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 2ja5_1_B DATA FIRST_RESID 18 DATA SEQUENCE FEDESAPITA EDSWAVISAF FREKGLVSQQ LDSFNQFVDY TLQDIICEDS DATA SEQUENCE TLIXXXXXXX XXXXXXXXXX XXISFGKIYV TKPMVNESDG VTHALYPQEA DATA SEQUENCE RLRNLTYSSG LFVDVKXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXKVFI DATA SEQUENCE GRLPIMLRSK NCYLSEATES DLYKLKECPF DMGGYFIING SEKVLIAQER DATA SEQUENCE SAGNIVQVFK KAAPSPISHV AEIRSALEKG SRFISTLQVK LYGREGSSAR DATA SEQUENCE TIKATLPYIK QDIPIVIIFR ALGIIPDGEI LEHICYDVND WQMLEMLKPC DATA SEQUENCE VEDGFVIQDR ETALDFIGRR GTALGIKKEK RIQYAKDILQ KEFLPHITQL DATA SEQUENCE EGFESRKAFF LGYMINRLLL CALDRKDQDD RDHFGKKRLD LAGPLLAQLF DATA SEQUENCE KTLFKKLTKD IFRYMQRTVE XXXXXXXXLA INAKTITSGL KYALATGNWG DATA SEQUENCE EQKKAMSSRA GVSQVLNRYT YSSTLSHLRR TNTPIXXXXX XXKPRQLHNT DATA SEQUENCE HWGLVCPAET PEGQACGLVK NLSLMSCISV GTDPMPIITF LSEWGMEPLE DATA SEQUENCE DYVPHQSPDA TRVFVNGVWH GVHRNPARLM ETLRTLRRKG DINPEVSMIR DATA SEQUENCE DIREKELKIF TDAGRVYRPL FIVEDDESLG HKELKVRKGH IAKLMATEYQ DATA SEQUENCE DXXXXXXXXX EYTWSSLLNE GLVEYIDAEE EESILIAMQP EDLEPAEAXX DATA SEQUENCE XXXXDVDPAK RIRVSHHATT FTHCEIHPSM ILGVAASIIP FPDHNQSPRN DATA SEQUENCE TYQSAMGKQA MGVFLTNYNV RMDTMANILY YPQKPLGTTR AMEYLKFREL DATA SEQUENCE PAGQNAIVAI ACYSGYNQED SMIMNQSSID RGLFRSLFFR SYMDQEKKYG DATA SEQUENCE MSITETFEKP QRTNTLRMKH GTYDKLDDDG LIAPGVRVSG EDVIIGKTTP DATA SEQUENCE ISXXXXXXXX XXXXXSKRDA STPLRSTENG IVDQVLVTTN QDGLKFVKVR DATA SEQUENCE VRTTKIPQIG DKFASRHGQK GTIGITYRRE DMPFTAEGIV PDLIINPHAI DATA SEQUENCE PSRMTVAHLI ECLLSKVAAL SGNEGDASPF TDITVEGISK LLREHGYQSR DATA SEQUENCE GFEVMYNGHT GKKLMAQIFF GPTYYQRLRH MVDDKIHARA RGPMQVLTRQ DATA SEQUENCE PVEGRSRDGG LRFGEMERDC MIAHGAASFL KERLMEASDA FRVHICGIcG DATA SEQUENCE LMTVIAKLNH NQFECKGcDN KIDIYQIHIP YAAKLLFQEL MAMNITPRLY DATA SEQUENCE TDRSRDF 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.786 175.800 -0.023 0.000 0.967 18 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 18 F CB 0.000 38.991 39.000 -0.014 0.000 1.145 19 E N 0.122 120.258 120.200 -0.106 0.000 2.271 19 E HA -0.315 4.036 4.350 0.001 0.000 0.209 19 E C 0.985 177.492 176.600 -0.156 0.000 1.046 19 E CA 2.112 58.439 56.400 -0.122 0.000 0.840 19 E CB -0.061 29.553 29.700 -0.143 0.000 0.738 19 E HN 0.446 nan 8.360 nan 0.000 0.470 20 D N 1.196 121.452 120.400 -0.240 0.000 2.157 20 D HA -0.163 4.478 4.640 0.001 0.000 0.191 20 D C 0.359 176.581 176.300 -0.131 0.000 1.004 20 D CA 1.211 55.095 54.000 -0.194 0.000 0.854 20 D CB -0.355 40.322 40.800 -0.204 0.000 0.936 20 D HN 0.403 nan 8.370 nan 0.000 0.446 21 E N 0.946 121.077 120.200 -0.114 0.000 2.217 21 E HA 0.234 4.584 4.350 0.001 0.000 0.279 21 E C 0.070 176.611 176.600 -0.098 0.000 1.068 21 E CA -0.011 56.321 56.400 -0.114 0.000 0.882 21 E CB 0.363 30.009 29.700 -0.090 0.000 1.039 21 E HN 0.193 nan 8.360 nan 0.000 0.418 22 S N 1.045 116.681 115.700 -0.107 0.000 3.734 22 S HA -0.059 4.411 4.470 0.001 0.000 0.531 22 S C -0.441 174.125 174.600 -0.057 0.000 0.757 22 S CA 0.122 58.279 58.200 -0.073 0.000 1.388 22 S CB -1.817 61.349 63.200 -0.057 0.000 0.878 22 S HN 0.823 nan 8.310 nan 0.000 0.735 23 A N 2.602 125.388 122.820 -0.055 0.000 2.552 23 A HA 1.035 5.356 4.320 0.001 0.000 0.288 23 A C -2.648 174.914 177.584 -0.037 0.000 1.193 23 A CA -1.324 50.686 52.037 -0.045 0.000 0.713 23 A CB 0.827 19.791 19.000 -0.060 0.000 1.305 23 A HN 0.533 nan 8.150 nan 0.000 0.424 24 P HA 0.474 nan 4.420 nan 0.000 0.282 24 P C -0.878 176.409 177.300 -0.021 0.000 1.286 24 P CA 0.058 63.144 63.100 -0.023 0.000 0.777 24 P CB 0.493 32.190 31.700 -0.007 0.000 1.184 25 I N -0.356 120.204 120.570 -0.016 0.000 2.503 25 I HA 0.169 4.340 4.170 0.001 0.000 0.282 25 I C 1.100 177.235 176.117 0.030 0.000 1.059 25 I CA -0.604 60.699 61.300 0.004 0.000 1.081 25 I CB 1.662 39.651 38.000 -0.018 0.000 1.210 25 I HN 0.309 nan 8.210 nan 0.000 0.450 26 T N 1.976 116.556 114.554 0.043 0.000 2.773 26 T HA 0.364 4.714 4.350 0.001 0.000 0.337 26 T C 1.381 176.130 174.700 0.081 0.000 1.086 26 T CA 0.200 62.333 62.100 0.055 0.000 0.998 26 T CB 0.897 69.801 68.868 0.061 0.000 1.281 26 T HN 0.549 nan 8.240 nan 0.000 0.525 27 A N 0.215 123.091 122.820 0.093 0.000 1.821 27 A HA 0.003 4.324 4.320 0.001 0.000 0.215 27 A C 2.235 179.907 177.584 0.147 0.000 1.214 27 A CA 1.707 53.816 52.037 0.119 0.000 0.608 27 A CB -1.577 17.512 19.000 0.150 0.000 0.862 27 A HN 0.975 nan 8.150 nan 0.000 0.448 28 E N 0.493 120.814 120.200 0.203 0.000 2.324 28 E HA -0.255 4.095 4.350 0.001 0.000 0.205 28 E C 1.301 178.061 176.600 0.268 0.000 1.031 28 E CA 1.801 58.373 56.400 0.286 0.000 0.836 28 E CB -0.310 29.524 29.700 0.224 0.000 0.742 28 E HN 0.601 nan 8.360 nan 0.000 0.491 29 D N -0.868 119.641 120.400 0.181 0.000 2.084 29 D HA -0.105 4.535 4.640 0.001 0.000 0.196 29 D C 1.909 178.323 176.300 0.190 0.000 0.985 29 D CA 1.522 55.628 54.000 0.176 0.000 0.826 29 D CB -0.387 40.492 40.800 0.133 0.000 0.978 29 D HN 0.192 nan 8.370 nan 0.000 0.456 30 S N 0.882 116.655 115.700 0.122 0.000 2.425 30 S HA -0.282 4.188 4.470 0.001 0.000 0.256 30 S C 1.829 176.443 174.600 0.024 0.000 1.101 30 S CA 1.731 59.958 58.200 0.045 0.000 1.188 30 S CB -1.297 61.789 63.200 -0.190 0.000 1.085 30 S HN 0.458 nan 8.310 nan 0.000 0.439 31 W N 1.770 123.152 121.300 0.137 0.000 2.290 31 W HA -0.259 4.402 4.660 0.001 0.000 0.318 31 W C 2.944 179.581 176.519 0.197 0.000 1.248 31 W CA 0.867 58.289 57.345 0.130 0.000 1.263 31 W CB -0.729 28.803 29.460 0.120 0.000 1.147 31 W HN 0.431 nan 8.180 nan 0.000 0.494 32 A N -0.011 123.063 122.820 0.423 0.000 1.917 32 A HA -0.240 4.080 4.320 0.001 0.000 0.219 32 A C 1.938 179.720 177.584 0.329 0.000 1.182 32 A CA 2.468 54.711 52.037 0.343 0.000 0.633 32 A CB -1.195 17.967 19.000 0.270 0.000 0.819 32 A HN 0.151 nan 8.150 nan 0.000 0.448 33 V N 0.134 120.239 119.914 0.318 0.000 2.295 33 V HA -0.283 3.838 4.120 0.001 0.000 0.246 33 V C 2.422 178.725 176.094 0.348 0.000 1.049 33 V CA 2.038 64.550 62.300 0.354 0.000 1.024 33 V CB -0.729 31.347 31.823 0.421 0.000 0.648 33 V HN 0.581 nan 8.190 nan 0.000 0.447 34 I N -0.205 120.509 120.570 0.240 0.000 2.127 34 I HA -0.261 3.909 4.170 0.001 0.000 0.241 34 I C 2.730 178.972 176.117 0.209 0.000 1.075 34 I CA 1.715 63.073 61.300 0.097 0.000 1.334 34 I CB -0.583 37.461 38.000 0.073 0.000 1.040 34 I HN 0.254 nan 8.210 nan 0.000 0.405 35 S N 0.490 116.475 115.700 0.476 0.000 2.393 35 S HA -0.344 4.127 4.470 0.001 0.000 0.234 35 S C 2.140 176.989 174.600 0.415 0.000 1.064 35 S CA 1.944 60.525 58.200 0.634 0.000 1.088 35 S CB -0.431 63.048 63.200 0.465 0.000 0.939 35 S HN 0.594 nan 8.310 nan 0.000 0.448 36 A N 0.459 123.482 122.820 0.338 0.000 1.972 36 A HA -0.056 4.265 4.320 0.001 0.000 0.219 36 A C 1.850 179.604 177.584 0.284 0.000 1.169 36 A CA 1.375 53.604 52.037 0.320 0.000 0.635 36 A CB -0.732 18.480 19.000 0.352 0.000 0.810 36 A HN 0.531 nan 8.150 nan 0.000 0.446 37 F N 0.385 120.232 119.950 -0.171 0.000 2.026 37 F HA -0.163 4.365 4.527 0.001 0.000 0.296 37 F C 1.880 177.385 175.800 -0.492 0.000 1.133 37 F CA 1.257 58.773 58.000 -0.806 0.000 1.188 37 F CB -1.225 37.004 39.000 -1.285 0.000 0.968 37 F HN 0.281 nan 8.300 nan 0.000 0.476 38 F N 0.310 120.180 119.950 -0.134 0.000 2.451 38 F HA -0.063 4.464 4.527 0.001 0.000 0.299 38 F C 2.423 178.222 175.800 -0.002 0.000 1.101 38 F CA 0.552 58.442 58.000 -0.182 0.000 1.436 38 F CB -0.471 38.525 39.000 -0.007 0.000 1.074 38 F HN -0.086 nan 8.300 nan 0.000 0.553 39 R N 0.459 121.100 120.500 0.236 0.000 2.083 39 R HA -0.214 4.127 4.340 0.001 0.000 0.237 39 R C 2.131 178.523 176.300 0.153 0.000 1.137 39 R CA 1.936 58.153 56.100 0.195 0.000 0.951 39 R CB -0.429 29.991 30.300 0.200 0.000 0.851 39 R HN 0.379 nan 8.270 nan 0.000 0.434 40 E N 0.282 120.574 120.200 0.154 0.000 2.276 40 E HA -0.063 4.287 4.350 0.001 0.000 0.193 40 E C 1.409 178.076 176.600 0.111 0.000 0.983 40 E CA 0.458 56.949 56.400 0.152 0.000 0.861 40 E CB 0.414 30.248 29.700 0.224 0.000 0.817 40 E HN 0.144 nan 8.360 nan 0.000 0.485 41 K N 0.091 120.515 120.400 0.041 0.000 2.108 41 K HA 0.186 4.506 4.320 0.001 0.000 0.204 41 K C 0.802 177.398 176.600 -0.007 0.000 1.036 41 K CA 0.896 57.174 56.287 -0.016 0.000 0.965 41 K CB 0.252 32.629 32.500 -0.206 0.000 0.804 41 K HN 0.203 nan 8.250 nan 0.000 0.454 42 G N 0.945 109.755 108.800 0.017 0.000 2.692 42 G HA2 -0.197 3.764 3.960 0.001 0.000 0.686 42 G HA3 -0.197 3.764 3.960 0.001 0.000 0.686 42 G C 0.298 175.191 174.900 -0.013 0.000 1.243 42 G CA -0.524 44.597 45.100 0.034 0.000 0.782 42 G HN 0.138 nan 8.290 nan 0.000 0.625 43 L N 0.481 121.663 121.223 -0.068 0.000 2.465 43 L HA 0.024 4.364 4.340 0.001 0.000 0.224 43 L C 2.579 179.411 176.870 -0.064 0.000 1.145 43 L CA 1.428 56.200 54.840 -0.113 0.000 0.834 43 L CB -0.445 41.515 42.059 -0.164 0.000 0.944 43 L HN 0.816 nan 8.230 nan 0.000 0.451 44 V N -4.952 114.940 119.914 -0.036 0.000 3.621 44 V HA 0.107 4.227 4.120 0.001 0.000 0.285 44 V C 2.064 178.148 176.094 -0.018 0.000 1.346 44 V CA 0.259 62.544 62.300 -0.026 0.000 1.104 44 V CB -0.210 31.605 31.823 -0.013 0.000 0.913 44 V HN 0.432 nan 8.190 nan 0.000 0.432 45 S N 3.064 118.752 115.700 -0.019 0.000 2.152 45 S HA -0.534 3.936 4.470 0.001 0.000 0.487 45 S C 1.929 176.532 174.600 0.006 0.000 0.954 45 S CA 2.992 61.189 58.200 -0.004 0.000 2.950 45 S CB -1.555 61.631 63.200 -0.024 0.000 2.100 45 S HN 0.950 nan 8.310 nan 0.000 0.508 46 Q N 0.384 120.177 119.800 -0.011 0.000 2.321 46 Q HA -0.414 3.926 4.340 0.001 0.000 0.226 46 Q C 2.139 178.154 176.000 0.026 0.000 1.090 46 Q CA 2.154 57.954 55.803 -0.006 0.000 0.968 46 Q CB -1.197 27.523 28.738 -0.030 0.000 1.036 46 Q HN 0.700 nan 8.270 nan 0.000 0.505 47 Q N 0.715 120.525 119.800 0.017 0.000 2.047 47 Q HA -0.167 4.173 4.340 0.001 0.000 0.211 47 Q C 2.390 178.426 176.000 0.060 0.000 1.005 47 Q CA 2.096 57.917 55.803 0.029 0.000 0.866 47 Q CB -0.521 28.213 28.738 -0.008 0.000 0.938 47 Q HN 0.538 nan 8.270 nan 0.000 0.414 48 L N 0.876 122.122 121.223 0.038 0.000 1.915 48 L HA -0.256 4.085 4.340 0.001 0.000 0.225 48 L C 2.143 179.087 176.870 0.124 0.000 1.084 48 L CA 1.541 56.425 54.840 0.072 0.000 0.788 48 L CB -1.022 41.062 42.059 0.042 0.000 0.892 48 L HN 0.198 nan 8.230 nan 0.000 0.434 49 D N -0.319 120.132 120.400 0.086 0.000 2.248 49 D HA -0.269 4.371 4.640 0.001 0.000 0.191 49 D C 2.259 178.615 176.300 0.093 0.000 1.013 49 D CA 2.051 56.099 54.000 0.079 0.000 0.883 49 D CB -0.232 40.612 40.800 0.073 0.000 0.915 49 D HN 0.313 nan 8.370 nan 0.000 0.448 50 S N -0.732 115.039 115.700 0.119 0.000 2.368 50 S HA -0.167 4.303 4.470 0.001 0.000 0.225 50 S C 1.791 176.533 174.600 0.237 0.000 1.030 50 S CA 0.633 58.920 58.200 0.145 0.000 0.999 50 S CB -0.361 62.917 63.200 0.129 0.000 0.844 50 S HN 0.207 nan 8.310 nan 0.000 0.459 51 F N 3.347 123.354 119.950 0.095 0.000 2.075 51 F HA -0.051 4.477 4.527 0.001 0.000 0.297 51 F C 2.086 177.991 175.800 0.176 0.000 1.113 51 F CA 1.790 59.882 58.000 0.153 0.000 1.218 51 F CB -1.037 38.010 39.000 0.078 0.000 0.984 51 F HN 0.237 nan 8.300 nan 0.000 0.472 52 N N 0.528 119.271 118.700 0.073 0.000 2.011 52 N HA -0.286 4.454 4.740 0.001 0.000 0.199 52 N C 1.838 177.286 175.510 -0.102 0.000 1.047 52 N CA 1.792 54.797 53.050 -0.076 0.000 0.863 52 N CB -1.101 37.379 38.487 -0.012 0.000 1.056 52 N HN 0.353 nan 8.380 nan 0.000 0.427 53 Q N -0.016 119.745 119.800 -0.064 0.000 2.515 53 Q HA -0.082 4.259 4.340 0.001 0.000 0.215 53 Q C 1.503 177.490 176.000 -0.021 0.000 0.983 53 Q CA 0.841 56.562 55.803 -0.137 0.000 0.905 53 Q CB -0.365 28.307 28.738 -0.110 0.000 0.961 53 Q HN 0.445 nan 8.270 nan 0.000 0.503 54 F N -1.732 118.152 119.950 -0.110 0.000 2.188 54 F HA 0.035 4.562 4.527 0.001 0.000 0.289 54 F C 1.509 177.227 175.800 -0.136 0.000 1.082 54 F CA 0.867 58.819 58.000 -0.081 0.000 1.282 54 F CB -0.481 38.488 39.000 -0.052 0.000 1.060 54 F HN -0.060 nan 8.300 nan 0.000 0.493 55 V N 1.266 120.872 119.914 -0.513 0.000 2.221 55 V HA -0.266 3.854 4.120 0.001 0.000 0.240 55 V C 2.163 178.052 176.094 -0.343 0.000 1.041 55 V CA 2.162 64.107 62.300 -0.591 0.000 0.991 55 V CB -0.822 30.719 31.823 -0.470 0.000 0.634 55 V HN 0.253 nan 8.190 nan 0.000 0.450 56 D N -0.767 119.535 120.400 -0.164 0.000 2.495 56 D HA -0.234 4.407 4.640 0.001 0.000 0.201 56 D C 1.922 178.321 176.300 0.166 0.000 1.041 56 D CA 2.471 56.500 54.000 0.048 0.000 0.890 56 D CB -0.528 40.395 40.800 0.205 0.000 1.089 56 D HN 0.475 nan 8.370 nan 0.000 0.471 57 Y N 0.812 121.022 120.300 -0.150 0.000 2.256 57 Y HA -0.022 4.529 4.550 0.001 0.000 0.267 57 Y C 2.878 178.685 175.900 -0.155 0.000 1.069 57 Y CA 0.819 58.848 58.100 -0.119 0.000 1.070 57 Y CB -1.361 37.064 38.460 -0.058 0.000 1.020 57 Y HN -0.042 nan 8.280 nan 0.000 0.476 58 T N 1.670 116.263 114.554 0.065 0.000 2.656 58 T HA -0.325 4.025 4.350 0.001 0.000 0.262 58 T C 1.984 176.590 174.700 -0.156 0.000 1.070 58 T CA 2.248 64.336 62.100 -0.020 0.000 1.160 58 T CB -1.015 67.887 68.868 0.057 0.000 0.855 58 T HN 0.193 nan 8.240 nan 0.000 0.456 59 L N 0.857 121.803 121.223 -0.461 0.000 2.043 59 L HA -0.164 4.176 4.340 0.001 0.000 0.212 59 L C 2.590 179.356 176.870 -0.174 0.000 1.075 59 L CA 2.042 56.610 54.840 -0.453 0.000 0.752 59 L CB -0.838 40.813 42.059 -0.681 0.000 0.891 59 L HN 0.249 nan 8.230 nan 0.000 0.432 60 Q N -0.183 119.519 119.800 -0.164 0.000 1.967 60 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 60 Q C 1.761 177.715 176.000 -0.076 0.000 0.985 60 Q CA 2.279 58.013 55.803 -0.115 0.000 0.839 60 Q CB -0.447 28.220 28.738 -0.119 0.000 0.906 60 Q HN 0.544 nan 8.270 nan 0.000 0.423 61 D N -0.587 119.784 120.400 -0.049 0.000 2.397 61 D HA -0.150 4.491 4.640 0.001 0.000 0.219 61 D C 1.222 177.519 176.300 -0.006 0.000 0.975 61 D CA 0.978 54.969 54.000 -0.015 0.000 0.940 61 D CB 0.025 40.835 40.800 0.015 0.000 0.884 61 D HN 0.390 nan 8.370 nan 0.000 0.505 62 I N -0.817 119.738 120.570 -0.025 0.000 2.729 62 I HA -0.062 4.109 4.170 0.001 0.000 0.256 62 I C 1.888 177.963 176.117 -0.072 0.000 1.115 62 I CA -0.011 61.273 61.300 -0.026 0.000 1.446 62 I CB 0.064 38.059 38.000 -0.008 0.000 1.176 62 I HN -0.072 nan 8.210 nan 0.000 0.446 63 I N 0.973 121.413 120.570 -0.217 0.000 2.315 63 I HA -0.250 3.920 4.170 0.001 0.000 0.251 63 I C 0.778 176.912 176.117 0.029 0.000 1.125 63 I CA 1.124 62.234 61.300 -0.317 0.000 1.392 63 I CB -0.212 37.581 38.000 -0.344 0.000 1.065 63 I HN 0.259 nan 8.210 nan 0.000 0.424 64 C N 1.660 120.972 119.300 0.020 0.000 2.239 64 C HA 0.476 4.936 4.460 0.001 0.000 0.323 64 C C 0.979 175.991 174.990 0.035 0.000 1.205 64 C CA -0.003 59.047 59.018 0.054 0.000 1.584 64 C CB -0.981 26.782 27.740 0.039 0.000 2.201 64 C HN 0.676 nan 8.230 nan 0.000 0.475 65 E N 1.633 121.854 120.200 0.035 0.000 2.621 65 E HA -0.039 4.311 4.350 0.001 0.000 0.286 65 E C 0.119 176.712 176.600 -0.012 0.000 1.101 65 E CA 0.077 56.479 56.400 0.003 0.000 2.100 65 E CB -0.414 29.279 29.700 -0.011 0.000 2.411 65 E HN 0.454 nan 8.360 nan 0.000 1.091 66 D N 2.010 122.386 120.400 -0.040 0.000 2.431 66 D HA 0.080 4.720 4.640 0.001 0.000 0.213 66 D C 1.397 177.654 176.300 -0.073 0.000 1.130 66 D CA 0.776 54.737 54.000 -0.064 0.000 0.834 66 D CB 0.661 41.397 40.800 -0.106 0.000 0.985 66 D HN 0.232 nan 8.370 nan 0.000 0.504 67 S N 1.083 116.756 115.700 -0.046 0.000 2.389 67 S HA -0.205 4.265 4.470 0.001 0.000 0.229 67 S C 1.147 175.842 174.600 0.159 0.000 1.048 67 S CA 1.203 59.371 58.200 -0.054 0.000 1.117 67 S CB -1.890 61.362 63.200 0.087 0.000 1.020 67 S HN 0.291 nan 8.310 nan 0.000 0.430 68 T N 3.687 118.362 114.554 0.203 0.000 2.819 68 T HA 0.262 4.612 4.350 0.001 0.000 0.282 68 T C 0.050 174.831 174.700 0.135 0.000 1.013 68 T CA 0.383 62.595 62.100 0.187 0.000 1.159 68 T CB -0.256 68.680 68.868 0.113 0.000 1.007 68 T HN 0.273 nan 8.240 nan 0.000 0.514 69 L N 2.707 124.032 121.223 0.170 0.000 2.299 69 L HA 0.661 5.002 4.340 0.001 0.000 0.268 69 L C 0.435 177.438 176.870 0.223 0.000 1.012 69 L CA -1.311 53.647 54.840 0.196 0.000 0.816 69 L CB 1.281 43.514 42.059 0.291 0.000 1.355 69 L HN 0.521 nan 8.230 nan 0.000 0.457 91 S N 4.220 119.817 115.700 -0.170 0.000 2.681 91 S HA 0.865 5.335 4.470 0.001 0.000 0.299 91 S C -0.963 173.501 174.600 -0.226 0.000 1.113 91 S CA -0.622 57.538 58.200 -0.065 0.000 1.013 91 S CB 1.922 65.133 63.200 0.017 0.000 1.076 91 S HN 0.315 nan 8.310 nan 0.000 0.534 92 F N 0.241 120.237 119.950 0.077 0.000 2.493 92 F HA 0.700 5.228 4.527 0.001 0.000 0.329 92 F C 0.903 176.745 175.800 0.071 0.000 1.126 92 F CA -0.491 57.566 58.000 0.095 0.000 0.937 92 F CB 1.932 41.025 39.000 0.156 0.000 1.146 92 F HN 0.966 nan 8.300 nan 0.000 0.442 93 G N 1.770 110.703 108.800 0.221 0.000 2.849 93 G HA2 0.287 4.248 3.960 0.001 0.000 0.174 93 G HA3 0.287 4.248 3.960 0.001 0.000 0.174 93 G C -0.516 174.457 174.900 0.121 0.000 1.370 93 G CA -0.837 44.348 45.100 0.141 0.000 1.040 93 G HN 0.555 nan 8.290 nan 0.000 0.582 94 K N -0.768 119.674 120.400 0.070 0.000 2.505 94 K HA 0.078 4.399 4.320 0.001 0.000 0.272 94 K C -0.629 175.990 176.600 0.032 0.000 0.963 94 K CA 0.336 56.610 56.287 -0.021 0.000 0.932 94 K CB 0.157 32.590 32.500 -0.110 0.000 0.924 94 K HN 0.343 nan 8.250 nan 0.000 0.520 95 I N 1.937 122.446 120.570 -0.102 0.000 2.647 95 I HA 0.292 4.462 4.170 0.001 0.000 0.295 95 I C -1.676 174.368 176.117 -0.121 0.000 1.078 95 I CA -0.997 60.317 61.300 0.023 0.000 1.048 95 I CB 1.142 39.134 38.000 -0.013 0.000 1.239 95 I HN 0.539 nan 8.210 nan 0.000 0.421 96 Y N 5.526 125.866 120.300 0.066 0.000 2.377 96 Y HA 0.571 5.121 4.550 0.001 0.000 0.339 96 Y C -0.310 175.548 175.900 -0.071 0.000 1.011 96 Y CA -0.881 57.239 58.100 0.034 0.000 1.093 96 Y CB 2.000 40.546 38.460 0.144 0.000 1.201 96 Y HN 0.168 nan 8.280 nan 0.000 0.455 97 V N 3.335 123.244 119.914 -0.008 0.000 2.326 97 V HA 0.296 4.416 4.120 0.001 0.000 0.281 97 V C -0.093 175.929 176.094 -0.119 0.000 1.015 97 V CA -0.888 61.343 62.300 -0.114 0.000 0.823 97 V CB 1.196 32.933 31.823 -0.145 0.000 1.009 97 V HN 0.903 nan 8.190 nan 0.000 0.436 98 T N 2.577 117.012 114.554 -0.198 0.000 2.909 98 T HA 0.466 4.817 4.350 0.001 0.000 0.289 98 T C 0.032 174.644 174.700 -0.146 0.000 1.005 98 T CA -0.752 61.246 62.100 -0.170 0.000 1.084 98 T CB 0.938 69.661 68.868 -0.242 0.000 0.975 98 T HN 0.514 nan 8.240 nan 0.000 0.509 99 K N 2.724 123.041 120.400 -0.138 0.000 2.336 99 K HA 0.207 4.527 4.320 0.001 0.000 0.262 99 K C -2.356 174.203 176.600 -0.068 0.000 0.992 99 K CA -1.358 54.836 56.287 -0.155 0.000 0.927 99 K CB -0.229 32.068 32.500 -0.338 0.000 0.956 99 K HN 0.444 nan 8.250 nan 0.000 0.495 100 P HA -0.132 nan 4.420 nan 0.000 0.265 100 P C -0.592 176.708 177.300 -0.000 0.000 1.167 100 P CA 1.147 64.190 63.100 -0.095 0.000 0.760 100 P CB 0.458 31.968 31.700 -0.316 0.000 0.783 101 M N 0.789 120.379 119.600 -0.017 0.000 2.924 101 M HA 0.477 4.957 4.480 0.001 0.000 0.271 101 M C -1.409 174.897 176.300 0.010 0.000 1.280 101 M CA -0.982 54.332 55.300 0.022 0.000 0.813 101 M CB 2.334 34.946 32.600 0.020 0.000 1.658 101 M HN -0.169 nan 8.290 nan 0.000 0.467 102 V N 1.498 121.415 119.914 0.005 0.000 2.532 102 V HA 0.279 4.399 4.120 0.001 0.000 0.294 102 V C -1.270 174.778 176.094 -0.077 0.000 1.036 102 V CA -0.660 61.615 62.300 -0.041 0.000 0.876 102 V CB 1.696 33.471 31.823 -0.080 0.000 1.012 102 V HN 0.835 nan 8.190 nan 0.000 0.432 103 N N 4.176 122.838 118.700 -0.064 0.000 2.767 103 N HA 0.317 5.057 4.740 0.001 0.000 0.238 103 N C -0.125 175.341 175.510 -0.073 0.000 1.083 103 N CA -0.382 52.626 53.050 -0.070 0.000 0.964 103 N CB 0.589 39.031 38.487 -0.074 0.000 1.252 103 N HN 0.816 nan 8.380 nan 0.000 0.512 104 E N 0.458 120.598 120.200 -0.100 0.000 2.212 104 E HA 0.426 4.776 4.350 0.001 0.000 0.270 104 E C -0.409 176.158 176.600 -0.055 0.000 0.956 104 E CA -1.108 55.240 56.400 -0.086 0.000 0.825 104 E CB 0.978 30.600 29.700 -0.131 0.000 1.167 104 E HN 0.426 nan 8.360 nan 0.000 0.400 105 S N 1.061 116.741 115.700 -0.033 0.000 2.600 105 S HA 0.054 4.525 4.470 0.001 0.000 0.265 105 S C 0.429 175.025 174.600 -0.008 0.000 1.325 105 S CA -0.437 57.754 58.200 -0.016 0.000 1.002 105 S CB 0.480 63.676 63.200 -0.006 0.000 0.921 105 S HN 0.749 nan 8.310 nan 0.000 0.554 106 D N -0.153 120.249 120.400 0.003 0.000 2.955 106 D HA -0.125 4.515 4.640 0.001 0.000 0.226 106 D C 0.241 176.552 176.300 0.018 0.000 1.178 106 D CA 1.809 55.817 54.000 0.013 0.000 0.808 106 D CB -1.294 39.518 40.800 0.019 0.000 1.099 106 D HN 0.994 nan 8.370 nan 0.000 0.421 107 G N -2.151 106.654 108.800 0.008 0.000 2.704 107 G HA2 0.521 4.482 3.960 0.001 0.000 0.293 107 G HA3 0.521 4.482 3.960 0.001 0.000 0.293 107 G C 0.610 175.517 174.900 0.012 0.000 1.421 107 G CA -0.148 44.964 45.100 0.018 0.000 0.870 107 G HN 0.020 nan 8.290 nan 0.000 0.492 108 V N 0.150 120.094 119.914 0.050 0.000 2.231 108 V HA 0.365 4.486 4.120 0.001 0.000 0.170 108 V C 1.016 177.126 176.094 0.027 0.000 0.905 108 V CA 0.922 63.252 62.300 0.051 0.000 1.206 108 V CB -0.363 31.515 31.823 0.090 0.000 0.736 108 V HN 0.780 nan 8.190 nan 0.000 0.453 109 T N 0.019 114.618 114.554 0.076 0.000 3.509 109 T HA 0.308 4.659 4.350 0.001 0.000 0.330 109 T C -0.726 174.071 174.700 0.161 0.000 0.851 109 T CA -0.440 61.690 62.100 0.050 0.000 1.057 109 T CB 0.001 68.886 68.868 0.029 0.000 1.023 109 T HN 0.545 nan 8.240 nan 0.000 0.470 110 H N 1.269 120.361 119.070 0.036 0.000 2.852 110 H HA 0.416 4.972 4.556 0.001 0.000 0.362 110 H C 0.791 176.160 175.328 0.068 0.000 1.122 110 H CA -0.680 55.401 56.048 0.054 0.000 1.419 110 H CB 0.681 30.475 29.762 0.054 0.000 1.401 110 H HN 0.692 nan 8.280 nan 0.000 0.609 111 A N 3.588 126.543 122.820 0.226 0.000 2.310 111 A HA 0.231 4.551 4.320 0.001 0.000 0.300 111 A C -0.368 177.325 177.584 0.182 0.000 1.269 111 A CA -0.499 51.657 52.037 0.198 0.000 0.909 111 A CB -0.072 19.073 19.000 0.242 0.000 1.144 111 A HN 0.421 nan 8.150 nan 0.000 0.540 112 L N 3.158 124.423 121.223 0.070 0.000 2.375 112 L HA 0.603 4.943 4.340 0.001 0.000 0.271 112 L C -0.966 175.744 176.870 -0.266 0.000 1.107 112 L CA 0.027 54.883 54.840 0.027 0.000 0.806 112 L CB 0.399 42.488 42.059 0.050 0.000 1.146 112 L HN 0.609 nan 8.230 nan 0.000 0.447 113 Y N 4.796 125.015 120.300 -0.135 0.000 2.562 113 Y HA 0.470 5.021 4.550 0.001 0.000 0.343 113 Y C -1.665 174.231 175.900 -0.007 0.000 1.025 113 Y CA -1.566 56.437 58.100 -0.162 0.000 1.082 113 Y CB 1.262 39.608 38.460 -0.191 0.000 1.264 113 Y HN 0.533 nan 8.280 nan 0.000 0.478 114 P HA -0.267 nan 4.420 nan 0.000 0.208 114 P C 1.179 178.432 177.300 -0.078 0.000 1.195 114 P CA 1.807 64.697 63.100 -0.351 0.000 0.927 114 P CB 0.334 31.668 31.700 -0.609 0.000 0.778 115 Q N 0.374 120.150 119.800 -0.041 0.000 2.421 115 Q HA -0.231 4.109 4.340 0.001 0.000 0.215 115 Q C 2.089 178.105 176.000 0.026 0.000 0.994 115 Q CA 2.012 57.814 55.803 -0.002 0.000 0.909 115 Q CB -0.866 27.866 28.738 -0.010 0.000 0.920 115 Q HN 0.496 nan 8.270 nan 0.000 0.451 116 E N -1.930 118.301 120.200 0.050 0.000 2.127 116 E HA 0.021 4.371 4.350 0.001 0.000 0.191 116 E C 1.654 178.295 176.600 0.069 0.000 0.964 116 E CA 0.589 57.028 56.400 0.065 0.000 0.832 116 E CB -0.171 29.580 29.700 0.086 0.000 0.790 116 E HN 0.393 nan 8.360 nan 0.000 0.465 117 A N 1.486 124.354 122.820 0.080 0.000 2.070 117 A HA -0.135 4.185 4.320 0.001 0.000 0.220 117 A C 2.053 179.671 177.584 0.057 0.000 1.159 117 A CA 0.916 52.998 52.037 0.075 0.000 0.656 117 A CB -0.407 18.669 19.000 0.126 0.000 0.800 117 A HN 0.157 nan 8.150 nan 0.000 0.453 118 R N -0.699 119.835 120.500 0.058 0.000 2.115 118 R HA 0.073 4.413 4.340 0.001 0.000 0.226 118 R C 1.732 178.082 176.300 0.083 0.000 1.100 118 R CA 1.086 57.223 56.100 0.063 0.000 0.980 118 R CB -0.322 30.011 30.300 0.056 0.000 0.875 118 R HN 0.517 nan 8.270 nan 0.000 0.445 119 L N -0.167 121.110 121.223 0.090 0.000 2.202 119 L HA 0.011 4.351 4.340 0.001 0.000 0.205 119 L C 1.992 178.982 176.870 0.200 0.000 1.083 119 L CA 0.959 55.883 54.840 0.141 0.000 0.790 119 L CB -0.165 41.965 42.059 0.119 0.000 0.942 119 L HN 0.064 nan 8.230 nan 0.000 0.452 120 R N 0.243 120.782 120.500 0.066 0.000 2.317 120 R HA 0.109 4.449 4.340 0.001 0.000 0.208 120 R C -0.206 175.853 176.300 -0.403 0.000 0.914 120 R CA 0.003 56.021 56.100 -0.136 0.000 1.060 120 R CB -0.103 30.143 30.300 -0.091 0.000 1.015 120 R HN 0.369 nan 8.270 nan 0.000 0.498 121 N N 0.780 119.385 118.700 -0.159 0.000 2.771 121 N HA -0.163 4.578 4.740 0.001 0.000 0.249 121 N C -0.451 174.985 175.510 -0.124 0.000 1.069 121 N CA -0.190 52.778 53.050 -0.137 0.000 0.688 121 N CB -0.860 37.483 38.487 -0.240 0.000 0.928 121 N HN 0.153 nan 8.380 nan 0.000 0.551 122 L N -0.803 120.390 121.223 -0.050 0.000 2.674 122 L HA 0.589 4.929 4.340 0.001 0.000 0.182 122 L C 0.621 177.513 176.870 0.036 0.000 1.867 122 L CA -0.300 54.529 54.840 -0.019 0.000 2.994 122 L CB 0.523 42.583 42.059 0.001 0.000 2.945 122 L HN 0.017 nan 8.230 nan 0.000 0.729 123 T N -0.821 113.778 114.554 0.074 0.000 3.829 123 T HA 0.122 4.472 4.350 0.001 0.000 0.332 123 T C -1.243 173.551 174.700 0.157 0.000 0.845 123 T CA -0.437 61.732 62.100 0.116 0.000 1.010 123 T CB 0.229 69.148 68.868 0.086 0.000 1.051 123 T HN 0.212 nan 8.240 nan 0.000 0.465 124 Y N 4.620 124.953 120.300 0.055 0.000 2.547 124 Y HA 0.325 4.875 4.550 0.001 0.000 0.338 124 Y C 0.965 176.911 175.900 0.076 0.000 1.239 124 Y CA 0.046 58.171 58.100 0.041 0.000 1.897 124 Y CB -0.585 37.884 38.460 0.015 0.000 1.808 124 Y HN 0.679 nan 8.280 nan 0.000 0.428 125 S N 1.418 117.101 115.700 -0.028 0.000 2.795 125 S HA 0.934 5.404 4.470 0.001 0.000 0.308 125 S C -0.207 174.340 174.600 -0.088 0.000 1.098 125 S CA -0.132 58.063 58.200 -0.009 0.000 0.934 125 S CB 1.530 64.762 63.200 0.055 0.000 1.300 125 S HN 0.566 nan 8.310 nan 0.000 0.566 126 S N -1.316 114.362 115.700 -0.037 0.000 2.615 126 S HA 0.707 5.178 4.470 0.001 0.000 0.269 126 S C -0.138 174.432 174.600 -0.050 0.000 1.161 126 S CA -0.629 57.531 58.200 -0.068 0.000 0.817 126 S CB 0.512 63.648 63.200 -0.107 0.000 1.131 126 S HN 1.463 nan 8.310 nan 0.000 0.467 127 G N 0.004 108.732 108.800 -0.120 0.000 2.432 127 G HA2 0.532 4.492 3.960 0.001 0.000 0.257 127 G HA3 0.532 4.492 3.960 0.001 0.000 0.257 127 G C -1.281 173.420 174.900 -0.333 0.000 1.238 127 G CA -0.369 44.628 45.100 -0.172 0.000 0.838 127 G HN 0.528 nan 8.290 nan 0.000 0.547 128 L N 2.300 123.402 121.223 -0.202 0.000 2.294 128 L HA 0.514 4.854 4.340 0.001 0.000 0.283 128 L C -0.531 176.454 176.870 0.193 0.000 1.015 128 L CA -0.521 54.243 54.840 -0.127 0.000 0.831 128 L CB 0.617 42.592 42.059 -0.140 0.000 1.217 128 L HN 0.455 nan 8.230 nan 0.000 0.420 129 F N 3.292 123.309 119.950 0.111 0.000 2.532 129 F HA 0.770 5.297 4.527 0.001 0.000 0.321 129 F C -0.254 175.668 175.800 0.204 0.000 1.089 129 F CA -1.302 56.792 58.000 0.157 0.000 0.926 129 F CB 2.333 41.424 39.000 0.152 0.000 1.168 129 F HN -0.043 nan 8.300 nan 0.000 0.459 130 V N 1.878 122.018 119.914 0.377 0.000 2.655 130 V HA 0.113 4.234 4.120 0.001 0.000 0.301 130 V C -0.926 175.324 176.094 0.260 0.000 1.082 130 V CA -1.123 61.373 62.300 0.327 0.000 0.899 130 V CB 1.968 33.973 31.823 0.304 0.000 1.014 130 V HN 0.617 nan 8.190 nan 0.000 0.429 131 D N 3.911 124.463 120.400 0.254 0.000 2.368 131 D HA 0.151 4.792 4.640 0.001 0.000 0.268 131 D C 0.083 176.436 176.300 0.088 0.000 1.298 131 D CA 0.444 54.533 54.000 0.147 0.000 0.938 131 D CB 1.529 42.431 40.800 0.169 0.000 1.101 131 D HN 0.240 nan 8.370 nan 0.000 0.509 132 V N 3.250 123.166 119.914 0.004 0.000 2.743 132 V HA 0.287 4.408 4.120 0.001 0.000 0.301 132 V C 0.732 176.750 176.094 -0.126 0.000 1.057 132 V CA -0.457 61.752 62.300 -0.151 0.000 1.006 132 V CB 1.752 33.451 31.823 -0.207 0.000 1.024 132 V HN 0.329 nan 8.190 nan 0.000 0.473 165 V N 2.760 122.590 119.914 -0.141 0.000 2.628 165 V HA 0.444 4.564 4.120 0.001 0.000 0.306 165 V C -0.645 175.477 176.094 0.047 0.000 1.045 165 V CA -0.813 61.444 62.300 -0.071 0.000 0.905 165 V CB 1.381 33.223 31.823 0.032 0.000 0.997 165 V HN 0.244 nan 8.190 nan 0.000 0.436 166 F N 5.722 125.634 119.950 -0.064 0.000 2.467 166 F HA 0.571 5.098 4.527 0.001 0.000 0.362 166 F C 0.113 176.054 175.800 0.235 0.000 1.090 166 F CA -0.610 57.523 58.000 0.220 0.000 1.202 166 F CB 0.411 39.524 39.000 0.190 0.000 1.113 166 F HN 0.355 nan 8.300 nan 0.000 0.541 167 I N 6.810 127.154 120.570 -0.376 0.000 2.871 167 I HA 0.414 4.584 4.170 0.001 0.000 0.284 167 I C 0.251 176.098 176.117 -0.450 0.000 1.390 167 I CA -0.379 60.739 61.300 -0.303 0.000 0.958 167 I CB 0.413 38.435 38.000 0.037 0.000 1.618 167 I HN 0.913 nan 8.210 nan 0.000 0.595 168 G N 3.193 111.492 108.800 -0.835 0.000 2.860 168 G HA2 -0.194 3.767 3.960 0.001 0.000 0.553 168 G HA3 -0.194 3.767 3.960 0.001 0.000 0.553 168 G C -0.615 174.123 174.900 -0.270 0.000 1.439 168 G CA -0.823 44.024 45.100 -0.421 0.000 0.879 168 G HN 0.547 nan 8.290 nan 0.000 0.545 169 R N -0.560 119.914 120.500 -0.044 0.000 2.393 169 R HA 0.498 4.838 4.340 0.001 0.000 0.315 169 R C -0.388 175.908 176.300 -0.006 0.000 0.952 169 R CA -0.903 55.210 56.100 0.022 0.000 0.842 169 R CB 1.669 32.036 30.300 0.111 0.000 1.163 169 R HN 0.603 nan 8.270 nan 0.000 0.450 170 L N 5.624 126.828 121.223 -0.031 0.000 2.255 170 L HA 0.407 4.748 4.340 0.001 0.000 0.289 170 L C -2.327 174.620 176.870 0.128 0.000 1.046 170 L CA -2.151 52.694 54.840 0.008 0.000 0.816 170 L CB 0.704 42.733 42.059 -0.049 0.000 1.197 170 L HN 0.429 nan 8.230 nan 0.000 0.427 171 P HA 0.029 nan 4.420 nan 0.000 0.262 171 P C -0.222 177.355 177.300 0.461 0.000 1.199 171 P CA 0.458 63.724 63.100 0.277 0.000 0.763 171 P CB 0.364 32.221 31.700 0.262 0.000 0.790 172 I N 3.811 124.554 120.570 0.288 0.000 2.581 172 I HA 0.236 4.407 4.170 0.001 0.000 0.288 172 I C 1.299 177.270 176.117 -0.243 0.000 1.047 172 I CA -0.721 60.738 61.300 0.264 0.000 1.374 172 I CB 0.813 38.889 38.000 0.126 0.000 1.423 172 I HN 0.266 nan 8.210 nan 0.000 0.549 173 M N 5.748 124.787 119.600 -0.934 0.000 2.146 173 M HA 0.283 4.763 4.480 0.001 0.000 0.357 173 M C -0.953 175.010 176.300 -0.562 0.000 1.261 173 M CA -0.806 53.611 55.300 -1.472 0.000 1.106 173 M CB 0.815 32.198 32.600 -2.029 0.000 1.612 173 M HN 0.318 nan 8.290 nan 0.000 0.470 174 L N 5.407 126.279 121.223 -0.587 0.000 2.525 174 L HA 0.039 4.379 4.340 0.001 0.000 0.278 174 L C 1.059 177.735 176.870 -0.323 0.000 1.218 174 L CA 1.071 55.636 54.840 -0.457 0.000 0.878 174 L CB -0.053 41.529 42.059 -0.795 0.000 1.127 174 L HN 0.926 nan 8.230 nan 0.000 0.492 175 R N -0.215 120.195 120.500 -0.149 0.000 3.872 175 R HA -0.176 4.164 4.340 0.001 0.000 0.341 175 R C 0.324 176.616 176.300 -0.012 0.000 1.172 175 R CA 0.941 56.999 56.100 -0.069 0.000 0.901 175 R CB -1.619 28.622 30.300 -0.099 0.000 1.422 175 R HN 0.927 nan 8.270 nan 0.000 0.523 176 S N -1.515 114.205 115.700 0.032 0.000 2.495 176 S HA 0.332 4.802 4.470 0.001 0.000 0.273 176 S C 1.143 175.794 174.600 0.085 0.000 1.156 176 S CA -0.323 57.943 58.200 0.110 0.000 1.032 176 S CB 0.775 64.157 63.200 0.303 0.000 1.160 176 S HN 0.255 nan 8.310 nan 0.000 0.489 177 K N 0.288 120.732 120.400 0.073 0.000 2.155 177 K HA 0.087 4.408 4.320 0.001 0.000 0.203 177 K C 1.354 177.953 176.600 -0.001 0.000 1.052 177 K CA 1.070 57.370 56.287 0.021 0.000 0.948 177 K CB -0.365 32.131 32.500 -0.007 0.000 0.728 177 K HN 0.471 nan 8.250 nan 0.000 0.448 178 N N -0.243 118.469 118.700 0.020 0.000 2.412 178 N HA -0.026 4.714 4.740 0.001 0.000 0.184 178 N C -0.143 175.377 175.510 0.017 0.000 1.101 178 N CA 0.155 53.193 53.050 -0.021 0.000 0.881 178 N CB 0.281 38.759 38.487 -0.014 0.000 0.969 178 N HN 0.080 nan 8.380 nan 0.000 0.459 179 C N 0.959 120.336 119.300 0.128 0.000 2.499 179 C HA 0.154 4.615 4.460 0.001 0.000 0.386 179 C C 1.502 176.634 174.990 0.238 0.000 1.293 179 C CA -0.710 58.489 59.018 0.301 0.000 1.884 179 C CB -1.199 26.698 27.740 0.261 0.000 2.509 179 C HN 0.466 nan 8.230 nan 0.000 0.566 180 Y N 3.749 124.080 120.300 0.051 0.000 2.181 180 Y HA -0.205 4.345 4.550 0.001 0.000 0.284 180 Y C 2.123 178.046 175.900 0.038 0.000 1.179 180 Y CA 1.936 60.026 58.100 -0.017 0.000 1.179 180 Y CB -0.746 37.607 38.460 -0.179 0.000 0.973 180 Y HN 0.677 nan 8.280 nan 0.000 0.519 181 L N -0.326 121.029 121.223 0.220 0.000 2.079 181 L HA -0.272 4.069 4.340 0.001 0.000 0.210 181 L C 2.577 179.496 176.870 0.082 0.000 1.081 181 L CA 1.549 56.464 54.840 0.125 0.000 0.752 181 L CB -1.222 40.871 42.059 0.056 0.000 0.896 181 L HN 0.350 nan 8.230 nan 0.000 0.433 182 S N 0.312 116.053 115.700 0.069 0.000 2.381 182 S HA -0.315 4.156 4.470 0.001 0.000 0.230 182 S C 1.721 176.349 174.600 0.046 0.000 1.052 182 S CA 2.024 60.252 58.200 0.047 0.000 1.068 182 S CB -0.517 62.706 63.200 0.039 0.000 0.918 182 S HN 0.558 nan 8.310 nan 0.000 0.448 183 E N 2.069 122.298 120.200 0.047 0.000 2.051 183 E HA 0.351 4.702 4.350 0.001 0.000 0.189 183 E C 1.267 177.901 176.600 0.057 0.000 0.979 183 E CA 0.405 56.831 56.400 0.044 0.000 0.803 183 E CB -0.388 29.330 29.700 0.031 0.000 0.761 183 E HN 0.703 nan 8.360 nan 0.000 0.451 184 A N 1.517 124.386 122.820 0.082 0.000 2.615 184 A HA 0.047 4.368 4.320 0.001 0.000 0.230 184 A C 0.653 178.274 177.584 0.061 0.000 1.062 184 A CA 0.898 52.988 52.037 0.088 0.000 0.758 184 A CB -0.169 18.904 19.000 0.123 0.000 0.995 184 A HN 0.286 nan 8.150 nan 0.000 0.511 185 T N -1.034 113.552 114.554 0.053 0.000 2.841 185 T HA 0.534 4.885 4.350 0.001 0.000 0.276 185 T C 0.908 175.631 174.700 0.038 0.000 1.003 185 T CA 0.207 62.327 62.100 0.033 0.000 0.995 185 T CB 0.899 69.778 68.868 0.018 0.000 1.260 185 T HN 0.710 nan 8.240 nan 0.000 0.581 186 E N 1.056 121.264 120.200 0.014 0.000 2.041 186 E HA -0.280 4.071 4.350 0.001 0.000 0.227 186 E C 2.280 178.910 176.600 0.049 0.000 1.039 186 E CA 3.065 59.477 56.400 0.020 0.000 0.904 186 E CB -0.806 28.859 29.700 -0.059 0.000 0.808 186 E HN 0.772 nan 8.360 nan 0.000 0.510 187 S N 0.382 116.053 115.700 -0.050 0.000 2.389 187 S HA -0.336 4.135 4.470 0.001 0.000 0.231 187 S C 1.897 176.514 174.600 0.028 0.000 1.052 187 S CA 1.728 59.886 58.200 -0.070 0.000 1.053 187 S CB -0.901 62.254 63.200 -0.076 0.000 0.886 187 S HN 0.388 nan 8.310 nan 0.000 0.456 188 D N 1.660 122.085 120.400 0.042 0.000 2.137 188 D HA -0.120 4.521 4.640 0.001 0.000 0.189 188 D C 2.027 178.382 176.300 0.091 0.000 0.998 188 D CA 1.809 55.847 54.000 0.063 0.000 0.839 188 D CB -0.344 40.497 40.800 0.068 0.000 0.962 188 D HN 0.407 nan 8.370 nan 0.000 0.446 189 L N -0.239 121.053 121.223 0.115 0.000 1.943 189 L HA -0.261 4.079 4.340 0.001 0.000 0.215 189 L C 2.695 179.623 176.870 0.097 0.000 1.074 189 L CA 1.386 56.284 54.840 0.096 0.000 0.759 189 L CB -0.944 41.152 42.059 0.063 0.000 0.888 189 L HN 0.129 nan 8.230 nan 0.000 0.433 190 Y N 0.539 120.810 120.300 -0.050 0.000 2.144 190 Y HA -0.362 4.188 4.550 0.001 0.000 0.277 190 Y C 2.525 178.390 175.900 -0.059 0.000 1.229 190 Y CA 1.703 59.767 58.100 -0.060 0.000 1.144 190 Y CB -0.633 37.786 38.460 -0.069 0.000 0.953 190 Y HN 0.164 nan 8.280 nan 0.000 0.515 191 K N -0.277 120.188 120.400 0.107 0.000 2.515 191 K HA -0.038 4.282 4.320 0.001 0.000 0.196 191 K C 1.328 177.905 176.600 -0.038 0.000 1.038 191 K CA 0.694 56.993 56.287 0.020 0.000 0.967 191 K CB -0.157 32.345 32.500 0.004 0.000 0.780 191 K HN 0.361 nan 8.250 nan 0.000 0.483 192 L N -0.286 120.918 121.223 -0.031 0.000 2.616 192 L HA 0.098 4.438 4.340 0.001 0.000 0.229 192 L C 0.563 177.393 176.870 -0.066 0.000 1.110 192 L CA 0.172 54.968 54.840 -0.073 0.000 0.884 192 L CB 0.166 42.222 42.059 -0.005 0.000 1.115 192 L HN 0.049 nan 8.230 nan 0.000 0.481 193 K N -1.376 118.982 120.400 -0.070 0.000 3.610 193 K HA -0.164 4.156 4.320 0.001 0.000 0.283 193 K C 0.237 176.758 176.600 -0.131 0.000 1.210 193 K CA 0.878 57.105 56.287 -0.100 0.000 1.026 193 K CB -0.790 31.667 32.500 -0.072 0.000 1.295 193 K HN 0.173 nan 8.250 nan 0.000 0.468 194 E N 1.445 121.583 120.200 -0.103 0.000 2.376 194 E HA 0.011 4.361 4.350 0.001 0.000 0.266 194 E C -0.096 176.393 176.600 -0.185 0.000 1.009 194 E CA 0.100 56.444 56.400 -0.093 0.000 0.902 194 E CB 0.963 30.637 29.700 -0.044 0.000 0.972 194 E HN 0.268 nan 8.360 nan 0.000 0.439 195 C N 7.408 126.614 119.300 -0.157 0.000 2.648 195 C HA 0.130 4.590 4.460 0.001 0.000 0.419 195 C C -0.629 174.270 174.990 -0.151 0.000 1.352 195 C CA -1.571 57.312 59.018 -0.224 0.000 1.816 195 C CB -0.005 27.681 27.740 -0.089 0.000 2.598 195 C HN 0.607 nan 8.230 nan 0.000 0.598 196 P HA -0.122 nan 4.420 nan 0.000 0.220 196 P C 1.360 178.569 177.300 -0.152 0.000 1.148 196 P CA 1.699 64.695 63.100 -0.173 0.000 0.803 196 P CB -0.080 31.522 31.700 -0.163 0.000 0.782 197 F N 0.361 120.274 119.950 -0.063 0.000 2.325 197 F HA -0.047 4.481 4.527 0.001 0.000 0.299 197 F C 1.374 177.230 175.800 0.093 0.000 1.090 197 F CA 0.055 58.013 58.000 -0.070 0.000 1.392 197 F CB -0.590 38.264 39.000 -0.242 0.000 1.053 197 F HN -0.064 nan 8.300 nan 0.000 0.521 198 D N 0.537 121.106 120.400 0.282 0.000 2.443 198 D HA -0.091 4.550 4.640 0.001 0.000 0.234 198 D C 0.943 177.389 176.300 0.244 0.000 1.172 198 D CA 0.424 54.604 54.000 0.300 0.000 0.878 198 D CB 0.640 41.561 40.800 0.203 0.000 1.204 198 D HN 0.050 nan 8.370 nan 0.000 0.453 199 M N 1.141 120.882 119.600 0.235 0.000 2.300 199 M HA 0.324 4.804 4.480 0.001 0.000 0.313 199 M C 0.838 177.172 176.300 0.058 0.000 0.988 199 M CA 0.427 55.812 55.300 0.141 0.000 1.012 199 M CB -0.640 32.041 32.600 0.137 0.000 1.586 199 M HN 0.412 nan 8.290 nan 0.000 0.562 200 G N 1.648 110.482 108.800 0.058 0.000 2.598 200 G HA2 0.045 4.005 3.960 0.001 0.000 0.269 200 G HA3 0.045 4.005 3.960 0.001 0.000 0.269 200 G C 0.734 175.527 174.900 -0.178 0.000 1.289 200 G CA 1.111 46.058 45.100 -0.254 0.000 0.926 200 G HN 1.782 nan 8.290 nan 0.000 0.567 201 G N -3.272 105.309 108.800 -0.365 0.000 2.176 201 G HA2 0.221 4.181 3.960 0.001 0.000 0.232 201 G HA3 0.221 4.181 3.960 0.001 0.000 0.232 201 G C 0.237 175.024 174.900 -0.189 0.000 0.986 201 G CA 1.395 46.361 45.100 -0.222 0.000 0.643 201 G HN 2.404 nan 8.290 nan 0.000 0.522 202 Y N -1.122 119.051 120.300 -0.212 0.000 2.570 202 Y HA 0.851 5.401 4.550 0.001 0.000 0.345 202 Y C -0.122 175.664 175.900 -0.190 0.000 1.014 202 Y CA -3.011 55.017 58.100 -0.121 0.000 1.063 202 Y CB 0.762 39.180 38.460 -0.070 0.000 1.272 202 Y HN -0.036 nan 8.280 nan 0.000 0.477 203 F N 1.425 121.412 119.950 0.061 0.000 2.380 203 F HA 0.589 5.117 4.527 0.001 0.000 0.319 203 F C 0.041 175.934 175.800 0.155 0.000 1.113 203 F CA -1.247 56.768 58.000 0.025 0.000 1.056 203 F CB 0.903 39.897 39.000 -0.011 0.000 1.289 203 F HN 0.381 nan 8.300 nan 0.000 0.515 204 I N 2.865 123.629 120.570 0.323 0.000 2.623 204 I HA 0.241 4.412 4.170 0.001 0.000 0.275 204 I C -1.236 175.000 176.117 0.197 0.000 1.108 204 I CA -0.256 61.182 61.300 0.230 0.000 1.120 204 I CB 0.590 38.688 38.000 0.163 0.000 1.249 204 I HN 0.251 nan 8.210 nan 0.000 0.500 205 I N 5.136 125.801 120.570 0.157 0.000 2.353 205 I HA 0.247 4.417 4.170 0.001 0.000 0.293 205 I C 1.059 177.215 176.117 0.064 0.000 0.992 205 I CA -0.177 61.185 61.300 0.105 0.000 1.268 205 I CB 0.571 38.614 38.000 0.072 0.000 1.387 205 I HN 0.395 nan 8.210 nan 0.000 0.478 206 N N 5.456 124.185 118.700 0.047 0.000 2.701 206 N HA -0.266 4.475 4.740 0.001 0.000 0.257 206 N C 0.977 176.499 175.510 0.020 0.000 0.969 206 N CA 1.220 54.281 53.050 0.019 0.000 0.786 206 N CB -0.469 38.021 38.487 0.006 0.000 0.917 206 N HN 1.120 nan 8.380 nan 0.000 0.541 207 G N -1.978 106.842 108.800 0.035 0.000 2.784 207 G HA2 -0.300 3.661 3.960 0.001 0.000 0.204 207 G HA3 -0.300 3.661 3.960 0.001 0.000 0.204 207 G C 0.086 175.018 174.900 0.054 0.000 1.300 207 G CA 0.488 45.615 45.100 0.045 0.000 0.863 207 G HN 1.091 nan 8.290 nan 0.000 0.541 208 S N 0.895 116.621 115.700 0.043 0.000 2.652 208 S HA 0.648 5.118 4.470 0.001 0.000 0.270 208 S C -0.185 174.439 174.600 0.040 0.000 1.243 208 S CA -0.056 58.160 58.200 0.026 0.000 0.999 208 S CB 1.865 65.068 63.200 0.005 0.000 0.973 208 S HN 0.521 nan 8.310 nan 0.000 0.544 209 E N 1.331 121.525 120.200 -0.010 0.000 2.105 209 E HA 0.229 4.579 4.350 0.001 0.000 0.285 209 E C -0.502 176.093 176.600 -0.009 0.000 1.055 209 E CA -0.399 55.989 56.400 -0.020 0.000 0.843 209 E CB 0.563 30.078 29.700 -0.308 0.000 1.067 209 E HN 0.301 nan 8.360 nan 0.000 0.398 210 K N 2.340 122.802 120.400 0.103 0.000 2.185 210 K HA 0.364 4.685 4.320 0.001 0.000 0.269 210 K C -0.731 175.927 176.600 0.097 0.000 0.987 210 K CA -0.763 55.561 56.287 0.063 0.000 0.865 210 K CB 1.945 34.480 32.500 0.059 0.000 1.090 210 K HN 0.223 nan 8.250 nan 0.000 0.450 211 V N 5.028 124.919 119.914 -0.038 0.000 2.334 211 V HA 0.306 4.426 4.120 0.001 0.000 0.281 211 V C 0.339 176.368 176.094 -0.108 0.000 1.016 211 V CA -0.901 61.355 62.300 -0.074 0.000 0.832 211 V CB 1.103 32.731 31.823 -0.325 0.000 0.999 211 V HN 0.576 nan 8.190 nan 0.000 0.439 212 L N 5.651 126.842 121.223 -0.054 0.000 2.416 212 L HA 0.348 4.688 4.340 0.001 0.000 0.272 212 L C -0.257 176.523 176.870 -0.150 0.000 1.161 212 L CA -0.009 54.737 54.840 -0.157 0.000 0.845 212 L CB 0.597 42.576 42.059 -0.132 0.000 1.119 212 L HN 0.406 nan 8.230 nan 0.000 0.464 213 I N 2.556 123.009 120.570 -0.195 0.000 2.460 213 I HA 0.318 4.488 4.170 0.001 0.000 0.298 213 I C 0.671 176.708 176.117 -0.133 0.000 0.989 213 I CA -0.708 60.509 61.300 -0.139 0.000 1.173 213 I CB 1.617 39.554 38.000 -0.106 0.000 1.338 213 I HN 0.642 nan 8.210 nan 0.000 0.456 214 A N 6.631 129.403 122.820 -0.081 0.000 2.616 214 A HA 0.003 4.323 4.320 0.001 0.000 0.234 214 A C 0.217 177.756 177.584 -0.076 0.000 1.024 214 A CA 0.377 52.377 52.037 -0.062 0.000 0.758 214 A CB -0.098 18.887 19.000 -0.025 0.000 0.939 214 A HN 0.663 nan 8.150 nan 0.000 0.510 215 Q N 1.539 121.295 119.800 -0.074 0.000 3.064 215 Q HA 0.173 4.514 4.340 0.001 0.000 0.258 215 Q C -0.313 175.661 176.000 -0.043 0.000 0.972 215 Q CA -0.168 55.589 55.803 -0.076 0.000 0.761 215 Q CB 0.972 29.637 28.738 -0.122 0.000 1.281 215 Q HN 0.968 nan 8.270 nan 0.000 0.455 216 E N 2.401 122.591 120.200 -0.015 0.000 2.534 216 E HA 0.045 4.395 4.350 0.001 0.000 0.264 216 E C -0.343 176.251 176.600 -0.010 0.000 0.981 216 E CA 0.529 56.931 56.400 0.002 0.000 0.948 216 E CB 0.533 30.269 29.700 0.060 0.000 0.934 216 E HN 0.377 nan 8.360 nan 0.000 0.459 217 R N 1.023 121.510 120.500 -0.023 0.000 2.690 217 R HA 0.298 4.638 4.340 0.001 0.000 0.269 217 R C -1.408 174.869 176.300 -0.038 0.000 1.037 217 R CA -0.769 55.317 56.100 -0.023 0.000 0.877 217 R CB 0.867 31.154 30.300 -0.023 0.000 1.255 217 R HN 0.241 nan 8.270 nan 0.000 0.467 218 S N 0.861 116.545 115.700 -0.028 0.000 2.510 218 S HA 0.549 5.019 4.470 0.001 0.000 0.279 218 S C 0.328 174.893 174.600 -0.058 0.000 1.284 218 S CA 0.126 58.305 58.200 -0.036 0.000 1.059 218 S CB 0.037 63.232 63.200 -0.009 0.000 0.901 218 S HN 0.801 nan 8.310 nan 0.000 0.491 219 A N 4.162 126.925 122.820 -0.095 0.000 2.475 219 A HA 0.534 4.854 4.320 0.001 0.000 0.239 219 A C 0.867 178.388 177.584 -0.106 0.000 1.087 219 A CA 0.272 52.231 52.037 -0.131 0.000 0.779 219 A CB -0.345 18.531 19.000 -0.207 0.000 1.036 219 A HN 0.986 nan 8.150 nan 0.000 0.506 220 G N -1.035 107.695 108.800 -0.117 0.000 2.667 220 G HA2 0.466 4.427 3.960 0.001 0.000 0.310 220 G HA3 0.466 4.427 3.960 0.001 0.000 0.310 220 G C -0.215 174.604 174.900 -0.136 0.000 1.259 220 G CA -0.337 44.703 45.100 -0.100 0.000 1.019 220 G HN 1.025 nan 8.290 nan 0.000 0.496 221 N N -1.235 117.370 118.700 -0.158 0.000 2.725 221 N HA -0.159 4.582 4.740 0.001 0.000 0.251 221 N C -0.537 174.893 175.510 -0.134 0.000 1.031 221 N CA 1.114 54.002 53.050 -0.270 0.000 0.720 221 N CB -1.204 37.070 38.487 -0.355 0.000 0.930 221 N HN 0.540 nan 8.380 nan 0.000 0.543 222 I N -0.696 119.829 120.570 -0.074 0.000 2.769 222 I HA 0.348 4.519 4.170 0.001 0.000 0.298 222 I C 0.292 176.383 176.117 -0.044 0.000 1.128 222 I CA -1.350 59.927 61.300 -0.039 0.000 1.031 222 I CB 2.383 40.346 38.000 -0.062 0.000 1.235 222 I HN -0.178 nan 8.210 nan 0.000 0.423 223 V N 2.548 122.423 119.914 -0.066 0.000 2.432 223 V HA 0.521 4.642 4.120 0.001 0.000 0.275 223 V C -0.421 175.548 176.094 -0.209 0.000 1.043 223 V CA -0.388 61.827 62.300 -0.141 0.000 0.925 223 V CB 0.736 32.442 31.823 -0.196 0.000 0.985 223 V HN 0.772 nan 8.190 nan 0.000 0.466 224 Q N 2.845 122.462 119.800 -0.306 0.000 2.345 224 Q HA 0.719 5.059 4.340 0.001 0.000 0.275 224 Q C -1.189 174.343 176.000 -0.780 0.000 1.063 224 Q CA -0.909 54.612 55.803 -0.469 0.000 0.819 224 Q CB 3.174 31.655 28.738 -0.428 0.000 1.356 224 Q HN 0.890 nan 8.270 nan 0.000 0.418 225 V N -0.917 118.579 119.914 -0.697 0.000 2.459 225 V HA 0.753 4.873 4.120 0.001 0.000 0.295 225 V C -0.965 174.822 176.094 -0.513 0.000 1.029 225 V CA -0.600 61.347 62.300 -0.589 0.000 0.874 225 V CB 0.773 32.428 31.823 -0.280 0.000 0.985 225 V HN 0.658 nan 8.190 nan 0.000 0.438 226 F N 1.631 121.519 119.950 -0.104 0.000 2.547 226 F HA 0.582 5.110 4.527 0.001 0.000 0.316 226 F C 0.417 176.113 175.800 -0.174 0.000 1.121 226 F CA -1.095 56.830 58.000 -0.124 0.000 0.911 226 F CB 2.348 41.301 39.000 -0.078 0.000 1.179 226 F HN 0.411 nan 8.300 nan 0.000 0.443 227 K N 2.634 123.005 120.400 -0.048 0.000 2.258 227 K HA 0.302 4.622 4.320 0.001 0.000 0.264 227 K C -0.323 176.277 176.600 -0.000 0.000 1.007 227 K CA -0.640 55.545 56.287 -0.170 0.000 0.941 227 K CB 0.764 33.143 32.500 -0.201 0.000 0.966 227 K HN 0.369 nan 8.250 nan 0.000 0.480 228 K N 0.957 121.381 120.400 0.041 0.000 2.203 228 K HA 0.355 4.675 4.320 0.001 0.000 0.251 228 K C -0.292 176.320 176.600 0.021 0.000 0.944 228 K CA -0.638 55.667 56.287 0.032 0.000 0.829 228 K CB 1.887 34.406 32.500 0.031 0.000 1.125 228 K HN 0.763 nan 8.250 nan 0.000 0.430 229 A N 1.182 124.004 122.820 0.003 0.000 2.552 229 A HA 0.153 4.474 4.320 0.001 0.000 0.241 229 A C 1.342 178.930 177.584 0.005 0.000 1.103 229 A CA 1.056 53.093 52.037 -0.000 0.000 0.789 229 A CB -0.200 18.794 19.000 -0.009 0.000 1.050 229 A HN 0.808 nan 8.150 nan 0.000 0.515 230 A N 0.374 123.197 122.820 0.004 0.000 2.019 230 A HA 0.100 4.420 4.320 0.001 0.000 0.219 230 A C -0.853 176.731 177.584 -0.001 0.000 1.164 230 A CA 1.426 53.466 52.037 0.005 0.000 0.644 230 A CB -1.075 17.928 19.000 0.005 0.000 0.805 230 A HN 0.707 nan 8.150 nan 0.000 0.449 231 P HA 0.405 nan 4.420 nan 0.000 0.238 231 P C -0.798 176.492 177.300 -0.017 0.000 1.758 231 P CA 0.190 63.284 63.100 -0.009 0.000 1.142 231 P CB 0.560 32.255 31.700 -0.009 0.000 1.722 232 S N 3.908 119.594 115.700 -0.024 0.000 2.683 232 S HA 0.318 4.788 4.470 0.001 0.000 0.278 232 S C -2.593 171.969 174.600 -0.064 0.000 1.059 232 S CA -0.737 57.436 58.200 -0.045 0.000 0.847 232 S CB 1.027 64.196 63.200 -0.050 0.000 1.078 232 S HN 0.133 nan 8.310 nan 0.000 0.456 233 P HA 0.298 nan 4.420 nan 0.000 0.235 233 P C 0.060 177.207 177.300 -0.255 0.000 1.177 233 P CA 0.267 63.282 63.100 -0.141 0.000 0.785 233 P CB -0.100 31.518 31.700 -0.137 0.000 0.885 234 I N 0.952 121.348 120.570 -0.289 0.000 2.301 234 I HA 0.092 4.262 4.170 0.001 0.000 0.292 234 I C 1.915 177.981 176.117 -0.085 0.000 1.046 234 I CA 0.088 61.221 61.300 -0.277 0.000 1.282 234 I CB 0.739 38.578 38.000 -0.268 0.000 1.409 234 I HN -0.135 nan 8.210 nan 0.000 0.484 235 S N 6.224 121.898 115.700 -0.042 0.000 2.343 235 S HA 0.021 4.492 4.470 0.001 0.000 0.212 235 S C 0.653 175.417 174.600 0.272 0.000 1.033 235 S CA 1.107 59.328 58.200 0.035 0.000 1.004 235 S CB -0.022 63.091 63.200 -0.144 0.000 0.977 235 S HN 0.658 nan 8.310 nan 0.000 0.427 236 H N -1.565 117.492 119.070 -0.022 0.000 2.834 236 H HA 0.744 5.301 4.556 0.001 0.000 0.369 236 H C -1.433 173.875 175.328 -0.034 0.000 1.174 236 H CA -1.328 54.707 56.048 -0.022 0.000 1.165 236 H CB 2.023 31.765 29.762 -0.033 0.000 1.820 236 H HN 0.192 nan 8.280 nan 0.000 0.558 237 V N 0.426 120.384 119.914 0.074 0.000 3.012 237 V HA 0.534 4.654 4.120 0.001 0.000 0.307 237 V C -0.959 175.046 176.094 -0.148 0.000 1.166 237 V CA -0.899 61.392 62.300 -0.016 0.000 0.974 237 V CB 1.929 33.753 31.823 0.001 0.000 1.040 237 V HN 0.911 nan 8.190 nan 0.000 0.428 238 A N 2.620 125.346 122.820 -0.157 0.000 2.304 238 A HA 0.835 5.156 4.320 0.001 0.000 0.314 238 A C -0.506 176.957 177.584 -0.202 0.000 1.187 238 A CA -0.489 51.399 52.037 -0.249 0.000 0.810 238 A CB 0.748 19.623 19.000 -0.209 0.000 1.183 238 A HN 0.832 nan 8.150 nan 0.000 0.487 239 E N 1.157 121.196 120.200 -0.267 0.000 2.207 239 E HA 0.652 5.002 4.350 0.001 0.000 0.270 239 E C -1.346 175.189 176.600 -0.109 0.000 0.927 239 E CA -0.542 55.772 56.400 -0.142 0.000 0.799 239 E CB 2.686 32.339 29.700 -0.078 0.000 1.172 239 E HN 0.638 nan 8.360 nan 0.000 0.404 240 I N 1.521 122.064 120.570 -0.046 0.000 2.571 240 I HA 0.298 4.468 4.170 0.001 0.000 0.289 240 I C -1.233 174.873 176.117 -0.018 0.000 1.115 240 I CA -0.669 60.621 61.300 -0.017 0.000 1.045 240 I CB 1.229 39.266 38.000 0.061 0.000 1.238 240 I HN 0.420 nan 8.210 nan 0.000 0.424 241 R N 5.356 125.836 120.500 -0.033 0.000 2.287 241 R HA 0.296 4.636 4.340 0.001 0.000 0.327 241 R C -0.254 176.013 176.300 -0.055 0.000 1.109 241 R CA -0.403 55.680 56.100 -0.028 0.000 1.013 241 R CB 0.831 31.119 30.300 -0.022 0.000 1.126 241 R HN 0.659 nan 8.270 nan 0.000 0.503 242 S N 1.127 116.810 115.700 -0.028 0.000 2.489 242 S HA 0.642 5.112 4.470 0.001 0.000 0.277 242 S C -0.033 174.591 174.600 0.039 0.000 1.230 242 S CA -0.797 57.392 58.200 -0.018 0.000 1.053 242 S CB 1.853 65.101 63.200 0.080 0.000 0.955 242 S HN 0.599 nan 8.310 nan 0.000 0.488 243 A N 3.994 126.834 122.820 0.033 0.000 2.442 243 A HA 0.514 4.835 4.320 0.001 0.000 0.284 243 A C -0.355 177.267 177.584 0.063 0.000 1.058 243 A CA -0.827 51.251 52.037 0.068 0.000 0.738 243 A CB 0.683 19.709 19.000 0.044 0.000 1.242 243 A HN 0.906 nan 8.150 nan 0.000 0.421 244 L N 3.088 124.352 121.223 0.068 0.000 2.745 244 L HA -0.053 4.287 4.340 0.001 0.000 0.273 244 L C 1.553 178.441 176.870 0.030 0.000 1.156 244 L CA 0.124 54.984 54.840 0.033 0.000 0.982 244 L CB 0.132 42.172 42.059 -0.032 0.000 1.295 244 L HN 0.929 nan 8.230 nan 0.000 0.483 245 E N 2.888 123.112 120.200 0.040 0.000 2.253 245 E HA -0.207 4.143 4.350 0.001 0.000 0.202 245 E C -0.196 176.426 176.600 0.038 0.000 1.014 245 E CA 1.347 57.771 56.400 0.040 0.000 0.823 245 E CB 0.034 29.765 29.700 0.052 0.000 0.736 245 E HN 0.534 nan 8.360 nan 0.000 0.478 246 K N -1.186 119.227 120.400 0.023 0.000 2.571 246 K HA 0.458 4.779 4.320 0.001 0.000 0.252 246 K C -0.892 175.696 176.600 -0.021 0.000 0.956 246 K CA -0.085 56.211 56.287 0.015 0.000 0.822 246 K CB 2.330 34.845 32.500 0.025 0.000 1.286 246 K HN 0.092 nan 8.250 nan 0.000 0.439 247 G N 1.249 110.027 108.800 -0.037 0.000 2.949 247 G HA2 -0.006 3.955 3.960 0.001 0.000 0.658 247 G HA3 -0.006 3.955 3.960 0.001 0.000 0.658 247 G C 0.163 174.961 174.900 -0.170 0.000 1.194 247 G CA -0.017 45.027 45.100 -0.094 0.000 1.204 247 G HN 0.745 nan 8.290 nan 0.000 0.524 248 S N 0.944 116.555 115.700 -0.148 0.000 2.580 248 S HA -0.344 4.126 4.470 0.001 0.000 0.251 248 S C 1.528 176.088 174.600 -0.066 0.000 1.281 248 S CA 2.601 60.694 58.200 -0.178 0.000 1.558 248 S CB -0.946 61.962 63.200 -0.488 0.000 1.996 248 S HN 2.232 nan 8.310 nan 0.000 0.656 249 R N 0.049 120.516 120.500 -0.054 0.000 3.034 249 R HA -0.150 4.190 4.340 0.001 0.000 0.237 249 R C 0.245 176.650 176.300 0.175 0.000 0.861 249 R CA 1.027 57.154 56.100 0.046 0.000 0.588 249 R CB -2.333 28.003 30.300 0.059 0.000 1.035 249 R HN 0.597 nan 8.270 nan 0.000 0.488 250 F N 0.274 120.242 119.950 0.029 0.000 2.586 250 F HA 0.004 4.531 4.527 0.001 0.000 0.344 250 F C 1.691 177.511 175.800 0.034 0.000 1.188 250 F CA -0.086 57.936 58.000 0.036 0.000 1.359 250 F CB 0.498 39.520 39.000 0.036 0.000 1.129 250 F HN 0.182 nan 8.300 nan 0.000 0.609 251 I N 2.504 123.193 120.570 0.197 0.000 2.917 251 I HA 0.048 4.218 4.170 0.001 0.000 0.292 251 I C -0.684 175.463 176.117 0.049 0.000 1.510 251 I CA -0.204 61.157 61.300 0.102 0.000 0.858 251 I CB 0.581 38.627 38.000 0.076 0.000 1.862 251 I HN 0.342 nan 8.210 nan 0.000 0.615 252 S N 0.731 116.460 115.700 0.048 0.000 2.554 252 S HA 0.603 5.073 4.470 0.001 0.000 0.278 252 S C 0.074 174.682 174.600 0.013 0.000 1.242 252 S CA -0.489 57.721 58.200 0.017 0.000 1.051 252 S CB 1.701 64.907 63.200 0.011 0.000 0.986 252 S HN 0.254 nan 8.310 nan 0.000 0.502 253 T N 3.021 117.574 114.554 -0.000 0.000 2.867 253 T HA 0.510 4.860 4.350 0.001 0.000 0.282 253 T C -0.720 173.958 174.700 -0.037 0.000 1.000 253 T CA -0.554 61.539 62.100 -0.011 0.000 1.042 253 T CB 1.005 69.871 68.868 -0.002 0.000 0.973 253 T HN 0.557 nan 8.240 nan 0.000 0.465 254 L N 3.278 124.468 121.223 -0.054 0.000 2.287 254 L HA 0.427 4.767 4.340 0.001 0.000 0.287 254 L C -0.502 176.328 176.870 -0.067 0.000 1.022 254 L CA -0.103 54.676 54.840 -0.101 0.000 0.814 254 L CB 1.173 43.139 42.059 -0.154 0.000 1.217 254 L HN 0.581 nan 8.230 nan 0.000 0.420 255 Q N 4.351 124.118 119.800 -0.056 0.000 2.333 255 Q HA 0.522 4.862 4.340 0.001 0.000 0.265 255 Q C -1.299 174.689 176.000 -0.019 0.000 0.989 255 Q CA -0.734 55.052 55.803 -0.029 0.000 0.842 255 Q CB 2.611 31.349 28.738 -0.001 0.000 1.262 255 Q HN 0.477 nan 8.270 nan 0.000 0.451 256 V N 4.002 123.902 119.914 -0.023 0.000 2.275 256 V HA 0.220 4.340 4.120 0.001 0.000 0.272 256 V C 0.214 176.318 176.094 0.016 0.000 1.028 256 V CA -0.534 61.762 62.300 -0.006 0.000 0.810 256 V CB 0.632 32.437 31.823 -0.029 0.000 1.043 256 V HN 0.655 nan 8.190 nan 0.000 0.453 257 K N 2.894 123.334 120.400 0.066 0.000 2.948 257 K HA 0.632 4.953 4.320 0.001 0.000 0.323 257 K C -0.491 176.179 176.600 0.116 0.000 1.015 257 K CA -0.562 55.787 56.287 0.103 0.000 1.117 257 K CB 0.303 32.928 32.500 0.208 0.000 1.264 257 K HN 0.360 nan 8.250 nan 0.000 0.486 258 L N 0.559 121.888 121.223 0.177 0.000 2.986 258 L HA 0.182 4.522 4.340 0.001 0.000 0.224 258 L C -1.581 175.387 176.870 0.163 0.000 1.096 258 L CA -0.139 54.786 54.840 0.141 0.000 1.139 258 L CB -0.781 41.293 42.059 0.024 0.000 1.347 258 L HN 0.414 nan 8.230 nan 0.000 0.651 259 Y N 1.845 122.132 120.300 -0.021 0.000 2.341 259 Y HA 0.436 4.987 4.550 0.001 0.000 0.357 259 Y C 1.651 177.533 175.900 -0.030 0.000 1.261 259 Y CA 1.135 59.225 58.100 -0.016 0.000 1.547 259 Y CB 0.074 38.530 38.460 -0.006 0.000 1.363 259 Y HN 0.869 nan 8.280 nan 0.000 0.692 260 G N 1.669 110.551 108.800 0.136 0.000 3.320 260 G HA2 -0.193 3.767 3.960 0.001 0.000 0.430 260 G HA3 -0.193 3.767 3.960 0.001 0.000 0.430 260 G C -0.041 174.859 174.900 0.001 0.000 0.806 260 G CA -0.816 44.319 45.100 0.057 0.000 0.746 260 G HN 0.464 nan 8.290 nan 0.000 0.414 261 R N 1.151 121.647 120.500 -0.007 0.000 2.896 261 R HA 0.187 4.527 4.340 0.001 0.000 0.283 261 R C 1.115 177.398 176.300 -0.028 0.000 1.201 261 R CA -0.412 55.675 56.100 -0.020 0.000 1.178 261 R CB 0.083 30.380 30.300 -0.005 0.000 1.152 261 R HN 0.811 nan 8.270 nan 0.000 0.590 262 E N 0.287 120.471 120.200 -0.026 0.000 2.406 262 E HA 0.075 4.425 4.350 0.001 0.000 0.247 262 E C 0.360 176.952 176.600 -0.013 0.000 1.160 262 E CA 0.730 57.114 56.400 -0.026 0.000 0.950 262 E CB -0.329 29.365 29.700 -0.010 0.000 0.993 262 E HN 0.660 nan 8.360 nan 0.000 0.472 263 G N 3.112 111.904 108.800 -0.015 0.000 1.801 263 G HA2 -0.276 3.684 3.960 0.001 0.000 0.203 263 G HA3 -0.276 3.684 3.960 0.001 0.000 0.203 263 G C -0.089 174.810 174.900 -0.001 0.000 2.274 263 G CA -0.286 44.811 45.100 -0.005 0.000 1.481 263 G HN 1.025 nan 8.290 nan 0.000 0.471 264 S N 1.342 117.044 115.700 0.004 0.000 3.805 264 S HA 0.245 4.715 4.470 0.001 0.000 0.456 264 S C 0.720 175.327 174.600 0.011 0.000 1.125 264 S CA 0.956 59.162 58.200 0.011 0.000 0.905 264 S CB -0.312 62.900 63.200 0.019 0.000 0.653 264 S HN 2.277 nan 8.310 nan 0.000 0.483 265 S N 2.767 118.473 115.700 0.011 0.000 2.546 265 S HA 0.422 4.893 4.470 0.001 0.000 0.290 265 S C 0.778 175.385 174.600 0.012 0.000 1.290 265 S CA -0.368 57.838 58.200 0.009 0.000 1.069 265 S CB 0.017 63.222 63.200 0.009 0.000 0.846 265 S HN 2.516 nan 8.310 nan 0.000 0.495 266 A N 2.514 125.338 122.820 0.007 0.000 3.241 266 A HA -0.102 4.219 4.320 0.001 0.000 0.269 266 A C 0.305 177.897 177.584 0.013 0.000 1.343 266 A CA -0.110 51.931 52.037 0.006 0.000 0.742 266 A CB -2.023 16.982 19.000 0.007 0.000 1.041 266 A HN 0.852 nan 8.150 nan 0.000 0.450 267 R N 1.201 121.705 120.500 0.007 0.000 2.878 267 R HA 0.174 4.515 4.340 0.001 0.000 0.239 267 R C 0.800 177.107 176.300 0.012 0.000 1.515 267 R CA 0.767 56.875 56.100 0.013 0.000 1.210 267 R CB 0.027 30.317 30.300 -0.016 0.000 1.209 267 R HN 0.733 nan 8.270 nan 0.000 0.610 268 T N 1.879 116.443 114.554 0.016 0.000 2.913 268 T HA 0.264 4.614 4.350 0.001 0.000 0.297 268 T C 0.471 175.169 174.700 -0.004 0.000 1.029 268 T CA -0.333 61.751 62.100 -0.027 0.000 1.104 268 T CB 0.497 69.300 68.868 -0.109 0.000 0.964 268 T HN 0.361 nan 8.240 nan 0.000 0.532 269 I N 4.901 125.462 120.570 -0.015 0.000 2.359 269 I HA 0.374 4.544 4.170 0.001 0.000 0.284 269 I C 0.379 176.489 176.117 -0.012 0.000 1.018 269 I CA -0.651 60.660 61.300 0.017 0.000 1.173 269 I CB 0.997 39.013 38.000 0.026 0.000 1.326 269 I HN 0.555 nan 8.210 nan 0.000 0.462 270 K N 4.724 125.126 120.400 0.004 0.000 2.281 270 K HA 0.902 5.222 4.320 0.001 0.000 0.242 270 K C -0.817 175.815 176.600 0.053 0.000 0.971 270 K CA -0.780 55.492 56.287 -0.024 0.000 0.834 270 K CB 2.865 35.274 32.500 -0.151 0.000 1.181 270 K HN 0.592 nan 8.250 nan 0.000 0.435 271 A N 0.809 123.647 122.820 0.030 0.000 2.498 271 A HA 0.644 4.965 4.320 0.001 0.000 0.298 271 A C -1.021 176.585 177.584 0.036 0.000 1.075 271 A CA -0.668 51.388 52.037 0.033 0.000 0.714 271 A CB 1.664 20.669 19.000 0.008 0.000 1.299 271 A HN 0.547 nan 8.150 nan 0.000 0.407 272 T N 1.851 116.420 114.554 0.025 0.000 2.797 272 T HA 0.608 4.958 4.350 0.001 0.000 0.279 272 T C -0.455 174.244 174.700 -0.003 0.000 0.991 272 T CA -0.146 61.971 62.100 0.028 0.000 0.979 272 T CB 0.563 69.452 68.868 0.036 0.000 0.943 272 T HN 0.445 nan 8.240 nan 0.000 0.444 273 L N 4.692 125.928 121.223 0.023 0.000 2.334 273 L HA 0.498 4.838 4.340 0.001 0.000 0.276 273 L C -2.060 174.840 176.870 0.050 0.000 1.014 273 L CA -2.744 52.106 54.840 0.017 0.000 0.815 273 L CB 1.776 43.878 42.059 0.072 0.000 1.268 273 L HN 0.365 nan 8.230 nan 0.000 0.428 274 P HA -0.088 nan 4.420 nan 0.000 0.262 274 P C -0.764 176.732 177.300 0.327 0.000 1.182 274 P CA 0.404 63.609 63.100 0.176 0.000 0.761 274 P CB 0.247 32.040 31.700 0.154 0.000 0.795 275 Y N -0.303 119.978 120.300 -0.032 0.000 4.729 275 Y HA -0.186 4.365 4.550 0.001 0.000 0.239 275 Y C 0.570 176.468 175.900 -0.003 0.000 1.043 275 Y CA 0.302 58.401 58.100 -0.002 0.000 2.045 275 Y CB -2.432 36.031 38.460 0.006 0.000 1.599 275 Y HN 0.371 nan 8.280 nan 0.000 0.655 276 I N 0.361 120.997 120.570 0.111 0.000 2.437 276 I HA 0.142 4.312 4.170 0.001 0.000 0.279 276 I C 1.227 177.386 176.117 0.070 0.000 1.028 276 I CA -0.779 60.569 61.300 0.080 0.000 1.142 276 I CB 1.391 39.433 38.000 0.070 0.000 1.266 276 I HN 0.022 nan 8.210 nan 0.000 0.461 277 K N 3.167 123.607 120.400 0.066 0.000 2.127 277 K HA -0.210 4.111 4.320 0.001 0.000 0.208 277 K C 1.029 177.667 176.600 0.062 0.000 1.047 277 K CA 1.591 57.908 56.287 0.051 0.000 0.927 277 K CB 0.072 32.599 32.500 0.046 0.000 0.716 277 K HN 0.580 nan 8.250 nan 0.000 0.450 278 Q N 0.058 119.908 119.800 0.084 0.000 2.527 278 Q HA 0.098 4.439 4.340 0.001 0.000 0.220 278 Q C -0.859 175.207 176.000 0.111 0.000 1.014 278 Q CA -0.834 55.031 55.803 0.102 0.000 0.978 278 Q CB 1.429 30.242 28.738 0.125 0.000 1.245 278 Q HN -0.030 nan 8.270 nan 0.000 0.513 279 D N -0.045 120.422 120.400 0.111 0.000 2.487 279 D HA 0.533 5.173 4.640 0.001 0.000 0.262 279 D C -0.636 175.698 176.300 0.057 0.000 1.130 279 D CA -0.224 53.826 54.000 0.083 0.000 1.038 279 D CB 1.091 41.938 40.800 0.078 0.000 1.142 279 D HN 0.409 nan 8.370 nan 0.000 0.575 280 I N 1.060 121.633 120.570 0.005 0.000 2.571 280 I HA 0.168 4.338 4.170 0.001 0.000 0.289 280 I C -2.586 173.478 176.117 -0.088 0.000 1.115 280 I CA -2.036 59.224 61.300 -0.066 0.000 1.045 280 I CB 3.006 40.994 38.000 -0.020 0.000 1.238 280 I HN -0.058 nan 8.210 nan 0.000 0.424 281 P HA 0.136 nan 4.420 nan 0.000 0.270 281 P C 1.278 178.548 177.300 -0.051 0.000 1.242 281 P CA -0.108 62.931 63.100 -0.101 0.000 0.768 281 P CB 0.585 32.210 31.700 -0.125 0.000 0.820 282 I N 1.648 122.209 120.570 -0.014 0.000 2.271 282 I HA -0.374 3.796 4.170 0.001 0.000 0.252 282 I C 1.442 177.598 176.117 0.064 0.000 1.043 282 I CA 1.735 63.030 61.300 -0.008 0.000 1.337 282 I CB -1.581 36.459 38.000 0.066 0.000 1.024 282 I HN 0.019 nan 8.210 nan 0.000 0.437 283 V N 2.190 122.176 119.914 0.121 0.000 2.221 283 V HA -0.336 3.784 4.120 0.001 0.000 0.244 283 V C 2.581 178.743 176.094 0.113 0.000 1.043 283 V CA 2.770 65.171 62.300 0.169 0.000 0.996 283 V CB -0.897 30.975 31.823 0.082 0.000 0.636 283 V HN 0.478 nan 8.190 nan 0.000 0.454 284 I N -0.083 120.487 120.570 -0.000 0.000 2.182 284 I HA -0.355 3.816 4.170 0.001 0.000 0.248 284 I C 2.360 178.474 176.117 -0.004 0.000 1.073 284 I CA 2.085 63.363 61.300 -0.036 0.000 1.335 284 I CB -0.588 37.310 38.000 -0.169 0.000 1.031 284 I HN 0.316 nan 8.210 nan 0.000 0.420 285 I N -0.013 120.538 120.570 -0.032 0.000 2.142 285 I HA -0.312 3.859 4.170 0.001 0.000 0.240 285 I C 2.515 178.586 176.117 -0.077 0.000 1.078 285 I CA 1.770 63.023 61.300 -0.079 0.000 1.343 285 I CB -0.521 37.404 38.000 -0.126 0.000 1.046 285 I HN 0.086 nan 8.210 nan 0.000 0.405 286 F N 0.986 120.923 119.950 -0.021 0.000 2.154 286 F HA -0.246 4.282 4.527 0.001 0.000 0.301 286 F C 2.785 178.564 175.800 -0.036 0.000 1.087 286 F CA 1.271 59.248 58.000 -0.038 0.000 1.274 286 F CB -0.190 38.807 39.000 -0.004 0.000 1.009 286 F HN -0.054 nan 8.300 nan 0.000 0.485 287 R N -0.372 120.236 120.500 0.180 0.000 2.119 287 R HA -0.013 4.327 4.340 0.001 0.000 0.222 287 R C 2.251 178.585 176.300 0.058 0.000 1.088 287 R CA 0.843 57.004 56.100 0.101 0.000 0.984 287 R CB -0.453 29.892 30.300 0.075 0.000 0.884 287 R HN 0.196 nan 8.270 nan 0.000 0.447 288 A N 0.677 123.518 122.820 0.034 0.000 2.172 288 A HA -0.018 4.302 4.320 0.001 0.000 0.216 288 A C 1.697 179.268 177.584 -0.022 0.000 1.154 288 A CA 0.834 52.874 52.037 0.005 0.000 0.701 288 A CB -0.152 18.843 19.000 -0.009 0.000 0.789 288 A HN 0.188 nan 8.150 nan 0.000 0.465 289 L N -1.208 120.005 121.223 -0.016 0.000 2.628 289 L HA 0.255 4.595 4.340 0.001 0.000 0.229 289 L C 1.279 178.158 176.870 0.015 0.000 1.137 289 L CA 0.427 55.247 54.840 -0.034 0.000 0.909 289 L CB -0.014 42.010 42.059 -0.058 0.000 1.137 289 L HN 0.524 nan 8.230 nan 0.000 0.470 290 G N 1.482 110.302 108.800 0.033 0.000 2.248 290 G HA2 -0.251 3.710 3.960 0.001 0.000 0.252 290 G HA3 -0.251 3.710 3.960 0.001 0.000 0.252 290 G C 0.063 174.999 174.900 0.060 0.000 1.085 290 G CA -0.179 44.945 45.100 0.040 0.000 0.845 290 G HN 0.362 nan 8.290 nan 0.000 0.494 291 I N 0.402 121.017 120.570 0.076 0.000 2.931 291 I HA 0.245 4.416 4.170 0.001 0.000 0.322 291 I C 1.840 177.997 176.117 0.066 0.000 1.446 291 I CA -0.722 60.626 61.300 0.081 0.000 0.825 291 I CB 0.042 38.094 38.000 0.085 0.000 2.195 291 I HN 0.149 nan 8.210 nan 0.000 0.608 292 I N 2.738 123.341 120.570 0.054 0.000 2.113 292 I HA -0.136 4.034 4.170 0.001 0.000 0.242 292 I C -0.898 175.243 176.117 0.040 0.000 1.064 292 I CA 1.299 62.627 61.300 0.047 0.000 1.320 292 I CB -1.138 36.884 38.000 0.037 0.000 1.028 292 I HN 0.300 nan 8.210 nan 0.000 0.406 293 P HA 0.104 nan 4.420 nan 0.000 0.279 293 P C -1.032 176.271 177.300 0.005 0.000 1.239 293 P CA -0.073 63.039 63.100 0.020 0.000 0.789 293 P CB 0.672 32.379 31.700 0.012 0.000 0.933 294 D N 0.953 121.361 120.400 0.014 0.000 2.372 294 D HA 0.231 4.872 4.640 0.001 0.000 0.243 294 D C 1.789 178.075 176.300 -0.024 0.000 1.297 294 D CA 0.809 54.809 54.000 0.000 0.000 0.958 294 D CB -0.474 40.336 40.800 0.017 0.000 1.114 294 D HN 0.666 nan 8.370 nan 0.000 0.496 295 G N -0.067 108.711 108.800 -0.036 0.000 2.746 295 G HA2 -0.471 3.489 3.960 0.001 0.000 0.236 295 G HA3 -0.471 3.489 3.960 0.001 0.000 0.236 295 G C 1.070 175.923 174.900 -0.078 0.000 1.172 295 G CA 0.940 46.012 45.100 -0.046 0.000 0.736 295 G HN 0.595 nan 8.290 nan 0.000 0.519 296 E N 0.174 120.323 120.200 -0.084 0.000 2.285 296 E HA 0.215 4.565 4.350 0.001 0.000 0.194 296 E C 2.572 179.046 176.600 -0.210 0.000 0.997 296 E CA 0.610 56.932 56.400 -0.130 0.000 0.845 296 E CB -0.082 29.579 29.700 -0.066 0.000 0.782 296 E HN 0.689 nan 8.360 nan 0.000 0.491 297 I N 0.655 121.119 120.570 -0.177 0.000 2.277 297 I HA -0.205 3.966 4.170 0.001 0.000 0.243 297 I C 1.964 177.901 176.117 -0.299 0.000 1.094 297 I CA 0.386 61.483 61.300 -0.339 0.000 1.393 297 I CB -0.043 37.779 38.000 -0.298 0.000 1.078 297 I HN 0.208 nan 8.210 nan 0.000 0.417 298 L N 0.638 121.773 121.223 -0.146 0.000 2.261 298 L HA -0.201 4.139 4.340 0.001 0.000 0.216 298 L C 2.335 179.190 176.870 -0.024 0.000 1.114 298 L CA 1.701 56.505 54.840 -0.059 0.000 0.777 298 L CB -1.141 40.902 42.059 -0.026 0.000 0.910 298 L HN 0.405 nan 8.230 nan 0.000 0.440 299 E N -1.003 119.136 120.200 -0.101 0.000 2.208 299 E HA -0.157 4.194 4.350 0.001 0.000 0.193 299 E C 1.871 178.452 176.600 -0.031 0.000 0.988 299 E CA 0.537 56.900 56.400 -0.063 0.000 0.828 299 E CB 0.034 29.633 29.700 -0.169 0.000 0.763 299 E HN 0.612 nan 8.360 nan 0.000 0.478 300 H N -0.267 118.735 119.070 -0.113 0.000 2.529 300 H HA 0.077 4.633 4.556 0.001 0.000 0.277 300 H C 1.907 177.409 175.328 0.290 0.000 0.999 300 H CA 0.677 56.637 56.048 -0.148 0.000 1.256 300 H CB 0.471 29.925 29.762 -0.513 0.000 1.402 300 H HN 0.203 nan 8.280 nan 0.000 0.566 301 I N -0.947 119.808 120.570 0.308 0.000 3.136 301 I HA -0.021 4.149 4.170 0.001 0.000 0.262 301 I C 0.851 177.021 176.117 0.089 0.000 1.132 301 I CA 0.196 61.640 61.300 0.239 0.000 1.450 301 I CB 0.715 38.801 38.000 0.144 0.000 1.315 301 I HN 0.040 nan 8.210 nan 0.000 0.460 302 C N 1.321 120.707 119.300 0.144 0.000 2.273 302 C HA 0.312 4.772 4.460 0.001 0.000 0.328 302 C C 0.867 176.085 174.990 0.381 0.000 1.275 302 C CA -0.376 58.698 59.018 0.093 0.000 1.704 302 C CB -0.645 27.131 27.740 0.059 0.000 2.326 302 C HN 0.444 nan 8.230 nan 0.000 0.517 303 Y N 3.128 123.528 120.300 0.166 0.000 2.532 303 Y HA 0.274 4.825 4.550 0.001 0.000 0.283 303 Y C 0.866 176.859 175.900 0.156 0.000 1.181 303 Y CA -0.440 57.784 58.100 0.207 0.000 1.256 303 Y CB 0.200 38.826 38.460 0.277 0.000 1.112 303 Y HN 0.652 nan 8.280 nan 0.000 0.521 304 D N 0.172 120.719 120.400 0.245 0.000 2.591 304 D HA 0.089 4.729 4.640 0.001 0.000 0.222 304 D C 0.177 176.548 176.300 0.119 0.000 1.360 304 D CA -0.126 53.974 54.000 0.167 0.000 0.967 304 D CB 1.965 42.850 40.800 0.142 0.000 1.456 304 D HN -0.059 nan 8.370 nan 0.000 0.588 305 V N 2.984 122.954 119.914 0.093 0.000 3.383 305 V HA -0.049 4.072 4.120 0.001 0.000 0.272 305 V C 1.234 177.380 176.094 0.088 0.000 1.181 305 V CA 0.768 63.106 62.300 0.063 0.000 1.171 305 V CB -0.644 31.180 31.823 0.003 0.000 0.800 305 V HN 0.472 nan 8.190 nan 0.000 0.515 306 N N 0.997 119.762 118.700 0.107 0.000 2.451 306 N HA 0.089 4.829 4.740 0.001 0.000 0.264 306 N C 0.236 175.869 175.510 0.206 0.000 1.167 306 N CA 0.160 53.296 53.050 0.143 0.000 0.898 306 N CB 0.374 38.927 38.487 0.110 0.000 1.176 306 N HN 0.395 nan 8.380 nan 0.000 0.507 307 D N 0.570 121.076 120.400 0.178 0.000 2.957 307 D HA 0.018 4.658 4.640 0.001 0.000 0.352 307 D C 1.493 177.804 176.300 0.019 0.000 1.352 307 D CA -0.576 53.473 54.000 0.083 0.000 0.831 307 D CB -0.007 40.803 40.800 0.016 0.000 1.147 307 D HN 0.206 nan 8.370 nan 0.000 0.467 308 W N 0.907 122.207 121.300 0.000 0.000 2.276 308 W HA -0.294 4.367 4.660 0.001 0.000 0.307 308 W C 1.201 177.717 176.519 -0.007 0.000 1.240 308 W CA 0.655 57.997 57.345 -0.005 0.000 1.249 308 W CB -1.074 28.382 29.460 -0.006 0.000 1.140 308 W HN 0.186 nan 8.180 nan 0.000 0.519 309 Q N 0.626 119.843 119.800 -0.971 0.000 1.948 309 Q HA -0.271 4.069 4.340 0.001 0.000 0.205 309 Q C 2.518 178.305 176.000 -0.356 0.000 0.992 309 Q CA 2.546 57.842 55.803 -0.846 0.000 0.849 309 Q CB -0.852 27.328 28.738 -0.930 0.000 0.918 309 Q HN 0.441 nan 8.270 nan 0.000 0.421 310 M N 0.705 120.140 119.600 -0.276 0.000 2.106 310 M HA -0.234 4.246 4.480 0.001 0.000 0.259 310 M C 2.020 178.264 176.300 -0.095 0.000 1.068 310 M CA 1.502 56.708 55.300 -0.157 0.000 1.100 310 M CB -0.120 32.404 32.600 -0.126 0.000 1.351 310 M HN 0.178 nan 8.290 nan 0.000 0.404 311 L N 0.066 121.250 121.223 -0.064 0.000 1.955 311 L HA -0.262 4.078 4.340 0.001 0.000 0.213 311 L C 2.544 179.413 176.870 -0.002 0.000 1.072 311 L CA 1.948 56.785 54.840 -0.005 0.000 0.755 311 L CB -1.099 40.989 42.059 0.049 0.000 0.888 311 L HN 0.354 nan 8.230 nan 0.000 0.432 312 E N 0.360 120.565 120.200 0.007 0.000 2.113 312 E HA -0.305 4.046 4.350 0.001 0.000 0.210 312 E C 2.148 178.740 176.600 -0.013 0.000 1.040 312 E CA 1.999 58.411 56.400 0.020 0.000 0.847 312 E CB -0.285 29.430 29.700 0.025 0.000 0.755 312 E HN 0.223 nan 8.360 nan 0.000 0.459 313 M N -0.536 119.036 119.600 -0.047 0.000 2.255 313 M HA -0.188 4.293 4.480 0.001 0.000 0.259 313 M C 2.193 178.478 176.300 -0.024 0.000 1.071 313 M CA 1.300 56.572 55.300 -0.047 0.000 1.074 313 M CB -0.597 31.959 32.600 -0.072 0.000 1.384 313 M HN 0.233 nan 8.290 nan 0.000 0.415 314 L N -1.352 119.863 121.223 -0.013 0.000 2.446 314 L HA -0.075 4.265 4.340 0.001 0.000 0.219 314 L C 2.352 179.225 176.870 0.005 0.000 1.116 314 L CA 0.222 55.065 54.840 0.004 0.000 0.844 314 L CB -0.370 41.697 42.059 0.013 0.000 0.970 314 L HN 0.211 nan 8.230 nan 0.000 0.457 315 K N 0.770 121.170 120.400 0.001 0.000 2.034 315 K HA -0.189 4.132 4.320 0.001 0.000 0.214 315 K C -0.407 176.187 176.600 -0.009 0.000 1.051 315 K CA 2.021 58.306 56.287 -0.003 0.000 0.931 315 K CB -1.092 31.408 32.500 -0.000 0.000 0.715 315 K HN 0.260 nan 8.250 nan 0.000 0.446 316 P HA -0.194 nan 4.420 nan 0.000 0.218 316 P C 1.650 178.945 177.300 -0.008 0.000 1.148 316 P CA 1.247 64.341 63.100 -0.011 0.000 0.822 316 P CB -0.113 31.581 31.700 -0.009 0.000 0.784 317 C N -0.028 119.270 119.300 -0.002 0.000 2.455 317 C HA -0.114 4.347 4.460 0.001 0.000 0.281 317 C C 2.860 177.859 174.990 0.015 0.000 1.237 317 C CA 0.985 60.005 59.018 0.004 0.000 1.726 317 C CB -1.430 26.322 27.740 0.019 0.000 2.068 317 C HN 0.068 nan 8.230 nan 0.000 0.466 318 V N 1.059 120.986 119.914 0.022 0.000 2.277 318 V HA -0.312 3.809 4.120 0.001 0.000 0.253 318 V C 2.361 178.480 176.094 0.042 0.000 1.067 318 V CA 2.594 64.915 62.300 0.035 0.000 1.047 318 V CB -1.025 30.809 31.823 0.019 0.000 0.649 318 V HN 0.625 nan 8.190 nan 0.000 0.447 319 E N -0.571 119.635 120.200 0.009 0.000 2.273 319 E HA -0.285 4.065 4.350 0.001 0.000 0.198 319 E C 1.863 178.503 176.600 0.065 0.000 1.002 319 E CA 1.349 57.752 56.400 0.004 0.000 0.828 319 E CB -0.176 29.502 29.700 -0.036 0.000 0.747 319 E HN 0.696 nan 8.360 nan 0.000 0.491 320 D N -0.346 120.078 120.400 0.039 0.000 2.085 320 D HA -0.078 4.562 4.640 0.001 0.000 0.199 320 D C 1.975 178.298 176.300 0.038 0.000 0.981 320 D CA 1.442 55.455 54.000 0.021 0.000 0.834 320 D CB -0.321 40.462 40.800 -0.028 0.000 0.992 320 D HN 0.167 nan 8.370 nan 0.000 0.457 321 G N -0.840 107.983 108.800 0.038 0.000 2.679 321 G HA2 -0.218 3.743 3.960 0.001 0.000 0.212 321 G HA3 -0.218 3.743 3.960 0.001 0.000 0.212 321 G C 1.253 176.208 174.900 0.091 0.000 1.137 321 G CA 0.078 45.193 45.100 0.026 0.000 0.787 321 G HN 0.298 nan 8.290 nan 0.000 0.534 322 F N 1.908 121.850 119.950 -0.013 0.000 2.244 322 F HA -0.206 4.321 4.527 0.001 0.000 0.301 322 F C 2.110 177.913 175.800 0.006 0.000 1.050 322 F CA 1.231 59.231 58.000 -0.001 0.000 1.345 322 F CB 0.017 39.017 39.000 -0.000 0.000 1.070 322 F HN 0.046 nan 8.300 nan 0.000 0.519 323 V N 0.530 120.367 119.914 -0.128 0.000 3.573 323 V HA 0.003 4.123 4.120 0.001 0.000 0.270 323 V C 1.028 177.039 176.094 -0.138 0.000 1.221 323 V CA 0.487 62.663 62.300 -0.207 0.000 1.163 323 V CB -0.941 30.846 31.823 -0.061 0.000 0.847 323 V HN 0.119 nan 8.190 nan 0.000 0.468 324 I N -0.143 120.370 120.570 -0.095 0.000 2.740 324 I HA 0.483 4.654 4.170 0.001 0.000 0.303 324 I C 0.317 176.409 176.117 -0.042 0.000 1.044 324 I CA -0.336 60.938 61.300 -0.043 0.000 1.064 324 I CB 2.304 40.298 38.000 -0.010 0.000 1.249 324 I HN -0.029 nan 8.210 nan 0.000 0.433 325 Q N 2.659 122.447 119.800 -0.020 0.000 1.882 325 Q HA 0.149 4.489 4.340 0.001 0.000 0.188 325 Q C -1.879 174.128 176.000 0.011 0.000 0.795 325 Q CA -0.176 55.624 55.803 -0.005 0.000 0.932 325 Q CB 0.541 29.260 28.738 -0.031 0.000 1.239 325 Q HN 0.757 nan 8.270 nan 0.000 0.406 326 D N -2.643 117.767 120.400 0.017 0.000 2.706 326 D HA 0.137 4.777 4.640 0.001 0.000 0.227 326 D C 0.135 176.452 176.300 0.029 0.000 1.233 326 D CA -0.661 53.352 54.000 0.022 0.000 0.768 326 D CB 0.511 41.320 40.800 0.016 0.000 1.490 326 D HN -0.004 nan 8.370 nan 0.000 0.458 327 R N 0.694 121.212 120.500 0.029 0.000 2.153 327 R HA -0.223 4.118 4.340 0.001 0.000 0.252 327 R C 1.348 177.667 176.300 0.033 0.000 1.158 327 R CA 2.197 58.315 56.100 0.031 0.000 0.975 327 R CB 0.051 30.367 30.300 0.026 0.000 0.871 327 R HN 0.618 nan 8.270 nan 0.000 0.450 328 E N -0.917 119.301 120.200 0.029 0.000 2.002 328 E HA -0.196 4.154 4.350 0.001 0.000 0.205 328 E C 1.879 178.504 176.600 0.041 0.000 1.020 328 E CA 2.230 58.649 56.400 0.031 0.000 0.856 328 E CB -0.254 29.461 29.700 0.024 0.000 0.788 328 E HN 0.364 nan 8.360 nan 0.000 0.477 329 T N 1.195 115.774 114.554 0.041 0.000 2.849 329 T HA -0.182 4.169 4.350 0.001 0.000 0.270 329 T C 1.753 176.504 174.700 0.085 0.000 1.066 329 T CA 0.968 63.102 62.100 0.057 0.000 1.130 329 T CB -0.283 68.611 68.868 0.043 0.000 0.864 329 T HN 0.291 nan 8.240 nan 0.000 0.481 330 A N 1.850 124.709 122.820 0.066 0.000 1.834 330 A HA -0.050 4.270 4.320 0.001 0.000 0.216 330 A C 2.114 179.756 177.584 0.096 0.000 1.203 330 A CA 1.443 53.522 52.037 0.070 0.000 0.621 330 A CB -0.984 18.044 19.000 0.047 0.000 0.841 330 A HN 0.380 nan 8.150 nan 0.000 0.446 331 L N 0.349 121.615 121.223 0.071 0.000 2.187 331 L HA -0.165 4.176 4.340 0.001 0.000 0.213 331 L C 2.051 178.979 176.870 0.098 0.000 1.100 331 L CA 2.051 56.934 54.840 0.071 0.000 0.765 331 L CB -0.962 41.125 42.059 0.047 0.000 0.904 331 L HN 0.595 nan 8.230 nan 0.000 0.437 332 D N -0.780 119.679 120.400 0.099 0.000 2.158 332 D HA -0.294 4.346 4.640 0.001 0.000 0.197 332 D C 2.106 178.467 176.300 0.101 0.000 0.995 332 D CA 1.260 55.313 54.000 0.088 0.000 0.846 332 D CB -0.071 40.773 40.800 0.075 0.000 0.941 332 D HN 0.290 nan 8.370 nan 0.000 0.456 333 F N 0.469 120.432 119.950 0.022 0.000 2.053 333 F HA 0.001 4.529 4.527 0.001 0.000 0.292 333 F C 2.248 178.064 175.800 0.026 0.000 1.125 333 F CA 1.215 59.228 58.000 0.023 0.000 1.193 333 F CB -0.226 38.784 39.000 0.016 0.000 0.996 333 F HN -0.073 nan 8.300 nan 0.000 0.470 334 I N 0.243 121.018 120.570 0.340 0.000 2.181 334 I HA -0.370 3.801 4.170 0.001 0.000 0.247 334 I C 2.588 178.750 176.117 0.075 0.000 1.081 334 I CA 1.706 63.124 61.300 0.196 0.000 1.340 334 I CB -1.386 36.679 38.000 0.108 0.000 1.036 334 I HN 0.373 nan 8.210 nan 0.000 0.417 335 G N 0.432 109.275 108.800 0.071 0.000 2.394 335 G HA2 -0.142 3.818 3.960 0.001 0.000 0.214 335 G HA3 -0.142 3.818 3.960 0.001 0.000 0.214 335 G C 1.797 176.789 174.900 0.152 0.000 1.176 335 G CA 0.177 45.348 45.100 0.119 0.000 0.786 335 G HN 0.293 nan 8.290 nan 0.000 0.533 336 R N -0.259 120.263 120.500 0.036 0.000 2.066 336 R HA 0.037 4.377 4.340 0.001 0.000 0.232 336 R C 2.610 178.872 176.300 -0.063 0.000 1.131 336 R CA 0.942 57.026 56.100 -0.026 0.000 0.955 336 R CB -0.309 29.922 30.300 -0.115 0.000 0.851 336 R HN 0.095 nan 8.270 nan 0.000 0.432 337 R N 0.642 121.048 120.500 -0.156 0.000 2.119 337 R HA -0.125 4.216 4.340 0.001 0.000 0.246 337 R C 2.066 178.368 176.300 0.003 0.000 1.146 337 R CA 1.975 57.989 56.100 -0.143 0.000 0.962 337 R CB -1.000 29.235 30.300 -0.109 0.000 0.863 337 R HN 0.394 nan 8.270 nan 0.000 0.442 338 G N -2.728 106.154 108.800 0.137 0.000 2.439 338 G HA2 -0.094 3.866 3.960 0.001 0.000 0.212 338 G HA3 -0.094 3.866 3.960 0.001 0.000 0.212 338 G C 0.675 175.701 174.900 0.210 0.000 1.199 338 G CA 0.881 46.079 45.100 0.163 0.000 0.807 338 G HN 0.394 nan 8.290 nan 0.000 0.537 339 T N 1.153 115.928 114.554 0.368 0.000 3.248 339 T HA 0.654 5.004 4.350 0.001 0.000 0.271 339 T C 0.476 175.208 174.700 0.053 0.000 1.005 339 T CA 0.161 62.369 62.100 0.180 0.000 0.902 339 T CB 0.651 69.612 68.868 0.154 0.000 1.102 339 T HN 0.439 nan 8.240 nan 0.000 0.548 340 A N 0.683 123.546 122.820 0.070 0.000 2.293 340 A HA 0.871 5.191 4.320 0.001 0.000 0.302 340 A C 0.499 178.081 177.584 -0.003 0.000 1.119 340 A CA -0.413 51.633 52.037 0.015 0.000 0.823 340 A CB 0.680 19.701 19.000 0.034 0.000 1.097 340 A HN 0.458 nan 8.150 nan 0.000 0.491 341 L N 0.613 121.827 121.223 -0.015 0.000 1.768 341 L HA 0.180 4.521 4.340 0.001 0.000 0.178 341 L C 1.826 178.686 176.870 -0.016 0.000 1.256 341 L CA 0.714 55.545 54.840 -0.015 0.000 1.175 341 L CB 0.023 42.073 42.059 -0.014 0.000 2.460 341 L HN 0.816 nan 8.230 nan 0.000 0.499 342 G N 0.584 109.373 108.800 -0.019 0.000 3.233 342 G HA2 0.274 4.234 3.960 0.001 0.000 0.234 342 G HA3 0.274 4.234 3.960 0.001 0.000 0.234 342 G C 0.546 175.435 174.900 -0.017 0.000 1.137 342 G CA -0.172 44.918 45.100 -0.017 0.000 0.763 342 G HN 0.063 nan 8.290 nan 0.000 0.549 343 I N 0.953 121.511 120.570 -0.019 0.000 2.618 343 I HA 0.042 4.212 4.170 0.001 0.000 0.284 343 I C 1.016 177.130 176.117 -0.005 0.000 1.146 343 I CA 0.149 61.441 61.300 -0.014 0.000 1.425 343 I CB 1.307 39.302 38.000 -0.008 0.000 1.383 343 I HN 0.056 nan 8.210 nan 0.000 0.562 344 K N 5.362 125.761 120.400 -0.002 0.000 2.444 344 K HA 0.099 4.419 4.320 0.001 0.000 0.193 344 K C 0.544 177.148 176.600 0.006 0.000 1.024 344 K CA 0.216 56.503 56.287 0.001 0.000 1.077 344 K CB 0.261 32.761 32.500 0.000 0.000 0.833 344 K HN 0.602 nan 8.250 nan 0.000 0.517 345 K N -1.249 119.157 120.400 0.011 0.000 2.275 345 K HA -0.154 4.167 4.320 0.001 0.000 0.435 345 K C 1.046 177.662 176.600 0.027 0.000 0.368 345 K CA 0.796 57.094 56.287 0.019 0.000 1.930 345 K CB -0.886 31.623 32.500 0.014 0.000 0.567 345 K HN 0.006 nan 8.250 nan 0.000 0.350 346 E N 1.729 121.942 120.200 0.022 0.000 2.204 346 E HA -0.103 4.247 4.350 0.001 0.000 0.194 346 E C 1.489 178.110 176.600 0.034 0.000 0.989 346 E CA 1.107 57.523 56.400 0.027 0.000 0.824 346 E CB 0.053 29.765 29.700 0.020 0.000 0.756 346 E HN 0.270 nan 8.360 nan 0.000 0.477 347 K N 0.252 120.669 120.400 0.028 0.000 2.116 347 K HA -0.004 4.316 4.320 0.001 0.000 0.203 347 K C 2.152 178.791 176.600 0.064 0.000 1.052 347 K CA 0.440 56.744 56.287 0.028 0.000 0.952 347 K CB 0.058 32.556 32.500 -0.003 0.000 0.729 347 K HN -0.047 nan 8.250 nan 0.000 0.446 348 R N 0.956 121.498 120.500 0.069 0.000 2.070 348 R HA -0.033 4.308 4.340 0.001 0.000 0.233 348 R C 2.325 178.709 176.300 0.141 0.000 1.137 348 R CA 1.366 57.536 56.100 0.117 0.000 0.945 348 R CB -0.352 29.991 30.300 0.071 0.000 0.845 348 R HN 0.124 nan 8.270 nan 0.000 0.430 349 I N 0.457 121.082 120.570 0.092 0.000 2.163 349 I HA -0.301 3.869 4.170 0.001 0.000 0.243 349 I C 2.488 178.660 176.117 0.092 0.000 1.085 349 I CA 1.212 62.560 61.300 0.080 0.000 1.347 349 I CB -0.249 37.784 38.000 0.055 0.000 1.044 349 I HN 0.174 nan 8.210 nan 0.000 0.408 350 Q N 0.094 119.953 119.800 0.098 0.000 2.170 350 Q HA -0.246 4.094 4.340 0.001 0.000 0.203 350 Q C 2.014 178.114 176.000 0.166 0.000 0.976 350 Q CA 1.664 57.528 55.803 0.101 0.000 0.858 350 Q CB -0.458 28.327 28.738 0.079 0.000 0.907 350 Q HN 0.506 nan 8.270 nan 0.000 0.433 351 Y N -0.025 120.290 120.300 0.025 0.000 2.145 351 Y HA -0.168 4.382 4.550 0.001 0.000 0.286 351 Y C 1.972 177.891 175.900 0.032 0.000 1.145 351 Y CA 1.395 59.512 58.100 0.029 0.000 1.148 351 Y CB -0.968 37.513 38.460 0.035 0.000 0.981 351 Y HN 0.145 nan 8.280 nan 0.000 0.507 352 A N 0.374 123.222 122.820 0.047 0.000 1.845 352 A HA -0.221 4.099 4.320 0.001 0.000 0.215 352 A C 2.350 179.922 177.584 -0.020 0.000 1.195 352 A CA 2.002 54.008 52.037 -0.052 0.000 0.616 352 A CB -0.775 18.228 19.000 0.006 0.000 0.832 352 A HN 0.464 nan 8.150 nan 0.000 0.443 353 K N -0.359 120.054 120.400 0.021 0.000 2.030 353 K HA -0.259 4.061 4.320 0.001 0.000 0.222 353 K C 1.789 178.400 176.600 0.017 0.000 1.056 353 K CA 2.052 58.350 56.287 0.019 0.000 0.957 353 K CB -0.522 31.999 32.500 0.036 0.000 0.727 353 K HN 0.536 nan 8.250 nan 0.000 0.452 354 D N 0.619 121.042 120.400 0.038 0.000 2.106 354 D HA -0.205 4.435 4.640 0.001 0.000 0.191 354 D C 2.038 178.341 176.300 0.005 0.000 0.997 354 D CA 1.486 55.508 54.000 0.037 0.000 0.834 354 D CB -0.411 40.433 40.800 0.073 0.000 0.956 354 D HN 0.257 nan 8.370 nan 0.000 0.448 355 I N 0.931 121.475 120.570 -0.043 0.000 2.151 355 I HA -0.284 3.886 4.170 0.001 0.000 0.243 355 I C 2.557 178.686 176.117 0.019 0.000 1.080 355 I CA 0.994 62.245 61.300 -0.081 0.000 1.339 355 I CB -0.330 37.555 38.000 -0.191 0.000 1.039 355 I HN -0.006 nan 8.210 nan 0.000 0.409 356 L N -0.306 120.925 121.223 0.013 0.000 2.201 356 L HA -0.191 4.149 4.340 0.001 0.000 0.212 356 L C 2.510 179.393 176.870 0.023 0.000 1.105 356 L CA 1.152 55.999 54.840 0.012 0.000 0.775 356 L CB -0.472 41.528 42.059 -0.097 0.000 0.913 356 L HN 0.360 nan 8.230 nan 0.000 0.440 357 Q N -0.262 119.553 119.800 0.026 0.000 2.134 357 Q HA -0.056 4.284 4.340 0.001 0.000 0.195 357 Q C 1.777 177.807 176.000 0.050 0.000 0.958 357 Q CA 0.865 56.689 55.803 0.035 0.000 0.840 357 Q CB 0.298 29.055 28.738 0.033 0.000 0.918 357 Q HN 0.374 nan 8.270 nan 0.000 0.467 358 K N -0.367 120.063 120.400 0.050 0.000 2.353 358 K HA 0.061 4.381 4.320 0.001 0.000 0.195 358 K C 1.089 177.749 176.600 0.100 0.000 1.031 358 K CA 0.317 56.642 56.287 0.064 0.000 1.079 358 K CB 0.714 33.249 32.500 0.059 0.000 0.857 358 K HN 0.049 nan 8.250 nan 0.000 0.535 359 E N -0.155 120.091 120.200 0.077 0.000 2.367 359 E HA 0.065 4.416 4.350 0.001 0.000 0.204 359 E C -0.119 176.552 176.600 0.119 0.000 0.840 359 E CA -0.139 56.298 56.400 0.063 0.000 1.051 359 E CB 0.219 29.872 29.700 -0.077 0.000 1.051 359 E HN 0.086 nan 8.360 nan 0.000 0.509 360 F N 2.999 122.947 119.950 -0.004 0.000 2.502 360 F HA 0.106 4.633 4.527 0.001 0.000 0.371 360 F C 0.754 176.570 175.800 0.027 0.000 1.083 360 F CA -0.555 57.452 58.000 0.012 0.000 1.174 360 F CB 0.401 39.398 39.000 -0.005 0.000 1.096 360 F HN -0.092 nan 8.300 nan 0.000 0.545 361 L N 8.869 130.035 121.223 -0.094 0.000 3.854 361 L HA -0.231 4.110 4.340 0.001 0.000 0.460 361 L C -1.521 175.423 176.870 0.124 0.000 1.228 361 L CA 0.214 55.089 54.840 0.059 0.000 0.760 361 L CB -1.047 41.110 42.059 0.164 0.000 1.597 361 L HN 0.582 nan 8.230 nan 0.000 0.852 362 P HA -0.226 nan 4.420 nan 0.000 0.219 362 P C 0.765 178.107 177.300 0.071 0.000 1.144 362 P CA 1.975 65.142 63.100 0.113 0.000 0.806 362 P CB -0.464 31.335 31.700 0.165 0.000 0.771 363 H N -1.130 117.925 119.070 -0.025 0.000 2.581 363 H HA 0.222 4.778 4.556 0.001 0.000 0.369 363 H C 1.554 176.820 175.328 -0.105 0.000 1.351 363 H CA -0.201 55.813 56.048 -0.056 0.000 1.434 363 H CB 0.698 30.426 29.762 -0.056 0.000 1.558 363 H HN -0.026 nan 8.280 nan 0.000 0.608 364 I N -1.897 118.464 120.570 -0.348 0.000 4.665 364 I HA -0.345 3.826 4.170 0.001 0.000 0.045 364 I C -0.141 175.777 176.117 -0.331 0.000 0.626 364 I CA 1.654 62.705 61.300 -0.416 0.000 0.809 364 I CB -1.206 36.426 38.000 -0.613 0.000 0.743 364 I HN 0.833 nan 8.210 nan 0.000 0.157 365 T N -0.259 114.115 114.554 -0.300 0.000 3.247 365 T HA 0.233 4.584 4.350 0.001 0.000 0.395 365 T C -0.883 173.716 174.700 -0.168 0.000 1.772 365 T CA -0.415 61.501 62.100 -0.307 0.000 1.117 365 T CB 1.444 69.908 68.868 -0.674 0.000 1.626 365 T HN 0.358 nan 8.240 nan 0.000 0.481 366 Q N 2.130 121.866 119.800 -0.105 0.000 2.171 366 Q HA 0.383 4.723 4.340 0.001 0.000 0.218 366 Q C 1.321 177.316 176.000 -0.009 0.000 0.822 366 Q CA -0.202 55.582 55.803 -0.032 0.000 0.987 366 Q CB 0.633 29.361 28.738 -0.017 0.000 1.144 366 Q HN 0.540 nan 8.270 nan 0.000 0.494 367 L N 0.234 121.443 121.223 -0.023 0.000 2.008 367 L HA -0.071 4.269 4.340 0.001 0.000 0.236 367 L C 1.543 178.475 176.870 0.103 0.000 1.082 367 L CA 1.374 56.243 54.840 0.048 0.000 1.932 367 L CB -0.180 41.931 42.059 0.086 0.000 1.627 367 L HN 0.205 nan 8.230 nan 0.000 0.843 368 E N -1.390 118.930 120.200 0.201 0.000 3.730 368 E HA 0.108 4.459 4.350 0.001 0.000 0.233 368 E C 1.065 177.786 176.600 0.202 0.000 1.281 368 E CA 0.321 56.815 56.400 0.157 0.000 1.519 368 E CB 0.139 29.898 29.700 0.097 0.000 2.292 368 E HN 0.455 nan 8.360 nan 0.000 0.655 369 G N 0.876 109.753 108.800 0.129 0.000 2.899 369 G HA2 -0.003 3.958 3.960 0.001 0.000 0.258 369 G HA3 -0.003 3.958 3.960 0.001 0.000 0.258 369 G C -0.374 174.324 174.900 -0.337 0.000 0.765 369 G CA 0.552 45.604 45.100 -0.081 0.000 2.018 369 G HN 0.119 nan 8.290 nan 0.000 0.587 370 F N -1.031 118.917 119.950 -0.003 0.000 2.802 370 F HA 0.261 4.788 4.527 0.001 0.000 0.346 370 F C 1.248 177.049 175.800 0.000 0.000 1.229 370 F CA -0.547 57.453 58.000 -0.001 0.000 1.142 370 F CB 0.800 39.794 39.000 -0.009 0.000 1.146 370 F HN 0.093 nan 8.300 nan 0.000 0.510 371 E N 0.257 120.516 120.200 0.099 0.000 2.209 371 E HA -0.170 4.180 4.350 0.001 0.000 0.196 371 E C 2.245 178.891 176.600 0.077 0.000 0.993 371 E CA 1.656 58.084 56.400 0.047 0.000 0.819 371 E CB -0.277 29.430 29.700 0.013 0.000 0.745 371 E HN 0.337 nan 8.360 nan 0.000 0.477 372 S N -0.751 115.017 115.700 0.113 0.000 2.527 372 S HA 0.057 4.528 4.470 0.001 0.000 0.222 372 S C 1.858 176.646 174.600 0.313 0.000 0.985 372 S CA 0.211 58.538 58.200 0.211 0.000 0.921 372 S CB 0.186 63.506 63.200 0.199 0.000 0.772 372 S HN 0.069 nan 8.310 nan 0.000 0.529 373 R N 0.892 121.534 120.500 0.237 0.000 2.189 373 R HA 0.277 4.617 4.340 0.001 0.000 0.203 373 R C 2.029 178.499 176.300 0.283 0.000 1.012 373 R CA 0.564 56.806 56.100 0.236 0.000 1.015 373 R CB 0.075 30.543 30.300 0.279 0.000 0.938 373 R HN 0.340 nan 8.270 nan 0.000 0.472 374 K N -0.531 120.004 120.400 0.225 0.000 2.211 374 K HA 0.112 4.432 4.320 0.001 0.000 0.201 374 K C 1.838 178.620 176.600 0.304 0.000 1.052 374 K CA 0.831 57.259 56.287 0.236 0.000 0.973 374 K CB 0.258 32.795 32.500 0.062 0.000 0.766 374 K HN 0.070 nan 8.250 nan 0.000 0.466 375 A N 0.575 123.514 122.820 0.198 0.000 1.969 375 A HA -0.089 4.231 4.320 0.001 0.000 0.218 375 A C 1.732 179.512 177.584 0.327 0.000 1.169 375 A CA 1.086 53.234 52.037 0.185 0.000 0.635 375 A CB -0.537 18.450 19.000 -0.021 0.000 0.810 375 A HN 0.189 nan 8.150 nan 0.000 0.445 376 F N -2.265 117.877 119.950 0.319 0.000 2.502 376 F HA 0.043 4.570 4.527 0.001 0.000 0.298 376 F C 1.779 178.091 175.800 0.853 0.000 1.111 376 F CA 0.851 59.163 58.000 0.521 0.000 1.445 376 F CB -0.128 38.987 39.000 0.192 0.000 1.081 376 F HN 0.338 nan 8.300 nan 0.000 0.558 377 F N -0.483 119.906 119.950 0.732 0.000 2.188 377 F HA -0.055 4.473 4.527 0.001 0.000 0.289 377 F C 2.189 178.304 175.800 0.524 0.000 1.082 377 F CA 0.689 59.092 58.000 0.671 0.000 1.282 377 F CB -0.552 38.760 39.000 0.521 0.000 1.060 377 F HN -0.121 nan 8.300 nan 0.000 0.493 378 L N 0.713 122.301 121.223 0.608 0.000 2.081 378 L HA -0.094 4.246 4.340 0.001 0.000 0.212 378 L C 2.211 179.260 176.870 0.298 0.000 1.080 378 L CA 2.402 57.454 54.840 0.354 0.000 0.754 378 L CB -1.630 40.530 42.059 0.169 0.000 0.893 378 L HN 0.199 nan 8.230 nan 0.000 0.433 379 G N -2.029 107.075 108.800 0.506 0.000 2.422 379 G HA2 -0.348 3.612 3.960 0.001 0.000 0.218 379 G HA3 -0.348 3.612 3.960 0.001 0.000 0.218 379 G C 1.526 176.643 174.900 0.363 0.000 1.140 379 G CA 0.727 46.150 45.100 0.538 0.000 0.775 379 G HN 0.570 nan 8.290 nan 0.000 0.545 380 Y N 0.587 121.031 120.300 0.239 0.000 2.421 380 Y HA 0.156 4.706 4.550 0.001 0.000 0.292 380 Y C 2.548 178.347 175.900 -0.168 0.000 1.136 380 Y CA 0.972 59.064 58.100 -0.013 0.000 1.255 380 Y CB -0.002 38.299 38.460 -0.265 0.000 0.991 380 Y HN 0.145 nan 8.280 nan 0.000 0.552 381 M N -0.920 118.559 119.600 -0.202 0.000 2.171 381 M HA -0.071 4.410 4.480 0.001 0.000 0.260 381 M C 2.035 178.218 176.300 -0.194 0.000 1.087 381 M CA 1.395 56.530 55.300 -0.275 0.000 1.154 381 M CB -0.249 32.283 32.600 -0.115 0.000 1.331 381 M HN 0.156 nan 8.290 nan 0.000 0.431 382 I N 0.677 121.216 120.570 -0.052 0.000 2.381 382 I HA -0.346 3.824 4.170 0.001 0.000 0.255 382 I C 2.009 178.078 176.117 -0.079 0.000 1.140 382 I CA 1.269 62.558 61.300 -0.018 0.000 1.404 382 I CB -0.872 37.185 38.000 0.095 0.000 1.075 382 I HN 0.437 nan 8.210 nan 0.000 0.433 383 N N 1.125 119.742 118.700 -0.138 0.000 2.048 383 N HA -0.166 4.575 4.740 0.001 0.000 0.193 383 N C 2.016 177.372 175.510 -0.257 0.000 1.061 383 N CA 1.306 54.224 53.050 -0.219 0.000 0.849 383 N CB -0.020 38.273 38.487 -0.324 0.000 1.044 383 N HN -0.018 nan 8.380 nan 0.000 0.429 384 R N 0.429 120.694 120.500 -0.392 0.000 2.162 384 R HA -0.220 4.120 4.340 0.001 0.000 0.245 384 R C 2.220 178.384 176.300 -0.226 0.000 1.129 384 R CA 1.545 57.424 56.100 -0.369 0.000 0.940 384 R CB -1.703 28.288 30.300 -0.516 0.000 0.875 384 R HN 0.455 nan 8.270 nan 0.000 0.437 385 L N 1.102 122.207 121.223 -0.196 0.000 1.976 385 L HA -0.256 4.084 4.340 0.001 0.000 0.223 385 L C 2.423 179.257 176.870 -0.059 0.000 1.081 385 L CA 1.961 56.737 54.840 -0.107 0.000 0.784 385 L CB -0.728 41.283 42.059 -0.079 0.000 0.896 385 L HN 0.175 nan 8.230 nan 0.000 0.438 386 L N -1.477 119.698 121.223 -0.080 0.000 1.971 386 L HA -0.286 4.054 4.340 0.001 0.000 0.215 386 L C 2.584 179.411 176.870 -0.072 0.000 1.072 386 L CA 1.403 56.198 54.840 -0.075 0.000 0.758 386 L CB -0.930 41.076 42.059 -0.088 0.000 0.889 386 L HN 0.311 nan 8.230 nan 0.000 0.433 387 L N -0.405 120.758 121.223 -0.101 0.000 2.198 387 L HA -0.355 3.985 4.340 0.001 0.000 0.218 387 L C 2.700 179.537 176.870 -0.054 0.000 1.084 387 L CA 1.814 56.598 54.840 -0.092 0.000 0.779 387 L CB -0.996 40.994 42.059 -0.116 0.000 0.890 387 L HN 0.492 nan 8.230 nan 0.000 0.439 388 C N -1.333 117.951 119.300 -0.027 0.000 2.587 388 C HA 0.066 4.527 4.460 0.001 0.000 0.282 388 C C 2.927 177.986 174.990 0.115 0.000 1.277 388 C CA 0.433 59.467 59.018 0.028 0.000 1.702 388 C CB -1.046 26.709 27.740 0.024 0.000 2.113 388 C HN 0.586 nan 8.230 nan 0.000 0.490 389 A N 0.114 123.040 122.820 0.177 0.000 2.245 389 A HA -0.034 4.286 4.320 0.001 0.000 0.217 389 A C 1.632 179.209 177.584 -0.013 0.000 1.171 389 A CA 1.412 53.477 52.037 0.047 0.000 0.688 389 A CB -0.645 18.212 19.000 -0.238 0.000 0.781 389 A HN 0.753 nan 8.150 nan 0.000 0.479 390 L N -1.553 119.659 121.223 -0.019 0.000 2.857 390 L HA 0.167 4.507 4.340 0.001 0.000 0.249 390 L C -0.589 176.261 176.870 -0.034 0.000 1.172 390 L CA -0.168 54.638 54.840 -0.055 0.000 0.980 390 L CB -0.346 41.654 42.059 -0.098 0.000 1.299 390 L HN 0.255 nan 8.230 nan 0.000 0.535 391 D N 0.972 121.372 120.400 0.001 0.000 2.697 391 D HA -0.196 4.444 4.640 0.001 0.000 0.238 391 D C 1.080 177.371 176.300 -0.014 0.000 1.152 391 D CA 0.558 54.559 54.000 0.000 0.000 0.666 391 D CB -0.440 40.360 40.800 0.001 0.000 1.037 391 D HN 0.365 nan 8.370 nan 0.000 0.423 392 R N -0.504 119.983 120.500 -0.022 0.000 2.310 392 R HA 0.177 4.518 4.340 0.001 0.000 0.199 392 R C 0.404 176.691 176.300 -0.022 0.000 0.891 392 R CA 0.089 56.174 56.100 -0.026 0.000 1.060 392 R CB 0.646 30.922 30.300 -0.040 0.000 1.188 392 R HN -0.079 nan 8.270 nan 0.000 0.607 393 K N 1.371 121.755 120.400 -0.027 0.000 2.427 393 K HA 0.243 4.564 4.320 0.001 0.000 0.252 393 K C -1.190 175.395 176.600 -0.024 0.000 0.931 393 K CA -0.539 55.731 56.287 -0.028 0.000 0.793 393 K CB 2.115 34.586 32.500 -0.048 0.000 1.211 393 K HN -0.027 nan 8.250 nan 0.000 0.426 394 D N 1.647 122.039 120.400 -0.013 0.000 2.361 394 D HA -0.042 4.599 4.640 0.001 0.000 0.239 394 D C 0.554 176.846 176.300 -0.013 0.000 1.200 394 D CA 0.150 54.146 54.000 -0.007 0.000 0.915 394 D CB 0.891 41.699 40.800 0.012 0.000 1.170 394 D HN 0.332 nan 8.370 nan 0.000 0.444 395 Q N 0.578 120.372 119.800 -0.009 0.000 2.454 395 Q HA -0.025 4.316 4.340 0.001 0.000 0.247 395 Q C -0.438 175.612 176.000 0.084 0.000 1.028 395 Q CA -0.177 55.636 55.803 0.017 0.000 0.910 395 Q CB 0.723 29.476 28.738 0.025 0.000 1.276 395 Q HN 0.294 nan 8.270 nan 0.000 0.489 396 D N 1.783 122.286 120.400 0.171 0.000 2.382 396 D HA -0.003 4.638 4.640 0.001 0.000 0.245 396 D C -0.819 175.628 176.300 0.245 0.000 1.120 396 D CA 0.193 54.321 54.000 0.214 0.000 0.890 396 D CB 0.781 41.718 40.800 0.229 0.000 1.201 396 D HN 0.500 nan 8.370 nan 0.000 0.433 397 D N 2.114 122.609 120.400 0.158 0.000 2.295 397 D HA 0.040 4.680 4.640 0.001 0.000 0.248 397 D C 0.773 177.114 176.300 0.069 0.000 1.154 397 D CA -0.244 53.817 54.000 0.102 0.000 0.857 397 D CB 0.706 41.589 40.800 0.138 0.000 1.117 397 D HN 0.273 nan 8.370 nan 0.000 0.468 398 R N 2.142 122.626 120.500 -0.027 0.000 2.307 398 R HA -0.001 4.339 4.340 0.001 0.000 0.199 398 R C -0.019 176.249 176.300 -0.054 0.000 1.000 398 R CA 0.589 56.653 56.100 -0.061 0.000 1.023 398 R CB 0.466 30.656 30.300 -0.183 0.000 0.908 398 R HN 0.448 nan 8.270 nan 0.000 0.473 399 D N -0.663 119.671 120.400 -0.110 0.000 2.538 399 D HA -0.015 4.625 4.640 0.001 0.000 0.231 399 D C -0.244 175.775 176.300 -0.468 0.000 1.229 399 D CA -0.088 53.777 54.000 -0.225 0.000 0.828 399 D CB 0.177 40.841 40.800 -0.227 0.000 1.035 399 D HN 0.108 nan 8.370 nan 0.000 0.495 400 H N 1.305 120.180 119.070 -0.325 0.000 3.205 400 H HA -0.024 4.533 4.556 0.001 0.000 0.262 400 H C 0.939 176.222 175.328 -0.075 0.000 1.333 400 H CA -0.376 55.527 56.048 -0.241 0.000 1.499 400 H CB -0.269 29.451 29.762 -0.069 0.000 1.609 400 H HN -0.037 nan 8.280 nan 0.000 0.498 401 F N 3.644 123.479 119.950 -0.191 0.000 2.192 401 F HA -0.248 4.279 4.527 0.001 0.000 0.300 401 F C 2.288 178.132 175.800 0.073 0.000 1.051 401 F CA 2.018 59.980 58.000 -0.064 0.000 1.309 401 F CB -0.498 38.450 39.000 -0.086 0.000 1.056 401 F HN 0.659 nan 8.300 nan 0.000 0.505 402 G N -0.948 108.013 108.800 0.267 0.000 2.679 402 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 402 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 402 G C 1.278 176.146 174.900 -0.052 0.000 1.137 402 G CA 0.248 45.409 45.100 0.102 0.000 0.787 402 G HN 0.358 nan 8.290 nan 0.000 0.534 403 K N 0.322 120.691 120.400 -0.052 0.000 2.699 403 K HA 0.234 4.555 4.320 0.001 0.000 0.210 403 K C -0.174 176.352 176.600 -0.122 0.000 1.076 403 K CA -0.060 56.162 56.287 -0.109 0.000 1.109 403 K CB 0.626 33.087 32.500 -0.065 0.000 0.862 403 K HN 0.090 nan 8.250 nan 0.000 0.470 404 K N 1.127 121.411 120.400 -0.195 0.000 2.435 404 K HA 0.465 4.785 4.320 0.001 0.000 0.251 404 K C -0.561 175.865 176.600 -0.290 0.000 0.954 404 K CA -1.054 55.104 56.287 -0.217 0.000 0.820 404 K CB 2.278 34.639 32.500 -0.232 0.000 1.292 404 K HN -0.117 nan 8.250 nan 0.000 0.436 405 R N 1.930 122.307 120.500 -0.206 0.000 2.574 405 R HA 0.385 4.725 4.340 0.001 0.000 0.288 405 R C -0.562 175.664 176.300 -0.124 0.000 1.004 405 R CA -0.714 55.279 56.100 -0.178 0.000 0.895 405 R CB 1.222 31.443 30.300 -0.131 0.000 1.191 405 R HN 0.563 nan 8.270 nan 0.000 0.444 406 L N 3.504 124.659 121.223 -0.113 0.000 2.389 406 L HA 0.224 4.564 4.340 0.001 0.000 0.265 406 L C -0.116 176.729 176.870 -0.042 0.000 1.167 406 L CA -0.626 54.178 54.840 -0.061 0.000 1.045 406 L CB 0.151 42.186 42.059 -0.039 0.000 1.351 406 L HN 0.277 nan 8.230 nan 0.000 0.419 407 D N 2.370 122.748 120.400 -0.037 0.000 2.533 407 D HA 0.127 4.767 4.640 0.001 0.000 0.236 407 D C 0.013 176.298 176.300 -0.026 0.000 1.137 407 D CA 0.490 54.479 54.000 -0.018 0.000 0.867 407 D CB 1.874 42.667 40.800 -0.011 0.000 1.170 407 D HN 0.142 nan 8.370 nan 0.000 0.474 408 L N 1.452 122.673 121.223 -0.002 0.000 2.267 408 L HA 0.478 4.819 4.340 0.001 0.000 0.264 408 L C 1.578 178.458 176.870 0.017 0.000 1.021 408 L CA -0.454 54.383 54.840 -0.004 0.000 0.861 408 L CB 0.796 42.864 42.059 0.015 0.000 1.443 408 L HN 0.394 nan 8.230 nan 0.000 0.475 409 A N 0.303 123.143 122.820 0.034 0.000 1.954 409 A HA -0.221 4.099 4.320 0.001 0.000 0.222 409 A C 1.768 179.424 177.584 0.119 0.000 1.199 409 A CA 2.514 54.603 52.037 0.087 0.000 0.657 409 A CB -1.676 17.419 19.000 0.159 0.000 0.823 409 A HN 0.913 nan 8.150 nan 0.000 0.463 410 G N -0.549 108.330 108.800 0.132 0.000 2.616 410 G HA2 -0.042 3.918 3.960 0.001 0.000 0.215 410 G HA3 -0.042 3.918 3.960 0.001 0.000 0.215 410 G C -0.263 174.619 174.900 -0.029 0.000 1.284 410 G CA 1.036 46.187 45.100 0.085 0.000 0.823 410 G HN 0.452 nan 8.290 nan 0.000 0.569 411 P HA -0.142 nan 4.420 nan 0.000 0.219 411 P C 1.907 179.266 177.300 0.099 0.000 1.149 411 P CA 0.912 64.068 63.100 0.095 0.000 0.835 411 P CB -0.088 31.662 31.700 0.083 0.000 0.778 412 L N -1.821 119.468 121.223 0.111 0.000 1.973 412 L HA -0.157 4.183 4.340 0.001 0.000 0.208 412 L C 2.444 179.483 176.870 0.281 0.000 1.073 412 L CA 1.425 56.457 54.840 0.321 0.000 0.746 412 L CB -1.077 41.155 42.059 0.289 0.000 0.891 412 L HN -0.066 nan 8.230 nan 0.000 0.433 413 L N -0.419 120.809 121.223 0.008 0.000 2.127 413 L HA -0.221 4.119 4.340 0.001 0.000 0.211 413 L C 2.807 179.548 176.870 -0.216 0.000 1.089 413 L CA 0.925 55.611 54.840 -0.255 0.000 0.757 413 L CB -0.867 40.827 42.059 -0.608 0.000 0.899 413 L HN 0.280 nan 8.230 nan 0.000 0.434 414 A N -0.066 122.640 122.820 -0.190 0.000 1.834 414 A HA -0.332 3.989 4.320 0.001 0.000 0.216 414 A C 2.285 179.990 177.584 0.201 0.000 1.203 414 A CA 2.100 54.271 52.037 0.223 0.000 0.621 414 A CB -0.865 18.284 19.000 0.248 0.000 0.841 414 A HN 0.473 nan 8.150 nan 0.000 0.446 415 Q N -0.659 119.227 119.800 0.143 0.000 2.173 415 Q HA -0.213 4.127 4.340 0.001 0.000 0.208 415 Q C 2.077 178.102 176.000 0.040 0.000 0.989 415 Q CA 1.789 57.659 55.803 0.112 0.000 0.872 415 Q CB -0.235 28.596 28.738 0.154 0.000 0.909 415 Q HN 0.700 nan 8.270 nan 0.000 0.420 416 L N -0.480 120.720 121.223 -0.038 0.000 1.961 416 L HA -0.174 4.166 4.340 0.001 0.000 0.209 416 L C 2.360 179.254 176.870 0.039 0.000 1.075 416 L CA 1.227 55.973 54.840 -0.157 0.000 0.749 416 L CB -0.603 41.215 42.059 -0.403 0.000 0.890 416 L HN 0.288 nan 8.230 nan 0.000 0.433 417 F N 1.008 120.933 119.950 -0.041 0.000 2.141 417 F HA -0.331 4.196 4.527 0.001 0.000 0.300 417 F C 2.508 178.359 175.800 0.085 0.000 1.079 417 F CA 1.741 59.768 58.000 0.045 0.000 1.264 417 F CB -0.378 38.715 39.000 0.155 0.000 1.011 417 F HN -0.025 nan 8.300 nan 0.000 0.487 418 K N -0.833 119.614 120.400 0.079 0.000 2.002 418 K HA -0.142 4.178 4.320 0.001 0.000 0.209 418 K C 1.809 178.388 176.600 -0.035 0.000 1.048 418 K CA 1.948 58.228 56.287 -0.012 0.000 0.930 418 K CB -0.483 32.040 32.500 0.040 0.000 0.714 418 K HN 0.211 nan 8.250 nan 0.000 0.438 419 T N 1.404 115.946 114.554 -0.021 0.000 3.098 419 T HA -0.005 4.345 4.350 0.001 0.000 0.266 419 T C 1.572 176.240 174.700 -0.055 0.000 1.145 419 T CA 0.654 62.728 62.100 -0.043 0.000 1.092 419 T CB 0.064 68.905 68.868 -0.045 0.000 0.908 419 T HN 0.112 nan 8.240 nan 0.000 0.526 420 L N -1.003 120.200 121.223 -0.033 0.000 2.347 420 L HA 0.301 4.642 4.340 0.001 0.000 0.196 420 L C 2.015 178.871 176.870 -0.022 0.000 1.072 420 L CA 0.228 55.061 54.840 -0.013 0.000 0.817 420 L CB -0.441 41.651 42.059 0.056 0.000 1.029 420 L HN 0.104 nan 8.230 nan 0.000 0.478 421 F N 1.756 121.535 119.950 -0.286 0.000 2.287 421 F HA -0.213 4.315 4.527 0.001 0.000 0.301 421 F C 2.128 177.751 175.800 -0.295 0.000 1.069 421 F CA 1.505 59.260 58.000 -0.409 0.000 1.372 421 F CB -0.253 38.235 39.000 -0.853 0.000 1.056 421 F HN -0.087 nan 8.300 nan 0.000 0.523 422 K N -0.156 120.045 120.400 -0.333 0.000 2.186 422 K HA -0.093 4.228 4.320 0.001 0.000 0.202 422 K C 2.101 178.552 176.600 -0.249 0.000 1.052 422 K CA 0.747 56.815 56.287 -0.365 0.000 0.965 422 K CB -0.094 32.271 32.500 -0.224 0.000 0.746 422 K HN 0.180 nan 8.250 nan 0.000 0.457 423 K N 0.845 121.150 120.400 -0.158 0.000 2.217 423 K HA -0.074 4.247 4.320 0.001 0.000 0.202 423 K C 1.921 178.469 176.600 -0.087 0.000 1.051 423 K CA 0.497 56.725 56.287 -0.098 0.000 0.952 423 K CB 0.161 32.625 32.500 -0.060 0.000 0.736 423 K HN -0.021 nan 8.250 nan 0.000 0.453 424 L N 0.690 121.843 121.223 -0.116 0.000 2.095 424 L HA -0.054 4.286 4.340 0.001 0.000 0.204 424 L C 1.956 178.751 176.870 -0.125 0.000 1.080 424 L CA 1.770 56.565 54.840 -0.075 0.000 0.759 424 L CB -0.621 41.426 42.059 -0.019 0.000 0.914 424 L HN 0.048 nan 8.230 nan 0.000 0.439 425 T N 0.390 114.756 114.554 -0.313 0.000 2.720 425 T HA -0.220 4.130 4.350 0.001 0.000 0.268 425 T C 1.266 175.897 174.700 -0.115 0.000 1.037 425 T CA 1.848 63.761 62.100 -0.311 0.000 1.144 425 T CB -0.266 68.266 68.868 -0.560 0.000 0.864 425 T HN 0.479 nan 8.240 nan 0.000 0.444 426 K N 0.639 120.969 120.400 -0.116 0.000 2.862 426 K HA 0.199 4.520 4.320 0.001 0.000 0.229 426 K C 0.446 177.073 176.600 0.046 0.000 1.107 426 K CA 0.129 56.393 56.287 -0.038 0.000 1.222 426 K CB 0.384 32.828 32.500 -0.094 0.000 1.067 426 K HN 0.120 nan 8.250 nan 0.000 0.464 427 D N 0.433 120.872 120.400 0.064 0.000 2.504 427 D HA 0.162 4.802 4.640 0.001 0.000 0.276 427 D C 1.617 178.000 176.300 0.138 0.000 1.073 427 D CA 0.202 54.254 54.000 0.087 0.000 0.905 427 D CB 0.395 41.224 40.800 0.048 0.000 1.350 427 D HN 0.240 nan 8.370 nan 0.000 0.496 428 I N 0.831 121.479 120.570 0.130 0.000 2.454 428 I HA -0.216 3.954 4.170 0.001 0.000 0.254 428 I C 2.110 178.371 176.117 0.241 0.000 1.156 428 I CA 0.735 62.128 61.300 0.154 0.000 1.433 428 I CB -0.128 37.965 38.000 0.156 0.000 1.082 428 I HN -0.065 nan 8.210 nan 0.000 0.432 429 F N 1.678 121.666 119.950 0.064 0.000 2.206 429 F HA -0.066 4.461 4.527 0.001 0.000 0.298 429 F C 2.619 178.461 175.800 0.070 0.000 1.090 429 F CA 1.311 59.346 58.000 0.058 0.000 1.323 429 F CB -0.198 38.817 39.000 0.026 0.000 1.028 429 F HN -0.126 nan 8.300 nan 0.000 0.492 430 R N -1.476 119.148 120.500 0.206 0.000 2.066 430 R HA -0.217 4.124 4.340 0.001 0.000 0.232 430 R C 2.120 178.465 176.300 0.074 0.000 1.131 430 R CA 1.718 57.885 56.100 0.112 0.000 0.955 430 R CB -1.190 29.182 30.300 0.120 0.000 0.851 430 R HN 0.315 nan 8.270 nan 0.000 0.432 431 Y N 1.830 122.133 120.300 0.005 0.000 2.069 431 Y HA -0.325 4.225 4.550 0.001 0.000 0.278 431 Y C 2.373 178.246 175.900 -0.045 0.000 1.175 431 Y CA 2.036 60.132 58.100 -0.008 0.000 1.134 431 Y CB -0.237 38.230 38.460 0.012 0.000 0.965 431 Y HN -0.055 nan 8.280 nan 0.000 0.498 432 M N -0.375 119.275 119.600 0.082 0.000 2.086 432 M HA -0.312 4.169 4.480 0.001 0.000 0.261 432 M C 2.242 178.446 176.300 -0.160 0.000 1.067 432 M CA 2.081 57.348 55.300 -0.056 0.000 1.116 432 M CB -0.564 31.979 32.600 -0.096 0.000 1.348 432 M HN 0.334 nan 8.290 nan 0.000 0.407 433 Q N -0.021 119.665 119.800 -0.190 0.000 2.112 433 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 433 Q C 2.150 178.071 176.000 -0.132 0.000 0.987 433 Q CA 1.552 57.254 55.803 -0.168 0.000 0.858 433 Q CB -0.182 28.470 28.738 -0.142 0.000 0.905 433 Q HN 0.517 nan 8.270 nan 0.000 0.420 434 R N -0.654 119.762 120.500 -0.141 0.000 2.119 434 R HA -0.002 4.339 4.340 0.001 0.000 0.222 434 R C 2.245 178.422 176.300 -0.204 0.000 1.088 434 R CA 1.343 57.354 56.100 -0.150 0.000 0.984 434 R CB -0.051 30.167 30.300 -0.136 0.000 0.884 434 R HN 0.184 nan 8.270 nan 0.000 0.447 435 T N 0.785 115.156 114.554 -0.305 0.000 2.770 435 T HA -0.052 4.298 4.350 0.001 0.000 0.258 435 T C 1.956 176.554 174.700 -0.170 0.000 1.039 435 T CA 1.011 62.928 62.100 -0.306 0.000 1.143 435 T CB -0.088 68.505 68.868 -0.459 0.000 0.866 435 T HN -0.049 nan 8.240 nan 0.000 0.428 436 V N 1.526 121.354 119.914 -0.143 0.000 2.660 436 V HA -0.121 4.000 4.120 0.001 0.000 0.257 436 V C 1.444 177.487 176.094 -0.085 0.000 1.088 436 V CA 1.169 63.411 62.300 -0.097 0.000 1.106 436 V CB -0.743 31.024 31.823 -0.093 0.000 0.686 436 V HN 0.534 nan 8.190 nan 0.000 0.481 447 A N 0.002 122.623 122.820 -0.332 0.000 3.663 447 A HA -0.184 4.136 4.320 0.001 0.000 0.254 447 A C 0.252 177.645 177.584 -0.318 0.000 1.037 447 A CA 1.343 52.959 52.037 -0.701 0.000 1.450 447 A CB -2.171 15.789 19.000 -1.733 0.000 1.014 447 A HN 0.538 nan 8.150 nan 0.000 0.865 448 I N 1.440 121.926 120.570 -0.140 0.000 2.361 448 I HA 0.209 4.379 4.170 0.001 0.000 0.282 448 I C 0.352 176.488 176.117 0.032 0.000 1.075 448 I CA -0.373 60.912 61.300 -0.025 0.000 1.205 448 I CB 0.792 38.811 38.000 0.031 0.000 1.406 448 I HN 0.372 nan 8.210 nan 0.000 0.481 449 N N 5.038 123.758 118.700 0.033 0.000 2.819 449 N HA 0.148 4.889 4.740 0.001 0.000 0.284 449 N C 1.230 176.784 175.510 0.074 0.000 1.196 449 N CA -0.029 53.060 53.050 0.064 0.000 1.114 449 N CB 0.646 39.167 38.487 0.056 0.000 1.437 449 N HN 0.681 nan 8.380 nan 0.000 0.518 450 A N 2.417 125.292 122.820 0.092 0.000 2.265 450 A HA -0.132 4.189 4.320 0.001 0.000 0.203 450 A C 1.964 179.581 177.584 0.055 0.000 1.285 450 A CA 0.709 52.751 52.037 0.009 0.000 0.839 450 A CB -0.452 18.442 19.000 -0.176 0.000 0.758 450 A HN 0.691 nan 8.150 nan 0.000 0.502 451 K N -1.033 119.426 120.400 0.099 0.000 2.323 451 K HA -0.026 4.294 4.320 0.001 0.000 0.197 451 K C 1.573 178.215 176.600 0.070 0.000 1.043 451 K CA 1.115 57.464 56.287 0.102 0.000 0.997 451 K CB -0.055 32.506 32.500 0.101 0.000 0.807 451 K HN 0.385 nan 8.250 nan 0.000 0.497 452 T N 2.025 116.613 114.554 0.057 0.000 2.622 452 T HA -0.162 4.188 4.350 0.001 0.000 0.266 452 T C 1.830 176.560 174.700 0.049 0.000 1.047 452 T CA 1.822 63.949 62.100 0.045 0.000 1.159 452 T CB -0.190 68.701 68.868 0.039 0.000 0.863 452 T HN 0.163 nan 8.240 nan 0.000 0.422 453 I N 1.182 121.792 120.570 0.067 0.000 2.090 453 I HA -0.186 3.984 4.170 0.001 0.000 0.236 453 I C 2.799 178.952 176.117 0.059 0.000 1.064 453 I CA 1.315 62.673 61.300 0.097 0.000 1.324 453 I CB -1.241 36.854 38.000 0.159 0.000 1.044 453 I HN 0.242 nan 8.210 nan 0.000 0.399 454 T N 0.933 115.514 114.554 0.044 0.000 2.653 454 T HA -0.264 4.086 4.350 0.001 0.000 0.267 454 T C 2.053 176.787 174.700 0.057 0.000 1.037 454 T CA 2.365 64.497 62.100 0.053 0.000 1.159 454 T CB -0.558 68.365 68.868 0.092 0.000 0.859 454 T HN 0.606 nan 8.240 nan 0.000 0.449 455 S N 1.299 117.036 115.700 0.062 0.000 2.335 455 S HA 0.051 4.522 4.470 0.001 0.000 0.217 455 S C 2.461 177.102 174.600 0.069 0.000 1.032 455 S CA 1.089 59.330 58.200 0.068 0.000 0.985 455 S CB -1.350 61.893 63.200 0.072 0.000 0.896 455 S HN 0.538 nan 8.310 nan 0.000 0.445 456 G N 2.436 111.259 108.800 0.038 0.000 2.513 456 G HA2 -0.193 3.767 3.960 0.001 0.000 0.219 456 G HA3 -0.193 3.767 3.960 0.001 0.000 0.219 456 G C 1.480 176.366 174.900 -0.022 0.000 1.160 456 G CA 1.223 46.320 45.100 -0.005 0.000 0.767 456 G HN 0.473 nan 8.290 nan 0.000 0.571 457 L N -0.178 121.027 121.223 -0.030 0.000 2.043 457 L HA -0.141 4.199 4.340 0.001 0.000 0.212 457 L C 3.070 179.913 176.870 -0.045 0.000 1.075 457 L CA 1.609 56.402 54.840 -0.079 0.000 0.752 457 L CB -0.335 41.698 42.059 -0.044 0.000 0.891 457 L HN 0.259 nan 8.230 nan 0.000 0.432 458 K N -0.829 119.584 120.400 0.021 0.000 1.973 458 K HA -0.256 4.065 4.320 0.001 0.000 0.212 458 K C 2.076 178.719 176.600 0.071 0.000 1.047 458 K CA 1.946 58.257 56.287 0.039 0.000 0.937 458 K CB -0.565 31.966 32.500 0.052 0.000 0.721 458 K HN 0.145 nan 8.250 nan 0.000 0.440 459 Y N 1.406 121.690 120.300 -0.027 0.000 2.062 459 Y HA -0.424 4.126 4.550 0.001 0.000 0.273 459 Y C 2.136 178.031 175.900 -0.007 0.000 1.206 459 Y CA 1.883 59.974 58.100 -0.015 0.000 1.125 459 Y CB -0.295 38.151 38.460 -0.022 0.000 0.951 459 Y HN 0.192 nan 8.280 nan 0.000 0.501 460 A N 0.165 123.154 122.820 0.282 0.000 1.829 460 A HA -0.220 4.100 4.320 0.001 0.000 0.216 460 A C 1.841 179.591 177.584 0.275 0.000 1.207 460 A CA 2.005 54.155 52.037 0.189 0.000 0.622 460 A CB -1.296 17.476 19.000 -0.380 0.000 0.846 460 A HN 0.440 nan 8.150 nan 0.000 0.447 461 L N -0.368 120.944 121.223 0.148 0.000 2.642 461 L HA -0.020 4.320 4.340 0.001 0.000 0.236 461 L C 2.360 179.255 176.870 0.041 0.000 1.169 461 L CA 1.208 56.105 54.840 0.095 0.000 0.851 461 L CB -0.607 41.377 42.059 -0.125 0.000 0.968 461 L HN 0.473 nan 8.230 nan 0.000 0.453 462 A N -2.147 120.693 122.820 0.034 0.000 1.993 462 A HA 0.077 4.398 4.320 0.001 0.000 0.207 462 A C 2.097 179.648 177.584 -0.054 0.000 1.224 462 A CA 1.116 53.136 52.037 -0.028 0.000 0.749 462 A CB -0.088 18.865 19.000 -0.078 0.000 0.884 462 A HN 0.359 nan 8.150 nan 0.000 0.467 463 T N -2.360 112.165 114.554 -0.048 0.000 3.082 463 T HA 0.452 4.802 4.350 0.001 0.000 0.235 463 T C 1.494 176.220 174.700 0.044 0.000 0.991 463 T CA 1.116 63.188 62.100 -0.046 0.000 1.220 463 T CB 0.181 68.986 68.868 -0.106 0.000 0.909 463 T HN 1.232 nan 8.240 nan 0.000 0.424 464 G N 1.381 110.266 108.800 0.142 0.000 2.738 464 G HA2 -0.131 3.829 3.960 0.001 0.000 0.195 464 G HA3 -0.131 3.829 3.960 0.001 0.000 0.195 464 G C -0.142 174.893 174.900 0.224 0.000 1.001 464 G CA -0.665 44.510 45.100 0.125 0.000 0.759 464 G HN 0.474 nan 8.290 nan 0.000 0.494 465 N N 1.324 120.196 118.700 0.287 0.000 2.466 465 N HA 0.131 4.871 4.740 0.001 0.000 0.263 465 N C 0.947 176.702 175.510 0.408 0.000 1.178 465 N CA -0.462 52.779 53.050 0.318 0.000 0.983 465 N CB 0.589 39.291 38.487 0.357 0.000 1.331 465 N HN 0.494 nan 8.380 nan 0.000 0.500 466 W N 2.523 123.850 121.300 0.045 0.000 2.119 466 W HA -0.153 4.507 4.660 0.001 0.000 0.314 466 W C 1.707 178.224 176.519 -0.003 0.000 1.154 466 W CA 0.481 57.837 57.345 0.017 0.000 1.103 466 W CB -0.229 29.230 29.460 -0.001 0.000 1.165 466 W HN 0.482 nan 8.180 nan 0.000 0.469 467 G N 2.268 111.150 108.800 0.137 0.000 2.676 467 G HA2 -0.097 3.863 3.960 0.001 0.000 0.245 467 G HA3 -0.097 3.863 3.960 0.001 0.000 0.245 467 G C -0.060 174.776 174.900 -0.106 0.000 0.715 467 G CA 1.236 46.328 45.100 -0.013 0.000 1.912 467 G HN 0.571 nan 8.290 nan 0.000 0.565 468 E N -1.712 118.362 120.200 -0.210 0.000 3.295 468 E HA -0.298 4.052 4.350 0.001 0.000 0.276 468 E C 1.081 177.375 176.600 -0.511 0.000 1.444 468 E CA 1.787 57.992 56.400 -0.326 0.000 1.960 468 E CB -0.717 28.852 29.700 -0.218 0.000 1.995 468 E HN 0.602 nan 8.360 nan 0.000 0.507 469 Q N 0.311 119.849 119.800 -0.436 0.000 2.784 469 Q HA 0.474 4.815 4.340 0.001 0.000 0.207 469 Q C -0.420 175.486 176.000 -0.156 0.000 1.021 469 Q CA -0.607 54.959 55.803 -0.394 0.000 0.417 469 Q CB 0.409 28.898 28.738 -0.414 0.000 4.567 469 Q HN 0.378 nan 8.270 nan 0.000 0.306 470 K N 0.432 120.769 120.400 -0.105 0.000 1.662 470 K HA -0.203 4.117 4.320 0.001 0.000 0.637 470 K C -0.818 175.769 176.600 -0.022 0.000 1.779 470 K CA 1.036 57.293 56.287 -0.050 0.000 1.097 470 K CB -0.326 32.144 32.500 -0.050 0.000 1.876 470 K HN 0.283 nan 8.250 nan 0.000 0.629 471 K N 1.072 121.466 120.400 -0.010 0.000 2.989 471 K HA 0.269 4.590 4.320 0.001 0.000 0.264 471 K C -0.432 176.169 176.600 0.001 0.000 1.228 471 K CA 0.312 56.600 56.287 0.001 0.000 1.186 471 K CB 0.036 32.538 32.500 0.003 0.000 1.409 471 K HN 0.441 nan 8.250 nan 0.000 0.271 472 A N 0.876 123.696 122.820 0.001 0.000 2.577 472 A HA 0.357 4.678 4.320 0.001 0.000 0.297 472 A C 0.092 177.686 177.584 0.017 0.000 1.060 472 A CA -0.756 51.284 52.037 0.005 0.000 0.697 472 A CB 0.981 19.979 19.000 -0.004 0.000 1.281 472 A HN 0.373 nan 8.150 nan 0.000 0.402 473 M N 1.815 121.430 119.600 0.025 0.000 2.495 473 M HA -0.005 4.475 4.480 0.001 0.000 0.237 473 M C 1.989 178.313 176.300 0.039 0.000 1.131 473 M CA 0.847 56.170 55.300 0.038 0.000 1.032 473 M CB -0.319 32.302 32.600 0.034 0.000 1.513 473 M HN 1.049 nan 8.290 nan 0.000 0.488 474 S N 0.624 116.340 115.700 0.027 0.000 2.642 474 S HA -0.288 4.182 4.470 0.001 0.000 0.330 474 S C 1.276 175.904 174.600 0.047 0.000 1.309 474 S CA 2.043 60.259 58.200 0.027 0.000 1.141 474 S CB -1.557 61.649 63.200 0.011 0.000 1.210 474 S HN 0.689 nan 8.310 nan 0.000 0.440 475 S N 2.746 118.488 115.700 0.070 0.000 2.632 475 S HA 0.482 4.953 4.470 0.001 0.000 0.267 475 S C 0.111 174.766 174.600 0.092 0.000 1.193 475 S CA -1.021 57.245 58.200 0.111 0.000 1.003 475 S CB 0.343 63.655 63.200 0.187 0.000 1.073 475 S HN 0.777 nan 8.310 nan 0.000 0.553 476 R N 0.266 120.826 120.500 0.100 0.000 2.272 476 R HA 0.675 5.015 4.340 0.001 0.000 0.323 476 R C -0.390 175.936 176.300 0.043 0.000 1.002 476 R CA -0.581 55.548 56.100 0.048 0.000 0.900 476 R CB 0.479 30.786 30.300 0.013 0.000 1.151 476 R HN 0.652 nan 8.270 nan 0.000 0.507 477 A N 2.074 124.924 122.820 0.049 0.000 2.488 477 A HA 0.507 4.827 4.320 0.001 0.000 0.249 477 A C 1.197 178.779 177.584 -0.003 0.000 1.083 477 A CA 0.725 52.790 52.037 0.046 0.000 0.768 477 A CB 0.186 19.217 19.000 0.052 0.000 1.017 477 A HN 1.038 nan 8.150 nan 0.000 0.496 478 G N 1.171 109.955 108.800 -0.027 0.000 3.967 478 G HA2 -0.002 3.958 3.960 0.001 0.000 0.210 478 G HA3 -0.002 3.958 3.960 0.001 0.000 0.210 478 G C 0.175 175.003 174.900 -0.119 0.000 1.127 478 G CA 0.008 45.073 45.100 -0.060 0.000 0.887 478 G HN 1.271 nan 8.290 nan 0.000 0.367 479 V N 2.092 121.871 119.914 -0.224 0.000 2.928 479 V HA 0.363 4.483 4.120 0.001 0.000 0.307 479 V C 1.269 177.191 176.094 -0.286 0.000 1.105 479 V CA 1.197 63.257 62.300 -0.399 0.000 1.223 479 V CB 0.853 32.139 31.823 -0.896 0.000 0.930 479 V HN 2.115 nan 8.190 nan 0.000 0.499 480 S N 2.637 118.183 115.700 -0.257 0.000 3.516 480 S HA -0.142 4.328 4.470 0.001 0.000 0.562 480 S C -0.359 174.198 174.600 -0.071 0.000 0.655 480 S CA 1.031 59.149 58.200 -0.135 0.000 1.400 480 S CB -0.673 62.497 63.200 -0.050 0.000 0.946 480 S HN 0.919 nan 8.310 nan 0.000 0.871 481 Q N 2.065 121.821 119.800 -0.073 0.000 3.106 481 Q HA 0.792 5.132 4.340 0.001 0.000 0.247 481 Q C -0.592 175.390 176.000 -0.030 0.000 1.033 481 Q CA -1.121 54.668 55.803 -0.024 0.000 0.888 481 Q CB 1.001 29.762 28.738 0.039 0.000 1.586 481 Q HN 0.450 nan 8.270 nan 0.000 0.482 482 V N 1.998 121.923 119.914 0.018 0.000 2.313 482 V HA 0.155 4.276 4.120 0.001 0.000 0.278 482 V C -0.441 175.665 176.094 0.020 0.000 1.017 482 V CA -0.651 61.644 62.300 -0.008 0.000 0.823 482 V CB 0.886 32.702 31.823 -0.011 0.000 1.010 482 V HN 0.515 nan 8.190 nan 0.000 0.443 483 L N 5.453 126.614 121.223 -0.104 0.000 2.769 483 L HA -0.080 4.260 4.340 0.001 0.000 0.293 483 L C 0.488 177.364 176.870 0.009 0.000 1.224 483 L CA 0.964 55.740 54.840 -0.106 0.000 0.906 483 L CB -0.039 41.810 42.059 -0.349 0.000 1.193 483 L HN 0.634 nan 8.230 nan 0.000 0.488 484 N N 4.422 123.230 118.700 0.180 0.000 2.399 484 N HA 0.153 4.893 4.740 0.001 0.000 0.259 484 N C -0.052 175.419 175.510 -0.065 0.000 1.160 484 N CA -0.064 52.996 53.050 0.016 0.000 0.946 484 N CB 0.448 38.914 38.487 -0.035 0.000 1.156 484 N HN 0.359 nan 8.380 nan 0.000 0.489 485 R N 1.980 122.371 120.500 -0.182 0.000 3.534 485 R HA 0.177 4.518 4.340 0.001 0.000 0.312 485 R C 0.408 176.455 176.300 -0.421 0.000 1.419 485 R CA -0.307 55.573 56.100 -0.368 0.000 1.262 485 R CB -0.694 29.197 30.300 -0.682 0.000 1.437 485 R HN 0.566 nan 8.270 nan 0.000 0.627 486 Y N -1.199 118.991 120.300 -0.184 0.000 2.163 486 Y HA 0.166 4.717 4.550 0.001 0.000 0.288 486 Y C 0.430 176.363 175.900 0.055 0.000 1.112 486 Y CA 1.178 59.219 58.100 -0.098 0.000 1.104 486 Y CB 0.753 39.162 38.460 -0.084 0.000 1.016 486 Y HN -0.038 nan 8.280 nan 0.000 0.497 487 T N -0.846 113.858 114.554 0.250 0.000 2.909 487 T HA 0.126 4.477 4.350 0.001 0.000 0.299 487 T C -0.327 174.520 174.700 0.245 0.000 1.073 487 T CA -0.600 61.658 62.100 0.263 0.000 0.999 487 T CB 1.348 70.382 68.868 0.277 0.000 1.098 487 T HN 0.180 nan 8.240 nan 0.000 0.477 488 Y N 3.012 123.394 120.300 0.138 0.000 2.002 488 Y HA -0.295 4.255 4.550 0.001 0.000 0.268 488 Y C 2.793 178.754 175.900 0.103 0.000 1.177 488 Y CA 2.919 61.080 58.100 0.100 0.000 1.111 488 Y CB -0.727 37.746 38.460 0.022 0.000 0.952 488 Y HN 0.748 nan 8.280 nan 0.000 0.491 489 S N -1.460 114.342 115.700 0.170 0.000 2.423 489 S HA -0.293 4.177 4.470 0.001 0.000 0.238 489 S C 2.241 176.829 174.600 -0.021 0.000 1.028 489 S CA 1.594 59.837 58.200 0.072 0.000 1.000 489 S CB -1.125 62.185 63.200 0.184 0.000 0.797 489 S HN 0.546 nan 8.310 nan 0.000 0.487 490 S N 1.398 117.107 115.700 0.014 0.000 2.345 490 S HA -0.095 4.376 4.470 0.001 0.000 0.219 490 S C 2.002 176.577 174.600 -0.041 0.000 1.031 490 S CA 1.645 59.839 58.200 -0.010 0.000 0.984 490 S CB -1.282 61.940 63.200 0.036 0.000 0.874 490 S HN 0.684 nan 8.310 nan 0.000 0.451 491 T N 3.671 118.184 114.554 -0.067 0.000 2.653 491 T HA -0.117 4.234 4.350 0.001 0.000 0.268 491 T C 1.737 176.365 174.700 -0.121 0.000 1.035 491 T CA 1.759 63.806 62.100 -0.088 0.000 1.154 491 T CB -0.633 68.153 68.868 -0.136 0.000 0.862 491 T HN 0.314 nan 8.240 nan 0.000 0.441 492 L N 0.626 121.702 121.223 -0.245 0.000 1.955 492 L HA -0.168 4.173 4.340 0.001 0.000 0.213 492 L C 2.911 179.724 176.870 -0.095 0.000 1.072 492 L CA 1.604 56.317 54.840 -0.211 0.000 0.755 492 L CB -1.043 40.856 42.059 -0.266 0.000 0.888 492 L HN 0.281 nan 8.230 nan 0.000 0.432 493 S N -1.123 114.531 115.700 -0.076 0.000 2.381 493 S HA -0.349 4.122 4.470 0.001 0.000 0.230 493 S C 2.007 176.621 174.600 0.023 0.000 1.052 493 S CA 1.892 60.068 58.200 -0.039 0.000 1.068 493 S CB -0.550 62.620 63.200 -0.050 0.000 0.918 493 S HN 0.518 nan 8.310 nan 0.000 0.448 494 H N -0.340 118.679 119.070 -0.086 0.000 2.489 494 H HA 0.021 4.577 4.556 0.001 0.000 0.293 494 H C 1.870 177.161 175.328 -0.062 0.000 1.066 494 H CA 1.268 57.271 56.048 -0.076 0.000 1.305 494 H CB 0.005 29.717 29.762 -0.083 0.000 1.386 494 H HN 0.371 nan 8.280 nan 0.000 0.551 495 L N -0.155 121.079 121.223 0.017 0.000 2.270 495 L HA -0.004 4.337 4.340 0.001 0.000 0.210 495 L C 1.536 178.390 176.870 -0.028 0.000 1.104 495 L CA 0.591 55.407 54.840 -0.040 0.000 0.804 495 L CB 0.093 42.135 42.059 -0.029 0.000 0.937 495 L HN 0.152 nan 8.230 nan 0.000 0.450 496 R N 0.210 120.699 120.500 -0.020 0.000 2.568 496 R HA 0.143 4.484 4.340 0.001 0.000 0.288 496 R C 0.319 176.611 176.300 -0.013 0.000 1.077 496 R CA -0.207 55.878 56.100 -0.024 0.000 1.102 496 R CB -0.057 30.221 30.300 -0.037 0.000 1.278 496 R HN 0.144 nan 8.270 nan 0.000 0.560 497 R N 0.631 121.133 120.500 0.004 0.000 2.410 497 R HA 0.193 4.533 4.340 0.001 0.000 0.288 497 R C -0.556 175.742 176.300 -0.003 0.000 1.051 497 R CA 0.125 56.233 56.100 0.013 0.000 1.021 497 R CB 1.146 31.493 30.300 0.078 0.000 1.032 497 R HN -0.129 nan 8.270 nan 0.000 0.481 498 T N 2.141 116.691 114.554 -0.007 0.000 2.950 498 T HA 0.396 4.746 4.350 0.001 0.000 0.288 498 T C -1.001 173.692 174.700 -0.013 0.000 1.035 498 T CA -0.630 61.468 62.100 -0.004 0.000 1.028 498 T CB 1.331 70.210 68.868 0.019 0.000 1.109 498 T HN 0.673 nan 8.240 nan 0.000 0.514 499 N N -0.628 118.063 118.700 -0.014 0.000 2.647 499 N HA 0.657 5.398 4.740 0.001 0.000 0.266 499 N C -1.912 173.592 175.510 -0.010 0.000 1.373 499 N CA -0.468 52.568 53.050 -0.023 0.000 0.807 499 N CB 2.295 40.754 38.487 -0.047 0.000 1.513 499 N HN 0.484 nan 8.380 nan 0.000 0.505 500 T N 1.621 116.168 114.554 -0.012 0.000 3.172 500 T HA 0.437 4.787 4.350 0.001 0.000 0.320 500 T C -2.920 171.774 174.700 -0.009 0.000 1.085 500 T CA -0.657 61.442 62.100 -0.001 0.000 1.052 500 T CB 1.902 70.780 68.868 0.018 0.000 1.107 500 T HN 0.415 nan 8.240 nan 0.000 0.458 501 P HA 0.488 nan 4.420 nan 0.000 0.282 501 P C -0.913 176.383 177.300 -0.008 0.000 1.262 501 P CA -0.518 62.575 63.100 -0.012 0.000 0.773 501 P CB 0.511 32.204 31.700 -0.012 0.000 0.879 511 P HA -0.038 nan 4.420 nan 0.000 0.213 511 P C 1.146 178.484 177.300 0.063 0.000 1.170 511 P CA 1.445 64.573 63.100 0.047 0.000 0.898 511 P CB -0.069 31.646 31.700 0.025 0.000 0.787 512 R N -0.829 119.692 120.500 0.034 0.000 2.091 512 R HA -0.107 4.233 4.340 0.001 0.000 0.238 512 R C 1.302 177.622 176.300 0.034 0.000 1.136 512 R CA 0.766 56.879 56.100 0.022 0.000 0.959 512 R CB -0.875 29.429 30.300 0.007 0.000 0.856 512 R HN 0.269 nan 8.270 nan 0.000 0.437 513 Q N 0.538 120.368 119.800 0.050 0.000 2.498 513 Q HA -0.057 4.283 4.340 0.001 0.000 0.299 513 Q C -0.775 175.287 176.000 0.103 0.000 1.178 513 Q CA 0.494 56.334 55.803 0.061 0.000 0.997 513 Q CB 0.279 29.058 28.738 0.067 0.000 1.306 513 Q HN 0.054 nan 8.270 nan 0.000 0.468 514 L N 2.142 123.420 121.223 0.092 0.000 2.265 514 L HA 0.320 4.660 4.340 0.001 0.000 0.289 514 L C -1.123 175.863 176.870 0.192 0.000 1.033 514 L CA -0.145 54.784 54.840 0.148 0.000 0.814 514 L CB 0.687 42.778 42.059 0.054 0.000 1.203 514 L HN 0.662 nan 8.230 nan 0.000 0.423 515 H N 2.879 122.109 119.070 0.267 0.000 2.482 515 H HA 0.367 4.924 4.556 0.001 0.000 0.344 515 H C 0.997 176.305 175.328 -0.032 0.000 1.151 515 H CA 0.467 56.495 56.048 -0.032 0.000 1.300 515 H CB 1.080 30.631 29.762 -0.352 0.000 1.494 515 H HN 0.780 nan 8.280 nan 0.000 0.542 516 N N 0.593 119.063 118.700 -0.382 0.000 2.120 516 N HA -0.200 4.540 4.740 0.001 0.000 0.188 516 N C 1.464 177.020 175.510 0.077 0.000 1.024 516 N CA 1.571 54.552 53.050 -0.115 0.000 0.852 516 N CB -0.088 38.267 38.487 -0.220 0.000 1.003 516 N HN 0.722 nan 8.380 nan 0.000 0.424 517 T N -0.788 113.868 114.554 0.170 0.000 2.897 517 T HA -0.172 4.179 4.350 0.001 0.000 0.271 517 T C 1.522 176.278 174.700 0.094 0.000 1.084 517 T CA 1.078 63.231 62.100 0.087 0.000 1.123 517 T CB -0.461 68.365 68.868 -0.070 0.000 0.865 517 T HN 0.272 nan 8.240 nan 0.000 0.496 518 H N -0.418 118.667 119.070 0.025 0.000 2.489 518 H HA 0.049 4.605 4.556 0.001 0.000 0.293 518 H C 0.999 176.307 175.328 -0.033 0.000 1.066 518 H CA 0.379 56.306 56.048 -0.202 0.000 1.305 518 H CB -0.616 29.006 29.762 -0.234 0.000 1.386 518 H HN 0.575 nan 8.280 nan 0.000 0.551 519 W N 2.228 123.558 121.300 0.050 0.000 2.409 519 W HA 0.061 4.722 4.660 0.001 0.000 0.338 519 W C 1.118 177.663 176.519 0.043 0.000 1.273 519 W CA 1.843 59.207 57.345 0.032 0.000 1.299 519 W CB -0.017 29.451 29.460 0.013 0.000 1.192 519 W HN 0.517 nan 8.180 nan 0.000 0.565 520 G N 4.101 112.537 108.800 -0.607 0.000 2.435 520 G HA2 -0.380 3.580 3.960 0.001 0.000 0.245 520 G HA3 -0.380 3.580 3.960 0.001 0.000 0.245 520 G C 0.981 175.827 174.900 -0.090 0.000 1.073 520 G CA 0.759 45.644 45.100 -0.358 0.000 0.638 520 G HN 0.582 nan 8.290 nan 0.000 0.521 521 L N -0.192 121.043 121.223 0.018 0.000 2.168 521 L HA 0.328 4.668 4.340 0.001 0.000 0.203 521 L C 1.164 178.041 176.870 0.012 0.000 1.078 521 L CA 0.773 55.665 54.840 0.088 0.000 0.780 521 L CB -0.175 42.064 42.059 0.300 0.000 0.939 521 L HN 0.200 nan 8.230 nan 0.000 0.451 522 V N -0.925 118.936 119.914 -0.089 0.000 2.815 522 V HA 0.209 4.329 4.120 0.001 0.000 0.314 522 V C -0.345 175.643 176.094 -0.177 0.000 1.064 522 V CA -1.182 61.020 62.300 -0.162 0.000 0.952 522 V CB 2.690 34.305 31.823 -0.347 0.000 1.020 522 V HN 0.219 nan 8.190 nan 0.000 0.439 523 C N 6.208 125.416 119.300 -0.154 0.000 2.593 523 C HA 0.366 4.827 4.460 0.001 0.000 0.409 523 C C -0.230 174.673 174.990 -0.145 0.000 1.304 523 C CA -0.887 58.048 59.018 -0.138 0.000 2.007 523 C CB 0.615 28.293 27.740 -0.103 0.000 2.614 523 C HN 0.859 nan 8.230 nan 0.000 0.585 524 P HA 0.047 nan 4.420 nan 0.000 0.221 524 P C 0.798 178.059 177.300 -0.064 0.000 1.155 524 P CA 1.707 64.755 63.100 -0.087 0.000 0.812 524 P CB 0.192 31.860 31.700 -0.054 0.000 0.801 525 A N 0.024 122.810 122.820 -0.057 0.000 2.140 525 A HA 0.062 4.383 4.320 0.001 0.000 0.209 525 A C 1.309 178.874 177.584 -0.032 0.000 1.181 525 A CA -0.066 51.949 52.037 -0.037 0.000 0.824 525 A CB -0.541 18.441 19.000 -0.030 0.000 0.879 525 A HN 0.201 nan 8.150 nan 0.000 0.480 526 E N 1.164 121.333 120.200 -0.051 0.000 2.003 526 E HA 0.360 4.710 4.350 0.001 0.000 0.279 526 E C -0.812 175.755 176.600 -0.056 0.000 1.132 526 E CA 0.095 56.466 56.400 -0.048 0.000 0.888 526 E CB 0.074 29.739 29.700 -0.059 0.000 1.056 526 E HN 0.145 nan 8.360 nan 0.000 0.399 527 T N 4.660 119.190 114.554 -0.039 0.000 3.012 527 T HA 0.336 4.687 4.350 0.001 0.000 0.330 527 T C -2.815 171.863 174.700 -0.036 0.000 1.321 527 T CA -1.494 60.577 62.100 -0.047 0.000 1.067 527 T CB 1.498 70.335 68.868 -0.052 0.000 1.235 527 T HN 0.340 nan 8.240 nan 0.000 0.479 528 P HA 0.212 nan 4.420 nan 0.000 0.267 528 P C -0.574 176.694 177.300 -0.053 0.000 1.200 528 P CA -0.064 62.999 63.100 -0.061 0.000 0.772 528 P CB 0.627 32.286 31.700 -0.067 0.000 0.855 529 E N 0.669 120.823 120.200 -0.078 0.000 2.313 529 E HA 0.406 4.756 4.350 0.001 0.000 0.272 529 E C 0.957 177.515 176.600 -0.070 0.000 1.038 529 E CA -0.395 55.958 56.400 -0.079 0.000 0.863 529 E CB 0.398 30.001 29.700 -0.162 0.000 1.060 529 E HN 0.738 nan 8.360 nan 0.000 0.402 530 G N 1.993 110.763 108.800 -0.050 0.000 2.622 530 G HA2 -0.442 3.519 3.960 0.001 0.000 0.272 530 G HA3 -0.442 3.519 3.960 0.001 0.000 0.272 530 G C 0.539 175.414 174.900 -0.043 0.000 1.308 530 G CA 0.713 45.786 45.100 -0.045 0.000 0.919 530 G HN 0.945 nan 8.290 nan 0.000 0.565 531 Q N -2.822 116.953 119.800 -0.041 0.000 2.534 531 Q HA -0.311 4.029 4.340 0.001 0.000 0.448 531 Q C 1.583 177.563 176.000 -0.033 0.000 0.528 531 Q CA 2.892 58.673 55.803 -0.038 0.000 1.003 531 Q CB -1.744 26.967 28.738 -0.044 0.000 1.969 531 Q HN 2.505 nan 8.270 nan 0.000 1.037 532 A N 0.850 123.648 122.820 -0.036 0.000 3.215 532 A HA 0.465 4.786 4.320 0.001 0.000 0.269 532 A C -0.103 177.460 177.584 -0.035 0.000 1.517 532 A CA 0.017 52.034 52.037 -0.033 0.000 1.221 532 A CB -0.148 18.832 19.000 -0.035 0.000 1.160 532 A HN 0.517 nan 8.150 nan 0.000 0.620 533 C N 0.460 119.742 119.300 -0.030 0.000 2.388 533 C HA 0.599 5.059 4.460 0.001 0.000 0.362 533 C C 1.687 176.662 174.990 -0.026 0.000 1.266 533 C CA 1.110 60.110 59.018 -0.029 0.000 2.028 533 C CB -0.626 27.101 27.740 -0.021 0.000 2.440 533 C HN 1.803 nan 8.230 nan 0.000 0.547 534 G N 4.540 113.319 108.800 -0.036 0.000 2.184 534 G HA2 -0.262 3.699 3.960 0.001 0.000 0.264 534 G HA3 -0.262 3.699 3.960 0.001 0.000 0.264 534 G C 0.512 175.390 174.900 -0.037 0.000 0.975 534 G CA 0.796 45.871 45.100 -0.042 0.000 0.642 534 G HN 0.758 nan 8.290 nan 0.000 0.536 535 L N -0.447 120.758 121.223 -0.030 0.000 2.253 535 L HA 0.324 4.664 4.340 0.001 0.000 0.205 535 L C 1.245 178.098 176.870 -0.027 0.000 1.078 535 L CA 0.425 55.253 54.840 -0.019 0.000 0.805 535 L CB 0.352 42.400 42.059 -0.017 0.000 0.963 535 L HN 0.130 nan 8.230 nan 0.000 0.459 536 V N 1.393 121.283 119.914 -0.040 0.000 2.383 536 V HA 0.214 4.334 4.120 0.001 0.000 0.275 536 V C -0.217 175.840 176.094 -0.062 0.000 1.036 536 V CA -0.368 61.907 62.300 -0.043 0.000 0.889 536 V CB 1.198 32.995 31.823 -0.044 0.000 0.985 536 V HN 0.180 nan 8.190 nan 0.000 0.459 537 K N 3.997 124.360 120.400 -0.062 0.000 2.350 537 K HA 0.603 4.923 4.320 0.001 0.000 0.241 537 K C -1.006 175.555 176.600 -0.066 0.000 0.994 537 K CA -1.042 55.189 56.287 -0.094 0.000 0.839 537 K CB 1.878 34.290 32.500 -0.146 0.000 1.244 537 K HN 0.475 nan 8.250 nan 0.000 0.443 538 N N 1.494 120.145 118.700 -0.081 0.000 2.296 538 N HA 0.321 5.061 4.740 0.001 0.000 0.294 538 N C -0.774 174.700 175.510 -0.061 0.000 1.033 538 N CA -0.577 52.439 53.050 -0.058 0.000 0.839 538 N CB 1.566 40.019 38.487 -0.057 0.000 1.395 538 N HN 0.368 nan 8.380 nan 0.000 0.479 539 L N 1.291 122.493 121.223 -0.036 0.000 2.485 539 L HA 0.086 4.427 4.340 0.001 0.000 0.275 539 L C 1.438 178.284 176.870 -0.040 0.000 1.207 539 L CA 0.215 55.038 54.840 -0.027 0.000 0.855 539 L CB 0.173 42.221 42.059 -0.019 0.000 1.114 539 L HN 0.423 nan 8.230 nan 0.000 0.485 540 S N 1.691 117.367 115.700 -0.040 0.000 2.647 540 S HA 0.133 4.603 4.470 0.001 0.000 0.251 540 S C 1.294 175.896 174.600 0.003 0.000 1.320 540 S CA -0.464 57.712 58.200 -0.039 0.000 0.968 540 S CB 0.395 63.560 63.200 -0.059 0.000 1.005 540 S HN 0.472 nan 8.310 nan 0.000 0.576 541 L N 0.241 121.493 121.223 0.048 0.000 2.084 541 L HA -0.006 4.334 4.340 0.001 0.000 0.202 541 L C 2.394 179.391 176.870 0.211 0.000 1.074 541 L CA 0.813 55.737 54.840 0.142 0.000 0.757 541 L CB -0.344 41.852 42.059 0.229 0.000 0.918 541 L HN 0.531 nan 8.230 nan 0.000 0.444 542 M N 0.082 119.800 119.600 0.196 0.000 2.296 542 M HA -0.022 4.458 4.480 0.001 0.000 0.265 542 M C 1.359 177.796 176.300 0.227 0.000 1.064 542 M CA 0.565 56.062 55.300 0.329 0.000 1.109 542 M CB -1.140 31.543 32.600 0.139 0.000 1.396 542 M HN 0.249 nan 8.290 nan 0.000 0.430 543 S N 0.258 115.996 115.700 0.062 0.000 2.568 543 S HA 0.257 4.728 4.470 0.001 0.000 0.282 543 S C 0.190 174.697 174.600 -0.155 0.000 1.338 543 S CA -0.792 57.372 58.200 -0.060 0.000 1.045 543 S CB 0.637 63.812 63.200 -0.042 0.000 0.873 543 S HN 0.427 nan 8.310 nan 0.000 0.516 544 C N 1.457 120.497 119.300 -0.434 0.000 3.318 544 C HA 0.696 5.156 4.460 0.001 0.000 0.329 544 C C -0.495 174.067 174.990 -0.715 0.000 1.449 544 C CA -1.019 57.690 59.018 -0.515 0.000 1.397 544 C CB 0.726 28.125 27.740 -0.568 0.000 1.810 544 C HN 0.922 nan 8.230 nan 0.000 0.449 545 I N 1.657 121.956 120.570 -0.452 0.000 2.498 545 I HA 0.337 4.507 4.170 0.001 0.000 0.290 545 I C 0.312 176.460 176.117 0.053 0.000 1.032 545 I CA 0.008 61.167 61.300 -0.236 0.000 1.073 545 I CB 2.009 39.952 38.000 -0.094 0.000 1.251 545 I HN 0.818 nan 8.210 nan 0.000 0.426 546 S N 4.305 120.171 115.700 0.277 0.000 2.563 546 S HA 0.021 4.491 4.470 0.001 0.000 0.294 546 S C 0.579 175.275 174.600 0.160 0.000 1.279 546 S CA -0.394 58.007 58.200 0.334 0.000 1.069 546 S CB 1.386 64.723 63.200 0.228 0.000 0.828 546 S HN 0.570 nan 8.310 nan 0.000 0.497 547 V N 3.494 123.493 119.914 0.142 0.000 3.307 547 V HA 0.470 4.591 4.120 0.001 0.000 0.253 547 V C 1.056 177.192 176.094 0.069 0.000 1.149 547 V CA 1.336 63.688 62.300 0.088 0.000 1.112 547 V CB -0.727 31.136 31.823 0.066 0.000 0.777 547 V HN 1.771 nan 8.190 nan 0.000 0.464 548 G N 0.275 109.119 108.800 0.074 0.000 3.233 548 G HA2 -0.036 3.924 3.960 0.001 0.000 0.686 548 G HA3 -0.036 3.924 3.960 0.001 0.000 0.686 548 G C -0.413 174.524 174.900 0.062 0.000 1.153 548 G CA -0.236 44.904 45.100 0.067 0.000 0.853 548 G HN 0.500 nan 8.290 nan 0.000 0.582 549 T N 1.242 115.837 114.554 0.069 0.000 2.780 549 T HA 0.729 5.079 4.350 0.001 0.000 0.263 549 T C -0.383 174.366 174.700 0.081 0.000 0.993 549 T CA -0.432 61.712 62.100 0.072 0.000 1.010 549 T CB 1.531 70.433 68.868 0.058 0.000 1.642 549 T HN 0.656 nan 8.240 nan 0.000 0.587 550 D N 0.750 121.196 120.400 0.077 0.000 2.252 550 D HA 0.336 4.977 4.640 0.001 0.000 0.245 550 D C -1.510 174.825 176.300 0.059 0.000 1.009 550 D CA -2.242 51.801 54.000 0.072 0.000 0.870 550 D CB 2.267 43.110 40.800 0.071 0.000 1.251 550 D HN 0.082 nan 8.370 nan 0.000 0.460 551 P HA -0.066 nan 4.420 nan 0.000 0.214 551 P C 1.822 179.132 177.300 0.017 0.000 1.162 551 P CA 0.834 63.966 63.100 0.053 0.000 0.871 551 P CB 0.572 32.322 31.700 0.084 0.000 0.783 552 M N 0.669 120.280 119.600 0.017 0.000 2.151 552 M HA -0.139 4.341 4.480 0.001 0.000 0.256 552 M C -0.448 175.869 176.300 0.028 0.000 1.072 552 M CA 3.232 58.538 55.300 0.009 0.000 1.090 552 M CB -2.475 30.137 32.600 0.020 0.000 1.294 552 M HN 0.027 nan 8.290 nan 0.000 0.415 553 P HA -0.114 nan 4.420 nan 0.000 0.234 553 P C 0.840 178.179 177.300 0.064 0.000 1.162 553 P CA 1.461 64.599 63.100 0.063 0.000 0.759 553 P CB -0.286 31.445 31.700 0.052 0.000 0.813 554 I N -2.776 117.803 120.570 0.014 0.000 4.456 554 I HA 0.117 4.288 4.170 0.001 0.000 0.329 554 I C 2.179 178.285 176.117 -0.019 0.000 1.313 554 I CA -0.060 61.204 61.300 -0.060 0.000 1.205 554 I CB 0.292 38.224 38.000 -0.113 0.000 1.179 554 I HN -0.190 nan 8.210 nan 0.000 0.419 555 I N 0.682 121.236 120.570 -0.025 0.000 2.385 555 I HA -0.149 4.021 4.170 0.001 0.000 0.244 555 I C 2.437 178.557 176.117 0.006 0.000 1.089 555 I CA 1.189 62.429 61.300 -0.100 0.000 1.410 555 I CB -0.086 37.777 38.000 -0.229 0.000 1.117 555 I HN 0.085 nan 8.210 nan 0.000 0.429 556 T N 1.362 115.939 114.554 0.040 0.000 2.653 556 T HA -0.293 4.058 4.350 0.001 0.000 0.268 556 T C 1.703 176.490 174.700 0.145 0.000 1.035 556 T CA 2.027 64.169 62.100 0.071 0.000 1.154 556 T CB -0.582 68.327 68.868 0.068 0.000 0.862 556 T HN 0.320 nan 8.240 nan 0.000 0.441 557 F N 1.150 121.104 119.950 0.008 0.000 2.095 557 F HA -0.124 4.403 4.527 0.001 0.000 0.298 557 F C 2.013 177.860 175.800 0.077 0.000 1.104 557 F CA 1.141 59.162 58.000 0.035 0.000 1.232 557 F CB -0.220 38.750 39.000 -0.049 0.000 0.987 557 F HN 0.074 nan 8.300 nan 0.000 0.475 558 L N 0.264 121.775 121.223 0.479 0.000 1.943 558 L HA -0.294 4.046 4.340 0.001 0.000 0.215 558 L C 2.865 179.870 176.870 0.224 0.000 1.074 558 L CA 1.787 56.824 54.840 0.328 0.000 0.759 558 L CB -1.163 40.970 42.059 0.122 0.000 0.888 558 L HN 0.318 nan 8.230 nan 0.000 0.433 559 S N -0.584 115.192 115.700 0.127 0.000 2.434 559 S HA -0.280 4.190 4.470 0.001 0.000 0.243 559 S C 1.327 175.974 174.600 0.079 0.000 1.045 559 S CA 1.697 59.946 58.200 0.081 0.000 1.019 559 S CB -0.623 62.603 63.200 0.044 0.000 0.811 559 S HN 0.526 nan 8.310 nan 0.000 0.485 560 E N -1.078 119.189 120.200 0.111 0.000 2.394 560 E HA 0.158 4.509 4.350 0.001 0.000 0.191 560 E C -0.594 176.013 176.600 0.011 0.000 1.044 560 E CA -0.218 56.203 56.400 0.035 0.000 0.939 560 E CB 0.108 29.809 29.700 0.002 0.000 1.089 560 E HN 0.767 nan 8.360 nan 0.000 0.456 561 W N -0.762 120.503 121.300 -0.057 0.000 1.479 561 W HA 0.255 4.916 4.660 0.001 0.000 0.224 561 W C 1.002 177.511 176.519 -0.017 0.000 0.799 561 W CA -0.003 57.317 57.345 -0.042 0.000 1.149 561 W CB 1.378 30.840 29.460 0.003 0.000 0.935 561 W HN 0.167 nan 8.180 nan 0.000 0.454 562 G N 0.209 109.107 108.800 0.163 0.000 2.738 562 G HA2 -0.190 3.770 3.960 0.001 0.000 0.195 562 G HA3 -0.190 3.770 3.960 0.001 0.000 0.195 562 G C 0.185 175.317 174.900 0.387 0.000 1.001 562 G CA -0.300 44.976 45.100 0.293 0.000 0.759 562 G HN 0.031 nan 8.290 nan 0.000 0.494 563 M N 2.854 122.558 119.600 0.172 0.000 2.350 563 M HA 0.376 4.857 4.480 0.001 0.000 0.338 563 M C -0.008 176.351 176.300 0.099 0.000 1.559 563 M CA 0.254 55.643 55.300 0.148 0.000 1.217 563 M CB -0.018 32.633 32.600 0.085 0.000 1.808 563 M HN 0.189 nan 8.290 nan 0.000 0.458 564 E N 8.123 128.379 120.200 0.093 0.000 2.029 564 E HA 0.171 4.521 4.350 0.001 0.000 0.276 564 E C -2.105 174.477 176.600 -0.031 0.000 1.163 564 E CA -1.722 54.693 56.400 0.026 0.000 0.909 564 E CB -0.158 29.555 29.700 0.022 0.000 1.046 564 E HN 0.508 nan 8.360 nan 0.000 0.406 565 P HA -0.174 nan 4.420 nan 0.000 0.264 565 P C 0.629 177.823 177.300 -0.177 0.000 1.173 565 P CA 0.034 63.089 63.100 -0.075 0.000 0.761 565 P CB 0.867 32.542 31.700 -0.041 0.000 0.794 566 L N 3.157 124.210 121.223 -0.283 0.000 2.131 566 L HA -0.189 4.152 4.340 0.001 0.000 0.210 566 L C 2.332 178.938 176.870 -0.440 0.000 1.092 566 L CA 1.825 56.338 54.840 -0.545 0.000 0.759 566 L CB -0.997 40.653 42.059 -0.681 0.000 0.903 566 L HN 0.294 nan 8.230 nan 0.000 0.435 567 E N 0.113 120.177 120.200 -0.226 0.000 2.086 567 E HA -0.220 4.130 4.350 0.001 0.000 0.205 567 E C 0.285 176.812 176.600 -0.122 0.000 1.027 567 E CA 1.579 57.893 56.400 -0.145 0.000 0.830 567 E CB -0.620 29.009 29.700 -0.118 0.000 0.751 567 E HN 0.617 nan 8.360 nan 0.000 0.456 568 D N 0.071 120.395 120.400 -0.126 0.000 2.518 568 D HA 0.127 4.768 4.640 0.001 0.000 0.230 568 D C -0.785 175.457 176.300 -0.097 0.000 1.138 568 D CA -0.144 53.804 54.000 -0.087 0.000 0.964 568 D CB -0.148 40.607 40.800 -0.075 0.000 1.011 568 D HN 0.048 nan 8.370 nan 0.000 0.517 569 Y N 1.339 121.468 120.300 -0.286 0.000 2.376 569 Y HA 0.354 4.905 4.550 0.001 0.000 0.340 569 Y C -0.665 175.164 175.900 -0.119 0.000 0.965 569 Y CA -1.146 56.754 58.100 -0.333 0.000 1.078 569 Y CB 1.539 39.529 38.460 -0.782 0.000 1.193 569 Y HN 0.056 nan 8.280 nan 0.000 0.452 570 V N 7.148 126.616 119.914 -0.744 0.000 2.340 570 V HA 0.420 4.541 4.120 0.001 0.000 0.277 570 V C -2.057 173.528 176.094 -0.849 0.000 1.017 570 V CA -1.833 60.101 62.300 -0.611 0.000 0.820 570 V CB 0.878 32.436 31.823 -0.442 0.000 1.028 570 V HN 0.693 nan 8.190 nan 0.000 0.436 571 P HA -0.309 nan 4.420 nan 0.000 0.212 571 P C 1.398 178.568 177.300 -0.217 0.000 1.128 571 P CA 2.684 65.565 63.100 -0.365 0.000 0.961 571 P CB -0.236 31.484 31.700 0.033 0.000 0.782 572 H N -0.706 118.303 119.070 -0.102 0.000 2.545 572 H HA -0.011 4.545 4.556 0.001 0.000 0.282 572 H C 1.981 177.265 175.328 -0.073 0.000 1.020 572 H CA 1.105 57.122 56.048 -0.051 0.000 1.243 572 H CB -0.899 28.848 29.762 -0.025 0.000 1.377 572 H HN 0.339 nan 8.280 nan 0.000 0.581 573 Q N 1.311 120.842 119.800 -0.448 0.000 2.269 573 Q HA 0.037 4.377 4.340 0.001 0.000 0.201 573 Q C -0.019 175.867 176.000 -0.190 0.000 0.946 573 Q CA 0.457 56.088 55.803 -0.287 0.000 0.877 573 Q CB 0.564 29.096 28.738 -0.343 0.000 0.963 573 Q HN 0.216 nan 8.270 nan 0.000 0.472 574 S N 1.725 117.292 115.700 -0.222 0.000 2.395 574 S HA 0.226 4.696 4.470 0.001 0.000 0.207 574 S C -2.156 172.419 174.600 -0.042 0.000 1.454 574 S CA -1.089 57.034 58.200 -0.128 0.000 1.211 574 S CB 1.663 64.767 63.200 -0.160 0.000 1.093 574 S HN 0.288 nan 8.310 nan 0.000 0.472 575 P HA -0.061 nan 4.420 nan 0.000 0.213 575 P C 0.197 177.569 177.300 0.120 0.000 1.170 575 P CA 1.179 64.328 63.100 0.082 0.000 0.889 575 P CB 0.105 31.847 31.700 0.070 0.000 0.782 576 D N 0.365 120.818 120.400 0.090 0.000 2.344 576 D HA 0.198 4.839 4.640 0.001 0.000 0.242 576 D C 0.493 176.859 176.300 0.111 0.000 1.159 576 D CA 0.064 54.123 54.000 0.098 0.000 0.859 576 D CB -0.372 40.467 40.800 0.065 0.000 0.925 576 D HN 0.146 nan 8.370 nan 0.000 0.510 577 A N 0.776 123.683 122.820 0.144 0.000 2.561 577 A HA 0.056 4.376 4.320 0.001 0.000 0.251 577 A C 0.774 178.470 177.584 0.185 0.000 1.062 577 A CA 0.384 52.527 52.037 0.177 0.000 0.761 577 A CB -0.043 19.142 19.000 0.308 0.000 0.986 577 A HN 0.011 nan 8.150 nan 0.000 0.510 578 T N 4.863 119.504 114.554 0.145 0.000 3.477 578 T HA 0.248 4.598 4.350 0.001 0.000 0.347 578 T C 0.575 175.366 174.700 0.151 0.000 1.567 578 T CA -0.401 61.788 62.100 0.148 0.000 1.169 578 T CB -0.548 68.401 68.868 0.135 0.000 1.196 578 T HN 0.776 nan 8.240 nan 0.000 0.768 579 R N 1.025 121.619 120.500 0.156 0.000 2.494 579 R HA 0.173 4.514 4.340 0.001 0.000 0.291 579 R C -0.714 175.565 176.300 -0.036 0.000 0.953 579 R CA -0.246 55.943 56.100 0.149 0.000 1.098 579 R CB -0.153 30.238 30.300 0.152 0.000 0.911 579 R HN 0.155 nan 8.270 nan 0.000 0.407 580 V N 4.728 124.639 119.914 -0.005 0.000 2.472 580 V HA 0.413 4.534 4.120 0.001 0.000 0.290 580 V C -0.345 175.649 176.094 -0.165 0.000 1.037 580 V CA -0.473 61.808 62.300 -0.031 0.000 0.908 580 V CB 0.928 32.792 31.823 0.070 0.000 0.985 580 V HN 0.582 nan 8.190 nan 0.000 0.454 581 F N 2.962 122.928 119.950 0.027 0.000 2.532 581 F HA 0.715 5.243 4.527 0.001 0.000 0.321 581 F C -0.113 175.699 175.800 0.020 0.000 1.089 581 F CA -0.822 57.181 58.000 0.005 0.000 0.926 581 F CB 2.216 41.149 39.000 -0.112 0.000 1.168 581 F HN 0.211 nan 8.300 nan 0.000 0.459 582 V N 3.746 123.871 119.914 0.351 0.000 2.623 582 V HA 0.321 4.442 4.120 0.001 0.000 0.304 582 V C -0.637 175.655 176.094 0.330 0.000 1.054 582 V CA -0.926 61.547 62.300 0.287 0.000 0.882 582 V CB 1.560 33.602 31.823 0.366 0.000 1.002 582 V HN 0.839 nan 8.190 nan 0.000 0.424 583 N N 4.442 123.365 118.700 0.371 0.000 2.710 583 N HA -0.199 4.542 4.740 0.001 0.000 0.249 583 N C 0.926 176.662 175.510 0.376 0.000 1.059 583 N CA 1.798 55.123 53.050 0.458 0.000 0.720 583 N CB -1.023 37.637 38.487 0.289 0.000 0.983 583 N HN 1.661 nan 8.380 nan 0.000 0.544 584 G N -2.572 106.492 108.800 0.439 0.000 2.198 584 G HA2 -0.216 3.744 3.960 0.001 0.000 0.257 584 G HA3 -0.216 3.744 3.960 0.001 0.000 0.257 584 G C -0.179 174.945 174.900 0.374 0.000 1.042 584 G CA 0.309 45.588 45.100 0.299 0.000 0.791 584 G HN 0.598 nan 8.290 nan 0.000 0.502 585 V N -0.876 119.286 119.914 0.414 0.000 2.876 585 V HA 0.702 4.822 4.120 0.001 0.000 0.312 585 V C -0.322 175.941 176.094 0.282 0.000 1.085 585 V CA -1.331 61.116 62.300 0.245 0.000 0.945 585 V CB 2.046 33.788 31.823 -0.136 0.000 1.017 585 V HN 0.311 nan 8.190 nan 0.000 0.428 586 W N 4.008 125.307 121.300 -0.002 0.000 2.367 586 W HA 0.459 5.119 4.660 0.001 0.000 0.329 586 W C 0.696 177.012 176.519 -0.338 0.000 1.066 586 W CA -0.646 56.528 57.345 -0.285 0.000 1.435 586 W CB 0.118 29.521 29.460 -0.095 0.000 1.296 586 W HN 0.672 nan 8.180 nan 0.000 0.401 587 H N 3.564 122.716 119.070 0.136 0.000 2.519 587 H HA 0.297 4.854 4.556 0.001 0.000 0.289 587 H C 1.296 176.545 175.328 -0.131 0.000 1.040 587 H CA 0.967 57.018 56.048 0.004 0.000 1.165 587 H CB 0.117 29.906 29.762 0.045 0.000 1.462 587 H HN 0.586 nan 8.280 nan 0.000 0.555 588 G N -0.251 108.381 108.800 -0.281 0.000 2.337 588 G HA2 -0.086 3.875 3.960 0.001 0.000 0.197 588 G HA3 -0.086 3.875 3.960 0.001 0.000 0.197 588 G C -0.964 173.776 174.900 -0.267 0.000 1.238 588 G CA -0.241 44.597 45.100 -0.436 0.000 1.119 588 G HN 0.165 nan 8.290 nan 0.000 0.514 589 V N -0.885 118.958 119.914 -0.118 0.000 3.204 589 V HA 0.970 5.090 4.120 0.001 0.000 0.308 589 V C -0.392 175.805 176.094 0.172 0.000 1.324 589 V CA 0.096 62.426 62.300 0.049 0.000 1.042 589 V CB 1.922 33.781 31.823 0.060 0.000 1.167 589 V HN 1.782 nan 8.190 nan 0.000 0.478 590 H N -0.218 118.892 119.070 0.067 0.000 3.153 590 H HA 0.472 5.029 4.556 0.001 0.000 0.323 590 H C -0.230 175.144 175.328 0.076 0.000 1.096 590 H CA -0.604 55.485 56.048 0.069 0.000 1.385 590 H CB 1.163 30.972 29.762 0.079 0.000 2.027 590 H HN 0.559 nan 8.280 nan 0.000 0.499 591 R N 1.769 121.930 120.500 -0.564 0.000 2.847 591 R HA 0.062 4.403 4.340 0.001 0.000 0.157 591 R C 0.287 176.276 176.300 -0.518 0.000 0.803 591 R CA -0.438 55.430 56.100 -0.388 0.000 1.442 591 R CB -0.286 29.865 30.300 -0.249 0.000 0.748 591 R HN 0.700 nan 8.270 nan 0.000 0.554 592 N N 3.325 121.867 118.700 -0.263 0.000 2.106 592 N HA -0.090 4.650 4.740 0.001 0.000 0.284 592 N C -1.682 173.836 175.510 0.012 0.000 1.388 592 N CA -0.205 52.788 53.050 -0.094 0.000 0.944 592 N CB 0.527 39.003 38.487 -0.018 0.000 1.333 592 N HN 0.300 nan 8.380 nan 0.000 0.489 593 P HA 0.056 nan 4.420 nan 0.000 0.252 593 P C 1.035 178.464 177.300 0.215 0.000 1.211 593 P CA 0.236 63.566 63.100 0.384 0.000 0.824 593 P CB 0.134 32.047 31.700 0.355 0.000 1.077 594 A N 1.563 124.467 122.820 0.142 0.000 1.985 594 A HA -0.251 4.069 4.320 0.001 0.000 0.223 594 A C 2.387 180.035 177.584 0.105 0.000 1.189 594 A CA 1.833 53.931 52.037 0.101 0.000 0.658 594 A CB -1.161 17.886 19.000 0.077 0.000 0.820 594 A HN 0.159 nan 8.150 nan 0.000 0.464 595 R N -1.672 118.914 120.500 0.142 0.000 2.066 595 R HA 0.053 4.393 4.340 0.001 0.000 0.224 595 R C 2.173 178.563 176.300 0.149 0.000 1.122 595 R CA 0.945 57.133 56.100 0.146 0.000 0.974 595 R CB -0.604 29.801 30.300 0.175 0.000 0.871 595 R HN 0.501 nan 8.270 nan 0.000 0.435 596 L N 1.209 122.546 121.223 0.189 0.000 2.064 596 L HA -0.251 4.090 4.340 0.001 0.000 0.216 596 L C 2.159 179.036 176.870 0.011 0.000 1.077 596 L CA 1.889 56.781 54.840 0.086 0.000 0.766 596 L CB -0.499 41.517 42.059 -0.071 0.000 0.890 596 L HN 0.126 nan 8.230 nan 0.000 0.435 597 M N 0.246 119.867 119.600 0.035 0.000 2.218 597 M HA -0.218 4.263 4.480 0.001 0.000 0.262 597 M C 2.304 178.592 176.300 -0.021 0.000 1.081 597 M CA 2.260 57.559 55.300 -0.001 0.000 1.100 597 M CB -0.897 31.719 32.600 0.027 0.000 1.258 597 M HN 0.440 nan 8.290 nan 0.000 0.438 598 E N -1.560 118.645 120.200 0.007 0.000 2.444 598 E HA -0.197 4.154 4.350 0.001 0.000 0.204 598 E C 1.089 177.674 176.600 -0.025 0.000 1.049 598 E CA 1.481 57.879 56.400 -0.003 0.000 0.872 598 E CB -0.028 29.684 29.700 0.019 0.000 0.791 598 E HN 0.593 nan 8.360 nan 0.000 0.548 599 T N -0.144 114.385 114.554 -0.041 0.000 3.035 599 T HA 0.073 4.423 4.350 0.001 0.000 0.259 599 T C 1.605 176.179 174.700 -0.209 0.000 1.078 599 T CA 0.227 62.261 62.100 -0.110 0.000 1.132 599 T CB 0.164 68.957 68.868 -0.125 0.000 0.900 599 T HN 0.148 nan 8.240 nan 0.000 0.480 600 L N 0.309 121.406 121.223 -0.210 0.000 2.127 600 L HA 0.117 4.458 4.340 0.001 0.000 0.203 600 L C 2.809 179.558 176.870 -0.203 0.000 1.080 600 L CA 0.930 55.594 54.840 -0.293 0.000 0.768 600 L CB -0.387 41.502 42.059 -0.283 0.000 0.924 600 L HN 0.084 nan 8.230 nan 0.000 0.444 601 R N -0.294 120.130 120.500 -0.128 0.000 2.105 601 R HA -0.131 4.210 4.340 0.001 0.000 0.239 601 R C 1.953 178.198 176.300 -0.091 0.000 1.135 601 R CA 1.849 57.896 56.100 -0.089 0.000 0.967 601 R CB -0.520 29.751 30.300 -0.048 0.000 0.861 601 R HN 0.323 nan 8.270 nan 0.000 0.442 602 T N 1.084 115.583 114.554 -0.091 0.000 3.113 602 T HA 0.062 4.413 4.350 0.001 0.000 0.256 602 T C 1.515 176.161 174.700 -0.089 0.000 1.131 602 T CA 0.230 62.285 62.100 -0.076 0.000 1.074 602 T CB 0.169 69.007 68.868 -0.051 0.000 0.944 602 T HN 0.054 nan 8.240 nan 0.000 0.516 603 L N 1.153 122.297 121.223 -0.132 0.000 2.162 603 L HA 0.181 4.522 4.340 0.001 0.000 0.205 603 L C 2.565 179.359 176.870 -0.127 0.000 1.086 603 L CA 1.361 56.115 54.840 -0.142 0.000 0.778 603 L CB -0.581 41.318 42.059 -0.267 0.000 0.928 603 L HN 0.204 nan 8.230 nan 0.000 0.446 604 R N 0.408 120.824 120.500 -0.139 0.000 2.055 604 R HA -0.121 4.219 4.340 0.001 0.000 0.228 604 R C 2.032 178.266 176.300 -0.110 0.000 1.143 604 R CA 0.858 56.885 56.100 -0.122 0.000 0.945 604 R CB -0.184 30.044 30.300 -0.121 0.000 0.841 604 R HN 0.226 nan 8.270 nan 0.000 0.429 605 R N 0.442 120.878 120.500 -0.107 0.000 2.438 605 R HA -0.151 4.189 4.340 0.001 0.000 0.227 605 R C 1.984 178.226 176.300 -0.096 0.000 1.153 605 R CA 1.146 57.180 56.100 -0.110 0.000 1.059 605 R CB -0.079 30.164 30.300 -0.095 0.000 0.831 605 R HN 0.304 nan 8.270 nan 0.000 0.487 606 K N -0.943 119.410 120.400 -0.078 0.000 2.306 606 K HA 0.018 4.339 4.320 0.001 0.000 0.200 606 K C 0.966 177.535 176.600 -0.051 0.000 1.083 606 K CA 1.088 57.342 56.287 -0.055 0.000 0.959 606 K CB 0.810 33.289 32.500 -0.035 0.000 0.994 606 K HN 0.229 nan 8.250 nan 0.000 0.492 607 G N 0.996 109.762 108.800 -0.056 0.000 2.273 607 G HA2 -0.131 3.830 3.960 0.001 0.000 0.162 607 G HA3 -0.131 3.830 3.960 0.001 0.000 0.162 607 G C 0.198 175.082 174.900 -0.026 0.000 1.006 607 G CA 0.217 45.291 45.100 -0.044 0.000 0.704 607 G HN 0.267 nan 8.290 nan 0.000 0.487 608 D N 0.386 120.769 120.400 -0.029 0.000 2.137 608 D HA 0.099 4.740 4.640 0.001 0.000 0.202 608 D C 1.362 177.641 176.300 -0.035 0.000 0.970 608 D CA 0.717 54.711 54.000 -0.011 0.000 0.837 608 D CB 0.434 41.241 40.800 0.011 0.000 0.981 608 D HN 0.472 nan 8.370 nan 0.000 0.475 609 I N 2.144 122.663 120.570 -0.084 0.000 2.312 609 I HA 0.046 4.216 4.170 0.001 0.000 0.290 609 I C 0.509 176.580 176.117 -0.076 0.000 1.008 609 I CA -0.714 60.520 61.300 -0.110 0.000 1.226 609 I CB 0.859 38.745 38.000 -0.191 0.000 1.371 609 I HN -0.168 nan 8.210 nan 0.000 0.468 610 N N 9.079 127.754 118.700 -0.042 0.000 2.236 610 N HA -0.077 4.664 4.740 0.001 0.000 0.274 610 N C -1.627 173.858 175.510 -0.042 0.000 1.339 610 N CA -0.614 52.423 53.050 -0.021 0.000 0.845 610 N CB 0.984 39.477 38.487 0.010 0.000 1.091 610 N HN 0.328 nan 8.380 nan 0.000 0.489 611 P HA -0.202 nan 4.420 nan 0.000 0.219 611 P C 0.963 178.224 177.300 -0.065 0.000 1.145 611 P CA 1.183 64.213 63.100 -0.115 0.000 0.813 611 P CB 0.289 31.868 31.700 -0.202 0.000 0.771 612 E N -0.301 119.890 120.200 -0.015 0.000 2.008 612 E HA -0.084 4.266 4.350 0.001 0.000 0.191 612 E C 0.256 176.788 176.600 -0.113 0.000 0.986 612 E CA 0.427 56.766 56.400 -0.102 0.000 0.807 612 E CB -0.295 29.390 29.700 -0.025 0.000 0.766 612 E HN -0.172 nan 8.360 nan 0.000 0.450 613 V N 1.913 121.804 119.914 -0.037 0.000 3.005 613 V HA -0.161 3.959 4.120 0.001 0.000 0.287 613 V C 0.336 176.425 176.094 -0.008 0.000 1.344 613 V CA 1.013 63.312 62.300 -0.002 0.000 1.410 613 V CB 0.601 32.418 31.823 -0.010 0.000 0.913 613 V HN 0.440 nan 8.190 nan 0.000 0.525 614 S N 4.960 120.687 115.700 0.044 0.000 2.536 614 S HA 0.898 5.368 4.470 0.001 0.000 0.298 614 S C -0.928 173.663 174.600 -0.014 0.000 1.083 614 S CA -1.019 57.204 58.200 0.038 0.000 0.995 614 S CB 1.888 65.156 63.200 0.114 0.000 1.058 614 S HN 0.557 nan 8.310 nan 0.000 0.488 615 M N 2.534 122.111 119.600 -0.039 0.000 2.213 615 M HA 0.499 4.979 4.480 0.001 0.000 0.286 615 M C -1.847 174.422 176.300 -0.053 0.000 1.008 615 M CA -0.402 54.851 55.300 -0.079 0.000 0.937 615 M CB 1.835 34.385 32.600 -0.084 0.000 1.600 615 M HN 0.525 nan 8.290 nan 0.000 0.450 616 I N 2.581 123.106 120.570 -0.076 0.000 2.418 616 I HA 0.480 4.651 4.170 0.001 0.000 0.287 616 I C -0.339 175.768 176.117 -0.017 0.000 1.008 616 I CA -0.427 60.852 61.300 -0.035 0.000 1.104 616 I CB 1.904 39.881 38.000 -0.037 0.000 1.264 616 I HN 0.627 nan 8.210 nan 0.000 0.438 617 R N 4.434 124.940 120.500 0.011 0.000 2.229 617 R HA 0.255 4.595 4.340 0.001 0.000 0.332 617 R C -0.594 175.728 176.300 0.037 0.000 0.989 617 R CA -0.352 55.766 56.100 0.030 0.000 0.842 617 R CB 0.704 31.028 30.300 0.040 0.000 1.119 617 R HN 0.601 nan 8.270 nan 0.000 0.456 618 D N 6.872 127.298 120.400 0.043 0.000 2.943 618 D HA 0.064 4.704 4.640 0.001 0.000 0.249 618 D C 1.550 177.883 176.300 0.055 0.000 1.231 618 D CA -0.170 53.857 54.000 0.045 0.000 0.979 618 D CB 0.191 41.017 40.800 0.044 0.000 1.053 618 D HN 0.652 nan 8.370 nan 0.000 0.504 619 I N 1.073 121.675 120.570 0.053 0.000 2.345 619 I HA -0.466 3.704 4.170 0.001 0.000 0.228 619 I C 2.390 178.541 176.117 0.058 0.000 0.960 619 I CA 1.551 62.885 61.300 0.056 0.000 1.262 619 I CB -0.237 37.791 38.000 0.047 0.000 0.969 619 I HN 0.278 nan 8.210 nan 0.000 0.385 620 R N -0.060 120.469 120.500 0.048 0.000 2.185 620 R HA -0.253 4.087 4.340 0.001 0.000 0.247 620 R C 1.897 178.229 176.300 0.054 0.000 1.159 620 R CA 1.745 57.873 56.100 0.046 0.000 0.988 620 R CB -0.340 29.981 30.300 0.036 0.000 0.871 620 R HN 0.427 nan 8.270 nan 0.000 0.458 621 E N 0.510 120.747 120.200 0.061 0.000 2.489 621 E HA 0.047 4.397 4.350 0.001 0.000 0.204 621 E C -0.665 175.997 176.600 0.103 0.000 1.006 621 E CA 0.026 56.470 56.400 0.073 0.000 0.936 621 E CB 0.360 30.099 29.700 0.064 0.000 1.002 621 E HN 0.034 nan 8.360 nan 0.000 0.488 622 K N 1.315 121.774 120.400 0.100 0.000 3.898 622 K HA -0.188 4.133 4.320 0.001 0.000 0.282 622 K C -1.120 175.559 176.600 0.132 0.000 1.014 622 K CA 0.926 57.284 56.287 0.117 0.000 0.848 622 K CB -1.372 31.210 32.500 0.136 0.000 1.469 622 K HN 0.276 nan 8.250 nan 0.000 0.446 623 E N 0.400 120.670 120.200 0.116 0.000 2.372 623 E HA 0.408 4.758 4.350 0.001 0.000 0.279 623 E C -1.461 175.201 176.600 0.103 0.000 0.946 623 E CA -1.123 55.354 56.400 0.127 0.000 0.769 623 E CB 1.902 31.706 29.700 0.173 0.000 1.230 623 E HN 0.096 nan 8.360 nan 0.000 0.442 624 L N 2.410 123.695 121.223 0.104 0.000 2.345 624 L HA 0.371 4.711 4.340 0.001 0.000 0.274 624 L C -1.231 175.672 176.870 0.055 0.000 0.999 624 L CA -0.407 54.470 54.840 0.061 0.000 0.849 624 L CB 0.709 42.800 42.059 0.054 0.000 1.220 624 L HN 0.286 nan 8.230 nan 0.000 0.422 625 K N 6.723 127.095 120.400 -0.047 0.000 2.213 625 K HA 0.556 4.876 4.320 0.001 0.000 0.270 625 K C -1.054 175.325 176.600 -0.368 0.000 1.002 625 K CA -0.345 55.797 56.287 -0.241 0.000 0.868 625 K CB 1.894 34.165 32.500 -0.382 0.000 1.093 625 K HN 0.581 nan 8.250 nan 0.000 0.454 626 I N 4.138 124.466 120.570 -0.404 0.000 2.478 626 I HA 0.352 4.523 4.170 0.001 0.000 0.287 626 I C -0.748 175.216 176.117 -0.254 0.000 1.042 626 I CA -0.671 60.462 61.300 -0.278 0.000 1.067 626 I CB 1.139 39.079 38.000 -0.101 0.000 1.233 626 I HN 0.397 nan 8.210 nan 0.000 0.431 627 F N 3.647 123.617 119.950 0.033 0.000 2.480 627 F HA 0.398 4.926 4.527 0.001 0.000 0.329 627 F C 1.098 176.911 175.800 0.021 0.000 1.091 627 F CA -0.480 57.539 58.000 0.031 0.000 0.972 627 F CB 2.327 41.338 39.000 0.019 0.000 1.150 627 F HN 0.329 nan 8.300 nan 0.000 0.467 628 T N -0.735 113.976 114.554 0.261 0.000 2.975 628 T HA -0.019 4.331 4.350 0.001 0.000 0.261 628 T C 0.001 174.767 174.700 0.111 0.000 0.984 628 T CA -0.175 62.011 62.100 0.143 0.000 0.911 628 T CB -0.135 68.802 68.868 0.115 0.000 1.127 628 T HN 0.519 nan 8.240 nan 0.000 0.514 629 D N 2.463 122.923 120.400 0.100 0.000 2.749 629 D HA -0.014 4.627 4.640 0.001 0.000 0.222 629 D C -0.028 176.281 176.300 0.015 0.000 1.131 629 D CA 0.452 54.457 54.000 0.009 0.000 0.845 629 D CB 0.506 41.220 40.800 -0.142 0.000 1.196 629 D HN 0.334 nan 8.370 nan 0.000 0.503 630 A N 2.216 125.045 122.820 0.015 0.000 2.269 630 A HA 0.581 4.901 4.320 0.001 0.000 0.302 630 A C 0.993 178.580 177.584 0.004 0.000 1.266 630 A CA 0.346 52.401 52.037 0.031 0.000 0.894 630 A CB 0.786 19.815 19.000 0.049 0.000 1.147 630 A HN 0.786 nan 8.150 nan 0.000 0.537 631 G N 2.379 111.185 108.800 0.010 0.000 2.174 631 G HA2 -0.115 3.846 3.960 0.001 0.000 0.140 631 G HA3 -0.115 3.846 3.960 0.001 0.000 0.140 631 G C 0.056 174.919 174.900 -0.063 0.000 1.031 631 G CA -0.559 44.525 45.100 -0.026 0.000 0.728 631 G HN 0.800 nan 8.290 nan 0.000 0.496 632 R N 0.031 120.523 120.500 -0.013 0.000 2.410 632 R HA 0.590 4.930 4.340 0.001 0.000 0.288 632 R C -0.031 176.287 176.300 0.030 0.000 1.051 632 R CA -0.580 55.508 56.100 -0.020 0.000 1.021 632 R CB 1.998 32.327 30.300 0.050 0.000 1.032 632 R HN 0.041 nan 8.270 nan 0.000 0.481 633 V N 4.412 124.301 119.914 -0.042 0.000 2.407 633 V HA 0.297 4.417 4.120 0.001 0.000 0.278 633 V C -0.700 175.461 176.094 0.111 0.000 1.037 633 V CA -0.435 61.852 62.300 -0.021 0.000 0.900 633 V CB 0.325 32.191 31.823 0.072 0.000 0.983 633 V HN 0.689 nan 8.190 nan 0.000 0.459 634 Y N 4.123 124.442 120.300 0.031 0.000 2.581 634 Y HA 0.899 5.450 4.550 0.001 0.000 0.345 634 Y C -0.371 175.529 175.900 -0.000 0.000 1.036 634 Y CA -1.623 56.498 58.100 0.035 0.000 1.042 634 Y CB 1.469 39.940 38.460 0.019 0.000 1.289 634 Y HN 0.652 nan 8.280 nan 0.000 0.471 635 R N 1.128 121.780 120.500 0.254 0.000 2.960 635 R HA 0.764 5.104 4.340 0.001 0.000 0.249 635 R C -3.265 173.197 176.300 0.271 0.000 1.192 635 R CA -1.953 54.243 56.100 0.160 0.000 1.035 635 R CB 2.160 32.530 30.300 0.116 0.000 1.234 635 R HN 0.539 nan 8.270 nan 0.000 0.493 636 P HA 0.526 nan 4.420 nan 0.000 0.289 636 P C -1.042 176.346 177.300 0.146 0.000 1.293 636 P CA -0.728 62.560 63.100 0.314 0.000 0.897 636 P CB 2.132 34.035 31.700 0.338 0.000 1.166 637 L N 0.918 122.231 121.223 0.149 0.000 2.415 637 L HA 0.495 4.836 4.340 0.001 0.000 0.256 637 L C -0.150 176.856 176.870 0.227 0.000 1.010 637 L CA -1.011 53.895 54.840 0.110 0.000 0.826 637 L CB 2.352 44.492 42.059 0.136 0.000 1.405 637 L HN 0.308 nan 8.230 nan 0.000 0.410 638 F N 1.951 121.944 119.950 0.072 0.000 2.384 638 F HA 0.427 4.955 4.527 0.001 0.000 0.338 638 F C 0.371 176.183 175.800 0.020 0.000 1.103 638 F CA -0.744 57.258 58.000 0.004 0.000 1.157 638 F CB 1.307 40.295 39.000 -0.020 0.000 1.167 638 F HN 0.150 nan 8.300 nan 0.000 0.529 639 I N 3.377 124.007 120.570 0.101 0.000 2.488 639 I HA 0.141 4.311 4.170 0.001 0.000 0.299 639 I C 0.376 176.432 176.117 -0.102 0.000 0.984 639 I CA -0.402 60.843 61.300 -0.092 0.000 1.250 639 I CB 1.801 39.715 38.000 -0.143 0.000 1.389 639 I HN 0.405 nan 8.210 nan 0.000 0.488 640 V N 1.870 121.704 119.914 -0.132 0.000 3.645 640 V HA 0.061 4.182 4.120 0.001 0.000 0.275 640 V C 0.317 176.360 176.094 -0.085 0.000 1.356 640 V CA -0.115 62.138 62.300 -0.078 0.000 1.051 640 V CB -0.647 31.177 31.823 0.003 0.000 0.828 640 V HN 0.696 nan 8.190 nan 0.000 0.441 641 E N 3.055 123.193 120.200 -0.104 0.000 2.612 641 E HA -0.228 4.122 4.350 0.001 0.000 0.331 641 E C 1.127 177.687 176.600 -0.066 0.000 0.695 641 E CA 0.977 57.330 56.400 -0.078 0.000 1.220 641 E CB -0.023 29.628 29.700 -0.081 0.000 0.606 641 E HN 0.760 nan 8.360 nan 0.000 0.452 642 D N 2.321 122.694 120.400 -0.045 0.000 2.389 642 D HA -0.215 4.426 4.640 0.001 0.000 0.221 642 D C -0.278 175.996 176.300 -0.044 0.000 0.974 642 D CA 0.303 54.276 54.000 -0.046 0.000 0.923 642 D CB -0.056 40.739 40.800 -0.009 0.000 0.892 642 D HN 0.227 nan 8.370 nan 0.000 0.518 643 D N 1.781 122.157 120.400 -0.039 0.000 2.709 643 D HA -0.036 4.605 4.640 0.001 0.000 0.231 643 D C -0.107 176.173 176.300 -0.033 0.000 1.107 643 D CA 0.712 54.695 54.000 -0.029 0.000 1.329 643 D CB -0.230 40.553 40.800 -0.028 0.000 1.138 643 D HN 0.293 nan 8.370 nan 0.000 0.475 644 E N 0.173 120.355 120.200 -0.030 0.000 2.580 644 E HA 0.041 4.391 4.350 0.001 0.000 0.248 644 E C 0.708 177.306 176.600 -0.003 0.000 1.018 644 E CA -0.203 56.181 56.400 -0.028 0.000 0.775 644 E CB 1.048 30.714 29.700 -0.057 0.000 1.378 644 E HN 0.127 nan 8.360 nan 0.000 0.401 645 S N 2.183 117.884 115.700 0.001 0.000 2.528 645 S HA -0.083 4.387 4.470 0.001 0.000 0.244 645 S C 1.148 175.759 174.600 0.018 0.000 0.982 645 S CA 0.523 58.729 58.200 0.011 0.000 0.953 645 S CB -0.115 63.090 63.200 0.008 0.000 0.754 645 S HN 0.464 nan 8.310 nan 0.000 0.529 646 L N 1.829 123.063 121.223 0.019 0.000 2.959 646 L HA 0.574 4.915 4.340 0.001 0.000 0.236 646 L C 1.014 177.918 176.870 0.058 0.000 1.296 646 L CA -0.081 54.777 54.840 0.030 0.000 1.047 646 L CB -0.117 41.955 42.059 0.021 0.000 1.395 646 L HN 0.574 nan 8.230 nan 0.000 0.492 647 G N -0.749 108.098 108.800 0.077 0.000 2.236 647 G HA2 -0.122 3.839 3.960 0.001 0.000 0.231 647 G HA3 -0.122 3.839 3.960 0.001 0.000 0.231 647 G C -0.455 174.556 174.900 0.185 0.000 1.334 647 G CA -0.202 44.991 45.100 0.154 0.000 1.137 647 G HN 0.306 nan 8.290 nan 0.000 0.482 648 H N 0.940 120.024 119.070 0.024 0.000 3.109 648 H HA 0.734 5.290 4.556 0.001 0.000 0.190 648 H C 0.487 175.834 175.328 0.032 0.000 1.535 648 H CA 0.363 56.432 56.048 0.034 0.000 1.670 648 H CB -0.419 29.373 29.762 0.049 0.000 1.373 648 H HN 0.575 nan 8.280 nan 0.000 0.920 649 K N -0.137 120.157 120.400 -0.176 0.000 2.185 649 K HA 0.276 4.597 4.320 0.001 0.000 0.271 649 K C -0.691 175.640 176.600 -0.447 0.000 1.013 649 K CA -0.020 56.152 56.287 -0.191 0.000 0.943 649 K CB 0.559 33.072 32.500 0.022 0.000 0.998 649 K HN 0.683 nan 8.250 nan 0.000 0.468 650 E N 2.427 122.473 120.200 -0.256 0.000 2.388 650 E HA 0.174 4.525 4.350 0.001 0.000 0.282 650 E C -1.603 174.907 176.600 -0.149 0.000 1.026 650 E CA -0.494 55.763 56.400 -0.238 0.000 0.820 650 E CB 0.565 30.095 29.700 -0.284 0.000 1.226 650 E HN 0.444 nan 8.360 nan 0.000 0.432 651 L N 4.853 125.993 121.223 -0.137 0.000 2.640 651 L HA -0.002 4.338 4.340 0.001 0.000 0.280 651 L C 1.585 178.354 176.870 -0.169 0.000 1.229 651 L CA 0.372 55.117 54.840 -0.158 0.000 0.919 651 L CB 0.282 42.220 42.059 -0.202 0.000 1.168 651 L HN 0.670 nan 8.230 nan 0.000 0.496 652 K N 2.259 122.553 120.400 -0.177 0.000 2.097 652 K HA -0.065 4.255 4.320 0.001 0.000 0.206 652 K C 0.458 176.965 176.600 -0.154 0.000 1.049 652 K CA 0.792 56.990 56.287 -0.147 0.000 0.933 652 K CB 0.033 32.442 32.500 -0.153 0.000 0.717 652 K HN 0.390 nan 8.250 nan 0.000 0.442 653 V N 2.745 122.474 119.914 -0.308 0.000 2.740 653 V HA 0.008 4.128 4.120 0.001 0.000 0.303 653 V C 0.471 176.535 176.094 -0.050 0.000 1.054 653 V CA 0.154 62.273 62.300 -0.302 0.000 1.106 653 V CB 0.876 32.337 31.823 -0.604 0.000 0.957 653 V HN 0.239 nan 8.190 nan 0.000 0.486 654 R N 2.584 123.248 120.500 0.274 0.000 2.837 654 R HA 0.351 4.691 4.340 0.001 0.000 0.271 654 R C 0.606 176.934 176.300 0.046 0.000 0.993 654 R CA -1.075 55.069 56.100 0.072 0.000 0.931 654 R CB 0.983 31.289 30.300 0.011 0.000 1.206 654 R HN 0.593 nan 8.270 nan 0.000 0.474 655 K N 0.588 120.985 120.400 -0.005 0.000 2.588 655 K HA -0.129 4.192 4.320 0.001 0.000 0.196 655 K C 1.251 177.842 176.600 -0.015 0.000 1.044 655 K CA 1.633 57.919 56.287 -0.002 0.000 0.934 655 K CB -0.214 32.272 32.500 -0.023 0.000 0.773 655 K HN 0.739 nan 8.250 nan 0.000 0.489 656 G N -1.071 107.696 108.800 -0.055 0.000 2.556 656 G HA2 -0.119 3.841 3.960 0.001 0.000 0.209 656 G HA3 -0.119 3.841 3.960 0.001 0.000 0.209 656 G C 0.983 175.846 174.900 -0.061 0.000 1.159 656 G CA -0.102 44.934 45.100 -0.107 0.000 0.828 656 G HN 0.302 nan 8.290 nan 0.000 0.553 657 H N 0.786 119.883 119.070 0.045 0.000 2.319 657 H HA -0.063 4.494 4.556 0.001 0.000 0.297 657 H C 2.608 178.076 175.328 0.234 0.000 1.097 657 H CA 1.394 57.547 56.048 0.174 0.000 1.285 657 H CB -0.153 29.680 29.762 0.119 0.000 1.368 657 H HN 0.270 nan 8.280 nan 0.000 0.495 658 I N 0.631 121.353 120.570 0.254 0.000 2.058 658 I HA -0.291 3.879 4.170 0.001 0.000 0.235 658 I C 2.729 178.954 176.117 0.180 0.000 1.053 658 I CA 1.289 62.709 61.300 0.200 0.000 1.313 658 I CB -0.433 37.652 38.000 0.142 0.000 1.039 658 I HN 0.172 nan 8.210 nan 0.000 0.396 659 A N -0.156 122.732 122.820 0.114 0.000 2.186 659 A HA -0.255 4.065 4.320 0.001 0.000 0.219 659 A C 2.232 179.876 177.584 0.099 0.000 1.159 659 A CA 1.640 53.728 52.037 0.086 0.000 0.680 659 A CB -0.587 18.433 19.000 0.033 0.000 0.787 659 A HN 0.438 nan 8.150 nan 0.000 0.467 660 K N -0.963 119.517 120.400 0.134 0.000 2.379 660 K HA 0.271 4.591 4.320 0.001 0.000 0.194 660 K C 1.427 178.218 176.600 0.317 0.000 1.031 660 K CA 0.138 56.496 56.287 0.118 0.000 1.037 660 K CB -0.055 32.417 32.500 -0.047 0.000 0.824 660 K HN 0.500 nan 8.250 nan 0.000 0.516 661 L N 0.039 121.479 121.223 0.361 0.000 2.185 661 L HA 0.071 4.412 4.340 0.001 0.000 0.198 661 L C 2.168 179.184 176.870 0.244 0.000 1.079 661 L CA 0.474 55.520 54.840 0.343 0.000 0.780 661 L CB -0.113 42.102 42.059 0.260 0.000 0.955 661 L HN 0.152 nan 8.230 nan 0.000 0.462 662 M N -0.330 119.394 119.600 0.207 0.000 2.435 662 M HA -0.196 4.284 4.480 0.001 0.000 0.262 662 M C 2.202 178.610 176.300 0.180 0.000 1.065 662 M CA 1.434 56.844 55.300 0.183 0.000 1.076 662 M CB -0.485 32.206 32.600 0.151 0.000 1.403 662 M HN 0.330 nan 8.290 nan 0.000 0.454 663 A N -0.013 122.909 122.820 0.172 0.000 1.969 663 A HA -0.098 4.223 4.320 0.001 0.000 0.218 663 A C 2.137 179.841 177.584 0.200 0.000 1.169 663 A CA 1.858 53.990 52.037 0.160 0.000 0.635 663 A CB -0.785 18.288 19.000 0.122 0.000 0.810 663 A HN 0.458 nan 8.150 nan 0.000 0.445 664 T N -0.452 114.224 114.554 0.204 0.000 3.043 664 T HA -0.001 4.350 4.350 0.001 0.000 0.263 664 T C 1.591 176.397 174.700 0.177 0.000 1.094 664 T CA 1.000 63.214 62.100 0.190 0.000 1.127 664 T CB -0.013 68.979 68.868 0.207 0.000 0.905 664 T HN 0.580 nan 8.240 nan 0.000 0.490 665 E N 0.392 120.708 120.200 0.193 0.000 2.072 665 E HA -0.104 4.247 4.350 0.001 0.000 0.191 665 E C 1.786 178.492 176.600 0.178 0.000 0.985 665 E CA 0.796 57.301 56.400 0.175 0.000 0.801 665 E CB -0.199 29.611 29.700 0.183 0.000 0.750 665 E HN 0.486 nan 8.360 nan 0.000 0.452 666 Y N 1.969 122.314 120.300 0.074 0.000 2.256 666 Y HA -0.165 4.385 4.550 0.001 0.000 0.288 666 Y C 1.118 177.048 175.900 0.048 0.000 1.155 666 Y CA 1.308 59.442 58.100 0.056 0.000 1.203 666 Y CB 0.059 38.552 38.460 0.055 0.000 0.980 666 Y HN -0.047 nan 8.280 nan 0.000 0.530 667 Q N 1.762 121.589 119.800 0.044 0.000 3.179 667 Q HA 0.093 4.434 4.340 0.001 0.000 0.328 667 Q C -0.889 175.086 176.000 -0.042 0.000 1.336 667 Q CA 0.143 55.924 55.803 -0.037 0.000 0.939 667 Q CB -0.152 28.615 28.738 0.049 0.000 1.658 667 Q HN 0.394 nan 8.270 nan 0.000 0.486 679 Y N 3.424 123.779 120.300 0.091 0.000 2.686 679 Y HA 0.386 4.936 4.550 0.001 0.000 0.331 679 Y C 0.363 176.338 175.900 0.126 0.000 0.996 679 Y CA -0.556 57.602 58.100 0.095 0.000 1.293 679 Y CB 0.645 39.161 38.460 0.093 0.000 1.092 679 Y HN 0.220 nan 8.280 nan 0.000 0.524 680 T N 1.119 115.708 114.554 0.058 0.000 3.204 680 T HA 0.029 4.380 4.350 0.001 0.000 0.312 680 T C 1.128 175.839 174.700 0.019 0.000 1.254 680 T CA -0.109 62.038 62.100 0.078 0.000 0.913 680 T CB 0.181 69.140 68.868 0.151 0.000 2.143 680 T HN 0.718 nan 8.240 nan 0.000 0.569 681 W N 0.138 121.421 121.300 -0.029 0.000 2.539 681 W HA 0.032 4.692 4.660 0.001 0.000 0.299 681 W C 2.379 178.860 176.519 -0.063 0.000 1.165 681 W CA 0.866 58.190 57.345 -0.034 0.000 1.400 681 W CB -0.602 28.912 29.460 0.089 0.000 1.123 681 W HN 0.606 nan 8.180 nan 0.000 0.533 682 S N 1.082 116.845 115.700 0.106 0.000 2.400 682 S HA -0.298 4.173 4.470 0.001 0.000 0.234 682 S C 2.014 176.529 174.600 -0.141 0.000 1.049 682 S CA 2.538 60.727 58.200 -0.019 0.000 1.039 682 S CB -0.525 62.728 63.200 0.088 0.000 0.856 682 S HN 0.500 nan 8.310 nan 0.000 0.465 683 S N 1.495 117.118 115.700 -0.128 0.000 2.345 683 S HA -0.013 4.458 4.470 0.001 0.000 0.220 683 S C 1.724 176.175 174.600 -0.248 0.000 1.031 683 S CA 1.020 59.156 58.200 -0.108 0.000 0.996 683 S CB -0.762 62.430 63.200 -0.014 0.000 0.882 683 S HN 0.406 nan 8.310 nan 0.000 0.445 684 L N 0.602 121.548 121.223 -0.462 0.000 2.447 684 L HA -0.000 4.340 4.340 0.001 0.000 0.225 684 L C 2.307 178.838 176.870 -0.564 0.000 1.148 684 L CA 0.698 55.211 54.840 -0.545 0.000 0.808 684 L CB -0.493 41.148 42.059 -0.696 0.000 0.928 684 L HN 0.338 nan 8.230 nan 0.000 0.448 685 L N -1.002 119.896 121.223 -0.541 0.000 2.262 685 L HA 0.104 4.444 4.340 0.001 0.000 0.197 685 L C 1.719 178.418 176.870 -0.285 0.000 1.073 685 L CA 1.366 55.916 54.840 -0.483 0.000 0.800 685 L CB -0.418 41.327 42.059 -0.523 0.000 0.987 685 L HN 0.158 nan 8.230 nan 0.000 0.470 686 N N 0.766 119.349 118.700 -0.195 0.000 2.485 686 N HA -0.044 4.697 4.740 0.001 0.000 0.199 686 N C 0.150 175.610 175.510 -0.083 0.000 1.236 686 N CA 0.383 53.366 53.050 -0.112 0.000 0.852 686 N CB 0.055 38.507 38.487 -0.059 0.000 1.018 686 N HN 0.560 nan 8.380 nan 0.000 0.457 687 E N -0.427 119.704 120.200 -0.115 0.000 2.887 687 E HA 0.146 4.496 4.350 0.001 0.000 0.206 687 E C 0.029 176.554 176.600 -0.125 0.000 0.983 687 E CA -0.457 55.898 56.400 -0.075 0.000 1.141 687 E CB 0.355 30.044 29.700 -0.019 0.000 1.061 687 E HN 0.194 nan 8.360 nan 0.000 0.468 688 G N 1.769 110.481 108.800 -0.146 0.000 2.385 688 G HA2 -0.262 3.699 3.960 0.001 0.000 0.284 688 G HA3 -0.262 3.699 3.960 0.001 0.000 0.284 688 G C 0.557 175.350 174.900 -0.178 0.000 0.899 688 G CA 0.661 45.670 45.100 -0.152 0.000 1.204 688 G HN 0.389 nan 8.290 nan 0.000 0.486 689 L N -1.682 119.395 121.223 -0.244 0.000 2.717 689 L HA 0.312 4.652 4.340 0.001 0.000 0.239 689 L C 0.400 177.141 176.870 -0.214 0.000 1.086 689 L CA 0.130 54.802 54.840 -0.279 0.000 0.897 689 L CB 0.659 42.461 42.059 -0.428 0.000 1.214 689 L HN 0.174 nan 8.230 nan 0.000 0.508 690 V N -0.078 119.692 119.914 -0.241 0.000 2.733 690 V HA 0.334 4.454 4.120 0.001 0.000 0.306 690 V C -0.886 175.082 176.094 -0.211 0.000 1.084 690 V CA -0.712 61.488 62.300 -0.167 0.000 0.905 690 V CB 2.877 34.517 31.823 -0.305 0.000 1.010 690 V HN 0.041 nan 8.190 nan 0.000 0.424 691 E N 1.980 122.150 120.200 -0.050 0.000 2.244 691 E HA 0.503 4.854 4.350 0.001 0.000 0.266 691 E C -1.543 175.101 176.600 0.073 0.000 0.914 691 E CA -0.811 55.556 56.400 -0.054 0.000 0.794 691 E CB 2.151 31.896 29.700 0.074 0.000 1.210 691 E HN 0.710 nan 8.360 nan 0.000 0.414 692 Y N 2.828 123.119 120.300 -0.015 0.000 2.676 692 Y HA 0.285 4.835 4.550 0.001 0.000 0.338 692 Y C -0.005 175.875 175.900 -0.033 0.000 1.057 692 Y CA -0.698 57.392 58.100 -0.017 0.000 1.314 692 Y CB 0.421 38.718 38.460 -0.272 0.000 1.164 692 Y HN 0.234 nan 8.280 nan 0.000 0.509 693 I N 5.139 125.832 120.570 0.205 0.000 2.301 693 I HA 0.037 4.207 4.170 0.001 0.000 0.292 693 I C 0.318 176.551 176.117 0.194 0.000 1.046 693 I CA -0.519 60.850 61.300 0.115 0.000 1.282 693 I CB 0.395 38.391 38.000 -0.007 0.000 1.409 693 I HN 0.630 nan 8.210 nan 0.000 0.484 694 D N 6.127 126.644 120.400 0.194 0.000 2.425 694 D HA 0.159 4.799 4.640 0.001 0.000 0.274 694 D C 1.030 177.454 176.300 0.207 0.000 1.242 694 D CA -0.399 53.746 54.000 0.241 0.000 1.060 694 D CB 0.804 41.742 40.800 0.230 0.000 1.112 694 D HN 0.428 nan 8.370 nan 0.000 0.561 695 A N -0.623 122.332 122.820 0.224 0.000 1.897 695 A HA -0.141 4.180 4.320 0.001 0.000 0.215 695 A C 2.073 179.816 177.584 0.265 0.000 1.181 695 A CA 1.800 53.992 52.037 0.259 0.000 0.620 695 A CB -0.854 18.336 19.000 0.316 0.000 0.821 695 A HN 0.611 nan 8.150 nan 0.000 0.443 696 E N 0.344 120.676 120.200 0.221 0.000 2.033 696 E HA -0.236 4.114 4.350 0.001 0.000 0.199 696 E C 1.938 178.622 176.600 0.141 0.000 1.011 696 E CA 2.006 58.511 56.400 0.175 0.000 0.815 696 E CB -0.361 29.466 29.700 0.212 0.000 0.755 696 E HN 0.669 nan 8.360 nan 0.000 0.451 697 E N -0.079 120.196 120.200 0.124 0.000 2.085 697 E HA -0.264 4.087 4.350 0.001 0.000 0.194 697 E C 2.052 178.694 176.600 0.069 0.000 0.994 697 E CA 1.250 57.696 56.400 0.077 0.000 0.801 697 E CB -0.161 29.574 29.700 0.059 0.000 0.743 697 E HN 0.368 nan 8.360 nan 0.000 0.453 698 E N 0.313 120.565 120.200 0.087 0.000 2.169 698 E HA -0.281 4.070 4.350 0.001 0.000 0.202 698 E C 1.907 178.552 176.600 0.076 0.000 1.016 698 E CA 1.310 57.751 56.400 0.067 0.000 0.817 698 E CB 0.069 29.837 29.700 0.113 0.000 0.736 698 E HN 0.190 nan 8.360 nan 0.000 0.462 699 E N 0.154 120.426 120.200 0.120 0.000 2.147 699 E HA -0.171 4.179 4.350 0.001 0.000 0.199 699 E C 1.458 178.102 176.600 0.073 0.000 1.005 699 E CA 1.473 57.945 56.400 0.120 0.000 0.810 699 E CB -0.206 29.584 29.700 0.150 0.000 0.736 699 E HN 0.271 nan 8.360 nan 0.000 0.460 700 S N 0.219 115.956 115.700 0.062 0.000 2.577 700 S HA 0.412 4.883 4.470 0.001 0.000 0.239 700 S C 0.561 175.198 174.600 0.061 0.000 1.236 700 S CA -0.654 57.578 58.200 0.053 0.000 1.233 700 S CB -1.023 62.206 63.200 0.049 0.000 0.908 700 S HN 0.277 nan 8.310 nan 0.000 0.493 701 I N -2.728 117.877 120.570 0.058 0.000 3.181 701 I HA 0.785 4.955 4.170 0.001 0.000 0.311 701 I C -2.109 174.053 176.117 0.074 0.000 1.287 701 I CA -1.674 59.681 61.300 0.092 0.000 0.958 701 I CB 1.710 39.758 38.000 0.081 0.000 1.294 701 I HN 0.152 nan 8.210 nan 0.000 0.467 702 L N 3.254 124.548 121.223 0.118 0.000 2.362 702 L HA 0.756 5.096 4.340 0.001 0.000 0.271 702 L C -1.421 175.570 176.870 0.202 0.000 1.002 702 L CA -0.507 54.385 54.840 0.086 0.000 0.818 702 L CB 1.809 43.862 42.059 -0.010 0.000 1.298 702 L HN 0.613 nan 8.230 nan 0.000 0.420 703 I N 3.552 124.239 120.570 0.195 0.000 2.647 703 I HA 0.725 4.895 4.170 0.001 0.000 0.295 703 I C -0.358 175.921 176.117 0.269 0.000 1.078 703 I CA -0.874 60.562 61.300 0.226 0.000 1.048 703 I CB 2.059 40.112 38.000 0.088 0.000 1.239 703 I HN 0.780 nan 8.210 nan 0.000 0.421 704 A N 4.537 127.454 122.820 0.162 0.000 2.303 704 A HA 0.597 4.918 4.320 0.001 0.000 0.317 704 A C 0.404 177.929 177.584 -0.098 0.000 1.149 704 A CA -0.464 51.499 52.037 -0.123 0.000 0.822 704 A CB 1.299 19.902 19.000 -0.662 0.000 1.131 704 A HN 0.787 nan 8.150 nan 0.000 0.493 705 M N 0.567 120.094 119.600 -0.121 0.000 2.095 705 M HA 0.036 4.516 4.480 0.001 0.000 0.257 705 M C 0.895 177.110 176.300 -0.141 0.000 1.089 705 M CA 1.869 57.098 55.300 -0.118 0.000 1.138 705 M CB -0.459 32.062 32.600 -0.130 0.000 1.303 705 M HN 0.752 nan 8.290 nan 0.000 0.422 706 Q N 0.565 120.274 119.800 -0.151 0.000 2.241 706 Q HA 0.214 4.555 4.340 0.001 0.000 0.254 706 Q C -1.783 174.145 176.000 -0.121 0.000 0.917 706 Q CA -1.818 53.910 55.803 -0.125 0.000 0.919 706 Q CB 1.157 29.831 28.738 -0.107 0.000 1.237 706 Q HN 0.198 nan 8.270 nan 0.000 0.434 707 P HA -0.275 nan 4.420 nan 0.000 0.215 707 P C 0.132 177.385 177.300 -0.079 0.000 1.157 707 P CA 1.576 64.659 63.100 -0.029 0.000 0.868 707 P CB 0.345 32.087 31.700 0.069 0.000 0.788 708 E N 0.212 120.375 120.200 -0.063 0.000 3.840 708 E HA -0.110 4.240 4.350 0.001 0.000 0.562 708 E C 1.444 177.957 176.600 -0.145 0.000 0.276 708 E CA -0.147 56.207 56.400 -0.077 0.000 3.476 708 E CB -1.227 28.447 29.700 -0.043 0.000 2.293 708 E HN -0.075 nan 8.360 nan 0.000 0.336 709 D N 0.489 120.798 120.400 -0.151 0.000 7.473 709 D HA -0.250 4.391 4.640 0.001 0.000 0.210 709 D C 1.345 177.399 176.300 -0.409 0.000 2.038 709 D CA 1.816 55.673 54.000 -0.238 0.000 0.668 709 D CB -0.426 40.284 40.800 -0.150 0.000 0.663 709 D HN 0.315 nan 8.370 nan 0.000 0.943 710 L N 0.550 121.590 121.223 -0.305 0.000 2.998 710 L HA 0.115 4.455 4.340 0.001 0.000 0.234 710 L C 1.237 177.923 176.870 -0.306 0.000 1.350 710 L CA 0.077 54.735 54.840 -0.303 0.000 1.202 710 L CB 0.148 41.995 42.059 -0.354 0.000 1.583 710 L HN -0.048 nan 8.230 nan 0.000 0.456 711 E N -0.906 119.169 120.200 -0.210 0.000 3.383 711 E HA 0.156 4.506 4.350 0.001 0.000 0.256 711 E C -1.809 174.862 176.600 0.118 0.000 1.197 711 E CA -0.026 56.385 56.400 0.017 0.000 1.851 711 E CB -0.437 29.265 29.700 0.003 0.000 2.128 711 E HN 0.228 nan 8.360 nan 0.000 0.951 712 P HA 0.133 nan 4.420 nan 0.000 0.281 712 P C -0.059 177.231 177.300 -0.016 0.000 1.274 712 P CA 0.216 63.278 63.100 -0.063 0.000 0.794 712 P CB 0.545 32.207 31.700 -0.063 0.000 1.201 713 A N -0.712 122.088 122.820 -0.033 0.000 2.621 713 A HA 0.370 4.690 4.320 0.001 0.000 0.267 713 A C -0.012 177.645 177.584 0.122 0.000 1.506 713 A CA -0.295 51.767 52.037 0.042 0.000 0.873 713 A CB 0.016 18.997 19.000 -0.031 0.000 1.577 713 A HN 0.622 nan 8.150 nan 0.000 0.536 714 E N -0.942 119.305 120.200 0.077 0.000 2.373 714 E HA 0.524 4.874 4.350 0.001 0.000 0.251 714 E C -0.582 176.039 176.600 0.036 0.000 0.923 714 E CA -0.512 55.931 56.400 0.072 0.000 0.798 714 E CB 1.139 30.872 29.700 0.056 0.000 1.303 714 E HN 0.848 nan 8.360 nan 0.000 0.412 723 V N 3.141 123.069 119.914 0.023 0.000 2.481 723 V HA 0.266 4.386 4.120 0.001 0.000 0.286 723 V C 0.197 176.306 176.094 0.025 0.000 1.042 723 V CA -0.660 61.655 62.300 0.025 0.000 0.928 723 V CB 1.887 33.726 31.823 0.027 0.000 0.986 723 V HN 0.112 nan 8.190 nan 0.000 0.462 724 D N 6.296 126.712 120.400 0.027 0.000 2.520 724 D HA 0.035 4.675 4.640 0.001 0.000 0.243 724 D C -1.208 175.108 176.300 0.027 0.000 1.160 724 D CA -0.670 53.347 54.000 0.028 0.000 0.877 724 D CB 1.669 42.489 40.800 0.033 0.000 1.150 724 D HN 0.409 nan 8.370 nan 0.000 0.494 725 P HA 0.023 nan 4.420 nan 0.000 0.245 725 P C 0.419 177.733 177.300 0.024 0.000 1.212 725 P CA 0.217 63.331 63.100 0.022 0.000 0.774 725 P CB 0.564 32.275 31.700 0.019 0.000 0.999 726 A N 0.160 122.996 122.820 0.027 0.000 1.944 726 A HA 0.104 4.424 4.320 0.001 0.000 0.207 726 A C 1.392 178.996 177.584 0.034 0.000 1.265 726 A CA 0.310 52.364 52.037 0.028 0.000 0.712 726 A CB -0.355 18.662 19.000 0.028 0.000 0.915 726 A HN 0.060 nan 8.150 nan 0.000 0.470 727 K N 0.578 121.001 120.400 0.038 0.000 2.168 727 K HA 0.043 4.363 4.320 0.001 0.000 0.244 727 K C 0.995 177.621 176.600 0.043 0.000 1.065 727 K CA 0.412 56.726 56.287 0.046 0.000 0.808 727 K CB 0.142 32.671 32.500 0.048 0.000 1.080 727 K HN 0.608 nan 8.250 nan 0.000 0.526 728 R N 0.107 120.635 120.500 0.047 0.000 2.615 728 R HA 0.331 4.671 4.340 0.001 0.000 0.178 728 R C 0.140 176.461 176.300 0.034 0.000 0.958 728 R CA -0.261 55.863 56.100 0.040 0.000 1.275 728 R CB 0.007 30.332 30.300 0.041 0.000 1.207 728 R HN 0.449 nan 8.270 nan 0.000 0.535 729 I N 0.927 121.516 120.570 0.031 0.000 2.603 729 I HA 0.298 4.469 4.170 0.001 0.000 0.276 729 I C -0.726 175.407 176.117 0.027 0.000 1.133 729 I CA -0.435 60.882 61.300 0.029 0.000 1.070 729 I CB 1.700 39.716 38.000 0.026 0.000 1.215 729 I HN 0.486 nan 8.210 nan 0.000 0.487 730 R N 3.068 123.583 120.500 0.026 0.000 2.357 730 R HA 0.485 4.826 4.340 0.001 0.000 0.296 730 R C 0.676 176.991 176.300 0.025 0.000 1.052 730 R CA -0.447 55.664 56.100 0.019 0.000 0.988 730 R CB 1.922 32.229 30.300 0.010 0.000 1.025 730 R HN 0.295 nan 8.270 nan 0.000 0.469 731 V N 1.230 121.159 119.914 0.026 0.000 2.175 731 V HA -0.126 3.995 4.120 0.001 0.000 0.125 731 V C 0.777 176.889 176.094 0.029 0.000 0.740 731 V CA 0.847 63.169 62.300 0.037 0.000 1.325 731 V CB -0.070 31.780 31.823 0.045 0.000 0.794 731 V HN 0.777 nan 8.190 nan 0.000 0.417 732 S N -1.086 114.618 115.700 0.008 0.000 2.911 732 S HA 0.484 4.954 4.470 0.001 0.000 0.319 732 S C -0.376 174.245 174.600 0.035 0.000 1.154 732 S CA -0.308 57.852 58.200 -0.066 0.000 0.857 732 S CB 1.246 64.103 63.200 -0.571 0.000 1.279 732 S HN 0.842 nan 8.310 nan 0.000 0.593 733 H N 0.193 119.144 119.070 -0.199 0.000 2.481 733 H HA 0.330 4.886 4.556 0.001 0.000 0.273 733 H C -0.647 174.720 175.328 0.065 0.000 1.145 733 H CA -0.438 55.632 56.048 0.037 0.000 0.964 733 H CB -1.028 28.762 29.762 0.047 0.000 1.722 733 H HN 0.465 nan 8.280 nan 0.000 0.573 734 H N 1.998 121.073 119.070 0.009 0.000 4.160 734 H HA 0.477 5.033 4.556 0.001 0.000 0.191 734 H C 0.093 175.400 175.328 -0.036 0.000 1.546 734 H CA 0.608 56.626 56.048 -0.051 0.000 1.415 734 H CB -0.733 28.995 29.762 -0.057 0.000 1.703 734 H HN 0.699 nan 8.280 nan 0.000 0.771 735 A N 0.403 123.265 122.820 0.069 0.000 2.580 735 A HA 0.340 4.660 4.320 0.001 0.000 0.301 735 A C 0.065 177.583 177.584 -0.110 0.000 1.054 735 A CA -0.767 51.192 52.037 -0.130 0.000 0.751 735 A CB 0.736 19.494 19.000 -0.405 0.000 1.275 735 A HN 0.230 nan 8.150 nan 0.000 0.403 736 T N 1.850 116.342 114.554 -0.104 0.000 3.483 736 T HA 0.341 4.692 4.350 0.001 0.000 0.258 736 T C 0.482 175.153 174.700 -0.049 0.000 1.013 736 T CA 0.613 62.729 62.100 0.027 0.000 1.078 736 T CB -0.158 68.757 68.868 0.079 0.000 1.111 736 T HN 0.734 nan 8.240 nan 0.000 0.538 737 T N -0.368 114.043 114.554 -0.239 0.000 3.058 737 T HA 0.277 4.627 4.350 0.001 0.000 0.278 737 T C 0.479 175.112 174.700 -0.111 0.000 0.974 737 T CA -0.476 61.530 62.100 -0.157 0.000 0.893 737 T CB -0.152 68.613 68.868 -0.172 0.000 1.138 737 T HN 0.378 nan 8.240 nan 0.000 0.529 738 F N 4.081 124.051 119.950 0.033 0.000 2.417 738 F HA -0.046 4.482 4.527 0.001 0.000 0.412 738 F C 2.152 177.955 175.800 0.005 0.000 0.964 738 F CA 0.196 58.216 58.000 0.034 0.000 1.081 738 F CB -0.151 38.870 39.000 0.036 0.000 0.909 738 F HN 0.179 nan 8.300 nan 0.000 0.522 739 T N -0.322 114.339 114.554 0.178 0.000 2.852 739 T HA 0.016 4.367 4.350 0.001 0.000 0.256 739 T C 0.317 174.888 174.700 -0.215 0.000 1.038 739 T CA 0.804 62.901 62.100 -0.004 0.000 1.141 739 T CB -0.179 68.755 68.868 0.109 0.000 0.869 739 T HN 0.517 nan 8.240 nan 0.000 0.439 740 H N -1.069 118.084 119.070 0.138 0.000 2.864 740 H HA 0.776 5.332 4.556 0.001 0.000 0.354 740 H C -1.043 174.360 175.328 0.125 0.000 1.208 740 H CA -1.287 54.834 56.048 0.123 0.000 1.191 740 H CB 1.435 31.259 29.762 0.104 0.000 1.889 740 H HN 0.364 nan 8.280 nan 0.000 0.574 741 C N 0.717 120.171 119.300 0.258 0.000 2.797 741 C HA 0.463 4.923 4.460 0.001 0.000 0.306 741 C C -0.553 174.473 174.990 0.061 0.000 1.207 741 C CA -0.467 58.635 59.018 0.139 0.000 1.507 741 C CB 1.012 28.836 27.740 0.140 0.000 2.028 741 C HN 0.925 nan 8.230 nan 0.000 0.475 742 E N 3.099 123.285 120.200 -0.024 0.000 2.290 742 E HA 0.237 4.588 4.350 0.001 0.000 0.277 742 E C 1.305 177.725 176.600 -0.301 0.000 1.035 742 E CA -0.211 56.125 56.400 -0.107 0.000 0.873 742 E CB 0.507 30.191 29.700 -0.026 0.000 1.029 742 E HN 0.503 nan 8.360 nan 0.000 0.419 743 I N 2.393 122.670 120.570 -0.487 0.000 2.087 743 I HA -0.226 3.944 4.170 0.001 0.000 0.240 743 I C 0.749 176.665 176.117 -0.335 0.000 1.054 743 I CA 1.772 62.667 61.300 -0.675 0.000 1.311 743 I CB -1.034 36.675 38.000 -0.486 0.000 1.024 743 I HN 0.616 nan 8.210 nan 0.000 0.402 744 H N -0.095 118.767 119.070 -0.348 0.000 3.151 744 H HA 0.208 4.765 4.556 0.001 0.000 0.333 744 H C -2.058 173.191 175.328 -0.133 0.000 1.093 744 H CA -0.884 54.984 56.048 -0.300 0.000 1.342 744 H CB 2.045 31.465 29.762 -0.571 0.000 1.983 744 H HN -0.265 nan 8.280 nan 0.000 0.503 745 P HA -0.169 nan 4.420 nan 0.000 0.218 745 P C 1.166 178.533 177.300 0.112 0.000 1.149 745 P CA 1.645 64.661 63.100 -0.140 0.000 0.817 745 P CB 0.161 31.608 31.700 -0.421 0.000 0.785 746 S N -1.088 114.874 115.700 0.437 0.000 2.512 746 S HA -0.127 4.343 4.470 0.001 0.000 0.253 746 S C 1.625 176.389 174.600 0.274 0.000 0.984 746 S CA 0.956 59.494 58.200 0.563 0.000 0.962 746 S CB -1.094 62.536 63.200 0.717 0.000 0.747 746 S HN -0.011 nan 8.310 nan 0.000 0.525 747 M N 1.364 121.055 119.600 0.151 0.000 2.561 747 M HA 0.326 4.807 4.480 0.001 0.000 0.238 747 M C 1.592 177.849 176.300 -0.072 0.000 1.131 747 M CA 0.053 55.388 55.300 0.059 0.000 1.046 747 M CB -1.120 31.507 32.600 0.045 0.000 1.532 747 M HN 0.561 nan 8.290 nan 0.000 0.497 748 I N -1.980 118.475 120.570 -0.193 0.000 3.001 748 I HA -0.029 4.141 4.170 0.001 0.000 0.268 748 I C 0.749 176.733 176.117 -0.222 0.000 1.267 748 I CA 0.240 61.293 61.300 -0.412 0.000 1.472 748 I CB -0.474 37.046 38.000 -0.799 0.000 1.089 748 I HN 0.010 nan 8.210 nan 0.000 0.468 749 L N 1.636 122.801 121.223 -0.096 0.000 2.439 749 L HA 0.577 4.917 4.340 0.001 0.000 0.261 749 L C 0.664 177.503 176.870 -0.050 0.000 1.153 749 L CA -0.367 54.437 54.840 -0.061 0.000 0.808 749 L CB 0.900 42.947 42.059 -0.021 0.000 1.126 749 L HN 0.144 nan 8.230 nan 0.000 0.460 750 G N -0.205 108.560 108.800 -0.059 0.000 2.473 750 G HA2 0.454 4.415 3.960 0.001 0.000 0.321 750 G HA3 0.454 4.415 3.960 0.001 0.000 0.321 750 G C 0.802 175.665 174.900 -0.062 0.000 1.200 750 G CA -0.607 44.459 45.100 -0.056 0.000 0.963 750 G HN 0.442 nan 8.290 nan 0.000 0.483 751 V N 1.597 121.471 119.914 -0.066 0.000 2.279 751 V HA -0.437 3.684 4.120 0.001 0.000 0.258 751 V C 3.296 179.336 176.094 -0.091 0.000 1.078 751 V CA 3.377 65.629 62.300 -0.081 0.000 1.096 751 V CB -1.635 30.140 31.823 -0.081 0.000 0.740 751 V HN 1.023 nan 8.190 nan 0.000 0.465 752 A N 0.210 122.981 122.820 -0.082 0.000 1.862 752 A HA -0.259 4.061 4.320 0.001 0.000 0.217 752 A C 2.479 180.001 177.584 -0.104 0.000 1.251 752 A CA 3.811 55.797 52.037 -0.084 0.000 0.673 752 A CB -1.469 17.491 19.000 -0.067 0.000 0.843 752 A HN 1.044 nan 8.150 nan 0.000 0.458 753 A N -0.986 121.782 122.820 -0.088 0.000 1.927 753 A HA -0.186 4.134 4.320 0.001 0.000 0.220 753 A C 2.341 179.856 177.584 -0.115 0.000 1.185 753 A CA 2.517 54.499 52.037 -0.092 0.000 0.639 753 A CB -1.260 17.697 19.000 -0.071 0.000 0.820 753 A HN 0.633 nan 8.150 nan 0.000 0.451 754 S N -0.460 115.176 115.700 -0.107 0.000 2.461 754 S HA -0.169 4.301 4.470 0.001 0.000 0.246 754 S C 1.412 175.898 174.600 -0.190 0.000 1.007 754 S CA 1.630 59.763 58.200 -0.112 0.000 0.976 754 S CB -0.579 62.573 63.200 -0.080 0.000 0.763 754 S HN 0.625 nan 8.310 nan 0.000 0.508 755 I N 0.390 120.807 120.570 -0.255 0.000 3.603 755 I HA 0.160 4.331 4.170 0.001 0.000 0.297 755 I C 0.218 176.163 176.117 -0.287 0.000 1.269 755 I CA 0.170 61.241 61.300 -0.381 0.000 1.361 755 I CB -0.109 37.578 38.000 -0.522 0.000 1.063 755 I HN 0.114 nan 8.210 nan 0.000 0.448 756 I N 4.922 125.358 120.570 -0.225 0.000 2.517 756 I HA 0.121 4.292 4.170 0.001 0.000 0.285 756 I C -2.080 173.917 176.117 -0.200 0.000 1.106 756 I CA -1.623 59.541 61.300 -0.226 0.000 1.402 756 I CB 0.002 37.899 38.000 -0.173 0.000 1.399 756 I HN -0.149 nan 8.210 nan 0.000 0.535 757 P HA 0.138 nan 4.420 nan 0.000 0.281 757 P C -0.020 177.226 177.300 -0.090 0.000 1.252 757 P CA -0.110 62.806 63.100 -0.307 0.000 0.778 757 P CB 0.535 32.012 31.700 -0.373 0.000 0.895 758 F N 0.772 120.762 119.950 0.067 0.000 3.034 758 F HA -0.187 4.340 4.527 0.001 0.000 0.286 758 F C -0.673 175.220 175.800 0.156 0.000 0.804 758 F CA -0.279 57.822 58.000 0.167 0.000 1.161 758 F CB -2.043 37.054 39.000 0.163 0.000 1.317 758 F HN 0.325 nan 8.300 nan 0.000 0.453 759 P HA -0.226 nan 4.420 nan 0.000 0.219 759 P C 0.647 177.964 177.300 0.030 0.000 1.147 759 P CA 2.224 65.363 63.100 0.065 0.000 0.821 759 P CB -0.218 31.452 31.700 -0.050 0.000 0.771 760 D N -1.446 118.934 120.400 -0.034 0.000 2.870 760 D HA -0.051 4.590 4.640 0.001 0.000 0.241 760 D C 0.563 176.689 176.300 -0.290 0.000 1.234 760 D CA -0.164 53.746 54.000 -0.151 0.000 0.844 760 D CB -0.799 39.855 40.800 -0.244 0.000 1.051 760 D HN 0.360 nan 8.370 nan 0.000 0.469 761 H N -0.551 118.554 119.070 0.060 0.000 3.627 761 H HA 0.153 4.710 4.556 0.001 0.000 0.262 761 H C -0.364 174.989 175.328 0.041 0.000 1.166 761 H CA -0.404 55.670 56.048 0.044 0.000 1.122 761 H CB 0.665 30.455 29.762 0.047 0.000 1.787 761 H HN 0.111 nan 8.280 nan 0.000 0.783 762 N N 1.118 119.900 118.700 0.136 0.000 2.328 762 N HA 0.087 4.827 4.740 0.001 0.000 0.299 762 N C -0.065 175.462 175.510 0.029 0.000 1.179 762 N CA -0.572 52.529 53.050 0.086 0.000 0.793 762 N CB 2.064 40.623 38.487 0.119 0.000 1.366 762 N HN 0.147 nan 8.380 nan 0.000 0.493 763 Q N 0.869 120.666 119.800 -0.004 0.000 2.244 763 Q HA -0.023 4.318 4.340 0.001 0.000 0.276 763 Q C 1.100 177.068 176.000 -0.053 0.000 1.122 763 Q CA 0.255 56.039 55.803 -0.032 0.000 0.920 763 Q CB 0.342 29.047 28.738 -0.055 0.000 1.186 763 Q HN 0.718 nan 8.270 nan 0.000 0.393 764 S N 5.062 120.743 115.700 -0.032 0.000 2.615 764 S HA -0.232 4.239 4.470 0.001 0.000 0.330 764 S C -0.775 173.783 174.600 -0.071 0.000 1.300 764 S CA 2.250 60.431 58.200 -0.033 0.000 1.166 764 S CB -0.857 62.331 63.200 -0.020 0.000 1.246 764 S HN 0.865 nan 8.310 nan 0.000 0.442 765 P HA -0.046 nan 4.420 nan 0.000 0.219 765 P C 1.210 178.265 177.300 -0.407 0.000 1.150 765 P CA 0.914 63.877 63.100 -0.228 0.000 0.814 765 P CB -0.260 31.288 31.700 -0.254 0.000 0.787 766 R N 0.150 120.441 120.500 -0.349 0.000 2.185 766 R HA -0.096 4.245 4.340 0.001 0.000 0.247 766 R C 1.823 178.046 176.300 -0.129 0.000 1.159 766 R CA 0.885 56.802 56.100 -0.305 0.000 0.988 766 R CB -1.163 29.073 30.300 -0.107 0.000 0.871 766 R HN 0.354 nan 8.270 nan 0.000 0.458 767 N N -0.504 118.148 118.700 -0.081 0.000 2.251 767 N HA -0.059 4.681 4.740 0.001 0.000 0.181 767 N C 1.523 177.036 175.510 0.005 0.000 1.019 767 N CA 1.364 54.399 53.050 -0.026 0.000 0.862 767 N CB -0.455 38.017 38.487 -0.024 0.000 0.992 767 N HN 0.119 nan 8.380 nan 0.000 0.429 768 T N 1.000 115.557 114.554 0.004 0.000 2.822 768 T HA -0.130 4.220 4.350 0.001 0.000 0.270 768 T C 1.682 176.528 174.700 0.244 0.000 1.064 768 T CA 1.131 63.287 62.100 0.094 0.000 1.131 768 T CB -0.321 68.616 68.868 0.115 0.000 0.858 768 T HN 0.406 nan 8.240 nan 0.000 0.483 769 Y N 0.778 121.065 120.300 -0.023 0.000 2.138 769 Y HA -0.104 4.447 4.550 0.001 0.000 0.286 769 Y C 3.018 178.901 175.900 -0.029 0.000 1.115 769 Y CA 0.463 58.549 58.100 -0.022 0.000 1.105 769 Y CB -0.318 38.138 38.460 -0.007 0.000 1.004 769 Y HN 0.087 nan 8.280 nan 0.000 0.494 770 Q N 1.170 121.064 119.800 0.155 0.000 2.268 770 Q HA -0.159 4.181 4.340 0.001 0.000 0.210 770 Q C 1.241 177.246 176.000 0.008 0.000 0.988 770 Q CA 1.758 57.590 55.803 0.048 0.000 0.883 770 Q CB -0.487 28.238 28.738 -0.023 0.000 0.911 770 Q HN 0.145 nan 8.270 nan 0.000 0.430 771 S N -0.670 115.038 115.700 0.014 0.000 2.967 771 S HA 0.439 4.909 4.470 0.001 0.000 0.254 771 S C 0.460 175.049 174.600 -0.018 0.000 1.089 771 S CA 0.285 58.475 58.200 -0.017 0.000 1.183 771 S CB -0.056 63.133 63.200 -0.017 0.000 0.848 771 S HN 0.527 nan 8.310 nan 0.000 0.477 772 A N 0.091 122.901 122.820 -0.017 0.000 2.011 772 A HA 0.324 4.644 4.320 0.001 0.000 0.170 772 A C 1.302 178.853 177.584 -0.056 0.000 1.938 772 A CA -0.194 51.816 52.037 -0.046 0.000 1.498 772 A CB -0.226 18.743 19.000 -0.051 0.000 1.619 772 A HN 0.434 nan 8.150 nan 0.000 0.343 773 M N 0.464 120.048 119.600 -0.026 0.000 2.506 773 M HA 0.087 4.568 4.480 0.001 0.000 0.260 773 M C 2.045 178.333 176.300 -0.020 0.000 1.104 773 M CA 1.081 56.365 55.300 -0.026 0.000 1.112 773 M CB -0.038 32.570 32.600 0.013 0.000 1.401 773 M HN 0.496 nan 8.290 nan 0.000 0.473 774 G N 1.534 110.329 108.800 -0.009 0.000 2.418 774 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 774 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 774 G C 1.469 176.382 174.900 0.022 0.000 1.158 774 G CA 0.544 45.657 45.100 0.020 0.000 0.771 774 G HN 0.438 nan 8.290 nan 0.000 0.545 775 K N 0.131 120.512 120.400 -0.031 0.000 2.555 775 K HA 0.059 4.380 4.320 0.001 0.000 0.193 775 K C 1.715 178.224 176.600 -0.153 0.000 1.032 775 K CA 0.506 56.760 56.287 -0.056 0.000 1.004 775 K CB 0.161 32.601 32.500 -0.099 0.000 0.804 775 K HN 0.361 nan 8.250 nan 0.000 0.496 776 Q N -0.175 119.514 119.800 -0.185 0.000 2.164 776 Q HA 0.221 4.562 4.340 0.001 0.000 0.226 776 Q C -0.276 175.570 176.000 -0.256 0.000 0.813 776 Q CA -0.379 55.173 55.803 -0.419 0.000 0.978 776 Q CB 1.348 29.895 28.738 -0.317 0.000 1.149 776 Q HN 0.195 nan 8.270 nan 0.000 0.489 777 A N 0.917 123.741 122.820 0.007 0.000 2.302 777 A HA 0.509 4.829 4.320 0.001 0.000 0.285 777 A C -0.003 177.771 177.584 0.317 0.000 1.105 777 A CA -0.308 51.815 52.037 0.142 0.000 0.816 777 A CB 0.453 19.538 19.000 0.141 0.000 1.067 777 A HN 0.194 nan 8.150 nan 0.000 0.489 778 M N 1.019 120.797 119.600 0.296 0.000 2.255 778 M HA 0.495 4.975 4.480 0.001 0.000 0.336 778 M C 0.925 177.329 176.300 0.174 0.000 1.135 778 M CA 0.841 56.297 55.300 0.261 0.000 1.145 778 M CB 1.369 34.092 32.600 0.204 0.000 1.473 778 M HN 1.000 nan 8.290 nan 0.000 0.462 779 G N 0.831 109.694 108.800 0.106 0.000 2.725 779 G HA2 0.415 4.375 3.960 0.001 0.000 0.098 779 G HA3 0.415 4.375 3.960 0.001 0.000 0.098 779 G C -1.769 173.132 174.900 0.003 0.000 1.188 779 G CA -0.468 44.669 45.100 0.061 0.000 1.237 779 G HN 0.514 nan 8.290 nan 0.000 0.596 780 V N 2.124 122.025 119.914 -0.021 0.000 2.445 780 V HA 0.333 4.454 4.120 0.001 0.000 0.283 780 V C 0.622 176.674 176.094 -0.069 0.000 1.014 780 V CA -0.347 61.886 62.300 -0.112 0.000 0.852 780 V CB 0.600 32.344 31.823 -0.131 0.000 1.021 780 V HN 0.863 nan 8.190 nan 0.000 0.435 781 F N 3.594 123.543 119.950 -0.002 0.000 2.365 781 F HA 0.442 4.970 4.527 0.001 0.000 0.300 781 F C 0.309 176.187 175.800 0.130 0.000 1.090 781 F CA 0.683 58.724 58.000 0.069 0.000 1.408 781 F CB -0.084 38.919 39.000 0.005 0.000 1.060 781 F HN 0.259 nan 8.300 nan 0.000 0.534 782 L N -0.963 120.041 121.223 -0.366 0.000 2.999 782 L HA 0.204 4.544 4.340 0.001 0.000 0.274 782 L C 0.757 177.443 176.870 -0.308 0.000 1.044 782 L CA -0.080 54.656 54.840 -0.173 0.000 0.943 782 L CB 1.891 43.941 42.059 -0.014 0.000 1.522 782 L HN -0.009 nan 8.230 nan 0.000 0.400 783 T N -4.123 110.315 114.554 -0.193 0.000 3.037 783 T HA -0.026 4.325 4.350 0.001 0.000 0.252 783 T C 0.986 175.453 174.700 -0.388 0.000 1.073 783 T CA 0.480 62.436 62.100 -0.239 0.000 1.091 783 T CB -0.270 68.523 68.868 -0.126 0.000 0.935 783 T HN 0.654 nan 8.240 nan 0.000 0.488 784 N N 1.741 120.257 118.700 -0.305 0.000 2.485 784 N HA -0.083 4.657 4.740 0.001 0.000 0.199 784 N C 1.424 176.773 175.510 -0.267 0.000 1.236 784 N CA 0.141 53.019 53.050 -0.287 0.000 0.852 784 N CB -0.746 37.631 38.487 -0.184 0.000 1.018 784 N HN 0.697 nan 8.380 nan 0.000 0.457 785 Y N 0.581 120.686 120.300 -0.324 0.000 2.256 785 Y HA -0.071 4.479 4.550 0.001 0.000 0.288 785 Y C 1.708 177.449 175.900 -0.266 0.000 1.155 785 Y CA 1.164 59.055 58.100 -0.348 0.000 1.203 785 Y CB -1.308 36.764 38.460 -0.647 0.000 0.980 785 Y HN 0.015 nan 8.280 nan 0.000 0.530 786 N N 0.276 118.621 118.700 -0.591 0.000 2.573 786 N HA -0.066 4.675 4.740 0.001 0.000 0.187 786 N C 0.314 175.765 175.510 -0.099 0.000 1.107 786 N CA 1.096 53.984 53.050 -0.271 0.000 0.918 786 N CB -0.020 38.225 38.487 -0.403 0.000 0.966 786 N HN 0.349 nan 8.380 nan 0.000 0.448 787 V N -0.563 119.289 119.914 -0.103 0.000 3.166 787 V HA 0.316 4.436 4.120 0.001 0.000 0.332 787 V C 0.147 176.243 176.094 0.004 0.000 1.434 787 V CA -0.292 61.983 62.300 -0.041 0.000 1.121 787 V CB -0.050 31.733 31.823 -0.066 0.000 1.062 787 V HN 0.062 nan 8.190 nan 0.000 0.489 788 R N 0.929 121.450 120.500 0.036 0.000 2.445 788 R HA 0.591 4.932 4.340 0.001 0.000 0.308 788 R C -0.461 175.886 176.300 0.079 0.000 0.961 788 R CA -0.626 55.519 56.100 0.075 0.000 0.862 788 R CB 1.710 32.097 30.300 0.145 0.000 1.144 788 R HN 0.093 nan 8.270 nan 0.000 0.447 789 M N 3.627 123.270 119.600 0.071 0.000 3.494 789 M HA 0.140 4.621 4.480 0.001 0.000 0.213 789 M C -1.038 175.290 176.300 0.047 0.000 1.255 789 M CA -0.800 54.540 55.300 0.067 0.000 1.360 789 M CB -0.378 32.266 32.600 0.073 0.000 1.138 789 M HN 0.473 nan 8.290 nan 0.000 0.615 790 D N 0.135 120.553 120.400 0.030 0.000 2.193 790 D HA 0.312 4.952 4.640 0.001 0.000 0.244 790 D C 0.141 176.417 176.300 -0.041 0.000 1.064 790 D CA -0.484 53.507 54.000 -0.016 0.000 0.845 790 D CB 0.617 41.380 40.800 -0.061 0.000 1.148 790 D HN 0.239 nan 8.370 nan 0.000 0.464 791 T N 0.197 114.715 114.554 -0.060 0.000 2.831 791 T HA 0.189 4.539 4.350 0.001 0.000 0.291 791 T C 0.852 175.506 174.700 -0.075 0.000 0.981 791 T CA -0.715 61.329 62.100 -0.093 0.000 1.174 791 T CB -0.147 68.663 68.868 -0.097 0.000 0.929 791 T HN 0.674 nan 8.240 nan 0.000 0.532 792 M N 1.539 121.096 119.600 -0.071 0.000 4.047 792 M HA -0.075 4.406 4.480 0.001 0.000 0.157 792 M C -0.627 175.694 176.300 0.034 0.000 1.532 792 M CA 0.943 56.272 55.300 0.048 0.000 1.097 792 M CB -1.015 31.662 32.600 0.128 0.000 1.346 792 M HN 1.475 nan 8.290 nan 0.000 0.190 793 A N 5.156 128.063 122.820 0.145 0.000 2.547 793 A HA 0.715 5.036 4.320 0.001 0.000 0.298 793 A C -1.369 176.328 177.584 0.189 0.000 1.062 793 A CA -0.892 51.163 52.037 0.030 0.000 0.748 793 A CB 1.313 20.323 19.000 0.017 0.000 1.288 793 A HN 0.761 nan 8.150 nan 0.000 0.396 794 N N 0.950 119.639 118.700 -0.020 0.000 2.372 794 N HA 0.667 5.408 4.740 0.001 0.000 0.291 794 N C -1.537 173.945 175.510 -0.048 0.000 1.024 794 N CA -0.236 52.822 53.050 0.013 0.000 0.873 794 N CB 1.929 40.331 38.487 -0.141 0.000 1.206 794 N HN 0.485 nan 8.380 nan 0.000 0.486 795 I N 2.210 122.767 120.570 -0.022 0.000 2.447 795 I HA 0.197 4.368 4.170 0.001 0.000 0.287 795 I C -0.554 175.587 176.117 0.040 0.000 1.023 795 I CA -0.703 60.530 61.300 -0.112 0.000 1.083 795 I CB 1.695 39.433 38.000 -0.438 0.000 1.245 795 I HN 0.309 nan 8.210 nan 0.000 0.434 796 L N 8.119 129.376 121.223 0.057 0.000 2.500 796 L HA 0.109 4.449 4.340 0.001 0.000 0.272 796 L C 0.647 177.632 176.870 0.192 0.000 1.149 796 L CA 0.675 55.590 54.840 0.126 0.000 0.897 796 L CB -0.384 41.743 42.059 0.114 0.000 1.178 796 L HN 0.510 nan 8.230 nan 0.000 0.473 797 Y N 5.412 125.713 120.300 0.001 0.000 1.938 797 Y HA -0.292 4.259 4.550 0.001 0.000 0.253 797 Y C 0.629 176.654 175.900 0.208 0.000 1.163 797 Y CA 1.872 59.957 58.100 -0.024 0.000 1.086 797 Y CB -0.705 37.566 38.460 -0.314 0.000 0.928 797 Y HN 0.518 nan 8.280 nan 0.000 0.493 798 Y N 1.077 121.477 120.300 0.166 0.000 2.841 798 Y HA 0.287 4.837 4.550 0.001 0.000 0.329 798 Y C -2.126 173.766 175.900 -0.012 0.000 1.062 798 Y CA -2.875 55.252 58.100 0.044 0.000 1.281 798 Y CB 0.435 38.912 38.460 0.028 0.000 1.147 798 Y HN 0.030 nan 8.280 nan 0.000 0.521 799 P HA 0.178 nan 4.420 nan 0.000 0.274 799 P C -1.031 176.281 177.300 0.021 0.000 1.256 799 P CA -0.254 62.875 63.100 0.049 0.000 0.795 799 P CB 0.770 32.469 31.700 -0.001 0.000 1.038 800 Q N -0.295 119.522 119.800 0.029 0.000 2.313 800 Q HA 0.195 4.535 4.340 0.001 0.000 0.260 800 Q C -0.875 175.080 176.000 -0.076 0.000 0.972 800 Q CA -0.990 54.810 55.803 -0.006 0.000 0.886 800 Q CB 2.147 30.909 28.738 0.041 0.000 1.373 800 Q HN 0.380 nan 8.270 nan 0.000 0.416 801 K N 1.689 121.986 120.400 -0.171 0.000 2.401 801 K HA 0.309 4.629 4.320 0.001 0.000 0.278 801 K C -2.276 174.094 176.600 -0.385 0.000 1.018 801 K CA -1.147 54.978 56.287 -0.271 0.000 0.981 801 K CB 0.195 32.576 32.500 -0.197 0.000 0.933 801 K HN 0.152 nan 8.250 nan 0.000 0.477 802 P HA -0.046 nan 4.420 nan 0.000 0.269 802 P C 0.353 177.448 177.300 -0.341 0.000 1.215 802 P CA -0.172 62.449 63.100 -0.799 0.000 0.780 802 P CB 0.792 31.911 31.700 -0.968 0.000 0.898 803 L N 1.222 122.306 121.223 -0.230 0.000 2.072 803 L HA 0.055 4.395 4.340 0.001 0.000 0.205 803 L C 1.714 178.502 176.870 -0.136 0.000 1.079 803 L CA 1.313 56.070 54.840 -0.138 0.000 0.752 803 L CB -0.951 41.056 42.059 -0.086 0.000 0.906 803 L HN 0.495 nan 8.230 nan 0.000 0.436 804 G N -0.104 108.604 108.800 -0.154 0.000 2.353 804 G HA2 0.459 4.419 3.960 0.001 0.000 0.284 804 G HA3 0.459 4.419 3.960 0.001 0.000 0.284 804 G C -0.291 174.478 174.900 -0.219 0.000 1.172 804 G CA 0.080 45.071 45.100 -0.182 0.000 0.854 804 G HN 0.182 nan 8.290 nan 0.000 0.485 805 T N -1.531 112.891 114.554 -0.220 0.000 2.778 805 T HA 0.767 5.118 4.350 0.001 0.000 0.293 805 T C -0.536 174.038 174.700 -0.211 0.000 1.144 805 T CA -0.786 61.192 62.100 -0.204 0.000 1.010 805 T CB 2.207 70.984 68.868 -0.152 0.000 1.325 805 T HN 0.367 nan 8.240 nan 0.000 0.515 806 T N 1.218 115.659 114.554 -0.190 0.000 2.879 806 T HA 0.388 4.738 4.350 0.001 0.000 0.290 806 T C 1.193 175.776 174.700 -0.195 0.000 0.993 806 T CA -0.939 61.059 62.100 -0.171 0.000 0.975 806 T CB 1.756 70.533 68.868 -0.151 0.000 0.981 806 T HN 0.578 nan 8.240 nan 0.000 0.439 807 R N 1.861 122.180 120.500 -0.301 0.000 2.204 807 R HA -0.163 4.178 4.340 0.001 0.000 0.253 807 R C 2.213 178.317 176.300 -0.327 0.000 1.172 807 R CA 1.468 57.225 56.100 -0.572 0.000 0.994 807 R CB -1.014 28.434 30.300 -1.419 0.000 0.874 807 R HN 0.712 nan 8.270 nan 0.000 0.462 808 A N 1.066 123.796 122.820 -0.151 0.000 2.015 808 A HA -0.091 4.229 4.320 0.001 0.000 0.219 808 A C 2.263 179.934 177.584 0.146 0.000 1.163 808 A CA 1.136 53.228 52.037 0.093 0.000 0.646 808 A CB -0.380 18.666 19.000 0.076 0.000 0.806 808 A HN 0.214 nan 8.150 nan 0.000 0.448 809 M N -1.010 118.582 119.600 -0.013 0.000 2.159 809 M HA -0.188 4.293 4.480 0.001 0.000 0.263 809 M C 2.056 178.351 176.300 -0.009 0.000 1.063 809 M CA 1.810 57.095 55.300 -0.026 0.000 1.110 809 M CB -0.507 32.058 32.600 -0.058 0.000 1.374 809 M HN 0.586 nan 8.290 nan 0.000 0.411 810 E N 0.374 120.501 120.200 -0.120 0.000 2.169 810 E HA -0.241 4.110 4.350 0.001 0.000 0.202 810 E C 1.395 177.714 176.600 -0.468 0.000 1.016 810 E CA 1.798 57.981 56.400 -0.362 0.000 0.817 810 E CB 0.006 29.326 29.700 -0.633 0.000 0.736 810 E HN 0.645 nan 8.360 nan 0.000 0.462 811 Y N -0.884 119.371 120.300 -0.075 0.000 2.510 811 Y HA 0.153 4.704 4.550 0.001 0.000 0.273 811 Y C 1.686 177.461 175.900 -0.208 0.000 1.119 811 Y CA 0.166 58.157 58.100 -0.182 0.000 1.286 811 Y CB 0.170 38.373 38.460 -0.428 0.000 1.061 811 Y HN -0.029 nan 8.280 nan 0.000 0.542 812 L N 0.516 121.753 121.223 0.025 0.000 2.627 812 L HA 0.080 4.420 4.340 0.001 0.000 0.232 812 L C 0.054 177.048 176.870 0.208 0.000 1.150 812 L CA 0.025 54.910 54.840 0.075 0.000 0.917 812 L CB -0.222 41.861 42.059 0.040 0.000 1.104 812 L HN 0.003 nan 8.230 nan 0.000 0.445 813 K N -0.153 120.305 120.400 0.097 0.000 3.730 813 K HA -0.262 4.059 4.320 0.001 0.000 0.276 813 K C 0.347 176.926 176.600 -0.036 0.000 0.904 813 K CA 0.604 56.885 56.287 -0.011 0.000 0.741 813 K CB -1.897 30.550 32.500 -0.088 0.000 1.542 813 K HN 0.199 nan 8.250 nan 0.000 0.446 814 F N 0.840 120.712 119.950 -0.129 0.000 2.298 814 F HA 0.079 4.606 4.527 0.001 0.000 0.282 814 F C 2.016 177.720 175.800 -0.159 0.000 1.045 814 F CA 0.589 58.518 58.000 -0.117 0.000 1.280 814 F CB 0.087 39.041 39.000 -0.075 0.000 1.114 814 F HN 0.176 nan 8.300 nan 0.000 0.546 815 R N 0.204 120.653 120.500 -0.085 0.000 2.355 815 R HA -0.155 4.185 4.340 0.001 0.000 0.219 815 R C 1.333 177.489 176.300 -0.240 0.000 1.107 815 R CA 1.256 57.248 56.100 -0.180 0.000 1.021 815 R CB -0.373 29.865 30.300 -0.104 0.000 0.852 815 R HN 0.345 nan 8.270 nan 0.000 0.475 816 E N 0.139 120.159 120.200 -0.300 0.000 2.166 816 E HA 0.123 4.473 4.350 0.001 0.000 0.192 816 E C 0.241 176.540 176.600 -0.502 0.000 0.967 816 E CA 0.645 56.825 56.400 -0.368 0.000 0.840 816 E CB 0.552 29.967 29.700 -0.476 0.000 0.795 816 E HN 0.138 nan 8.360 nan 0.000 0.470 817 L N 1.908 122.780 121.223 -0.584 0.000 2.678 817 L HA 0.365 4.706 4.340 0.001 0.000 0.250 817 L C -2.323 174.232 176.870 -0.524 0.000 1.455 817 L CA -1.668 52.863 54.840 -0.516 0.000 0.823 817 L CB 0.832 42.530 42.059 -0.601 0.000 1.107 817 L HN -0.042 nan 8.230 nan 0.000 0.514 818 P HA -0.048 nan 4.420 nan 0.000 0.273 818 P C 0.217 177.358 177.300 -0.267 0.000 1.252 818 P CA 0.024 62.711 63.100 -0.688 0.000 0.809 818 P CB 1.208 32.708 31.700 -0.334 0.000 1.017 819 A N -1.220 121.613 122.820 0.021 0.000 2.592 819 A HA 0.608 4.928 4.320 0.001 0.000 0.290 819 A C 0.404 178.049 177.584 0.102 0.000 0.998 819 A CA 0.482 52.614 52.037 0.159 0.000 0.983 819 A CB -0.056 19.125 19.000 0.302 0.000 1.240 819 A HN 0.785 nan 8.150 nan 0.000 0.535 820 G N -0.736 108.099 108.800 0.058 0.000 2.428 820 G HA2 0.519 4.480 3.960 0.001 0.000 0.305 820 G HA3 0.519 4.480 3.960 0.001 0.000 0.305 820 G C -1.901 172.938 174.900 -0.102 0.000 1.260 820 G CA -0.463 44.495 45.100 -0.238 0.000 0.853 820 G HN 0.231 nan 8.290 nan 0.000 0.480 821 Q N -0.004 119.641 119.800 -0.259 0.000 2.345 821 Q HA 0.337 4.677 4.340 0.001 0.000 0.275 821 Q C -1.190 174.886 176.000 0.125 0.000 1.063 821 Q CA -0.980 54.781 55.803 -0.071 0.000 0.819 821 Q CB 2.445 30.853 28.738 -0.550 0.000 1.356 821 Q HN 0.446 nan 8.270 nan 0.000 0.418 822 N N 1.502 120.340 118.700 0.230 0.000 2.406 822 N HA 0.194 4.935 4.740 0.001 0.000 0.269 822 N C -1.056 174.512 175.510 0.098 0.000 1.210 822 N CA 0.165 53.335 53.050 0.201 0.000 0.966 822 N CB 0.822 39.367 38.487 0.097 0.000 1.293 822 N HN 0.516 nan 8.380 nan 0.000 0.491 823 A N 3.391 126.299 122.820 0.147 0.000 2.290 823 A HA 0.345 4.666 4.320 0.001 0.000 0.310 823 A C 0.613 178.277 177.584 0.133 0.000 1.202 823 A CA -0.697 51.414 52.037 0.125 0.000 0.837 823 A CB 0.532 19.647 19.000 0.191 0.000 1.139 823 A HN 0.504 nan 8.150 nan 0.000 0.509 824 I N 4.342 124.975 120.570 0.104 0.000 2.593 824 I HA -0.004 4.167 4.170 0.001 0.000 0.304 824 I C 0.535 176.704 176.117 0.087 0.000 1.176 824 I CA 0.581 61.968 61.300 0.147 0.000 1.533 824 I CB -1.260 36.860 38.000 0.199 0.000 1.492 824 I HN 0.253 nan 8.210 nan 0.000 0.704 825 V N 5.466 125.424 119.914 0.074 0.000 3.185 825 V HA 0.542 4.662 4.120 0.001 0.000 0.305 825 V C 0.692 176.627 176.094 -0.265 0.000 1.090 825 V CA -0.411 61.887 62.300 -0.003 0.000 1.107 825 V CB 1.647 33.573 31.823 0.172 0.000 1.061 825 V HN 0.856 nan 8.190 nan 0.000 0.480 826 A N 4.066 126.715 122.820 -0.285 0.000 2.684 826 A HA 0.555 4.875 4.320 0.001 0.000 0.289 826 A C -0.735 176.728 177.584 -0.201 0.000 1.139 826 A CA -0.493 51.265 52.037 -0.464 0.000 0.793 826 A CB 0.368 18.885 19.000 -0.805 0.000 1.334 826 A HN 0.662 nan 8.150 nan 0.000 0.408 827 I N 2.554 123.088 120.570 -0.060 0.000 2.372 827 I HA 0.384 4.555 4.170 0.001 0.000 0.298 827 I C 0.709 176.786 176.117 -0.066 0.000 1.137 827 I CA 0.685 61.983 61.300 -0.003 0.000 1.314 827 I CB 0.145 38.198 38.000 0.089 0.000 1.444 827 I HN 0.730 nan 8.210 nan 0.000 0.541 828 A N 5.344 128.117 122.820 -0.077 0.000 2.581 828 A HA 0.630 4.950 4.320 0.001 0.000 0.290 828 A C -1.433 176.141 177.584 -0.015 0.000 1.119 828 A CA -0.480 51.514 52.037 -0.071 0.000 0.670 828 A CB 1.381 20.315 19.000 -0.110 0.000 1.280 828 A HN 0.522 nan 8.150 nan 0.000 0.425 829 C N 0.789 120.099 119.300 0.017 0.000 2.273 829 C HA 0.779 5.239 4.460 0.001 0.000 0.328 829 C C -0.480 174.620 174.990 0.183 0.000 1.275 829 C CA -0.059 59.003 59.018 0.074 0.000 1.704 829 C CB -0.655 27.107 27.740 0.037 0.000 2.326 829 C HN 0.689 nan 8.230 nan 0.000 0.517 830 Y N 1.525 121.818 120.300 -0.012 0.000 2.857 830 Y HA 0.458 5.008 4.550 0.001 0.000 0.318 830 Y C 1.696 177.626 175.900 0.049 0.000 1.313 830 Y CA 0.122 58.197 58.100 -0.041 0.000 1.117 830 Y CB 0.928 39.335 38.460 -0.089 0.000 1.344 830 Y HN 0.750 nan 8.280 nan 0.000 0.525 831 S N 0.349 115.900 115.700 -0.249 0.000 2.705 831 S HA -0.345 4.125 4.470 0.001 0.000 0.359 831 S C 1.361 176.090 174.600 0.216 0.000 1.373 831 S CA 2.679 60.910 58.200 0.051 0.000 1.179 831 S CB -1.654 61.763 63.200 0.361 0.000 1.312 831 S HN 2.198 nan 8.310 nan 0.000 0.458 832 G N -1.768 107.210 108.800 0.298 0.000 2.456 832 G HA2 -0.003 3.957 3.960 0.001 0.000 0.208 832 G HA3 -0.003 3.957 3.960 0.001 0.000 0.208 832 G C 0.209 175.136 174.900 0.045 0.000 1.004 832 G CA 0.299 45.479 45.100 0.133 0.000 0.791 832 G HN 0.530 nan 8.290 nan 0.000 0.537 833 Y N 1.643 122.004 120.300 0.102 0.000 2.523 833 Y HA 0.133 4.683 4.550 0.001 0.000 0.279 833 Y C 2.254 178.194 175.900 0.067 0.000 1.139 833 Y CA 0.888 59.035 58.100 0.078 0.000 1.296 833 Y CB 0.217 38.729 38.460 0.086 0.000 1.045 833 Y HN 0.466 nan 8.280 nan 0.000 0.538 834 N N -0.055 118.767 118.700 0.203 0.000 2.336 834 N HA -0.036 4.704 4.740 0.001 0.000 0.189 834 N C 0.376 175.936 175.510 0.083 0.000 1.113 834 N CA 0.019 53.148 53.050 0.132 0.000 0.858 834 N CB -0.112 38.456 38.487 0.135 0.000 0.970 834 N HN 0.340 nan 8.380 nan 0.000 0.471 835 Q N 0.902 120.739 119.800 0.062 0.000 2.540 835 Q HA -0.015 4.325 4.340 0.001 0.000 0.256 835 Q C -0.239 175.768 176.000 0.010 0.000 1.084 835 Q CA 0.088 55.915 55.803 0.040 0.000 0.956 835 Q CB 0.387 29.123 28.738 -0.004 0.000 1.303 835 Q HN 0.178 nan 8.270 nan 0.000 0.509 836 E N 2.086 122.284 120.200 -0.003 0.000 2.149 836 E HA -0.316 4.035 4.350 0.001 0.000 0.191 836 E C -1.045 175.550 176.600 -0.008 0.000 1.384 836 E CA 1.323 57.711 56.400 -0.020 0.000 0.698 836 E CB -1.462 28.211 29.700 -0.045 0.000 1.086 836 E HN 0.781 nan 8.360 nan 0.000 0.338 837 D N -1.087 119.321 120.400 0.013 0.000 2.739 837 D HA -0.156 4.485 4.640 0.001 0.000 0.240 837 D C -0.826 175.482 176.300 0.012 0.000 1.114 837 D CA 1.473 55.483 54.000 0.016 0.000 0.695 837 D CB -0.918 39.887 40.800 0.009 0.000 1.078 837 D HN 0.461 nan 8.370 nan 0.000 0.434 838 S N -0.935 114.777 115.700 0.020 0.000 2.540 838 S HA 0.784 5.254 4.470 0.001 0.000 0.275 838 S C -0.093 174.530 174.600 0.039 0.000 1.123 838 S CA -1.247 56.965 58.200 0.020 0.000 0.907 838 S CB 2.163 65.371 63.200 0.013 0.000 1.081 838 S HN 0.261 nan 8.310 nan 0.000 0.476 839 M N 1.607 121.228 119.600 0.034 0.000 2.537 839 M HA 0.606 5.086 4.480 0.001 0.000 0.324 839 M C -1.109 175.227 176.300 0.060 0.000 1.187 839 M CA -0.754 54.563 55.300 0.028 0.000 0.993 839 M CB 0.873 33.446 32.600 -0.046 0.000 1.666 839 M HN 0.603 nan 8.290 nan 0.000 0.461 840 I N 3.063 123.683 120.570 0.083 0.000 2.325 840 I HA 0.344 4.514 4.170 0.001 0.000 0.291 840 I C -0.407 175.758 176.117 0.081 0.000 1.019 840 I CA -0.194 61.190 61.300 0.139 0.000 1.302 840 I CB 1.349 39.495 38.000 0.243 0.000 1.401 840 I HN 0.752 nan 8.210 nan 0.000 0.485 841 M N 6.589 126.230 119.600 0.069 0.000 2.364 841 M HA 0.329 4.809 4.480 0.001 0.000 0.334 841 M C -0.399 175.945 176.300 0.073 0.000 1.107 841 M CA -0.689 54.636 55.300 0.041 0.000 0.988 841 M CB 1.550 34.167 32.600 0.028 0.000 1.673 841 M HN 0.448 nan 8.290 nan 0.000 0.441 842 N N 3.095 121.836 118.700 0.069 0.000 2.440 842 N HA -0.052 4.689 4.740 0.001 0.000 0.265 842 N C 0.356 175.910 175.510 0.073 0.000 1.239 842 N CA 0.438 53.542 53.050 0.090 0.000 0.909 842 N CB 1.058 39.588 38.487 0.071 0.000 1.066 842 N HN 0.718 nan 8.380 nan 0.000 0.474 843 Q N 2.947 122.792 119.800 0.076 0.000 1.994 843 Q HA -0.043 4.297 4.340 0.001 0.000 0.198 843 Q C 1.499 177.529 176.000 0.051 0.000 0.976 843 Q CA 1.717 57.549 55.803 0.049 0.000 0.828 843 Q CB -0.681 28.079 28.738 0.036 0.000 0.894 843 Q HN 0.696 nan 8.270 nan 0.000 0.432 844 S N 0.408 116.144 115.700 0.060 0.000 2.414 844 S HA -0.285 4.186 4.470 0.001 0.000 0.238 844 S C 1.917 176.547 174.600 0.050 0.000 1.055 844 S CA 2.477 60.709 58.200 0.053 0.000 1.174 844 S CB -0.934 62.302 63.200 0.060 0.000 1.087 844 S HN 0.741 nan 8.310 nan 0.000 0.428 845 S N 1.376 117.108 115.700 0.055 0.000 2.420 845 S HA -0.098 4.372 4.470 0.001 0.000 0.237 845 S C 1.713 176.341 174.600 0.048 0.000 1.023 845 S CA 1.325 59.555 58.200 0.051 0.000 0.991 845 S CB -0.793 62.438 63.200 0.051 0.000 0.792 845 S HN 0.518 nan 8.310 nan 0.000 0.488 846 I N 2.181 122.781 120.570 0.050 0.000 2.315 846 I HA -0.165 4.005 4.170 0.001 0.000 0.248 846 I C 2.061 178.192 176.117 0.023 0.000 1.117 846 I CA 1.483 62.812 61.300 0.048 0.000 1.404 846 I CB -0.492 37.536 38.000 0.048 0.000 1.071 846 I HN 0.251 nan 8.210 nan 0.000 0.419 847 D N 1.034 121.449 120.400 0.026 0.000 2.097 847 D HA -0.136 4.505 4.640 0.001 0.000 0.197 847 D C 1.984 178.301 176.300 0.029 0.000 0.984 847 D CA 1.061 55.074 54.000 0.021 0.000 0.826 847 D CB -0.345 40.471 40.800 0.026 0.000 0.973 847 D HN 0.303 nan 8.370 nan 0.000 0.460 848 R N 0.116 120.641 120.500 0.043 0.000 2.395 848 R HA 0.089 4.430 4.340 0.001 0.000 0.203 848 R C 1.043 177.390 176.300 0.077 0.000 1.076 848 R CA 0.638 56.777 56.100 0.065 0.000 1.059 848 R CB -0.169 30.172 30.300 0.068 0.000 0.860 848 R HN 0.225 nan 8.270 nan 0.000 0.476 849 G N 0.843 109.655 108.800 0.020 0.000 2.134 849 G HA2 -0.219 3.741 3.960 0.001 0.000 0.209 849 G HA3 -0.219 3.741 3.960 0.001 0.000 0.209 849 G C -0.252 174.598 174.900 -0.084 0.000 0.993 849 G CA -0.474 44.587 45.100 -0.066 0.000 0.669 849 G HN 0.218 nan 8.290 nan 0.000 0.519 850 L N 0.377 121.590 121.223 -0.016 0.000 2.410 850 L HA 0.686 5.027 4.340 0.001 0.000 0.273 850 L C 1.248 178.151 176.870 0.056 0.000 1.144 850 L CA 0.192 55.016 54.840 -0.027 0.000 0.863 850 L CB -0.861 41.209 42.059 0.018 0.000 1.140 850 L HN 0.622 nan 8.230 nan 0.000 0.463 851 F N 2.228 122.139 119.950 -0.064 0.000 3.021 851 F HA -0.314 4.214 4.527 0.001 0.000 0.294 851 F C 1.195 176.938 175.800 -0.094 0.000 0.761 851 F CA 0.794 58.761 58.000 -0.054 0.000 1.102 851 F CB -0.801 38.166 39.000 -0.055 0.000 1.380 851 F HN 0.603 nan 8.300 nan 0.000 0.387 852 R N 0.871 121.310 120.500 -0.102 0.000 2.643 852 R HA 0.427 4.767 4.340 0.001 0.000 0.270 852 R C 0.538 176.590 176.300 -0.414 0.000 1.061 852 R CA 0.756 56.611 56.100 -0.409 0.000 1.107 852 R CB 0.977 30.740 30.300 -0.895 0.000 0.999 852 R HN 0.254 nan 8.270 nan 0.000 0.460 853 S N 1.799 117.273 115.700 -0.376 0.000 2.661 853 S HA 0.555 5.026 4.470 0.001 0.000 0.285 853 S C -0.502 174.128 174.600 0.049 0.000 1.138 853 S CA -1.070 57.090 58.200 -0.067 0.000 0.855 853 S CB 1.352 64.567 63.200 0.025 0.000 1.136 853 S HN 0.354 nan 8.310 nan 0.000 0.484 854 L N 0.884 122.253 121.223 0.245 0.000 2.365 854 L HA 0.733 5.073 4.340 0.001 0.000 0.267 854 L C -1.174 175.919 176.870 0.371 0.000 1.033 854 L CA -0.847 54.195 54.840 0.336 0.000 0.802 854 L CB 1.361 43.710 42.059 0.483 0.000 1.267 854 L HN 0.776 nan 8.230 nan 0.000 0.457 855 F N 1.495 121.530 119.950 0.142 0.000 2.689 855 F HA 0.470 4.997 4.527 0.001 0.000 0.332 855 F C -1.656 174.182 175.800 0.063 0.000 1.209 855 F CA -1.221 56.851 58.000 0.120 0.000 1.028 855 F CB 1.053 40.059 39.000 0.010 0.000 1.291 855 F HN 0.014 nan 8.300 nan 0.000 0.500 856 F N 5.768 125.596 119.950 -0.202 0.000 2.449 856 F HA 0.624 5.152 4.527 0.001 0.000 0.342 856 F C 0.138 175.637 175.800 -0.502 0.000 1.127 856 F CA -0.658 57.148 58.000 -0.322 0.000 0.975 856 F CB 1.740 40.685 39.000 -0.093 0.000 1.146 856 F HN 0.456 nan 8.300 nan 0.000 0.444 857 R N 0.945 121.183 120.500 -0.437 0.000 2.778 857 R HA 0.817 5.158 4.340 0.001 0.000 0.277 857 R C -1.286 174.859 176.300 -0.257 0.000 0.977 857 R CA -0.611 55.236 56.100 -0.421 0.000 0.950 857 R CB 1.684 31.634 30.300 -0.583 0.000 1.165 857 R HN 0.677 nan 8.270 nan 0.000 0.474 858 S N 2.515 118.035 115.700 -0.300 0.000 2.721 858 S HA 0.312 4.782 4.470 0.001 0.000 0.264 858 S C -1.299 173.166 174.600 -0.224 0.000 1.161 858 S CA -0.774 57.327 58.200 -0.165 0.000 1.113 858 S CB 0.388 63.553 63.200 -0.057 0.000 1.079 858 S HN 0.411 nan 8.310 nan 0.000 0.479 859 Y N 2.394 122.647 120.300 -0.079 0.000 2.314 859 Y HA 0.608 5.158 4.550 0.001 0.000 0.334 859 Y C 0.591 176.431 175.900 -0.100 0.000 1.266 859 Y CA -0.768 57.286 58.100 -0.075 0.000 1.391 859 Y CB 0.560 38.973 38.460 -0.078 0.000 1.306 859 Y HN 0.523 nan 8.280 nan 0.000 0.558 860 M N 1.598 121.232 119.600 0.057 0.000 2.618 860 M HA 0.462 4.943 4.480 0.001 0.000 0.281 860 M C -2.341 173.942 176.300 -0.028 0.000 1.267 860 M CA -0.424 54.832 55.300 -0.073 0.000 0.845 860 M CB 2.945 35.486 32.600 -0.097 0.000 1.732 860 M HN 0.863 nan 8.290 nan 0.000 0.461 861 D N 1.072 121.418 120.400 -0.090 0.000 2.720 861 D HA 0.357 4.997 4.640 0.001 0.000 0.239 861 D C -1.961 174.441 176.300 0.169 0.000 1.218 861 D CA -0.047 54.005 54.000 0.086 0.000 0.748 861 D CB 2.057 42.976 40.800 0.199 0.000 1.387 861 D HN 0.755 nan 8.370 nan 0.000 0.438 862 Q N 0.282 120.213 119.800 0.218 0.000 2.633 862 Q HA 0.488 4.829 4.340 0.001 0.000 0.292 862 Q C -0.820 175.200 176.000 0.033 0.000 1.089 862 Q CA -0.795 55.151 55.803 0.239 0.000 0.811 862 Q CB 2.296 31.182 28.738 0.246 0.000 1.472 862 Q HN 0.209 nan 8.270 nan 0.000 0.464 863 E N 1.344 121.536 120.200 -0.014 0.000 2.267 863 E HA 0.179 4.529 4.350 0.001 0.000 0.241 863 E C -1.204 175.368 176.600 -0.048 0.000 0.950 863 E CA -0.270 56.042 56.400 -0.147 0.000 0.776 863 E CB 0.827 30.412 29.700 -0.192 0.000 1.207 863 E HN 0.185 nan 8.360 nan 0.000 0.436 864 K N 2.097 122.472 120.400 -0.041 0.000 2.524 864 K HA 0.026 4.346 4.320 0.001 0.000 0.279 864 K C 0.327 176.882 176.600 -0.074 0.000 0.993 864 K CA 0.478 56.716 56.287 -0.082 0.000 1.030 864 K CB 0.612 33.050 32.500 -0.104 0.000 0.891 864 K HN 0.061 nan 8.250 nan 0.000 0.488 865 K N 1.845 122.134 120.400 -0.185 0.000 2.280 865 K HA 0.444 4.764 4.320 0.001 0.000 0.234 865 K C -1.217 175.173 176.600 -0.350 0.000 1.028 865 K CA -0.840 55.405 56.287 -0.071 0.000 0.882 865 K CB 1.193 33.683 32.500 -0.016 0.000 1.194 865 K HN 0.389 nan 8.250 nan 0.000 0.458 866 Y N -1.370 118.932 120.300 0.002 0.000 2.330 866 Y HA 0.189 4.739 4.550 0.001 0.000 0.324 866 Y C 1.163 177.067 175.900 0.007 0.000 1.093 866 Y CA -0.684 57.419 58.100 0.005 0.000 1.103 866 Y CB 1.663 40.124 38.460 0.002 0.000 1.183 866 Y HN 0.832 nan 8.280 nan 0.000 0.433 867 G N 2.132 110.999 108.800 0.111 0.000 2.661 867 G HA2 -0.341 3.619 3.960 0.001 0.000 0.224 867 G HA3 -0.341 3.619 3.960 0.001 0.000 0.224 867 G C 1.145 176.092 174.900 0.079 0.000 1.114 867 G CA 1.029 46.175 45.100 0.076 0.000 0.751 867 G HN 0.652 nan 8.290 nan 0.000 0.609 868 M N 1.519 121.178 119.600 0.098 0.000 2.752 868 M HA 0.278 4.759 4.480 0.001 0.000 0.216 868 M C 0.331 176.665 176.300 0.057 0.000 1.261 868 M CA -0.134 55.204 55.300 0.064 0.000 1.020 868 M CB -0.265 32.365 32.600 0.051 0.000 1.686 868 M HN 0.088 nan 8.290 nan 0.000 0.447 869 S N 1.321 117.066 115.700 0.075 0.000 3.305 869 S HA -0.150 4.320 4.470 0.001 0.000 0.392 869 S C -0.517 174.111 174.600 0.046 0.000 0.833 869 S CA 0.537 58.775 58.200 0.064 0.000 1.355 869 S CB -1.108 62.115 63.200 0.038 0.000 1.105 869 S HN 0.631 nan 8.310 nan 0.000 0.614 870 I N 2.460 123.079 120.570 0.083 0.000 2.599 870 I HA 0.278 4.448 4.170 0.001 0.000 0.285 870 I C -0.080 176.109 176.117 0.120 0.000 1.168 870 I CA -0.362 60.940 61.300 0.003 0.000 1.060 870 I CB 2.345 40.212 38.000 -0.222 0.000 1.249 870 I HN 0.338 nan 8.210 nan 0.000 0.442 871 T N 3.950 118.542 114.554 0.063 0.000 2.908 871 T HA 0.451 4.802 4.350 0.001 0.000 0.290 871 T C -0.270 174.447 174.700 0.028 0.000 1.034 871 T CA -0.779 61.371 62.100 0.083 0.000 1.010 871 T CB 2.156 71.052 68.868 0.046 0.000 1.068 871 T HN 0.416 nan 8.240 nan 0.000 0.481 872 E N 0.705 120.911 120.200 0.011 0.000 2.351 872 E HA 0.621 4.972 4.350 0.001 0.000 0.255 872 E C -0.539 175.981 176.600 -0.133 0.000 1.188 872 E CA -0.681 55.681 56.400 -0.063 0.000 0.940 872 E CB 0.817 30.456 29.700 -0.102 0.000 1.094 872 E HN 0.473 nan 8.360 nan 0.000 0.474 873 T N 0.616 115.067 114.554 -0.172 0.000 2.982 873 T HA 0.266 4.616 4.350 0.001 0.000 0.321 873 T C -1.052 173.572 174.700 -0.126 0.000 1.229 873 T CA -0.713 61.294 62.100 -0.154 0.000 1.044 873 T CB 0.454 69.301 68.868 -0.034 0.000 1.184 873 T HN 0.267 nan 8.240 nan 0.000 0.477 874 F N 3.468 123.438 119.950 0.034 0.000 2.462 874 F HA 0.346 4.873 4.527 0.001 0.000 0.354 874 F C 1.214 177.031 175.800 0.028 0.000 1.192 874 F CA -0.454 57.563 58.000 0.028 0.000 1.173 874 F CB 0.272 39.285 39.000 0.021 0.000 1.402 874 F HN 0.580 nan 8.300 nan 0.000 0.595 875 E N 1.689 122.015 120.200 0.209 0.000 2.446 875 E HA 0.389 4.739 4.350 0.001 0.000 0.267 875 E C -1.350 175.329 176.600 0.131 0.000 0.955 875 E CA -1.386 55.094 56.400 0.133 0.000 0.842 875 E CB 1.704 31.453 29.700 0.082 0.000 1.504 875 E HN 0.233 nan 8.360 nan 0.000 0.438 876 K N 1.875 122.333 120.400 0.095 0.000 2.419 876 K HA 0.330 4.651 4.320 0.001 0.000 0.244 876 K C -2.250 174.371 176.600 0.034 0.000 1.045 876 K CA -1.859 54.492 56.287 0.108 0.000 1.004 876 K CB 0.852 33.407 32.500 0.092 0.000 1.376 876 K HN 0.380 nan 8.250 nan 0.000 0.460 877 P HA 0.165 nan 4.420 nan 0.000 0.289 877 P C -1.560 175.619 177.300 -0.201 0.000 1.299 877 P CA -0.374 62.670 63.100 -0.094 0.000 0.766 877 P CB 0.757 32.405 31.700 -0.087 0.000 1.226 878 Q N -1.315 118.380 119.800 -0.176 0.000 2.887 878 Q HA 0.351 4.691 4.340 0.001 0.000 0.211 878 Q C -0.290 175.635 176.000 -0.124 0.000 0.879 878 Q CA -0.828 54.864 55.803 -0.184 0.000 1.210 878 Q CB 0.865 29.521 28.738 -0.137 0.000 1.663 878 Q HN 0.273 nan 8.270 nan 0.000 0.582 879 R N 0.457 120.879 120.500 -0.129 0.000 3.701 879 R HA -0.198 4.142 4.340 0.001 0.000 0.524 879 R C -0.377 175.882 176.300 -0.070 0.000 0.241 879 R CA 1.586 57.633 56.100 -0.089 0.000 1.632 879 R CB -2.240 28.018 30.300 -0.070 0.000 0.952 879 R HN 1.476 nan 8.270 nan 0.000 0.587 880 T N 1.152 115.674 114.554 -0.052 0.000 3.944 880 T HA -0.144 4.207 4.350 0.001 0.000 0.376 880 T C 0.531 175.209 174.700 -0.037 0.000 0.759 880 T CA 1.051 63.126 62.100 -0.041 0.000 2.034 880 T CB -0.979 67.864 68.868 -0.041 0.000 1.791 880 T HN 0.635 nan 8.240 nan 0.000 0.846 881 N N -1.110 117.570 118.700 -0.034 0.000 3.477 881 N HA -0.228 4.513 4.740 0.001 0.000 0.231 881 N C 1.436 176.927 175.510 -0.031 0.000 0.193 881 N CA 1.977 55.009 53.050 -0.030 0.000 3.689 881 N CB -1.790 36.681 38.487 -0.027 0.000 1.177 881 N HN 0.510 nan 8.380 nan 0.000 0.240 882 T N 2.626 117.160 114.554 -0.033 0.000 2.597 882 T HA -0.074 4.277 4.350 0.001 0.000 0.267 882 T C 1.654 176.332 174.700 -0.037 0.000 1.053 882 T CA 2.692 64.772 62.100 -0.033 0.000 1.165 882 T CB -0.184 68.664 68.868 -0.033 0.000 0.863 882 T HN 0.486 nan 8.240 nan 0.000 0.427 883 L N -2.410 118.784 121.223 -0.049 0.000 4.029 883 L HA -0.187 4.154 4.340 0.001 0.000 0.394 883 L C 0.553 177.385 176.870 -0.063 0.000 0.733 883 L CA 0.625 55.430 54.840 -0.058 0.000 2.638 883 L CB -1.238 40.793 42.059 -0.046 0.000 1.037 883 L HN 0.194 nan 8.230 nan 0.000 0.655 884 R N 1.746 122.218 120.500 -0.046 0.000 2.630 884 R HA 0.238 4.579 4.340 0.001 0.000 0.286 884 R C 0.304 176.582 176.300 -0.036 0.000 1.391 884 R CA 0.639 56.717 56.100 -0.037 0.000 1.027 884 R CB -0.044 30.245 30.300 -0.019 0.000 1.099 884 R HN 0.416 nan 8.270 nan 0.000 0.525 885 M N 0.766 120.333 119.600 -0.055 0.000 2.385 885 M HA 0.430 4.911 4.480 0.001 0.000 0.241 885 M C 0.112 176.425 176.300 0.021 0.000 0.892 885 M CA -0.671 54.615 55.300 -0.024 0.000 1.530 885 M CB 0.727 33.252 32.600 -0.124 0.000 1.325 885 M HN 0.008 nan 8.290 nan 0.000 0.803 886 K N -0.218 120.256 120.400 0.122 0.000 2.378 886 K HA 0.369 4.690 4.320 0.001 0.000 0.244 886 K C 0.582 177.210 176.600 0.046 0.000 1.039 886 K CA -0.589 55.760 56.287 0.103 0.000 0.863 886 K CB 0.934 33.536 32.500 0.169 0.000 1.326 886 K HN 0.545 nan 8.250 nan 0.000 0.460 887 H N 0.025 119.158 119.070 0.105 0.000 2.448 887 H HA 0.045 4.602 4.556 0.001 0.000 0.292 887 H C 1.068 176.445 175.328 0.083 0.000 1.035 887 H CA 0.906 57.001 56.048 0.078 0.000 1.349 887 H CB 0.343 30.129 29.762 0.041 0.000 1.425 887 H HN 0.709 nan 8.280 nan 0.000 0.539 888 G N 0.489 109.390 108.800 0.169 0.000 2.661 888 G HA2 -0.015 3.945 3.960 0.001 0.000 0.272 888 G HA3 -0.015 3.945 3.960 0.001 0.000 0.272 888 G C -0.260 174.711 174.900 0.118 0.000 1.296 888 G CA -0.211 44.936 45.100 0.078 0.000 0.998 888 G HN 0.169 nan 8.290 nan 0.000 0.553 889 T N 0.702 115.288 114.554 0.053 0.000 2.747 889 T HA 0.218 4.569 4.350 0.001 0.000 0.301 889 T C 0.397 175.143 174.700 0.077 0.000 0.952 889 T CA -0.084 62.071 62.100 0.091 0.000 0.983 889 T CB 0.644 69.537 68.868 0.042 0.000 0.930 889 T HN 0.384 nan 8.240 nan 0.000 0.494 890 Y N 1.349 121.640 120.300 -0.015 0.000 2.509 890 Y HA -0.051 4.500 4.550 0.001 0.000 0.293 890 Y C 2.168 178.056 175.900 -0.020 0.000 1.133 890 Y CA 0.242 58.330 58.100 -0.019 0.000 1.283 890 Y CB -0.197 38.254 38.460 -0.015 0.000 1.001 890 Y HN 0.638 nan 8.280 nan 0.000 0.555 891 D N 0.314 120.791 120.400 0.129 0.000 2.362 891 D HA -0.201 4.440 4.640 0.001 0.000 0.215 891 D C 1.322 177.639 176.300 0.028 0.000 0.978 891 D CA 1.197 55.236 54.000 0.065 0.000 0.921 891 D CB -0.038 40.788 40.800 0.044 0.000 0.895 891 D HN 0.449 nan 8.370 nan 0.000 0.494 892 K N -0.171 120.232 120.400 0.005 0.000 2.393 892 K HA 0.146 4.467 4.320 0.001 0.000 0.193 892 K C 0.704 177.288 176.600 -0.027 0.000 1.026 892 K CA -0.112 56.162 56.287 -0.022 0.000 1.064 892 K CB 0.641 33.111 32.500 -0.050 0.000 0.833 892 K HN 0.066 nan 8.250 nan 0.000 0.521 893 L N 1.780 122.999 121.223 -0.007 0.000 2.331 893 L HA 0.068 4.409 4.340 0.001 0.000 0.278 893 L C 0.328 177.203 176.870 0.010 0.000 1.106 893 L CA -0.385 54.453 54.840 -0.004 0.000 0.824 893 L CB 0.848 42.928 42.059 0.034 0.000 1.142 893 L HN 0.038 nan 8.230 nan 0.000 0.443 894 D N 0.959 121.356 120.400 -0.005 0.000 2.233 894 D HA 0.009 4.649 4.640 0.001 0.000 0.281 894 D C 0.510 176.819 176.300 0.015 0.000 1.175 894 D CA 0.112 54.112 54.000 0.001 0.000 1.034 894 D CB 0.466 41.260 40.800 -0.011 0.000 1.133 894 D HN 0.498 nan 8.370 nan 0.000 0.519 895 D N -1.494 118.916 120.400 0.015 0.000 2.355 895 D HA 0.009 4.649 4.640 0.001 0.000 0.206 895 D C 0.720 177.042 176.300 0.038 0.000 1.010 895 D CA 0.248 54.266 54.000 0.029 0.000 0.875 895 D CB 0.034 40.849 40.800 0.025 0.000 0.966 895 D HN 0.323 nan 8.370 nan 0.000 0.512 896 D N -0.039 120.373 120.400 0.021 0.000 2.378 896 D HA 0.052 4.693 4.640 0.001 0.000 0.222 896 D C 1.367 177.680 176.300 0.022 0.000 0.980 896 D CA 0.685 54.699 54.000 0.024 0.000 0.907 896 D CB -0.424 40.369 40.800 -0.012 0.000 0.899 896 D HN 0.142 nan 8.370 nan 0.000 0.527 897 G N -0.277 108.536 108.800 0.021 0.000 2.248 897 G HA2 -0.174 3.786 3.960 0.001 0.000 0.252 897 G HA3 -0.174 3.786 3.960 0.001 0.000 0.252 897 G C -0.328 174.527 174.900 -0.075 0.000 1.085 897 G CA 0.175 45.293 45.100 0.030 0.000 0.845 897 G HN 0.407 nan 8.290 nan 0.000 0.494 898 L N -1.101 120.068 121.223 -0.090 0.000 2.465 898 L HA 0.634 4.975 4.340 0.001 0.000 0.257 898 L C 0.577 177.390 176.870 -0.094 0.000 0.988 898 L CA -1.398 53.362 54.840 -0.134 0.000 0.827 898 L CB 1.831 43.785 42.059 -0.174 0.000 1.397 898 L HN 0.047 nan 8.230 nan 0.000 0.410 899 I N 1.128 121.636 120.570 -0.104 0.000 2.764 899 I HA 0.498 4.668 4.170 0.001 0.000 0.294 899 I C 0.523 176.599 176.117 -0.068 0.000 1.045 899 I CA -0.274 60.977 61.300 -0.083 0.000 1.340 899 I CB 1.318 39.259 38.000 -0.097 0.000 1.436 899 I HN 0.659 nan 8.210 nan 0.000 0.567 900 A N 4.743 127.532 122.820 -0.052 0.000 2.305 900 A HA 0.514 4.834 4.320 0.001 0.000 0.322 900 A C -1.799 175.762 177.584 -0.038 0.000 1.187 900 A CA -1.612 50.400 52.037 -0.041 0.000 0.825 900 A CB 0.540 19.522 19.000 -0.030 0.000 1.164 900 A HN 0.533 nan 8.150 nan 0.000 0.498 901 P HA -0.251 nan 4.420 nan 0.000 0.221 901 P C 1.585 178.869 177.300 -0.027 0.000 1.151 901 P CA 2.289 65.373 63.100 -0.026 0.000 0.843 901 P CB 0.255 31.947 31.700 -0.013 0.000 0.778 902 G N -0.941 107.845 108.800 -0.024 0.000 2.394 902 G HA2 -0.115 3.845 3.960 0.001 0.000 0.215 902 G HA3 -0.115 3.845 3.960 0.001 0.000 0.215 902 G C 0.379 175.262 174.900 -0.028 0.000 1.165 902 G CA 0.047 45.134 45.100 -0.022 0.000 0.784 902 G HN 0.151 nan 8.290 nan 0.000 0.535 903 V N 0.462 120.357 119.914 -0.033 0.000 2.902 903 V HA -0.030 4.090 4.120 0.001 0.000 0.297 903 V C 0.835 176.903 176.094 -0.043 0.000 1.230 903 V CA 0.528 62.805 62.300 -0.038 0.000 1.344 903 V CB 0.484 32.280 31.823 -0.046 0.000 0.889 903 V HN 0.388 nan 8.190 nan 0.000 0.515 904 R N 3.273 123.749 120.500 -0.039 0.000 2.278 904 R HA 0.506 4.847 4.340 0.001 0.000 0.322 904 R C -0.584 175.689 176.300 -0.045 0.000 1.058 904 R CA -0.460 55.616 56.100 -0.040 0.000 0.991 904 R CB 1.073 31.355 30.300 -0.029 0.000 1.140 904 R HN 0.754 nan 8.270 nan 0.000 0.518 905 V N 1.423 121.302 119.914 -0.058 0.000 2.743 905 V HA 0.662 4.783 4.120 0.001 0.000 0.301 905 V C 0.314 176.377 176.094 -0.052 0.000 1.057 905 V CA 0.009 62.268 62.300 -0.068 0.000 1.006 905 V CB 1.674 33.438 31.823 -0.099 0.000 1.024 905 V HN 0.863 nan 8.190 nan 0.000 0.473 906 S N 2.494 118.165 115.700 -0.049 0.000 3.756 906 S HA 0.546 5.016 4.470 0.001 0.000 0.183 906 S C 1.547 176.131 174.600 -0.027 0.000 1.093 906 S CA 0.221 58.402 58.200 -0.030 0.000 1.303 906 S CB 0.030 63.217 63.200 -0.021 0.000 1.593 906 S HN 1.440 nan 8.310 nan 0.000 0.841 907 G N 1.247 110.035 108.800 -0.020 0.000 2.988 907 G HA2 -0.166 3.795 3.960 0.001 0.000 0.204 907 G HA3 -0.166 3.795 3.960 0.001 0.000 0.204 907 G C 0.656 175.543 174.900 -0.021 0.000 1.378 907 G CA 1.408 46.499 45.100 -0.014 0.000 0.781 907 G HN 0.721 nan 8.290 nan 0.000 0.738 908 E N 0.616 120.799 120.200 -0.028 0.000 2.630 908 E HA 0.136 4.486 4.350 0.001 0.000 0.218 908 E C -0.626 175.924 176.600 -0.082 0.000 0.977 908 E CA -0.265 56.111 56.400 -0.039 0.000 1.038 908 E CB 0.417 30.113 29.700 -0.007 0.000 1.051 908 E HN 0.500 nan 8.360 nan 0.000 0.487 909 D N 1.036 121.382 120.400 -0.089 0.000 2.631 909 D HA -0.108 4.532 4.640 0.001 0.000 0.225 909 D C 0.186 176.353 176.300 -0.221 0.000 1.189 909 D CA 0.454 54.375 54.000 -0.132 0.000 0.871 909 D CB 0.609 41.344 40.800 -0.108 0.000 1.224 909 D HN -0.199 nan 8.370 nan 0.000 0.510 910 V N 1.358 121.082 119.914 -0.316 0.000 2.953 910 V HA 0.227 4.348 4.120 0.001 0.000 0.304 910 V C 1.290 177.195 176.094 -0.316 0.000 1.073 910 V CA -0.250 61.807 62.300 -0.404 0.000 1.064 910 V CB 1.197 32.584 31.823 -0.726 0.000 1.047 910 V HN 0.531 nan 8.190 nan 0.000 0.478 911 I N 1.950 122.329 120.570 -0.317 0.000 4.442 911 I HA 0.392 4.562 4.170 0.001 0.000 0.331 911 I C -0.301 175.681 176.117 -0.225 0.000 1.364 911 I CA 0.538 61.667 61.300 -0.286 0.000 1.207 911 I CB 0.558 38.309 38.000 -0.415 0.000 1.298 911 I HN 0.363 nan 8.210 nan 0.000 0.463 912 I N 0.820 121.276 120.570 -0.190 0.000 2.685 912 I HA 0.317 4.487 4.170 0.001 0.000 0.289 912 I C -0.422 175.695 176.117 -0.000 0.000 1.292 912 I CA -0.543 60.697 61.300 -0.100 0.000 1.050 912 I CB 2.200 40.162 38.000 -0.063 0.000 1.301 912 I HN -0.051 nan 8.210 nan 0.000 0.425 913 G N 5.366 114.224 108.800 0.098 0.000 2.377 913 G HA2 0.540 4.500 3.960 0.001 0.000 0.316 913 G HA3 0.540 4.500 3.960 0.001 0.000 0.316 913 G C -0.929 174.155 174.900 0.306 0.000 1.115 913 G CA -0.329 44.893 45.100 0.204 0.000 0.952 913 G HN 0.545 nan 8.290 nan 0.000 0.441 914 K N 1.330 121.871 120.400 0.235 0.000 2.385 914 K HA 0.761 5.082 4.320 0.001 0.000 0.248 914 K C -0.575 176.065 176.600 0.066 0.000 0.955 914 K CA -0.612 55.759 56.287 0.139 0.000 0.816 914 K CB 2.052 34.612 32.500 0.100 0.000 1.250 914 K HN 0.552 nan 8.250 nan 0.000 0.434 915 T N -1.071 113.481 114.554 -0.003 0.000 2.896 915 T HA 0.498 4.848 4.350 0.001 0.000 0.297 915 T C -0.901 173.784 174.700 -0.025 0.000 1.108 915 T CA -0.771 61.327 62.100 -0.003 0.000 1.004 915 T CB 1.794 70.662 68.868 0.001 0.000 1.159 915 T HN 0.375 nan 8.240 nan 0.000 0.499 916 T N 3.677 118.222 114.554 -0.016 0.000 2.965 916 T HA 0.542 4.893 4.350 0.001 0.000 0.306 916 T C -2.907 171.771 174.700 -0.038 0.000 0.991 916 T CA -1.000 61.088 62.100 -0.020 0.000 1.001 916 T CB 1.697 70.565 68.868 -0.000 0.000 0.984 916 T HN 0.573 nan 8.240 nan 0.000 0.446 917 P HA 0.572 nan 4.420 nan 0.000 0.285 917 P C -0.927 176.319 177.300 -0.090 0.000 1.259 917 P CA -0.471 62.591 63.100 -0.063 0.000 0.794 917 P CB 1.196 32.860 31.700 -0.060 0.000 0.940 918 I N 1.948 122.475 120.570 -0.072 0.000 2.607 918 I HA 0.231 4.401 4.170 0.001 0.000 0.290 918 I C 0.295 176.378 176.117 -0.058 0.000 1.129 918 I CA -0.404 60.849 61.300 -0.078 0.000 1.042 918 I CB 2.441 40.402 38.000 -0.064 0.000 1.242 918 I HN 0.424 nan 8.210 nan 0.000 0.421 934 K N 2.674 123.054 120.400 -0.032 0.000 2.473 934 K HA 0.450 4.770 4.320 0.001 0.000 0.246 934 K C -0.921 175.662 176.600 -0.030 0.000 1.011 934 K CA -0.391 55.877 56.287 -0.032 0.000 0.984 934 K CB 1.224 33.700 32.500 -0.039 0.000 1.250 934 K HN 0.306 nan 8.250 nan 0.000 0.454 935 R N 1.803 122.291 120.500 -0.021 0.000 2.294 935 R HA 0.202 4.542 4.340 0.001 0.000 0.319 935 R C -0.275 176.028 176.300 0.004 0.000 0.984 935 R CA -0.905 55.188 56.100 -0.012 0.000 0.861 935 R CB 1.179 31.473 30.300 -0.009 0.000 1.104 935 R HN 0.479 nan 8.270 nan 0.000 0.451 936 D N 2.051 122.461 120.400 0.016 0.000 2.368 936 D HA 0.121 4.762 4.640 0.001 0.000 0.240 936 D C -0.138 176.194 176.300 0.053 0.000 1.169 936 D CA 0.198 54.228 54.000 0.051 0.000 0.906 936 D CB 1.222 42.073 40.800 0.085 0.000 1.187 936 D HN 0.670 nan 8.370 nan 0.000 0.435 937 A N 1.766 124.628 122.820 0.070 0.000 2.504 937 A HA 0.174 4.495 4.320 0.001 0.000 0.263 937 A C 0.117 177.748 177.584 0.079 0.000 0.885 937 A CA -0.382 51.691 52.037 0.060 0.000 1.086 937 A CB 0.065 19.088 19.000 0.038 0.000 1.203 937 A HN 0.321 nan 8.150 nan 0.000 0.496 938 S N 1.605 117.363 115.700 0.097 0.000 2.564 938 S HA 0.409 4.879 4.470 0.001 0.000 0.278 938 S C 0.364 174.968 174.600 0.006 0.000 1.333 938 S CA 0.344 58.586 58.200 0.071 0.000 1.048 938 S CB 0.644 63.893 63.200 0.082 0.000 0.900 938 S HN 0.468 nan 8.310 nan 0.000 0.505 939 T N 5.528 120.061 114.554 -0.035 0.000 2.743 939 T HA 0.473 4.824 4.350 0.001 0.000 0.292 939 T C -2.478 172.109 174.700 -0.189 0.000 0.972 939 T CA -1.295 60.763 62.100 -0.070 0.000 0.967 939 T CB 1.165 70.008 68.868 -0.041 0.000 0.926 939 T HN 0.387 nan 8.240 nan 0.000 0.459 940 P HA 0.418 nan 4.420 nan 0.000 0.290 940 P C -0.531 176.624 177.300 -0.241 0.000 1.283 940 P CA -1.001 61.973 63.100 -0.210 0.000 0.869 940 P CB 1.264 32.894 31.700 -0.117 0.000 1.100 941 L N 2.881 123.938 121.223 -0.278 0.000 2.490 941 L HA 0.086 4.426 4.340 0.001 0.000 0.274 941 L C 1.020 177.895 176.870 0.009 0.000 1.201 941 L CA 0.281 54.986 54.840 -0.226 0.000 0.869 941 L CB -0.339 41.622 42.059 -0.164 0.000 1.123 941 L HN 0.308 nan 8.230 nan 0.000 0.484 942 R N 3.480 124.099 120.500 0.198 0.000 2.638 942 R HA -0.106 4.234 4.340 0.001 0.000 0.351 942 R C 1.678 178.024 176.300 0.077 0.000 0.871 942 R CA 0.712 56.903 56.100 0.152 0.000 1.091 942 R CB -0.061 30.337 30.300 0.162 0.000 0.900 942 R HN 1.040 nan 8.270 nan 0.000 0.405 943 S N 1.817 117.544 115.700 0.045 0.000 2.574 943 S HA -0.355 4.115 4.470 0.001 0.000 0.307 943 S C 1.778 176.394 174.600 0.028 0.000 1.244 943 S CA 2.515 60.731 58.200 0.026 0.000 1.144 943 S CB -0.705 62.508 63.200 0.021 0.000 1.130 943 S HN 0.775 nan 8.310 nan 0.000 0.444 944 T N -0.992 113.584 114.554 0.037 0.000 2.901 944 T HA 0.244 4.594 4.350 0.001 0.000 0.252 944 T C 0.938 175.665 174.700 0.045 0.000 1.035 944 T CA 0.382 62.504 62.100 0.037 0.000 1.142 944 T CB -0.581 68.309 68.868 0.037 0.000 0.869 944 T HN 0.615 nan 8.240 nan 0.000 0.442 945 E N 2.591 122.831 120.200 0.068 0.000 2.494 945 E HA 0.243 4.594 4.350 0.001 0.000 0.262 945 E C -0.011 176.621 176.600 0.052 0.000 1.294 945 E CA 0.441 56.892 56.400 0.085 0.000 1.062 945 E CB 0.155 29.930 29.700 0.125 0.000 0.982 945 E HN 0.712 nan 8.360 nan 0.000 0.495 946 N N -1.143 117.585 118.700 0.046 0.000 4.107 946 N HA 0.384 5.124 4.740 0.001 0.000 0.213 946 N C -0.623 174.888 175.510 0.002 0.000 1.216 946 N CA -0.022 53.035 53.050 0.013 0.000 0.925 946 N CB 0.806 39.299 38.487 0.009 0.000 1.541 946 N HN 0.623 nan 8.380 nan 0.000 0.524 947 G N -0.085 108.701 108.800 -0.023 0.000 2.513 947 G HA2 0.348 4.308 3.960 0.001 0.000 0.182 947 G HA3 0.348 4.308 3.960 0.001 0.000 0.182 947 G C -1.885 172.981 174.900 -0.056 0.000 1.190 947 G CA -0.472 44.604 45.100 -0.041 0.000 0.987 947 G HN 0.651 nan 8.290 nan 0.000 0.479 948 I N 0.888 121.410 120.570 -0.079 0.000 2.545 948 I HA 0.479 4.649 4.170 0.001 0.000 0.292 948 I C 0.561 176.623 176.117 -0.092 0.000 1.040 948 I CA -1.168 60.087 61.300 -0.076 0.000 1.068 948 I CB 2.101 40.061 38.000 -0.067 0.000 1.251 948 I HN 0.334 nan 8.210 nan 0.000 0.424 949 V N 3.593 123.463 119.914 -0.074 0.000 3.332 949 V HA -0.065 4.056 4.120 0.001 0.000 0.305 949 V C 0.459 176.513 176.094 -0.065 0.000 1.114 949 V CA 0.754 63.013 62.300 -0.069 0.000 1.194 949 V CB 0.908 32.694 31.823 -0.061 0.000 1.027 949 V HN 0.997 nan 8.190 nan 0.000 0.492 950 D N -0.499 119.872 120.400 -0.047 0.000 2.267 950 D HA 0.138 4.778 4.640 0.001 0.000 0.297 950 D C 0.184 176.500 176.300 0.026 0.000 1.087 950 D CA 0.073 54.061 54.000 -0.021 0.000 0.864 950 D CB 0.622 41.387 40.800 -0.057 0.000 1.557 950 D HN 0.595 nan 8.370 nan 0.000 0.523 951 Q N 0.967 120.779 119.800 0.020 0.000 2.887 951 Q HA 0.231 4.571 4.340 0.001 0.000 0.211 951 Q C -2.058 173.946 176.000 0.007 0.000 0.879 951 Q CA -0.369 55.449 55.803 0.025 0.000 1.210 951 Q CB 0.975 29.749 28.738 0.061 0.000 1.663 951 Q HN -0.030 nan 8.270 nan 0.000 0.582 952 V N 4.363 124.267 119.914 -0.018 0.000 2.837 952 V HA 0.717 4.838 4.120 0.001 0.000 0.310 952 V C -0.024 176.048 176.094 -0.037 0.000 1.059 952 V CA -0.656 61.617 62.300 -0.045 0.000 1.004 952 V CB 1.725 33.506 31.823 -0.071 0.000 1.045 952 V HN 0.709 nan 8.190 nan 0.000 0.465 953 L N 1.973 123.163 121.223 -0.055 0.000 2.614 953 L HA 0.754 5.094 4.340 0.001 0.000 0.264 953 L C -1.489 175.357 176.870 -0.039 0.000 0.940 953 L CA -0.586 54.239 54.840 -0.026 0.000 0.903 953 L CB 2.025 44.092 42.059 0.013 0.000 1.306 953 L HN 0.357 nan 8.230 nan 0.000 0.410 954 V N 2.928 122.832 119.914 -0.017 0.000 2.439 954 V HA 0.757 4.877 4.120 0.001 0.000 0.282 954 V C 0.332 176.475 176.094 0.082 0.000 1.039 954 V CA 0.126 62.426 62.300 0.000 0.000 0.913 954 V CB 1.351 33.167 31.823 -0.012 0.000 0.983 954 V HN 1.002 nan 8.190 nan 0.000 0.460 955 T N 2.238 116.888 114.554 0.160 0.000 2.778 955 T HA 0.529 4.880 4.350 0.001 0.000 0.293 955 T C -0.455 174.381 174.700 0.227 0.000 1.144 955 T CA -0.593 61.629 62.100 0.204 0.000 1.010 955 T CB 2.136 71.171 68.868 0.278 0.000 1.325 955 T HN 0.602 nan 8.240 nan 0.000 0.515 956 T N 2.109 116.762 114.554 0.165 0.000 2.912 956 T HA 0.653 5.003 4.350 0.001 0.000 0.288 956 T C -0.701 174.031 174.700 0.053 0.000 1.030 956 T CA -0.742 61.434 62.100 0.127 0.000 1.020 956 T CB 1.272 70.192 68.868 0.087 0.000 1.056 956 T HN 0.580 nan 8.240 nan 0.000 0.480 957 N N 0.993 119.709 118.700 0.027 0.000 2.354 957 N HA 0.238 4.978 4.740 0.001 0.000 0.287 957 N C 1.115 176.599 175.510 -0.043 0.000 1.016 957 N CA -0.421 52.587 53.050 -0.070 0.000 0.871 957 N CB 0.978 39.400 38.487 -0.109 0.000 1.299 957 N HN 0.657 nan 8.380 nan 0.000 0.482 958 Q N 1.261 121.023 119.800 -0.064 0.000 2.483 958 Q HA -0.360 3.980 4.340 0.001 0.000 0.229 958 Q C -0.055 175.928 176.000 -0.028 0.000 1.113 958 Q CA 2.733 58.505 55.803 -0.051 0.000 1.004 958 Q CB -0.573 28.136 28.738 -0.048 0.000 1.033 958 Q HN 0.771 nan 8.270 nan 0.000 0.534 959 D N -0.868 119.521 120.400 -0.018 0.000 2.392 959 D HA 0.043 4.684 4.640 0.001 0.000 0.228 959 D C 1.059 177.364 176.300 0.008 0.000 1.003 959 D CA 1.105 55.102 54.000 -0.005 0.000 0.917 959 D CB 0.015 40.811 40.800 -0.007 0.000 0.890 959 D HN 0.641 nan 8.370 nan 0.000 0.532 960 G N 1.032 109.841 108.800 0.014 0.000 2.147 960 G HA2 -0.283 3.677 3.960 0.001 0.000 0.244 960 G HA3 -0.283 3.677 3.960 0.001 0.000 0.244 960 G C 0.223 175.155 174.900 0.054 0.000 1.005 960 G CA -0.079 45.041 45.100 0.032 0.000 0.713 960 G HN 0.313 nan 8.290 nan 0.000 0.515 961 L N -0.503 120.758 121.223 0.064 0.000 2.375 961 L HA 0.476 4.816 4.340 0.001 0.000 0.271 961 L C 0.964 177.933 176.870 0.165 0.000 1.107 961 L CA -0.807 54.089 54.840 0.094 0.000 0.806 961 L CB 0.867 42.977 42.059 0.085 0.000 1.146 961 L HN -0.045 nan 8.230 nan 0.000 0.447 962 K N 2.280 122.801 120.400 0.201 0.000 2.315 962 K HA 0.185 4.505 4.320 0.001 0.000 0.291 962 K C -0.914 175.958 176.600 0.454 0.000 1.074 962 K CA -0.080 56.398 56.287 0.318 0.000 0.936 962 K CB 0.282 33.022 32.500 0.400 0.000 1.049 962 K HN 0.272 nan 8.250 nan 0.000 0.471 963 F N 4.190 124.256 119.950 0.195 0.000 2.410 963 F HA 0.307 4.834 4.527 0.001 0.000 0.349 963 F C -0.651 175.213 175.800 0.107 0.000 1.117 963 F CA -0.679 57.419 58.000 0.162 0.000 1.104 963 F CB 0.833 39.893 39.000 0.098 0.000 1.122 963 F HN 0.068 nan 8.300 nan 0.000 0.483 964 V N 6.679 126.345 119.914 -0.414 0.000 2.577 964 V HA 0.393 4.513 4.120 0.001 0.000 0.303 964 V C -0.856 174.941 176.094 -0.495 0.000 1.042 964 V CA -1.010 61.031 62.300 -0.431 0.000 0.872 964 V CB 2.129 33.651 31.823 -0.502 0.000 0.998 964 V HN 0.644 nan 8.190 nan 0.000 0.423 965 K N 3.659 123.841 120.400 -0.364 0.000 2.292 965 K HA 0.801 5.121 4.320 0.001 0.000 0.257 965 K C -1.385 175.146 176.600 -0.114 0.000 0.940 965 K CA -0.678 55.471 56.287 -0.230 0.000 0.811 965 K CB 2.581 34.984 32.500 -0.161 0.000 1.120 965 K HN 0.426 nan 8.250 nan 0.000 0.428 966 V N 2.754 122.639 119.914 -0.048 0.000 2.604 966 V HA 0.473 4.594 4.120 0.001 0.000 0.305 966 V C -0.393 175.744 176.094 0.071 0.000 1.043 966 V CA -0.974 61.321 62.300 -0.009 0.000 0.888 966 V CB 1.771 33.571 31.823 -0.038 0.000 0.995 966 V HN 0.700 nan 8.190 nan 0.000 0.429 967 R N 2.797 123.325 120.500 0.047 0.000 2.480 967 R HA 0.782 5.122 4.340 0.001 0.000 0.306 967 R C -1.811 174.495 176.300 0.009 0.000 0.958 967 R CA -0.373 55.760 56.100 0.055 0.000 0.861 967 R CB 2.018 32.374 30.300 0.093 0.000 1.171 967 R HN 0.563 nan 8.270 nan 0.000 0.445 968 V N 4.722 124.618 119.914 -0.030 0.000 2.581 968 V HA 0.531 4.651 4.120 0.001 0.000 0.303 968 V C -0.113 175.796 176.094 -0.308 0.000 1.041 968 V CA -0.747 61.484 62.300 -0.115 0.000 0.907 968 V CB 1.711 33.509 31.823 -0.042 0.000 0.994 968 V HN 0.689 nan 8.190 nan 0.000 0.442 969 R N 2.454 122.727 120.500 -0.379 0.000 2.711 969 R HA 0.791 5.131 4.340 0.001 0.000 0.284 969 R C -1.223 174.871 176.300 -0.342 0.000 0.968 969 R CA -0.176 55.542 56.100 -0.636 0.000 0.924 969 R CB 2.201 31.973 30.300 -0.880 0.000 1.162 969 R HN 0.830 nan 8.270 nan 0.000 0.465 970 T N 0.953 115.347 114.554 -0.266 0.000 2.868 970 T HA 0.311 4.662 4.350 0.001 0.000 0.306 970 T C -1.026 173.691 174.700 0.028 0.000 1.224 970 T CA -0.545 61.519 62.100 -0.059 0.000 1.012 970 T CB 1.914 70.814 68.868 0.054 0.000 1.221 970 T HN 0.453 nan 8.240 nan 0.000 0.499 971 T N 2.492 117.072 114.554 0.043 0.000 2.794 971 T HA 0.499 4.850 4.350 0.001 0.000 0.280 971 T C -0.523 174.167 174.700 -0.015 0.000 0.987 971 T CA -0.697 61.426 62.100 0.037 0.000 0.993 971 T CB 0.748 69.644 68.868 0.047 0.000 0.939 971 T HN 0.332 nan 8.240 nan 0.000 0.449 972 K N 3.274 123.639 120.400 -0.058 0.000 2.307 972 K HA 0.534 4.854 4.320 0.001 0.000 0.263 972 K C -0.594 175.935 176.600 -0.119 0.000 0.973 972 K CA -0.569 55.675 56.287 -0.071 0.000 0.846 972 K CB 1.748 34.201 32.500 -0.078 0.000 1.100 972 K HN 0.505 nan 8.250 nan 0.000 0.438 973 I N 5.088 125.601 120.570 -0.096 0.000 2.385 973 I HA 0.229 4.399 4.170 0.001 0.000 0.294 973 I C -1.838 174.251 176.117 -0.047 0.000 0.988 973 I CA -2.506 58.742 61.300 -0.087 0.000 1.265 973 I CB 1.454 39.410 38.000 -0.072 0.000 1.388 973 I HN 0.364 nan 8.210 nan 0.000 0.480 974 P HA -0.024 nan 4.420 nan 0.000 0.260 974 P C -0.938 176.363 177.300 0.002 0.000 1.185 974 P CA 0.354 63.482 63.100 0.047 0.000 0.763 974 P CB 1.080 32.914 31.700 0.224 0.000 0.776 975 Q N 2.382 122.149 119.800 -0.054 0.000 2.990 975 Q HA 0.383 4.724 4.340 0.001 0.000 0.255 975 Q C 1.295 177.255 176.000 -0.066 0.000 1.040 975 Q CA -0.875 54.894 55.803 -0.057 0.000 0.897 975 Q CB 1.210 29.906 28.738 -0.070 0.000 1.429 975 Q HN 0.256 nan 8.270 nan 0.000 0.497 976 I N -0.239 120.293 120.570 -0.063 0.000 2.584 976 I HA -0.006 4.165 4.170 0.001 0.000 0.255 976 I C 1.696 177.765 176.117 -0.080 0.000 1.145 976 I CA 1.052 62.317 61.300 -0.058 0.000 1.462 976 I CB -0.110 37.865 38.000 -0.042 0.000 1.102 976 I HN 0.801 nan 8.210 nan 0.000 0.433 977 G N 0.070 108.814 108.800 -0.093 0.000 2.650 977 G HA2 -0.089 3.871 3.960 0.001 0.000 0.214 977 G HA3 -0.089 3.871 3.960 0.001 0.000 0.214 977 G C 0.242 175.044 174.900 -0.165 0.000 1.136 977 G CA -0.070 44.967 45.100 -0.107 0.000 0.789 977 G HN 0.246 nan 8.290 nan 0.000 0.536 978 D N 0.114 120.380 120.400 -0.224 0.000 2.443 978 D HA 0.266 4.906 4.640 0.001 0.000 0.234 978 D C 0.509 176.511 176.300 -0.497 0.000 1.172 978 D CA 0.551 54.326 54.000 -0.375 0.000 0.878 978 D CB 0.914 41.433 40.800 -0.468 0.000 1.204 978 D HN 0.144 nan 8.370 nan 0.000 0.453 979 K N 0.610 120.660 120.400 -0.583 0.000 2.123 979 K HA 0.674 4.995 4.320 0.001 0.000 0.248 979 K C -1.196 174.918 176.600 -0.810 0.000 0.969 979 K CA -0.555 55.441 56.287 -0.485 0.000 0.882 979 K CB 0.859 33.220 32.500 -0.232 0.000 1.080 979 K HN 0.403 nan 8.250 nan 0.000 0.441 980 F N -0.027 119.845 119.950 -0.130 0.000 2.719 980 F HA 0.576 5.104 4.527 0.001 0.000 0.309 980 F C -1.027 174.772 175.800 -0.002 0.000 1.138 980 F CA -0.955 56.953 58.000 -0.154 0.000 0.943 980 F CB 2.472 41.275 39.000 -0.329 0.000 1.304 980 F HN 0.641 nan 8.300 nan 0.000 0.445 981 A N 1.073 124.123 122.820 0.384 0.000 2.594 981 A HA 0.648 4.968 4.320 0.001 0.000 0.296 981 A C -0.566 177.278 177.584 0.433 0.000 1.061 981 A CA -0.228 52.054 52.037 0.409 0.000 0.689 981 A CB 1.260 20.390 19.000 0.218 0.000 1.280 981 A HN 0.924 nan 8.150 nan 0.000 0.406 982 S N 1.209 117.082 115.700 0.287 0.000 2.401 982 S HA 0.380 4.850 4.470 0.001 0.000 0.249 982 S C 0.564 175.159 174.600 -0.008 0.000 1.237 982 S CA 0.125 58.209 58.200 -0.192 0.000 1.000 982 S CB 0.100 63.194 63.200 -0.176 0.000 1.013 982 S HN 0.672 nan 8.310 nan 0.000 0.494 983 R N 0.382 120.849 120.500 -0.054 0.000 2.633 983 R HA 0.329 4.670 4.340 0.001 0.000 0.348 983 R C -0.408 175.581 176.300 -0.518 0.000 1.100 983 R CA -0.106 55.843 56.100 -0.252 0.000 1.068 983 R CB 0.027 30.140 30.300 -0.312 0.000 1.351 983 R HN 0.606 nan 8.270 nan 0.000 0.575 984 H N -0.786 118.331 119.070 0.078 0.000 2.823 984 H HA 0.142 4.699 4.556 0.001 0.000 0.222 984 H C 0.448 175.821 175.328 0.076 0.000 1.414 984 H CA -0.252 55.843 56.048 0.077 0.000 1.289 984 H CB 1.141 30.971 29.762 0.113 0.000 1.970 984 H HN 0.399 nan 8.280 nan 0.000 0.517 985 G N 2.154 111.061 108.800 0.178 0.000 2.422 985 G HA2 -0.345 3.616 3.960 0.001 0.000 0.301 985 G HA3 -0.345 3.616 3.960 0.001 0.000 0.301 985 G C 0.567 175.576 174.900 0.181 0.000 0.981 985 G CA 0.570 45.798 45.100 0.213 0.000 0.994 985 G HN 0.410 nan 8.290 nan 0.000 0.514 986 Q N -0.104 119.807 119.800 0.185 0.000 2.286 986 Q HA 0.270 4.610 4.340 0.001 0.000 0.281 986 Q C 1.170 177.283 176.000 0.188 0.000 0.897 986 Q CA -0.167 55.728 55.803 0.155 0.000 1.023 986 Q CB -0.057 28.770 28.738 0.149 0.000 1.151 986 Q HN 0.805 nan 8.270 nan 0.000 0.445 987 K N -1.360 119.131 120.400 0.152 0.000 2.485 987 K HA 0.436 4.756 4.320 0.001 0.000 0.277 987 K C 0.152 176.804 176.600 0.087 0.000 0.990 987 K CA 0.364 56.722 56.287 0.119 0.000 0.994 987 K CB 0.523 33.062 32.500 0.065 0.000 0.906 987 K HN 0.161 nan 8.250 nan 0.000 0.488 988 G N 0.934 109.775 108.800 0.069 0.000 2.579 988 G HA2 0.397 4.358 3.960 0.001 0.000 0.292 988 G HA3 0.397 4.358 3.960 0.001 0.000 0.292 988 G C -1.144 173.754 174.900 -0.004 0.000 1.484 988 G CA -0.609 44.509 45.100 0.031 0.000 0.813 988 G HN 0.821 nan 8.290 nan 0.000 0.515 989 T N -1.379 113.154 114.554 -0.036 0.000 2.949 989 T HA 0.761 5.111 4.350 0.001 0.000 0.287 989 T C 0.647 175.326 174.700 -0.035 0.000 1.034 989 T CA -0.797 61.253 62.100 -0.083 0.000 1.018 989 T CB 1.235 70.035 68.868 -0.112 0.000 1.135 989 T HN 0.517 nan 8.240 nan 0.000 0.532 990 I N 0.659 121.198 120.570 -0.051 0.000 3.004 990 I HA 0.391 4.561 4.170 0.001 0.000 0.287 990 I C 1.534 177.656 176.117 0.008 0.000 1.144 990 I CA -0.005 61.298 61.300 0.006 0.000 1.353 990 I CB 0.674 38.677 38.000 0.006 0.000 1.417 990 I HN 1.005 nan 8.210 nan 0.000 0.602 991 G N 4.213 113.042 108.800 0.048 0.000 2.884 991 G HA2 0.328 4.289 3.960 0.001 0.000 0.198 991 G HA3 0.328 4.289 3.960 0.001 0.000 0.198 991 G C 0.030 174.991 174.900 0.103 0.000 1.083 991 G CA 0.230 45.386 45.100 0.094 0.000 0.740 991 G HN 0.511 nan 8.290 nan 0.000 0.690 992 I N 0.748 121.336 120.570 0.031 0.000 3.149 992 I HA 0.512 4.682 4.170 0.001 0.000 0.310 992 I C -1.364 174.640 176.117 -0.189 0.000 1.343 992 I CA -0.831 60.379 61.300 -0.150 0.000 0.955 992 I CB 2.361 40.112 38.000 -0.415 0.000 1.309 992 I HN 0.180 nan 8.210 nan 0.000 0.478 993 T N 0.623 115.011 114.554 -0.277 0.000 2.856 993 T HA 0.658 5.008 4.350 0.001 0.000 0.283 993 T C -1.067 173.462 174.700 -0.286 0.000 1.008 993 T CA -0.470 61.531 62.100 -0.166 0.000 0.997 993 T CB 1.522 70.344 68.868 -0.077 0.000 0.992 993 T HN 0.490 nan 8.240 nan 0.000 0.454 994 Y N -0.080 120.228 120.300 0.014 0.000 2.693 994 Y HA 0.734 5.284 4.550 0.001 0.000 0.331 994 Y C 0.665 176.591 175.900 0.042 0.000 1.092 994 Y CA -1.507 56.613 58.100 0.033 0.000 1.131 994 Y CB 2.243 40.749 38.460 0.077 0.000 1.318 994 Y HN 0.530 nan 8.280 nan 0.000 0.510 995 R N -0.376 120.285 120.500 0.267 0.000 2.892 995 R HA 0.438 4.779 4.340 0.001 0.000 0.265 995 R C 0.753 177.146 176.300 0.155 0.000 1.025 995 R CA -0.931 55.265 56.100 0.160 0.000 0.982 995 R CB 1.489 31.857 30.300 0.114 0.000 1.185 995 R HN 0.647 nan 8.270 nan 0.000 0.484 996 R N 0.917 121.487 120.500 0.117 0.000 2.153 996 R HA -0.270 4.070 4.340 0.001 0.000 0.252 996 R C 1.255 177.642 176.300 0.144 0.000 1.158 996 R CA 2.118 58.288 56.100 0.116 0.000 0.975 996 R CB -0.164 30.182 30.300 0.077 0.000 0.871 996 R HN 0.565 nan 8.270 nan 0.000 0.450 997 E N 0.359 120.638 120.200 0.131 0.000 2.051 997 E HA -0.160 4.190 4.350 0.001 0.000 0.192 997 E C 1.323 178.049 176.600 0.211 0.000 0.991 997 E CA 1.458 57.946 56.400 0.147 0.000 0.799 997 E CB -0.098 29.666 29.700 0.107 0.000 0.748 997 E HN 0.372 nan 8.360 nan 0.000 0.449 998 D N -0.391 120.137 120.400 0.214 0.000 2.348 998 D HA 0.039 4.679 4.640 0.001 0.000 0.211 998 D C 0.318 176.719 176.300 0.168 0.000 0.998 998 D CA 0.083 54.243 54.000 0.267 0.000 0.873 998 D CB 0.009 40.978 40.800 0.282 0.000 0.925 998 D HN 0.152 nan 8.370 nan 0.000 0.524 999 M N 2.496 122.176 119.600 0.133 0.000 2.233 999 M HA 0.187 4.667 4.480 0.001 0.000 0.350 999 M C -2.412 173.882 176.300 -0.009 0.000 1.176 999 M CA -1.832 53.478 55.300 0.016 0.000 1.150 999 M CB 1.039 33.676 32.600 0.062 0.000 1.530 999 M HN -0.273 nan 8.290 nan 0.000 0.459 1000 P HA 0.172 nan 4.420 nan 0.000 0.271 1000 P C -1.507 175.740 177.300 -0.088 0.000 1.216 1000 P CA 0.003 62.881 63.100 -0.370 0.000 0.771 1000 P CB -0.004 31.210 31.700 -0.809 0.000 0.864 1001 F N -0.426 119.569 119.950 0.075 0.000 2.593 1001 F HA 0.714 5.242 4.527 0.001 0.000 0.320 1001 F C -0.379 175.566 175.800 0.242 0.000 1.060 1001 F CA -1.492 56.601 58.000 0.155 0.000 0.940 1001 F CB 1.098 40.166 39.000 0.112 0.000 1.268 1001 F HN 0.235 nan 8.300 nan 0.000 0.475 1002 T N 1.186 116.058 114.554 0.530 0.000 2.767 1002 T HA 0.533 4.884 4.350 0.001 0.000 0.284 1002 T C 1.138 176.077 174.700 0.398 0.000 0.973 1002 T CA -0.052 62.283 62.100 0.393 0.000 0.996 1002 T CB 1.051 69.992 68.868 0.121 0.000 0.927 1002 T HN 1.196 nan 8.240 nan 0.000 0.456 1003 A N 4.276 127.362 122.820 0.443 0.000 2.001 1003 A HA -0.206 4.114 4.320 0.001 0.000 0.224 1003 A C 2.194 179.844 177.584 0.110 0.000 1.203 1003 A CA 2.177 54.353 52.037 0.232 0.000 0.667 1003 A CB -0.826 18.325 19.000 0.252 0.000 0.823 1003 A HN 0.915 nan 8.150 nan 0.000 0.473 1004 E N -1.993 118.283 120.200 0.127 0.000 2.147 1004 E HA -0.146 4.205 4.350 0.001 0.000 0.199 1004 E C 1.702 178.319 176.600 0.029 0.000 1.005 1004 E CA 1.604 58.052 56.400 0.080 0.000 0.810 1004 E CB -0.406 29.354 29.700 0.101 0.000 0.736 1004 E HN 1.005 nan 8.360 nan 0.000 0.460 1005 G N 0.074 108.893 108.800 0.031 0.000 2.336 1005 G HA2 -0.218 3.743 3.960 0.001 0.000 0.194 1005 G HA3 -0.218 3.743 3.960 0.001 0.000 0.194 1005 G C 0.511 175.421 174.900 0.016 0.000 0.999 1005 G CA 0.080 45.166 45.100 -0.024 0.000 0.669 1005 G HN 0.232 nan 8.290 nan 0.000 0.482 1006 I N 0.469 121.051 120.570 0.020 0.000 2.892 1006 I HA 0.605 4.775 4.170 0.001 0.000 0.287 1006 I C 0.607 176.829 176.117 0.175 0.000 1.205 1006 I CA -0.722 60.589 61.300 0.020 0.000 1.409 1006 I CB 1.103 39.000 38.000 -0.171 0.000 1.367 1006 I HN 0.073 nan 8.210 nan 0.000 0.597 1007 V N 4.777 124.844 119.914 0.255 0.000 3.087 1007 V HA 0.550 4.671 4.120 0.001 0.000 0.306 1007 V C -2.336 173.953 176.094 0.324 0.000 1.187 1007 V CA -1.597 60.900 62.300 0.328 0.000 0.999 1007 V CB 2.742 34.685 31.823 0.201 0.000 1.049 1007 V HN 0.803 nan 8.190 nan 0.000 0.431 1008 P HA 0.356 nan 4.420 nan 0.000 0.274 1008 P C -0.719 176.581 177.300 0.000 0.000 1.256 1008 P CA 0.067 63.133 63.100 -0.056 0.000 0.795 1008 P CB 1.256 32.712 31.700 -0.407 0.000 1.038 1009 D N -0.718 119.680 120.400 -0.003 0.000 2.431 1009 D HA 0.137 4.777 4.640 0.001 0.000 0.227 1009 D C 0.371 176.659 176.300 -0.019 0.000 1.030 1009 D CA 0.774 54.784 54.000 0.017 0.000 0.897 1009 D CB 0.356 41.178 40.800 0.037 0.000 1.058 1009 D HN 0.118 nan 8.370 nan 0.000 0.500 1010 L N 0.406 121.593 121.223 -0.060 0.000 2.301 1010 L HA 0.514 4.855 4.340 0.001 0.000 0.264 1010 L C -1.099 175.706 176.870 -0.109 0.000 1.016 1010 L CA -0.813 53.966 54.840 -0.102 0.000 0.821 1010 L CB 2.317 44.274 42.059 -0.169 0.000 1.346 1010 L HN -0.142 nan 8.230 nan 0.000 0.429 1011 I N 4.099 124.621 120.570 -0.079 0.000 2.678 1011 I HA 0.270 4.441 4.170 0.001 0.000 0.269 1011 I C -0.390 175.718 176.117 -0.014 0.000 1.323 1011 I CA -0.268 60.987 61.300 -0.074 0.000 0.982 1011 I CB 0.892 38.853 38.000 -0.064 0.000 1.321 1011 I HN 0.459 nan 8.210 nan 0.000 0.519 1012 I N 0.192 120.762 120.570 0.000 0.000 2.612 1012 I HA 0.444 4.614 4.170 0.001 0.000 0.295 1012 I C 0.235 176.366 176.117 0.023 0.000 1.011 1012 I CA -0.250 61.068 61.300 0.030 0.000 1.326 1012 I CB 1.120 39.163 38.000 0.072 0.000 1.427 1012 I HN 0.406 nan 8.210 nan 0.000 0.537 1013 N N 5.760 124.481 118.700 0.035 0.000 2.497 1013 N HA 0.192 4.932 4.740 0.001 0.000 0.271 1013 N C -1.632 173.864 175.510 -0.023 0.000 1.142 1013 N CA -1.652 51.415 53.050 0.028 0.000 0.965 1013 N CB 1.407 39.950 38.487 0.094 0.000 1.077 1013 N HN 0.498 nan 8.380 nan 0.000 0.462 1014 P HA -0.178 nan 4.420 nan 0.000 0.216 1014 P C 0.893 178.099 177.300 -0.157 0.000 1.150 1014 P CA 1.431 64.430 63.100 -0.168 0.000 0.843 1014 P CB 0.011 31.566 31.700 -0.241 0.000 0.787 1015 H N 0.573 119.625 119.070 -0.030 0.000 2.426 1015 H HA -0.058 4.499 4.556 0.001 0.000 0.298 1015 H C 1.762 177.066 175.328 -0.040 0.000 1.107 1015 H CA 1.537 57.567 56.048 -0.031 0.000 1.298 1015 H CB -0.793 28.956 29.762 -0.022 0.000 1.377 1015 H HN 0.170 nan 8.280 nan 0.000 0.519 1016 A N 0.711 123.569 122.820 0.063 0.000 2.258 1016 A HA 0.016 4.337 4.320 0.001 0.000 0.206 1016 A C 1.823 179.378 177.584 -0.048 0.000 1.222 1016 A CA 0.318 52.359 52.037 0.008 0.000 0.822 1016 A CB -0.433 18.565 19.000 -0.004 0.000 0.804 1016 A HN 0.126 nan 8.150 nan 0.000 0.483 1017 I N -0.611 119.925 120.570 -0.057 0.000 4.056 1017 I HA 0.097 4.268 4.170 0.001 0.000 0.232 1017 I C -0.521 175.562 176.117 -0.057 0.000 1.031 1017 I CA -0.287 60.959 61.300 -0.090 0.000 1.571 1017 I CB -2.039 35.886 38.000 -0.124 0.000 1.470 1017 I HN 0.004 nan 8.210 nan 0.000 0.463 1018 P HA -0.296 nan 4.420 nan 0.000 0.229 1018 P C 1.830 179.118 177.300 -0.019 0.000 1.073 1018 P CA 3.356 66.441 63.100 -0.025 0.000 1.022 1018 P CB -0.210 31.489 31.700 -0.002 0.000 0.752 1019 S N -2.417 113.276 115.700 -0.011 0.000 2.436 1019 S HA -0.040 4.431 4.470 0.001 0.000 0.228 1019 S C 1.835 176.422 174.600 -0.022 0.000 1.014 1019 S CA 0.494 58.687 58.200 -0.012 0.000 0.950 1019 S CB -0.615 62.582 63.200 -0.005 0.000 0.784 1019 S HN 0.011 nan 8.310 nan 0.000 0.504 1020 R N 0.836 121.319 120.500 -0.029 0.000 2.115 1020 R HA 0.221 4.561 4.340 0.001 0.000 0.226 1020 R C 0.846 177.119 176.300 -0.044 0.000 1.100 1020 R CA 0.573 56.650 56.100 -0.039 0.000 0.980 1020 R CB -0.938 29.336 30.300 -0.044 0.000 0.875 1020 R HN 0.506 nan 8.270 nan 0.000 0.445 1021 M N 1.237 120.812 119.600 -0.041 0.000 2.249 1021 M HA -0.171 4.310 4.480 0.001 0.000 0.198 1021 M C -0.224 176.058 176.300 -0.030 0.000 0.394 1021 M CA 0.940 56.220 55.300 -0.034 0.000 0.427 1021 M CB -1.483 31.103 32.600 -0.024 0.000 1.307 1021 M HN 0.068 nan 8.290 nan 0.000 0.924 1022 T N -0.731 113.794 114.554 -0.047 0.000 3.029 1022 T HA 0.503 4.854 4.350 0.001 0.000 0.346 1022 T C 0.800 175.460 174.700 -0.067 0.000 1.211 1022 T CA -0.622 61.456 62.100 -0.037 0.000 1.009 1022 T CB 0.530 69.373 68.868 -0.042 0.000 1.084 1022 T HN 0.215 nan 8.240 nan 0.000 0.536 1023 V N 4.520 124.419 119.914 -0.025 0.000 2.488 1023 V HA 0.032 4.152 4.120 0.001 0.000 0.246 1023 V C 2.976 179.030 176.094 -0.066 0.000 1.046 1023 V CA 1.727 63.998 62.300 -0.049 0.000 1.053 1023 V CB -1.164 30.648 31.823 -0.017 0.000 0.679 1023 V HN 0.917 nan 8.190 nan 0.000 0.458 1024 A N 0.216 123.039 122.820 0.005 0.000 1.896 1024 A HA -0.399 3.922 4.320 0.001 0.000 0.220 1024 A C 2.243 179.766 177.584 -0.102 0.000 1.206 1024 A CA 2.618 54.711 52.037 0.093 0.000 0.647 1024 A CB -1.163 18.049 19.000 0.353 0.000 0.828 1024 A HN 0.713 nan 8.150 nan 0.000 0.455 1025 H N 0.021 118.615 119.070 -0.793 0.000 2.321 1025 H HA -0.153 4.404 4.556 0.001 0.000 0.295 1025 H C 1.988 177.201 175.328 -0.192 0.000 1.102 1025 H CA 2.184 57.756 56.048 -0.793 0.000 1.266 1025 H CB -0.464 28.884 29.762 -0.689 0.000 1.363 1025 H HN 0.445 nan 8.280 nan 0.000 0.492 1026 L N 0.176 121.428 121.223 0.050 0.000 2.079 1026 L HA -0.207 4.134 4.340 0.001 0.000 0.210 1026 L C 2.860 179.801 176.870 0.117 0.000 1.081 1026 L CA 1.284 56.142 54.840 0.030 0.000 0.752 1026 L CB -0.275 41.687 42.059 -0.161 0.000 0.896 1026 L HN 0.297 nan 8.230 nan 0.000 0.433 1027 I N -0.720 119.888 120.570 0.063 0.000 2.333 1027 I HA -0.257 3.913 4.170 0.001 0.000 0.246 1027 I C 2.491 178.766 176.117 0.263 0.000 1.106 1027 I CA 0.945 62.310 61.300 0.108 0.000 1.411 1027 I CB -0.390 37.521 38.000 -0.149 0.000 1.082 1027 I HN 0.324 nan 8.210 nan 0.000 0.420 1028 E N 0.911 121.268 120.200 0.260 0.000 2.086 1028 E HA -0.347 4.003 4.350 0.001 0.000 0.200 1028 E C 2.354 179.007 176.600 0.089 0.000 1.012 1028 E CA 2.244 58.732 56.400 0.146 0.000 0.812 1028 E CB -0.227 29.495 29.700 0.037 0.000 0.743 1028 E HN 0.556 nan 8.360 nan 0.000 0.453 1029 C N -0.114 119.240 119.300 0.089 0.000 2.396 1029 C HA -0.189 4.271 4.460 0.001 0.000 0.281 1029 C C 2.618 177.626 174.990 0.031 0.000 1.208 1029 C CA 1.184 60.233 59.018 0.051 0.000 1.754 1029 C CB -1.315 26.502 27.740 0.128 0.000 2.044 1029 C HN 0.657 nan 8.230 nan 0.000 0.449 1030 L N 0.648 121.949 121.223 0.129 0.000 1.991 1030 L HA -0.161 4.180 4.340 0.001 0.000 0.221 1030 L C 2.365 179.278 176.870 0.073 0.000 1.079 1030 L CA 2.310 57.208 54.840 0.098 0.000 0.778 1030 L CB -1.277 40.897 42.059 0.190 0.000 0.893 1030 L HN 0.493 nan 8.230 nan 0.000 0.437 1031 L N -1.296 120.001 121.223 0.123 0.000 2.013 1031 L HA -0.237 4.104 4.340 0.001 0.000 0.212 1031 L C 2.497 179.394 176.870 0.044 0.000 1.073 1031 L CA 2.236 57.147 54.840 0.118 0.000 0.753 1031 L CB -1.041 41.148 42.059 0.216 0.000 0.890 1031 L HN 0.312 nan 8.230 nan 0.000 0.432 1032 S N -0.773 114.937 115.700 0.017 0.000 2.368 1032 S HA -0.181 4.290 4.470 0.001 0.000 0.224 1032 S C 1.918 176.485 174.600 -0.055 0.000 1.029 1032 S CA 1.257 59.442 58.200 -0.025 0.000 0.988 1032 S CB -0.304 62.879 63.200 -0.028 0.000 0.838 1032 S HN 0.458 nan 8.310 nan 0.000 0.462 1033 K N 1.003 121.359 120.400 -0.073 0.000 2.442 1033 K HA -0.037 4.284 4.320 0.001 0.000 0.198 1033 K C 1.508 178.029 176.600 -0.132 0.000 1.044 1033 K CA 0.597 56.804 56.287 -0.134 0.000 0.948 1033 K CB 0.002 32.393 32.500 -0.182 0.000 0.762 1033 K HN 0.166 nan 8.250 nan 0.000 0.472 1034 V N 0.284 120.153 119.914 -0.075 0.000 2.423 1034 V HA -0.059 4.062 4.120 0.001 0.000 0.233 1034 V C 2.083 178.119 176.094 -0.097 0.000 1.067 1034 V CA 1.541 63.797 62.300 -0.073 0.000 1.073 1034 V CB -0.362 31.473 31.823 0.021 0.000 0.715 1034 V HN 0.391 nan 8.190 nan 0.000 0.485 1035 A N 0.090 122.886 122.820 -0.040 0.000 2.093 1035 A HA -0.220 4.100 4.320 0.001 0.000 0.222 1035 A C 2.249 179.795 177.584 -0.063 0.000 1.162 1035 A CA 2.272 54.288 52.037 -0.036 0.000 0.655 1035 A CB -0.754 18.230 19.000 -0.026 0.000 0.805 1035 A HN 0.664 nan 8.150 nan 0.000 0.461 1036 A N -0.635 122.134 122.820 -0.086 0.000 1.969 1036 A HA 0.068 4.389 4.320 0.001 0.000 0.218 1036 A C 2.082 179.604 177.584 -0.103 0.000 1.169 1036 A CA 1.430 53.414 52.037 -0.089 0.000 0.635 1036 A CB -0.372 18.567 19.000 -0.101 0.000 0.810 1036 A HN 0.497 nan 8.150 nan 0.000 0.445 1037 L N -0.269 120.855 121.223 -0.165 0.000 2.249 1037 L HA -0.029 4.312 4.340 0.001 0.000 0.207 1037 L C 2.614 179.405 176.870 -0.132 0.000 1.090 1037 L CA 1.232 55.942 54.840 -0.217 0.000 0.802 1037 L CB -0.147 41.606 42.059 -0.510 0.000 0.947 1037 L HN 0.509 nan 8.230 nan 0.000 0.453 1038 S N -0.687 114.961 115.700 -0.087 0.000 2.548 1038 S HA 0.131 4.602 4.470 0.001 0.000 0.215 1038 S C 1.548 176.165 174.600 0.028 0.000 0.976 1038 S CA 0.334 58.568 58.200 0.056 0.000 0.908 1038 S CB 0.235 63.511 63.200 0.127 0.000 0.781 1038 S HN 0.445 nan 8.310 nan 0.000 0.519 1039 G N 1.980 110.775 108.800 -0.008 0.000 2.283 1039 G HA2 -0.233 3.727 3.960 0.001 0.000 0.280 1039 G HA3 -0.233 3.727 3.960 0.001 0.000 0.280 1039 G C -0.323 174.574 174.900 -0.005 0.000 1.029 1039 G CA 0.128 45.221 45.100 -0.011 0.000 0.840 1039 G HN 0.553 nan 8.290 nan 0.000 0.505 1040 N N 0.656 119.355 118.700 -0.001 0.000 2.626 1040 N HA 0.212 4.952 4.740 0.001 0.000 0.249 1040 N C 0.009 175.513 175.510 -0.009 0.000 1.021 1040 N CA -0.431 52.621 53.050 0.004 0.000 0.886 1040 N CB 1.179 39.682 38.487 0.027 0.000 1.149 1040 N HN 0.553 nan 8.380 nan 0.000 0.517 1041 E N 1.379 121.563 120.200 -0.027 0.000 3.089 1041 E HA -0.098 4.253 4.350 0.001 0.000 0.226 1041 E C 0.411 176.990 176.600 -0.035 0.000 1.083 1041 E CA 0.001 56.373 56.400 -0.045 0.000 0.938 1041 E CB 0.054 29.718 29.700 -0.059 0.000 0.942 1041 E HN 0.521 nan 8.360 nan 0.000 0.549 1042 G N 4.597 113.379 108.800 -0.031 0.000 2.299 1042 G HA2 -0.064 3.896 3.960 0.001 0.000 0.256 1042 G HA3 -0.064 3.896 3.960 0.001 0.000 0.256 1042 G C -0.314 174.566 174.900 -0.032 0.000 1.259 1042 G CA -0.432 44.664 45.100 -0.007 0.000 0.943 1042 G HN 0.616 nan 8.290 nan 0.000 0.479 1043 D N 1.425 121.828 120.400 0.005 0.000 2.325 1043 D HA 0.447 5.087 4.640 0.001 0.000 0.251 1043 D C 0.769 177.072 176.300 0.004 0.000 1.196 1043 D CA -0.052 53.940 54.000 -0.013 0.000 0.866 1043 D CB 1.109 41.926 40.800 0.029 0.000 1.101 1043 D HN 0.317 nan 8.370 nan 0.000 0.476 1044 A N 3.101 125.795 122.820 -0.210 0.000 2.535 1044 A HA 0.248 4.568 4.320 0.001 0.000 0.273 1044 A C 0.808 178.195 177.584 -0.329 0.000 1.267 1044 A CA -0.453 51.191 52.037 -0.656 0.000 0.940 1044 A CB -0.020 18.130 19.000 -1.417 0.000 1.101 1044 A HN 0.468 nan 8.150 nan 0.000 0.521 1045 S N 2.109 117.777 115.700 -0.052 0.000 2.550 1045 S HA 0.131 4.602 4.470 0.001 0.000 0.285 1045 S C -1.357 173.332 174.600 0.148 0.000 1.326 1045 S CA -0.434 57.793 58.200 0.044 0.000 1.037 1045 S CB 0.426 63.701 63.200 0.125 0.000 0.838 1045 S HN 0.346 nan 8.310 nan 0.000 0.519 1046 P HA -0.167 nan 4.420 nan 0.000 0.225 1046 P C -0.225 177.018 177.300 -0.095 0.000 1.037 1046 P CA 1.112 64.095 63.100 -0.195 0.000 0.997 1046 P CB -0.034 31.475 31.700 -0.320 0.000 0.612 1047 F N -0.866 119.218 119.950 0.224 0.000 2.438 1047 F HA 0.436 4.963 4.527 0.001 0.000 0.360 1047 F C 1.161 177.088 175.800 0.211 0.000 1.118 1047 F CA -0.295 57.804 58.000 0.165 0.000 1.164 1047 F CB -1.108 37.935 39.000 0.071 0.000 1.131 1047 F HN 0.082 nan 8.300 nan 0.000 0.527 1048 T N -1.949 112.822 114.554 0.362 0.000 2.618 1048 T HA 0.362 4.713 4.350 0.001 0.000 0.286 1048 T C -0.379 174.459 174.700 0.230 0.000 1.027 1048 T CA -0.906 61.385 62.100 0.317 0.000 1.063 1048 T CB 1.694 70.762 68.868 0.333 0.000 1.440 1048 T HN 0.345 nan 8.240 nan 0.000 0.505 1049 D N 0.737 121.256 120.400 0.198 0.000 2.894 1049 D HA 0.392 5.033 4.640 0.001 0.000 0.248 1049 D C -0.164 176.214 176.300 0.130 0.000 1.291 1049 D CA 0.007 54.094 54.000 0.145 0.000 0.840 1049 D CB -0.160 40.714 40.800 0.123 0.000 1.044 1049 D HN 0.441 nan 8.370 nan 0.000 0.484 1050 I N 0.065 120.720 120.570 0.141 0.000 2.707 1050 I HA 0.337 4.508 4.170 0.001 0.000 0.309 1050 I C 0.667 176.814 176.117 0.051 0.000 1.001 1050 I CA -0.558 60.807 61.300 0.108 0.000 1.129 1050 I CB 2.059 40.149 38.000 0.151 0.000 1.308 1050 I HN -0.157 nan 8.210 nan 0.000 0.466 1051 T N 0.007 114.574 114.554 0.023 0.000 2.864 1051 T HA 0.380 4.731 4.350 0.001 0.000 0.299 1051 T C 0.498 175.177 174.700 -0.036 0.000 1.166 1051 T CA -0.742 61.352 62.100 -0.011 0.000 1.007 1051 T CB 1.812 70.692 68.868 0.020 0.000 1.219 1051 T HN 0.179 nan 8.240 nan 0.000 0.506 1052 V N 0.755 120.636 119.914 -0.054 0.000 2.453 1052 V HA -0.070 4.050 4.120 0.001 0.000 0.247 1052 V C 2.713 178.815 176.094 0.013 0.000 1.048 1052 V CA 1.435 63.713 62.300 -0.037 0.000 1.049 1052 V CB -0.726 31.070 31.823 -0.045 0.000 0.672 1052 V HN 0.865 nan 8.190 nan 0.000 0.457 1053 E N 0.833 121.042 120.200 0.015 0.000 2.110 1053 E HA -0.160 4.190 4.350 0.001 0.000 0.193 1053 E C 2.329 178.950 176.600 0.035 0.000 0.988 1053 E CA 1.508 57.924 56.400 0.027 0.000 0.804 1053 E CB -0.475 29.239 29.700 0.024 0.000 0.745 1053 E HN 0.625 nan 8.360 nan 0.000 0.458 1054 G N 0.997 109.818 108.800 0.035 0.000 2.408 1054 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 1054 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 1054 G C 1.722 176.656 174.900 0.056 0.000 1.150 1054 G CA 0.256 45.383 45.100 0.045 0.000 0.776 1054 G HN 0.154 nan 8.290 nan 0.000 0.542 1055 I N 0.664 121.268 120.570 0.057 0.000 2.233 1055 I HA -0.122 4.049 4.170 0.001 0.000 0.243 1055 I C 2.980 179.148 176.117 0.085 0.000 1.093 1055 I CA 0.751 62.096 61.300 0.076 0.000 1.380 1055 I CB -0.228 37.818 38.000 0.077 0.000 1.067 1055 I HN 0.102 nan 8.210 nan 0.000 0.413 1056 S N 0.926 116.673 115.700 0.077 0.000 2.372 1056 S HA -0.266 4.204 4.470 0.001 0.000 0.227 1056 S C 1.916 176.564 174.600 0.080 0.000 1.044 1056 S CA 1.633 59.885 58.200 0.086 0.000 1.050 1056 S CB -0.254 62.990 63.200 0.073 0.000 0.901 1056 S HN 0.372 nan 8.310 nan 0.000 0.447 1057 K N 0.617 121.056 120.400 0.064 0.000 2.063 1057 K HA -0.046 4.275 4.320 0.001 0.000 0.208 1057 K C 2.057 178.696 176.600 0.064 0.000 1.048 1057 K CA 1.098 57.417 56.287 0.053 0.000 0.928 1057 K CB -0.356 32.168 32.500 0.041 0.000 0.713 1057 K HN 0.315 nan 8.250 nan 0.000 0.442 1058 L N 0.465 121.738 121.223 0.084 0.000 2.027 1058 L HA -0.179 4.161 4.340 0.001 0.000 0.206 1058 L C 2.366 179.351 176.870 0.193 0.000 1.074 1058 L CA 0.585 55.494 54.840 0.114 0.000 0.745 1058 L CB -0.327 41.807 42.059 0.125 0.000 0.898 1058 L HN 0.160 nan 8.230 nan 0.000 0.433 1059 L N -0.198 121.136 121.223 0.184 0.000 2.275 1059 L HA -0.154 4.187 4.340 0.001 0.000 0.215 1059 L C 2.553 179.551 176.870 0.214 0.000 1.119 1059 L CA 1.346 56.322 54.840 0.227 0.000 0.790 1059 L CB -0.466 41.689 42.059 0.159 0.000 0.919 1059 L HN 0.077 nan 8.230 nan 0.000 0.443 1060 R N 0.425 121.005 120.500 0.132 0.000 2.062 1060 R HA -0.087 4.254 4.340 0.001 0.000 0.229 1060 R C 1.978 178.302 176.300 0.041 0.000 1.128 1060 R CA 1.548 57.698 56.100 0.083 0.000 0.960 1060 R CB -0.500 29.831 30.300 0.051 0.000 0.855 1060 R HN 0.469 nan 8.270 nan 0.000 0.432 1061 E N -0.615 119.585 120.200 -0.000 0.000 2.501 1061 E HA -0.177 4.173 4.350 0.001 0.000 0.203 1061 E C 0.741 177.207 176.600 -0.223 0.000 1.072 1061 E CA 0.591 56.923 56.400 -0.113 0.000 0.885 1061 E CB -0.045 29.557 29.700 -0.163 0.000 0.813 1061 E HN 0.497 nan 8.360 nan 0.000 0.556 1062 H N -1.847 117.228 119.070 0.009 0.000 2.705 1062 H HA 0.153 4.710 4.556 0.001 0.000 0.269 1062 H C 1.501 176.752 175.328 -0.129 0.000 0.998 1062 H CA 0.853 56.896 56.048 -0.009 0.000 1.193 1062 H CB 1.563 31.376 29.762 0.084 0.000 1.485 1062 H HN 0.337 nan 8.280 nan 0.000 0.521 1063 G N 0.470 109.250 108.800 -0.035 0.000 2.232 1063 G HA2 -0.256 3.704 3.960 0.001 0.000 0.226 1063 G HA3 -0.256 3.704 3.960 0.001 0.000 0.226 1063 G C -0.175 174.592 174.900 -0.221 0.000 0.996 1063 G CA -0.188 44.807 45.100 -0.176 0.000 0.626 1063 G HN 0.340 nan 8.290 nan 0.000 0.509 1064 Y N 1.157 121.491 120.300 0.057 0.000 2.320 1064 Y HA 0.563 5.113 4.550 0.001 0.000 0.324 1064 Y C 0.948 176.876 175.900 0.048 0.000 1.190 1064 Y CA -0.361 57.760 58.100 0.035 0.000 1.215 1064 Y CB 0.856 39.320 38.460 0.007 0.000 1.221 1064 Y HN 0.335 nan 8.280 nan 0.000 0.486 1065 Q N 1.265 121.199 119.800 0.223 0.000 2.437 1065 Q HA -0.153 4.187 4.340 0.001 0.000 0.363 1065 Q C 0.952 177.045 176.000 0.155 0.000 1.206 1065 Q CA 0.914 56.809 55.803 0.153 0.000 1.070 1065 Q CB 0.613 29.456 28.738 0.174 0.000 1.208 1065 Q HN 0.772 nan 8.270 nan 0.000 0.423 1066 S N 2.672 118.436 115.700 0.107 0.000 2.561 1066 S HA 0.067 4.537 4.470 0.001 0.000 0.225 1066 S C 0.623 175.307 174.600 0.139 0.000 0.977 1066 S CA 0.271 58.535 58.200 0.107 0.000 0.926 1066 S CB 0.192 63.432 63.200 0.066 0.000 0.769 1066 S HN 0.635 nan 8.310 nan 0.000 0.533 1067 R N 0.413 121.024 120.500 0.185 0.000 2.509 1067 R HA 0.415 4.755 4.340 0.001 0.000 0.300 1067 R C 1.585 178.235 176.300 0.584 0.000 0.985 1067 R CA 0.348 56.642 56.100 0.324 0.000 1.092 1067 R CB -0.327 30.096 30.300 0.205 0.000 1.237 1067 R HN 0.529 nan 8.270 nan 0.000 0.546 1068 G N 0.995 110.008 108.800 0.355 0.000 2.729 1068 G HA2 -0.321 3.639 3.960 0.001 0.000 0.216 1068 G HA3 -0.321 3.639 3.960 0.001 0.000 0.216 1068 G C 0.261 175.274 174.900 0.187 0.000 1.252 1068 G CA -0.118 45.062 45.100 0.134 0.000 0.751 1068 G HN 0.185 nan 8.290 nan 0.000 0.527 1069 F N 2.353 122.371 119.950 0.114 0.000 2.514 1069 F HA 0.351 4.878 4.527 0.001 0.000 0.307 1069 F C 1.196 177.040 175.800 0.074 0.000 0.990 1069 F CA 1.292 59.362 58.000 0.117 0.000 1.229 1069 F CB 0.159 39.237 39.000 0.129 0.000 0.932 1069 F HN 0.422 nan 8.300 nan 0.000 0.639 1070 E N -0.250 120.108 120.200 0.263 0.000 2.354 1070 E HA 0.372 4.723 4.350 0.001 0.000 0.283 1070 E C -1.503 175.188 176.600 0.153 0.000 0.938 1070 E CA -0.880 55.628 56.400 0.180 0.000 0.777 1070 E CB 2.414 32.171 29.700 0.095 0.000 1.222 1070 E HN 0.221 nan 8.360 nan 0.000 0.423 1071 V N 2.977 122.960 119.914 0.115 0.000 2.740 1071 V HA 0.235 4.355 4.120 0.001 0.000 0.303 1071 V C 0.331 176.430 176.094 0.007 0.000 1.054 1071 V CA 0.486 62.801 62.300 0.025 0.000 1.106 1071 V CB 0.369 32.187 31.823 -0.009 0.000 0.957 1071 V HN 0.657 nan 8.190 nan 0.000 0.486 1072 M N 3.072 122.587 119.600 -0.141 0.000 2.631 1072 M HA 0.563 5.044 4.480 0.001 0.000 0.288 1072 M C -1.815 174.201 176.300 -0.474 0.000 1.260 1072 M CA -0.587 54.628 55.300 -0.142 0.000 0.842 1072 M CB 2.906 35.473 32.600 -0.056 0.000 1.743 1072 M HN 0.548 nan 8.290 nan 0.000 0.461 1073 Y N 0.266 120.266 120.300 -0.499 0.000 2.393 1073 Y HA 0.332 4.882 4.550 0.001 0.000 0.341 1073 Y C 0.196 175.645 175.900 -0.750 0.000 0.988 1073 Y CA -1.203 56.502 58.100 -0.658 0.000 1.078 1073 Y CB 0.964 38.930 38.460 -0.823 0.000 1.203 1073 Y HN 0.513 nan 8.280 nan 0.000 0.453 1074 N N 1.766 120.332 118.700 -0.224 0.000 2.416 1074 N HA -0.018 4.722 4.740 0.001 0.000 0.265 1074 N C 1.145 176.644 175.510 -0.019 0.000 1.195 1074 N CA 0.699 53.694 53.050 -0.092 0.000 0.943 1074 N CB 1.329 39.785 38.487 -0.052 0.000 1.115 1074 N HN 1.045 nan 8.380 nan 0.000 0.481 1075 G N 3.395 112.229 108.800 0.057 0.000 2.550 1075 G HA2 -0.304 3.656 3.960 0.001 0.000 0.222 1075 G HA3 -0.304 3.656 3.960 0.001 0.000 0.222 1075 G C 1.056 176.163 174.900 0.346 0.000 1.113 1075 G CA 0.992 46.253 45.100 0.269 0.000 0.748 1075 G HN 0.714 nan 8.290 nan 0.000 0.585 1076 H N 0.516 119.636 119.070 0.084 0.000 2.299 1076 H HA -0.035 4.522 4.556 0.001 0.000 0.302 1076 H C 2.986 178.355 175.328 0.069 0.000 1.078 1076 H CA 2.003 58.081 56.048 0.051 0.000 1.323 1076 H CB -0.868 28.891 29.762 -0.006 0.000 1.381 1076 H HN 0.520 nan 8.280 nan 0.000 0.498 1077 T N -4.394 110.281 114.554 0.202 0.000 3.004 1077 T HA 0.309 4.660 4.350 0.001 0.000 0.243 1077 T C 1.897 176.697 174.700 0.167 0.000 1.020 1077 T CA 0.889 63.077 62.100 0.147 0.000 1.145 1077 T CB 0.006 68.938 68.868 0.105 0.000 0.876 1077 T HN 0.526 nan 8.240 nan 0.000 0.449 1078 G N 1.458 110.371 108.800 0.189 0.000 2.184 1078 G HA2 -0.203 3.758 3.960 0.001 0.000 0.206 1078 G HA3 -0.203 3.758 3.960 0.001 0.000 0.206 1078 G C 0.018 175.094 174.900 0.293 0.000 0.995 1078 G CA 0.134 45.401 45.100 0.279 0.000 0.651 1078 G HN 0.819 nan 8.290 nan 0.000 0.511 1079 K N 1.113 121.625 120.400 0.187 0.000 2.230 1079 K HA 0.442 4.762 4.320 0.001 0.000 0.253 1079 K C 0.750 177.408 176.600 0.096 0.000 1.008 1079 K CA -0.256 56.130 56.287 0.165 0.000 0.910 1079 K CB 0.301 32.846 32.500 0.075 0.000 0.994 1079 K HN 0.222 nan 8.250 nan 0.000 0.495 1080 K N 1.744 122.118 120.400 -0.043 0.000 2.180 1080 K HA 0.185 4.505 4.320 0.001 0.000 0.251 1080 K C -0.331 176.122 176.600 -0.244 0.000 1.014 1080 K CA -0.353 55.685 56.287 -0.416 0.000 0.913 1080 K CB 0.473 32.728 32.500 -0.408 0.000 1.008 1080 K HN 0.413 nan 8.250 nan 0.000 0.490 1081 L N 3.313 124.368 121.223 -0.280 0.000 2.264 1081 L HA 0.116 4.456 4.340 0.001 0.000 0.289 1081 L C 1.358 178.163 176.870 -0.108 0.000 1.044 1081 L CA -0.541 54.211 54.840 -0.146 0.000 0.807 1081 L CB 1.150 43.136 42.059 -0.122 0.000 1.192 1081 L HN 0.761 nan 8.230 nan 0.000 0.425 1082 M N 3.666 123.227 119.600 -0.065 0.000 2.113 1082 M HA -0.188 4.293 4.480 0.001 0.000 0.255 1082 M C 0.921 177.207 176.300 -0.023 0.000 1.073 1082 M CA 1.870 57.146 55.300 -0.040 0.000 1.091 1082 M CB -0.171 32.417 32.600 -0.021 0.000 1.309 1082 M HN 0.681 nan 8.290 nan 0.000 0.407 1083 A N -0.767 122.047 122.820 -0.010 0.000 2.248 1083 A HA 0.608 4.928 4.320 0.001 0.000 0.316 1083 A C -0.473 177.132 177.584 0.034 0.000 1.101 1083 A CA -0.693 51.359 52.037 0.026 0.000 0.875 1083 A CB 0.465 19.486 19.000 0.035 0.000 1.207 1083 A HN 0.479 nan 8.150 nan 0.000 0.504 1084 Q N -0.667 119.201 119.800 0.114 0.000 2.301 1084 Q HA 0.681 5.021 4.340 0.001 0.000 0.267 1084 Q C -1.252 174.831 176.000 0.137 0.000 1.035 1084 Q CA -0.274 55.619 55.803 0.150 0.000 0.856 1084 Q CB 1.605 30.500 28.738 0.261 0.000 1.337 1084 Q HN 0.555 nan 8.270 nan 0.000 0.450 1085 I N 0.647 121.252 120.570 0.058 0.000 2.607 1085 I HA 0.303 4.473 4.170 0.001 0.000 0.305 1085 I C -0.611 175.427 176.117 -0.131 0.000 0.995 1085 I CA -0.702 60.562 61.300 -0.059 0.000 1.148 1085 I CB 0.760 38.716 38.000 -0.073 0.000 1.323 1085 I HN 0.530 nan 8.210 nan 0.000 0.461 1086 F N 5.777 125.466 119.950 -0.435 0.000 2.566 1086 F HA 0.353 4.881 4.527 0.001 0.000 0.349 1086 F C -0.574 175.161 175.800 -0.109 0.000 1.245 1086 F CA -0.369 57.372 58.000 -0.432 0.000 1.169 1086 F CB -0.307 38.392 39.000 -0.501 0.000 1.470 1086 F HN 0.214 nan 8.300 nan 0.000 0.634 1087 F N 4.067 123.755 119.950 -0.437 0.000 2.399 1087 F HA 0.703 5.231 4.527 0.001 0.000 0.334 1087 F C 0.393 175.913 175.800 -0.466 0.000 1.097 1087 F CA -0.130 57.661 58.000 -0.348 0.000 1.076 1087 F CB 1.132 40.005 39.000 -0.213 0.000 1.162 1087 F HN 0.563 nan 8.300 nan 0.000 0.495 1088 G N 5.176 114.148 108.800 0.286 0.000 2.368 1088 G HA2 0.176 4.136 3.960 0.001 0.000 0.303 1088 G HA3 0.176 4.136 3.960 0.001 0.000 0.303 1088 G C -3.395 171.522 174.900 0.029 0.000 1.590 1088 G CA -1.130 43.967 45.100 -0.006 0.000 0.938 1088 G HN 0.385 nan 8.290 nan 0.000 0.675 1089 P HA 0.449 nan 4.420 nan 0.000 0.271 1089 P C -0.359 176.956 177.300 0.025 0.000 1.238 1089 P CA 0.392 63.513 63.100 0.034 0.000 0.794 1089 P CB 1.056 32.758 31.700 0.004 0.000 0.959 1090 T N 0.031 114.623 114.554 0.063 0.000 3.289 1090 T HA 0.114 4.465 4.350 0.001 0.000 0.370 1090 T C -1.443 173.316 174.700 0.098 0.000 1.546 1090 T CA -0.314 61.794 62.100 0.013 0.000 1.144 1090 T CB 0.269 69.089 68.868 -0.080 0.000 1.379 1090 T HN 0.210 nan 8.240 nan 0.000 0.478 1091 Y N 2.912 123.153 120.300 -0.098 0.000 2.496 1091 Y HA 0.488 5.038 4.550 0.001 0.000 0.334 1091 Y C -0.974 174.868 175.900 -0.096 0.000 1.080 1091 Y CA -0.630 57.448 58.100 -0.037 0.000 1.355 1091 Y CB 0.143 38.589 38.460 -0.024 0.000 1.193 1091 Y HN 0.614 nan 8.280 nan 0.000 0.523 1092 Y N 4.446 124.690 120.300 -0.092 0.000 2.376 1092 Y HA 0.350 4.901 4.550 0.001 0.000 0.340 1092 Y C -0.180 175.673 175.900 -0.078 0.000 0.965 1092 Y CA -0.882 57.202 58.100 -0.026 0.000 1.078 1092 Y CB 1.521 40.034 38.460 0.089 0.000 1.193 1092 Y HN 0.502 nan 8.280 nan 0.000 0.452 1093 Q N 2.904 122.784 119.800 0.133 0.000 2.227 1093 Q HA 0.426 4.766 4.340 0.001 0.000 0.245 1093 Q C -0.644 175.502 176.000 0.243 0.000 0.926 1093 Q CA -1.037 54.839 55.803 0.123 0.000 0.895 1093 Q CB 1.835 30.616 28.738 0.072 0.000 1.230 1093 Q HN 0.495 nan 8.270 nan 0.000 0.450 1094 R N 2.329 123.003 120.500 0.290 0.000 2.287 1094 R HA 0.250 4.590 4.340 0.001 0.000 0.316 1094 R C -1.332 175.071 176.300 0.171 0.000 1.050 1094 R CA -0.546 55.742 56.100 0.314 0.000 0.983 1094 R CB 0.033 30.562 30.300 0.381 0.000 1.140 1094 R HN 0.381 nan 8.270 nan 0.000 0.528 1095 L N 3.025 124.295 121.223 0.079 0.000 2.375 1095 L HA 0.485 4.826 4.340 0.001 0.000 0.271 1095 L C 0.829 177.639 176.870 -0.100 0.000 1.107 1095 L CA -0.678 54.154 54.840 -0.014 0.000 0.806 1095 L CB 0.222 42.266 42.059 -0.025 0.000 1.146 1095 L HN 0.542 nan 8.230 nan 0.000 0.447 1096 R N 0.334 120.709 120.500 -0.208 0.000 2.893 1096 R HA 0.185 4.525 4.340 0.001 0.000 0.279 1096 R C -0.800 175.301 176.300 -0.332 0.000 1.076 1096 R CA -0.276 55.664 56.100 -0.267 0.000 1.203 1096 R CB -0.005 30.073 30.300 -0.369 0.000 1.137 1096 R HN 0.782 nan 8.270 nan 0.000 0.541 1097 H N -0.795 118.168 119.070 -0.178 0.000 3.573 1097 H HA -0.052 4.505 4.556 0.001 0.000 0.349 1097 H C -1.093 174.112 175.328 -0.204 0.000 1.382 1097 H CA 0.185 56.126 56.048 -0.179 0.000 1.489 1097 H CB -1.456 28.200 29.762 -0.177 0.000 1.347 1097 H HN 0.612 nan 8.280 nan 0.000 0.473 1098 M N 0.394 119.930 119.600 -0.106 0.000 2.367 1098 M HA 0.276 4.756 4.480 0.001 0.000 0.339 1098 M C 1.797 178.030 176.300 -0.111 0.000 1.177 1098 M CA -0.441 54.767 55.300 -0.153 0.000 1.068 1098 M CB 1.849 34.339 32.600 -0.182 0.000 1.602 1098 M HN 0.145 nan 8.290 nan 0.000 0.457 1099 V N 1.506 121.350 119.914 -0.117 0.000 2.219 1099 V HA -0.286 3.835 4.120 0.001 0.000 0.248 1099 V C 1.235 177.292 176.094 -0.061 0.000 1.053 1099 V CA 2.351 64.601 62.300 -0.084 0.000 1.009 1099 V CB -0.238 31.535 31.823 -0.083 0.000 0.636 1099 V HN 0.909 nan 8.190 nan 0.000 0.445 1100 D N 0.021 120.384 120.400 -0.061 0.000 2.421 1100 D HA -0.138 4.502 4.640 0.001 0.000 0.223 1100 D C 1.368 177.649 176.300 -0.032 0.000 0.979 1100 D CA 0.998 54.975 54.000 -0.040 0.000 0.959 1100 D CB -0.258 40.519 40.800 -0.038 0.000 0.874 1100 D HN 0.566 nan 8.370 nan 0.000 0.513 1101 D N -1.051 119.321 120.400 -0.047 0.000 2.369 1101 D HA 0.078 4.719 4.640 0.001 0.000 0.211 1101 D C 1.451 177.737 176.300 -0.024 0.000 1.077 1101 D CA 0.209 54.184 54.000 -0.041 0.000 0.842 1101 D CB 0.613 41.367 40.800 -0.077 0.000 0.947 1101 D HN 0.263 nan 8.370 nan 0.000 0.509 1102 K N -0.256 120.134 120.400 -0.017 0.000 2.443 1102 K HA 0.133 4.453 4.320 0.001 0.000 0.200 1102 K C 0.439 177.058 176.600 0.032 0.000 1.278 1102 K CA -0.541 55.743 56.287 -0.004 0.000 0.925 1102 K CB 1.080 33.569 32.500 -0.019 0.000 1.225 1102 K HN -0.139 nan 8.250 nan 0.000 0.514 1103 I N 3.133 123.716 120.570 0.023 0.000 3.163 1103 I HA -0.216 3.955 4.170 0.001 0.000 0.332 1103 I C -0.261 175.929 176.117 0.122 0.000 1.205 1103 I CA 1.372 62.697 61.300 0.041 0.000 1.473 1103 I CB -0.480 37.529 38.000 0.014 0.000 1.300 1103 I HN 0.235 nan 8.210 nan 0.000 0.532 1104 H N 5.026 124.084 119.070 -0.019 0.000 3.137 1104 H HA 0.736 5.293 4.556 0.001 0.000 0.336 1104 H C -1.447 173.875 175.328 -0.011 0.000 1.055 1104 H CA -0.380 55.659 56.048 -0.014 0.000 1.349 1104 H CB 1.006 30.761 29.762 -0.013 0.000 1.939 1104 H HN 0.678 nan 8.280 nan 0.000 0.487 1105 A N 4.473 126.906 122.820 -0.646 0.000 2.454 1105 A HA 0.870 5.191 4.320 0.001 0.000 0.302 1105 A C -1.024 176.244 177.584 -0.526 0.000 1.079 1105 A CA -0.717 51.006 52.037 -0.523 0.000 0.731 1105 A CB 1.746 20.620 19.000 -0.211 0.000 1.299 1105 A HN 0.839 nan 8.150 nan 0.000 0.413 1106 R N 0.274 120.581 120.500 -0.321 0.000 2.604 1106 R HA 0.710 5.051 4.340 0.001 0.000 0.270 1106 R C -1.661 174.589 176.300 -0.083 0.000 1.052 1106 R CA 0.176 56.187 56.100 -0.149 0.000 0.902 1106 R CB 1.864 32.119 30.300 -0.074 0.000 1.233 1106 R HN 1.623 nan 8.270 nan 0.000 0.455 1107 A N 5.009 127.800 122.820 -0.049 0.000 2.679 1107 A HA 0.556 4.877 4.320 0.001 0.000 0.288 1107 A C -0.772 176.797 177.584 -0.025 0.000 1.160 1107 A CA -0.257 51.759 52.037 -0.036 0.000 0.763 1107 A CB 0.574 19.552 19.000 -0.036 0.000 1.270 1107 A HN 1.116 nan 8.150 nan 0.000 0.417 1108 R N 0.899 121.387 120.500 -0.020 0.000 3.472 1108 R HA 0.054 4.394 4.340 0.001 0.000 0.618 1108 R C 0.246 176.539 176.300 -0.012 0.000 0.316 1108 R CA 1.301 57.391 56.100 -0.017 0.000 1.901 1108 R CB -1.208 29.081 30.300 -0.018 0.000 0.965 1108 R HN 2.616 nan 8.270 nan 0.000 0.608 1109 G N -0.172 108.621 108.800 -0.012 0.000 2.384 1109 G HA2 0.143 4.103 3.960 0.001 0.000 0.150 1109 G HA3 0.143 4.103 3.960 0.001 0.000 0.150 1109 G C -2.797 172.097 174.900 -0.011 0.000 1.269 1109 G CA -0.472 44.622 45.100 -0.009 0.000 1.094 1109 G HN 0.789 nan 8.290 nan 0.000 0.467 1110 P HA 0.270 nan 4.420 nan 0.000 0.260 1110 P C -0.675 176.612 177.300 -0.021 0.000 1.172 1110 P CA 0.641 63.735 63.100 -0.010 0.000 0.760 1110 P CB 0.328 32.027 31.700 -0.001 0.000 0.773 1111 M N 2.069 121.646 119.600 -0.037 0.000 2.383 1111 M HA 0.296 4.776 4.480 0.001 0.000 0.325 1111 M C 0.569 176.826 176.300 -0.073 0.000 1.092 1111 M CA -1.055 54.209 55.300 -0.061 0.000 0.961 1111 M CB 1.762 34.313 32.600 -0.081 0.000 1.672 1111 M HN 0.406 nan 8.290 nan 0.000 0.438 1112 Q N 0.767 120.517 119.800 -0.083 0.000 2.700 1112 Q HA 0.156 4.496 4.340 0.001 0.000 0.232 1112 Q C 0.269 176.198 176.000 -0.119 0.000 1.110 1112 Q CA 0.317 56.069 55.803 -0.085 0.000 1.026 1112 Q CB 0.869 29.556 28.738 -0.083 0.000 1.311 1112 Q HN 0.585 nan 8.270 nan 0.000 0.583 1113 V N 0.954 120.806 119.914 -0.103 0.000 3.151 1113 V HA -0.044 4.077 4.120 0.001 0.000 0.241 1113 V C 1.423 177.436 176.094 -0.135 0.000 1.173 1113 V CA 0.623 62.853 62.300 -0.117 0.000 1.154 1113 V CB -0.142 31.640 31.823 -0.068 0.000 0.898 1113 V HN 0.770 nan 8.190 nan 0.000 0.473 1114 L N 0.326 121.495 121.223 -0.090 0.000 2.044 1114 L HA -0.037 4.304 4.340 0.001 0.000 0.205 1114 L C 2.135 178.954 176.870 -0.086 0.000 1.075 1114 L CA 2.536 57.342 54.840 -0.056 0.000 0.747 1114 L CB -0.850 41.198 42.059 -0.018 0.000 0.903 1114 L HN 0.281 nan 8.230 nan 0.000 0.435 1115 T N -0.973 113.508 114.554 -0.122 0.000 3.010 1115 T HA 0.103 4.453 4.350 0.001 0.000 0.252 1115 T C 0.685 175.185 174.700 -0.334 0.000 1.047 1115 T CA 0.402 62.423 62.100 -0.132 0.000 1.140 1115 T CB 0.085 68.913 68.868 -0.066 0.000 0.885 1115 T HN 0.345 nan 8.240 nan 0.000 0.464 1116 R N 0.587 120.872 120.500 -0.358 0.000 3.854 1116 R HA -0.109 4.231 4.340 0.001 0.000 0.352 1116 R C -0.269 175.897 176.300 -0.224 0.000 1.156 1116 R CA 0.350 56.203 56.100 -0.412 0.000 0.917 1116 R CB -1.836 27.963 30.300 -0.836 0.000 1.471 1116 R HN 0.489 nan 8.270 nan 0.000 0.521 1117 Q N -0.019 119.698 119.800 -0.139 0.000 2.194 1117 Q HA 0.445 4.786 4.340 0.001 0.000 0.245 1117 Q C -2.381 173.582 176.000 -0.061 0.000 0.993 1117 Q CA -2.090 53.668 55.803 -0.076 0.000 0.930 1117 Q CB 1.253 29.965 28.738 -0.045 0.000 1.238 1117 Q HN -0.140 nan 8.270 nan 0.000 0.486 1118 P HA -0.079 nan 4.420 nan 0.000 0.268 1118 P C -0.900 176.390 177.300 -0.018 0.000 1.208 1118 P CA -0.008 63.079 63.100 -0.021 0.000 0.777 1118 P CB 0.416 32.115 31.700 -0.002 0.000 0.875 1119 V N -0.426 119.480 119.914 -0.013 0.000 3.083 1119 V HA 0.398 4.519 4.120 0.001 0.000 0.306 1119 V C 0.085 176.178 176.094 -0.002 0.000 1.077 1119 V CA -0.480 61.812 62.300 -0.013 0.000 1.073 1119 V CB 1.007 32.821 31.823 -0.014 0.000 1.081 1119 V HN 0.566 nan 8.190 nan 0.000 0.474 1120 E N 1.463 121.657 120.200 -0.010 0.000 2.202 1120 E HA 0.605 4.955 4.350 0.001 0.000 0.272 1120 E C -0.117 176.466 176.600 -0.029 0.000 0.951 1120 E CA -0.122 56.271 56.400 -0.011 0.000 0.813 1120 E CB 1.506 31.198 29.700 -0.012 0.000 1.151 1120 E HN 1.991 nan 8.360 nan 0.000 0.398 1121 G N 3.682 112.454 108.800 -0.046 0.000 3.380 1121 G HA2 -0.201 3.760 3.960 0.001 0.000 0.685 1121 G HA3 -0.201 3.760 3.960 0.001 0.000 0.685 1121 G C 0.335 175.126 174.900 -0.181 0.000 1.136 1121 G CA 0.000 45.047 45.100 -0.089 0.000 1.011 1121 G HN 0.819 nan 8.290 nan 0.000 0.471 1122 R N 0.889 121.196 120.500 -0.320 0.000 2.244 1122 R HA -0.205 4.136 4.340 0.001 0.000 0.252 1122 R C 2.388 178.471 176.300 -0.363 0.000 1.177 1122 R CA 2.933 58.617 56.100 -0.694 0.000 1.004 1122 R CB -0.409 29.528 30.300 -0.604 0.000 0.873 1122 R HN 0.735 nan 8.270 nan 0.000 0.469 1123 S N 0.750 116.337 115.700 -0.188 0.000 2.368 1123 S HA -0.115 4.355 4.470 0.001 0.000 0.225 1123 S C 1.536 176.097 174.600 -0.064 0.000 1.030 1123 S CA 1.359 59.503 58.200 -0.094 0.000 0.999 1123 S CB -0.181 62.983 63.200 -0.060 0.000 0.844 1123 S HN 0.450 nan 8.310 nan 0.000 0.459 1124 R N 0.994 121.455 120.500 -0.066 0.000 2.702 1124 R HA 0.179 4.519 4.340 0.001 0.000 0.314 1124 R C -0.295 175.996 176.300 -0.015 0.000 1.152 1124 R CA 0.149 56.231 56.100 -0.030 0.000 1.097 1124 R CB -0.076 30.211 30.300 -0.021 0.000 1.343 1124 R HN 0.182 nan 8.270 nan 0.000 0.575 1125 D N -0.291 120.098 120.400 -0.019 0.000 3.039 1125 D HA -0.142 4.498 4.640 0.001 0.000 0.222 1125 D C 0.383 176.749 176.300 0.110 0.000 1.179 1125 D CA 1.271 55.318 54.000 0.079 0.000 0.880 1125 D CB -0.767 40.069 40.800 0.060 0.000 1.115 1125 D HN 0.485 nan 8.370 nan 0.000 0.416 1126 G N -0.904 107.920 108.800 0.040 0.000 2.712 1126 G HA2 0.479 4.439 3.960 0.001 0.000 0.258 1126 G HA3 0.479 4.439 3.960 0.001 0.000 0.258 1126 G C 0.664 175.671 174.900 0.178 0.000 1.241 1126 G CA 0.127 45.266 45.100 0.065 0.000 0.923 1126 G HN 0.411 nan 8.290 nan 0.000 0.548 1127 G N -1.810 107.058 108.800 0.113 0.000 2.552 1127 G HA2 0.557 4.517 3.960 0.001 0.000 0.324 1127 G HA3 0.557 4.517 3.960 0.001 0.000 0.324 1127 G C -0.027 174.938 174.900 0.109 0.000 1.217 1127 G CA -0.915 44.255 45.100 0.116 0.000 0.989 1127 G HN 0.552 nan 8.290 nan 0.000 0.490 1128 L N -0.872 120.407 121.223 0.094 0.000 2.682 1128 L HA 0.596 4.937 4.340 0.001 0.000 0.209 1128 L C 0.782 177.695 176.870 0.072 0.000 1.195 1128 L CA -0.744 54.147 54.840 0.084 0.000 0.869 1128 L CB 0.543 42.649 42.059 0.078 0.000 1.599 1128 L HN 0.509 nan 8.230 nan 0.000 0.518 1129 R N -0.323 120.216 120.500 0.066 0.000 2.502 1129 R HA 0.255 4.595 4.340 0.001 0.000 0.300 1129 R C -1.409 174.937 176.300 0.077 0.000 0.984 1129 R CA -0.493 55.648 56.100 0.067 0.000 0.882 1129 R CB 0.860 31.177 30.300 0.027 0.000 1.180 1129 R HN 0.357 nan 8.270 nan 0.000 0.444 1130 F N 4.844 124.782 119.950 -0.020 0.000 2.626 1130 F HA 0.387 4.915 4.527 0.001 0.000 0.353 1130 F C 0.740 176.524 175.800 -0.027 0.000 1.230 1130 F CA -0.015 57.970 58.000 -0.026 0.000 1.298 1130 F CB 0.213 39.180 39.000 -0.055 0.000 1.670 1130 F HN 0.744 nan 8.300 nan 0.000 0.633 1131 G N 2.072 110.783 108.800 -0.147 0.000 2.647 1131 G HA2 -0.033 3.928 3.960 0.001 0.000 0.271 1131 G HA3 -0.033 3.928 3.960 0.001 0.000 0.271 1131 G C 0.896 175.709 174.900 -0.145 0.000 1.300 1131 G CA -0.279 44.757 45.100 -0.106 0.000 0.997 1131 G HN 0.573 nan 8.290 nan 0.000 0.533 1132 E N -0.696 119.454 120.200 -0.083 0.000 2.048 1132 E HA -0.226 4.124 4.350 0.001 0.000 0.202 1132 E C 2.702 179.241 176.600 -0.102 0.000 1.021 1132 E CA 1.702 58.062 56.400 -0.067 0.000 0.825 1132 E CB -0.189 29.485 29.700 -0.043 0.000 0.756 1132 E HN 0.498 nan 8.360 nan 0.000 0.454 1133 M N 0.462 119.991 119.600 -0.118 0.000 2.108 1133 M HA -0.202 4.279 4.480 0.001 0.000 0.261 1133 M C 2.060 178.254 176.300 -0.176 0.000 1.066 1133 M CA 1.450 56.679 55.300 -0.118 0.000 1.107 1133 M CB -0.553 31.984 32.600 -0.105 0.000 1.356 1133 M HN -0.040 nan 8.290 nan 0.000 0.406 1134 E N 0.104 120.105 120.200 -0.332 0.000 2.209 1134 E HA -0.152 4.198 4.350 0.001 0.000 0.196 1134 E C 1.909 178.217 176.600 -0.486 0.000 0.993 1134 E CA 0.975 57.016 56.400 -0.598 0.000 0.819 1134 E CB -0.439 28.520 29.700 -1.234 0.000 0.745 1134 E HN 0.403 nan 8.360 nan 0.000 0.477 1135 R N 0.765 121.119 120.500 -0.244 0.000 2.056 1135 R HA -0.127 4.214 4.340 0.001 0.000 0.227 1135 R C 1.179 177.520 176.300 0.068 0.000 1.149 1135 R CA 1.606 57.756 56.100 0.082 0.000 0.937 1135 R CB -0.217 30.134 30.300 0.084 0.000 0.835 1135 R HN 0.063 nan 8.270 nan 0.000 0.430 1136 D N 0.415 120.818 120.400 0.006 0.000 2.220 1136 D HA -0.219 4.421 4.640 0.001 0.000 0.198 1136 D C 1.904 178.215 176.300 0.018 0.000 1.001 1136 D CA 1.350 55.353 54.000 0.005 0.000 0.875 1136 D CB -0.522 40.264 40.800 -0.023 0.000 0.921 1136 D HN 0.318 nan 8.370 nan 0.000 0.454 1137 C N 0.037 119.353 119.300 0.026 0.000 2.476 1137 C HA -0.025 4.435 4.460 0.001 0.000 0.278 1137 C C 2.593 177.691 174.990 0.179 0.000 1.274 1137 C CA 0.194 59.249 59.018 0.060 0.000 1.713 1137 C CB -0.557 27.233 27.740 0.083 0.000 2.039 1137 C HN 0.318 nan 8.230 nan 0.000 0.484 1138 M N 0.710 120.475 119.600 0.274 0.000 2.159 1138 M HA -0.036 4.444 4.480 0.001 0.000 0.263 1138 M C 1.907 178.352 176.300 0.241 0.000 1.063 1138 M CA 1.366 56.884 55.300 0.363 0.000 1.110 1138 M CB -1.298 31.545 32.600 0.405 0.000 1.374 1138 M HN 0.357 nan 8.290 nan 0.000 0.411 1139 I N -0.178 120.482 120.570 0.149 0.000 2.226 1139 I HA -0.267 3.904 4.170 0.001 0.000 0.245 1139 I C 2.477 178.631 176.117 0.063 0.000 1.100 1139 I CA 1.154 62.510 61.300 0.093 0.000 1.374 1139 I CB -0.596 37.439 38.000 0.058 0.000 1.057 1139 I HN 0.219 nan 8.210 nan 0.000 0.413 1140 A N 0.087 122.921 122.820 0.024 0.000 1.877 1140 A HA -0.248 4.073 4.320 0.001 0.000 0.216 1140 A C 2.199 179.753 177.584 -0.051 0.000 1.186 1140 A CA 1.522 53.530 52.037 -0.048 0.000 0.620 1140 A CB -0.936 17.989 19.000 -0.125 0.000 0.822 1140 A HN 0.401 nan 8.150 nan 0.000 0.443 1141 H N -1.042 118.059 119.070 0.052 0.000 2.457 1141 H HA -0.037 4.519 4.556 0.001 0.000 0.297 1141 H C 1.938 177.295 175.328 0.048 0.000 1.092 1141 H CA 1.319 57.398 56.048 0.051 0.000 1.309 1141 H CB -0.264 29.543 29.762 0.074 0.000 1.382 1141 H HN 0.686 nan 8.280 nan 0.000 0.535 1142 G N -0.390 108.510 108.800 0.167 0.000 2.176 1142 G HA2 -0.296 3.664 3.960 0.001 0.000 0.253 1142 G HA3 -0.296 3.664 3.960 0.001 0.000 0.253 1142 G C 0.867 175.844 174.900 0.127 0.000 0.979 1142 G CA 0.458 45.626 45.100 0.114 0.000 0.641 1142 G HN 0.690 nan 8.290 nan 0.000 0.530 1143 A N 0.501 123.431 122.820 0.183 0.000 3.110 1143 A HA 0.683 5.004 4.320 0.001 0.000 0.265 1143 A C 2.028 179.719 177.584 0.179 0.000 1.962 1143 A CA 1.260 53.407 52.037 0.184 0.000 1.493 1143 A CB -0.842 18.310 19.000 0.254 0.000 0.941 1143 A HN 1.879 nan 8.150 nan 0.000 0.610 1144 A N 0.952 123.841 122.820 0.115 0.000 1.842 1144 A HA -0.161 4.160 4.320 0.001 0.000 0.217 1144 A C 2.538 180.161 177.584 0.065 0.000 1.206 1144 A CA 2.357 54.442 52.037 0.079 0.000 0.630 1144 A CB -1.089 17.945 19.000 0.057 0.000 0.839 1144 A HN 0.622 nan 8.150 nan 0.000 0.447 1145 S N -1.095 114.646 115.700 0.069 0.000 2.370 1145 S HA -0.165 4.305 4.470 0.001 0.000 0.226 1145 S C 1.675 176.313 174.600 0.062 0.000 1.033 1145 S CA 1.545 59.776 58.200 0.051 0.000 1.011 1145 S CB -0.595 62.637 63.200 0.053 0.000 0.852 1145 S HN 0.589 nan 8.310 nan 0.000 0.457 1146 F N 2.311 122.236 119.950 -0.041 0.000 2.120 1146 F HA -0.140 4.387 4.527 0.001 0.000 0.300 1146 F C 1.900 177.629 175.800 -0.119 0.000 1.095 1146 F CA 1.079 59.035 58.000 -0.074 0.000 1.249 1146 F CB -0.662 38.303 39.000 -0.059 0.000 0.995 1146 F HN 0.156 nan 8.300 nan 0.000 0.480 1147 L N 0.502 121.548 121.223 -0.295 0.000 1.989 1147 L HA -0.268 4.072 4.340 0.001 0.000 0.211 1147 L C 2.736 179.395 176.870 -0.352 0.000 1.071 1147 L CA 2.193 56.798 54.840 -0.391 0.000 0.749 1147 L CB -0.717 41.293 42.059 -0.082 0.000 0.890 1147 L HN 0.207 nan 8.230 nan 0.000 0.431 1148 K N -0.137 120.154 120.400 -0.181 0.000 2.063 1148 K HA -0.301 4.019 4.320 0.001 0.000 0.208 1148 K C 2.003 178.493 176.600 -0.183 0.000 1.048 1148 K CA 2.053 58.257 56.287 -0.137 0.000 0.928 1148 K CB -0.251 32.210 32.500 -0.066 0.000 0.713 1148 K HN 0.426 nan 8.250 nan 0.000 0.442 1149 E N 0.060 120.140 120.200 -0.201 0.000 2.160 1149 E HA -0.202 4.148 4.350 0.001 0.000 0.195 1149 E C 2.083 178.513 176.600 -0.283 0.000 0.991 1149 E CA 0.880 57.171 56.400 -0.182 0.000 0.810 1149 E CB 0.200 29.844 29.700 -0.093 0.000 0.742 1149 E HN 0.239 nan 8.360 nan 0.000 0.466 1150 R N -0.058 120.130 120.500 -0.519 0.000 2.057 1150 R HA -0.093 4.247 4.340 0.001 0.000 0.229 1150 R C 2.402 178.475 176.300 -0.378 0.000 1.136 1150 R CA 0.653 56.381 56.100 -0.620 0.000 0.952 1150 R CB -0.679 28.872 30.300 -1.247 0.000 0.848 1150 R HN 0.191 nan 8.270 nan 0.000 0.430 1151 L N 0.037 121.072 121.223 -0.313 0.000 2.093 1151 L HA -0.091 4.250 4.340 0.001 0.000 0.208 1151 L C 2.192 179.005 176.870 -0.095 0.000 1.085 1151 L CA 1.571 56.318 54.840 -0.155 0.000 0.755 1151 L CB -0.427 41.569 42.059 -0.106 0.000 0.904 1151 L HN 0.103 nan 8.230 nan 0.000 0.435 1152 M N -1.356 118.183 119.600 -0.101 0.000 2.348 1152 M HA 0.042 4.522 4.480 0.001 0.000 0.206 1152 M C 2.166 178.428 176.300 -0.064 0.000 1.286 1152 M CA 0.760 56.026 55.300 -0.057 0.000 1.229 1152 M CB -1.096 31.473 32.600 -0.051 0.000 1.052 1152 M HN -0.091 nan 8.290 nan 0.000 0.466 1153 E N 1.265 121.418 120.200 -0.079 0.000 2.136 1153 E HA -0.142 4.208 4.350 0.001 0.000 0.202 1153 E C 1.221 177.783 176.600 -0.064 0.000 1.019 1153 E CA 1.830 58.188 56.400 -0.070 0.000 0.819 1153 E CB -0.387 29.270 29.700 -0.071 0.000 0.739 1153 E HN 0.538 nan 8.360 nan 0.000 0.458 1154 A N -0.691 122.076 122.820 -0.089 0.000 2.579 1154 A HA 0.449 4.770 4.320 0.001 0.000 0.273 1154 A C 0.742 178.285 177.584 -0.068 0.000 1.363 1154 A CA 0.557 52.546 52.037 -0.079 0.000 0.953 1154 A CB -0.017 18.922 19.000 -0.102 0.000 1.034 1154 A HN 0.116 nan 8.150 nan 0.000 0.536 1155 S N -1.741 113.927 115.700 -0.052 0.000 4.572 1155 S HA 0.074 4.544 4.470 0.001 0.000 0.234 1155 S C 0.168 174.757 174.600 -0.018 0.000 1.071 1155 S CA 0.443 58.621 58.200 -0.037 0.000 1.087 1155 S CB -0.578 62.597 63.200 -0.041 0.000 1.979 1155 S HN 0.206 nan 8.310 nan 0.000 0.503 1156 D N 1.567 121.967 120.400 0.000 0.000 2.349 1156 D HA 0.027 4.668 4.640 0.001 0.000 0.215 1156 D C 0.966 177.323 176.300 0.095 0.000 1.075 1156 D CA 2.249 56.278 54.000 0.047 0.000 0.934 1156 D CB -1.174 39.673 40.800 0.078 0.000 1.234 1156 D HN 1.313 nan 8.370 nan 0.000 0.492 1157 A N -0.038 122.849 122.820 0.111 0.000 1.371 1157 A HA -0.131 4.189 4.320 0.001 0.000 0.173 1157 A C -0.349 177.412 177.584 0.295 0.000 1.184 1157 A CA 0.735 52.853 52.037 0.135 0.000 0.625 1157 A CB -1.369 17.655 19.000 0.041 0.000 1.069 1157 A HN 0.338 nan 8.150 nan 0.000 0.142 1158 F N 3.217 123.240 119.950 0.121 0.000 2.619 1158 F HA 0.736 5.263 4.527 0.001 0.000 0.308 1158 F C -0.384 175.517 175.800 0.168 0.000 1.097 1158 F CA -1.160 56.932 58.000 0.155 0.000 0.953 1158 F CB 1.465 40.579 39.000 0.191 0.000 1.287 1158 F HN 0.727 nan 8.300 nan 0.000 0.446 1159 R N 4.782 125.039 120.500 -0.406 0.000 2.310 1159 R HA 0.701 5.041 4.340 0.001 0.000 0.324 1159 R C -1.949 173.822 176.300 -0.883 0.000 0.955 1159 R CA -0.308 55.510 56.100 -0.471 0.000 0.830 1159 R CB 1.025 31.219 30.300 -0.176 0.000 1.154 1159 R HN 0.556 nan 8.270 nan 0.000 0.458 1160 V N 3.230 122.734 119.914 -0.683 0.000 3.046 1160 V HA 0.510 4.630 4.120 0.001 0.000 0.316 1160 V C -0.005 175.832 176.094 -0.429 0.000 1.104 1160 V CA -1.046 60.938 62.300 -0.526 0.000 1.006 1160 V CB 2.213 33.842 31.823 -0.323 0.000 1.058 1160 V HN 0.676 nan 8.190 nan 0.000 0.440 1161 H N 1.606 120.631 119.070 -0.076 0.000 2.499 1161 H HA 0.726 5.282 4.556 0.001 0.000 0.340 1161 H C -0.769 174.561 175.328 0.004 0.000 1.148 1161 H CA -0.227 55.815 56.048 -0.010 0.000 1.215 1161 H CB 2.200 32.017 29.762 0.091 0.000 1.529 1161 H HN 0.494 nan 8.280 nan 0.000 0.510 1162 I N 0.443 121.098 120.570 0.142 0.000 3.108 1162 I HA 0.191 4.361 4.170 0.001 0.000 0.312 1162 I C -0.005 176.165 176.117 0.088 0.000 1.095 1162 I CA -1.011 60.343 61.300 0.089 0.000 1.000 1162 I CB 2.335 40.361 38.000 0.043 0.000 1.229 1162 I HN 0.434 nan 8.210 nan 0.000 0.454 1163 C N 2.082 121.413 119.300 0.052 0.000 2.347 1163 C HA 0.526 4.986 4.460 0.001 0.000 0.353 1163 C C 1.661 176.647 174.990 -0.007 0.000 1.273 1163 C CA -0.130 58.907 59.018 0.031 0.000 1.861 1163 C CB -0.197 27.557 27.740 0.023 0.000 2.420 1163 C HN 1.025 nan 8.230 nan 0.000 0.542 1164 G N 4.441 113.266 108.800 0.040 0.000 2.559 1164 G HA2 -0.050 3.910 3.960 0.001 0.000 0.216 1164 G HA3 -0.050 3.910 3.960 0.001 0.000 0.216 1164 G C 1.107 175.867 174.900 -0.233 0.000 1.126 1164 G CA 0.750 45.837 45.100 -0.021 0.000 0.778 1164 G HN 0.837 nan 8.290 nan 0.000 0.543 1165 I N 0.218 120.709 120.570 -0.131 0.000 2.522 1165 I HA 0.047 4.217 4.170 0.001 0.000 0.240 1165 I C 0.989 177.081 176.117 -0.042 0.000 1.078 1165 I CA 0.452 61.690 61.300 -0.103 0.000 1.422 1165 I CB 0.245 38.228 38.000 -0.028 0.000 1.188 1165 I HN 0.242 nan 8.210 nan 0.000 0.442 1166 c N 1.506 120.119 118.600 0.021 0.000 2.206 1166 c HA 0.629 5.199 4.570 0.001 0.000 0.324 1166 c C 1.110 175.269 174.090 0.115 0.000 1.120 1166 c CA -1.337 55.054 56.329 0.104 0.000 1.546 1166 c CB -0.765 41.782 42.510 0.062 0.000 2.023 1166 c HN 0.560 nan 8.230 nan 0.000 0.448 1167 G N 4.202 113.180 108.800 0.297 0.000 2.608 1167 G HA2 0.321 4.281 3.960 0.001 0.000 0.283 1167 G HA3 0.321 4.281 3.960 0.001 0.000 0.283 1167 G C -0.192 174.744 174.900 0.059 0.000 0.648 1167 G CA 0.371 45.607 45.100 0.227 0.000 2.117 1167 G HN 0.853 nan 8.290 nan 0.000 0.545 1168 L N 0.080 121.324 121.223 0.035 0.000 2.250 1168 L HA 0.455 4.795 4.340 0.001 0.000 0.252 1168 L C 1.282 178.171 176.870 0.032 0.000 1.054 1168 L CA -1.259 53.589 54.840 0.015 0.000 0.856 1168 L CB 1.502 43.575 42.059 0.025 0.000 1.443 1168 L HN 0.086 nan 8.230 nan 0.000 0.427 1169 M N -0.631 118.994 119.600 0.042 0.000 2.495 1169 M HA 0.038 4.518 4.480 0.001 0.000 0.237 1169 M C 1.563 177.906 176.300 0.072 0.000 1.131 1169 M CA 0.305 55.643 55.300 0.063 0.000 1.032 1169 M CB -0.681 31.963 32.600 0.075 0.000 1.513 1169 M HN 0.782 nan 8.290 nan 0.000 0.488 1170 T N 1.298 115.888 114.554 0.061 0.000 2.594 1170 T HA -0.156 4.194 4.350 0.001 0.000 0.266 1170 T C 1.097 175.839 174.700 0.069 0.000 1.070 1170 T CA 0.896 63.031 62.100 0.058 0.000 1.166 1170 T CB -1.038 67.858 68.868 0.048 0.000 0.862 1170 T HN 0.281 nan 8.240 nan 0.000 0.436 1171 V N 2.713 122.676 119.914 0.082 0.000 2.996 1171 V HA -0.151 3.969 4.120 0.001 0.000 0.289 1171 V C 0.728 176.875 176.094 0.089 0.000 1.171 1171 V CA 0.518 62.879 62.300 0.102 0.000 1.298 1171 V CB -1.021 30.894 31.823 0.153 0.000 0.803 1171 V HN 0.429 nan 8.190 nan 0.000 0.448 1172 I N 5.328 125.930 120.570 0.053 0.000 2.213 1172 I HA 0.253 4.423 4.170 0.001 0.000 0.295 1172 I C 1.065 177.133 176.117 -0.082 0.000 1.172 1172 I CA -0.010 61.294 61.300 0.006 0.000 1.443 1172 I CB 0.238 38.239 38.000 0.001 0.000 1.491 1172 I HN 0.765 nan 8.210 nan 0.000 0.652 1173 A N 5.869 128.619 122.820 -0.116 0.000 2.444 1173 A HA 0.177 4.497 4.320 0.001 0.000 0.287 1173 A C 1.038 178.393 177.584 -0.382 0.000 1.195 1173 A CA -0.163 51.622 52.037 -0.419 0.000 0.858 1173 A CB -0.071 18.686 19.000 -0.405 0.000 1.117 1173 A HN 0.622 nan 8.150 nan 0.000 0.521 1174 K N 2.628 122.734 120.400 -0.490 0.000 2.458 1174 K HA 0.156 4.476 4.320 0.001 0.000 0.194 1174 K C 0.088 176.494 176.600 -0.325 0.000 1.024 1174 K CA -0.125 55.983 56.287 -0.298 0.000 1.108 1174 K CB -0.294 32.093 32.500 -0.189 0.000 0.846 1174 K HN 0.822 nan 8.250 nan 0.000 0.518 1175 L N 1.680 122.645 121.223 -0.430 0.000 4.548 1175 L HA -0.362 3.978 4.340 0.001 0.000 0.538 1175 L C 0.861 177.603 176.870 -0.213 0.000 0.943 1175 L CA 0.461 55.142 54.840 -0.265 0.000 0.817 1175 L CB -1.441 40.570 42.059 -0.080 0.000 1.849 1175 L HN 0.433 nan 8.230 nan 0.000 0.872 1176 N N -1.725 116.791 118.700 -0.307 0.000 3.137 1176 N HA 0.047 4.787 4.740 0.001 0.000 0.265 1176 N C 0.993 176.264 175.510 -0.399 0.000 0.926 1176 N CA 0.013 52.824 53.050 -0.399 0.000 1.169 1176 N CB 0.332 38.432 38.487 -0.644 0.000 1.394 1176 N HN 0.374 nan 8.380 nan 0.000 1.009 1177 H N 2.407 121.418 119.070 -0.099 0.000 2.645 1177 H HA 0.298 4.854 4.556 0.001 0.000 0.300 1177 H C 0.114 175.382 175.328 -0.100 0.000 1.065 1177 H CA -0.052 55.949 56.048 -0.079 0.000 1.173 1177 H CB -0.371 29.347 29.762 -0.073 0.000 1.383 1177 H HN 0.301 nan 8.280 nan 0.000 0.566 1178 N N 0.868 119.503 118.700 -0.108 0.000 2.656 1178 N HA -0.247 4.493 4.740 0.001 0.000 0.244 1178 N C 0.087 175.491 175.510 -0.177 0.000 1.151 1178 N CA 0.904 53.889 53.050 -0.109 0.000 0.865 1178 N CB -0.735 37.791 38.487 0.064 0.000 1.177 1178 N HN 0.616 nan 8.380 nan 0.000 0.586 1179 Q N -1.228 118.462 119.800 -0.184 0.000 2.428 1179 Q HA 0.125 4.465 4.340 0.001 0.000 0.276 1179 Q C 0.706 176.477 176.000 -0.383 0.000 1.059 1179 Q CA 0.603 56.324 55.803 -0.136 0.000 0.923 1179 Q CB 0.222 28.910 28.738 -0.083 0.000 1.283 1179 Q HN 0.300 nan 8.270 nan 0.000 0.447 1180 F N -0.903 119.004 119.950 -0.073 0.000 2.675 1180 F HA 0.109 4.637 4.527 0.001 0.000 0.315 1180 F C 0.565 176.319 175.800 -0.077 0.000 0.888 1180 F CA -0.179 57.755 58.000 -0.110 0.000 1.100 1180 F CB 0.661 39.576 39.000 -0.142 0.000 0.908 1180 F HN 0.601 nan 8.300 nan 0.000 0.657 1181 E N -0.565 119.704 120.200 0.115 0.000 6.294 1181 E HA -0.406 3.945 4.350 0.001 0.000 0.173 1181 E C -0.119 176.519 176.600 0.063 0.000 1.511 1181 E CA 1.539 57.976 56.400 0.062 0.000 2.628 1181 E CB -0.407 29.310 29.700 0.027 0.000 1.927 1181 E HN 0.481 nan 8.360 nan 0.000 0.413 1182 C N 1.172 120.497 119.300 0.041 0.000 2.311 1182 C HA 0.050 4.511 4.460 0.001 0.000 0.369 1182 C C -0.872 174.134 174.990 0.028 0.000 1.052 1182 C CA -0.058 58.984 59.018 0.039 0.000 0.580 1182 C CB -1.321 26.444 27.740 0.043 0.000 1.492 1182 C HN 0.633 nan 8.230 nan 0.000 0.786 1183 K N 1.164 121.577 120.400 0.023 0.000 2.604 1183 K HA 0.388 4.708 4.320 0.001 0.000 0.277 1183 K C 1.479 178.090 176.600 0.019 0.000 0.966 1183 K CA 1.734 58.032 56.287 0.018 0.000 0.991 1183 K CB -0.076 32.432 32.500 0.015 0.000 0.865 1183 K HN 1.685 nan 8.250 nan 0.000 0.511 1184 G N 0.001 108.811 108.800 0.016 0.000 4.391 1184 G HA2 -0.343 3.618 3.960 0.001 0.000 0.210 1184 G HA3 -0.343 3.618 3.960 0.001 0.000 0.210 1184 G C 1.159 176.069 174.900 0.017 0.000 1.547 1184 G CA -0.064 45.046 45.100 0.017 0.000 1.103 1184 G HN 0.687 nan 8.290 nan 0.000 0.637 1185 c N 2.239 120.851 118.600 0.019 0.000 2.618 1185 c HA 0.461 5.032 4.570 0.001 0.000 0.264 1185 c C 0.869 174.966 174.090 0.013 0.000 1.334 1185 c CA -0.238 56.102 56.329 0.017 0.000 1.731 1185 c CB -0.947 41.575 42.510 0.020 0.000 1.852 1185 c HN 0.799 nan 8.230 nan 0.000 0.566 1186 D N 2.134 122.542 120.400 0.014 0.000 3.665 1186 D HA -0.174 4.467 4.640 0.001 0.000 0.206 1186 D C -0.026 176.280 176.300 0.009 0.000 1.080 1186 D CA 0.833 54.841 54.000 0.012 0.000 1.080 1186 D CB -0.252 40.554 40.800 0.009 0.000 0.781 1186 D HN 0.554 nan 8.370 nan 0.000 0.401 1187 N N 2.394 121.102 118.700 0.012 0.000 3.364 1187 N HA 0.405 5.146 4.740 0.001 0.000 0.337 1187 N C 0.646 176.163 175.510 0.012 0.000 1.448 1187 N CA 0.058 53.112 53.050 0.006 0.000 0.645 1187 N CB 0.877 39.366 38.487 0.004 0.000 1.938 1187 N HN 0.525 nan 8.380 nan 0.000 0.541 1188 K N -1.182 119.227 120.400 0.014 0.000 3.218 1188 K HA 0.040 4.360 4.320 0.001 0.000 0.201 1188 K C 0.606 177.205 176.600 -0.002 0.000 1.146 1188 K CA 0.219 56.527 56.287 0.035 0.000 0.860 1188 K CB -0.854 31.663 32.500 0.029 0.000 1.948 1188 K HN 0.362 nan 8.250 nan 0.000 0.657 1189 I N -0.039 120.506 120.570 -0.042 0.000 3.534 1189 I HA 0.050 4.221 4.170 0.001 0.000 0.251 1189 I C 0.154 176.183 176.117 -0.146 0.000 1.136 1189 I CA -0.132 61.120 61.300 -0.081 0.000 1.475 1189 I CB 0.434 38.400 38.000 -0.057 0.000 1.526 1189 I HN 0.016 nan 8.210 nan 0.000 0.454 1190 D N 2.493 122.825 120.400 -0.114 0.000 2.402 1190 D HA 0.404 5.045 4.640 0.001 0.000 0.235 1190 D C -0.734 175.477 176.300 -0.149 0.000 1.226 1190 D CA 0.460 54.377 54.000 -0.139 0.000 0.918 1190 D CB 0.060 40.839 40.800 -0.035 0.000 1.043 1190 D HN 0.058 nan 8.370 nan 0.000 0.506 1191 I N 3.523 123.884 120.570 -0.349 0.000 2.607 1191 I HA 0.250 4.421 4.170 0.001 0.000 0.290 1191 I C -0.867 174.950 176.117 -0.500 0.000 1.129 1191 I CA -0.878 60.241 61.300 -0.302 0.000 1.042 1191 I CB 1.353 39.118 38.000 -0.392 0.000 1.242 1191 I HN 0.212 nan 8.210 nan 0.000 0.421 1192 Y N 3.235 123.445 120.300 -0.149 0.000 2.699 1192 Y HA 0.596 5.146 4.550 0.001 0.000 0.326 1192 Y C -0.023 175.831 175.900 -0.076 0.000 1.141 1192 Y CA -0.666 57.356 58.100 -0.129 0.000 1.246 1192 Y CB 1.042 39.431 38.460 -0.118 0.000 1.426 1192 Y HN 0.385 nan 8.280 nan 0.000 0.559 1193 Q N 2.067 121.893 119.800 0.044 0.000 2.289 1193 Q HA 0.639 4.979 4.340 0.001 0.000 0.270 1193 Q C -1.781 174.084 176.000 -0.224 0.000 1.038 1193 Q CA -0.610 55.096 55.803 -0.160 0.000 0.812 1193 Q CB 2.470 31.089 28.738 -0.198 0.000 1.300 1193 Q HN 0.806 nan 8.270 nan 0.000 0.427 1194 I N -0.799 119.587 120.570 -0.306 0.000 3.042 1194 I HA 0.597 4.768 4.170 0.001 0.000 0.310 1194 I C -1.238 174.669 176.117 -0.350 0.000 1.117 1194 I CA -1.075 60.059 61.300 -0.277 0.000 1.003 1194 I CB 2.567 40.501 38.000 -0.110 0.000 1.228 1194 I HN 0.553 nan 8.210 nan 0.000 0.443 1195 H N 4.293 123.326 119.070 -0.063 0.000 2.511 1195 H HA 0.744 5.300 4.556 0.001 0.000 0.328 1195 H C -0.657 174.670 175.328 -0.002 0.000 1.044 1195 H CA -0.358 55.662 56.048 -0.046 0.000 1.212 1195 H CB 1.889 31.639 29.762 -0.021 0.000 1.428 1195 H HN 0.724 nan 8.280 nan 0.000 0.483 1196 I N 0.070 120.725 120.570 0.141 0.000 3.102 1196 I HA 0.498 4.669 4.170 0.001 0.000 0.310 1196 I C -2.961 173.244 176.117 0.147 0.000 1.246 1196 I CA -2.783 58.590 61.300 0.122 0.000 0.979 1196 I CB 3.149 41.222 38.000 0.120 0.000 1.267 1196 I HN 0.160 nan 8.210 nan 0.000 0.451 1197 P HA -0.038 nan 4.420 nan 0.000 0.267 1197 P C 0.158 177.555 177.300 0.162 0.000 1.209 1197 P CA 0.387 63.556 63.100 0.114 0.000 0.763 1197 P CB 0.472 32.197 31.700 0.041 0.000 0.816 1198 Y N 4.964 125.333 120.300 0.114 0.000 2.139 1198 Y HA -0.350 4.200 4.550 0.001 0.000 0.282 1198 Y C 2.409 178.307 175.900 -0.004 0.000 1.179 1198 Y CA 2.455 60.607 58.100 0.086 0.000 1.161 1198 Y CB -0.586 37.798 38.460 -0.126 0.000 0.970 1198 Y HN 0.487 nan 8.280 nan 0.000 0.511 1199 A N 0.544 123.508 122.820 0.240 0.000 1.873 1199 A HA -0.275 4.045 4.320 0.001 0.000 0.218 1199 A C 2.441 179.983 177.584 -0.070 0.000 1.193 1199 A CA 2.353 54.453 52.037 0.106 0.000 0.629 1199 A CB -1.685 17.337 19.000 0.037 0.000 0.826 1199 A HN 0.671 nan 8.150 nan 0.000 0.447 1200 A N 0.151 122.879 122.820 -0.154 0.000 1.873 1200 A HA -0.265 4.055 4.320 0.001 0.000 0.218 1200 A C 2.163 179.378 177.584 -0.616 0.000 1.193 1200 A CA 2.480 54.244 52.037 -0.454 0.000 0.629 1200 A CB -0.645 18.134 19.000 -0.368 0.000 0.826 1200 A HN 0.658 nan 8.150 nan 0.000 0.447 1201 K N -0.301 119.946 120.400 -0.256 0.000 2.015 1201 K HA -0.213 4.107 4.320 0.001 0.000 0.216 1201 K C 2.036 178.570 176.600 -0.111 0.000 1.052 1201 K CA 1.994 58.225 56.287 -0.093 0.000 0.937 1201 K CB -0.524 31.892 32.500 -0.139 0.000 0.719 1201 K HN 0.455 nan 8.250 nan 0.000 0.446 1202 L N 0.952 122.075 121.223 -0.167 0.000 1.990 1202 L HA -0.240 4.100 4.340 0.001 0.000 0.213 1202 L C 2.755 179.592 176.870 -0.055 0.000 1.072 1202 L CA 1.332 56.137 54.840 -0.058 0.000 0.755 1202 L CB -0.479 41.600 42.059 0.033 0.000 0.889 1202 L HN 0.373 nan 8.230 nan 0.000 0.432 1203 L N -0.421 120.701 121.223 -0.168 0.000 2.034 1203 L HA -0.319 4.021 4.340 0.001 0.000 0.217 1203 L C 2.157 179.021 176.870 -0.010 0.000 1.077 1203 L CA 2.098 56.838 54.840 -0.166 0.000 0.769 1203 L CB -0.754 41.082 42.059 -0.373 0.000 0.890 1203 L HN 0.145 nan 8.230 nan 0.000 0.435 1204 F N -0.736 119.219 119.950 0.009 0.000 2.031 1204 F HA -0.258 4.269 4.527 0.001 0.000 0.295 1204 F C 2.677 178.482 175.800 0.009 0.000 1.133 1204 F CA 1.248 59.252 58.000 0.006 0.000 1.188 1204 F CB -0.655 38.347 39.000 0.003 0.000 0.974 1204 F HN 0.115 nan 8.300 nan 0.000 0.473 1205 Q N 0.510 120.433 119.800 0.206 0.000 2.096 1205 Q HA -0.272 4.069 4.340 0.001 0.000 0.208 1205 Q C 1.979 178.034 176.000 0.093 0.000 0.993 1205 Q CA 2.159 58.033 55.803 0.119 0.000 0.862 1205 Q CB -0.371 28.416 28.738 0.081 0.000 0.915 1205 Q HN 0.531 nan 8.270 nan 0.000 0.416 1206 E N 0.419 120.667 120.200 0.080 0.000 2.058 1206 E HA -0.208 4.143 4.350 0.001 0.000 0.194 1206 E C 2.084 178.724 176.600 0.068 0.000 0.997 1206 E CA 1.001 57.438 56.400 0.062 0.000 0.801 1206 E CB -0.193 29.535 29.700 0.046 0.000 0.746 1206 E HN 0.338 nan 8.360 nan 0.000 0.450 1207 L N 0.237 121.517 121.223 0.093 0.000 2.042 1207 L HA -0.222 4.118 4.340 0.001 0.000 0.210 1207 L C 2.594 179.504 176.870 0.067 0.000 1.076 1207 L CA 1.134 56.027 54.840 0.087 0.000 0.749 1207 L CB -0.269 41.868 42.059 0.129 0.000 0.893 1207 L HN 0.228 nan 8.230 nan 0.000 0.432 1208 M N -0.934 118.710 119.600 0.073 0.000 2.117 1208 M HA -0.197 4.283 4.480 0.001 0.000 0.262 1208 M C 2.423 178.748 176.300 0.042 0.000 1.065 1208 M CA 1.867 57.197 55.300 0.051 0.000 1.114 1208 M CB -0.513 32.120 32.600 0.055 0.000 1.361 1208 M HN 0.299 nan 8.290 nan 0.000 0.408 1209 A N -0.220 122.627 122.820 0.047 0.000 2.070 1209 A HA -0.095 4.226 4.320 0.001 0.000 0.220 1209 A C 1.951 179.555 177.584 0.033 0.000 1.159 1209 A CA 1.256 53.316 52.037 0.038 0.000 0.656 1209 A CB -0.615 18.409 19.000 0.040 0.000 0.800 1209 A HN 0.499 nan 8.150 nan 0.000 0.453 1210 M N -0.647 118.974 119.600 0.034 0.000 2.530 1210 M HA 0.090 4.570 4.480 0.001 0.000 0.231 1210 M C 0.631 176.946 176.300 0.024 0.000 1.180 1210 M CA 0.031 55.348 55.300 0.028 0.000 0.985 1210 M CB -0.302 32.317 32.600 0.030 0.000 1.623 1210 M HN 0.631 nan 8.290 nan 0.000 0.475 1211 N N 1.307 120.022 118.700 0.025 0.000 2.753 1211 N HA -0.190 4.550 4.740 0.001 0.000 0.251 1211 N C -0.648 174.871 175.510 0.015 0.000 1.097 1211 N CA 0.512 53.574 53.050 0.019 0.000 0.786 1211 N CB -0.543 37.953 38.487 0.015 0.000 1.137 1211 N HN 0.412 nan 8.380 nan 0.000 0.566 1212 I N 1.607 122.188 120.570 0.019 0.000 2.392 1212 I HA 0.151 4.322 4.170 0.001 0.000 0.295 1212 I C 0.624 176.745 176.117 0.006 0.000 0.985 1212 I CA -0.352 60.956 61.300 0.012 0.000 1.221 1212 I CB 1.596 39.607 38.000 0.019 0.000 1.366 1212 I HN 0.084 nan 8.210 nan 0.000 0.467 1213 T N 4.465 119.011 114.554 -0.014 0.000 2.756 1213 T HA 0.564 4.914 4.350 0.001 0.000 0.290 1213 T C -2.373 172.281 174.700 -0.077 0.000 0.985 1213 T CA -1.553 60.526 62.100 -0.035 0.000 0.955 1213 T CB 1.133 69.982 68.868 -0.032 0.000 0.930 1213 T HN 0.341 nan 8.240 nan 0.000 0.451 1214 P HA 0.428 nan 4.420 nan 0.000 0.303 1214 P C -0.769 176.364 177.300 -0.278 0.000 1.370 1214 P CA -0.783 62.178 63.100 -0.230 0.000 0.854 1214 P CB 1.042 32.541 31.700 -0.336 0.000 0.946 1215 R N 3.458 123.812 120.500 -0.242 0.000 2.221 1215 R HA 0.429 4.770 4.340 0.001 0.000 0.327 1215 R C -0.062 176.136 176.300 -0.170 0.000 1.033 1215 R CA -0.731 55.252 56.100 -0.196 0.000 0.887 1215 R CB 1.130 31.234 30.300 -0.328 0.000 1.057 1215 R HN 0.552 nan 8.270 nan 0.000 0.455 1216 L N 5.196 126.401 121.223 -0.031 0.000 2.259 1216 L HA 0.325 4.666 4.340 0.001 0.000 0.288 1216 L C -0.777 176.236 176.870 0.238 0.000 1.051 1216 L CA -0.500 54.342 54.840 0.004 0.000 0.824 1216 L CB 0.092 42.100 42.059 -0.085 0.000 1.206 1216 L HN 0.375 nan 8.230 nan 0.000 0.429 1217 Y N 0.935 121.144 120.300 -0.153 0.000 2.352 1217 Y HA 0.181 4.731 4.550 0.001 0.000 0.339 1217 Y C 1.535 177.308 175.900 -0.211 0.000 0.992 1217 Y CA -1.451 56.542 58.100 -0.178 0.000 1.100 1217 Y CB 1.986 40.366 38.460 -0.133 0.000 1.192 1217 Y HN 0.525 nan 8.280 nan 0.000 0.458 1218 T N -2.417 111.964 114.554 -0.289 0.000 3.148 1218 T HA 0.124 4.475 4.350 0.001 0.000 0.253 1218 T C -0.491 174.087 174.700 -0.203 0.000 1.134 1218 T CA 0.137 62.045 62.100 -0.320 0.000 1.051 1218 T CB -0.601 67.864 68.868 -0.670 0.000 0.959 1218 T HN 0.552 nan 8.240 nan 0.000 0.525 1219 D N 0.188 120.514 120.400 -0.124 0.000 2.990 1219 D HA 0.284 4.924 4.640 0.001 0.000 0.227 1219 D C -0.417 175.890 176.300 0.011 0.000 1.249 1219 D CA -1.022 52.944 54.000 -0.056 0.000 0.891 1219 D CB 1.119 41.877 40.800 -0.070 0.000 1.647 1219 D HN 0.342 nan 8.370 nan 0.000 0.530 1220 R N 0.563 121.073 120.500 0.017 0.000 2.539 1220 R HA 0.560 4.900 4.340 0.001 0.000 0.275 1220 R C -0.014 176.308 176.300 0.037 0.000 1.077 1220 R CA -0.542 55.578 56.100 0.034 0.000 1.097 1220 R CB 0.611 30.931 30.300 0.033 0.000 1.018 1220 R HN 0.544 nan 8.270 nan 0.000 0.483 1221 S N 0.713 116.440 115.700 0.045 0.000 2.787 1221 S HA 0.102 4.573 4.470 0.001 0.000 0.255 1221 S C 1.149 175.768 174.600 0.031 0.000 1.051 1221 S CA -0.698 57.524 58.200 0.037 0.000 1.124 1221 S CB 0.260 63.491 63.200 0.052 0.000 1.104 1221 S HN 0.769 nan 8.310 nan 0.000 0.623 1222 R N 1.527 122.054 120.500 0.046 0.000 2.393 1222 R HA 0.146 4.486 4.340 0.001 0.000 0.244 1222 R C -0.432 175.918 176.300 0.083 0.000 0.920 1222 R CA 0.281 56.421 56.100 0.066 0.000 1.076 1222 R CB -0.206 30.150 30.300 0.093 0.000 1.119 1222 R HN 0.346 nan 8.270 nan 0.000 0.524 1223 D N -0.480 119.952 120.400 0.052 0.000 3.254 1223 D HA -0.312 4.328 4.640 0.001 0.000 0.216 1223 D C 0.119 176.521 176.300 0.169 0.000 1.556 1223 D CA 2.027 56.047 54.000 0.034 0.000 1.105 1223 D CB -0.464 40.285 40.800 -0.085 0.000 0.682 1223 D HN 0.123 nan 8.370 nan 0.000 0.810 1224 F N 0.000 119.948 119.950 -0.003 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 1224 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574