 0.474 nan 8.370 nan 0.000 0.467 595 T N 1.121 115.762 114.554 0.145 0.000 3.159 595 T HA 0.412 4.779 4.350 0.027 0.000 0.343 595 T C -2.829 171.907 174.700 0.060 0.000 1.364 595 T CA -1.149 61.008 62.100 0.095 0.000 1.102 595 T CB 1.081 70.007 68.868 0.097 0.000 1.263 595 T HN 0.232 nan 8.240 nan 0.000 0.477 596 P HA 0.527 nan 4.420 nan 0.000 0.272 596 P C -0.923 176.365 177.300 -0.021 0.000 1.240 596 P CA -0.320 62.778 63.100 -0.003 0.000 0.791 596 P CB 0.363 32.038 31.700 -0.042 0.000 0.978 597 N N -1.820 116.862 118.700 -0.029 0.000 2.732 597 N HA 0.292 5.049 4.740 0.027 0.000 0.259 597 N C -1.148 174.302 175.510 -0.100 0.000 1.402 597 N CA -0.759 52.248 53.050 -0.072 0.000 0.829 597 N CB 0.766 39.304 38.487 0.085 0.000 1.495 597 N HN 0.072 nan 8.380 nan 0.000 0.511 598 D N -0.297 119.987 120.400 -0.194 0.000 2.643 598 D HA 0.139 4.795 4.640 0.027 0.000 0.244 598 D C 0.467 176.957 176.300 0.316 0.000 1.257 598 D CA -0.129 53.844 54.000 -0.045 0.000 0.831 598 D CB 0.131 40.772 40.800 -0.266 0.000 1.043 598 D HN 0.723 nan 8.370 nan 0.000 0.488 599 R N 0.825 121.517 120.500 0.320 0.000 3.682 599 R HA -0.323 4.034 4.340 0.027 0.000 0.519 599 R C 1.080 177.445 176.300 0.109 0.000 0.241 599 R CA 1.518 57.814 56.100 0.328 0.000 1.619 599 R CB -1.641 28.763 30.300 0.174 0.000 0.923 599 R HN 0.163 nan 8.270 nan 0.000 0.598 600 Q N 1.512 121.042 119.800 -0.451 0.000 2.444 600 Q HA 0.017 4.374 4.340 0.027 0.000 0.206 600 Q C 1.612 177.349 176.000 -0.438 0.000 0.948 600 Q CA 1.206 56.563 55.803 -0.743 0.000 0.946 600 Q CB 0.043 28.096 28.738 -1.142 0.000 1.027 600 Q HN 0.611 nan 8.270 nan 0.000 0.513 601 F N 1.562 121.441 119.950 -0.118 0.000 2.494 601 F HA -0.131 4.412 4.527 0.027 0.000 0.298 601 F C 2.234 177.986 175.800 -0.079 0.000 1.106 601 F CA 1.061 59.062 58.000 0.001 0.000 1.452 601 F CB -0.091 38.975 39.000 0.111 0.000 1.085 601 F HN 0.417 nan 8.300 nan 0.000 0.569 602 C N -1.184 117.864 119.300 -0.420 0.000 2.539 602 C HA 0.203 4.679 4.460 0.027 0.000 0.271 602 C C 0.957 175.758 174.990 -0.314 0.000 1.412 602 C CA -0.478 58.088 59.018 -0.753 0.000 1.729 602 C CB -1.700 25.008 27.740 -1.720 0.000 1.739 602 C HN 0.192 nan 8.230 nan 0.000 0.570 603 M N 2.475 121.946 119.600 -0.214 0.000 2.023 603 M HA 0.291 4.788 4.480 0.027 0.000 0.325 603 M C -0.489 175.710 176.300 -0.168 0.000 0.963 603 M CA 0.312 55.518 55.300 -0.157 0.000 0.928 603 M CB 0.251 32.787 32.600 -0.108 0.000 1.429 603 M HN 0.326 nan 8.290 nan 0.000 0.404 604 N N 0.963 119.576 118.700 -0.145 0.000 2.305 604 N HA 0.215 4.971 4.740 0.027 0.000 0.248 604 N C 0.259 175.607 175.510 -0.270 0.000 1.290 604 N CA -0.543 52.379 53.050 -0.214 0.000 0.873 604 N CB 1.293 39.756 38.487 -0.040 0.000 1.261 604 N HN 0.670 nan 8.380 nan 0.000 0.504 605 G N -0.095 108.553 108.800 -0.252 0.000 2.477 605 G HA2 0.384 4.361 3.960 0.027 0.000 0.304 605 G HA3 0.384 4.361 3.960 0.027 0.000 0.304 605 G C 0.663 175.419 174.900 -0.239 0.000 1.175 605 G CA -0.566 44.363 45.100 -0.284 0.000 0.907 605 G HN 0.095 nan 8.290 nan 0.000 0.509 606 L N -0.280 120.750 121.223 -0.322 0.000 2.395 606 L HA 0.119 4.476 4.340 0.027 0.000 0.218 606 L C 0.831 177.475 176.870 -0.376 0.000 1.130 606 L CA 0.391 55.062 54.840 -0.282 0.000 0.826 606 L CB -0.246 41.636 42.059 -0.295 0.000 0.941 606 L HN 0.384 nan 8.230 nan 0.000 0.451 607 V N -5.227 114.318 119.914 -0.615 0.000 2.962 607 V HA 0.463 4.600 4.120 0.027 0.000 0.313 607 V C -0.260 175.463 176.094 -0.618 0.000 1.099 607 V CA -1.286 60.598 62.300 -0.694 0.000 0.971 607 V CB 1.612 32.952 31.823 -0.805 0.000 1.028 607 V HN -0.144 nan 8.190 nan 0.000 0.430 608 F N 1.604 121.200 119.950 -0.589 0.000 2.485 608 F HA 0.528 5.072 4.527 0.028 0.000 0.327 608 F C 1.939 177.591 175.800 -0.247 0.000 1.203 608 F CA 0.676 58.436 58.000 -0.399 0.000 1.295 608 F CB 0.957 39.732 39.000 -0.374 0.000 1.191 608 F HN 0.793 nan 8.300 nan 0.000 0.588 609 A N 0.841 123.707 122.820 0.077 0.000 2.024 609 A HA -0.222 4.115 4.320 0.027 0.000 0.220 609 A C 1.621 179.174 177.584 -0.052 0.000 1.164 609 A CA 1.850 53.908 52.037 0.036 0.000 0.643 609 A CB -0.932 18.131 19.000 0.106 0.000 0.806 609 A HN 0.795 nan 8.150 nan 0.000 0.451 610 D N -2.933 117.437 120.400 -0.050 0.000 2.328 610 D HA 0.133 4.789 4.640 0.027 0.000 0.226 610 D C 0.683 176.947 176.300 -0.060 0.000 1.066 610 D CA 0.014 53.961 54.000 -0.088 0.000 0.861 610 D CB -0.092 40.656 40.800 -0.087 0.000 0.912 610 D HN 0.211 nan 8.370 nan 0.000 0.521 611 R N -1.896 118.565 120.500 -0.065 0.000 3.728 611 R HA -0.120 4.236 4.340 0.027 0.000 0.478 611 R C -0.290 175.971 176.300 -0.065 0.000 0.932 611 R CA 1.100 57.157 56.100 -0.071 0.000 1.317 611 R CB -3.173 27.132 30.300 0.009 0.000 1.987 611 R HN 0.249 nan 8.270 nan 0.000 0.509 612 T N 2.565 117.097 114.554 -0.036 0.000 2.916 612 T HA 0.321 4.688 4.350 0.027 0.000 0.303 612 T C -2.281 172.406 174.700 -0.022 0.000 1.025 612 T CA -0.658 61.434 62.100 -0.015 0.000 1.142 612 T CB 0.964 69.805 68.868 -0.046 0.000 0.947 612 T HN -0.090 nan 8.240 nan 0.000 0.544 613 P HA 0.246 nan 4.420 nan 0.000 0.275 613 P C -0.317 176.881 177.300 -0.170 0.000 1.228 613 P CA -0.290 62.722 63.100 -0.147 0.000 0.786 613 P CB 0.443 32.108 31.700 -0.058 0.000 0.927 614 H N 2.581 121.492 119.070 -0.265 0.000 2.508 614 H HA 0.150 4.722 4.556 0.027 0.000 0.358 614 H C -1.163 174.067 175.328 -0.162 0.000 1.212 614 H CA -1.300 54.562 56.048 -0.310 0.000 1.356 614 H CB 0.076 29.602 29.762 -0.393 0.000 1.525 614 H HN 0.363 nan 8.280 nan 0.000 0.578 615 P HA -0.157 nan 4.420 nan 0.000 0.220 615 P C 0.918 178.216 177.300 -0.003 0.000 1.148 615 P CA 1.502 64.596 63.100 -0.010 0.000 0.803 615 P CB 0.025 31.719 31.700 -0.010 0.000 0.782 616 A N -0.491 122.322 122.820 -0.012 0.000 2.070 616 A HA -0.167 4.170 4.320 0.027 0.000 0.220 616 A C 2.055 179.594 177.584 -0.075 0.000 1.159 616 A CA 1.103 53.099 52.037 -0.069 0.000 0.656 616 A CB -1.565 17.356 19.000 -0.132 0.000 0.800 616 A HN 0.157 nan 8.150 nan 0.000 0.453 617 L N -0.501 120.704 121.223 -0.030 0.000 2.079 617 L HA -0.135 4.222 4.340 0.027 0.000 0.210 617 L C 2.534 179.453 176.870 0.080 0.000 1.081 617 L CA 2.721 57.581 54.840 0.033 0.000 0.752 617 L CB -1.016 41.064 42.059 0.036 0.000 0.896 617 L HN 0.389 nan 8.230 nan 0.000 0.433 618 T N -1.626 112.977 114.554 0.082 0.000 2.788 618 T HA -0.214 4.152 4.350 0.027 0.000 0.268 618 T C 1.820 176.632 174.700 0.187 0.000 1.044 618 T CA 1.484 63.685 62.100 0.169 0.000 1.139 618 T CB -0.143 68.799 68.868 0.123 0.000 0.867 618 T HN 0.477 nan 8.240 nan 0.000 0.454 619 E N 0.839 121.089 120.200 0.084 0.000 2.077 619 E HA 0.000 4.367 4.350 0.027 0.000 0.193 619 E C 2.185 178.796 176.600 0.019 0.000 0.989 619 E CA 1.520 57.971 56.400 0.085 0.000 0.800 619 E CB -0.676 29.037 29.700 0.022 0.000 0.746 619 E HN 0.550 nan 8.360 nan 0.000 0.452 620 A N 0.845 123.567 122.820 -0.163 0.000 1.902 620 A HA -0.213 4.124 4.320 0.027 0.000 0.217 620 A C 2.172 179.638 177.584 -0.196 0.000 1.181 620 A CA 1.894 53.779 52.037 -0.252 0.000 0.623 620 A CB -0.620 18.225 19.000 -0.258 0.000 0.818 620 A HN 0.265 nan 8.150 nan 0.000 0.443 621 K N -1.193 119.178 120.400 -0.049 0.000 2.032 621 K HA -0.284 4.052 4.320 0.027 0.000 0.209 621 K C 2.056 178.555 176.600 -0.167 0.000 1.048 621 K CA 2.012 58.279 56.287 -0.034 0.000 0.927 621 K CB -0.345 32.291 32.500 0.226 0.000 0.712 621 K HN 0.654 nan 8.250 nan 0.000 0.441 622 H N 0.333 119.227 119.070 -0.293 0.000 2.357 622 H HA -0.022 4.551 4.556 0.028 0.000 0.301 622 H C 1.963 177.011 175.328 -0.467 0.000 1.082 622 H CA 1.752 57.423 56.048 -0.628 0.000 1.342 622 H CB 0.121 29.545 29.762 -0.563 0.000 1.389 622 H HN 0.239 nan 8.280 nan 0.000 0.511 623 Q N 0.233 119.784 119.800 -0.416 0.000 2.224 623 Q HA -0.105 4.251 4.340 0.027 0.000 0.203 623 Q C 1.568 177.024 176.000 -0.907 0.000 0.970 623 Q CA 1.243 56.720 55.803 -0.543 0.000 0.865 623 Q CB 0.022 28.600 28.738 -0.266 0.000 0.922 623 Q HN 0.711 nan 8.270 nan 0.000 0.445 624 Q N 0.183 119.406 119.800 -0.962 0.000 2.280 624 Q HA 0.074 4.430 4.340 0.027 0.000 0.202 624 Q C -0.062 175.381 176.000 -0.928 0.000 0.903 624 Q CA -0.219 54.868 55.803 -1.192 0.000 0.948 624 Q CB 0.356 28.433 28.738 -1.100 0.000 1.058 624 Q HN 0.374 nan 8.270 nan 0.000 0.493 625 Q N -0.541 118.862 119.800 -0.662 0.000 2.428 625 Q HA -0.035 4.321 4.340 0.027 0.000 0.276 625 Q C -0.113 175.517 176.000 -0.618 0.000 1.059 625 Q CA 0.417 55.958 55.803 -0.436 0.000 0.923 625 Q CB 0.460 29.028 28.738 -0.283 0.000 1.283 625 Q HN 0.288 nan 8.270 nan 0.000 0.447 626 F N 0.016 119.737 119.950 -0.382 0.000 2.727 626 F HA 0.221 4.764 4.527 0.027 0.000 0.302 626 F C -0.201 175.019 175.800 -0.968 0.000 1.097 626 F CA -0.054 57.478 58.000 -0.780 0.000 1.330 626 F CB 0.541 38.743 39.000 -1.330 0.000 1.084 626 F HN 0.289 nan 8.300 nan 0.000 0.578 627 F N 0.401 120.262 119.950 -0.149 0.000 2.507 627 F HA 0.503 5.048 4.527 0.029 0.000 0.325 627 F C -0.040 175.398 175.800 -0.602 0.000 1.116 627 F CA -1.102 56.700 58.000 -0.330 0.000 0.930 627 F CB 1.220 40.052 39.000 -0.281 0.000 1.146 627 F HN -0.324 nan 8.300 nan 0.000 0.447 628 Q N 2.950 122.471 119.800 -0.464 0.000 2.306 628 Q HA 0.593 4.949 4.340 0.027 0.000 0.265 628 Q C -1.331 174.357 176.000 -0.520 0.000 1.022 628 Q CA -0.640 54.931 55.803 -0.387 0.000 0.853 628 Q CB 2.770 31.409 28.738 -0.165 0.000 1.327 628 Q HN 0.560 nan 8.270 nan 0.000 0.449 629 F N 0.206 120.277 119.950 0.201 0.000 2.576 629 F HA 0.591 5.135 4.527 0.028 0.000 0.313 629 F C 0.326 176.370 175.800 0.406 0.000 1.078 629 F CA -0.810 57.390 58.000 0.333 0.000 0.921 629 F CB 2.070 41.389 39.000 0.531 0.000 1.232 629 F HN 0.145 nan 8.300 nan 0.000 0.459 630 R N 1.518 122.324 120.500 0.509 0.000 2.795 630 R HA 0.761 5.118 4.340 0.027 0.000 0.275 630 R C -2.019 174.329 176.300 0.080 0.000 0.981 630 R CA -1.297 55.017 56.100 0.357 0.000 0.917 630 R CB 2.974 33.386 30.300 0.186 0.000 1.202 630 R HN 0.543 nan 8.270 nan 0.000 0.469 631 L N 0.291 121.408 121.223 -0.177 0.000 2.385 631 L HA 0.548 4.905 4.340 0.027 0.000 0.273 631 L C -1.133 175.571 176.870 -0.277 0.000 0.990 631 L CA 0.004 54.533 54.840 -0.517 0.000 0.821 631 L CB 2.231 43.558 42.059 -1.220 0.000 1.279 631 L HN 0.546 nan 8.230 nan 0.000 0.412 632 S N 3.508 119.079 115.700 -0.215 0.000 2.779 632 S HA 0.710 5.196 4.470 0.027 0.000 0.293 632 S C 0.280 174.794 174.600 -0.143 0.000 1.150 632 S CA 0.293 58.411 58.200 -0.135 0.000 1.057 632 S CB 0.457 63.610 63.200 -0.078 0.000 1.021 632 S HN 1.566 nan 8.310 nan 0.000 0.485 633 G N 4.545 113.262 108.800 -0.138 0.000 2.595 633 G HA2 -0.315 3.662 3.960 0.027 0.000 0.297 633 G HA3 -0.315 3.662 3.960 0.027 0.000 0.297 633 G C 0.146 174.941 174.900 -0.175 0.000 1.181 633 G CA 0.864 45.887 45.100 -0.129 0.000 0.963 633 G HN 1.134 nan 8.290 nan 0.000 0.541 634 Q N 0.759 120.454 119.800 -0.175 0.000 2.135 634 Q HA 0.446 4.803 4.340 0.027 0.000 0.231 634 Q C 0.273 176.141 176.000 -0.220 0.000 0.817 634 Q CA 0.752 56.427 55.803 -0.215 0.000 1.073 634 Q CB -0.578 28.046 28.738 -0.189 0.000 1.176 634 Q HN 0.646 nan 8.270 nan 0.000 0.478 635 T N 1.213 115.650 114.554 -0.195 0.000 2.758 635 T HA 0.657 5.023 4.350 0.027 0.000 0.285 635 T C -0.162 174.429 174.700 -0.182 0.000 0.981 635 T CA -0.379 61.627 62.100 -0.157 0.000 0.965 635 T CB 0.844 69.651 68.868 -0.102 0.000 0.927 635 T HN 0.183 nan 8.240 nan 0.000 0.448 636 I N 2.773 123.254 120.570 -0.148 0.000 2.331 636 I HA 0.288 4.475 4.170 0.027 0.000 0.292 636 I C 0.552 176.697 176.117 0.047 0.000 0.998 636 I CA -0.425 60.822 61.300 -0.087 0.000 1.267 636 I CB 1.199 39.183 38.000 -0.026 0.000 1.386 636 I HN 0.592 nan 8.210 nan 0.000 0.476 637 E N 6.454 126.714 120.200 0.100 0.000 2.133 637 E HA 0.480 4.846 4.350 0.027 0.000 0.274 637 E C -1.560 175.163 176.600 0.205 0.000 0.930 637 E CA -0.607 55.865 56.400 0.120 0.000 0.770 637 E CB 1.492 31.241 29.700 0.081 0.000 1.104 637 E HN 0.356 nan 8.360 nan 0.000 0.403 638 V N 4.016 124.034 119.914 0.172 0.000 2.398 638 V HA 0.346 4.483 4.120 0.027 0.000 0.286 638 V C -0.036 176.095 176.094 0.063 0.000 1.026 638 V CA -0.579 61.788 62.300 0.112 0.000 0.868 638 V CB 1.773 33.707 31.823 0.186 0.000 0.982 638 V HN 0.705 nan 8.190 nan 0.000 0.443 639 T N 3.142 117.688 114.554 -0.013 0.000 2.829 639 T HA 0.364 4.731 4.350 0.027 0.000 0.280 639 T C -0.088 174.618 174.700 0.011 0.000 0.999 639 T CA -0.267 61.836 62.100 0.006 0.000 0.983 639 T CB 1.623 70.468 68.868 -0.039 0.000 0.968 639 T HN 0.683 nan 8.240 nan 0.000 0.446 640 S N 1.542 117.259 115.700 0.028 0.000 2.537 640 S HA 0.217 4.703 4.470 0.027 0.000 0.275 640 S C 0.845 175.317 174.600 -0.213 0.000 1.272 640 S CA -0.544 57.595 58.200 -0.101 0.000 1.050 640 S CB 0.609 63.824 63.200 0.024 0.000 0.961 640 S HN 0.723 nan 8.310 nan 0.000 0.496 641 E N 2.768 122.730 120.200 -0.395 0.000 2.474 641 E HA 0.079 4.445 4.350 0.027 0.000 0.195 641 E C -0.677 175.723 176.600 -0.333 0.000 1.039 641 E CA -0.051 56.146 56.400 -0.339 0.000 0.881 641 E CB 0.263 29.751 29.700 -0.353 0.000 0.970 641 E HN 0.690 nan 8.360 nan 0.000 0.486 642 Y N 0.480 120.645 120.300 -0.226 0.000 2.397 642 Y HA -0.004 4.562 4.550 0.027 0.000 0.335 642 Y C 1.457 177.174 175.900 -0.305 0.000 1.213 642 Y CA -0.013 57.951 58.100 -0.227 0.000 1.391 642 Y CB 0.764 39.078 38.460 -0.244 0.000 1.293 642 Y HN -0.052 nan 8.280 nan 0.000 0.557 643 L N 1.175 122.209 121.223 -0.314 0.000 2.408 643 L HA 0.051 4.407 4.340 0.027 0.000 0.215 643 L C 0.717 177.107 176.870 -0.800 0.000 1.081 643 L CA 0.708 55.097 54.840 -0.753 0.000 0.840 643 L CB 0.008 41.196 42.059 -1.451 0.000 1.002 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.422 119.533 119.950 0.008 0.000 2.699 644 F HA 0.206 4.748 4.527 0.026 0.000 0.295 644 F C 1.245 177.024 175.800 -0.035 0.000 1.052 644 F CA -0.779 57.202 58.000 -0.032 0.000 1.239 644 F CB 0.387 39.352 39.000 -0.059 0.000 1.018 644 F HN -0.130 nan 8.300 nan 0.000 0.627 645 R N 0.209 120.751 120.500 0.070 0.000 2.668 645 R HA 0.423 4.779 4.340 0.027 0.000 0.279 645 R C -0.642 175.647 176.300 -0.018 0.000 0.976 645 R CA -0.621 55.478 56.100 -0.001 0.000 0.978 645 R CB 0.893 31.090 30.300 -0.172 0.000 1.133 645 R HN 0.085 nan 8.270 nan 0.000 0.484 646 H N 0.349 119.414 119.070 -0.007 0.000 2.509 646 H HA 0.068 4.640 4.556 0.028 0.000 0.359 646 H C 0.174 175.530 175.328 0.046 0.000 1.253 646 H CA 0.144 56.218 56.048 0.045 0.000 1.373 646 H CB 1.718 31.510 29.762 0.051 0.000 1.555 646 H HN 0.770 nan 8.280 nan 0.000 0.586 647 S N 0.835 116.686 115.700 0.251 0.000 4.183 647 S HA -0.048 4.438 4.470 0.027 0.000 0.195 647 S C 0.269 174.971 174.600 0.171 0.000 1.421 647 S CA -0.614 57.740 58.200 0.256 0.000 0.920 647 S CB -0.837 62.565 63.200 0.336 0.000 1.525 647 S HN 0.571 nan 8.310 nan 0.000 0.447 648 D N 0.665 121.140 120.400 0.125 0.000 2.319 648 D HA 0.056 4.712 4.640 0.027 0.000 0.230 648 D C 0.363 176.700 176.300 0.062 0.000 1.094 648 D CA -0.184 53.867 54.000 0.085 0.000 0.856 648 D CB -0.312 40.524 40.800 0.061 0.000 0.915 648 D HN 0.489 nan 8.370 nan 0.000 0.517 649 N N 0.048 118.794 118.700 0.077 0.000 2.636 649 N HA 0.162 4.918 4.740 0.027 0.000 0.287 649 N C -1.565 173.997 175.510 0.087 0.000 1.817 649 N CA -0.204 52.885 53.050 0.065 0.000 0.842 649 N CB 0.305 38.820 38.487 0.046 0.000 1.353 649 N HN -0.041 nan 8.380 nan 0.000 0.500 650 E N -0.191 120.054 120.200 0.075 0.000 2.335 650 E HA 0.520 4.886 4.350 0.027 0.000 0.280 650 E C -1.526 175.095 176.600 0.035 0.000 0.918 650 E CA -0.697 55.734 56.400 0.051 0.000 0.765 650 E CB 1.884 31.595 29.700 0.019 0.000 1.218 650 E HN 0.259 nan 8.360 nan 0.000 0.425 651 L N -0.148 121.093 121.223 0.029 0.000 2.376 651 L HA 0.756 5.112 4.340 0.027 0.000 0.258 651 L C -1.516 175.404 176.870 0.083 0.000 1.013 651 L CA -1.110 53.774 54.840 0.074 0.000 0.822 651 L CB 0.963 43.097 42.059 0.125 0.000 1.388 651 L HN 0.474 nan 8.230 nan 0.000 0.413 652 L N 1.722 123.040 121.223 0.159 0.000 2.272 652 L HA 0.615 4.971 4.340 0.027 0.000 0.289 652 L C -0.934 176.141 176.870 0.342 0.000 1.032 652 L CA 0.151 55.118 54.840 0.211 0.000 0.810 652 L CB 0.459 42.656 42.059 0.231 0.000 1.205 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.113 124.251 119.070 0.113 0.000 2.467 653 H HA 0.502 5.075 4.556 0.028 0.000 0.326 653 H C -1.000 174.408 175.328 0.132 0.000 1.094 653 H CA -0.618 55.458 56.048 0.045 0.000 1.253 653 H CB 0.772 30.523 29.762 -0.018 0.000 1.439 653 H HN 0.619 nan 8.280 nan 0.000 0.479 654 W N 3.867 125.247 121.300 0.135 0.000 2.819 654 W HA 0.583 5.259 4.660 0.027 0.000 0.337 654 W C -1.481 175.082 176.519 0.072 0.000 1.077 654 W CA -1.412 55.996 57.345 0.104 0.000 1.226 654 W CB 1.281 30.793 29.460 0.087 0.000 1.419 654 W HN 0.601 nan 8.180 nan 0.000 0.502 655 M N 3.523 123.329 119.600 0.345 0.000 2.324 655 M HA 0.622 5.118 4.480 0.027 0.000 0.288 655 M C -2.506 174.005 176.300 0.350 0.000 1.097 655 M CA -0.413 54.989 55.300 0.170 0.000 0.928 655 M CB 2.271 34.890 32.600 0.032 0.000 1.648 655 M HN 0.165 nan 8.290 nan 0.000 0.460 656 V N 4.013 124.134 119.914 0.345 0.000 2.417 656 V HA 0.984 5.120 4.120 0.027 0.000 0.291 656 V C -0.342 175.875 176.094 0.206 0.000 1.024 656 V CA -0.255 62.234 62.300 0.315 0.000 0.861 656 V CB 1.260 33.286 31.823 0.338 0.000 0.985 656 V HN 1.040 nan 8.190 nan 0.000 0.436 657 A N 4.648 127.601 122.820 0.222 0.000 2.414 657 A HA 0.859 5.195 4.320 0.027 0.000 0.306 657 A C -1.300 176.431 177.584 0.245 0.000 1.054 657 A CA -0.638 51.499 52.037 0.166 0.000 0.724 657 A CB 1.641 20.681 19.000 0.068 0.000 1.267 657 A HN 0.832 nan 8.150 nan 0.000 0.418 658 L N 1.852 123.178 121.223 0.171 0.000 2.259 658 L HA 0.451 4.808 4.340 0.027 0.000 0.288 658 L C -0.477 176.516 176.870 0.206 0.000 1.051 658 L CA 0.285 55.240 54.840 0.191 0.000 0.824 658 L CB -0.095 42.031 42.059 0.112 0.000 1.206 658 L HN 0.749 nan 8.230 nan 0.000 0.429 659 D N 4.804 125.424 120.400 0.368 0.000 2.692 659 D HA -0.220 4.437 4.640 0.027 0.000 0.233 659 D C 1.172 177.519 176.300 0.079 0.000 1.172 659 D CA 1.433 55.631 54.000 0.329 0.000 0.636 659 D CB -1.036 39.953 40.800 0.314 0.000 1.028 659 D HN 1.161 nan 8.370 nan 0.000 0.419 660 G N -0.680 108.100 108.800 -0.033 0.000 2.199 660 G HA2 -0.350 3.626 3.960 0.027 0.000 0.254 660 G HA3 -0.350 3.626 3.960 0.027 0.000 0.254 660 G C 0.211 175.022 174.900 -0.148 0.000 0.982 660 G CA 0.436 45.403 45.100 -0.222 0.000 0.632 660 G HN 0.474 nan 8.290 nan 0.000 0.529 661 K N 1.978 122.350 120.400 -0.048 0.000 2.264 661 K HA 0.438 4.775 4.320 0.027 0.000 0.277 661 K C -2.723 173.870 176.600 -0.012 0.000 1.067 661 K CA -1.810 54.456 56.287 -0.035 0.000 0.900 661 K CB 1.956 34.457 32.500 0.002 0.000 1.124 661 K HN 0.084 nan 8.250 nan 0.000 0.469 662 P HA 0.044 nan 4.420 nan 0.000 0.270 662 P C 0.052 177.352 177.300 0.000 0.000 1.242 662 P CA 0.062 63.148 63.100 -0.024 0.000 0.768 662 P CB 0.688 32.350 31.700 -0.063 0.000 0.820 663 L N 1.952 123.198 121.223 0.037 0.000 2.388 663 L HA 0.418 4.775 4.340 0.027 0.000 0.209 663 L C 1.050 177.956 176.870 0.060 0.000 1.061 663 L CA 0.523 55.395 54.840 0.053 0.000 0.834 663 L CB 0.051 42.158 42.059 0.080 0.000 1.029 663 L HN 0.393 nan 8.230 nan 0.000 0.473 664 A N -0.659 122.207 122.820 0.077 0.000 2.586 664 A HA 0.654 4.991 4.320 0.027 0.000 0.291 664 A C -0.978 176.522 177.584 -0.140 0.000 1.062 664 A CA 0.047 52.115 52.037 0.052 0.000 0.666 664 A CB 1.556 20.722 19.000 0.276 0.000 1.281 664 A HN 0.043 nan 8.150 nan 0.000 0.421 665 S N -0.636 114.741 115.700 -0.539 0.000 2.615 665 S HA 0.962 5.449 4.470 0.027 0.000 0.269 665 S C -0.284 173.392 174.600 -1.540 0.000 1.161 665 S CA 0.116 57.606 58.200 -1.184 0.000 0.817 665 S CB 1.119 63.964 63.200 -0.593 0.000 1.131 665 S HN 2.688 nan 8.310 nan 0.000 0.467 666 G N 0.078 107.744 108.800 -1.890 0.000 2.495 666 G HA2 0.625 4.602 3.960 0.027 0.000 0.294 666 G HA3 0.625 4.602 3.960 0.027 0.000 0.294 666 G C -2.385 172.068 174.900 -0.745 0.000 1.397 666 G CA -0.782 43.666 45.100 -1.086 0.000 0.790 666 G HN 1.013 nan 8.290 nan 0.000 0.486 667 E N -1.237 118.822 120.200 -0.235 0.000 2.292 667 E HA 0.671 5.038 4.350 0.027 0.000 0.272 667 E C -1.367 175.326 176.600 0.155 0.000 0.881 667 E CA -1.027 55.359 56.400 -0.024 0.000 0.754 667 E CB 3.055 32.651 29.700 -0.172 0.000 1.201 667 E HN 0.407 nan 8.360 nan 0.000 0.425 668 V N 2.245 122.293 119.914 0.223 0.000 2.686 668 V HA 0.460 4.596 4.120 0.027 0.000 0.306 668 V C -2.387 173.798 176.094 0.153 0.000 1.065 668 V CA -2.192 60.219 62.300 0.185 0.000 0.894 668 V CB 2.003 33.954 31.823 0.214 0.000 1.004 668 V HN 0.670 nan 8.190 nan 0.000 0.424 669 P HA 0.220 nan 4.420 nan 0.000 0.268 669 P C -0.867 176.491 177.300 0.097 0.000 1.205 669 P CA 0.046 63.206 63.100 0.100 0.000 0.771 669 P CB 0.684 32.433 31.700 0.082 0.000 0.858 670 L N 2.957 124.229 121.223 0.082 0.000 2.307 670 L HA 0.378 4.735 4.340 0.027 0.000 0.284 670 L C 0.194 177.124 176.870 0.100 0.000 1.023 670 L CA -0.139 54.745 54.840 0.074 0.000 0.810 670 L CB 1.323 43.384 42.059 0.004 0.000 1.231 670 L HN 0.309 nan 8.230 nan 0.000 0.423 671 D N 3.175 123.650 120.400 0.124 0.000 2.405 671 D HA 0.353 5.009 4.640 0.027 0.000 0.264 671 D C -1.288 175.131 176.300 0.198 0.000 1.240 671 D CA -0.132 53.967 54.000 0.165 0.000 0.893 671 D CB 1.156 42.035 40.800 0.132 0.000 1.198 671 D HN 0.046 nan 8.370 nan 0.000 0.514 672 V N 1.615 121.660 119.914 0.218 0.000 2.487 672 V HA 0.858 4.995 4.120 0.027 0.000 0.298 672 V C 0.854 176.933 176.094 -0.024 0.000 1.028 672 V CA -1.185 61.210 62.300 0.158 0.000 0.860 672 V CB 1.187 33.142 31.823 0.219 0.000 0.991 672 V HN 0.554 nan 8.190 nan 0.000 0.427 673 A N 6.811 129.514 122.820 -0.195 0.000 2.296 673 A HA 0.734 5.070 4.320 0.027 0.000 0.264 673 A C -2.315 175.064 177.584 -0.342 0.000 1.097 673 A CA -1.497 50.077 52.037 -0.773 0.000 0.811 673 A CB -0.124 18.645 19.000 -0.385 0.000 1.072 673 A HN 0.678 nan 8.150 nan 0.000 0.495 674 P HA 0.058 nan 4.420 nan 0.000 0.267 674 P C -0.587 176.641 177.300 -0.121 0.000 1.205 674 P CA 0.520 63.530 63.100 -0.149 0.000 0.765 674 P CB 0.720 32.342 31.700 -0.132 0.000 0.828 675 Q N -0.941 118.797 119.800 -0.103 0.000 2.362 675 Q HA -0.166 4.190 4.340 0.027 0.000 0.220 675 Q C 0.746 176.713 176.000 -0.056 0.000 0.713 675 Q CA 1.810 57.559 55.803 -0.089 0.000 1.345 675 Q CB -2.608 26.075 28.738 -0.091 0.000 1.570 675 Q HN 0.747 nan 8.270 nan 0.000 0.701 676 G N 0.146 108.918 108.800 -0.046 0.000 2.537 676 G HA2 0.566 4.543 3.960 0.027 0.000 0.297 676 G HA3 0.566 4.543 3.960 0.027 0.000 0.297 676 G C -0.198 174.714 174.900 0.019 0.000 1.310 676 G CA -0.545 44.547 45.100 -0.013 0.000 1.027 676 G HN 0.001 nan 8.290 nan 0.000 0.505 677 K N -0.880 119.541 120.400 0.035 0.000 2.444 677 K HA 0.497 4.833 4.320 0.027 0.000 0.252 677 K C -1.026 175.615 176.600 0.069 0.000 0.993 677 K CA -0.666 55.652 56.287 0.053 0.000 0.847 677 K CB 2.574 35.097 32.500 0.039 0.000 1.340 677 K HN 0.529 nan 8.250 nan 0.000 0.446 678 Q N 2.066 121.916 119.800 0.083 0.000 2.315 678 Q HA 0.389 4.745 4.340 0.027 0.000 0.273 678 Q C -1.672 174.375 176.000 0.079 0.000 1.053 678 Q CA -0.640 55.215 55.803 0.085 0.000 0.817 678 Q CB 1.542 30.342 28.738 0.104 0.000 1.326 678 Q HN 0.523 nan 8.270 nan 0.000 0.423 679 L N 4.988 126.246 121.223 0.059 0.000 2.289 679 L HA 0.558 4.915 4.340 0.027 0.000 0.285 679 L C -0.539 176.352 176.870 0.036 0.000 1.049 679 L CA -0.606 54.259 54.840 0.041 0.000 0.804 679 L CB 1.178 43.250 42.059 0.022 0.000 1.195 679 L HN 0.605 nan 8.230 nan 0.000 0.428 680 I N 3.051 123.634 120.570 0.022 0.000 2.447 680 I HA 0.266 4.452 4.170 0.027 0.000 0.287 680 I C -0.315 175.770 176.117 -0.054 0.000 1.023 680 I CA -0.422 60.883 61.300 0.007 0.000 1.083 680 I CB 2.219 40.242 38.000 0.038 0.000 1.245 680 I HN 0.566 nan 8.210 nan 0.000 0.434 681 E N 6.475 126.638 120.200 -0.061 0.000 2.156 681 E HA 0.456 4.823 4.350 0.027 0.000 0.279 681 E C -0.844 175.656 176.600 -0.167 0.000 0.965 681 E CA -0.719 55.617 56.400 -0.107 0.000 0.789 681 E CB 1.946 31.601 29.700 -0.075 0.000 1.098 681 E HN 0.440 nan 8.360 nan 0.000 0.397 682 L N 4.861 125.920 121.223 -0.274 0.000 2.439 682 L HA 0.214 4.570 4.340 0.027 0.000 0.269 682 L C -1.842 174.872 176.870 -0.259 0.000 1.179 682 L CA -1.742 52.843 54.840 -0.425 0.000 0.828 682 L CB -0.089 41.578 42.059 -0.654 0.000 1.106 682 L HN 0.298 nan 8.230 nan 0.000 0.467 683 P HA -0.027 nan 4.420 nan 0.000 0.271 683 P C -0.540 176.711 177.300 -0.083 0.000 1.233 683 P CA -0.447 62.612 63.100 -0.068 0.000 0.789 683 P CB 0.333 32.066 31.700 0.056 0.000 0.951 684 E N 1.112 121.293 120.200 -0.032 0.000 2.652 684 E HA -0.064 4.302 4.350 0.027 0.000 0.255 684 E C -0.876 175.713 176.600 -0.019 0.000 0.952 684 E CA 0.271 56.654 56.400 -0.028 0.000 0.947 684 E CB -0.115 29.580 29.700 -0.008 0.000 0.912 684 E HN 0.310 nan 8.360 nan 0.000 0.489 685 L N 7.955 129.155 121.223 -0.039 0.000 2.277 685 L HA 0.358 4.714 4.340 0.027 0.000 0.284 685 L C -1.746 175.125 176.870 0.002 0.000 1.028 685 L CA -2.167 52.662 54.840 -0.017 0.000 0.835 685 L CB 1.114 43.142 42.059 -0.053 0.000 1.215 685 L HN 0.546 nan 8.230 nan 0.000 0.425 686 P HA -0.022 nan 4.420 nan 0.000 0.267 686 P C -0.649 176.665 177.300 0.023 0.000 1.201 686 P CA -0.347 62.770 63.100 0.028 0.000 0.775 686 P CB 0.621 32.348 31.700 0.044 0.000 0.854 687 Q N 1.968 121.778 119.800 0.017 0.000 2.373 687 Q HA 0.349 4.706 4.340 0.027 0.000 0.255 687 Q C -1.901 174.112 176.000 0.021 0.000 0.980 687 Q CA -1.367 54.444 55.803 0.013 0.000 0.882 687 Q CB -0.584 28.159 28.738 0.009 0.000 1.249 687 Q HN 0.397 nan 8.270 nan 0.000 0.438 688 P HA 0.243 nan 4.420 nan 0.000 0.287 688 P C 0.129 177.444 177.300 0.025 0.000 1.270 688 P CA -0.529 62.589 63.100 0.029 0.000 0.844 688 P CB 1.061 32.781 31.700 0.033 0.000 1.068 689 E N 0.460 120.677 120.200 0.028 0.000 2.082 689 E HA -0.162 4.204 4.350 0.027 0.000 0.215 689 E C 0.985 177.600 176.600 0.024 0.000 1.048 689 E CA 2.104 58.519 56.400 0.025 0.000 0.869 689 E CB -0.431 29.284 29.700 0.026 0.000 0.773 689 E HN 0.706 nan 8.360 nan 0.000 0.466 690 S N -1.174 114.543 115.700 0.029 0.000 3.359 690 S HA 0.659 5.145 4.470 0.027 0.000 0.323 690 S C -0.392 174.227 174.600 0.031 0.000 1.143 690 S CA -0.351 57.866 58.200 0.028 0.000 0.989 690 S CB 1.059 64.278 63.200 0.031 0.000 1.375 690 S HN 0.279 nan 8.310 nan 0.000 0.728 691 A N -0.139 122.700 122.820 0.033 0.000 2.466 691 A HA 0.695 5.032 4.320 0.027 0.000 0.238 691 A C 0.928 178.540 177.584 0.048 0.000 1.074 691 A CA 0.490 52.548 52.037 0.034 0.000 0.774 691 A CB -0.954 18.069 19.000 0.037 0.000 1.015 691 A HN 2.437 nan 8.150 nan 0.000 0.498 692 G N -0.551 108.275 108.800 0.043 0.000 2.353 692 G HA2 0.426 4.402 3.960 0.027 0.000 0.424 692 G HA3 0.426 4.402 3.960 0.027 0.000 0.424 692 G C -1.094 173.824 174.900 0.031 0.000 1.320 692 G CA -0.197 44.942 45.100 0.066 0.000 0.995 692 G HN 1.157 nan 8.290 nan 0.000 0.580 693 Q N -0.171 119.657 119.800 0.047 0.000 2.314 693 Q HA 0.732 5.089 4.340 0.027 0.000 0.259 693 Q C -0.120 175.829 176.000 -0.084 0.000 0.951 693 Q CA -0.502 55.234 55.803 -0.112 0.000 0.909 693 Q CB 1.172 29.774 28.738 -0.227 0.000 1.236 693 Q HN 0.587 nan 8.270 nan 0.000 0.444 694 L N 3.936 125.068 121.223 -0.151 0.000 2.375 694 L HA 0.511 4.868 4.340 0.027 0.000 0.271 694 L C -0.798 175.976 176.870 -0.160 0.000 1.107 694 L CA -0.351 54.478 54.840 -0.018 0.000 0.806 694 L CB 0.768 42.823 42.059 -0.006 0.000 1.146 694 L HN 0.703 nan 8.230 nan 0.000 0.447 695 W N 3.419 124.780 121.300 0.103 0.000 3.022 695 W HA 0.505 5.181 4.660 0.027 0.000 0.335 695 W C -1.114 175.510 176.519 0.175 0.000 1.133 695 W CA -0.522 56.909 57.345 0.143 0.000 1.219 695 W CB 1.557 31.112 29.460 0.158 0.000 1.409 695 W HN 0.057 nan 8.180 nan 0.000 0.507 696 L N 2.896 124.413 121.223 0.489 0.000 2.313 696 L HA 0.816 5.172 4.340 0.027 0.000 0.283 696 L C -0.483 176.689 176.870 0.502 0.000 1.013 696 L CA 0.048 55.155 54.840 0.445 0.000 0.816 696 L CB 1.382 43.666 42.059 0.375 0.000 1.236 696 L HN 0.358 nan 8.230 nan 0.000 0.419 697 T N 5.130 119.919 114.554 0.391 0.000 2.824 697 T HA 0.692 5.058 4.350 0.027 0.000 0.282 697 T C -0.713 174.160 174.700 0.289 0.000 0.993 697 T CA -0.436 61.839 62.100 0.292 0.000 0.967 697 T CB 1.562 70.538 68.868 0.181 0.000 0.960 697 T HN 0.619 nan 8.240 nan 0.000 0.441 698 V N 1.494 121.541 119.914 0.223 0.000 2.864 698 V HA 0.856 4.992 4.120 0.027 0.000 0.314 698 V C -0.836 175.320 176.094 0.104 0.000 1.073 698 V CA -1.212 61.199 62.300 0.185 0.000 0.956 698 V CB 2.063 33.960 31.823 0.123 0.000 1.023 698 V HN 0.821 nan 8.190 nan 0.000 0.435 699 R N 1.828 122.413 120.500 0.142 0.000 2.673 699 R HA 0.757 5.113 4.340 0.027 0.000 0.281 699 R C -1.624 174.757 176.300 0.135 0.000 0.991 699 R CA -0.757 55.441 56.100 0.164 0.000 0.896 699 R CB 2.684 33.048 30.300 0.106 0.000 1.201 699 R HN 0.694 nan 8.270 nan 0.000 0.457 700 V N 3.610 123.639 119.914 0.192 0.000 2.383 700 V HA 0.325 4.462 4.120 0.027 0.000 0.275 700 V C -0.248 175.884 176.094 0.063 0.000 1.036 700 V CA -0.495 61.878 62.300 0.122 0.000 0.889 700 V CB 1.532 33.441 31.823 0.142 0.000 0.985 700 V HN 0.427 nan 8.190 nan 0.000 0.459 701 V N 5.349 125.235 119.914 -0.046 0.000 2.555 701 V HA 0.394 4.530 4.120 0.027 0.000 0.302 701 V C -0.216 175.869 176.094 -0.016 0.000 1.038 701 V CA -0.766 61.474 62.300 -0.099 0.000 0.887 701 V CB 1.976 33.577 31.823 -0.371 0.000 0.991 701 V HN 0.888 nan 8.190 nan 0.000 0.434 702 Q N 5.718 125.547 119.800 0.048 0.000 2.390 702 Q HA 0.271 4.627 4.340 0.027 0.000 0.249 702 Q C -1.804 174.204 176.000 0.014 0.000 0.996 702 Q CA -1.741 54.100 55.803 0.063 0.000 0.899 702 Q CB 1.719 30.521 28.738 0.107 0.000 1.216 702 Q HN 0.479 nan 8.270 nan 0.000 0.465 703 P HA -0.115 nan 4.420 nan 0.000 0.225 703 P C -0.574 176.722 177.300 -0.006 0.000 1.156 703 P CA 0.901 64.004 63.100 0.006 0.000 0.787 703 P CB 0.439 32.152 31.700 0.022 0.000 0.802 704 N N -0.511 118.178 118.700 -0.019 0.000 2.405 704 N HA 0.467 5.224 4.740 0.027 0.000 0.299 704 N C -0.378 175.079 175.510 -0.088 0.000 1.075 704 N CA -0.703 52.323 53.050 -0.040 0.000 0.884 704 N CB 1.203 39.670 38.487 -0.034 0.000 1.194 704 N HN -0.101 nan 8.380 nan 0.000 0.491 705 A N 0.783 123.545 122.820 -0.096 0.000 2.406 705 A HA 0.454 4.790 4.320 0.027 0.000 0.243 705 A C 0.598 178.060 177.584 -0.204 0.000 1.082 705 A CA 0.014 51.956 52.037 -0.157 0.000 0.786 705 A CB 0.011 18.946 19.000 -0.108 0.000 1.029 705 A HN 0.702 nan 8.150 nan 0.000 0.495 706 T N -3.027 111.318 114.554 -0.348 0.000 2.773 706 T HA 0.628 4.994 4.350 0.027 0.000 0.278 706 T C 0.961 175.504 174.700 -0.262 0.000 1.011 706 T CA 0.058 61.942 62.100 -0.360 0.000 1.014 706 T CB 1.089 69.503 68.868 -0.757 0.000 1.293 706 T HN 1.356 nan 8.240 nan 0.000 0.554 707 A N -0.140 122.624 122.820 -0.094 0.000 2.121 707 A HA 0.120 4.456 4.320 0.027 0.000 0.218 707 A C 1.658 179.381 177.584 0.232 0.000 1.154 707 A CA 0.991 53.084 52.037 0.093 0.000 0.679 707 A CB -0.888 18.209 19.000 0.161 0.000 0.795 707 A HN 0.904 nan 8.150 nan 0.000 0.458 708 W N -0.657 120.707 121.300 0.105 0.000 2.870 708 W HA 0.407 5.084 4.660 0.029 0.000 0.358 708 W C -0.198 176.288 176.519 -0.055 0.000 1.043 708 W CA 0.487 57.858 57.345 0.043 0.000 1.692 708 W CB -0.968 28.504 29.460 0.021 0.000 1.100 708 W HN 0.395 nan 8.180 nan 0.000 0.557 709 S N 0.716 116.003 115.700 -0.689 0.000 2.579 709 S HA 0.385 4.871 4.470 0.027 0.000 0.272 709 S C -0.545 173.837 174.600 -0.364 0.000 1.141 709 S CA -0.835 56.997 58.200 -0.613 0.000 0.843 709 S CB 2.436 64.897 63.200 -1.233 0.000 1.122 709 S HN 0.167 nan 8.310 nan 0.000 0.468 710 E N 1.119 121.216 120.200 -0.172 0.000 2.349 710 E HA 0.556 4.923 4.350 0.027 0.000 0.262 710 E C 0.290 176.850 176.600 -0.066 0.000 1.088 710 E CA -0.916 55.432 56.400 -0.086 0.000 0.899 710 E CB 0.688 30.379 29.700 -0.016 0.000 1.044 710 E HN 0.870 nan 8.360 nan 0.000 0.420 711 A N 0.661 123.450 122.820 -0.050 0.000 2.520 711 A HA 0.385 4.721 4.320 0.027 0.000 0.235 711 A C 1.273 178.856 177.584 -0.001 0.000 1.065 711 A CA 0.700 52.718 52.037 -0.032 0.000 0.764 711 A CB -0.548 18.439 19.000 -0.022 0.000 1.002 711 A HN 0.989 nan 8.150 nan 0.000 0.502 712 G N 0.143 108.946 108.800 0.005 0.000 2.199 712 G HA2 -0.254 3.723 3.960 0.027 0.000 0.254 712 G HA3 -0.254 3.723 3.960 0.027 0.000 0.254 712 G C 0.289 175.200 174.900 0.019 0.000 0.982 712 G CA 0.740 45.840 45.100 0.000 0.000 0.632 712 G HN 1.784 nan 8.290 nan 0.000 0.529 713 H N 0.730 119.781 119.070 -0.033 0.000 3.064 713 H HA 0.399 4.971 4.556 0.027 0.000 0.329 713 H C 0.691 176.058 175.328 0.064 0.000 1.020 713 H CA 0.545 56.602 56.048 0.014 0.000 1.402 713 H CB 0.150 29.896 29.762 -0.026 0.000 1.379 713 H HN 0.314 nan 8.280 nan 0.000 0.594 714 I N 4.690 124.966 120.570 -0.491 0.000 2.315 714 I HA 0.041 4.228 4.170 0.027 0.000 0.291 714 I C 0.908 176.857 176.117 -0.280 0.000 1.006 714 I CA 0.063 61.218 61.300 -0.241 0.000 1.265 714 I CB 1.469 39.403 38.000 -0.110 0.000 1.387 714 I HN 0.782 nan 8.210 nan 0.000 0.475 715 S N 4.193 119.958 115.700 0.109 0.000 2.502 715 S HA 0.550 5.037 4.470 0.027 0.000 0.215 715 S C 0.480 175.346 174.600 0.444 0.000 1.009 715 S CA -0.041 58.387 58.200 0.380 0.000 0.908 715 S CB 0.553 64.103 63.200 0.584 0.000 0.801 715 S HN 0.683 nan 8.310 nan 0.000 0.505 716 A N 0.537 123.640 122.820 0.472 0.000 2.605 716 A HA 0.666 5.002 4.320 0.027 0.000 0.294 716 A C -1.738 176.187 177.584 0.569 0.000 1.062 716 A CA -0.966 51.331 52.037 0.433 0.000 0.682 716 A CB 0.495 19.814 19.000 0.532 0.000 1.278 716 A HN 0.859 nan 8.150 nan 0.000 0.410 717 W N -0.068 121.408 121.300 0.293 0.000 3.074 717 W HA 0.830 5.507 4.660 0.029 0.000 0.332 717 W C -1.161 175.392 176.519 0.057 0.000 1.253 717 W CA -0.713 56.686 57.345 0.089 0.000 1.180 717 W CB 1.342 30.819 29.460 0.028 0.000 1.445 717 W HN 0.893 nan 8.180 nan 0.000 0.573 718 Q N 1.320 121.126 119.800 0.011 0.000 2.438 718 Q HA 0.362 4.719 4.340 0.027 0.000 0.272 718 Q C -1.695 174.106 176.000 -0.332 0.000 0.994 718 Q CA -0.479 55.154 55.803 -0.284 0.000 0.887 718 Q CB 2.524 30.841 28.738 -0.702 0.000 1.432 718 Q HN 0.619 nan 8.270 nan 0.000 0.392 719 Q N 1.929 121.513 119.800 -0.361 0.000 2.394 719 Q HA 0.628 4.985 4.340 0.027 0.000 0.273 719 Q C -1.256 174.617 176.000 -0.211 0.000 1.089 719 Q CA -0.590 55.160 55.803 -0.088 0.000 0.812 719 Q CB 1.840 30.666 28.738 0.147 0.000 1.353 719 Q HN 0.626 nan 8.270 nan 0.000 0.438 720 W N 1.514 122.988 121.300 0.290 0.000 3.033 720 W HA 0.454 5.130 4.660 0.027 0.000 0.336 720 W C -0.318 176.278 176.519 0.128 0.000 1.173 720 W CA -0.674 56.790 57.345 0.198 0.000 1.185 720 W CB 1.655 31.175 29.460 0.099 0.000 1.425 720 W HN 0.448 nan 8.180 nan 0.000 0.536 721 R N 1.542 122.114 120.500 0.121 0.000 2.441 721 R HA 0.464 4.821 4.340 0.027 0.000 0.284 721 R C 0.499 176.714 176.300 -0.141 0.000 1.070 721 R CA -0.168 55.717 56.100 -0.360 0.000 1.047 721 R CB 1.118 31.125 30.300 -0.488 0.000 1.016 721 R HN 0.299 nan 8.270 nan 0.000 0.477 722 L N 1.156 122.268 121.223 -0.186 0.000 2.793 722 L HA 0.526 4.882 4.340 0.027 0.000 0.188 722 L C 0.574 177.357 176.870 -0.145 0.000 1.949 722 L CA -0.992 53.783 54.840 -0.109 0.000 2.556 722 L CB -0.110 41.918 42.059 -0.052 0.000 2.898 722 L HN 0.590 nan 8.230 nan 0.000 0.621 723 A N 0.258 123.016 122.820 -0.103 0.000 2.425 723 A HA 0.241 4.577 4.320 0.027 0.000 0.242 723 A C -0.354 177.160 177.584 -0.117 0.000 1.077 723 A CA 0.139 52.119 52.037 -0.094 0.000 0.781 723 A CB 0.244 19.208 19.000 -0.059 0.000 1.020 723 A HN 0.603 nan 8.150 nan 0.000 0.494 724 E N 0.935 121.072 120.200 -0.104 0.000 2.222 724 E HA 0.315 4.681 4.350 0.027 0.000 0.267 724 E C -1.348 175.221 176.600 -0.051 0.000 0.884 724 E CA -0.713 55.629 56.400 -0.097 0.000 0.764 724 E CB 0.869 30.504 29.700 -0.109 0.000 1.169 724 E HN 0.686 nan 8.360 nan 0.000 0.413 725 N N 4.897 123.580 118.700 -0.029 0.000 2.511 725 N HA 0.267 5.024 4.740 0.027 0.000 0.249 725 N C -0.613 174.897 175.510 -0.000 0.000 0.971 725 N CA -0.320 52.724 53.050 -0.011 0.000 0.938 725 N CB 1.116 39.602 38.487 -0.001 0.000 1.131 725 N HN 0.445 nan 8.380 nan 0.000 0.505 726 L N 0.553 121.776 121.223 -0.000 0.000 2.439 726 L HA 0.161 4.517 4.340 0.027 0.000 0.269 726 L C 1.297 178.178 176.870 0.018 0.000 1.179 726 L CA -0.027 54.819 54.840 0.010 0.000 0.828 726 L CB 0.512 42.577 42.059 0.010 0.000 1.106 726 L HN 0.342 nan 8.230 nan 0.000 0.467 727 S N 0.763 116.479 115.700 0.027 0.000 2.505 727 S HA 0.272 4.758 4.470 0.027 0.000 0.276 727 S C 0.533 175.149 174.600 0.026 0.000 1.274 727 S CA -0.750 57.468 58.200 0.030 0.000 1.053 727 S CB 0.725 63.948 63.200 0.039 0.000 0.919 727 S HN 0.466 nan 8.310 nan 0.000 0.490 728 V N 2.166 122.093 119.914 0.021 0.000 3.346 728 V HA 0.345 4.481 4.120 0.027 0.000 0.309 728 V C 0.554 176.659 176.094 0.018 0.000 1.457 728 V CA 0.040 62.351 62.300 0.019 0.000 1.069 728 V CB -0.519 31.312 31.823 0.014 0.000 0.944 728 V HN 0.815 nan 8.190 nan 0.000 0.449 729 T N 1.307 115.873 114.554 0.020 0.000 2.845 729 T HA 0.704 5.071 4.350 0.027 0.000 0.288 729 T C -0.096 174.616 174.700 0.019 0.000 0.980 729 T CA -0.556 61.555 62.100 0.018 0.000 1.071 729 T CB 1.380 70.259 68.868 0.018 0.000 0.941 729 T HN 0.425 nan 8.240 nan 0.000 0.487 730 L N 3.393 124.625 121.223 0.015 0.000 2.462 730 L HA 0.371 4.728 4.340 0.027 0.000 0.272 730 L C -1.518 175.359 176.870 0.011 0.000 1.166 730 L CA -1.723 53.124 54.840 0.013 0.000 0.880 730 L CB -0.980 41.084 42.059 0.010 0.000 1.142 730 L HN 0.491 nan 8.230 nan 0.000 0.473 731 P HA 0.068 nan 4.420 nan 0.000 0.268 731 P C -0.464 176.832 177.300 -0.007 0.000 1.208 731 P CA -0.425 62.678 63.100 0.006 0.000 0.777 731 P CB 0.694 32.397 31.700 0.006 0.000 0.875 732 A N 2.104 124.914 122.820 -0.016 0.000 2.475 732 A HA 0.436 4.773 4.320 0.027 0.000 0.293 732 A C 0.860 178.400 177.584 -0.072 0.000 1.252 732 A CA -0.164 51.852 52.037 -0.035 0.000 0.920 732 A CB -1.126 17.853 19.000 -0.034 0.000 1.125 732 A HN 0.678 nan 8.150 nan 0.000 0.528 733 A N 3.975 126.759 122.820 -0.060 0.000 2.491 733 A HA 0.475 4.811 4.320 0.027 0.000 0.261 733 A C 1.079 178.594 177.584 -0.115 0.000 1.101 733 A CA 0.329 52.325 52.037 -0.068 0.000 0.772 733 A CB -0.549 18.432 19.000 -0.033 0.000 1.043 733 A HN 2.167 nan 8.150 nan 0.000 0.501 734 S N 2.838 118.460 115.700 -0.130 0.000 4.045 734 S HA -0.157 4.329 4.470 0.027 0.000 0.485 734 S C 0.371 174.925 174.600 -0.078 0.000 1.097 734 S CA 1.112 59.227 58.200 -0.142 0.000 0.930 734 S CB -0.521 62.645 63.200 -0.055 0.000 0.685 734 S HN 1.035 nan 8.310 nan 0.000 0.484 735 H N 1.595 120.678 119.070 0.021 0.000 2.660 735 H HA 0.739 5.311 4.556 0.027 0.000 0.310 735 H C 0.309 175.649 175.328 0.020 0.000 1.080 735 H CA -0.158 55.901 56.048 0.018 0.000 1.145 735 H CB -0.783 28.988 29.762 0.015 0.000 1.432 735 H HN 0.944 nan 8.280 nan 0.000 0.542 736 A N 0.504 123.391 122.820 0.112 0.000 2.610 736 A HA 0.662 4.999 4.320 0.027 0.000 0.291 736 A C -1.650 175.967 177.584 0.055 0.000 1.086 736 A CA -0.810 51.278 52.037 0.086 0.000 0.677 736 A CB 1.448 20.505 19.000 0.095 0.000 1.278 736 A HN 0.340 nan 8.150 nan 0.000 0.414 737 I N 0.879 121.483 120.570 0.058 0.000 2.680 737 I HA 0.679 4.865 4.170 0.027 0.000 0.291 737 I C -2.757 173.399 176.117 0.065 0.000 1.244 737 I CA -1.600 59.727 61.300 0.045 0.000 1.042 737 I CB 2.550 40.571 38.000 0.036 0.000 1.277 737 I HN 0.501 nan 8.210 nan 0.000 0.423 738 P HA 0.192 nan 4.420 nan 0.000 0.274 738 P C -1.456 175.909 177.300 0.108 0.000 1.231 738 P CA 0.069 63.220 63.100 0.085 0.000 0.790 738 P CB 0.605 32.325 31.700 0.033 0.000 0.951 739 H N 2.071 121.166 119.070 0.043 0.000 2.539 739 H HA 0.365 4.938 4.556 0.027 0.000 0.332 739 H C -1.100 174.255 175.328 0.045 0.000 1.031 739 H CA -0.922 55.146 56.048 0.032 0.000 1.206 739 H CB 1.399 31.182 29.762 0.034 0.000 1.446 739 H HN 0.244 nan 8.280 nan 0.000 0.496 740 L N 5.041 125.891 121.223 -0.622 0.000 2.292 740 L HA 0.316 4.673 4.340 0.027 0.000 0.284 740 L C -0.677 175.898 176.870 -0.492 0.000 1.065 740 L CA 0.086 54.686 54.840 -0.400 0.000 0.806 740 L CB 1.407 43.301 42.059 -0.275 0.000 1.175 740 L HN 0.549 nan 8.230 nan 0.000 0.431 741 T N 3.369 117.837 114.554 -0.144 0.000 2.812 741 T HA 0.485 4.852 4.350 0.027 0.000 0.282 741 T C -0.492 174.271 174.700 0.106 0.000 0.990 741 T CA -0.403 61.694 62.100 -0.005 0.000 0.960 741 T CB 1.204 70.124 68.868 0.086 0.000 0.948 741 T HN 0.672 nan 8.240 nan 0.000 0.438 742 T N 2.935 117.561 114.554 0.119 0.000 2.779 742 T HA 0.660 5.026 4.350 0.027 0.000 0.280 742 T C -0.030 174.725 174.700 0.092 0.000 0.987 742 T CA -0.726 61.495 62.100 0.202 0.000 0.966 742 T CB 1.100 70.127 68.868 0.265 0.000 0.933 742 T HN 0.663 nan 8.240 nan 0.000 0.442 743 S N 1.996 117.718 115.700 0.037 0.000 2.599 743 S HA 0.437 4.923 4.470 0.027 0.000 0.287 743 S C 0.789 175.336 174.600 -0.088 0.000 1.105 743 S CA -0.878 57.315 58.200 -0.011 0.000 0.899 743 S CB 1.860 65.063 63.200 0.005 0.000 1.100 743 S HN 0.574 nan 8.310 nan 0.000 0.482 744 E N 0.294 120.454 120.200 -0.067 0.000 2.118 744 E HA -0.129 4.237 4.350 0.027 0.000 0.195 744 E C 1.167 177.685 176.600 -0.137 0.000 0.992 744 E CA 1.188 57.529 56.400 -0.097 0.000 0.804 744 E CB -0.159 29.508 29.700 -0.055 0.000 0.741 744 E HN 0.544 nan 8.360 nan 0.000 0.458 745 M N 0.501 120.042 119.600 -0.098 0.000 2.388 745 M HA 0.050 4.546 4.480 0.027 0.000 0.265 745 M C -0.311 175.920 176.300 -0.116 0.000 1.088 745 M CA 1.051 56.299 55.300 -0.086 0.000 1.134 745 M CB -0.064 32.519 32.600 -0.029 0.000 1.384 745 M HN -0.130 nan 8.290 nan 0.000 0.447 746 D N -2.806 117.514 120.400 -0.133 0.000 2.615 746 D HA 0.373 5.029 4.640 0.027 0.000 0.267 746 D C -1.467 174.779 176.300 -0.091 0.000 1.236 746 D CA -0.343 53.600 54.000 -0.095 0.000 0.839 746 D CB 1.484 42.318 40.800 0.055 0.000 1.380 746 D HN -0.108 nan 8.370 nan 0.000 0.433 747 F N 0.816 120.838 119.950 0.119 0.000 2.402 747 F HA 0.480 5.023 4.527 0.027 0.000 0.355 747 F C -0.300 175.607 175.800 0.178 0.000 1.123 747 F CA -0.789 57.267 58.000 0.093 0.000 1.021 747 F CB 1.061 40.081 39.000 0.033 0.000 1.160 747 F HN 0.104 nan 8.300 nan 0.000 0.451 748 C N 4.363 123.847 119.300 0.307 0.000 2.391 748 C HA 0.756 5.233 4.460 0.027 0.000 0.339 748 C C -0.286 174.841 174.990 0.228 0.000 1.205 748 C CA -0.685 58.495 59.018 0.269 0.000 1.937 748 C CB 1.116 28.950 27.740 0.158 0.000 2.341 748 C HN 0.544 nan 8.230 nan 0.000 0.516 749 I N 2.114 122.871 120.570 0.313 0.000 2.533 749 I HA 0.473 4.659 4.170 0.027 0.000 0.290 749 I C -0.328 176.038 176.117 0.414 0.000 1.056 749 I CA -0.117 61.365 61.300 0.304 0.000 1.057 749 I CB 1.610 39.774 38.000 0.272 0.000 1.240 749 I HN 0.597 nan 8.210 nan 0.000 0.423 750 E N 5.004 125.392 120.200 0.313 0.000 2.248 750 E HA 0.803 5.170 4.350 0.027 0.000 0.267 750 E C -1.782 174.989 176.600 0.286 0.000 0.877 750 E CA -0.718 55.847 56.400 0.275 0.000 0.759 750 E CB 2.106 31.899 29.700 0.155 0.000 1.182 750 E HN 0.501 nan 8.360 nan 0.000 0.418 751 L N 4.639 126.038 121.223 0.293 0.000 2.611 751 L HA 0.576 4.932 4.340 0.027 0.000 0.263 751 L C 0.150 177.117 176.870 0.161 0.000 0.969 751 L CA 0.674 55.664 54.840 0.251 0.000 0.894 751 L CB 1.177 43.434 42.059 0.331 0.000 1.229 751 L HN 0.708 nan 8.230 nan 0.000 0.416 752 G N 4.460 113.319 108.800 0.098 0.000 2.611 752 G HA2 -0.430 3.546 3.960 0.027 0.000 0.301 752 G HA3 -0.430 3.546 3.960 0.027 0.000 0.301 752 G C 0.604 175.515 174.900 0.018 0.000 1.233 752 G CA 0.607 45.740 45.100 0.055 0.000 0.993 752 G HN 1.270 nan 8.290 nan 0.000 0.553 753 N N 1.391 120.091 118.700 0.000 0.000 2.461 753 N HA 0.067 4.823 4.740 0.027 0.000 0.188 753 N C 0.521 175.982 175.510 -0.082 0.000 1.134 753 N CA 1.064 54.092 53.050 -0.037 0.000 0.878 753 N CB 0.144 38.610 38.487 -0.035 0.000 0.972 753 N HN 0.728 nan 8.380 nan 0.000 0.456 754 K N 0.168 120.513 120.400 -0.092 0.000 2.208 754 K HA 0.469 4.806 4.320 0.027 0.000 0.247 754 K C -0.611 175.793 176.600 -0.327 0.000 0.953 754 K CA -0.693 55.410 56.287 -0.307 0.000 0.837 754 K CB 2.249 34.453 32.500 -0.493 0.000 1.131 754 K HN -0.042 nan 8.250 nan 0.000 0.431 755 R N 1.808 122.013 120.500 -0.492 0.000 2.584 755 R HA 0.332 4.689 4.340 0.027 0.000 0.276 755 R C -1.663 174.492 176.300 -0.242 0.000 1.046 755 R CA -0.600 55.382 56.100 -0.196 0.000 0.906 755 R CB 1.250 31.468 30.300 -0.137 0.000 1.215 755 R HN 0.615 nan 8.270 nan 0.000 0.449 756 W N 3.701 125.098 121.300 0.162 0.000 2.532 756 W HA 0.319 4.995 4.660 0.027 0.000 0.321 756 W C -0.525 176.086 176.519 0.154 0.000 1.037 756 W CA -0.661 56.740 57.345 0.094 0.000 1.220 756 W CB 2.049 31.567 29.460 0.097 0.000 1.361 756 W HN 0.419 nan 8.180 nan 0.000 0.468 757 Q N 3.109 123.055 119.800 0.242 0.000 2.341 757 Q HA 0.369 4.726 4.340 0.027 0.000 0.268 757 Q C -1.720 174.248 176.000 -0.053 0.000 1.013 757 Q CA -0.485 55.451 55.803 0.222 0.000 0.798 757 Q CB 1.007 29.955 28.738 0.350 0.000 1.253 757 Q HN 0.333 nan 8.270 nan 0.000 0.457 758 F N 2.919 122.958 119.950 0.149 0.000 2.404 758 F HA 0.287 4.830 4.527 0.027 0.000 0.354 758 F C 0.692 176.536 175.800 0.074 0.000 1.122 758 F CA -0.778 57.277 58.000 0.092 0.000 1.080 758 F CB 1.144 40.200 39.000 0.094 0.000 1.131 758 F HN 0.490 nan 8.300 nan 0.000 0.471 759 N N 3.726 122.534 118.700 0.179 0.000 2.442 759 N HA 0.078 4.834 4.740 0.027 0.000 0.265 759 N C 0.845 176.388 175.510 0.055 0.000 1.138 759 N CA -0.023 53.089 53.050 0.104 0.000 0.956 759 N CB 0.754 39.306 38.487 0.108 0.000 1.067 759 N HN 0.684 nan 8.380 nan 0.000 0.474 760 R N 2.424 122.889 120.500 -0.058 0.000 2.235 760 R HA -0.058 4.299 4.340 0.027 0.000 0.213 760 R C 1.112 177.360 176.300 -0.087 0.000 1.059 760 R CA 1.005 57.016 56.100 -0.149 0.000 0.997 760 R CB 0.205 30.281 30.300 -0.373 0.000 0.884 760 R HN 0.564 nan 8.270 nan 0.000 0.462 761 Q N -0.298 119.480 119.800 -0.038 0.000 2.250 761 Q HA 0.005 4.362 4.340 0.027 0.000 0.200 761 Q C 2.061 178.066 176.000 0.009 0.000 0.941 761 Q CA 1.565 57.355 55.803 -0.021 0.000 0.872 761 Q CB 0.275 29.008 28.738 -0.008 0.000 0.965 761 Q HN 0.312 nan 8.270 nan 0.000 0.480 762 S N -1.583 114.154 115.700 0.060 0.000 2.458 762 S HA 0.222 4.708 4.470 0.027 0.000 0.223 762 S C 1.605 176.185 174.600 -0.034 0.000 1.019 762 S CA 0.475 58.751 58.200 0.126 0.000 0.937 762 S CB 0.106 63.494 63.200 0.312 0.000 0.788 762 S HN 0.433 nan 8.310 nan 0.000 0.511 763 G N 0.436 109.209 108.800 -0.044 0.000 2.136 763 G HA2 -0.211 3.765 3.960 0.027 0.000 0.242 763 G HA3 -0.211 3.765 3.960 0.027 0.000 0.242 763 G C -0.117 174.688 174.900 -0.159 0.000 0.989 763 G CA 0.220 45.258 45.100 -0.103 0.000 0.682 763 G HN 0.522 nan 8.290 nan 0.000 0.522 764 F N -1.233 118.898 119.950 0.301 0.000 2.541 764 F HA 0.683 5.226 4.527 0.027 0.000 0.331 764 F C 0.533 176.373 175.800 0.066 0.000 1.057 764 F CA -1.433 56.704 58.000 0.229 0.000 0.975 764 F CB 1.369 40.459 39.000 0.150 0.000 1.246 764 F HN 0.006 nan 8.300 nan 0.000 0.484 765 L N 1.954 123.223 121.223 0.077 0.000 2.515 765 L HA 0.177 4.533 4.340 0.027 0.000 0.281 765 L C 0.917 177.685 176.870 -0.169 0.000 1.131 765 L CA 0.406 54.952 54.840 -0.489 0.000 0.905 765 L CB 0.117 41.888 42.059 -0.480 0.000 1.246 765 L HN 0.682 nan 8.230 nan 0.000 0.463 766 S N 2.465 118.078 115.700 -0.144 0.000 2.517 766 S HA 0.264 4.750 4.470 0.027 0.000 0.214 766 S C 0.572 175.060 174.600 -0.188 0.000 0.991 766 S CA -0.142 58.009 58.200 -0.080 0.000 0.906 766 S CB 0.089 63.294 63.200 0.007 0.000 0.789 766 S HN 0.666 nan 8.310 nan 0.000 0.513 767 Q N -0.100 119.534 119.800 -0.277 0.000 2.426 767 Q HA 0.677 5.034 4.340 0.027 0.000 0.278 767 Q C -1.984 173.694 176.000 -0.536 0.000 1.007 767 Q CA -0.238 55.257 55.803 -0.513 0.000 0.850 767 Q CB 1.803 30.082 28.738 -0.764 0.000 1.427 767 Q HN 0.430 nan 8.270 nan 0.000 0.391 768 M N 1.788 120.958 119.600 -0.716 0.000 2.433 768 M HA 0.600 5.097 4.480 0.027 0.000 0.290 768 M C -1.519 174.452 176.300 -0.550 0.000 1.173 768 M CA -0.390 54.589 55.300 -0.534 0.000 0.905 768 M CB 2.205 34.443 32.600 -0.603 0.000 1.692 768 M HN 0.471 nan 8.290 nan 0.000 0.462 769 W N 3.442 124.511 121.300 -0.385 0.000 2.915 769 W HA 0.636 5.313 4.660 0.028 0.000 0.337 769 W C -1.416 174.906 176.519 -0.327 0.000 1.102 769 W CA -0.674 56.502 57.345 -0.280 0.000 1.224 769 W CB 1.726 31.059 29.460 -0.212 0.000 1.416 769 W HN 0.475 nan 8.180 nan 0.000 0.503 770 I N 2.733 123.290 120.570 -0.021 0.000 2.411 770 I HA 0.457 4.643 4.170 0.027 0.000 0.284 770 I C 0.805 176.907 176.117 -0.024 0.000 1.012 770 I CA 0.226 61.476 61.300 -0.084 0.000 1.119 770 I CB 1.094 39.019 38.000 -0.125 0.000 1.261 770 I HN 0.701 nan 8.210 nan 0.000 0.448 771 G N 5.521 114.304 108.800 -0.029 0.000 2.550 771 G HA2 -0.304 3.672 3.960 0.027 0.000 0.277 771 G HA3 -0.304 3.672 3.960 0.027 0.000 0.277 771 G C 0.435 175.349 174.900 0.022 0.000 1.190 771 G CA 0.463 45.553 45.100 -0.017 0.000 0.971 771 G HN 0.748 nan 8.290 nan 0.000 0.559 772 D N 0.752 121.172 120.400 0.033 0.000 2.340 772 D HA 0.101 4.757 4.640 0.027 0.000 0.220 772 D C 0.899 177.305 176.300 0.178 0.000 1.039 772 D CA 0.478 54.526 54.000 0.081 0.000 0.866 772 D CB 0.182 41.002 40.800 0.032 0.000 0.913 772 D HN 0.485 nan 8.370 nan 0.000 0.523 773 K N 1.462 121.931 120.400 0.115 0.000 2.262 773 K HA 0.168 4.504 4.320 0.027 0.000 0.282 773 K C -0.114 176.462 176.600 -0.041 0.000 1.066 773 K CA -0.453 55.860 56.287 0.043 0.000 0.901 773 K CB 1.080 33.570 32.500 -0.017 0.000 1.089 773 K HN -0.118 nan 8.250 nan 0.000 0.476 774 K N 2.602 122.890 120.400 -0.186 0.000 2.401 774 K HA -0.006 4.331 4.320 0.027 0.000 0.278 774 K C 0.893 177.299 176.600 -0.324 0.000 1.018 774 K CA -0.037 55.936 56.287 -0.523 0.000 0.981 774 K CB 0.793 32.984 32.500 -0.514 0.000 0.933 774 K HN 0.434 nan 8.250 nan 0.000 0.477 775 Q N 1.500 121.080 119.800 -0.368 0.000 2.350 775 Q HA 0.191 4.547 4.340 0.027 0.000 0.225 775 Q C 0.112 176.023 176.000 -0.148 0.000 0.878 775 Q CA 0.450 56.157 55.803 -0.161 0.000 0.935 775 Q CB 0.527 29.213 28.738 -0.087 0.000 1.099 775 Q HN 0.507 nan 8.270 nan 0.000 0.527 776 L N 0.406 121.470 121.223 -0.265 0.000 2.342 776 L HA 0.390 4.747 4.340 0.027 0.000 0.271 776 L C 0.956 177.690 176.870 -0.225 0.000 1.008 776 L CA -0.425 54.285 54.840 -0.216 0.000 0.818 776 L CB 1.706 43.628 42.059 -0.229 0.000 1.296 776 L HN -0.081 nan 8.230 nan 0.000 0.427 777 L N 0.294 121.382 121.223 -0.225 0.000 2.425 777 L HA 0.164 4.521 4.340 0.027 0.000 0.215 777 L C 0.574 177.324 176.870 -0.199 0.000 1.065 777 L CA 0.501 55.214 54.840 -0.212 0.000 0.842 777 L CB 0.388 42.306 42.059 -0.234 0.000 1.033 777 L HN 0.745 nan 8.230 nan 0.000 0.474 778 T N -2.937 111.469 114.554 -0.246 0.000 2.912 778 T HA 0.529 4.896 4.350 0.027 0.000 0.299 778 T C -2.868 171.749 174.700 -0.138 0.000 1.052 778 T CA -2.105 59.895 62.100 -0.168 0.000 0.996 778 T CB 2.200 70.967 68.868 -0.168 0.000 1.070 778 T HN -0.312 nan 8.240 nan 0.000 0.465 779 P HA 0.210 nan 4.420 nan 0.000 0.270 779 P C -0.475 176.794 177.300 -0.052 0.000 1.223 779 P CA -0.719 62.349 63.100 -0.054 0.000 0.785 779 P CB 0.317 32.013 31.700 -0.006 0.000 0.923 780 L N 3.507 124.743 121.223 0.022 0.000 2.385 780 L HA 0.226 4.582 4.340 0.027 0.000 0.281 780 L C 0.206 177.062 176.870 -0.024 0.000 1.106 780 L CA 0.669 55.562 54.840 0.088 0.000 0.856 780 L CB -0.769 41.453 42.059 0.272 0.000 1.186 780 L HN 0.291 nan 8.230 nan 0.000 0.453 781 R N 2.694 123.080 120.500 -0.189 0.000 2.795 781 R HA 0.443 4.800 4.340 0.027 0.000 0.275 781 R C -0.961 175.212 176.300 -0.212 0.000 0.981 781 R CA -1.028 54.794 56.100 -0.464 0.000 0.917 781 R CB 1.244 31.071 30.300 -0.788 0.000 1.202 781 R HN 0.528 nan 8.270 nan 0.000 0.469 782 D N 1.306 121.642 120.400 -0.106 0.000 2.449 782 D HA 0.010 4.666 4.640 0.027 0.000 0.236 782 D C -0.433 175.482 176.300 -0.641 0.000 1.149 782 D CA 0.629 54.421 54.000 -0.346 0.000 0.878 782 D CB 0.617 41.158 40.800 -0.431 0.000 1.198 782 D HN 0.205 nan 8.370 nan 0.000 0.446 783 Q N 1.160 120.384 119.800 -0.960 0.000 2.305 783 Q HA 0.378 4.735 4.340 0.027 0.000 0.271 783 Q C -1.240 174.019 176.000 -1.235 0.000 1.046 783 Q CA -0.604 54.679 55.803 -0.866 0.000 0.798 783 Q CB 0.876 29.329 28.738 -0.474 0.000 1.286 783 Q HN 0.572 nan 8.270 nan 0.000 0.435 784 F N 0.619 120.184 119.950 -0.641 0.000 2.781 784 F HA 0.203 4.746 4.527 0.027 0.000 0.322 784 F C 0.401 175.759 175.800 -0.736 0.000 1.108 784 F CA -0.264 57.244 58.000 -0.820 0.000 1.179 784 F CB 1.607 39.781 39.000 -1.378 0.000 1.072 784 F HN 0.430 nan 8.300 nan 0.000 0.545 785 T N -0.808 113.432 114.554 -0.524 0.000 2.916 785 T HA 0.760 5.126 4.350 0.027 0.000 0.292 785 T C -0.566 173.875 174.700 -0.432 0.000 1.064 785 T CA -0.968 60.755 62.100 -0.628 0.000 1.011 785 T CB 2.739 71.166 68.868 -0.734 0.000 1.152 785 T HN 0.244 nan 8.240 nan 0.000 0.510 786 R N -0.014 120.267 120.500 -0.366 0.000 2.795 786 R HA 0.773 5.130 4.340 0.027 0.000 0.275 786 R C -0.805 175.543 176.300 0.080 0.000 0.981 786 R CA -1.219 54.802 56.100 -0.131 0.000 0.917 786 R CB 1.576 31.812 30.300 -0.106 0.000 1.202 786 R HN 0.811 nan 8.270 nan 0.000 0.469 787 A N 3.383 126.238 122.820 0.058 0.000 2.484 787 A HA 0.295 4.631 4.320 0.027 0.000 0.268 787 A C -2.034 175.615 177.584 0.109 0.000 1.114 787 A CA -1.371 50.706 52.037 0.065 0.000 0.780 787 A CB -0.432 18.555 19.000 -0.022 0.000 1.061 787 A HN 0.541 nan 8.150 nan 0.000 0.505 788 P HA 0.118 nan 4.420 nan 0.000 0.264 788 P C -0.192 177.215 177.300 0.178 0.000 1.193 788 P CA 0.383 63.640 63.100 0.262 0.000 0.763 788 P CB 0.333 32.213 31.700 0.301 0.000 0.810 789 L N 2.440 123.734 121.223 0.118 0.000 2.475 789 L HA 0.155 4.511 4.340 0.027 0.000 0.253 789 L C 1.848 178.716 176.870 -0.003 0.000 1.198 789 L CA -0.449 54.394 54.840 0.004 0.000 0.814 789 L CB -0.077 41.912 42.059 -0.116 0.000 1.134 789 L HN 0.291 nan 8.230 nan 0.000 0.478 790 D N 0.343 120.677 120.400 -0.111 0.000 2.133 790 D HA -0.169 4.488 4.640 0.027 0.000 0.195 790 D C 1.643 177.843 176.300 -0.166 0.000 0.997 790 D CA 1.444 55.295 54.000 -0.249 0.000 0.840 790 D CB 0.006 40.583 40.800 -0.372 0.000 0.947 790 D HN 0.476 nan 8.370 nan 0.000 0.452 791 N N 0.911 119.534 118.700 -0.128 0.000 2.309 791 N HA -0.104 4.653 4.740 0.027 0.000 0.182 791 N C 1.143 176.651 175.510 -0.003 0.000 1.018 791 N CA 0.677 53.683 53.050 -0.074 0.000 0.876 791 N CB -0.129 38.304 38.487 -0.089 0.000 0.972 791 N HN 0.245 nan 8.380 nan 0.000 0.434 792 D N 0.274 120.690 120.400 0.026 0.000 2.234 792 D HA 0.063 4.720 4.640 0.027 0.000 0.205 792 D C 1.935 178.269 176.300 0.056 0.000 0.962 792 D CA 0.351 54.402 54.000 0.085 0.000 0.855 792 D CB 0.219 41.147 40.800 0.213 0.000 0.951 792 D HN 0.314 nan 8.370 nan 0.000 0.500 793 I N 0.043 120.629 120.570 0.026 0.000 2.494 793 I HA 0.083 4.270 4.170 0.027 0.000 0.250 793 I C 1.751 177.875 176.117 0.011 0.000 1.112 793 I CA 0.577 61.881 61.300 0.006 0.000 1.438 793 I CB -0.217 37.756 38.000 -0.046 0.000 1.111 793 I HN 0.047 nan 8.210 nan 0.000 0.431 794 G N 1.324 110.141 108.800 0.029 0.000 2.574 794 G HA2 -0.339 3.638 3.960 0.027 0.000 0.286 794 G HA3 -0.339 3.638 3.960 0.027 0.000 0.286 794 G C 0.697 175.753 174.900 0.259 0.000 1.212 794 G CA 0.707 45.894 45.100 0.145 0.000 0.979 794 G HN 0.518 nan 8.290 nan 0.000 0.557 795 V N -1.856 118.164 119.914 0.178 0.000 3.649 795 V HA 0.562 4.699 4.120 0.027 0.000 0.275 795 V C 1.397 177.515 176.094 0.039 0.000 1.281 795 V CA 1.387 63.745 62.300 0.096 0.000 1.143 795 V CB -0.031 31.749 31.823 -0.072 0.000 0.892 795 V HN 1.204 nan 8.190 nan 0.000 0.441 796 S N 1.013 116.730 115.700 0.028 0.000 2.568 796 S HA 0.307 4.793 4.470 0.027 0.000 0.282 796 S C -0.083 174.522 174.600 0.009 0.000 1.338 796 S CA 0.163 58.364 58.200 0.002 0.000 1.045 796 S CB 0.274 63.469 63.200 -0.009 0.000 0.873 796 S HN 0.825 nan 8.310 nan 0.000 0.516 797 E N 0.753 120.955 120.200 0.002 0.000 2.372 797 E HA 0.476 4.842 4.350 0.027 0.000 0.279 797 E C 0.482 177.088 176.600 0.009 0.000 0.946 797 E CA -0.407 55.999 56.400 0.011 0.000 0.769 797 E CB 1.402 31.108 29.700 0.009 0.000 1.230 797 E HN 0.586 nan 8.360 nan 0.000 0.442 798 A N 0.943 123.774 122.820 0.019 0.000 1.971 798 A HA -0.254 4.083 4.320 0.027 0.000 0.222 798 A C 1.818 179.409 177.584 0.013 0.000 1.182 798 A CA 2.753 54.801 52.037 0.019 0.000 0.649 798 A CB -0.924 18.093 19.000 0.028 0.000 0.818 798 A HN 0.661 nan 8.150 nan 0.000 0.458 799 T N -4.892 109.668 114.554 0.010 0.000 3.081 799 T HA 0.311 4.677 4.350 0.027 0.000 0.250 799 T C 0.782 175.477 174.700 -0.007 0.000 1.100 799 T CA 0.147 62.249 62.100 0.003 0.000 1.038 799 T CB 0.161 69.032 68.868 0.005 0.000 0.962 799 T HN 0.278 nan 8.240 nan 0.000 0.516 800 R N 1.152 121.645 120.500 -0.012 0.000 3.033 800 R HA 0.280 4.637 4.340 0.027 0.000 0.236 800 R C -1.264 175.022 176.300 -0.024 0.000 1.774 800 R CA -0.489 55.597 56.100 -0.023 0.000 1.401 800 R CB 0.550 30.828 30.300 -0.036 0.000 1.539 800 R HN 0.202 nan 8.270 nan 0.000 0.618 801 I N 1.364 121.922 120.570 -0.019 0.000 2.754 801 I HA -0.023 4.163 4.170 0.027 0.000 0.285 801 I C 0.753 176.850 176.117 -0.034 0.000 1.166 801 I CA 0.157 61.445 61.300 -0.020 0.000 1.417 801 I CB 0.530 38.521 38.000 -0.016 0.000 1.382 801 I HN 0.332 nan 8.210 nan 0.000 0.588 802 D N 8.139 128.516 120.400 -0.039 0.000 2.473 802 D HA 0.273 4.929 4.640 0.027 0.000 0.226 802 D C -1.686 174.569 176.300 -0.075 0.000 1.089 802 D CA -2.173 51.794 54.000 -0.055 0.000 0.883 802 D CB 1.470 42.240 40.800 -0.050 0.000 1.029 802 D HN 0.203 nan 8.370 nan 0.000 0.517 803 P HA -0.123 nan 4.420 nan 0.000 0.228 803 P C 0.835 178.043 177.300 -0.152 0.000 1.151 803 P CA 0.593 63.634 63.100 -0.098 0.000 0.770 803 P CB 0.459 32.111 31.700 -0.081 0.000 0.786 804 N N 0.204 118.808 118.700 -0.160 0.000 2.446 804 N HA 0.031 4.787 4.740 0.027 0.000 0.179 804 N C 0.514 175.840 175.510 -0.307 0.000 1.054 804 N CA 0.097 53.011 53.050 -0.228 0.000 0.905 804 N CB -0.456 37.926 38.487 -0.175 0.000 0.973 804 N HN -0.035 nan 8.380 nan 0.000 0.448 805 A N -0.480 122.205 122.820 -0.226 0.000 2.498 805 A HA 0.080 4.417 4.320 0.027 0.000 0.239 805 A C 0.671 178.050 177.584 -0.341 0.000 1.068 805 A CA -0.334 51.570 52.037 -0.222 0.000 0.766 805 A CB -0.183 18.755 19.000 -0.103 0.000 1.003 805 A HN 0.539 nan 8.150 nan 0.000 0.497 806 W N 1.660 122.705 121.300 -0.424 0.000 2.338 806 W HA -0.169 4.507 4.660 0.027 0.000 0.304 806 W C 2.203 178.148 176.519 -0.957 0.000 1.212 806 W CA 1.698 58.527 57.345 -0.861 0.000 1.264 806 W CB -0.304 28.509 29.460 -1.079 0.000 1.142 806 W HN 0.560 nan 8.180 nan 0.000 0.512 807 V N 0.950 120.733 119.914 -0.217 0.000 2.392 807 V HA -0.268 3.869 4.120 0.027 0.000 0.249 807 V C 2.129 178.292 176.094 0.116 0.000 1.059 807 V CA 2.131 64.506 62.300 0.124 0.000 1.051 807 V CB -0.344 31.595 31.823 0.194 0.000 0.658 807 V HN 0.097 nan 8.190 nan 0.000 0.455 808 E N -0.163 120.021 120.200 -0.027 0.000 2.150 808 E HA -0.169 4.198 4.350 0.027 0.000 0.193 808 E C 2.325 178.895 176.600 -0.050 0.000 0.985 808 E CA 0.949 57.337 56.400 -0.020 0.000 0.814 808 E CB -0.308 29.358 29.700 -0.056 0.000 0.752 808 E HN 0.617 nan 8.360 nan 0.000 0.466 809 R N -0.164 120.227 120.500 -0.182 0.000 2.075 809 R HA -0.091 4.265 4.340 0.027 0.000 0.232 809 R C 2.264 178.514 176.300 -0.084 0.000 1.126 809 R CA 1.100 57.074 56.100 -0.210 0.000 0.963 809 R CB -0.152 29.898 30.300 -0.417 0.000 0.858 809 R HN 0.243 nan 8.270 nan 0.000 0.435 810 W N 1.556 122.825 121.300 -0.052 0.000 2.381 810 W HA -0.065 4.612 4.660 0.028 0.000 0.301 810 W C 1.973 178.445 176.519 -0.079 0.000 1.205 810 W CA 0.680 57.886 57.345 -0.232 0.000 1.285 810 W CB -0.633 28.834 29.460 0.011 0.000 1.133 810 W HN 0.086 nan 8.180 nan 0.000 0.521 811 K N 0.034 120.651 120.400 0.361 0.000 2.026 811 K HA -0.105 4.231 4.320 0.027 0.000 0.208 811 K C 2.255 178.922 176.600 0.111 0.000 1.048 811 K CA 1.800 58.260 56.287 0.288 0.000 0.929 811 K CB -0.547 32.073 32.500 0.200 0.000 0.713 811 K HN -0.016 nan 8.250 nan 0.000 0.439 812 A N 1.093 123.948 122.820 0.058 0.000 1.969 812 A HA -0.053 4.283 4.320 0.027 0.000 0.218 812 A C 2.201 179.793 177.584 0.014 0.000 1.169 812 A CA 1.663 53.720 52.037 0.032 0.000 0.635 812 A CB -0.485 18.518 19.000 0.005 0.000 0.810 812 A HN 0.333 nan 8.150 nan 0.000 0.445 813 A N -1.902 120.900 122.820 -0.029 0.000 2.206 813 A HA 0.387 4.723 4.320 0.027 0.000 0.211 813 A C 1.847 179.371 177.584 -0.100 0.000 1.158 813 A CA 1.313 53.338 52.037 -0.019 0.000 0.761 813 A CB -0.812 18.145 19.000 -0.072 0.000 0.801 813 A HN 1.846 nan 8.150 nan 0.000 0.473 814 G N -1.786 106.828 108.800 -0.309 0.000 2.157 814 G HA2 -0.298 3.679 3.960 0.027 0.000 0.239 814 G HA3 -0.298 3.679 3.960 0.027 0.000 0.239 814 G C 0.617 175.458 174.900 -0.098 0.000 0.982 814 G CA 0.638 45.238 45.100 -0.833 0.000 0.650 814 G HN 0.736 nan 8.290 nan 0.000 0.527 815 H N -1.353 117.679 119.070 -0.063 0.000 2.387 815 H HA -0.090 4.482 4.556 0.027 0.000 0.299 815 H C 2.143 177.434 175.328 -0.063 0.000 1.099 815 H CA 1.587 57.624 56.048 -0.018 0.000 1.315 815 H CB 0.063 29.774 29.762 -0.084 0.000 1.380 815 H HN 0.594 nan 8.280 nan 0.000 0.513 816 Y N 0.107 120.516 120.300 0.182 0.000 2.544 816 Y HA -0.014 4.553 4.550 0.027 0.000 0.286 816 Y C 2.107 178.087 175.900 0.133 0.000 1.141 816 Y CA 0.471 58.647 58.100 0.126 0.000 1.299 816 Y CB 0.475 38.994 38.460 0.097 0.000 1.030 816 Y HN 0.168 nan 8.280 nan 0.000 0.543 817 Q N -0.329 119.627 119.800 0.261 0.000 2.217 817 Q HA 0.309 4.665 4.340 0.027 0.000 0.217 817 Q C 0.398 176.588 176.000 0.317 0.000 0.844 817 Q CA -0.263 55.698 55.803 0.264 0.000 0.957 817 Q CB 0.658 29.550 28.738 0.257 0.000 1.127 817 Q HN 0.269 nan 8.270 nan 0.000 0.503 818 A N 1.938 124.963 122.820 0.342 0.000 2.520 818 A HA 0.034 4.370 4.320 0.027 0.000 0.245 818 A C -0.232 177.672 177.584 0.533 0.000 1.072 818 A CA 0.260 52.569 52.037 0.453 0.000 0.761 818 A CB 0.108 19.398 19.000 0.483 0.000 1.004 818 A HN 0.193 nan 8.150 nan 0.000 0.499 819 E N 1.671 122.091 120.200 0.367 0.000 2.175 819 E HA 0.502 4.868 4.350 0.027 0.000 0.278 819 E C -0.176 176.363 176.600 -0.102 0.000 0.969 819 E CA -0.600 55.916 56.400 0.194 0.000 0.796 819 E CB 1.519 31.300 29.700 0.134 0.000 1.104 819 E HN 0.711 nan 8.360 nan 0.000 0.395 820 A N 2.547 125.162 122.820 -0.342 0.000 2.451 820 A HA 0.465 4.802 4.320 0.027 0.000 0.266 820 A C -0.037 177.371 177.584 -0.293 0.000 1.119 820 A CA -0.286 51.264 52.037 -0.811 0.000 0.786 820 A CB 0.201 18.933 19.000 -0.446 0.000 1.061 820 A HN 0.654 nan 8.150 nan 0.000 0.503 821 A N 2.950 125.603 122.820 -0.278 0.000 2.276 821 A HA 0.574 4.911 4.320 0.027 0.000 0.316 821 A C -0.307 177.202 177.584 -0.125 0.000 1.229 821 A CA -0.545 51.421 52.037 -0.118 0.000 0.851 821 A CB 0.385 19.337 19.000 -0.080 0.000 1.165 821 A HN 1.233 nan 8.150 nan 0.000 0.513 822 L N 3.274 124.418 121.223 -0.133 0.000 2.360 822 L HA 0.340 4.696 4.340 0.027 0.000 0.276 822 L C 0.420 177.165 176.870 -0.209 0.000 1.121 822 L CA 0.323 54.989 54.840 -0.290 0.000 0.845 822 L CB 0.367 42.260 42.059 -0.277 0.000 1.143 822 L HN 0.762 nan 8.230 nan 0.000 0.452 823 L N 3.415 124.496 121.223 -0.238 0.000 2.537 823 L HA 0.339 4.696 4.340 0.027 0.000 0.224 823 L C 0.370 177.171 176.870 -0.116 0.000 1.065 823 L CA 0.016 54.780 54.840 -0.126 0.000 0.860 823 L CB 0.030 42.046 42.059 -0.070 0.000 1.086 823 L HN 0.736 nan 8.230 nan 0.000 0.482 824 Q N -0.223 119.478 119.800 -0.165 0.000 2.403 824 Q HA 0.301 4.657 4.340 0.027 0.000 0.267 824 Q C -2.109 173.835 176.000 -0.094 0.000 0.991 824 Q CA -0.508 55.240 55.803 -0.092 0.000 0.906 824 Q CB 2.906 31.618 28.738 -0.042 0.000 1.422 824 Q HN 0.060 nan 8.270 nan 0.000 0.400 825 C N 3.416 122.703 119.300 -0.021 0.000 2.679 825 C HA 0.825 5.301 4.460 0.027 0.000 0.354 825 C C -0.820 174.283 174.990 0.187 0.000 1.067 825 C CA 0.471 59.524 59.018 0.057 0.000 1.317 825 C CB 0.588 28.348 27.740 0.033 0.000 1.843 825 C HN 0.815 nan 8.230 nan 0.000 0.459 826 T N 2.618 117.248 114.554 0.128 0.000 2.896 826 T HA 0.884 5.250 4.350 0.027 0.000 0.297 826 T C -0.617 173.891 174.700 -0.320 0.000 1.108 826 T CA -0.232 61.901 62.100 0.056 0.000 1.004 826 T CB 1.893 70.762 68.868 0.002 0.000 1.159 826 T HN 1.572 nan 8.240 nan 0.000 0.499 827 A N 1.782 124.216 122.820 -0.643 0.000 2.365 827 A HA 0.794 5.130 4.320 0.027 0.000 0.318 827 A C -1.061 176.267 177.584 -0.427 0.000 1.091 827 A CA -0.693 50.852 52.037 -0.819 0.000 0.763 827 A CB 1.248 19.324 19.000 -1.539 0.000 1.248 827 A HN 0.893 nan 8.150 nan 0.000 0.442 828 D N 0.778 120.982 120.400 -0.326 0.000 2.732 828 D HA 0.548 5.205 4.640 0.027 0.000 0.229 828 D C -0.885 175.303 176.300 -0.187 0.000 1.152 828 D CA 0.020 53.897 54.000 -0.205 0.000 0.854 828 D CB 2.412 43.127 40.800 -0.141 0.000 1.590 828 D HN 0.590 nan 8.370 nan 0.000 0.468 829 T N -0.114 114.358 114.554 -0.137 0.000 2.824 829 T HA 0.688 5.054 4.350 0.027 0.000 0.280 829 T C 0.386 175.039 174.700 -0.079 0.000 0.995 829 T CA -0.723 61.310 62.100 -0.111 0.000 1.009 829 T CB 1.511 70.324 68.868 -0.092 0.000 0.955 829 T HN 0.170 nan 8.240 nan 0.000 0.452 830 L N 1.041 122.222 121.223 -0.069 0.000 2.260 830 L HA 0.639 4.995 4.340 0.027 0.000 0.265 830 L C 1.825 178.674 176.870 -0.034 0.000 1.015 830 L CA -1.431 53.379 54.840 -0.050 0.000 0.826 830 L CB 1.164 43.192 42.059 -0.053 0.000 1.373 830 L HN 0.824 nan 8.230 nan 0.000 0.450 831 A N 0.005 122.811 122.820 -0.025 0.000 2.019 831 A HA -0.151 4.185 4.320 0.027 0.000 0.219 831 A C 0.864 178.440 177.584 -0.012 0.000 1.164 831 A CA 1.951 53.980 52.037 -0.015 0.000 0.644 831 A CB -0.485 18.509 19.000 -0.010 0.000 0.805 831 A HN 0.846 nan 8.150 nan 0.000 0.449 832 D N -2.991 117.397 120.400 -0.020 0.000 2.556 832 D HA 0.544 5.200 4.640 0.027 0.000 0.237 832 D C 0.105 176.387 176.300 -0.031 0.000 1.296 832 D CA 0.663 54.653 54.000 -0.018 0.000 0.807 832 D CB -0.321 40.469 40.800 -0.017 0.000 1.084 832 D HN 0.461 nan 8.370 nan 0.000 0.510 833 A N -0.533 122.259 122.820 -0.045 0.000 2.564 833 A HA 0.654 4.990 4.320 0.027 0.000 0.291 833 A C -1.746 175.782 177.584 -0.094 0.000 1.102 833 A CA -0.702 51.293 52.037 -0.071 0.000 0.660 833 A CB 1.302 20.259 19.000 -0.073 0.000 1.283 833 A HN -0.002 nan 8.150 nan 0.000 0.430 834 V N 0.433 120.268 119.914 -0.132 0.000 2.513 834 V HA 0.645 4.781 4.120 0.027 0.000 0.299 834 V C -1.013 174.968 176.094 -0.188 0.000 1.035 834 V CA -0.458 61.740 62.300 -0.170 0.000 0.889 834 V CB 1.435 33.144 31.823 -0.190 0.000 0.988 834 V HN 0.814 nan 8.190 nan 0.000 0.440 835 L N 6.174 127.273 121.223 -0.207 0.000 2.343 835 L HA 0.627 4.984 4.340 0.027 0.000 0.278 835 L C -0.877 175.829 176.870 -0.273 0.000 0.996 835 L CA 0.023 54.750 54.840 -0.188 0.000 0.831 835 L CB 1.164 43.145 42.059 -0.130 0.000 1.232 835 L HN 0.398 nan 8.230 nan 0.000 0.413 836 I N 4.019 124.417 120.570 -0.287 0.000 2.404 836 I HA 0.425 4.612 4.170 0.027 0.000 0.293 836 I C 0.016 176.077 176.117 -0.094 0.000 0.992 836 I CA -0.254 60.812 61.300 -0.389 0.000 1.149 836 I CB 1.685 39.159 38.000 -0.877 0.000 1.315 836 I HN 0.527 nan 8.210 nan 0.000 0.446 837 T N 5.183 119.692 114.554 -0.075 0.000 2.792 837 T HA 0.631 4.997 4.350 0.027 0.000 0.280 837 T C 0.183 174.919 174.700 0.061 0.000 0.990 837 T CA -0.491 61.623 62.100 0.023 0.000 0.960 837 T CB 1.537 70.395 68.868 -0.016 0.000 0.939 837 T HN 0.772 nan 8.240 nan 0.000 0.439 838 T N -0.319 114.314 114.554 0.131 0.000 2.901 838 T HA 0.890 5.256 4.350 0.027 0.000 0.293 838 T C -1.134 173.619 174.700 0.087 0.000 1.084 838 T CA -1.113 61.044 62.100 0.095 0.000 1.008 838 T CB 2.060 71.063 68.868 0.225 0.000 1.170 838 T HN 0.749 nan 8.240 nan 0.000 0.509 839 A N 1.313 124.106 122.820 -0.045 0.000 2.488 839 A HA 0.738 5.075 4.320 0.027 0.000 0.295 839 A C -1.516 175.968 177.584 -0.167 0.000 1.045 839 A CA -0.773 51.277 52.037 0.023 0.000 0.703 839 A CB 0.842 19.862 19.000 0.032 0.000 1.271 839 A HN 0.993 nan 8.150 nan 0.000 0.400 840 H N 0.134 119.260 119.070 0.093 0.000 2.821 840 H HA 0.791 5.364 4.556 0.027 0.000 0.373 840 H C -0.024 175.322 175.328 0.030 0.000 1.165 840 H CA 0.264 56.289 56.048 -0.040 0.000 1.154 840 H CB 2.147 31.799 29.762 -0.184 0.000 1.765 840 H HN 1.000 nan 8.280 nan 0.000 0.549 841 A N 1.838 124.663 122.820 0.008 0.000 2.342 841 A HA 0.443 4.780 4.320 0.027 0.000 0.323 841 A C -1.299 176.245 177.584 -0.066 0.000 1.125 841 A CA -0.690 51.404 52.037 0.095 0.000 0.785 841 A CB 1.041 20.078 19.000 0.061 0.000 1.221 841 A HN 0.580 nan 8.150 nan 0.000 0.463 842 W N 1.844 123.256 121.300 0.187 0.000 2.429 842 W HA 0.464 5.141 4.660 0.028 0.000 0.314 842 W C -0.486 176.066 176.519 0.055 0.000 1.062 842 W CA -0.135 57.320 57.345 0.183 0.000 1.211 842 W CB 1.856 31.485 29.460 0.282 0.000 1.305 842 W HN 0.792 nan 8.180 nan 0.000 0.476 843 Q N 1.361 121.298 119.800 0.228 0.000 2.451 843 Q HA 0.432 4.788 4.340 0.027 0.000 0.281 843 Q C -0.913 175.225 176.000 0.230 0.000 1.099 843 Q CA -0.811 55.086 55.803 0.156 0.000 0.806 843 Q CB 3.514 32.300 28.738 0.080 0.000 1.419 843 Q HN 0.359 nan 8.270 nan 0.000 0.427 844 H N 1.420 120.528 119.070 0.062 0.000 3.096 844 H HA 0.113 4.686 4.556 0.027 0.000 0.335 844 H C -0.971 174.389 175.328 0.053 0.000 0.990 844 H CA -0.196 55.898 56.048 0.075 0.000 1.393 844 H CB 1.100 30.918 29.762 0.095 0.000 1.742 844 H HN 0.816 nan 8.280 nan 0.000 0.501 845 Q N 3.098 122.684 119.800 -0.357 0.000 2.435 845 Q HA -0.268 4.088 4.340 0.027 0.000 0.312 845 Q C 1.003 176.959 176.000 -0.074 0.000 1.333 845 Q CA 1.194 56.858 55.803 -0.231 0.000 0.883 845 Q CB -1.280 27.304 28.738 -0.257 0.000 1.170 845 Q HN 1.188 nan 8.270 nan 0.000 0.443 846 G N -0.532 108.246 108.800 -0.036 0.000 2.268 846 G HA2 -0.370 3.607 3.960 0.027 0.000 0.240 846 G HA3 -0.370 3.607 3.960 0.027 0.000 0.240 846 G C 0.083 174.991 174.900 0.013 0.000 1.010 846 G CA 0.348 45.444 45.100 -0.007 0.000 0.618 846 G HN 0.412 nan 8.290 nan 0.000 0.516 847 K N 1.201 121.619 120.400 0.030 0.000 2.138 847 K HA 0.621 4.957 4.320 0.027 0.000 0.263 847 K C -0.448 176.169 176.600 0.028 0.000 0.965 847 K CA -0.189 56.118 56.287 0.032 0.000 0.868 847 K CB 0.985 33.508 32.500 0.039 0.000 1.083 847 K HN 0.002 nan 8.250 nan 0.000 0.443 848 T N 5.394 119.955 114.554 0.012 0.000 2.727 848 T HA 0.202 4.569 4.350 0.027 0.000 0.298 848 T C 1.208 175.858 174.700 -0.083 0.000 0.942 848 T CA -0.431 61.672 62.100 0.004 0.000 0.997 848 T CB 0.488 69.377 68.868 0.035 0.000 0.917 848 T HN 0.544 nan 8.240 nan 0.000 0.487 849 L N 2.488 123.575 121.223 -0.226 0.000 2.102 849 L HA 0.312 4.669 4.340 0.027 0.000 0.202 849 L C -0.012 176.388 176.870 -0.783 0.000 1.076 849 L CA 1.037 55.461 54.840 -0.694 0.000 0.761 849 L CB 0.007 41.273 42.059 -1.321 0.000 0.921 849 L HN 0.530 nan 8.230 nan 0.000 0.444 850 F N -1.354 118.553 119.950 -0.073 0.000 2.613 850 F HA 0.550 5.093 4.527 0.027 0.000 0.310 850 F C -0.541 175.351 175.800 0.155 0.000 1.085 850 F CA -0.841 57.056 58.000 -0.172 0.000 0.945 850 F CB 2.022 40.526 39.000 -0.828 0.000 1.298 850 F HN -0.331 nan 8.300 nan 0.000 0.455 851 I N 1.449 122.229 120.570 0.350 0.000 2.465 851 I HA 0.393 4.579 4.170 0.027 0.000 0.291 851 I C -0.766 175.613 176.117 0.437 0.000 1.014 851 I CA -0.553 60.985 61.300 0.396 0.000 1.093 851 I CB 2.205 40.353 38.000 0.248 0.000 1.267 851 I HN 0.518 nan 8.210 nan 0.000 0.431 852 S N 6.612 122.664 115.700 0.586 0.000 2.498 852 S HA 0.569 5.056 4.470 0.027 0.000 0.317 852 S C -0.688 174.151 174.600 0.398 0.000 1.090 852 S CA -0.678 57.833 58.200 0.518 0.000 1.089 852 S CB 0.684 64.301 63.200 0.694 0.000 0.997 852 S HN 0.534 nan 8.310 nan 0.000 0.470 853 R N 3.512 124.173 120.500 0.269 0.000 2.445 853 R HA 0.587 4.943 4.340 0.027 0.000 0.308 853 R C -0.681 175.694 176.300 0.126 0.000 0.961 853 R CA -0.770 55.444 56.100 0.191 0.000 0.862 853 R CB 1.781 32.168 30.300 0.145 0.000 1.144 853 R HN 0.568 nan 8.270 nan 0.000 0.447 854 K N 0.732 121.198 120.400 0.111 0.000 2.509 854 K HA 0.461 4.798 4.320 0.027 0.000 0.266 854 K C -0.881 175.710 176.600 -0.015 0.000 0.987 854 K CA -0.876 55.404 56.287 -0.011 0.000 0.868 854 K CB 2.626 35.103 32.500 -0.038 0.000 1.421 854 K HN 0.664 nan 8.250 nan 0.000 0.444 855 T N -1.522 112.955 114.554 -0.129 0.000 2.909 855 T HA 0.599 4.965 4.350 0.027 0.000 0.299 855 T C -1.329 173.270 174.700 -0.169 0.000 1.073 855 T CA -0.762 61.309 62.100 -0.049 0.000 0.999 855 T CB 0.661 69.515 68.868 -0.024 0.000 1.098 855 T HN 0.394 nan 8.240 nan 0.000 0.477 856 Y N 0.514 120.784 120.300 -0.049 0.000 2.361 856 Y HA 0.659 5.225 4.550 0.027 0.000 0.337 856 Y C 0.321 176.153 175.900 -0.113 0.000 0.965 856 Y CA -1.127 56.961 58.100 -0.021 0.000 1.091 856 Y CB 2.066 40.546 38.460 0.033 0.000 1.182 856 Y HN 0.762 nan 8.280 nan 0.000 0.450 857 R N 4.504 125.033 120.500 0.049 0.000 2.388 857 R HA 0.625 4.981 4.340 0.027 0.000 0.314 857 R C -1.688 174.555 176.300 -0.095 0.000 0.959 857 R CA -0.314 55.761 56.100 -0.042 0.000 0.851 857 R CB 0.546 30.828 30.300 -0.031 0.000 1.168 857 R HN 0.794 nan 8.270 nan 0.000 0.472 858 I N 5.076 125.528 120.570 -0.197 0.000 2.321 858 I HA 0.192 4.378 4.170 0.027 0.000 0.291 858 I C -0.224 175.758 176.117 -0.225 0.000 0.998 858 I CA -0.723 60.375 61.300 -0.337 0.000 1.227 858 I CB 1.394 38.997 38.000 -0.662 0.000 1.368 858 I HN 0.711 nan 8.210 nan 0.000 0.466 859 D N 4.338 124.643 120.400 -0.157 0.000 2.384 859 D HA 0.241 4.897 4.640 0.027 0.000 0.250 859 D C 1.184 177.460 176.300 -0.041 0.000 1.029 859 D CA -0.776 53.176 54.000 -0.079 0.000 0.990 859 D CB 1.263 42.038 40.800 -0.041 0.000 1.175 859 D HN 0.515 nan 8.370 nan 0.000 0.532 860 G N -0.935 107.857 108.800 -0.014 0.000 2.501 860 G HA2 -0.216 3.760 3.960 0.027 0.000 0.220 860 G HA3 -0.216 3.760 3.960 0.027 0.000 0.220 860 G C 1.149 176.067 174.900 0.029 0.000 1.114 860 G CA 1.130 46.240 45.100 0.016 0.000 0.757 860 G HN 0.576 nan 8.290 nan 0.000 0.559 861 S N -1.096 114.615 115.700 0.017 0.000 2.558 861 S HA 0.376 4.863 4.470 0.027 0.000 0.217 861 S C 1.861 176.510 174.600 0.082 0.000 0.975 861 S CA 0.907 59.125 58.200 0.030 0.000 0.912 861 S CB 0.094 63.301 63.200 0.012 0.000 0.776 861 S HN 1.451 nan 8.310 nan 0.000 0.526 862 G N 0.597 109.459 108.800 0.104 0.000 2.176 862 G HA2 -0.249 3.728 3.960 0.027 0.000 0.253 862 G HA3 -0.249 3.728 3.960 0.027 0.000 0.253 862 G C -0.171 174.864 174.900 0.224 0.000 0.979 862 G CA 0.101 45.338 45.100 0.229 0.000 0.641 862 G HN 0.607 nan 8.290 nan 0.000 0.530 863 Q N -0.336 119.529 119.800 0.108 0.000 2.259 863 Q HA 0.654 5.010 4.340 0.027 0.000 0.249 863 Q C 0.210 176.234 176.000 0.041 0.000 0.914 863 Q CA -0.173 55.702 55.803 0.120 0.000 0.904 863 Q CB 1.502 30.294 28.738 0.089 0.000 1.213 863 Q HN 0.451 nan 8.270 nan 0.000 0.428 864 M N 1.997 121.663 119.600 0.110 0.000 2.078 864 M HA 0.520 5.016 4.480 0.027 0.000 0.320 864 M C -1.430 174.970 176.300 0.166 0.000 0.969 864 M CA -0.529 54.800 55.300 0.048 0.000 0.929 864 M CB 1.073 33.723 32.600 0.083 0.000 1.504 864 M HN 0.699 nan 8.290 nan 0.000 0.419 865 A N 6.873 129.751 122.820 0.098 0.000 2.276 865 A HA 0.641 4.977 4.320 0.027 0.000 0.300 865 A C -0.721 176.893 177.584 0.050 0.000 1.235 865 A CA -0.550 51.541 52.037 0.091 0.000 0.867 865 A CB -0.048 18.986 19.000 0.057 0.000 1.137 865 A HN 0.921 nan 8.150 nan 0.000 0.527 866 I N 2.725 123.309 120.570 0.023 0.000 2.330 866 I HA 0.291 4.478 4.170 0.027 0.000 0.289 866 I C -0.152 175.842 176.117 -0.206 0.000 1.001 866 I CA -0.145 61.060 61.300 -0.158 0.000 1.193 866 I CB 1.910 39.840 38.000 -0.117 0.000 1.345 866 I HN 0.491 nan 8.210 nan 0.000 0.461 867 T N 5.896 120.299 114.554 -0.252 0.000 2.779 867 T HA 0.567 4.933 4.350 0.027 0.000 0.280 867 T C -0.238 174.268 174.700 -0.322 0.000 0.987 867 T CA -0.494 61.464 62.100 -0.236 0.000 0.966 867 T CB 1.773 70.602 68.868 -0.066 0.000 0.933 867 T HN 0.209 nan 8.240 nan 0.000 0.442 868 V N 3.461 123.070 119.914 -0.508 0.000 2.588 868 V HA 0.475 4.612 4.120 0.027 0.000 0.304 868 V C -0.859 175.092 176.094 -0.238 0.000 1.042 868 V CA -0.931 61.112 62.300 -0.428 0.000 0.877 868 V CB 2.182 33.481 31.823 -0.873 0.000 0.996 868 V HN 0.839 nan 8.190 nan 0.000 0.425 869 D N 3.224 123.640 120.400 0.026 0.000 2.505 869 D HA 0.521 5.177 4.640 0.027 0.000 0.250 869 D C -0.925 175.509 176.300 0.222 0.000 1.164 869 D CA -0.073 54.036 54.000 0.183 0.000 0.870 869 D CB 2.616 43.538 40.800 0.204 0.000 1.160 869 D HN 0.240 nan 8.370 nan 0.000 0.549 870 V N 2.314 122.399 119.914 0.285 0.000 2.667 870 V HA 0.329 4.465 4.120 0.027 0.000 0.308 870 V C 0.143 176.385 176.094 0.247 0.000 1.048 870 V CA -0.656 61.820 62.300 0.294 0.000 0.928 870 V CB 2.485 34.520 31.823 0.354 0.000 1.004 870 V HN 0.360 nan 8.190 nan 0.000 0.444 871 E N 2.100 122.428 120.200 0.214 0.000 2.212 871 E HA 0.669 5.035 4.350 0.027 0.000 0.268 871 E C -1.634 175.077 176.600 0.185 0.000 0.902 871 E CA -0.624 55.882 56.400 0.176 0.000 0.779 871 E CB 2.631 32.418 29.700 0.145 0.000 1.172 871 E HN 0.389 nan 8.360 nan 0.000 0.409 872 V N 1.916 121.943 119.914 0.188 0.000 2.483 872 V HA 0.368 4.504 4.120 0.027 0.000 0.297 872 V C -0.080 176.109 176.094 0.159 0.000 1.027 872 V CA -0.926 61.509 62.300 0.225 0.000 0.855 872 V CB 1.527 33.514 31.823 0.273 0.000 0.995 872 V HN 0.840 nan 8.190 nan 0.000 0.424 873 A N 3.421 126.295 122.820 0.089 0.000 2.546 873 A HA 0.304 4.641 4.320 0.027 0.000 0.243 873 A C 1.649 179.308 177.584 0.126 0.000 1.063 873 A CA 0.630 52.709 52.037 0.071 0.000 0.757 873 A CB 0.281 19.285 19.000 0.006 0.000 0.991 873 A HN 1.398 nan 8.150 nan 0.000 0.503 874 S N 1.349 117.120 115.700 0.118 0.000 2.419 874 S HA -0.174 4.312 4.470 0.027 0.000 0.235 874 S C 0.898 175.584 174.600 0.145 0.000 1.019 874 S CA 1.455 59.745 58.200 0.150 0.000 0.982 874 S CB -0.319 62.946 63.200 0.108 0.000 0.789 874 S HN 0.820 nan 8.310 nan 0.000 0.490 875 D N 0.254 120.710 120.400 0.093 0.000 2.340 875 D HA 0.151 4.808 4.640 0.027 0.000 0.217 875 D C 0.466 176.804 176.300 0.062 0.000 1.081 875 D CA 0.006 54.044 54.000 0.062 0.000 0.842 875 D CB -0.353 40.470 40.800 0.039 0.000 0.934 875 D HN 0.318 nan 8.370 nan 0.000 0.511 876 T N 1.562 116.180 114.554 0.107 0.000 2.928 876 T HA 0.383 4.749 4.350 0.027 0.000 0.284 876 T C -2.590 172.225 174.700 0.192 0.000 1.008 876 T CA -1.947 60.243 62.100 0.150 0.000 1.057 876 T CB 1.298 70.267 68.868 0.168 0.000 1.018 876 T HN -0.137 nan 8.240 nan 0.000 0.493 877 P HA 0.069 nan 4.420 nan 0.000 0.266 877 P C -0.616 176.993 177.300 0.515 0.000 1.195 877 P CA 0.102 63.313 63.100 0.184 0.000 0.768 877 P CB 0.016 31.811 31.700 0.158 0.000 0.838 878 H N 3.383 122.822 119.070 0.615 0.000 2.928 878 H HA 0.097 4.669 4.556 0.027 0.000 0.338 878 H C -1.548 174.124 175.328 0.572 0.000 1.047 878 H CA -1.337 55.011 56.048 0.500 0.000 1.435 878 H CB -0.353 29.643 29.762 0.391 0.000 1.428 878 H HN 0.386 nan 8.280 nan 0.000 0.590 879 P HA 0.030 nan 4.420 nan 0.000 0.276 879 P C 0.113 177.319 177.300 -0.156 0.000 1.244 879 P CA -0.335 62.853 63.100 0.146 0.000 0.801 879 P CB 1.202 32.824 31.700 -0.131 0.000 1.006 880 A N 3.144 125.613 122.820 -0.586 0.000 1.972 880 A HA -0.116 4.221 4.320 0.027 0.000 0.219 880 A C 1.070 178.270 177.584 -0.640 0.000 1.169 880 A CA 1.379 53.024 52.037 -0.654 0.000 0.635 880 A CB -0.560 17.806 19.000 -1.057 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.446 881 R N -3.005 117.158 120.500 -0.562 0.000 2.728 881 R HA 0.735 5.091 4.340 0.027 0.000 0.274 881 R C -1.687 174.373 176.300 -0.400 0.000 1.030 881 R CA -0.832 54.957 56.100 -0.518 0.000 0.876 881 R CB 0.833 30.800 30.300 -0.554 0.000 1.259 881 R HN -0.001 nan 8.270 nan 0.000 0.468 882 I N 1.058 121.426 120.570 -0.337 0.000 2.542 882 I HA 0.613 4.800 4.170 0.027 0.000 0.278 882 I C -0.434 175.445 176.117 -0.396 0.000 1.069 882 I CA -0.327 60.797 61.300 -0.294 0.000 1.100 882 I CB 1.833 39.728 38.000 -0.176 0.000 1.204 882 I HN 0.958 nan 8.210 nan 0.000 0.470 883 G N 5.653 114.162 108.800 -0.485 0.000 2.731 883 G HA2 0.784 4.760 3.960 0.027 0.000 0.309 883 G HA3 0.784 4.760 3.960 0.027 0.000 0.309 883 G C -1.610 173.124 174.900 -0.276 0.000 1.273 883 G CA -0.581 44.286 45.100 -0.388 0.000 0.798 883 G HN 0.250 nan 8.290 nan 0.000 0.509 884 L N 0.746 121.862 121.223 -0.179 0.000 2.333 884 L HA 0.650 5.006 4.340 0.027 0.000 0.263 884 L C -0.759 176.017 176.870 -0.156 0.000 1.014 884 L CA -1.159 53.604 54.840 -0.129 0.000 0.820 884 L CB 2.488 44.551 42.059 0.006 0.000 1.352 884 L HN 0.795 nan 8.230 nan 0.000 0.421 885 N N 0.421 119.057 118.700 -0.108 0.000 2.610 885 N HA 0.729 5.485 4.740 0.027 0.000 0.264 885 N C -1.212 174.313 175.510 0.025 0.000 1.348 885 N CA -0.652 52.370 53.050 -0.047 0.000 0.819 885 N CB 2.196 40.681 38.487 -0.002 0.000 1.521 885 N HN 0.858 nan 8.380 nan 0.000 0.497 886 C N -1.610 117.721 119.300 0.051 0.000 3.307 886 C HA 0.598 5.075 4.460 0.027 0.000 0.333 886 C C -1.287 173.510 174.990 -0.321 0.000 1.291 886 C CA -0.848 58.137 59.018 -0.055 0.000 1.273 886 C CB 1.000 28.746 27.740 0.009 0.000 1.580 886 C HN 0.875 nan 8.230 nan 0.000 0.481 887 Q N 1.681 121.062 119.800 -0.697 0.000 2.394 887 Q HA 0.642 4.998 4.340 0.027 0.000 0.259 887 Q C -1.048 174.651 176.000 -0.501 0.000 1.021 887 Q CA -0.438 54.707 55.803 -1.097 0.000 0.805 887 Q CB 0.873 28.608 28.738 -1.671 0.000 1.226 887 Q HN 0.793 nan 8.270 nan 0.000 0.476 888 L N 2.528 123.574 121.223 -0.296 0.000 2.417 888 L HA 0.243 4.600 4.340 0.027 0.000 0.268 888 L C 1.258 178.068 176.870 -0.100 0.000 1.158 888 L CA -0.132 54.658 54.840 -0.084 0.000 0.819 888 L CB 0.818 42.941 42.059 0.106 0.000 1.112 888 L HN 0.821 nan 8.230 nan 0.000 0.458 889 A N 2.067 124.849 122.820 -0.063 0.000 2.015 889 A HA -0.116 4.220 4.320 0.027 0.000 0.219 889 A C 1.090 178.660 177.584 -0.024 0.000 1.163 889 A CA 0.681 52.676 52.037 -0.071 0.000 0.646 889 A CB -0.274 18.678 19.000 -0.081 0.000 0.806 889 A HN 0.790 nan 8.150 nan 0.000 0.448 890 Q N -0.291 119.530 119.800 0.035 0.000 2.306 890 Q HA 0.466 4.822 4.340 0.027 0.000 0.241 890 Q C -1.178 174.865 176.000 0.072 0.000 0.948 890 Q CA -0.023 55.798 55.803 0.029 0.000 0.886 890 Q CB 1.114 29.882 28.738 0.050 0.000 1.227 890 Q HN 0.119 nan 8.270 nan 0.000 0.457 891 V N 3.029 122.954 119.914 0.018 0.000 2.407 891 V HA 0.793 4.930 4.120 0.027 0.000 0.291 891 V C -0.607 175.463 176.094 -0.040 0.000 1.018 891 V CA -0.405 61.939 62.300 0.074 0.000 0.842 891 V CB 0.990 32.836 31.823 0.039 0.000 0.996 891 V HN 0.895 nan 8.190 nan 0.000 0.426 892 A N 3.187 125.932 122.820 -0.125 0.000 2.354 892 A HA 0.764 5.101 4.320 0.027 0.000 0.321 892 A C 0.617 178.211 177.584 0.017 0.000 1.125 892 A CA -0.484 51.412 52.037 -0.236 0.000 0.799 892 A CB 1.361 19.970 19.000 -0.651 0.000 1.293 892 A HN 0.810 nan 8.150 nan 0.000 0.452 893 E N 0.057 120.263 120.200 0.011 0.000 2.072 893 E HA -0.062 4.304 4.350 0.027 0.000 0.191 893 E C 0.357 177.032 176.600 0.125 0.000 0.985 893 E CA 1.109 57.549 56.400 0.066 0.000 0.801 893 E CB 0.129 29.850 29.700 0.035 0.000 0.750 893 E HN 0.472 nan 8.360 nan 0.000 0.452 894 R N -0.236 120.348 120.500 0.140 0.000 2.832 894 R HA 0.523 4.879 4.340 0.027 0.000 0.271 894 R C -0.970 175.517 176.300 0.312 0.000 0.996 894 R CA -0.924 55.292 56.100 0.193 0.000 0.977 894 R CB 1.626 32.011 30.300 0.141 0.000 1.168 894 R HN -0.168 nan 8.270 nan 0.000 0.482 895 V N 1.960 122.072 119.914 0.330 0.000 2.483 895 V HA 0.363 4.499 4.120 0.027 0.000 0.297 895 V C -0.325 176.053 176.094 0.474 0.000 1.027 895 V CA -0.933 61.602 62.300 0.392 0.000 0.855 895 V CB 1.834 33.826 31.823 0.282 0.000 0.995 895 V HN 0.649 nan 8.190 nan 0.000 0.424 896 N N 4.661 123.612 118.700 0.420 0.000 2.354 896 N HA 0.533 5.289 4.740 0.027 0.000 0.287 896 N C -1.341 174.425 175.510 0.425 0.000 1.016 896 N CA -0.422 52.842 53.050 0.356 0.000 0.871 896 N CB 2.620 41.213 38.487 0.176 0.000 1.299 896 N HN 0.810 nan 8.380 nan 0.000 0.482 897 W N 3.221 124.566 121.300 0.075 0.000 3.118 897 W HA 0.595 5.271 4.660 0.027 0.000 0.328 897 W C -1.992 174.500 176.519 -0.045 0.000 1.239 897 W CA -1.141 56.222 57.345 0.029 0.000 1.176 897 W CB 0.744 30.239 29.460 0.060 0.000 1.433 897 W HN 0.228 nan 8.180 nan 0.000 0.562 898 L N 3.973 125.164 121.223 -0.053 0.000 2.295 898 L HA 0.914 5.270 4.340 0.027 0.000 0.281 898 L C -0.020 176.666 176.870 -0.308 0.000 1.018 898 L CA 0.311 54.928 54.840 -0.371 0.000 0.841 898 L CB 0.628 42.569 42.059 -0.196 0.000 1.218 898 L HN 0.983 nan 8.230 nan 0.000 0.424 899 G N 3.759 112.198 108.800 -0.602 0.000 2.348 899 G HA2 0.224 4.200 3.960 0.027 0.000 0.296 899 G HA3 0.224 4.200 3.960 0.027 0.000 0.296 899 G C -1.689 173.251 174.900 0.067 0.000 1.258 899 G CA -1.040 43.997 45.100 -0.105 0.000 0.868 899 G HN 0.435 nan 8.290 nan 0.000 0.488 900 L N 0.898 122.321 121.223 0.332 0.000 2.380 900 L HA 0.632 4.989 4.340 0.027 0.000 0.273 900 L C 1.064 178.078 176.870 0.240 0.000 1.138 900 L CA 0.701 55.698 54.840 0.262 0.000 0.832 900 L CB 0.835 42.993 42.059 0.164 0.000 1.124 900 L HN 1.156 nan 8.230 nan 0.000 0.454 901 G N 2.564 111.326 108.800 -0.064 0.000 2.428 901 G HA2 0.253 4.230 3.960 0.027 0.000 0.305 901 G HA3 0.253 4.230 3.960 0.027 0.000 0.305 901 G C -2.756 171.409 174.900 -1.225 0.000 1.260 901 G CA -0.263 44.450 45.100 -0.644 0.000 0.853 901 G HN 0.318 nan 8.290 nan 0.000 0.480 902 P HA 0.100 nan 4.420 nan 0.000 0.235 902 P C 0.461 177.552 177.300 -0.349 0.000 1.177 902 P CA 0.580 63.011 63.100 -1.116 0.000 0.785 902 P CB 0.519 31.665 31.700 -0.923 0.000 0.885 903 Q N 0.435 120.034 119.800 -0.336 0.000 2.316 903 Q HA 0.160 4.516 4.340 0.027 0.000 0.215 903 Q C 0.364 176.252 176.000 -0.186 0.000 1.020 903 Q CA -0.668 55.015 55.803 -0.199 0.000 0.970 903 Q CB 0.674 29.313 28.738 -0.164 0.000 1.187 903 Q HN 0.114 nan 8.270 nan 0.000 0.546 904 E N 1.209 121.306 120.200 -0.171 0.000 2.502 904 E HA -0.114 4.252 4.350 0.027 0.000 0.261 904 E C -1.112 175.408 176.600 -0.134 0.000 0.974 904 E CA 0.292 56.580 56.400 -0.186 0.000 0.936 904 E CB 0.259 29.916 29.700 -0.072 0.000 0.926 904 E HN 0.582 nan 8.360 nan 0.000 0.459 905 N N 2.565 121.117 118.700 -0.247 0.000 2.331 905 N HA 0.349 5.106 4.740 0.027 0.000 0.280 905 N C -1.870 173.425 175.510 -0.358 0.000 1.155 905 N CA -0.669 52.282 53.050 -0.165 0.000 0.822 905 N CB 0.783 39.192 38.487 -0.130 0.000 1.619 905 N HN 0.236 nan 8.380 nan 0.000 0.476 906 Y N -0.256 119.950 120.300 -0.156 0.000 2.605 906 Y HA 0.502 5.068 4.550 0.027 0.000 0.343 906 Y C -1.721 174.095 175.900 -0.140 0.000 1.036 906 Y CA -2.077 55.914 58.100 -0.181 0.000 1.065 906 Y CB 1.895 40.242 38.460 -0.188 0.000 1.288 906 Y HN 0.436 nan 8.280 nan 0.000 0.481 907 P HA -0.184 nan 4.420 nan 0.000 0.216 907 P C 0.447 177.586 177.300 -0.269 0.000 1.154 907 P CA 2.220 65.335 63.100 0.025 0.000 0.865 907 P CB 0.217 32.049 31.700 0.220 0.000 0.789 908 D N -2.293 117.729 120.400 -0.630 0.000 2.340 908 D HA -0.003 4.653 4.640 0.027 0.000 0.217 908 D C 0.730 176.861 176.300 -0.282 0.000 1.081 908 D CA 0.109 53.535 54.000 -0.956 0.000 0.842 908 D CB -0.260 39.780 40.800 -1.267 0.000 0.934 908 D HN 0.133 nan 8.370 nan 0.000 0.511 909 R N 1.041 121.482 120.500 -0.099 0.000 2.638 909 R HA 0.205 4.562 4.340 0.027 0.000 0.261 909 R C -0.594 175.732 176.300 0.044 0.000 1.515 909 R CA -0.181 55.928 56.100 0.015 0.000 1.623 909 R CB 0.018 30.333 30.300 0.024 0.000 1.347 909 R HN 0.091 nan 8.270 nan 0.000 0.705 910 L N -1.765 119.491 121.223 0.056 0.000 3.298 910 L HA 0.345 4.701 4.340 0.027 0.000 0.296 910 L C 1.363 178.290 176.870 0.095 0.000 1.237 910 L CA 0.017 54.891 54.840 0.057 0.000 1.038 910 L CB 0.234 42.316 42.059 0.038 0.000 1.423 910 L HN 0.087 nan 8.230 nan 0.000 0.605 911 T N -2.519 112.120 114.554 0.141 0.000 2.867 911 T HA -0.021 4.346 4.350 0.027 0.000 0.268 911 T C 1.801 176.555 174.700 0.090 0.000 1.057 911 T CA 1.325 63.537 62.100 0.186 0.000 1.136 911 T CB -0.325 68.711 68.868 0.280 0.000 0.874 911 T HN 0.381 nan 8.240 nan 0.000 0.466 912 A N 1.620 124.497 122.820 0.096 0.000 2.066 912 A HA 0.629 4.965 4.320 0.027 0.000 0.218 912 A C 1.624 179.270 177.584 0.104 0.000 1.157 912 A CA 0.564 52.614 52.037 0.023 0.000 0.670 912 A CB -0.963 18.192 19.000 0.259 0.000 0.804 912 A HN 0.851 nan 8.150 nan 0.000 0.453 913 A N -1.202 121.641 122.820 0.038 0.000 2.366 913 A HA 0.461 4.797 4.320 0.027 0.000 0.249 913 A C 0.021 177.632 177.584 0.046 0.000 1.084 913 A CA -0.048 51.980 52.037 -0.014 0.000 0.794 913 A CB -0.045 18.940 19.000 -0.025 0.000 1.034 913 A HN 0.491 nan 8.150 nan 0.000 0.491 914 C N 0.091 119.424 119.300 0.054 0.000 2.561 914 C HA 0.533 5.009 4.460 0.027 0.000 0.319 914 C C -0.185 174.922 174.990 0.195 0.000 1.198 914 C CA -0.489 58.609 59.018 0.133 0.000 1.665 914 C CB 0.854 28.678 27.740 0.141 0.000 2.258 914 C HN 0.777 nan 8.230 nan 0.000 0.493 915 F N 3.642 123.454 119.950 -0.229 0.000 2.438 915 F HA 0.468 5.012 4.527 0.027 0.000 0.360 915 F C 0.317 175.730 175.800 -0.646 0.000 1.118 915 F CA 1.189 58.899 58.000 -0.485 0.000 1.164 915 F CB -0.130 38.211 39.000 -1.099 0.000 1.131 915 F HN 0.627 nan 8.300 nan 0.000 0.527 916 D N 3.413 123.151 120.400 -1.102 0.000 2.792 916 D HA 0.203 4.860 4.640 0.027 0.000 0.335 916 D C -1.605 173.773 176.300 -1.536 0.000 1.353 916 D CA -0.755 52.487 54.000 -1.264 0.000 0.839 916 D CB 1.438 41.342 40.800 -1.492 0.000 1.396 916 D HN 0.482 nan 8.370 nan 0.000 0.479 917 R N 0.796 120.508 120.500 -1.314 0.000 2.207 917 R HA 0.537 4.894 4.340 0.027 0.000 0.334 917 R C -1.289 174.311 176.300 -1.166 0.000 1.013 917 R CA -0.276 55.213 56.100 -1.018 0.000 0.858 917 R CB 0.242 30.192 30.300 -0.583 0.000 1.094 917 R HN 0.294 nan 8.270 nan 0.000 0.457 918 W N 2.673 123.449 121.300 -0.873 0.000 2.639 918 W HA 0.417 5.093 4.660 0.027 0.000 0.347 918 W C -0.461 175.682 176.519 -0.627 0.000 1.067 918 W CA -0.720 56.077 57.345 -0.913 0.000 1.218 918 W CB 1.716 30.178 29.460 -1.664 0.000 1.393 918 W HN 0.387 nan 8.180 nan 0.000 0.557 919 D N 2.567 122.946 120.400 -0.034 0.000 2.616 919 D HA 0.411 5.068 4.640 0.027 0.000 0.238 919 D C -1.580 174.822 176.300 0.169 0.000 1.354 919 D CA -0.167 53.894 54.000 0.102 0.000 0.970 919 D CB 1.022 41.843 40.800 0.034 0.000 1.369 919 D HN 0.369 nan 8.370 nan 0.000 0.585 920 L N 3.250 124.646 121.223 0.289 0.000 2.350 920 L HA 0.574 4.931 4.340 0.027 0.000 0.260 920 L C -2.237 174.751 176.870 0.197 0.000 1.015 920 L CA -2.148 52.831 54.840 0.232 0.000 0.821 920 L CB 2.698 44.935 42.059 0.296 0.000 1.370 920 L HN 0.184 nan 8.230 nan 0.000 0.416 921 P HA 0.010 nan 4.420 nan 0.000 0.269 921 P C 0.559 177.940 177.300 0.135 0.000 1.215 921 P CA -0.345 62.829 63.100 0.123 0.000 0.780 921 P CB 0.970 32.723 31.700 0.087 0.000 0.898 922 L N 3.261 124.570 121.223 0.144 0.000 2.081 922 L HA -0.246 4.110 4.340 0.027 0.000 0.212 922 L C 2.337 179.261 176.870 0.090 0.000 1.080 922 L CA 2.663 57.577 54.840 0.123 0.000 0.754 922 L CB -1.442 40.707 42.059 0.150 0.000 0.893 922 L HN 0.461 nan 8.230 nan 0.000 0.433 923 S N -1.662 114.094 115.700 0.094 0.000 2.400 923 S HA -0.208 4.278 4.470 0.027 0.000 0.232 923 S C 1.648 176.320 174.600 0.120 0.000 1.025 923 S CA 1.250 59.521 58.200 0.117 0.000 0.993 923 S CB -0.847 62.415 63.200 0.102 0.000 0.808 923 S HN 0.519 nan 8.310 nan 0.000 0.478 924 D N 1.220 121.666 120.400 0.077 0.000 2.350 924 D HA 0.057 4.713 4.640 0.027 0.000 0.216 924 D C 1.249 177.553 176.300 0.006 0.000 0.968 924 D CA 0.686 54.708 54.000 0.037 0.000 0.894 924 D CB -0.168 40.660 40.800 0.047 0.000 0.909 924 D HN 0.421 nan 8.370 nan 0.000 0.520 925 M N -0.490 119.125 119.600 0.024 0.000 2.494 925 M HA 0.073 4.569 4.480 0.027 0.000 0.232 925 M C -0.090 176.217 176.300 0.013 0.000 1.137 925 M CA -0.071 55.199 55.300 -0.050 0.000 1.012 925 M CB -0.637 31.915 32.600 -0.080 0.000 1.567 925 M HN -0.055 nan 8.290 nan 0.000 0.486 926 Y N 0.095 120.364 120.300 -0.052 0.000 2.376 926 Y HA 0.516 5.082 4.550 0.028 0.000 0.340 926 Y C -0.858 175.013 175.900 -0.047 0.000 0.965 926 Y CA -0.963 57.131 58.100 -0.010 0.000 1.078 926 Y CB 1.362 39.879 38.460 0.095 0.000 1.193 926 Y HN -0.131 nan 8.280 nan 0.000 0.452 927 T N 9.113 123.280 114.554 -0.644 0.000 2.756 927 T HA 0.295 4.661 4.350 0.027 0.000 0.290 927 T C -2.688 171.359 174.700 -1.088 0.000 0.985 927 T CA -1.489 60.166 62.100 -0.742 0.000 0.955 927 T CB 1.101 69.586 68.868 -0.638 0.000 0.930 927 T HN 0.460 nan 8.240 nan 0.000 0.451 928 P HA 0.130 nan 4.420 nan 0.000 0.226 928 P C -0.604 176.664 177.300 -0.054 0.000 1.783 928 P CA -0.465 62.249 63.100 -0.643 0.000 0.980 928 P CB -0.719 30.715 31.700 -0.442 0.000 1.967 929 Y N -0.263 120.091 120.300 0.091 0.000 2.811 929 Y HA -0.120 4.446 4.550 0.027 0.000 0.334 929 Y C 2.299 178.325 175.900 0.211 0.000 1.247 929 Y CA -0.337 57.899 58.100 0.227 0.000 1.526 929 Y CB 0.398 38.876 38.460 0.030 0.000 1.284 929 Y HN -0.065 nan 8.280 nan 0.000 0.586 930 V N 3.585 123.793 119.914 0.490 0.000 2.332 930 V HA -0.302 3.835 4.120 0.027 0.000 0.248 930 V C 0.537 176.810 176.094 0.299 0.000 1.055 930 V CA 1.446 63.975 62.300 0.382 0.000 1.038 930 V CB -0.531 31.544 31.823 0.420 0.000 0.651 930 V HN 0.594 nan 8.190 nan 0.000 0.450 931 F N 3.103 123.111 119.950 0.096 0.000 2.371 931 F HA 0.520 5.063 4.527 0.028 0.000 0.363 931 F C -2.516 173.290 175.800 0.010 0.000 1.122 931 F CA -3.288 54.698 58.000 -0.024 0.000 1.129 931 F CB 0.857 39.705 39.000 -0.254 0.000 1.173 931 F HN -0.011 nan 8.300 nan 0.000 0.489 932 P HA 0.328 nan 4.420 nan 0.000 0.275 932 P C -1.138 175.881 177.300 -0.468 0.000 1.228 932 P CA -0.094 62.784 63.100 -0.370 0.000 0.786 932 P CB 1.473 32.981 31.700 -0.319 0.000 0.927 933 S N -0.282 115.323 115.700 -0.158 0.000 2.703 933 S HA 0.445 4.932 4.470 0.027 0.000 0.273 933 S C -0.801 173.799 174.600 -0.000 0.000 1.178 933 S CA -0.947 57.196 58.200 -0.095 0.000 0.838 933 S CB 0.351 63.518 63.200 -0.055 0.000 1.178 933 S HN 0.341 nan 8.310 nan 0.000 0.494 934 E N 1.179 121.388 120.200 0.015 0.000 2.502 934 E HA 0.345 4.712 4.350 0.027 0.000 0.261 934 E C -0.173 176.492 176.600 0.109 0.000 0.974 934 E CA 0.827 57.266 56.400 0.065 0.000 0.936 934 E CB -0.257 29.505 29.700 0.102 0.000 0.926 934 E HN 0.794 nan 8.360 nan 0.000 0.459 935 N N 1.475 120.280 118.700 0.176 0.000 3.116 935 N HA 0.488 5.245 4.740 0.027 0.000 0.244 935 N C 0.261 175.846 175.510 0.126 0.000 1.485 935 N CA -0.561 52.639 53.050 0.249 0.000 0.884 935 N CB 0.845 39.491 38.487 0.264 0.000 1.415 935 N HN 0.715 nan 8.380 nan 0.000 0.524 936 G N -1.328 107.505 108.800 0.054 0.000 2.184 936 G HA2 -0.275 3.701 3.960 0.027 0.000 0.264 936 G HA3 -0.275 3.701 3.960 0.027 0.000 0.264 936 G C -0.172 174.481 174.900 -0.413 0.000 0.975 936 G CA 0.437 45.445 45.100 -0.153 0.000 0.642 936 G HN 0.700 nan 8.290 nan 0.000 0.536 937 L N 0.283 121.176 121.223 -0.550 0.000 2.506 937 L HA 0.610 4.966 4.340 0.027 0.000 0.281 937 L C 0.717 177.005 176.870 -0.970 0.000 1.228 937 L CA 0.531 54.806 54.840 -0.943 0.000 0.850 937 L CB 0.522 41.712 42.059 -1.448 0.000 1.110 937 L HN 0.268 nan 8.230 nan 0.000 0.496 938 R N 2.526 122.365 120.500 -1.101 0.000 2.513 938 R HA 0.490 4.846 4.340 0.027 0.000 0.301 938 R C -0.992 174.954 176.300 -0.590 0.000 0.968 938 R CA -0.271 55.315 56.100 -0.858 0.000 0.872 938 R CB 1.402 30.992 30.300 -1.182 0.000 1.177 938 R HN 0.692 nan 8.270 nan 0.000 0.444 939 C N 0.442 119.552 119.300 -0.317 0.000 2.380 939 C HA 0.681 5.158 4.460 0.027 0.000 0.393 939 C C 1.302 176.281 174.990 -0.018 0.000 1.284 939 C CA 0.089 59.001 59.018 -0.177 0.000 2.033 939 C CB 1.308 28.967 27.740 -0.134 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.829 110.628 108.800 -0.002 0.000 2.341 940 G HA2 -0.192 3.785 3.960 0.027 0.000 0.292 940 G HA3 -0.192 3.785 3.960 0.027 0.000 0.292 940 G C -0.018 174.970 174.900 0.147 0.000 1.021 940 G CA 0.670 45.821 45.100 0.086 0.000 0.905 940 G HN 0.798 nan 8.290 nan 0.000 0.508 941 T N -0.077 114.422 114.554 -0.092 0.000 2.806 941 T HA 0.521 4.887 4.350 0.027 0.000 0.290 941 T C 1.328 175.752 174.700 -0.461 0.000 0.966 941 T CA -0.598 61.413 62.100 -0.147 0.000 1.060 941 T CB 1.444 70.256 68.868 -0.093 0.000 0.927 941 T HN 0.213 nan 8.240 nan 0.000 0.485 942 R N 1.373 121.831 120.500 -0.070 0.000 2.282 942 R HA 0.291 4.647 4.340 0.027 0.000 0.195 942 R C 0.520 176.874 176.300 0.090 0.000 0.909 942 R CA 0.194 56.301 56.100 0.011 0.000 1.039 942 R CB 0.378 30.814 30.300 0.225 0.000 1.015 942 R HN 0.718 nan 8.270 nan 0.000 0.513 943 E N 0.499 120.765 120.200 0.109 0.000 2.335 943 E HA 0.356 4.722 4.350 0.027 0.000 0.280 943 E C -1.864 174.895 176.600 0.266 0.000 0.918 943 E CA -0.699 55.844 56.400 0.238 0.000 0.765 943 E CB 1.561 31.360 29.700 0.165 0.000 1.218 943 E HN -0.081 nan 8.360 nan 0.000 0.425 944 L N 3.815 125.250 121.223 0.353 0.000 2.408 944 L HA 0.606 4.962 4.340 0.027 0.000 0.268 944 L C -1.903 175.180 176.870 0.355 0.000 0.986 944 L CA -0.389 54.589 54.840 0.230 0.000 0.820 944 L CB 1.902 43.933 42.059 -0.047 0.000 1.303 944 L HN 0.499 nan 8.230 nan 0.000 0.411 945 N N 4.294 123.175 118.700 0.302 0.000 2.314 945 N HA 0.439 5.196 4.740 0.027 0.000 0.294 945 N C -2.025 173.736 175.510 0.420 0.000 1.029 945 N CA -0.278 52.956 53.050 0.307 0.000 0.845 945 N CB 2.325 40.925 38.487 0.188 0.000 1.321 945 N HN 0.631 nan 8.380 nan 0.000 0.481 946 Y N 1.034 121.508 120.300 0.289 0.000 2.323 946 Y HA 0.393 4.959 4.550 0.028 0.000 0.322 946 Y C 0.546 176.571 175.900 0.210 0.000 1.133 946 Y CA 0.200 58.456 58.100 0.260 0.000 1.093 946 Y CB 0.652 39.317 38.460 0.342 0.000 1.203 946 Y HN 0.857 nan 8.280 nan 0.000 0.427 947 G N 6.454 115.076 108.800 -0.296 0.000 2.574 947 G HA2 -0.293 3.683 3.960 0.027 0.000 0.286 947 G HA3 -0.293 3.683 3.960 0.027 0.000 0.286 947 G C -1.774 173.012 174.900 -0.189 0.000 1.212 947 G CA 0.100 45.026 45.100 -0.291 0.000 0.979 947 G HN 0.619 nan 8.290 nan 0.000 0.557 948 P HA 0.156 nan 4.420 nan 0.000 0.249 948 P C 0.185 177.237 177.300 -0.414 0.000 1.229 948 P CA 0.718 63.607 63.100 -0.352 0.000 0.788 948 P CB 0.071 31.508 31.700 -0.437 0.000 1.072 949 H N 0.374 119.376 119.070 -0.113 0.000 2.472 949 H HA 0.469 5.041 4.556 0.027 0.000 0.335 949 H C -0.121 174.941 175.328 -0.442 0.000 1.136 949 H CA -0.068 55.779 56.048 -0.334 0.000 1.264 949 H CB 1.703 31.015 29.762 -0.749 0.000 1.486 949 H HN 0.071 nan 8.280 nan 0.000 0.517 950 Q N 2.427 121.996 119.800 -0.385 0.000 2.305 950 Q HA 0.258 4.614 4.340 0.027 0.000 0.271 950 Q C -1.584 174.215 176.000 -0.335 0.000 1.046 950 Q CA -0.704 54.984 55.803 -0.191 0.000 0.798 950 Q CB 2.035 30.771 28.738 -0.002 0.000 1.286 950 Q HN 0.580 nan 8.270 nan 0.000 0.435 951 W N 3.748 125.014 121.300 -0.057 0.000 2.702 951 W HA 0.579 5.256 4.660 0.028 0.000 0.331 951 W C -0.239 176.364 176.519 0.140 0.000 1.049 951 W CA -0.820 56.453 57.345 -0.119 0.000 1.230 951 W CB 2.009 31.182 29.460 -0.478 0.000 1.408 951 W HN 0.504 nan 8.180 nan 0.000 0.492 952 R N 0.658 121.401 120.500 0.404 0.000 2.740 952 R HA 0.794 5.151 4.340 0.027 0.000 0.282 952 R C 0.204 176.795 176.300 0.486 0.000 0.969 952 R CA -0.412 55.943 56.100 0.425 0.000 0.918 952 R CB 2.354 32.811 30.300 0.262 0.000 1.175 952 R HN 0.768 nan 8.270 nan 0.000 0.464 953 G N 0.687 109.766 108.800 0.464 0.000 2.534 953 G HA2 -0.007 3.969 3.960 0.027 0.000 0.142 953 G HA3 -0.007 3.969 3.960 0.027 0.000 0.142 953 G C -1.773 173.284 174.900 0.261 0.000 1.178 953 G CA -0.379 44.969 45.100 0.414 0.000 1.037 953 G HN 0.494 nan 8.290 nan 0.000 0.474 954 D N 0.094 120.648 120.400 0.257 0.000 2.472 954 D HA 0.575 5.231 4.640 0.027 0.000 0.248 954 D C -0.691 175.624 176.300 0.024 0.000 1.271 954 D CA -0.461 53.560 54.000 0.035 0.000 0.888 954 D CB 0.107 40.955 40.800 0.080 0.000 1.337 954 D HN 0.538 nan 8.370 nan 0.000 0.526 955 F N -0.332 119.621 119.950 0.005 0.000 2.706 955 F HA 0.739 5.282 4.527 0.027 0.000 0.328 955 F C -0.902 174.860 175.800 -0.063 0.000 1.123 955 F CA -1.020 56.920 58.000 -0.099 0.000 0.978 955 F CB 0.765 39.707 39.000 -0.097 0.000 1.404 955 F HN -0.189 nan 8.300 nan 0.000 0.497 956 Q N 1.603 121.482 119.800 0.131 0.000 2.345 956 Q HA 0.615 4.972 4.340 0.027 0.000 0.268 956 Q C -1.276 174.789 176.000 0.108 0.000 1.054 956 Q CA -0.505 55.282 55.803 -0.026 0.000 0.835 956 Q CB 2.646 31.266 28.738 -0.197 0.000 1.339 956 Q HN 0.856 nan 8.270 nan 0.000 0.447 957 F N -0.896 118.940 119.950 -0.190 0.000 2.662 957 F HA 0.761 5.305 4.527 0.028 0.000 0.312 957 F C -1.439 174.143 175.800 -0.362 0.000 1.113 957 F CA -1.086 56.763 58.000 -0.253 0.000 0.951 957 F CB 1.654 40.524 39.000 -0.216 0.000 1.344 957 F HN 0.559 nan 8.300 nan 0.000 0.462 958 N N 1.586 120.102 118.700 -0.306 0.000 2.284 958 N HA 0.742 5.499 4.740 0.027 0.000 0.289 958 N C -2.088 173.366 175.510 -0.094 0.000 1.179 958 N CA -0.760 52.096 53.050 -0.323 0.000 0.774 958 N CB 2.629 40.943 38.487 -0.288 0.000 1.548 958 N HN 1.133 nan 8.380 nan 0.000 0.473 959 I N 0.306 120.813 120.570 -0.106 0.000 2.649 959 I HA 0.658 4.844 4.170 0.027 0.000 0.289 959 I C -1.518 174.520 176.117 -0.132 0.000 1.222 959 I CA 0.082 61.289 61.300 -0.155 0.000 1.046 959 I CB 1.322 39.164 38.000 -0.262 0.000 1.272 959 I HN 1.063 nan 8.210 nan 0.000 0.425 960 S N 6.146 121.778 115.700 -0.113 0.000 2.636 960 S HA 0.512 4.998 4.470 0.027 0.000 0.266 960 S C -0.287 174.202 174.600 -0.184 0.000 1.147 960 S CA -0.983 57.141 58.200 -0.127 0.000 0.815 960 S CB 1.710 64.893 63.200 -0.029 0.000 1.119 960 S HN 0.625 nan 8.310 nan 0.000 0.470 961 R N -0.060 120.160 120.500 -0.468 0.000 2.335 961 R HA 0.238 4.595 4.340 0.027 0.000 0.223 961 R C -0.904 175.034 176.300 -0.604 0.000 0.940 961 R CA 0.286 56.092 56.100 -0.490 0.000 1.086 961 R CB -1.044 28.865 30.300 -0.653 0.000 1.073 961 R HN 0.659 nan 8.270 nan 0.000 0.504 962 Y N 0.245 120.513 120.300 -0.054 0.000 2.328 962 Y HA 0.216 4.783 4.550 0.027 0.000 0.336 962 Y C 0.784 176.492 175.900 -0.321 0.000 0.960 962 Y CA -1.123 56.864 58.100 -0.188 0.000 1.134 962 Y CB 1.259 39.543 38.460 -0.294 0.000 1.166 962 Y HN -0.093 nan 8.280 nan 0.000 0.464 963 S N 1.733 117.115 115.700 -0.530 0.000 2.584 963 S HA 0.024 4.510 4.470 0.027 0.000 0.270 963 S C 0.984 175.253 174.600 -0.551 0.000 1.346 963 S CA -0.698 56.815 58.200 -1.145 0.000 1.018 963 S CB 1.076 63.349 63.200 -1.545 0.000 0.899 963 S HN 0.730 nan 8.310 nan 0.000 0.542 964 Q N 0.740 120.227 119.800 -0.523 0.000 2.135 964 Q HA -0.205 4.152 4.340 0.027 0.000 0.204 964 Q C 2.220 178.077 176.000 -0.240 0.000 0.981 964 Q CA 1.895 57.532 55.803 -0.276 0.000 0.856 964 Q CB -0.572 28.036 28.738 -0.217 0.000 0.902 964 Q HN 0.959 nan 8.270 nan 0.000 0.425 965 Q N 0.521 120.133 119.800 -0.313 0.000 2.050 965 Q HA -0.220 4.137 4.340 0.027 0.000 0.202 965 Q C 2.143 178.037 176.000 -0.178 0.000 0.980 965 Q CA 1.568 57.251 55.803 -0.200 0.000 0.840 965 Q CB 0.024 28.648 28.738 -0.189 0.000 0.898 965 Q HN 0.407 nan 8.270 nan 0.000 0.424 966 Q N -0.010 119.656 119.800 -0.223 0.000 2.084 966 Q HA -0.167 4.189 4.340 0.027 0.000 0.202 966 Q C 2.167 178.049 176.000 -0.196 0.000 0.978 966 Q CA 1.243 56.933 55.803 -0.188 0.000 0.844 966 Q CB -0.058 28.549 28.738 -0.218 0.000 0.898 966 Q HN 0.466 nan 8.270 nan 0.000 0.426 967 L N 0.556 121.659 121.223 -0.200 0.000 2.083 967 L HA -0.205 4.152 4.340 0.027 0.000 0.209 967 L C 2.686 179.435 176.870 -0.202 0.000 1.083 967 L CA 1.363 56.081 54.840 -0.203 0.000 0.752 967 L CB -0.499 41.473 42.059 -0.145 0.000 0.899 967 L HN 0.465 nan 8.230 nan 0.000 0.433 968 M N -1.658 117.851 119.600 -0.152 0.000 2.394 968 M HA -0.101 4.396 4.480 0.027 0.000 0.264 968 M C 1.341 177.571 176.300 -0.116 0.000 1.073 968 M CA 1.635 56.860 55.300 -0.126 0.000 1.111 968 M CB -0.403 32.132 32.600 -0.110 0.000 1.401 968 M HN 0.119 nan 8.290 nan 0.000 0.448 969 E N 0.830 120.959 120.200 -0.117 0.000 2.479 969 E HA 0.116 4.483 4.350 0.027 0.000 0.193 969 E C -0.320 176.233 176.600 -0.079 0.000 1.049 969 E CA 0.114 56.467 56.400 -0.079 0.000 0.870 969 E CB 0.548 30.210 29.700 -0.063 0.000 0.944 969 E HN 0.403 nan 8.360 nan 0.000 0.492 970 T N 0.194 114.668 114.554 -0.134 0.000 2.797 970 T HA 0.116 4.483 4.350 0.027 0.000 0.279 970 T C 0.990 175.599 174.700 -0.151 0.000 0.991 970 T CA -0.506 61.515 62.100 -0.132 0.000 0.979 970 T CB 1.704 70.457 68.868 -0.191 0.000 0.943 970 T HN 0.014 nan 8.240 nan 0.000 0.444 971 S N 1.570 117.274 115.700 0.007 0.000 2.503 971 S HA 0.126 4.613 4.470 0.027 0.000 0.217 971 S C 0.228 174.894 174.600 0.110 0.000 0.999 971 S CA 0.152 58.435 58.200 0.138 0.000 0.914 971 S CB -0.179 63.244 63.200 0.371 0.000 0.782 971 S HN 0.738 nan 8.310 nan 0.000 0.520 972 H N 0.611 119.687 119.070 0.011 0.000 2.771 972 H HA 0.481 5.053 4.556 0.028 0.000 0.361 972 H C 0.905 176.206 175.328 -0.044 0.000 1.108 972 H CA -0.847 55.262 56.048 0.101 0.000 1.201 972 H CB 1.509 31.308 29.762 0.061 0.000 1.681 972 H HN 0.096 nan 8.280 nan 0.000 0.534 973 R N 1.853 122.452 120.500 0.166 0.000 2.127 973 R HA -0.174 4.182 4.340 0.027 0.000 0.238 973 R C 1.243 177.551 176.300 0.013 0.000 1.134 973 R CA 1.857 57.992 56.100 0.057 0.000 0.975 973 R CB -0.459 29.922 30.300 0.135 0.000 0.865 973 R HN 0.771 nan 8.270 nan 0.000 0.447 974 H N 1.210 120.290 119.070 0.017 0.000 2.545 974 H HA 0.022 4.594 4.556 0.027 0.000 0.282 974 H C 1.443 176.698 175.328 -0.122 0.000 1.020 974 H CA 0.821 56.838 56.048 -0.052 0.000 1.243 974 H CB -0.118 29.610 29.762 -0.056 0.000 1.377 974 H HN 0.318 nan 8.280 nan 0.000 0.581 975 L N 0.816 121.674 121.223 -0.608 0.000 2.567 975 L HA 0.208 4.564 4.340 0.027 0.000 0.225 975 L C 0.768 177.504 176.870 -0.223 0.000 1.119 975 L CA -0.154 54.401 54.840 -0.475 0.000 0.871 975 L CB 0.134 41.885 42.059 -0.514 0.000 1.036 975 L HN 0.046 nan 8.230 nan 0.000 0.459 976 L N 1.019 122.094 121.223 -0.246 0.000 2.439 976 L HA 0.125 4.481 4.340 0.027 0.000 0.269 976 L C 0.111 176.931 176.870 -0.085 0.000 1.179 976 L CA -0.040 54.619 54.840 -0.303 0.000 0.828 976 L CB 0.313 41.965 42.059 -0.679 0.000 1.106 976 L HN 0.210 nan 8.230 nan 0.000 0.467 977 H N 1.547 120.650 119.070 0.056 0.000 2.667 977 H HA 0.581 5.154 4.556 0.027 0.000 0.353 977 H C -0.745 174.701 175.328 0.196 0.000 1.072 977 H CA -1.234 54.879 56.048 0.108 0.000 1.214 977 H CB 1.240 31.019 29.762 0.028 0.000 1.600 977 H HN 0.674 nan 8.280 nan 0.000 0.527 978 A N 3.575 126.505 122.820 0.184 0.000 2.540 978 A HA 0.092 4.429 4.320 0.027 0.000 0.239 978 A C 0.378 178.002 177.584 0.067 0.000 1.061 978 A CA -0.153 51.847 52.037 -0.063 0.000 0.758 978 A CB -0.009 18.934 19.000 -0.094 0.000 0.991 978 A HN 0.840 nan 8.150 nan 0.000 0.502 979 E N 0.817 121.028 120.200 0.018 0.000 2.322 979 E HA 0.227 4.594 4.350 0.027 0.000 0.257 979 E C 0.020 176.652 176.600 0.054 0.000 1.155 979 E CA -0.707 55.776 56.400 0.139 0.000 0.936 979 E CB 0.697 30.557 29.700 0.266 0.000 1.130 979 E HN 0.801 nan 8.360 nan 0.000 0.465 980 E N 0.371 120.601 120.200 0.050 0.000 2.392 980 E HA 0.225 4.592 4.350 0.027 0.000 0.264 980 E C 0.297 176.854 176.600 -0.072 0.000 1.024 980 E CA 0.488 56.881 56.400 -0.012 0.000 0.903 980 E CB 0.336 30.027 29.700 -0.015 0.000 0.963 980 E HN 0.662 nan 8.360 nan 0.000 0.432 981 G N 2.793 111.551 108.800 -0.069 0.000 2.642 981 G HA2 -0.218 3.758 3.960 0.027 0.000 0.231 981 G HA3 -0.218 3.758 3.960 0.027 0.000 0.231 981 G C -0.657 174.177 174.900 -0.109 0.000 1.338 981 G CA -0.149 44.890 45.100 -0.102 0.000 0.883 981 G HN 0.655 nan 8.290 nan 0.000 0.570 982 T N 0.265 114.729 114.554 -0.151 0.000 2.937 982 T HA 0.484 4.850 4.350 0.027 0.000 0.297 982 T C -0.781 173.768 174.700 -0.252 0.000 0.991 982 T CA -0.176 61.849 62.100 -0.125 0.000 0.990 982 T CB 1.195 70.083 68.868 0.033 0.000 0.991 982 T HN 0.571 nan 8.240 nan 0.000 0.440 983 W N 3.568 124.778 121.300 -0.150 0.000 2.345 983 W HA 0.566 5.242 4.660 0.028 0.000 0.308 983 W C -0.210 176.183 176.519 -0.210 0.000 1.273 983 W CA -0.667 56.586 57.345 -0.153 0.000 1.243 983 W CB 0.627 30.005 29.460 -0.137 0.000 1.260 983 W HN 0.365 nan 8.180 nan 0.000 0.509 984 L N 5.823 127.042 121.223 -0.008 0.000 2.333 984 L HA 0.499 4.855 4.340 0.027 0.000 0.280 984 L C -0.904 175.879 176.870 -0.145 0.000 1.004 984 L CA -0.565 54.156 54.840 -0.199 0.000 0.820 984 L CB 0.829 42.624 42.059 -0.440 0.000 1.247 984 L HN 0.309 nan 8.230 nan 0.000 0.416 985 N N 7.050 125.652 118.700 -0.163 0.000 2.476 985 N HA 0.429 5.185 4.740 0.027 0.000 0.257 985 N C -1.143 174.233 175.510 -0.223 0.000 0.970 985 N CA -0.266 52.687 53.050 -0.163 0.000 0.938 985 N CB 2.118 40.534 38.487 -0.118 0.000 1.144 985 N HN 0.553 nan 8.380 nan 0.000 0.500 986 I N 2.137 122.529 120.570 -0.297 0.000 2.359 986 I HA 0.225 4.411 4.170 0.027 0.000 0.284 986 I C -0.551 175.395 176.117 -0.285 0.000 1.018 986 I CA -0.497 60.588 61.300 -0.358 0.000 1.173 986 I CB 1.262 38.881 38.000 -0.634 0.000 1.326 986 I HN 0.164 nan 8.210 nan 0.000 0.462 987 D N 4.510 124.778 120.400 -0.221 0.000 2.192 987 D HA 0.285 4.941 4.640 0.027 0.000 0.246 987 D C 1.041 177.050 176.300 -0.485 0.000 1.042 987 D CA -0.249 53.550 54.000 -0.337 0.000 0.847 987 D CB 2.532 43.230 40.800 -0.170 0.000 1.186 987 D HN 0.663 nan 8.370 nan 0.000 0.461 988 G N 1.034 109.230 108.800 -1.006 0.000 2.421 988 G HA2 -0.005 3.972 3.960 0.027 0.000 0.217 988 G HA3 -0.005 3.972 3.960 0.027 0.000 0.217 988 G C 0.102 174.167 174.900 -1.393 0.000 1.143 988 G CA 0.551 44.917 45.100 -1.223 0.000 0.784 988 G HN 0.372 nan 8.290 nan 0.000 0.541 989 F N -2.217 117.532 119.950 -0.335 0.000 2.601 989 F HA 0.600 5.144 4.527 0.027 0.000 0.309 989 F C -0.541 175.162 175.800 -0.162 0.000 1.089 989 F CA -1.155 56.736 58.000 -0.183 0.000 0.940 989 F CB 2.169 40.983 39.000 -0.311 0.000 1.273 989 F HN 0.020 nan 8.300 nan 0.000 0.450 990 H N 1.646 120.731 119.070 0.025 0.000 2.894 990 H HA 0.533 5.105 4.556 0.027 0.000 0.367 990 H C -0.866 174.488 175.328 0.043 0.000 1.144 990 H CA -0.881 55.151 56.048 -0.025 0.000 1.180 990 H CB 1.899 31.629 29.762 -0.052 0.000 1.758 990 H HN 0.766 nan 8.280 nan 0.000 0.541 991 M N 3.254 122.808 119.600 -0.077 0.000 2.240 991 M HA 0.301 4.797 4.480 0.027 0.000 0.333 991 M C 0.439 176.855 176.300 0.194 0.000 1.110 991 M CA 0.298 55.621 55.300 0.038 0.000 1.173 991 M CB 0.396 32.916 32.600 -0.133 0.000 1.458 991 M HN 0.822 nan 8.290 nan 0.000 0.458 992 G N 2.686 111.577 108.800 0.152 0.000 2.667 992 G HA2 0.310 4.286 3.960 0.027 0.000 0.250 992 G HA3 0.310 4.286 3.960 0.027 0.000 0.250 992 G C 0.565 175.445 174.900 -0.033 0.000 1.212 992 G CA -0.428 44.695 45.100 0.038 0.000 0.874 992 G HN 0.973 nan 8.290 nan 0.000 0.561 993 I N -1.901 118.596 120.570 -0.123 0.000 3.854 993 I HA 0.407 4.593 4.170 0.027 0.000 0.312 993 I C 1.234 177.271 176.117 -0.134 0.000 1.273 993 I CA 0.404 61.591 61.300 -0.187 0.000 1.298 993 I CB -0.540 37.238 38.000 -0.371 0.000 1.071 993 I HN 0.914 nan 8.210 nan 0.000 0.428 994 G N 1.849 110.596 108.800 -0.089 0.000 2.601 994 G HA2 -0.014 3.962 3.960 0.027 0.000 0.252 994 G HA3 -0.014 3.962 3.960 0.027 0.000 0.252 994 G C 0.629 175.513 174.900 -0.027 0.000 1.294 994 G CA 0.296 45.383 45.100 -0.023 0.000 0.912 994 G HN 1.404 nan 8.290 nan 0.000 0.574 995 G N -2.440 106.357 108.800 -0.005 0.000 2.370 995 G HA2 -0.010 3.967 3.960 0.027 0.000 0.174 995 G HA3 -0.010 3.967 3.960 0.027 0.000 0.174 995 G C 0.663 175.605 174.900 0.070 0.000 1.002 995 G CA 0.909 46.012 45.100 0.004 0.000 0.730 995 G HN 0.976 nan 8.290 nan 0.000 0.497 996 D N 1.263 121.729 120.400 0.110 0.000 2.158 996 D HA 0.080 4.736 4.640 0.027 0.000 0.197 996 D C 1.093 177.419 176.300 0.043 0.000 0.995 996 D CA 2.128 56.258 54.000 0.217 0.000 0.846 996 D CB 0.130 41.064 40.800 0.222 0.000 0.941 996 D HN 0.810 nan 8.370 nan 0.000 0.456 997 D N -3.326 116.885 120.400 -0.314 0.000 2.664 997 D HA 0.346 5.002 4.640 0.027 0.000 0.292 997 D C -0.744 175.034 176.300 -0.869 0.000 1.214 997 D CA -0.726 52.649 54.000 -1.042 0.000 0.932 997 D CB 0.913 40.527 40.800 -1.978 0.000 1.420 997 D HN -0.306 nan 8.370 nan 0.000 0.471 998 S N -0.747 114.237 115.700 -1.192 0.000 2.651 998 S HA 0.247 4.733 4.470 0.027 0.000 0.246 998 S C -0.612 173.984 174.600 -0.007 0.000 1.039 998 S CA -0.660 57.355 58.200 -0.308 0.000 1.013 998 S CB -0.516 62.749 63.200 0.108 0.000 0.861 998 S HN 0.618 nan 8.310 nan 0.000 0.485 999 W N 0.690 121.928 121.300 -0.103 0.000 2.079 999 W HA 0.504 5.180 4.660 0.026 0.000 0.285 999 W C -0.025 176.443 176.519 -0.085 0.000 0.891 999 W CA -0.425 56.863 57.345 -0.095 0.000 1.308 999 W CB -0.530 28.798 29.460 -0.219 0.000 1.047 999 W HN 0.171 nan 8.180 nan 0.000 0.522 1000 S N -0.938 114.652 115.700 -0.182 0.000 2.556 1000 S HA 0.656 5.143 4.470 0.027 0.000 0.271 1000 S C -3.093 171.446 174.600 -0.103 0.000 1.135 1000 S CA -1.675 56.467 58.200 -0.096 0.000 0.858 1000 S CB 1.910 65.085 63.200 -0.042 0.000 1.114 1000 S HN -0.247 nan 8.310 nan 0.000 0.468 1001 P HA 0.180 nan 4.420 nan 0.000 0.264 1001 P C 0.384 177.726 177.300 0.070 0.000 1.193 1001 P CA 0.027 63.140 63.100 0.021 0.000 0.763 1001 P CB 0.662 32.264 31.700 -0.163 0.000 0.810 1002 S N 0.366 116.151 115.700 0.141 0.000 2.787 1002 S HA 0.137 4.623 4.470 0.027 0.000 0.255 1002 S C 0.165 174.853 174.600 0.146 0.000 1.051 1002 S CA -0.289 57.967 58.200 0.093 0.000 1.124 1002 S CB -0.245 62.956 63.200 0.002 0.000 1.104 1002 S HN 0.108 nan 8.310 nan 0.000 0.623 1003 V N 2.805 122.853 119.914 0.224 0.000 2.455 1003 V HA 0.417 4.553 4.120 0.027 0.000 0.273 1003 V C 0.802 177.052 176.094 0.260 0.000 1.045 1003 V CA -0.303 62.113 62.300 0.194 0.000 0.976 1003 V CB 1.052 32.926 31.823 0.085 0.000 0.993 1003 V HN 0.490 nan 8.190 nan 0.000 0.475 1004 S N 3.754 119.620 115.700 0.276 0.000 2.579 1004 S HA 0.357 4.844 4.470 0.027 0.000 0.275 1004 S C 1.545 176.281 174.600 0.228 0.000 1.345 1004 S CA 0.072 58.419 58.200 0.244 0.000 1.031 1004 S CB 1.223 64.586 63.200 0.272 0.000 0.892 1004 S HN 0.990 nan 8.310 nan 0.000 0.529 1005 A N 2.962 125.873 122.820 0.152 0.000 1.948 1005 A HA -0.150 4.186 4.320 0.027 0.000 0.220 1005 A C 1.989 179.600 177.584 0.044 0.000 1.177 1005 A CA 1.898 54.011 52.037 0.127 0.000 0.636 1005 A CB -0.685 18.370 19.000 0.092 0.000 0.815 1005 A HN 0.943 nan 8.150 nan 0.000 0.449 1006 E N -0.867 119.288 120.200 -0.075 0.000 2.409 1006 E HA -0.114 4.252 4.350 0.027 0.000 0.198 1006 E C 0.709 177.051 176.600 -0.430 0.000 1.024 1006 E CA 0.729 56.959 56.400 -0.284 0.000 0.861 1006 E CB -0.456 28.987 29.700 -0.428 0.000 0.788 1006 E HN 0.689 nan 8.360 nan 0.000 0.521 1007 F N 1.081 121.085 119.950 0.089 0.000 2.639 1007 F HA 0.281 4.824 4.527 0.027 0.000 0.302 1007 F C 0.809 176.651 175.800 0.069 0.000 1.097 1007 F CA -0.539 57.514 58.000 0.087 0.000 1.294 1007 F CB 0.580 39.630 39.000 0.084 0.000 1.027 1007 F HN -0.195 nan 8.300 nan 0.000 0.550 1008 Q N 1.165 121.076 119.800 0.184 0.000 2.222 1008 Q HA 0.433 4.790 4.340 0.027 0.000 0.252 1008 Q C -0.276 175.773 176.000 0.080 0.000 0.926 1008 Q CA -0.548 55.348 55.803 0.155 0.000 0.899 1008 Q CB 1.961 30.882 28.738 0.305 0.000 1.250 1008 Q HN 0.250 nan 8.270 nan 0.000 0.441 1009 L N 2.421 123.678 121.223 0.056 0.000 2.389 1009 L HA 0.140 4.497 4.340 0.027 0.000 0.265 1009 L C 0.600 177.435 176.870 -0.058 0.000 1.167 1009 L CA -0.082 54.773 54.840 0.025 0.000 1.045 1009 L CB -0.211 41.754 42.059 -0.158 0.000 1.351 1009 L HN 0.697 nan 8.230 nan 0.000 0.419 1010 S N -0.942 114.624 115.700 -0.223 0.000 2.554 1010 S HA 0.142 4.629 4.470 0.027 0.000 0.226 1010 S C 1.631 176.123 174.600 -0.181 0.000 0.980 1010 S CA 0.185 58.044 58.200 -0.569 0.000 0.939 1010 S CB 0.725 63.510 63.200 -0.692 0.000 0.832 1010 S HN 0.520 nan 8.310 nan 0.000 0.486 1011 A N 1.456 124.217 122.820 -0.097 0.000 2.121 1011 A HA 0.448 4.784 4.320 0.027 0.000 0.218 1011 A C 2.094 179.521 177.584 -0.263 0.000 1.154 1011 A CA 1.239 53.088 52.037 -0.314 0.000 0.679 1011 A CB -1.254 17.292 19.000 -0.756 0.000 0.795 1011 A HN 1.465 nan 8.150 nan 0.000 0.458 1012 G N -1.336 107.423 108.800 -0.068 0.000 2.640 1012 G HA2 -0.293 3.683 3.960 0.027 0.000 0.226 1012 G HA3 -0.293 3.683 3.960 0.027 0.000 0.226 1012 G C 0.452 175.354 174.900 0.003 0.000 1.222 1012 G CA 0.411 45.519 45.100 0.013 0.000 0.729 1012 G HN 0.683 nan 8.290 nan 0.000 0.516 1013 R N -0.445 119.941 120.500 -0.191 0.000 2.513 1013 R HA 0.672 5.029 4.340 0.027 0.000 0.301 1013 R C -1.599 174.484 176.300 -0.362 0.000 0.968 1013 R CA -0.563 55.469 56.100 -0.113 0.000 0.872 1013 R CB 1.531 31.790 30.300 -0.069 0.000 1.177 1013 R HN 0.257 nan 8.270 nan 0.000 0.444 1014 Y N 0.512 120.806 120.300 -0.010 0.000 2.462 1014 Y HA 0.345 4.912 4.550 0.027 0.000 0.346 1014 Y C -0.366 175.688 175.900 0.257 0.000 0.976 1014 Y CA -0.788 57.276 58.100 -0.059 0.000 1.044 1014 Y CB 2.148 40.432 38.460 -0.293 0.000 1.230 1014 Y HN 0.577 nan 8.280 nan 0.000 0.455 1015 H N 2.879 122.219 119.070 0.450 0.000 2.717 1015 H HA 0.621 5.193 4.556 0.027 0.000 0.366 1015 H C -1.701 174.028 175.328 0.669 0.000 1.132 1015 H CA -0.904 55.403 56.048 0.431 0.000 1.180 1015 H CB 1.254 31.161 29.762 0.243 0.000 1.678 1015 H HN 0.586 nan 8.280 nan 0.000 0.537 1016 Y N 1.206 121.362 120.300 -0.239 0.000 2.609 1016 Y HA 0.509 5.076 4.550 0.028 0.000 0.336 1016 Y C -1.794 173.928 175.900 -0.297 0.000 1.129 1016 Y CA -1.049 56.967 58.100 -0.141 0.000 1.040 1016 Y CB 1.621 40.077 38.460 -0.007 0.000 1.310 1016 Y HN 0.618 nan 8.280 nan 0.000 0.460 1017 Q N 2.439 122.235 119.800 -0.006 0.000 2.315 1017 Q HA 0.614 4.970 4.340 0.027 0.000 0.273 1017 Q C -2.066 174.006 176.000 0.120 0.000 1.053 1017 Q CA -0.771 55.003 55.803 -0.048 0.000 0.817 1017 Q CB 2.987 31.738 28.738 0.020 0.000 1.326 1017 Q HN 0.931 nan 8.270 nan 0.000 0.423 1018 L N 1.781 123.054 121.223 0.083 0.000 2.354 1018 L HA 0.700 5.057 4.340 0.027 0.000 0.264 1018 L C -0.715 176.257 176.870 0.171 0.000 1.008 1018 L CA -1.071 53.860 54.840 0.151 0.000 0.819 1018 L CB 2.368 44.484 42.059 0.095 0.000 1.339 1018 L HN 0.286 nan 8.230 nan 0.000 0.420 1019 V N 0.769 120.812 119.914 0.216 0.000 2.448 1019 V HA 0.384 4.521 4.120 0.027 0.000 0.295 1019 V C -1.163 175.098 176.094 0.278 0.000 1.025 1019 V CA -0.474 61.962 62.300 0.227 0.000 0.859 1019 V CB 2.075 34.011 31.823 0.187 0.000 0.988 1019 V HN 0.591 nan 8.190 nan 0.000 0.431 1020 W N 6.721 128.085 121.300 0.105 0.000 2.417 1020 W HA 0.696 5.373 4.660 0.028 0.000 0.315 1020 W C -0.219 176.301 176.519 0.001 0.000 1.045 1020 W CA -1.030 56.300 57.345 -0.026 0.000 1.221 1020 W CB 1.440 30.938 29.460 0.063 0.000 1.309 1020 W HN 0.886 nan 8.180 nan 0.000 0.453 1021 C N 3.807 123.334 119.300 0.378 0.000 3.318 1021 C HA 0.563 5.039 4.460 0.027 0.000 0.329 1021 C C 0.740 175.843 174.990 0.188 0.000 1.449 1021 C CA -0.645 58.538 59.018 0.275 0.000 1.397 1021 C CB 1.550 29.398 27.740 0.180 0.000 1.810 1021 C HN 0.752 nan 8.230 nan 0.000 0.449 1022 Q N 0.894 120.757 119.800 0.105 0.000 2.750 1022 Q HA 0.420 4.776 4.340 0.027 0.000 0.447 1022 Q C -0.116 175.874 176.000 -0.018 0.000 1.111 1022 Q CA 0.400 56.209 55.803 0.010 0.000 0.546 1022 Q CB 0.182 28.909 28.738 -0.019 0.000 4.874 1022 Q HN 0.678 nan 8.270 nan 0.000 0.322 1023 K N 0.000 120.381 120.400 -0.032 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 1023 K CB 0.000 32.471 32.500 -0.049 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543