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 2cw0_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYRRAL QADVPPEKRE NVGIQAAFRE DATA SEQUENCE TFPIEEEDKG KGGLVLDFLE YRLGEPPFPQ DECREKDLTY QAPLYARLQL DATA SEQUENCE IHKDTGLIKE DEVFLGHIPL MTEDGSFIIN GADRVIVSQI HRSPGVYFTP DATA SEQUENCE DPARPGRYIA SIIPLPKRGP WIDLEVEPNG VVSMKVNKRK FPLVLLLRVL DATA SEQUENCE GYDQETLARE LGAYGELVQG LMDESVFAMR PEEALIRLFT LLRPGDPPKR DATA SEQUENCE DKAVAYVYGL IADPRRYDLG EAGRYKAEEK LGIRLSGRTL ARFEDGEFKD DATA SEQUENCE EVFLPTLRYL FALTAGVPGH EVDDIDHLGN RRIRTVGELM TDQFRVGLAR DATA SEQUENCE LARGVRERML MGSEDSLTPA KLVNSRPLEA AIREFFSRSQ LSQFKDETNP DATA SEQUENCE LSSLRHKRRI SALGPGGLTR ERAGFDVRDV HRTHYGRICP VETPEGANIG DATA SEQUENCE LITSLAAYAR VDELGFIRTP YRRVVGGVVT DEVVYMTATE EDRYTIAQAN DATA SEQUENCE TPLEGNRIAA ERVVARRKGE PVIVSPEEVE FMDVSPKQVF SVNTNLIPFL DATA SEQUENCE EHDDANRALM GSNMQTQAVP LIRAQAPVVM TGLEERVVRD SLAALYAEED DATA SEQUENCE GEVAKVDGNR IVVRYEDGRL VEYPLRRFYR SNQGTALDQR PRVVVGQRVR DATA SEQUENCE KGDLLADGPA SENGFLALGQ NVLVAIMPFD GYNFEDAIVI SEELLKRDFY DATA SEQUENCE TSIHIERYEI EARDTKLGPE RITRDIPHLS EAALRDLDEE GVVRIGAEVK DATA SEQUENCE PGDILVGRTS FKGESEPTPE ERLLRSIFGE KARDVKDTSL RVPPGEGGIV DATA SEQUENCE VRTVRLRRGD PGVELKPGVR EVVRVYVAQK RKLQVGDKLA NRHGNKGVVA DATA SEQUENCE KILPVEDMPH LPDGTPVDVI LNPLGVPSRM NLGQILETHL GLAGYFLGQR DATA SEQUENCE YISPIFDGAK EPEIKELLAQ AFEVYFGKRK GEGFGVDKRE VEVLRRAEKL DATA SEQUENCE GLVTPGKTPE EQLKELFLQG KVVLYDGRTG EPIEGPIVVG QMFIMKLYHM DATA SEQUENCE VEDKMHARST GPYSLITQQP LGGKAQFGGQ RFGEMEVWAL EAYGAAHTLQ DATA SEQUENCE EMLTLKSDDI EGRNAAYEAI IKGEDVPEPS VPESFRVLVK ELQALALDVQ DATA SEQUENCE TLDEKDNPVD IFEGLASKR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.046 0.000 1.302 2 E N 2.297 122.467 120.200 -0.050 0.000 2.171 2 E HA 0.543 4.888 4.350 -0.009 0.000 0.271 2 E C -1.061 175.498 176.600 -0.069 0.000 0.916 2 E CA -0.846 55.528 56.400 -0.044 0.000 0.774 2 E CB 2.253 31.933 29.700 -0.033 0.000 1.128 2 E HN 0.392 nan 8.360 nan 0.000 0.403 3 I N 3.616 124.165 120.570 -0.035 0.000 2.291 3 I HA 0.166 4.331 4.170 -0.009 0.000 0.292 3 I C 0.309 176.408 176.117 -0.030 0.000 1.064 3 I CA -0.058 61.226 61.300 -0.027 0.000 1.269 3 I CB 0.350 38.374 38.000 0.041 0.000 1.418 3 I HN 0.378 nan 8.210 nan 0.000 0.485 4 K N 7.657 128.027 120.400 -0.051 0.000 2.123 4 K HA 0.712 5.026 4.320 -0.009 0.000 0.248 4 K C -0.557 176.056 176.600 0.020 0.000 0.969 4 K CA -0.682 55.588 56.287 -0.028 0.000 0.882 4 K CB 1.730 34.232 32.500 0.003 0.000 1.080 4 K HN 0.641 nan 8.250 nan 0.000 0.441 5 R N 1.305 121.764 120.500 -0.069 0.000 2.771 5 R HA 0.451 4.786 4.340 -0.009 0.000 0.274 5 R C -1.124 175.089 176.300 -0.145 0.000 0.987 5 R CA -0.851 55.252 56.100 0.005 0.000 0.908 5 R CB 0.856 31.170 30.300 0.025 0.000 1.213 5 R HN 0.268 nan 8.270 nan 0.000 0.468 6 F N 0.233 120.248 119.950 0.108 0.000 2.629 6 F HA 0.661 5.183 4.527 -0.009 0.000 0.386 6 F C 1.134 176.982 175.800 0.080 0.000 1.135 6 F CA 0.027 58.085 58.000 0.097 0.000 1.116 6 F CB 1.058 40.123 39.000 0.108 0.000 1.426 6 F HN 0.861 nan 8.300 nan 0.000 0.501 7 G N 1.411 110.420 108.800 0.350 0.000 3.644 7 G HA2 -0.178 3.776 3.960 -0.009 0.000 0.429 7 G HA3 -0.178 3.776 3.960 -0.009 0.000 0.429 7 G C -0.854 174.126 174.900 0.133 0.000 1.588 7 G CA -0.246 44.978 45.100 0.207 0.000 1.288 7 G HN 0.786 nan 8.290 nan 0.000 0.581 8 R N 0.496 121.056 120.500 0.100 0.000 2.564 8 R HA 0.692 5.027 4.340 -0.009 0.000 0.284 8 R C -0.343 175.988 176.300 0.052 0.000 1.031 8 R CA -0.779 55.362 56.100 0.068 0.000 0.904 8 R CB 1.186 31.518 30.300 0.054 0.000 1.199 8 R HN 1.224 nan 8.270 nan 0.000 0.443 9 I N 0.733 121.327 120.570 0.039 0.000 2.686 9 I HA 0.363 4.527 4.170 -0.009 0.000 0.280 9 I C -0.777 175.349 176.117 0.013 0.000 1.322 9 I CA -1.110 60.204 61.300 0.023 0.000 1.107 9 I CB 1.650 39.663 38.000 0.022 0.000 1.366 9 I HN 0.328 nan 8.210 nan 0.000 0.443 10 R N 4.197 124.701 120.500 0.008 0.000 2.498 10 R HA 0.092 4.427 4.340 -0.009 0.000 0.334 10 R C -0.203 176.095 176.300 -0.004 0.000 1.106 10 R CA 0.286 56.389 56.100 0.005 0.000 0.995 10 R CB -0.199 30.104 30.300 0.004 0.000 0.989 10 R HN 0.684 nan 8.270 nan 0.000 0.455 11 E N 1.993 122.193 120.200 0.001 0.000 2.406 11 E HA -0.095 4.250 4.350 -0.009 0.000 0.247 11 E C 1.163 177.769 176.600 0.010 0.000 1.160 11 E CA -0.121 56.278 56.400 -0.002 0.000 0.950 11 E CB 0.626 30.338 29.700 0.020 0.000 0.993 11 E HN 0.275 nan 8.360 nan 0.000 0.472 12 V N 5.608 125.520 119.914 -0.005 0.000 2.231 12 V HA -0.089 4.026 4.120 -0.009 0.000 0.240 12 V C 0.883 177.003 176.094 0.043 0.000 1.039 12 V CA 1.319 63.624 62.300 0.009 0.000 0.998 12 V CB 0.113 31.929 31.823 -0.013 0.000 0.639 12 V HN 0.602 nan 8.190 nan 0.000 0.451 13 I N -0.201 120.414 120.570 0.075 0.000 2.385 13 I HA 0.541 4.705 4.170 -0.009 0.000 0.294 13 I C -2.324 173.927 176.117 0.222 0.000 0.988 13 I CA -2.292 59.090 61.300 0.135 0.000 1.265 13 I CB 0.768 38.862 38.000 0.156 0.000 1.388 13 I HN 0.126 nan 8.210 nan 0.000 0.480 14 P HA 0.113 nan 4.420 nan 0.000 0.271 14 P C -0.291 176.964 177.300 -0.075 0.000 1.244 14 P CA -0.504 62.630 63.100 0.057 0.000 0.793 14 P CB 0.403 32.104 31.700 0.002 0.000 0.984 15 L N 1.503 122.583 121.223 -0.238 0.000 2.482 15 L HA 0.157 4.492 4.340 -0.009 0.000 0.273 15 L C -1.953 174.696 176.870 -0.369 0.000 1.228 15 L CA -0.886 53.596 54.840 -0.597 0.000 0.827 15 L CB -0.870 40.972 42.059 -0.361 0.000 1.099 15 L HN 0.295 nan 8.230 nan 0.000 0.494 16 P HA 0.304 nan 4.420 nan 0.000 0.284 16 P C -2.519 174.697 177.300 -0.140 0.000 1.258 16 P CA -1.690 61.306 63.100 -0.174 0.000 0.824 16 P CB 0.123 31.752 31.700 -0.119 0.000 1.038 17 P HA 0.020 nan 4.420 nan 0.000 0.261 17 P C 0.255 177.506 177.300 -0.082 0.000 1.183 17 P CA 0.356 63.405 63.100 -0.085 0.000 0.761 17 P CB 0.164 31.825 31.700 -0.065 0.000 0.785 18 L N 2.127 123.301 121.223 -0.081 0.000 2.376 18 L HA -0.061 4.273 4.340 -0.009 0.000 0.219 18 L C 1.826 178.662 176.870 -0.057 0.000 1.133 18 L CA 1.555 56.352 54.840 -0.070 0.000 0.816 18 L CB -1.149 40.870 42.059 -0.067 0.000 0.933 18 L HN 0.327 nan 8.230 nan 0.000 0.449 19 T N -0.968 113.552 114.554 -0.055 0.000 3.129 19 T HA -0.067 4.278 4.350 -0.009 0.000 0.251 19 T C 1.729 176.402 174.700 -0.044 0.000 1.117 19 T CA 0.317 62.386 62.100 -0.052 0.000 1.034 19 T CB -0.082 68.756 68.868 -0.051 0.000 0.968 19 T HN 0.404 nan 8.240 nan 0.000 0.526 20 E N 2.228 122.402 120.200 -0.042 0.000 2.114 20 E HA -0.230 4.114 4.350 -0.009 0.000 0.199 20 E C 1.750 178.336 176.600 -0.024 0.000 1.008 20 E CA 1.535 57.915 56.400 -0.033 0.000 0.810 20 E CB -0.413 29.261 29.700 -0.043 0.000 0.739 20 E HN 0.497 nan 8.360 nan 0.000 0.456 21 I N 1.565 122.117 120.570 -0.031 0.000 2.315 21 I HA -0.297 3.868 4.170 -0.009 0.000 0.251 21 I C 2.744 178.851 176.117 -0.016 0.000 1.125 21 I CA 1.527 62.812 61.300 -0.025 0.000 1.392 21 I CB -0.504 37.476 38.000 -0.033 0.000 1.065 21 I HN 0.110 nan 8.210 nan 0.000 0.424 22 Q N -0.220 119.561 119.800 -0.032 0.000 2.178 22 Q HA 0.080 4.415 4.340 -0.009 0.000 0.195 22 Q C 2.557 178.557 176.000 0.000 0.000 0.960 22 Q CA 0.957 56.733 55.803 -0.046 0.000 0.843 22 Q CB -0.452 28.215 28.738 -0.118 0.000 0.927 22 Q HN 0.388 nan 8.270 nan 0.000 0.487 23 V N 2.156 122.069 119.914 -0.001 0.000 2.222 23 V HA -0.230 3.885 4.120 -0.009 0.000 0.240 23 V C 2.281 178.426 176.094 0.085 0.000 1.040 23 V CA 1.801 64.127 62.300 0.044 0.000 0.988 23 V CB -0.632 31.203 31.823 0.019 0.000 0.633 23 V HN 0.290 nan 8.190 nan 0.000 0.452 24 E N 0.085 120.314 120.200 0.048 0.000 2.169 24 E HA -0.273 4.071 4.350 -0.009 0.000 0.202 24 E C 2.456 179.098 176.600 0.071 0.000 1.016 24 E CA 1.929 58.358 56.400 0.047 0.000 0.817 24 E CB -0.565 29.145 29.700 0.016 0.000 0.736 24 E HN 0.546 nan 8.360 nan 0.000 0.462 25 S N -0.718 115.034 115.700 0.086 0.000 2.383 25 S HA -0.152 4.313 4.470 -0.009 0.000 0.227 25 S C 1.743 176.456 174.600 0.187 0.000 1.026 25 S CA 0.509 58.776 58.200 0.111 0.000 0.981 25 S CB -0.230 63.033 63.200 0.106 0.000 0.818 25 S HN 0.287 nan 8.310 nan 0.000 0.472 26 Y N 2.383 122.723 120.300 0.066 0.000 2.632 26 Y HA 0.231 4.776 4.550 -0.009 0.000 0.301 26 Y C 2.186 178.132 175.900 0.077 0.000 1.172 26 Y CA 0.389 58.551 58.100 0.102 0.000 1.328 26 Y CB -0.207 38.358 38.460 0.174 0.000 1.016 26 Y HN 0.248 nan 8.280 nan 0.000 0.529 27 R N 0.147 120.724 120.500 0.128 0.000 2.052 27 R HA -0.053 4.282 4.340 -0.009 0.000 0.224 27 R C 2.015 178.323 176.300 0.012 0.000 1.165 27 R CA 1.097 57.235 56.100 0.064 0.000 0.939 27 R CB -0.137 30.202 30.300 0.065 0.000 0.834 27 R HN 0.151 nan 8.270 nan 0.000 0.435 28 R N 0.439 120.950 120.500 0.019 0.000 2.293 28 R HA -0.017 4.317 4.340 -0.009 0.000 0.219 28 R C 2.117 178.391 176.300 -0.042 0.000 1.091 28 R CA 0.751 56.852 56.100 0.002 0.000 1.004 28 R CB -0.191 30.119 30.300 0.016 0.000 0.865 28 R HN 0.317 nan 8.270 nan 0.000 0.469 29 A N 1.857 124.633 122.820 -0.074 0.000 1.845 29 A HA -0.108 4.207 4.320 -0.009 0.000 0.215 29 A C 1.240 178.660 177.584 -0.274 0.000 1.195 29 A CA 1.127 53.056 52.037 -0.180 0.000 0.616 29 A CB -0.204 18.626 19.000 -0.284 0.000 0.832 29 A HN 0.298 nan 8.150 nan 0.000 0.443 30 L N -3.111 117.944 121.223 -0.279 0.000 2.529 30 L HA 0.398 4.733 4.340 -0.009 0.000 0.246 30 L C -0.555 176.298 176.870 -0.028 0.000 1.394 30 L CA -0.562 54.156 54.840 -0.204 0.000 0.906 30 L CB 0.749 42.620 42.059 -0.314 0.000 1.170 30 L HN 0.052 nan 8.230 nan 0.000 0.501 31 Q N 1.809 121.637 119.800 0.047 0.000 2.597 31 Q HA -0.040 4.295 4.340 -0.009 0.000 0.291 31 Q C 0.994 177.090 176.000 0.158 0.000 1.304 31 Q CA 0.852 56.724 55.803 0.115 0.000 1.015 31 Q CB 0.660 29.492 28.738 0.157 0.000 1.354 31 Q HN 0.920 nan 8.270 nan 0.000 0.477 32 A N 2.455 125.304 122.820 0.049 0.000 1.944 32 A HA -0.073 4.242 4.320 -0.009 0.000 0.209 32 A C 1.611 179.166 177.584 -0.047 0.000 1.328 32 A CA 0.735 52.753 52.037 -0.031 0.000 0.693 32 A CB -0.142 18.839 19.000 -0.031 0.000 0.994 32 A HN 0.566 nan 8.150 nan 0.000 0.485 33 D N -0.080 120.315 120.400 -0.008 0.000 2.280 33 D HA -0.103 4.532 4.640 -0.009 0.000 0.206 33 D C 0.762 177.058 176.300 -0.006 0.000 0.988 33 D CA 1.435 55.433 54.000 -0.003 0.000 0.886 33 D CB -0.234 40.577 40.800 0.018 0.000 0.914 33 D HN 0.362 nan 8.370 nan 0.000 0.473 34 V N -3.509 116.406 119.914 0.002 0.000 2.769 34 V HA 0.621 4.735 4.120 -0.009 0.000 0.312 34 V C -2.486 173.608 176.094 0.001 0.000 1.058 34 V CA -2.272 60.034 62.300 0.011 0.000 0.952 34 V CB 1.281 33.125 31.823 0.035 0.000 1.019 34 V HN -0.217 nan 8.190 nan 0.000 0.445 35 P HA 0.230 nan 4.420 nan 0.000 0.266 35 P C -2.272 175.066 177.300 0.063 0.000 1.195 35 P CA -0.941 62.161 63.100 0.005 0.000 0.768 35 P CB -0.075 31.631 31.700 0.009 0.000 0.838 36 P HA -0.183 nan 4.420 nan 0.000 0.221 36 P C 1.244 178.628 177.300 0.139 0.000 1.145 36 P CA 1.072 64.314 63.100 0.237 0.000 0.795 36 P CB 0.101 31.919 31.700 0.198 0.000 0.775 37 E N -0.115 120.129 120.200 0.073 0.000 2.265 37 E HA -0.123 4.222 4.350 -0.009 0.000 0.196 37 E C 0.712 177.345 176.600 0.056 0.000 0.996 37 E CA 0.915 57.344 56.400 0.048 0.000 0.832 37 E CB -0.514 29.202 29.700 0.026 0.000 0.756 37 E HN 0.030 nan 8.360 nan 0.000 0.491 38 K N -0.022 120.421 120.400 0.071 0.000 2.188 38 K HA 0.017 4.331 4.320 -0.009 0.000 0.246 38 K C 1.181 177.823 176.600 0.070 0.000 1.026 38 K CA 0.048 56.375 56.287 0.067 0.000 0.871 38 K CB 0.291 32.835 32.500 0.073 0.000 1.042 38 K HN -0.047 nan 8.250 nan 0.000 0.509 39 R N 1.016 121.550 120.500 0.056 0.000 2.064 39 R HA 0.005 4.340 4.340 -0.009 0.000 0.221 39 R C -0.051 176.278 176.300 0.049 0.000 1.136 39 R CA 0.788 56.918 56.100 0.049 0.000 0.980 39 R CB -0.002 30.321 30.300 0.038 0.000 0.876 39 R HN 0.607 nan 8.270 nan 0.000 0.437 40 E N 1.364 121.592 120.200 0.047 0.000 2.868 40 E HA -0.140 4.205 4.350 -0.009 0.000 0.246 40 E C -0.339 176.281 176.600 0.032 0.000 0.962 40 E CA 0.882 57.304 56.400 0.038 0.000 0.955 40 E CB -0.102 29.621 29.700 0.038 0.000 0.903 40 E HN 0.525 nan 8.360 nan 0.000 0.524 41 N N 0.899 119.605 118.700 0.010 0.000 2.299 41 N HA 0.100 4.834 4.740 -0.009 0.000 0.246 41 N C -0.124 175.348 175.510 -0.063 0.000 1.254 41 N CA -0.331 52.705 53.050 -0.023 0.000 0.879 41 N CB 0.588 39.072 38.487 -0.005 0.000 1.214 41 N HN 0.046 nan 8.380 nan 0.000 0.510 42 V N -0.038 119.843 119.914 -0.055 0.000 3.815 42 V HA 0.491 4.605 4.120 -0.009 0.000 0.269 42 V C 1.911 177.902 176.094 -0.171 0.000 0.928 42 V CA 0.157 62.404 62.300 -0.087 0.000 0.912 42 V CB -0.191 31.624 31.823 -0.014 0.000 1.227 42 V HN 0.429 nan 8.190 nan 0.000 0.404 43 G N -0.334 108.331 108.800 -0.225 0.000 2.661 43 G HA2 -0.333 3.622 3.960 -0.009 0.000 0.327 43 G HA3 -0.333 3.622 3.960 -0.009 0.000 0.327 43 G C 0.630 175.297 174.900 -0.388 0.000 1.320 43 G CA 0.993 45.915 45.100 -0.297 0.000 0.997 43 G HN 0.663 nan 8.290 nan 0.000 0.543 44 I N 0.645 120.921 120.570 -0.491 0.000 2.145 44 I HA -0.177 3.988 4.170 -0.009 0.000 0.244 44 I C 2.820 178.701 176.117 -0.393 0.000 1.075 44 I CA 2.405 63.302 61.300 -0.672 0.000 1.332 44 I CB -0.404 37.144 38.000 -0.753 0.000 1.033 44 I HN 0.515 nan 8.210 nan 0.000 0.410 45 Q N -0.246 119.374 119.800 -0.300 0.000 2.541 45 Q HA -0.017 4.317 4.340 -0.009 0.000 0.215 45 Q C 1.802 177.690 176.000 -0.186 0.000 0.977 45 Q CA 1.106 56.745 55.803 -0.273 0.000 0.934 45 Q CB 0.143 28.688 28.738 -0.322 0.000 0.988 45 Q HN 0.615 nan 8.270 nan 0.000 0.521 46 A N -1.066 121.622 122.820 -0.219 0.000 2.070 46 A HA 0.319 4.634 4.320 -0.009 0.000 0.202 46 A C 2.032 179.482 177.584 -0.223 0.000 1.277 46 A CA 0.713 52.630 52.037 -0.200 0.000 0.872 46 A CB -0.117 18.738 19.000 -0.241 0.000 0.933 46 A HN 0.297 nan 8.150 nan 0.000 0.475 47 A N -0.461 122.196 122.820 -0.273 0.000 1.898 47 A HA 0.055 4.370 4.320 -0.009 0.000 0.216 47 A C 1.845 179.285 177.584 -0.239 0.000 1.181 47 A CA 1.476 53.364 52.037 -0.247 0.000 0.620 47 A CB -0.689 18.224 19.000 -0.145 0.000 0.819 47 A HN 0.384 nan 8.150 nan 0.000 0.442 48 F N -0.233 119.575 119.950 -0.237 0.000 2.060 48 F HA -0.066 4.456 4.527 -0.009 0.000 0.295 48 F C 2.327 177.916 175.800 -0.351 0.000 1.120 48 F CA 1.630 59.366 58.000 -0.441 0.000 1.205 48 F CB -0.774 37.920 39.000 -0.510 0.000 0.986 48 F HN 0.162 nan 8.300 nan 0.000 0.470 49 R N 1.001 121.447 120.500 -0.090 0.000 2.211 49 R HA -0.204 4.130 4.340 -0.009 0.000 0.240 49 R C 1.993 178.274 176.300 -0.032 0.000 1.144 49 R CA 1.594 57.668 56.100 -0.043 0.000 0.992 49 R CB -0.672 29.610 30.300 -0.029 0.000 0.869 49 R HN 0.492 nan 8.270 nan 0.000 0.462 50 E N -1.315 118.836 120.200 -0.083 0.000 2.158 50 E HA -0.063 4.281 4.350 -0.009 0.000 0.191 50 E C -0.219 176.324 176.600 -0.094 0.000 0.982 50 E CA 1.450 57.795 56.400 -0.092 0.000 0.823 50 E CB 0.333 29.958 29.700 -0.125 0.000 0.766 50 E HN 0.317 nan 8.360 nan 0.000 0.468 51 T N 0.046 114.523 114.554 -0.129 0.000 3.487 51 T HA 0.215 4.559 4.350 -0.009 0.000 0.287 51 T C -0.149 174.473 174.700 -0.130 0.000 1.004 51 T CA -0.496 61.519 62.100 -0.141 0.000 0.977 51 T CB -0.003 68.742 68.868 -0.205 0.000 1.180 51 T HN 0.007 nan 8.240 nan 0.000 0.490 52 F N 1.908 121.831 119.950 -0.045 0.000 2.479 52 F HA 0.339 4.860 4.527 -0.009 0.000 0.280 52 F C -1.815 173.968 175.800 -0.028 0.000 0.982 52 F CA -0.628 57.347 58.000 -0.042 0.000 1.276 52 F CB -0.812 38.136 39.000 -0.086 0.000 1.137 52 F HN -0.040 nan 8.300 nan 0.000 0.660 53 P HA 0.004 nan 4.420 nan 0.000 0.245 53 P C -0.108 177.223 177.300 0.051 0.000 1.670 53 P CA 0.368 63.521 63.100 0.089 0.000 1.146 53 P CB -0.514 31.217 31.700 0.052 0.000 1.954 54 I N 1.643 122.252 120.570 0.065 0.000 2.501 54 I HA -0.033 4.132 4.170 -0.009 0.000 0.305 54 I C 0.682 176.809 176.117 0.016 0.000 1.197 54 I CA 0.135 61.455 61.300 0.034 0.000 1.793 54 I CB -0.857 37.170 38.000 0.045 0.000 1.521 54 I HN 0.092 nan 8.210 nan 0.000 0.843 55 E N 6.440 126.642 120.200 0.004 0.000 1.852 55 E HA 0.024 4.368 4.350 -0.009 0.000 0.276 55 E C -0.652 175.952 176.600 0.007 0.000 1.163 55 E CA -0.067 56.334 56.400 0.003 0.000 1.117 55 E CB 0.026 29.722 29.700 -0.006 0.000 1.124 55 E HN 0.476 nan 8.360 nan 0.000 0.458 56 E N 2.302 122.509 120.200 0.013 0.000 2.229 56 E HA 0.081 4.425 4.350 -0.009 0.000 0.283 56 E C 0.129 176.742 176.600 0.023 0.000 1.030 56 E CA -0.010 56.400 56.400 0.018 0.000 0.836 56 E CB 1.854 31.564 29.700 0.017 0.000 1.068 56 E HN 0.561 nan 8.360 nan 0.000 0.401 57 E N 2.387 122.604 120.200 0.028 0.000 2.933 57 E HA 0.055 4.399 4.350 -0.009 0.000 0.301 57 E C -0.599 176.020 176.600 0.032 0.000 0.836 57 E CA -0.265 56.154 56.400 0.032 0.000 1.213 57 E CB 0.556 30.279 29.700 0.038 0.000 2.349 57 E HN 0.327 nan 8.360 nan 0.000 0.558 58 D N 1.172 121.592 120.400 0.034 0.000 2.414 58 D HA 0.248 4.882 4.640 -0.009 0.000 0.232 58 D C -0.498 175.818 176.300 0.028 0.000 1.070 58 D CA -0.051 53.968 54.000 0.030 0.000 0.839 58 D CB 1.499 42.318 40.800 0.030 0.000 1.079 58 D HN 0.115 nan 8.370 nan 0.000 0.521 59 K N 0.905 121.320 120.400 0.024 0.000 2.761 59 K HA 0.339 4.654 4.320 -0.009 0.000 0.196 59 K C 0.614 177.225 176.600 0.019 0.000 1.134 59 K CA -0.360 55.940 56.287 0.022 0.000 1.082 59 K CB 2.036 34.549 32.500 0.022 0.000 0.768 59 K HN 0.615 nan 8.250 nan 0.000 0.475 60 G N 1.310 110.122 108.800 0.019 0.000 3.432 60 G HA2 -0.111 3.843 3.960 -0.009 0.000 0.188 60 G HA3 -0.111 3.843 3.960 -0.009 0.000 0.188 60 G C -0.841 174.070 174.900 0.017 0.000 2.301 60 G CA -0.435 44.675 45.100 0.016 0.000 1.337 60 G HN 0.001 nan 8.290 nan 0.000 0.406 61 K N 0.550 120.961 120.400 0.019 0.000 2.592 61 K HA 0.541 4.855 4.320 -0.009 0.000 0.265 61 K C 0.021 176.636 176.600 0.026 0.000 1.006 61 K CA 0.507 56.807 56.287 0.021 0.000 0.907 61 K CB 1.053 33.563 32.500 0.017 0.000 1.309 61 K HN 1.000 nan 8.250 nan 0.000 0.452 62 G N 0.837 109.655 108.800 0.031 0.000 3.125 62 G HA2 0.337 4.291 3.960 -0.009 0.000 0.136 62 G HA3 0.337 4.291 3.960 -0.009 0.000 0.136 62 G C 0.286 175.212 174.900 0.044 0.000 1.411 62 G CA 0.594 45.717 45.100 0.037 0.000 1.130 62 G HN 1.090 nan 8.290 nan 0.000 0.701 63 G N 0.103 108.925 108.800 0.037 0.000 2.422 63 G HA2 0.127 4.082 3.960 -0.009 0.000 0.290 63 G HA3 0.127 4.082 3.960 -0.009 0.000 0.290 63 G C -0.227 174.693 174.900 0.033 0.000 1.059 63 G CA 0.377 45.499 45.100 0.037 0.000 1.242 63 G HN 1.318 nan 8.290 nan 0.000 0.520 64 L N 1.649 122.886 121.223 0.022 0.000 2.264 64 L HA 0.751 5.086 4.340 -0.009 0.000 0.289 64 L C -0.100 176.767 176.870 -0.006 0.000 1.044 64 L CA -0.734 54.111 54.840 0.008 0.000 0.807 64 L CB 1.906 43.972 42.059 0.013 0.000 1.192 64 L HN 0.285 nan 8.230 nan 0.000 0.425 65 V N 6.958 126.853 119.914 -0.032 0.000 2.439 65 V HA 0.299 4.413 4.120 -0.009 0.000 0.277 65 V C -0.688 175.368 176.094 -0.063 0.000 1.008 65 V CA -0.417 61.861 62.300 -0.037 0.000 0.846 65 V CB 1.321 33.121 31.823 -0.038 0.000 1.031 65 V HN 0.614 nan 8.190 nan 0.000 0.441 66 L N 4.661 125.862 121.223 -0.036 0.000 2.360 66 L HA 0.569 4.903 4.340 -0.009 0.000 0.265 66 L C 0.525 177.348 176.870 -0.079 0.000 1.066 66 L CA 0.391 55.199 54.840 -0.055 0.000 0.929 66 L CB 0.142 42.201 42.059 -0.001 0.000 1.306 66 L HN 0.514 nan 8.230 nan 0.000 0.434 67 D N 2.251 122.582 120.400 -0.115 0.000 2.169 67 D HA 0.073 4.708 4.640 -0.009 0.000 0.253 67 D C -0.796 175.350 176.300 -0.256 0.000 1.257 67 D CA 0.630 54.557 54.000 -0.122 0.000 0.976 67 D CB 0.472 41.210 40.800 -0.104 0.000 1.195 67 D HN 0.341 nan 8.370 nan 0.000 0.534 68 F N -0.304 119.414 119.950 -0.386 0.000 2.605 68 F HA 0.229 4.750 4.527 -0.009 0.000 0.320 68 F C -0.838 174.810 175.800 -0.254 0.000 1.159 68 F CA -0.556 57.137 58.000 -0.512 0.000 0.999 68 F CB 0.388 39.109 39.000 -0.465 0.000 1.258 68 F HN 0.129 nan 8.300 nan 0.000 0.464 69 L N 2.314 123.019 121.223 -0.862 0.000 2.630 69 L HA 0.503 4.837 4.340 -0.009 0.000 0.180 69 L C -0.069 176.257 176.870 -0.908 0.000 1.221 69 L CA 0.011 54.439 54.840 -0.688 0.000 0.853 69 L CB -0.111 41.730 42.059 -0.363 0.000 1.172 69 L HN 0.534 nan 8.230 nan 0.000 0.508 70 E N -1.678 118.128 120.200 -0.656 0.000 2.442 70 E HA 0.465 4.809 4.350 -0.009 0.000 0.261 70 E C -1.716 174.972 176.600 0.146 0.000 0.935 70 E CA -0.639 55.612 56.400 -0.248 0.000 0.856 70 E CB 2.041 31.695 29.700 -0.076 0.000 1.571 70 E HN 0.173 nan 8.360 nan 0.000 0.431 71 Y N -1.342 119.006 120.300 0.080 0.000 2.513 71 Y HA 0.805 5.349 4.550 -0.009 0.000 0.340 71 Y C -1.263 174.726 175.900 0.148 0.000 1.055 71 Y CA -1.492 56.737 58.100 0.215 0.000 1.020 71 Y CB 1.563 40.257 38.460 0.389 0.000 1.301 71 Y HN 0.454 nan 8.280 nan 0.000 0.453 72 R N 2.637 123.146 120.500 0.015 0.000 2.912 72 R HA 0.469 4.803 4.340 -0.009 0.000 0.278 72 R C -2.316 173.973 176.300 -0.019 0.000 1.533 72 R CA -0.618 55.420 56.100 -0.102 0.000 1.061 72 R CB 0.170 30.438 30.300 -0.054 0.000 1.313 72 R HN 0.618 nan 8.270 nan 0.000 0.443 73 L N 1.562 122.743 121.223 -0.069 0.000 2.479 73 L HA 0.644 4.979 4.340 -0.009 0.000 0.270 73 L C 1.314 178.134 176.870 -0.083 0.000 1.236 73 L CA 1.202 55.989 54.840 -0.087 0.000 0.823 73 L CB 0.539 42.560 42.059 -0.064 0.000 1.098 73 L HN 0.927 nan 8.230 nan 0.000 0.500 74 G N -0.483 108.246 108.800 -0.118 0.000 3.418 74 G HA2 0.359 4.314 3.960 -0.009 0.000 0.179 74 G HA3 0.359 4.314 3.960 -0.009 0.000 0.179 74 G C -1.017 173.860 174.900 -0.038 0.000 1.212 74 G CA -0.428 44.640 45.100 -0.053 0.000 0.935 74 G HN 0.500 nan 8.290 nan 0.000 0.716 75 E N 2.019 122.202 120.200 -0.027 0.000 1.993 75 E HA 0.386 4.730 4.350 -0.009 0.000 0.271 75 E C -2.460 174.129 176.600 -0.018 0.000 1.008 75 E CA -1.536 54.857 56.400 -0.011 0.000 0.814 75 E CB 1.667 31.365 29.700 -0.003 0.000 1.098 75 E HN 0.068 nan 8.360 nan 0.000 0.407 76 P HA -0.095 nan 4.420 nan 0.000 0.264 76 P C -1.894 175.413 177.300 0.012 0.000 1.179 76 P CA -0.696 62.404 63.100 -0.000 0.000 0.763 76 P CB 0.235 31.969 31.700 0.056 0.000 0.806 77 P HA -0.133 nan 4.420 nan 0.000 0.214 77 P C -0.100 177.065 177.300 -0.224 0.000 1.163 77 P CA 1.653 64.722 63.100 -0.053 0.000 0.889 77 P CB 0.049 31.824 31.700 0.124 0.000 0.790 78 F N -2.788 117.187 119.950 0.041 0.000 2.814 78 F HA 0.550 5.071 4.527 -0.009 0.000 0.353 78 F C -2.258 173.602 175.800 0.100 0.000 1.177 78 F CA -2.061 55.973 58.000 0.056 0.000 1.036 78 F CB 0.133 39.157 39.000 0.040 0.000 1.455 78 F HN -0.284 nan 8.300 nan 0.000 0.520 79 P HA 0.366 nan 4.420 nan 0.000 0.289 79 P C -0.934 176.372 177.300 0.010 0.000 1.302 79 P CA -0.489 62.683 63.100 0.120 0.000 0.923 79 P CB 2.231 33.970 31.700 0.064 0.000 1.238 80 Q N 0.508 120.173 119.800 -0.225 0.000 1.914 80 Q HA -0.273 4.061 4.340 -0.009 0.000 0.222 80 Q C 1.466 177.393 176.000 -0.122 0.000 1.031 80 Q CA 2.747 58.375 55.803 -0.291 0.000 0.886 80 Q CB -1.106 27.408 28.738 -0.374 0.000 0.982 80 Q HN 0.504 nan 8.270 nan 0.000 0.417 81 D N -0.054 120.281 120.400 -0.109 0.000 2.203 81 D HA -0.165 4.469 4.640 -0.009 0.000 0.199 81 D C 1.502 177.796 176.300 -0.010 0.000 0.997 81 D CA 1.044 55.004 54.000 -0.067 0.000 0.863 81 D CB -0.042 40.720 40.800 -0.062 0.000 0.928 81 D HN 0.170 nan 8.370 nan 0.000 0.458 82 E N -0.891 119.316 120.200 0.012 0.000 2.489 82 E HA 0.035 4.379 4.350 -0.009 0.000 0.193 82 E C 0.695 177.282 176.600 -0.023 0.000 1.057 82 E CA 0.015 56.433 56.400 0.031 0.000 0.866 82 E CB 0.065 29.839 29.700 0.123 0.000 0.916 82 E HN 0.319 nan 8.360 nan 0.000 0.500 83 C N -0.556 118.736 119.300 -0.014 0.000 3.038 83 C HA 0.300 4.755 4.460 -0.009 0.000 0.279 83 C C 2.136 177.113 174.990 -0.020 0.000 1.276 83 C CA -0.300 58.705 59.018 -0.022 0.000 1.697 83 C CB -0.281 27.485 27.740 0.043 0.000 2.032 83 C HN 0.324 nan 8.230 nan 0.000 0.636 84 R N 0.358 120.852 120.500 -0.011 0.000 2.164 84 R HA 0.065 4.399 4.340 -0.009 0.000 0.198 84 R C 1.973 178.289 176.300 0.027 0.000 1.028 84 R CA 0.335 56.439 56.100 0.008 0.000 1.083 84 R CB -0.052 30.259 30.300 0.018 0.000 1.026 84 R HN 0.488 nan 8.270 nan 0.000 0.514 85 E N 1.426 121.642 120.200 0.027 0.000 2.001 85 E HA -0.144 4.201 4.350 -0.009 0.000 0.195 85 E C 0.630 177.236 176.600 0.010 0.000 1.002 85 E CA 1.315 57.734 56.400 0.033 0.000 0.819 85 E CB 0.269 29.986 29.700 0.030 0.000 0.769 85 E HN -0.113 nan 8.360 nan 0.000 0.454 86 K N 0.300 120.679 120.400 -0.036 0.000 2.863 86 K HA 0.003 4.318 4.320 -0.009 0.000 0.315 86 K C -0.697 175.864 176.600 -0.066 0.000 1.051 86 K CA 0.981 57.220 56.287 -0.079 0.000 1.028 86 K CB 0.295 32.679 32.500 -0.193 0.000 1.129 86 K HN -0.034 nan 8.250 nan 0.000 0.459 87 D N 0.064 120.407 120.400 -0.095 0.000 2.846 87 D HA 0.258 4.892 4.640 -0.009 0.000 0.279 87 D C -1.149 175.107 176.300 -0.075 0.000 1.222 87 D CA -0.071 53.892 54.000 -0.062 0.000 0.769 87 D CB 0.223 41.004 40.800 -0.033 0.000 1.299 87 D HN 0.175 nan 8.370 nan 0.000 0.537 88 L N -1.147 120.020 121.223 -0.093 0.000 2.211 88 L HA 0.721 5.055 4.340 -0.009 0.000 0.259 88 L C 0.026 176.880 176.870 -0.028 0.000 1.031 88 L CA -1.088 53.703 54.840 -0.082 0.000 0.877 88 L CB 1.426 43.395 42.059 -0.151 0.000 1.457 88 L HN -0.136 nan 8.230 nan 0.000 0.466 89 T N -0.255 114.284 114.554 -0.023 0.000 2.756 89 T HA 0.209 4.553 4.350 -0.009 0.000 0.290 89 T C -0.689 174.025 174.700 0.024 0.000 0.985 89 T CA -0.177 61.925 62.100 0.004 0.000 0.955 89 T CB 0.272 69.118 68.868 -0.037 0.000 0.930 89 T HN 0.356 nan 8.240 nan 0.000 0.451 90 Y N 4.933 125.219 120.300 -0.023 0.000 2.733 90 Y HA 0.112 4.656 4.550 -0.009 0.000 0.359 90 Y C 0.477 176.363 175.900 -0.023 0.000 1.242 90 Y CA -0.089 58.009 58.100 -0.003 0.000 1.715 90 Y CB -0.556 37.924 38.460 0.032 0.000 1.365 90 Y HN 0.609 nan 8.280 nan 0.000 0.488 91 Q N 3.762 123.334 119.800 -0.380 0.000 2.699 91 Q HA 0.907 5.241 4.340 -0.009 0.000 0.240 91 Q C -1.150 174.623 176.000 -0.379 0.000 1.033 91 Q CA -1.240 54.323 55.803 -0.400 0.000 0.938 91 Q CB 1.448 30.029 28.738 -0.262 0.000 1.312 91 Q HN 0.634 nan 8.270 nan 0.000 0.507 92 A N 0.683 123.393 122.820 -0.183 0.000 2.398 92 A HA 0.646 4.960 4.320 -0.009 0.000 0.301 92 A C -2.675 174.907 177.584 -0.004 0.000 1.041 92 A CA -1.630 50.340 52.037 -0.112 0.000 0.711 92 A CB 1.207 20.127 19.000 -0.134 0.000 1.240 92 A HN 0.301 nan 8.150 nan 0.000 0.420 93 P HA 0.355 nan 4.420 nan 0.000 0.276 93 P C -0.821 176.201 177.300 -0.463 0.000 1.230 93 P CA -0.032 62.866 63.100 -0.336 0.000 0.776 93 P CB 0.692 32.065 31.700 -0.544 0.000 0.888 94 L N 5.598 126.585 121.223 -0.393 0.000 2.433 94 L HA 0.381 4.716 4.340 -0.009 0.000 0.256 94 L C -1.484 175.374 176.870 -0.020 0.000 1.063 94 L CA -0.700 54.038 54.840 -0.169 0.000 0.922 94 L CB -0.138 41.965 42.059 0.073 0.000 1.238 94 L HN 0.221 nan 8.230 nan 0.000 0.466 95 Y N 2.660 123.050 120.300 0.151 0.000 2.805 95 Y HA 0.846 5.391 4.550 -0.009 0.000 0.339 95 Y C 0.232 176.213 175.900 0.135 0.000 1.012 95 Y CA -1.989 56.217 58.100 0.176 0.000 1.262 95 Y CB -0.340 38.243 38.460 0.205 0.000 1.100 95 Y HN 0.514 nan 8.280 nan 0.000 0.559 96 A N 3.787 126.802 122.820 0.325 0.000 2.371 96 A HA 0.498 4.812 4.320 -0.009 0.000 0.257 96 A C 0.541 178.204 177.584 0.132 0.000 1.089 96 A CA -0.813 51.376 52.037 0.252 0.000 0.794 96 A CB 0.394 19.564 19.000 0.284 0.000 1.029 96 A HN 0.815 nan 8.150 nan 0.000 0.488 97 R N 0.226 120.751 120.500 0.043 0.000 2.734 97 R HA 0.460 4.795 4.340 -0.009 0.000 0.266 97 R C -0.634 175.586 176.300 -0.132 0.000 1.044 97 R CA 0.278 56.344 56.100 -0.057 0.000 1.128 97 R CB 0.228 30.462 30.300 -0.110 0.000 1.010 97 R HN 0.667 nan 8.270 nan 0.000 0.461 98 L N 0.577 121.718 121.223 -0.138 0.000 2.397 98 L HA 0.419 4.753 4.340 -0.009 0.000 0.251 98 L C -1.219 175.557 176.870 -0.157 0.000 1.064 98 L CA -0.886 53.839 54.840 -0.191 0.000 0.859 98 L CB 2.446 44.417 42.059 -0.147 0.000 1.468 98 L HN 0.700 nan 8.230 nan 0.000 0.411 99 Q N 1.489 121.189 119.800 -0.166 0.000 2.429 99 Q HA 0.505 4.839 4.340 -0.009 0.000 0.247 99 Q C -2.081 173.834 176.000 -0.142 0.000 0.915 99 Q CA -0.850 54.873 55.803 -0.135 0.000 0.971 99 Q CB 1.234 29.896 28.738 -0.128 0.000 1.468 99 Q HN 0.417 nan 8.270 nan 0.000 0.439 100 L N 1.166 122.299 121.223 -0.150 0.000 2.316 100 L HA 0.644 4.979 4.340 -0.009 0.000 0.280 100 L C -0.204 176.474 176.870 -0.321 0.000 1.006 100 L CA -0.866 53.859 54.840 -0.192 0.000 0.836 100 L CB 0.510 42.470 42.059 -0.165 0.000 1.221 100 L HN 0.565 nan 8.230 nan 0.000 0.418 101 I N 1.637 122.054 120.570 -0.254 0.000 3.393 101 I HA 0.226 4.391 4.170 -0.009 0.000 0.221 101 I C 0.419 176.261 176.117 -0.458 0.000 1.310 101 I CA 0.156 61.303 61.300 -0.255 0.000 0.936 101 I CB -0.361 37.577 38.000 -0.104 0.000 1.610 101 I HN 0.655 nan 8.210 nan 0.000 0.896 102 H N 0.781 119.848 119.070 -0.006 0.000 2.974 102 H HA 0.257 4.808 4.556 -0.009 0.000 0.366 102 H C -0.267 175.061 175.328 0.000 0.000 1.155 102 H CA -0.713 55.334 56.048 -0.002 0.000 1.186 102 H CB 1.773 31.533 29.762 -0.004 0.000 1.799 102 H HN 0.274 nan 8.280 nan 0.000 0.541 103 K N 1.687 122.168 120.400 0.134 0.000 2.706 103 K HA 0.110 4.425 4.320 -0.009 0.000 0.217 103 K C -0.187 176.451 176.600 0.064 0.000 1.019 103 K CA 0.306 56.637 56.287 0.074 0.000 1.181 103 K CB -0.038 32.495 32.500 0.055 0.000 0.940 103 K HN 0.541 nan 8.250 nan 0.000 0.491 104 D N -0.830 119.620 120.400 0.083 0.000 3.816 104 D HA 0.126 4.760 4.640 -0.009 0.000 0.272 104 D C -0.416 175.913 176.300 0.048 0.000 1.509 104 D CA -0.370 53.654 54.000 0.040 0.000 1.003 104 D CB 0.338 41.136 40.800 -0.003 0.000 1.333 104 D HN -0.274 nan 8.370 nan 0.000 0.648 105 T N 0.244 114.808 114.554 0.017 0.000 2.738 105 T HA 0.607 4.951 4.350 -0.009 0.000 0.298 105 T C 0.153 174.882 174.700 0.049 0.000 0.962 105 T CA -0.228 61.886 62.100 0.023 0.000 0.972 105 T CB 0.657 69.524 68.868 -0.002 0.000 0.928 105 T HN 0.686 nan 8.240 nan 0.000 0.474 106 G N 2.446 111.308 108.800 0.103 0.000 2.435 106 G HA2 0.222 4.177 3.960 -0.009 0.000 0.603 106 G HA3 0.222 4.177 3.960 -0.009 0.000 0.603 106 G C -1.397 173.624 174.900 0.201 0.000 1.496 106 G CA -1.155 44.050 45.100 0.174 0.000 0.896 106 G HN 0.748 nan 8.290 nan 0.000 0.657 107 L N 2.209 123.487 121.223 0.092 0.000 2.470 107 L HA 0.404 4.739 4.340 -0.009 0.000 0.256 107 L C 0.376 177.236 176.870 -0.017 0.000 1.357 107 L CA -0.709 54.122 54.840 -0.016 0.000 0.902 107 L CB 1.072 43.113 42.059 -0.030 0.000 1.121 107 L HN 0.492 nan 8.230 nan 0.000 0.507 108 I N 2.043 122.612 120.570 -0.003 0.000 2.671 108 I HA -0.037 4.128 4.170 -0.009 0.000 0.285 108 I C 0.824 176.917 176.117 -0.041 0.000 1.148 108 I CA 0.568 61.873 61.300 0.007 0.000 1.386 108 I CB 0.298 38.333 38.000 0.058 0.000 1.406 108 I HN 0.526 nan 8.210 nan 0.000 0.540 109 K N 6.173 126.550 120.400 -0.039 0.000 2.457 109 K HA 0.122 4.436 4.320 -0.009 0.000 0.226 109 K C 0.184 176.755 176.600 -0.049 0.000 1.114 109 K CA -0.494 55.758 56.287 -0.058 0.000 1.089 109 K CB 0.252 32.715 32.500 -0.062 0.000 1.739 109 K HN 0.368 nan 8.250 nan 0.000 0.473 110 E N 4.256 124.430 120.200 -0.044 0.000 1.999 110 E HA -0.063 4.281 4.350 -0.009 0.000 0.296 110 E C 0.213 176.788 176.600 -0.041 0.000 1.187 110 E CA 0.033 56.412 56.400 -0.035 0.000 1.229 110 E CB -0.368 29.318 29.700 -0.023 0.000 1.131 110 E HN 0.635 nan 8.360 nan 0.000 0.478 111 D N 1.935 122.304 120.400 -0.051 0.000 2.464 111 D HA -0.309 4.325 4.640 -0.009 0.000 0.614 111 D C 0.056 176.332 176.300 -0.041 0.000 0.600 111 D CA 1.411 55.376 54.000 -0.058 0.000 1.524 111 D CB -0.537 40.222 40.800 -0.068 0.000 0.341 111 D HN 0.394 nan 8.370 nan 0.000 0.194 112 E N 0.304 120.471 120.200 -0.056 0.000 2.408 112 E HA 0.384 4.729 4.350 -0.009 0.000 0.259 112 E C 0.244 176.875 176.600 0.052 0.000 1.110 112 E CA -0.265 56.117 56.400 -0.030 0.000 0.929 112 E CB 1.141 30.689 29.700 -0.252 0.000 0.971 112 E HN 0.512 nan 8.360 nan 0.000 0.438 113 V N -0.920 119.103 119.914 0.182 0.000 2.925 113 V HA 0.198 4.312 4.120 -0.009 0.000 0.252 113 V C -0.626 175.650 176.094 0.304 0.000 0.913 113 V CA -1.131 61.270 62.300 0.169 0.000 0.933 113 V CB -0.589 31.286 31.823 0.087 0.000 1.039 113 V HN 0.515 nan 8.190 nan 0.000 0.507 114 F N 4.029 124.121 119.950 0.237 0.000 2.494 114 F HA 0.755 5.277 4.527 -0.009 0.000 0.351 114 F C 0.096 175.925 175.800 0.048 0.000 1.205 114 F CA -1.474 56.636 58.000 0.183 0.000 1.125 114 F CB 0.251 39.371 39.000 0.201 0.000 1.268 114 F HN 0.435 nan 8.300 nan 0.000 0.593 115 L N 3.179 124.474 121.223 0.118 0.000 2.353 115 L HA 0.956 5.290 4.340 -0.009 0.000 0.269 115 L C 0.289 177.186 176.870 0.046 0.000 1.085 115 L CA -0.319 54.539 54.840 0.030 0.000 0.938 115 L CB 0.210 42.300 42.059 0.052 0.000 1.312 115 L HN 1.078 nan 8.230 nan 0.000 0.429 116 G N 0.733 109.542 108.800 0.015 0.000 2.555 116 G HA2 -0.075 3.879 3.960 -0.009 0.000 0.686 116 G HA3 -0.075 3.879 3.960 -0.009 0.000 0.686 116 G C -1.278 173.597 174.900 -0.042 0.000 1.275 116 G CA -0.900 44.209 45.100 0.015 0.000 0.871 116 G HN 0.692 nan 8.290 nan 0.000 0.603 117 H N -0.037 119.050 119.070 0.029 0.000 2.716 117 H HA 0.394 4.944 4.556 -0.009 0.000 0.260 117 H C 0.147 175.420 175.328 -0.091 0.000 1.280 117 H CA -0.436 55.598 56.048 -0.024 0.000 1.506 117 H CB 0.887 30.639 29.762 -0.017 0.000 1.514 117 H HN 0.648 nan 8.280 nan 0.000 0.502 118 I N 5.025 125.615 120.570 0.033 0.000 2.517 118 I HA 0.152 4.317 4.170 -0.009 0.000 0.285 118 I C -2.239 173.780 176.117 -0.164 0.000 1.106 118 I CA -1.396 59.863 61.300 -0.068 0.000 1.402 118 I CB 0.917 38.910 38.000 -0.012 0.000 1.399 118 I HN 0.226 nan 8.210 nan 0.000 0.535 119 P HA 0.159 nan 4.420 nan 0.000 0.270 119 P C -0.873 176.309 177.300 -0.196 0.000 1.223 119 P CA 0.000 62.872 63.100 -0.381 0.000 0.785 119 P CB 0.621 31.895 31.700 -0.710 0.000 0.923 120 L N 0.773 121.874 121.223 -0.203 0.000 2.271 120 L HA 0.610 4.944 4.340 -0.009 0.000 0.265 120 L C 0.237 177.323 176.870 0.361 0.000 1.013 120 L CA -1.075 53.799 54.840 0.057 0.000 0.820 120 L CB 1.444 43.394 42.059 -0.181 0.000 1.352 120 L HN 0.337 nan 8.230 nan 0.000 0.443 121 M N -0.323 119.608 119.600 0.552 0.000 2.578 121 M HA 0.393 4.867 4.480 -0.009 0.000 0.321 121 M C -0.502 176.034 176.300 0.392 0.000 1.182 121 M CA -0.290 55.367 55.300 0.595 0.000 0.965 121 M CB 2.135 34.975 32.600 0.400 0.000 1.694 121 M HN 0.500 nan 8.290 nan 0.000 0.461 122 T N 1.693 116.395 114.554 0.246 0.000 2.904 122 T HA 0.092 4.437 4.350 -0.009 0.000 0.290 122 T C 0.987 175.731 174.700 0.074 0.000 1.018 122 T CA -0.322 61.850 62.100 0.121 0.000 1.075 122 T CB 0.918 69.809 68.868 0.039 0.000 0.986 122 T HN 0.734 nan 8.240 nan 0.000 0.523 123 E N 0.762 120.991 120.200 0.049 0.000 2.219 123 E HA -0.241 4.104 4.350 -0.009 0.000 0.198 123 E C 1.591 178.196 176.600 0.008 0.000 0.998 123 E CA 1.685 58.106 56.400 0.036 0.000 0.818 123 E CB 0.059 29.773 29.700 0.023 0.000 0.741 123 E HN 0.754 nan 8.360 nan 0.000 0.477 124 D N -1.708 118.684 120.400 -0.013 0.000 2.137 124 D HA -0.052 4.583 4.640 -0.009 0.000 0.202 124 D C 1.361 177.627 176.300 -0.056 0.000 0.970 124 D CA 1.361 55.340 54.000 -0.035 0.000 0.837 124 D CB 0.111 40.884 40.800 -0.045 0.000 0.981 124 D HN 0.142 nan 8.370 nan 0.000 0.475 125 G N -0.796 107.955 108.800 -0.082 0.000 2.507 125 G HA2 -0.044 3.911 3.960 -0.009 0.000 0.205 125 G HA3 -0.044 3.911 3.960 -0.009 0.000 0.205 125 G C 0.151 174.875 174.900 -0.292 0.000 0.996 125 G CA 0.155 45.162 45.100 -0.156 0.000 0.776 125 G HN 0.777 nan 8.290 nan 0.000 0.532 126 S N -0.516 115.047 115.700 -0.229 0.000 2.747 126 S HA 0.909 5.373 4.470 -0.009 0.000 0.300 126 S C -0.253 174.232 174.600 -0.192 0.000 1.121 126 S CA -0.772 57.260 58.200 -0.279 0.000 0.995 126 S CB 2.119 65.245 63.200 -0.123 0.000 1.113 126 S HN 0.290 nan 8.310 nan 0.000 0.547 127 F N -0.712 119.242 119.950 0.006 0.000 2.613 127 F HA 0.614 5.136 4.527 -0.009 0.000 0.342 127 F C -0.002 175.838 175.800 0.066 0.000 1.066 127 F CA -1.374 56.670 58.000 0.075 0.000 1.002 127 F CB 1.871 40.937 39.000 0.110 0.000 1.319 127 F HN 0.405 nan 8.300 nan 0.000 0.495 128 I N 2.107 122.883 120.570 0.344 0.000 2.956 128 I HA 0.107 4.271 4.170 -0.009 0.000 0.311 128 I C 0.104 176.310 176.117 0.148 0.000 1.436 128 I CA -0.181 61.228 61.300 0.182 0.000 0.872 128 I CB 0.553 38.652 38.000 0.165 0.000 2.099 128 I HN 0.522 nan 8.210 nan 0.000 0.624 129 I N 2.226 122.883 120.570 0.146 0.000 2.052 129 I HA -0.283 3.881 4.170 -0.009 0.000 0.235 129 I C 1.995 178.145 176.117 0.055 0.000 1.046 129 I CA 1.998 63.365 61.300 0.113 0.000 1.308 129 I CB -0.291 37.795 38.000 0.143 0.000 1.031 129 I HN 0.508 nan 8.210 nan 0.000 0.395 130 N N -1.787 116.928 118.700 0.026 0.000 2.557 130 N HA 0.217 4.952 4.740 -0.009 0.000 0.217 130 N C 1.341 176.841 175.510 -0.016 0.000 1.062 130 N CA 1.147 54.201 53.050 0.006 0.000 0.863 130 N CB 0.963 39.458 38.487 0.013 0.000 1.390 130 N HN 0.413 nan 8.380 nan 0.000 0.445 131 G N -0.620 108.154 108.800 -0.044 0.000 4.694 131 G HA2 0.403 4.357 3.960 -0.009 0.000 0.218 131 G HA3 0.403 4.357 3.960 -0.009 0.000 0.218 131 G C -0.783 174.054 174.900 -0.104 0.000 0.652 131 G CA 0.374 45.444 45.100 -0.050 0.000 0.904 131 G HN 0.436 nan 8.290 nan 0.000 0.667 132 A N 0.800 123.516 122.820 -0.173 0.000 2.381 132 A HA 0.647 4.961 4.320 -0.009 0.000 0.299 132 A C -1.001 176.448 177.584 -0.226 0.000 1.049 132 A CA -0.550 51.307 52.037 -0.300 0.000 0.715 132 A CB 1.215 19.804 19.000 -0.685 0.000 1.222 132 A HN 0.002 nan 8.150 nan 0.000 0.428 133 D N 1.444 121.750 120.400 -0.157 0.000 2.571 133 D HA 0.179 4.813 4.640 -0.009 0.000 0.231 133 D C 0.291 176.537 176.300 -0.090 0.000 1.133 133 D CA 1.148 55.100 54.000 -0.079 0.000 0.862 133 D CB 0.417 41.169 40.800 -0.081 0.000 1.179 133 D HN 0.455 nan 8.370 nan 0.000 0.474 134 R N 0.816 121.323 120.500 0.012 0.000 2.750 134 R HA 0.670 5.005 4.340 -0.009 0.000 0.281 134 R C -1.163 175.142 176.300 0.008 0.000 0.972 134 R CA -0.951 55.173 56.100 0.040 0.000 0.912 134 R CB 1.902 32.271 30.300 0.115 0.000 1.187 134 R HN 0.185 nan 8.270 nan 0.000 0.464 135 V N 3.774 123.682 119.914 -0.009 0.000 2.864 135 V HA 0.483 4.598 4.120 -0.009 0.000 0.314 135 V C -0.501 175.572 176.094 -0.034 0.000 1.073 135 V CA -0.873 61.399 62.300 -0.047 0.000 0.956 135 V CB 2.302 34.201 31.823 0.126 0.000 1.023 135 V HN 0.568 nan 8.190 nan 0.000 0.435 136 I N 3.645 124.140 120.570 -0.124 0.000 2.428 136 I HA 0.295 4.460 4.170 -0.009 0.000 0.279 136 I C 0.094 176.176 176.117 -0.058 0.000 1.040 136 I CA -0.466 60.780 61.300 -0.090 0.000 1.171 136 I CB 1.131 39.085 38.000 -0.076 0.000 1.312 136 I HN 0.257 nan 8.210 nan 0.000 0.470 137 V N 5.160 125.045 119.914 -0.048 0.000 2.763 137 V HA 0.058 4.172 4.120 -0.009 0.000 0.306 137 V C 1.232 177.302 176.094 -0.040 0.000 1.059 137 V CA 0.192 62.438 62.300 -0.090 0.000 1.138 137 V CB 0.879 32.626 31.823 -0.128 0.000 0.940 137 V HN 0.775 nan 8.190 nan 0.000 0.489 138 S N 2.926 118.594 115.700 -0.054 0.000 2.617 138 S HA 0.364 4.828 4.470 -0.009 0.000 0.259 138 S C -0.143 174.442 174.600 -0.026 0.000 1.301 138 S CA -0.393 57.789 58.200 -0.030 0.000 0.984 138 S CB 0.813 63.986 63.200 -0.046 0.000 0.954 138 S HN 0.828 nan 8.310 nan 0.000 0.572 139 Q N -0.024 119.758 119.800 -0.031 0.000 2.418 139 Q HA 0.545 4.879 4.340 -0.009 0.000 0.282 139 Q C -1.954 173.988 176.000 -0.096 0.000 1.044 139 Q CA -0.571 55.215 55.803 -0.028 0.000 0.813 139 Q CB 1.170 29.925 28.738 0.029 0.000 1.428 139 Q HN 0.665 nan 8.270 nan 0.000 0.402 140 I N 2.527 123.058 120.570 -0.065 0.000 2.562 140 I HA 0.537 4.701 4.170 -0.009 0.000 0.301 140 I C -0.802 175.302 176.117 -0.022 0.000 1.003 140 I CA -0.754 60.483 61.300 -0.105 0.000 1.127 140 I CB 1.578 39.566 38.000 -0.019 0.000 1.304 140 I HN 0.771 nan 8.210 nan 0.000 0.446 141 H N 2.582 121.681 119.070 0.050 0.000 2.987 141 H HA 0.455 5.005 4.556 -0.009 0.000 0.316 141 H C -1.080 174.299 175.328 0.086 0.000 1.380 141 H CA -1.315 54.769 56.048 0.060 0.000 1.160 141 H CB 0.581 30.374 29.762 0.052 0.000 1.865 141 H HN 0.295 nan 8.280 nan 0.000 0.521 142 R N 1.011 121.712 120.500 0.335 0.000 2.566 142 R HA 0.132 4.467 4.340 -0.009 0.000 0.273 142 R C -0.143 176.403 176.300 0.410 0.000 0.981 142 R CA 0.799 57.053 56.100 0.257 0.000 1.091 142 R CB 0.009 30.363 30.300 0.090 0.000 0.924 142 R HN 0.829 nan 8.270 nan 0.000 0.411 143 S N 3.677 119.659 115.700 0.470 0.000 2.439 143 S HA 0.305 4.769 4.470 -0.009 0.000 0.282 143 S C -2.314 172.496 174.600 0.351 0.000 1.170 143 S CA -1.597 56.868 58.200 0.442 0.000 1.054 143 S CB 1.234 64.787 63.200 0.589 0.000 0.956 143 S HN 0.264 nan 8.310 nan 0.000 0.490 144 P HA 0.291 nan 4.420 nan 0.000 0.263 144 P C 0.887 178.217 177.300 0.050 0.000 1.162 144 P CA 1.206 64.375 63.100 0.115 0.000 0.758 144 P CB 0.107 31.847 31.700 0.066 0.000 0.773 145 G N 0.453 109.231 108.800 -0.037 0.000 2.470 145 G HA2 0.241 4.196 3.960 -0.009 0.000 0.145 145 G HA3 0.241 4.196 3.960 -0.009 0.000 0.145 145 G C -1.652 173.115 174.900 -0.222 0.000 1.223 145 G CA -0.333 44.666 45.100 -0.169 0.000 1.058 145 G HN 0.491 nan 8.290 nan 0.000 0.469 146 V N 0.512 120.199 119.914 -0.379 0.000 2.932 146 V HA 0.746 4.860 4.120 -0.009 0.000 0.307 146 V C -1.356 174.511 176.094 -0.380 0.000 1.147 146 V CA -0.741 61.393 62.300 -0.277 0.000 0.951 146 V CB 1.723 33.447 31.823 -0.165 0.000 1.031 146 V HN 0.777 nan 8.190 nan 0.000 0.426 147 Y N 2.400 122.626 120.300 -0.124 0.000 2.662 147 Y HA 0.806 5.351 4.550 -0.009 0.000 0.335 147 Y C -0.805 175.012 175.900 -0.138 0.000 1.066 147 Y CA -1.519 56.590 58.100 0.016 0.000 1.116 147 Y CB 1.718 40.167 38.460 -0.018 0.000 1.308 147 Y HN 0.475 nan 8.280 nan 0.000 0.502 148 F N 0.269 120.326 119.950 0.178 0.000 2.716 148 F HA 0.483 5.005 4.527 -0.009 0.000 0.354 148 F C -0.492 175.375 175.800 0.112 0.000 1.168 148 F CA -0.853 57.215 58.000 0.113 0.000 1.045 148 F CB 1.769 40.800 39.000 0.051 0.000 1.311 148 F HN 0.236 nan 8.300 nan 0.000 0.477 149 T N 4.073 118.735 114.554 0.179 0.000 2.829 149 T HA 0.414 4.759 4.350 -0.009 0.000 0.280 149 T C -2.674 172.138 174.700 0.186 0.000 0.999 149 T CA -1.814 60.383 62.100 0.163 0.000 0.983 149 T CB 1.790 70.715 68.868 0.095 0.000 0.968 149 T HN 0.063 nan 8.240 nan 0.000 0.446 150 P HA -0.064 nan 4.420 nan 0.000 0.257 150 P C 0.094 177.459 177.300 0.108 0.000 1.162 150 P CA 0.114 63.327 63.100 0.188 0.000 0.762 150 P CB 0.273 32.057 31.700 0.139 0.000 0.753 151 D N 5.259 125.709 120.400 0.083 0.000 2.548 151 D HA -0.069 4.566 4.640 -0.009 0.000 0.231 151 D C -1.163 175.155 176.300 0.029 0.000 1.142 151 D CA -0.907 53.120 54.000 0.045 0.000 0.866 151 D CB 0.461 41.269 40.800 0.013 0.000 1.190 151 D HN 0.170 nan 8.370 nan 0.000 0.469 152 P HA -0.235 nan 4.420 nan 0.000 0.224 152 P C 0.602 177.910 177.300 0.013 0.000 0.880 152 P CA 2.295 65.409 63.100 0.024 0.000 1.070 152 P CB 0.003 31.717 31.700 0.023 0.000 0.652 153 A N -0.951 121.874 122.820 0.007 0.000 1.844 153 A HA -0.015 4.300 4.320 -0.009 0.000 0.212 153 A C 0.971 178.550 177.584 -0.008 0.000 1.221 153 A CA 0.528 52.566 52.037 0.001 0.000 0.607 153 A CB -0.969 18.032 19.000 0.001 0.000 0.878 153 A HN 0.159 nan 8.150 nan 0.000 0.451 154 R N 1.068 121.560 120.500 -0.013 0.000 2.561 154 R HA 0.117 4.452 4.340 -0.009 0.000 0.347 154 R C -2.306 173.971 176.300 -0.039 0.000 0.916 154 R CA -0.741 55.344 56.100 -0.025 0.000 1.063 154 R CB -0.392 29.892 30.300 -0.027 0.000 0.916 154 R HN 0.260 nan 8.270 nan 0.000 0.410 155 P HA -0.014 nan 4.420 nan 0.000 0.235 155 P C 0.230 177.484 177.300 -0.077 0.000 1.670 155 P CA 0.320 63.390 63.100 -0.051 0.000 1.017 155 P CB 0.556 32.234 31.700 -0.037 0.000 1.945 156 G N 0.371 109.109 108.800 -0.103 0.000 2.478 156 G HA2 0.199 4.154 3.960 -0.009 0.000 0.211 156 G HA3 0.199 4.154 3.960 -0.009 0.000 0.211 156 G C 0.519 175.276 174.900 -0.238 0.000 1.726 156 G CA 0.179 45.199 45.100 -0.133 0.000 0.725 156 G HN 0.128 nan 8.290 nan 0.000 0.654 157 R N -1.467 118.866 120.500 -0.278 0.000 3.288 157 R HA 0.507 4.842 4.340 -0.009 0.000 0.245 157 R C -1.342 174.688 176.300 -0.451 0.000 1.436 157 R CA -0.664 55.112 56.100 -0.540 0.000 1.036 157 R CB -0.140 29.960 30.300 -0.332 0.000 1.500 157 R HN 0.391 nan 8.270 nan 0.000 0.493 158 Y N 0.196 120.525 120.300 0.049 0.000 2.567 158 Y HA 0.631 5.175 4.550 -0.009 0.000 0.333 158 Y C 0.975 176.934 175.900 0.097 0.000 1.106 158 Y CA -1.178 56.975 58.100 0.089 0.000 1.157 158 Y CB 0.562 39.110 38.460 0.146 0.000 1.277 158 Y HN 0.454 nan 8.280 nan 0.000 0.490 159 I N -0.613 120.106 120.570 0.249 0.000 3.654 159 I HA 1.047 5.211 4.170 -0.009 0.000 0.278 159 I C -0.379 175.695 176.117 -0.072 0.000 1.193 159 I CA -1.459 59.900 61.300 0.100 0.000 1.087 159 I CB 1.571 39.597 38.000 0.043 0.000 1.372 159 I HN 0.674 nan 8.210 nan 0.000 0.507 160 A N 0.662 123.352 122.820 -0.217 0.000 2.468 160 A HA 0.869 5.184 4.320 -0.009 0.000 0.270 160 A C -0.435 176.927 177.584 -0.370 0.000 1.217 160 A CA 0.027 51.727 52.037 -0.562 0.000 0.908 160 A CB 1.140 19.885 19.000 -0.425 0.000 1.423 160 A HN 1.232 nan 8.150 nan 0.000 0.459 161 S N -0.502 114.954 115.700 -0.405 0.000 2.908 161 S HA 0.250 4.714 4.470 -0.009 0.000 0.140 161 S C -0.710 173.681 174.600 -0.348 0.000 0.890 161 S CA -0.429 57.575 58.200 -0.327 0.000 0.995 161 S CB -1.412 61.662 63.200 -0.211 0.000 1.660 161 S HN 0.613 nan 8.310 nan 0.000 0.507 162 I N 2.540 122.901 120.570 -0.348 0.000 2.754 162 I HA 0.390 4.555 4.170 -0.009 0.000 0.285 162 I C 0.384 176.232 176.117 -0.447 0.000 1.166 162 I CA -0.103 61.021 61.300 -0.293 0.000 1.417 162 I CB 0.853 38.735 38.000 -0.197 0.000 1.382 162 I HN 0.720 nan 8.210 nan 0.000 0.588 163 I N 7.655 128.046 120.570 -0.297 0.000 2.654 163 I HA 0.351 4.516 4.170 -0.009 0.000 0.282 163 I C -2.886 173.186 176.117 -0.074 0.000 1.258 163 I CA -1.336 59.778 61.300 -0.310 0.000 1.088 163 I CB 1.994 39.703 38.000 -0.484 0.000 1.316 163 I HN 0.316 nan 8.210 nan 0.000 0.448 164 P HA 0.714 nan 4.420 nan 0.000 0.325 164 P C -1.768 175.563 177.300 0.053 0.000 1.298 164 P CA -0.770 62.346 63.100 0.026 0.000 0.771 164 P CB 1.294 33.013 31.700 0.032 0.000 1.389 165 L N -1.541 119.699 121.223 0.028 0.000 2.700 165 L HA 0.471 4.805 4.340 -0.009 0.000 0.255 165 L C -2.902 173.977 176.870 0.016 0.000 0.933 165 L CA -1.615 53.229 54.840 0.007 0.000 0.920 165 L CB 1.073 43.089 42.059 -0.072 0.000 1.472 165 L HN 0.192 nan 8.230 nan 0.000 0.426 166 P HA 0.042 nan 4.420 nan 0.000 0.269 166 P C 0.220 177.548 177.300 0.046 0.000 1.205 166 P CA -0.114 63.014 63.100 0.047 0.000 0.780 166 P CB 0.491 32.231 31.700 0.066 0.000 0.858 167 K N 1.851 122.270 120.400 0.032 0.000 2.034 167 K HA -0.198 4.117 4.320 -0.009 0.000 0.214 167 K C 0.595 177.226 176.600 0.053 0.000 1.051 167 K CA 1.590 57.899 56.287 0.037 0.000 0.931 167 K CB -0.352 32.154 32.500 0.009 0.000 0.715 167 K HN 0.182 nan 8.250 nan 0.000 0.446 168 R N 0.621 121.145 120.500 0.040 0.000 2.824 168 R HA 0.134 4.469 4.340 -0.009 0.000 0.240 168 R C -0.598 175.739 176.300 0.062 0.000 1.548 168 R CA 0.488 56.613 56.100 0.043 0.000 1.119 168 R CB -0.352 29.962 30.300 0.022 0.000 1.189 168 R HN 0.419 nan 8.270 nan 0.000 0.596 169 G N 2.791 111.649 108.800 0.097 0.000 2.715 169 G HA2 0.336 4.290 3.960 -0.009 0.000 0.297 169 G HA3 0.336 4.290 3.960 -0.009 0.000 0.297 169 G C -2.850 172.157 174.900 0.178 0.000 1.386 169 G CA -1.150 44.021 45.100 0.118 0.000 1.157 169 G HN 0.141 nan 8.290 nan 0.000 0.585 170 P HA -0.037 nan 4.420 nan 0.000 0.273 170 P C -0.532 176.949 177.300 0.302 0.000 1.193 170 P CA 0.274 63.526 63.100 0.253 0.000 0.777 170 P CB 0.497 32.357 31.700 0.266 0.000 0.803 171 W N 4.426 125.775 121.300 0.082 0.000 2.409 171 W HA 0.322 4.977 4.660 -0.009 0.000 0.285 171 W C -1.955 174.600 176.519 0.060 0.000 1.030 171 W CA -0.629 56.751 57.345 0.057 0.000 1.330 171 W CB 0.274 29.757 29.460 0.038 0.000 1.236 171 W HN 0.092 nan 8.180 nan 0.000 0.341 172 I N 2.768 123.386 120.570 0.081 0.000 2.385 172 I HA 0.347 4.512 4.170 -0.009 0.000 0.294 172 I C -0.068 176.034 176.117 -0.025 0.000 0.988 172 I CA -0.203 61.149 61.300 0.086 0.000 1.265 172 I CB 1.268 39.364 38.000 0.161 0.000 1.388 172 I HN 0.187 nan 8.210 nan 0.000 0.480 173 D N 5.421 125.831 120.400 0.017 0.000 2.505 173 D HA 0.611 5.245 4.640 -0.009 0.000 0.249 173 D C -1.170 175.107 176.300 -0.037 0.000 1.082 173 D CA -0.396 53.591 54.000 -0.021 0.000 0.839 173 D CB 1.157 41.986 40.800 0.048 0.000 1.317 173 D HN 0.464 nan 8.370 nan 0.000 0.497 174 L N 2.832 124.025 121.223 -0.051 0.000 2.343 174 L HA 0.662 4.997 4.340 -0.009 0.000 0.275 174 L C -0.099 176.771 176.870 -0.001 0.000 1.056 174 L CA -0.677 54.146 54.840 -0.028 0.000 0.804 174 L CB 1.526 43.589 42.059 0.005 0.000 1.203 174 L HN 0.501 nan 8.230 nan 0.000 0.440 175 E N 1.465 121.668 120.200 0.006 0.000 2.647 175 E HA 0.290 4.634 4.350 -0.009 0.000 0.320 175 E C -1.581 175.030 176.600 0.018 0.000 0.951 175 E CA -0.540 55.873 56.400 0.021 0.000 0.809 175 E CB 2.045 31.750 29.700 0.009 0.000 1.295 175 E HN 0.390 nan 8.360 nan 0.000 0.407 176 V N 1.417 121.350 119.914 0.032 0.000 2.439 176 V HA 0.644 4.758 4.120 -0.009 0.000 0.282 176 V C -0.138 175.956 176.094 -0.001 0.000 1.039 176 V CA -0.336 61.978 62.300 0.023 0.000 0.913 176 V CB 1.500 33.340 31.823 0.030 0.000 0.983 176 V HN 0.805 nan 8.190 nan 0.000 0.460 177 E N 4.560 124.760 120.200 -0.000 0.000 3.132 177 E HA 0.393 4.738 4.350 -0.009 0.000 0.241 177 E C -2.094 174.505 176.600 -0.002 0.000 1.196 177 E CA -1.681 54.716 56.400 -0.006 0.000 0.869 177 E CB 1.746 31.443 29.700 -0.005 0.000 1.387 177 E HN 0.622 nan 8.360 nan 0.000 0.393 178 P HA -0.293 nan 4.420 nan 0.000 0.228 178 P C 0.585 177.885 177.300 0.001 0.000 1.153 178 P CA 1.060 64.157 63.100 -0.004 0.000 0.897 178 P CB 0.096 31.785 31.700 -0.018 0.000 0.782 179 N N -1.089 117.611 118.700 -0.000 0.000 2.926 179 N HA 0.012 4.747 4.740 -0.009 0.000 0.284 179 N C 1.092 176.608 175.510 0.009 0.000 1.303 179 N CA 1.192 54.244 53.050 0.003 0.000 1.062 179 N CB -0.886 37.601 38.487 0.000 0.000 1.389 179 N HN 0.227 nan 8.380 nan 0.000 0.538 180 G N -1.164 107.644 108.800 0.014 0.000 2.253 180 G HA2 -0.223 3.732 3.960 -0.009 0.000 0.209 180 G HA3 -0.223 3.732 3.960 -0.009 0.000 0.209 180 G C -0.297 174.620 174.900 0.029 0.000 0.997 180 G CA 0.033 45.145 45.100 0.021 0.000 0.640 180 G HN 0.253 nan 8.290 nan 0.000 0.496 181 V N 1.289 121.216 119.914 0.023 0.000 2.588 181 V HA 0.753 4.868 4.120 -0.009 0.000 0.304 181 V C 0.407 176.509 176.094 0.013 0.000 1.042 181 V CA -0.801 61.512 62.300 0.022 0.000 0.877 181 V CB 1.927 33.761 31.823 0.019 0.000 0.996 181 V HN 0.346 nan 8.190 nan 0.000 0.425 182 V N 2.645 122.563 119.914 0.008 0.000 3.096 182 V HA 0.841 4.956 4.120 -0.009 0.000 0.319 182 V C 0.184 176.252 176.094 -0.044 0.000 1.082 182 V CA -0.487 61.810 62.300 -0.004 0.000 1.022 182 V CB 2.092 33.915 31.823 0.000 0.000 1.103 182 V HN 1.031 nan 8.190 nan 0.000 0.455 183 S N 2.271 117.932 115.700 -0.064 0.000 2.619 183 S HA 0.762 5.227 4.470 -0.009 0.000 0.280 183 S C -1.089 173.410 174.600 -0.168 0.000 1.150 183 S CA -0.623 57.510 58.200 -0.113 0.000 0.978 183 S CB 1.441 64.604 63.200 -0.061 0.000 1.041 183 S HN 0.806 nan 8.310 nan 0.000 0.485 184 M N 3.453 122.860 119.600 -0.322 0.000 2.267 184 M HA 0.497 4.972 4.480 -0.009 0.000 0.289 184 M C -2.055 173.987 176.300 -0.430 0.000 1.043 184 M CA -0.337 54.736 55.300 -0.377 0.000 0.928 184 M CB 1.839 34.116 32.600 -0.538 0.000 1.613 184 M HN 0.823 nan 8.290 nan 0.000 0.450 185 K N 4.164 124.461 120.400 -0.172 0.000 2.572 185 K HA 0.386 4.700 4.320 -0.009 0.000 0.244 185 K C 0.051 176.703 176.600 0.086 0.000 0.965 185 K CA -0.632 55.635 56.287 -0.034 0.000 0.943 185 K CB 2.185 34.701 32.500 0.027 0.000 1.154 185 K HN 0.465 nan 8.250 nan 0.000 0.447 186 V N 2.338 122.340 119.914 0.147 0.000 2.251 186 V HA -0.221 3.893 4.120 -0.009 0.000 0.233 186 V C 1.362 177.570 176.094 0.190 0.000 1.041 186 V CA 1.512 63.928 62.300 0.193 0.000 1.000 186 V CB -0.287 31.644 31.823 0.180 0.000 0.643 186 V HN 0.636 nan 8.190 nan 0.000 0.460 187 N N -0.598 118.196 118.700 0.156 0.000 2.141 187 N HA -0.005 4.729 4.740 -0.009 0.000 0.187 187 N C 1.469 177.040 175.510 0.101 0.000 1.068 187 N CA 1.037 54.156 53.050 0.115 0.000 0.906 187 N CB -0.132 38.403 38.487 0.080 0.000 1.069 187 N HN 0.195 nan 8.380 nan 0.000 0.461 188 K N 0.345 120.798 120.400 0.088 0.000 4.450 188 K HA 0.287 4.602 4.320 -0.009 0.000 0.247 188 K C -0.181 176.470 176.600 0.085 0.000 1.242 188 K CA -0.357 55.972 56.287 0.071 0.000 1.820 188 K CB -0.406 32.119 32.500 0.043 0.000 2.701 188 K HN -0.028 nan 8.250 nan 0.000 0.569 189 R N 2.699 123.245 120.500 0.077 0.000 2.503 189 R HA -0.131 4.204 4.340 -0.009 0.000 0.271 189 R C -0.550 175.834 176.300 0.140 0.000 0.960 189 R CA 1.069 57.221 56.100 0.086 0.000 1.104 189 R CB 0.024 30.367 30.300 0.072 0.000 0.879 189 R HN 0.189 nan 8.270 nan 0.000 0.420 190 K N 4.303 124.751 120.400 0.080 0.000 2.218 190 K HA 0.322 4.636 4.320 -0.009 0.000 0.276 190 K C -0.623 176.043 176.600 0.110 0.000 1.022 190 K CA -0.173 56.122 56.287 0.013 0.000 0.946 190 K CB 0.641 33.118 32.500 -0.037 0.000 1.000 190 K HN 0.477 nan 8.250 nan 0.000 0.468 191 F N -0.826 119.088 119.950 -0.059 0.000 2.613 191 F HA 0.490 5.011 4.527 -0.009 0.000 0.310 191 F C -2.919 172.837 175.800 -0.073 0.000 1.085 191 F CA -3.636 54.318 58.000 -0.078 0.000 0.945 191 F CB 0.226 39.156 39.000 -0.116 0.000 1.298 191 F HN 0.286 nan 8.300 nan 0.000 0.455 192 P HA -0.080 nan 4.420 nan 0.000 0.264 192 P C 0.733 177.974 177.300 -0.098 0.000 1.173 192 P CA -0.057 63.041 63.100 -0.004 0.000 0.761 192 P CB 0.588 32.340 31.700 0.087 0.000 0.794 193 L N 4.922 126.063 121.223 -0.136 0.000 2.095 193 L HA -0.095 4.240 4.340 -0.009 0.000 0.204 193 L C 1.843 178.652 176.870 -0.100 0.000 1.080 193 L CA 1.875 56.607 54.840 -0.180 0.000 0.759 193 L CB -1.004 40.973 42.059 -0.137 0.000 0.914 193 L HN 0.127 nan 8.230 nan 0.000 0.439 194 V N 0.357 120.246 119.914 -0.041 0.000 2.392 194 V HA -0.271 3.844 4.120 -0.009 0.000 0.249 194 V C 2.654 178.764 176.094 0.028 0.000 1.059 194 V CA 1.411 63.708 62.300 -0.004 0.000 1.051 194 V CB -0.962 30.874 31.823 0.022 0.000 0.658 194 V HN 0.443 nan 8.190 nan 0.000 0.455 195 L N -0.019 121.234 121.223 0.050 0.000 2.187 195 L HA -0.157 4.178 4.340 -0.009 0.000 0.213 195 L C 2.080 178.974 176.870 0.040 0.000 1.100 195 L CA 1.952 56.835 54.840 0.072 0.000 0.765 195 L CB -0.491 41.631 42.059 0.105 0.000 0.904 195 L HN 0.385 nan 8.230 nan 0.000 0.437 196 L N -1.835 119.391 121.223 0.006 0.000 2.130 196 L HA -0.022 4.312 4.340 -0.009 0.000 0.200 196 L C 2.286 179.136 176.870 -0.033 0.000 1.075 196 L CA 1.002 55.801 54.840 -0.068 0.000 0.768 196 L CB -0.273 41.635 42.059 -0.251 0.000 0.933 196 L HN 0.192 nan 8.230 nan 0.000 0.451 197 L N 0.025 121.239 121.223 -0.015 0.000 2.127 197 L HA -0.188 4.146 4.340 -0.009 0.000 0.211 197 L C 2.851 179.810 176.870 0.149 0.000 1.089 197 L CA 0.745 55.641 54.840 0.092 0.000 0.757 197 L CB -0.599 41.489 42.059 0.048 0.000 0.899 197 L HN 0.340 nan 8.230 nan 0.000 0.434 198 R N -0.014 120.542 120.500 0.094 0.000 2.062 198 R HA -0.079 4.256 4.340 -0.009 0.000 0.229 198 R C 2.205 178.552 176.300 0.079 0.000 1.128 198 R CA 1.118 57.274 56.100 0.093 0.000 0.960 198 R CB -0.699 29.648 30.300 0.077 0.000 0.855 198 R HN 0.165 nan 8.270 nan 0.000 0.432 199 V N 1.815 121.763 119.914 0.056 0.000 2.317 199 V HA -0.295 3.820 4.120 -0.009 0.000 0.251 199 V C 2.439 178.581 176.094 0.081 0.000 1.065 199 V CA 1.864 64.188 62.300 0.040 0.000 1.049 199 V CB -0.460 31.358 31.823 -0.008 0.000 0.651 199 V HN 0.235 nan 8.190 nan 0.000 0.450 200 L N -0.437 120.860 121.223 0.123 0.000 2.072 200 L HA 0.151 4.486 4.340 -0.009 0.000 0.205 200 L C 1.958 178.905 176.870 0.128 0.000 1.079 200 L CA 1.596 56.546 54.840 0.183 0.000 0.752 200 L CB -0.502 41.710 42.059 0.256 0.000 0.906 200 L HN 0.526 nan 8.230 nan 0.000 0.436 201 G N -3.083 105.780 108.800 0.105 0.000 2.613 201 G HA2 -0.218 3.736 3.960 -0.009 0.000 0.199 201 G HA3 -0.218 3.736 3.960 -0.009 0.000 0.199 201 G C -0.160 174.747 174.900 0.013 0.000 0.991 201 G CA -0.694 44.428 45.100 0.036 0.000 0.756 201 G HN 0.072 nan 8.290 nan 0.000 0.515 202 Y N 3.949 124.275 120.300 0.044 0.000 2.517 202 Y HA 0.339 4.884 4.550 -0.009 0.000 0.341 202 Y C 1.029 176.938 175.900 0.015 0.000 1.247 202 Y CA -0.342 57.774 58.100 0.027 0.000 1.774 202 Y CB -0.593 37.881 38.460 0.024 0.000 1.641 202 Y HN 0.452 nan 8.280 nan 0.000 0.457 203 D N -0.764 119.715 120.400 0.132 0.000 2.419 203 D HA -0.080 4.554 4.640 -0.009 0.000 0.236 203 D C 1.061 177.417 176.300 0.092 0.000 1.165 203 D CA -0.160 53.895 54.000 0.091 0.000 0.882 203 D CB 0.762 41.592 40.800 0.051 0.000 1.201 203 D HN 0.474 nan 8.370 nan 0.000 0.443 204 Q N 0.034 119.869 119.800 0.060 0.000 2.077 204 Q HA -0.305 4.029 4.340 -0.009 0.000 0.206 204 Q C 1.936 177.955 176.000 0.033 0.000 0.989 204 Q CA 2.076 57.902 55.803 0.039 0.000 0.853 204 Q CB -0.124 28.631 28.738 0.028 0.000 0.907 204 Q HN 0.826 nan 8.270 nan 0.000 0.418 205 E N -0.960 119.260 120.200 0.033 0.000 2.118 205 E HA -0.196 4.149 4.350 -0.009 0.000 0.195 205 E C 1.775 178.396 176.600 0.035 0.000 0.992 205 E CA 1.771 58.187 56.400 0.027 0.000 0.804 205 E CB -0.354 29.360 29.700 0.023 0.000 0.741 205 E HN 0.080 nan 8.360 nan 0.000 0.458 206 T N -0.673 113.916 114.554 0.059 0.000 3.054 206 T HA 0.145 4.489 4.350 -0.009 0.000 0.259 206 T C 1.541 176.307 174.700 0.110 0.000 1.092 206 T CA 0.180 62.331 62.100 0.085 0.000 1.121 206 T CB -0.093 68.832 68.868 0.095 0.000 0.912 206 T HN 0.223 nan 8.240 nan 0.000 0.489 207 L N 0.530 121.812 121.223 0.098 0.000 2.068 207 L HA 0.197 4.531 4.340 -0.009 0.000 0.204 207 L C 2.811 179.640 176.870 -0.068 0.000 1.076 207 L CA 1.253 56.105 54.840 0.020 0.000 0.753 207 L CB -0.517 41.551 42.059 0.016 0.000 0.910 207 L HN 0.290 nan 8.230 nan 0.000 0.439 208 A N -0.286 122.511 122.820 -0.040 0.000 2.070 208 A HA -0.202 4.113 4.320 -0.009 0.000 0.220 208 A C 2.079 179.624 177.584 -0.065 0.000 1.159 208 A CA 1.573 53.577 52.037 -0.054 0.000 0.656 208 A CB -0.299 18.690 19.000 -0.018 0.000 0.800 208 A HN 0.399 nan 8.150 nan 0.000 0.453 209 R N -1.092 119.380 120.500 -0.046 0.000 2.140 209 R HA 0.178 4.512 4.340 -0.009 0.000 0.200 209 R C 1.613 177.880 176.300 -0.055 0.000 1.069 209 R CA 0.764 56.839 56.100 -0.041 0.000 1.088 209 R CB -0.200 30.098 30.300 -0.004 0.000 1.012 209 R HN 0.340 nan 8.270 nan 0.000 0.500 210 E N 0.428 120.612 120.200 -0.026 0.000 2.482 210 E HA -0.043 4.301 4.350 -0.009 0.000 0.196 210 E C 1.133 177.691 176.600 -0.070 0.000 1.047 210 E CA 0.624 57.022 56.400 -0.003 0.000 0.869 210 E CB 0.389 30.126 29.700 0.061 0.000 0.836 210 E HN 0.158 nan 8.360 nan 0.000 0.520 211 L N -1.878 119.231 121.223 -0.191 0.000 2.694 211 L HA 0.308 4.642 4.340 -0.009 0.000 0.228 211 L C 1.377 177.907 176.870 -0.566 0.000 1.048 211 L CA 0.792 55.441 54.840 -0.318 0.000 0.887 211 L CB 0.812 42.658 42.059 -0.355 0.000 1.265 211 L HN -0.010 nan 8.230 nan 0.000 0.492 212 G N -1.234 107.280 108.800 -0.478 0.000 4.379 212 G HA2 0.406 4.361 3.960 -0.009 0.000 0.290 212 G HA3 0.406 4.361 3.960 -0.009 0.000 0.290 212 G C 0.859 175.605 174.900 -0.256 0.000 1.065 212 G CA 0.414 45.261 45.100 -0.423 0.000 0.833 212 G HN 0.353 nan 8.290 nan 0.000 0.512 213 A N 0.730 123.382 122.820 -0.281 0.000 1.898 213 A HA 0.034 4.348 4.320 -0.009 0.000 0.216 213 A C 1.888 179.463 177.584 -0.015 0.000 1.181 213 A CA 1.525 53.511 52.037 -0.085 0.000 0.620 213 A CB -0.538 18.450 19.000 -0.020 0.000 0.819 213 A HN 0.796 nan 8.150 nan 0.000 0.442 214 Y N -0.998 119.337 120.300 0.059 0.000 2.462 214 Y HA 0.496 5.040 4.550 -0.009 0.000 0.293 214 Y C 0.784 176.738 175.900 0.090 0.000 1.195 214 Y CA -0.979 57.152 58.100 0.052 0.000 1.276 214 Y CB -0.881 37.599 38.460 0.033 0.000 1.082 214 Y HN 0.086 nan 8.280 nan 0.000 0.514 215 G N 2.193 110.982 108.800 -0.018 0.000 2.716 215 G HA2 0.188 4.142 3.960 -0.009 0.000 0.333 215 G HA3 0.188 4.142 3.960 -0.009 0.000 0.333 215 G C 0.597 175.573 174.900 0.127 0.000 1.168 215 G CA -0.390 44.815 45.100 0.175 0.000 1.064 215 G HN 0.496 nan 8.290 nan 0.000 0.479 216 E N 2.578 122.800 120.200 0.036 0.000 2.331 216 E HA -0.155 4.189 4.350 -0.009 0.000 0.199 216 E C 1.010 177.595 176.600 -0.024 0.000 1.008 216 E CA 0.687 57.088 56.400 0.002 0.000 0.843 216 E CB -0.077 29.608 29.700 -0.025 0.000 0.761 216 E HN 0.585 nan 8.360 nan 0.000 0.507 217 L N 1.203 122.355 121.223 -0.118 0.000 2.611 217 L HA 0.115 4.449 4.340 -0.009 0.000 0.229 217 L C 2.068 179.106 176.870 0.279 0.000 1.137 217 L CA -0.260 54.478 54.840 -0.170 0.000 0.901 217 L CB 0.427 42.011 42.059 -0.790 0.000 1.098 217 L HN -0.013 nan 8.230 nan 0.000 0.456 218 V N 0.169 120.331 119.914 0.413 0.000 3.444 218 V HA -0.169 3.945 4.120 -0.009 0.000 0.271 218 V C 2.004 178.177 176.094 0.133 0.000 1.188 218 V CA 1.366 63.841 62.300 0.292 0.000 1.168 218 V CB -0.153 31.736 31.823 0.110 0.000 0.810 218 V HN 0.597 nan 8.190 nan 0.000 0.500 219 Q N -0.293 119.573 119.800 0.110 0.000 2.212 219 Q HA 0.043 4.377 4.340 -0.009 0.000 0.199 219 Q C 2.165 178.201 176.000 0.060 0.000 0.950 219 Q CA 1.112 56.951 55.803 0.060 0.000 0.863 219 Q CB -0.286 28.474 28.738 0.037 0.000 0.944 219 Q HN 0.665 nan 8.270 nan 0.000 0.465 220 G N 0.880 109.730 108.800 0.084 0.000 2.679 220 G HA2 -0.143 3.812 3.960 -0.009 0.000 0.212 220 G HA3 -0.143 3.812 3.960 -0.009 0.000 0.212 220 G C 1.206 176.151 174.900 0.074 0.000 1.137 220 G CA 0.110 45.252 45.100 0.072 0.000 0.787 220 G HN 0.230 nan 8.290 nan 0.000 0.534 221 L N -0.842 120.429 121.223 0.080 0.000 2.591 221 L HA 0.446 4.781 4.340 -0.009 0.000 0.228 221 L C 2.204 179.089 176.870 0.026 0.000 1.133 221 L CA 0.817 55.680 54.840 0.038 0.000 0.880 221 L CB 0.010 42.066 42.059 -0.004 0.000 1.033 221 L HN 0.173 nan 8.230 nan 0.000 0.450 222 M N -2.269 117.350 119.600 0.031 0.000 2.740 222 M HA 0.090 4.564 4.480 -0.009 0.000 0.253 222 M C 1.116 177.430 176.300 0.023 0.000 1.341 222 M CA 0.035 55.349 55.300 0.024 0.000 1.176 222 M CB 0.008 32.619 32.600 0.017 0.000 1.310 222 M HN 0.014 nan 8.290 nan 0.000 0.531 223 D N 1.661 122.076 120.400 0.026 0.000 2.254 223 D HA -0.232 4.403 4.640 -0.009 0.000 0.538 223 D C 0.608 176.916 176.300 0.013 0.000 0.934 223 D CA 1.542 55.555 54.000 0.021 0.000 1.525 223 D CB -0.525 40.294 40.800 0.031 0.000 1.102 223 D HN 0.179 nan 8.370 nan 0.000 0.411 224 E N 0.693 120.914 120.200 0.035 0.000 1.954 224 E HA 0.030 4.375 4.350 -0.009 0.000 0.272 224 E C 0.669 177.259 176.600 -0.018 0.000 1.170 224 E CA 0.073 56.483 56.400 0.018 0.000 1.101 224 E CB -0.495 29.285 29.700 0.134 0.000 1.076 224 E HN 0.323 nan 8.360 nan 0.000 0.449 225 S N -0.048 115.618 115.700 -0.058 0.000 2.607 225 S HA -0.065 4.399 4.470 -0.009 0.000 0.224 225 S C 1.662 176.187 174.600 -0.124 0.000 0.969 225 S CA 0.270 58.435 58.200 -0.058 0.000 0.927 225 S CB 0.143 63.318 63.200 -0.041 0.000 0.772 225 S HN 0.303 nan 8.310 nan 0.000 0.533 226 V N 1.651 121.397 119.914 -0.280 0.000 2.221 226 V HA -0.077 4.038 4.120 -0.009 0.000 0.242 226 V C 1.842 177.729 176.094 -0.345 0.000 1.041 226 V CA 1.719 63.761 62.300 -0.430 0.000 0.995 226 V CB -0.835 30.508 31.823 -0.800 0.000 0.635 226 V HN 0.535 nan 8.190 nan 0.000 0.448 227 F N 1.500 121.456 119.950 0.010 0.000 2.365 227 F HA 0.181 4.703 4.527 -0.009 0.000 0.300 227 F C 2.297 178.104 175.800 0.012 0.000 1.090 227 F CA 0.879 58.885 58.000 0.010 0.000 1.408 227 F CB -0.988 38.019 39.000 0.012 0.000 1.060 227 F HN 0.256 nan 8.300 nan 0.000 0.534 228 A N 0.031 122.935 122.820 0.139 0.000 2.247 228 A HA 0.077 4.392 4.320 -0.009 0.000 0.205 228 A C 1.350 178.968 177.584 0.057 0.000 1.261 228 A CA 0.675 52.770 52.037 0.096 0.000 0.853 228 A CB -1.012 18.029 19.000 0.068 0.000 0.793 228 A HN 0.487 nan 8.150 nan 0.000 0.487 229 M N 0.681 120.311 119.600 0.050 0.000 2.809 229 M HA 0.196 4.671 4.480 -0.009 0.000 0.388 229 M C -0.306 176.017 176.300 0.038 0.000 1.248 229 M CA -0.031 55.288 55.300 0.030 0.000 0.885 229 M CB 0.654 33.256 32.600 0.005 0.000 1.386 229 M HN 0.384 nan 8.290 nan 0.000 0.509 230 R N -1.317 119.218 120.500 0.057 0.000 2.585 230 R HA 0.474 4.808 4.340 -0.009 0.000 0.288 230 R C -3.328 173.003 176.300 0.053 0.000 1.194 230 R CA -1.252 54.880 56.100 0.052 0.000 1.006 230 R CB 0.373 30.709 30.300 0.060 0.000 1.229 230 R HN -0.111 nan 8.270 nan 0.000 0.412 231 P HA -0.144 nan 4.420 nan 0.000 0.207 231 P C 0.881 178.201 177.300 0.035 0.000 1.072 231 P CA 0.506 63.629 63.100 0.039 0.000 0.798 231 P CB 0.151 31.870 31.700 0.033 0.000 0.570 232 E N -0.490 119.727 120.200 0.029 0.000 2.448 232 E HA -0.255 4.090 4.350 -0.009 0.000 0.203 232 E C 1.715 178.320 176.600 0.010 0.000 1.046 232 E CA 0.609 57.022 56.400 0.022 0.000 0.871 232 E CB -0.099 29.613 29.700 0.019 0.000 0.790 232 E HN 0.155 nan 8.360 nan 0.000 0.545 233 E N -0.050 120.160 120.200 0.015 0.000 2.170 233 E HA -0.034 4.310 4.350 -0.009 0.000 0.191 233 E C 1.723 178.328 176.600 0.009 0.000 0.981 233 E CA 0.824 57.230 56.400 0.010 0.000 0.830 233 E CB 0.023 29.738 29.700 0.025 0.000 0.775 233 E HN 0.302 nan 8.360 nan 0.000 0.470 234 A N 1.455 124.288 122.820 0.021 0.000 2.019 234 A HA -0.094 4.220 4.320 -0.009 0.000 0.219 234 A C 2.298 179.870 177.584 -0.020 0.000 1.164 234 A CA 0.894 52.935 52.037 0.007 0.000 0.644 234 A CB -0.607 18.413 19.000 0.033 0.000 0.805 234 A HN 0.363 nan 8.150 nan 0.000 0.449 235 L N -0.694 120.528 121.223 -0.002 0.000 2.141 235 L HA -0.091 4.243 4.340 -0.009 0.000 0.209 235 L C 2.135 179.056 176.870 0.086 0.000 1.094 235 L CA 1.322 56.168 54.840 0.010 0.000 0.763 235 L CB -0.175 41.890 42.059 0.009 0.000 0.908 235 L HN 0.444 nan 8.230 nan 0.000 0.437 236 I N -1.056 119.534 120.570 0.033 0.000 2.339 236 I HA -0.174 3.990 4.170 -0.009 0.000 0.245 236 I C 2.609 178.733 176.117 0.011 0.000 1.096 236 I CA 0.330 61.633 61.300 0.006 0.000 1.408 236 I CB -0.292 37.664 38.000 -0.073 0.000 1.092 236 I HN 0.142 nan 8.210 nan 0.000 0.423 237 R N 1.570 122.045 120.500 -0.041 0.000 2.094 237 R HA -0.173 4.161 4.340 -0.009 0.000 0.239 237 R C 2.227 178.436 176.300 -0.152 0.000 1.137 237 R CA 1.825 57.860 56.100 -0.108 0.000 0.943 237 R CB -0.794 29.417 30.300 -0.149 0.000 0.850 237 R HN 0.305 nan 8.270 nan 0.000 0.433 238 L N -0.843 120.278 121.223 -0.169 0.000 2.109 238 L HA -0.081 4.253 4.340 -0.009 0.000 0.207 238 L C 1.952 178.674 176.870 -0.247 0.000 1.086 238 L CA 0.956 55.614 54.840 -0.303 0.000 0.760 238 L CB -0.329 41.509 42.059 -0.369 0.000 0.910 238 L HN 0.216 nan 8.230 nan 0.000 0.437 239 F N 0.601 120.403 119.950 -0.247 0.000 2.120 239 F HA -0.298 4.223 4.527 -0.009 0.000 0.300 239 F C 2.389 178.089 175.800 -0.165 0.000 1.095 239 F CA 2.244 60.133 58.000 -0.186 0.000 1.249 239 F CB -0.533 38.389 39.000 -0.130 0.000 0.995 239 F HN 0.030 nan 8.300 nan 0.000 0.480 240 T N 0.406 115.031 114.554 0.119 0.000 2.951 240 T HA -0.059 4.285 4.350 -0.009 0.000 0.268 240 T C 1.934 176.599 174.700 -0.059 0.000 1.073 240 T CA 0.772 62.890 62.100 0.030 0.000 1.134 240 T CB -0.357 68.499 68.868 -0.021 0.000 0.884 240 T HN 0.184 nan 8.240 nan 0.000 0.479 241 L N 0.546 121.680 121.223 -0.149 0.000 2.675 241 L HA 0.128 4.462 4.340 -0.009 0.000 0.238 241 L C 0.033 176.778 176.870 -0.209 0.000 1.155 241 L CA 0.086 54.801 54.840 -0.207 0.000 0.881 241 L CB -0.331 41.536 42.059 -0.319 0.000 1.008 241 L HN 0.171 nan 8.230 nan 0.000 0.443 242 L N -0.806 120.316 121.223 -0.169 0.000 2.299 242 L HA 0.538 4.872 4.340 -0.009 0.000 0.268 242 L C -0.158 176.676 176.870 -0.060 0.000 1.012 242 L CA -0.503 54.254 54.840 -0.138 0.000 0.816 242 L CB 1.460 43.409 42.059 -0.183 0.000 1.355 242 L HN 0.035 nan 8.230 nan 0.000 0.457 243 R N -0.177 120.302 120.500 -0.035 0.000 2.522 243 R HA 0.821 5.156 4.340 -0.009 0.000 0.283 243 R C -2.748 173.554 176.300 0.004 0.000 1.074 243 R CA -0.753 55.341 56.100 -0.010 0.000 0.925 243 R CB 0.601 30.895 30.300 -0.011 0.000 1.205 243 R HN 0.488 nan 8.270 nan 0.000 0.436 244 P HA 0.468 nan 4.420 nan 0.000 0.533 244 P C -0.279 177.033 177.300 0.020 0.000 0.606 244 P CA 0.796 63.908 63.100 0.021 0.000 2.501 244 P CB 0.482 32.203 31.700 0.034 0.000 1.139 245 G N 0.321 109.137 108.800 0.027 0.000 4.495 245 G HA2 0.072 4.027 3.960 -0.009 0.000 0.223 245 G HA3 0.072 4.027 3.960 -0.009 0.000 0.223 245 G C -0.891 174.022 174.900 0.022 0.000 0.843 245 G CA -0.426 44.685 45.100 0.019 0.000 1.235 245 G HN 0.265 nan 8.290 nan 0.000 0.745 246 D N 1.274 121.697 120.400 0.039 0.000 2.339 246 D HA 0.404 5.039 4.640 -0.009 0.000 0.245 246 D C -2.014 174.285 176.300 -0.002 0.000 1.115 246 D CA -0.587 53.436 54.000 0.038 0.000 0.917 246 D CB 1.209 42.066 40.800 0.095 0.000 1.192 246 D HN 0.022 nan 8.370 nan 0.000 0.428 247 P HA 0.177 nan 4.420 nan 0.000 0.271 247 P C -2.143 175.065 177.300 -0.153 0.000 1.216 247 P CA -0.850 62.209 63.100 -0.069 0.000 0.771 247 P CB 0.081 31.747 31.700 -0.056 0.000 0.864 248 P HA 0.046 nan 4.420 nan 0.000 0.259 248 P C -0.434 176.702 177.300 -0.273 0.000 1.480 248 P CA 0.424 63.378 63.100 -0.243 0.000 0.842 248 P CB -0.205 31.408 31.700 -0.145 0.000 1.513 249 K N -0.478 119.772 120.400 -0.250 0.000 3.022 249 K HA 0.409 4.724 4.320 -0.009 0.000 0.178 249 K C -0.300 176.187 176.600 -0.189 0.000 1.089 249 K CA -0.594 55.575 56.287 -0.195 0.000 0.916 249 K CB 0.838 33.272 32.500 -0.110 0.000 1.159 249 K HN -0.166 nan 8.250 nan 0.000 0.592 250 R N 1.853 122.178 120.500 -0.293 0.000 2.412 250 R HA 0.147 4.481 4.340 -0.009 0.000 0.304 250 R C -0.170 176.058 176.300 -0.121 0.000 1.066 250 R CA -0.410 55.589 56.100 -0.168 0.000 0.923 250 R CB 0.901 31.124 30.300 -0.128 0.000 1.156 250 R HN 0.453 nan 8.270 nan 0.000 0.513 251 D N 2.372 122.740 120.400 -0.054 0.000 1.922 251 D HA -0.175 4.459 4.640 -0.009 0.000 0.271 251 D C 0.250 176.541 176.300 -0.014 0.000 1.182 251 D CA 1.484 55.471 54.000 -0.022 0.000 1.033 251 D CB 0.399 41.206 40.800 0.011 0.000 1.642 251 D HN 0.350 nan 8.370 nan 0.000 0.576 252 K N 1.089 121.471 120.400 -0.030 0.000 2.627 252 K HA 0.284 4.598 4.320 -0.009 0.000 0.212 252 K C 0.960 177.243 176.600 -0.529 0.000 1.041 252 K CA -0.438 55.750 56.287 -0.165 0.000 1.205 252 K CB 0.609 33.062 32.500 -0.078 0.000 0.936 252 K HN 0.124 nan 8.250 nan 0.000 0.489 253 A N 0.980 123.705 122.820 -0.159 0.000 2.279 253 A HA -0.138 4.176 4.320 -0.009 0.000 0.190 253 A C 1.949 179.536 177.584 0.005 0.000 1.210 253 A CA 1.205 53.235 52.037 -0.011 0.000 0.768 253 A CB -0.964 18.130 19.000 0.156 0.000 0.887 253 A HN 0.180 nan 8.150 nan 0.000 0.530 254 V N -0.101 119.869 119.914 0.095 0.000 2.913 254 V HA -0.047 4.067 4.120 -0.009 0.000 0.260 254 V C 2.652 178.691 176.094 -0.090 0.000 1.098 254 V CA 1.980 64.271 62.300 -0.016 0.000 1.121 254 V CB -0.896 30.881 31.823 -0.076 0.000 0.714 254 V HN 0.704 nan 8.190 nan 0.000 0.487 255 A N -1.083 121.700 122.820 -0.062 0.000 2.019 255 A HA -0.201 4.114 4.320 -0.009 0.000 0.219 255 A C 1.916 179.605 177.584 0.175 0.000 1.164 255 A CA 1.794 53.763 52.037 -0.114 0.000 0.644 255 A CB -0.687 17.740 19.000 -0.956 0.000 0.805 255 A HN 0.636 nan 8.150 nan 0.000 0.449 256 Y N 0.138 120.599 120.300 0.267 0.000 2.081 256 Y HA -0.238 4.307 4.550 -0.009 0.000 0.280 256 Y C 2.652 178.568 175.900 0.026 0.000 1.163 256 Y CA 1.077 59.347 58.100 0.283 0.000 1.135 256 Y CB -1.247 37.289 38.460 0.127 0.000 0.970 256 Y HN 0.092 nan 8.280 nan 0.000 0.498 257 V N -0.782 119.083 119.914 -0.083 0.000 2.277 257 V HA -0.350 3.764 4.120 -0.009 0.000 0.255 257 V C 1.089 176.977 176.094 -0.342 0.000 1.074 257 V CA 2.102 64.171 62.300 -0.385 0.000 1.058 257 V CB -1.269 30.054 31.823 -0.832 0.000 0.656 257 V HN 0.484 nan 8.190 nan 0.000 0.449 258 Y N 0.484 120.888 120.300 0.173 0.000 2.976 258 Y HA 0.552 5.097 4.550 -0.009 0.000 0.389 258 Y C 1.166 177.214 175.900 0.247 0.000 1.072 258 Y CA 0.155 58.361 58.100 0.178 0.000 1.809 258 Y CB -0.444 38.127 38.460 0.186 0.000 1.736 258 Y HN 0.162 nan 8.280 nan 0.000 0.471 259 G N -0.903 108.049 108.800 0.253 0.000 2.574 259 G HA2 0.138 4.092 3.960 -0.009 0.000 0.158 259 G HA3 0.138 4.092 3.960 -0.009 0.000 0.158 259 G C -0.017 174.953 174.900 0.118 0.000 1.494 259 G CA 0.167 45.419 45.100 0.254 0.000 0.742 259 G HN 0.230 nan 8.290 nan 0.000 0.718 260 L N 0.329 121.591 121.223 0.065 0.000 3.277 260 L HA 0.548 4.882 4.340 -0.009 0.000 0.178 260 L C 2.456 179.307 176.870 -0.031 0.000 1.384 260 L CA 0.321 55.159 54.840 -0.003 0.000 1.254 260 L CB -0.854 41.166 42.059 -0.065 0.000 1.593 260 L HN 0.321 nan 8.230 nan 0.000 0.748 261 I N 0.675 121.193 120.570 -0.087 0.000 2.576 261 I HA -0.464 3.701 4.170 -0.009 0.000 0.221 261 I C 2.170 178.255 176.117 -0.053 0.000 0.924 261 I CA 2.443 63.688 61.300 -0.092 0.000 1.228 261 I CB -0.922 36.994 38.000 -0.140 0.000 0.939 261 I HN 0.583 nan 8.210 nan 0.000 0.375 262 A N -0.901 121.892 122.820 -0.045 0.000 1.988 262 A HA 0.017 4.331 4.320 -0.009 0.000 0.201 262 A C 1.732 179.316 177.584 -0.001 0.000 1.410 262 A CA 0.812 52.833 52.037 -0.027 0.000 0.832 262 A CB -0.449 18.528 19.000 -0.038 0.000 0.981 262 A HN 0.407 nan 8.150 nan 0.000 0.492 263 D N 0.735 121.134 120.400 -0.001 0.000 2.085 263 D HA -0.041 4.593 4.640 -0.009 0.000 0.199 263 D C -0.789 175.542 176.300 0.053 0.000 0.981 263 D CA 1.712 55.729 54.000 0.028 0.000 0.834 263 D CB -1.047 39.765 40.800 0.021 0.000 0.992 263 D HN 0.330 nan 8.370 nan 0.000 0.457 264 P HA -0.091 nan 4.420 nan 0.000 0.214 264 P C 0.134 177.460 177.300 0.043 0.000 1.162 264 P CA 0.495 63.626 63.100 0.051 0.000 0.871 264 P CB 0.016 31.747 31.700 0.051 0.000 0.783 265 R N 1.222 121.748 120.500 0.042 0.000 2.478 265 R HA -0.146 4.188 4.340 -0.009 0.000 0.277 265 R C -0.644 175.703 176.300 0.078 0.000 0.913 265 R CA 0.830 56.962 56.100 0.053 0.000 1.125 265 R CB 0.098 30.426 30.300 0.048 0.000 0.863 265 R HN 0.005 nan 8.270 nan 0.000 0.426 266 R N 4.704 125.254 120.500 0.082 0.000 2.295 266 R HA 0.165 4.500 4.340 -0.009 0.000 0.324 266 R C 0.459 176.871 176.300 0.187 0.000 0.968 266 R CA -0.450 55.703 56.100 0.088 0.000 0.837 266 R CB 0.513 30.840 30.300 0.044 0.000 1.133 266 R HN 0.679 nan 8.270 nan 0.000 0.450 267 Y N 0.507 120.816 120.300 0.014 0.000 2.212 267 Y HA -0.493 4.052 4.550 -0.009 0.000 0.188 267 Y C 0.587 176.490 175.900 0.004 0.000 1.270 267 Y CA 1.432 59.534 58.100 0.003 0.000 0.872 267 Y CB -0.168 38.294 38.460 0.003 0.000 0.674 267 Y HN 0.534 nan 8.280 nan 0.000 0.578 268 D N -1.401 119.120 120.400 0.200 0.000 2.714 268 D HA 0.466 5.101 4.640 -0.009 0.000 0.278 268 D C -0.750 175.601 176.300 0.086 0.000 1.102 268 D CA -0.602 53.463 54.000 0.108 0.000 1.108 268 D CB 1.379 42.233 40.800 0.089 0.000 1.444 268 D HN -0.030 nan 8.370 nan 0.000 0.568 269 L N 0.034 121.296 121.223 0.064 0.000 2.399 269 L HA 0.426 4.760 4.340 -0.009 0.000 0.266 269 L C 1.651 178.556 176.870 0.059 0.000 1.114 269 L CA 0.137 55.011 54.840 0.057 0.000 0.804 269 L CB 0.914 43.000 42.059 0.045 0.000 1.146 269 L HN 0.842 nan 8.230 nan 0.000 0.451 270 G N 0.982 109.817 108.800 0.059 0.000 2.900 270 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.223 270 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.223 270 G C 0.583 175.528 174.900 0.075 0.000 1.293 270 G CA 0.046 45.182 45.100 0.060 0.000 0.792 270 G HN 0.597 nan 8.290 nan 0.000 0.527 271 E N 0.552 120.800 120.200 0.080 0.000 3.428 271 E HA 0.612 4.957 4.350 -0.009 0.000 0.191 271 E C 1.127 177.799 176.600 0.120 0.000 0.980 271 E CA 0.675 57.131 56.400 0.093 0.000 1.305 271 E CB 0.683 30.413 29.700 0.050 0.000 1.105 271 E HN 0.673 nan 8.360 nan 0.000 0.455 272 A N -0.165 122.727 122.820 0.121 0.000 2.134 272 A HA 0.448 4.763 4.320 -0.009 0.000 0.223 272 A C 1.751 179.413 177.584 0.129 0.000 1.738 272 A CA 1.062 53.166 52.037 0.111 0.000 0.722 272 A CB -0.413 18.648 19.000 0.103 0.000 1.346 272 A HN 0.231 nan 8.150 nan 0.000 0.557 273 G N -1.521 107.339 108.800 0.100 0.000 2.848 273 G HA2 0.108 4.063 3.960 -0.009 0.000 0.213 273 G HA3 0.108 4.063 3.960 -0.009 0.000 0.213 273 G C 1.479 176.412 174.900 0.055 0.000 1.101 273 G CA 0.627 45.775 45.100 0.081 0.000 0.778 273 G HN 0.376 nan 8.290 nan 0.000 0.536 274 R N -0.410 120.129 120.500 0.065 0.000 2.092 274 R HA -0.104 4.230 4.340 -0.009 0.000 0.231 274 R C 2.063 178.382 176.300 0.031 0.000 1.119 274 R CA 1.234 57.353 56.100 0.032 0.000 0.970 274 R CB -0.433 29.893 30.300 0.044 0.000 0.864 274 R HN 0.361 nan 8.270 nan 0.000 0.440 275 Y N 2.018 122.312 120.300 -0.010 0.000 2.053 275 Y HA -0.323 4.222 4.550 -0.009 0.000 0.277 275 Y C 1.678 177.526 175.900 -0.087 0.000 1.159 275 Y CA 2.374 60.455 58.100 -0.032 0.000 1.125 275 Y CB -0.322 38.139 38.460 0.002 0.000 0.969 275 Y HN -0.032 nan 8.280 nan 0.000 0.492 276 K N 0.737 120.894 120.400 -0.406 0.000 2.002 276 K HA -0.085 4.230 4.320 -0.009 0.000 0.209 276 K C 2.466 178.817 176.600 -0.415 0.000 1.048 276 K CA 1.613 57.577 56.287 -0.540 0.000 0.930 276 K CB -1.018 31.339 32.500 -0.239 0.000 0.714 276 K HN 0.378 nan 8.250 nan 0.000 0.438 277 A N 1.232 123.896 122.820 -0.260 0.000 1.940 277 A HA -0.280 4.035 4.320 -0.009 0.000 0.219 277 A C 2.244 179.677 177.584 -0.251 0.000 1.176 277 A CA 1.995 53.891 52.037 -0.234 0.000 0.631 277 A CB -0.487 18.423 19.000 -0.150 0.000 0.814 277 A HN 0.491 nan 8.150 nan 0.000 0.446 278 E N -0.104 119.962 120.200 -0.224 0.000 2.021 278 E HA -0.206 4.139 4.350 -0.009 0.000 0.189 278 E C 2.036 178.494 176.600 -0.237 0.000 0.980 278 E CA 1.015 57.304 56.400 -0.185 0.000 0.803 278 E CB -0.257 29.387 29.700 -0.094 0.000 0.766 278 E HN 0.783 nan 8.360 nan 0.000 0.449 279 E N 0.678 120.679 120.200 -0.332 0.000 2.219 279 E HA -0.246 4.098 4.350 -0.009 0.000 0.198 279 E C 1.708 178.127 176.600 -0.302 0.000 0.998 279 E CA 1.390 57.598 56.400 -0.319 0.000 0.818 279 E CB 0.029 29.430 29.700 -0.499 0.000 0.741 279 E HN 0.154 nan 8.360 nan 0.000 0.477 280 K N 0.483 120.663 120.400 -0.366 0.000 2.057 280 K HA 0.201 4.516 4.320 -0.009 0.000 0.209 280 K C 1.128 177.415 176.600 -0.523 0.000 1.028 280 K CA 0.899 56.958 56.287 -0.381 0.000 0.950 280 K CB 0.004 32.256 32.500 -0.413 0.000 0.784 280 K HN 0.183 nan 8.250 nan 0.000 0.448 281 L N -2.771 118.085 121.223 -0.612 0.000 2.323 281 L HA 0.708 5.043 4.340 -0.009 0.000 0.265 281 L C 0.353 177.024 176.870 -0.332 0.000 1.012 281 L CA -0.755 53.631 54.840 -0.756 0.000 0.820 281 L CB 1.706 43.113 42.059 -1.086 0.000 1.334 281 L HN 0.481 nan 8.230 nan 0.000 0.427 282 G N 1.061 109.748 108.800 -0.189 0.000 2.564 282 G HA2 -0.269 3.685 3.960 -0.009 0.000 0.273 282 G HA3 -0.269 3.685 3.960 -0.009 0.000 0.273 282 G C 0.155 175.012 174.900 -0.072 0.000 1.242 282 G CA 0.623 45.673 45.100 -0.082 0.000 0.951 282 G HN 0.857 nan 8.290 nan 0.000 0.564 283 I N -0.946 119.596 120.570 -0.048 0.000 3.888 283 I HA 0.246 4.410 4.170 -0.009 0.000 0.268 283 I C 1.398 177.500 176.117 -0.026 0.000 1.118 283 I CA -0.126 61.153 61.300 -0.034 0.000 1.352 283 I CB 0.410 38.404 38.000 -0.010 0.000 1.742 283 I HN 0.418 nan 8.210 nan 0.000 0.415 284 R N 0.895 121.388 120.500 -0.012 0.000 2.943 284 R HA 0.746 5.081 4.340 -0.009 0.000 0.246 284 R C -1.417 174.880 176.300 -0.005 0.000 1.201 284 R CA -0.764 55.334 56.100 -0.002 0.000 1.056 284 R CB 2.132 32.440 30.300 0.012 0.000 1.243 284 R HN -0.010 nan 8.270 nan 0.000 0.498 285 L N 0.388 121.614 121.223 0.004 0.000 2.513 285 L HA 0.235 4.570 4.340 -0.009 0.000 0.256 285 L C -1.361 175.519 176.870 0.017 0.000 1.163 285 L CA 0.083 54.926 54.840 0.005 0.000 0.895 285 L CB 1.415 43.468 42.059 -0.010 0.000 1.076 285 L HN 0.504 nan 8.230 nan 0.000 0.491 286 S N 1.949 117.663 115.700 0.024 0.000 2.558 286 S HA 0.608 5.072 4.470 -0.009 0.000 0.288 286 S C 0.693 175.311 174.600 0.030 0.000 1.318 286 S CA 0.686 58.903 58.200 0.028 0.000 1.056 286 S CB 0.388 63.605 63.200 0.029 0.000 0.853 286 S HN 1.448 nan 8.310 nan 0.000 0.505 287 G N 2.249 111.068 108.800 0.032 0.000 2.814 287 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.677 287 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.677 287 G C 0.496 175.415 174.900 0.031 0.000 1.429 287 G CA -0.098 45.022 45.100 0.033 0.000 0.868 287 G HN 0.544 nan 8.290 nan 0.000 0.553 288 R N -0.072 120.447 120.500 0.031 0.000 2.080 288 R HA 0.013 4.348 4.340 -0.009 0.000 0.236 288 R C 1.829 178.145 176.300 0.027 0.000 1.137 288 R CA 2.661 58.782 56.100 0.034 0.000 0.943 288 R CB -1.204 29.119 30.300 0.038 0.000 0.846 288 R HN 0.845 nan 8.270 nan 0.000 0.431 289 T N -0.231 114.337 114.554 0.023 0.000 2.572 289 T HA 0.329 4.674 4.350 -0.009 0.000 0.244 289 T C -0.137 174.570 174.700 0.013 0.000 0.860 289 T CA -0.436 61.668 62.100 0.008 0.000 1.125 289 T CB 0.186 69.059 68.868 0.009 0.000 1.491 289 T HN 0.217 nan 8.240 nan 0.000 0.532 290 L N 0.582 121.806 121.223 0.003 0.000 2.388 290 L HA 0.702 5.036 4.340 -0.009 0.000 0.252 290 L C 0.073 177.003 176.870 0.099 0.000 1.357 290 L CA -0.647 54.212 54.840 0.033 0.000 1.214 290 L CB -1.308 40.740 42.059 -0.018 0.000 1.392 290 L HN 0.475 nan 8.230 nan 0.000 0.432 291 A N 3.097 125.961 122.820 0.072 0.000 2.337 291 A HA 0.972 5.286 4.320 -0.009 0.000 0.331 291 A C -0.109 177.494 177.584 0.033 0.000 1.137 291 A CA -0.845 51.234 52.037 0.070 0.000 0.807 291 A CB 1.496 20.525 19.000 0.049 0.000 1.250 291 A HN 0.727 nan 8.150 nan 0.000 0.468 292 R N 0.234 120.731 120.500 -0.006 0.000 4.106 292 R HA 0.294 4.629 4.340 -0.009 0.000 0.252 292 R C -1.227 175.034 176.300 -0.065 0.000 0.977 292 R CA -0.037 56.044 56.100 -0.033 0.000 1.118 292 R CB 0.254 30.487 30.300 -0.111 0.000 1.237 292 R HN 1.471 nan 8.270 nan 0.000 0.587 293 F N 1.311 121.157 119.950 -0.174 0.000 2.960 293 F HA 0.343 4.865 4.527 -0.009 0.000 0.403 293 F C 0.854 176.653 175.800 -0.003 0.000 0.955 293 F CA 0.175 58.137 58.000 -0.063 0.000 1.010 293 F CB -0.023 39.051 39.000 0.124 0.000 1.255 293 F HN 0.651 nan 8.300 nan 0.000 0.559 294 E N 0.956 120.755 120.200 -0.668 0.000 2.393 294 E HA -0.192 4.153 4.350 -0.009 0.000 0.201 294 E C 0.402 176.785 176.600 -0.361 0.000 1.025 294 E CA 1.930 57.907 56.400 -0.704 0.000 0.856 294 E CB -0.072 29.409 29.700 -0.365 0.000 0.771 294 E HN 0.533 nan 8.360 nan 0.000 0.526 295 D N -2.542 117.727 120.400 -0.220 0.000 2.498 295 D HA 0.156 4.790 4.640 -0.009 0.000 0.223 295 D C 1.097 177.372 176.300 -0.040 0.000 1.125 295 D CA 0.773 54.708 54.000 -0.110 0.000 0.835 295 D CB 1.010 41.768 40.800 -0.071 0.000 1.086 295 D HN 0.277 nan 8.370 nan 0.000 0.510 296 G N 1.220 110.010 108.800 -0.016 0.000 2.363 296 G HA2 -0.279 3.676 3.960 -0.009 0.000 0.238 296 G HA3 -0.279 3.676 3.960 -0.009 0.000 0.238 296 G C 0.346 175.362 174.900 0.194 0.000 1.062 296 G CA 0.261 45.424 45.100 0.104 0.000 0.629 296 G HN 0.350 nan 8.290 nan 0.000 0.514 297 E N 1.395 121.667 120.200 0.119 0.000 2.223 297 E HA 0.481 4.826 4.350 -0.009 0.000 0.282 297 E C -0.526 176.183 176.600 0.181 0.000 1.046 297 E CA -0.659 55.852 56.400 0.185 0.000 0.857 297 E CB 0.138 29.895 29.700 0.094 0.000 1.055 297 E HN 0.136 nan 8.360 nan 0.000 0.409 298 F N 3.522 123.523 119.950 0.085 0.000 2.380 298 F HA 0.238 4.760 4.527 -0.009 0.000 0.325 298 F C 1.193 177.058 175.800 0.109 0.000 1.136 298 F CA -0.140 57.930 58.000 0.116 0.000 1.171 298 F CB 0.753 39.839 39.000 0.143 0.000 1.230 298 F HN 0.439 nan 8.300 nan 0.000 0.554 299 K N 0.277 120.834 120.400 0.261 0.000 2.246 299 K HA 0.595 4.910 4.320 -0.009 0.000 0.239 299 K C -1.537 175.226 176.600 0.273 0.000 1.089 299 K CA -0.759 55.649 56.287 0.203 0.000 0.892 299 K CB 2.134 34.702 32.500 0.112 0.000 1.334 299 K HN 0.619 nan 8.250 nan 0.000 0.507 300 D N -0.412 120.133 120.400 0.242 0.000 3.595 300 D HA -0.023 4.612 4.640 -0.009 0.000 0.253 300 D C -0.364 176.044 176.300 0.179 0.000 1.395 300 D CA -0.254 53.897 54.000 0.251 0.000 0.820 300 D CB 0.020 41.062 40.800 0.403 0.000 1.431 300 D HN 0.802 nan 8.370 nan 0.000 0.690 301 E N 0.208 120.476 120.200 0.113 0.000 2.533 301 E HA -0.025 4.320 4.350 -0.009 0.000 0.203 301 E C 0.685 177.295 176.600 0.017 0.000 1.101 301 E CA 0.502 56.948 56.400 0.077 0.000 0.894 301 E CB 0.370 30.102 29.700 0.052 0.000 0.843 301 E HN 0.296 nan 8.360 nan 0.000 0.552 302 V N -0.753 119.148 119.914 -0.022 0.000 2.695 302 V HA -0.047 4.068 4.120 -0.009 0.000 0.230 302 V C 1.498 177.545 176.094 -0.078 0.000 1.110 302 V CA 0.729 62.949 62.300 -0.133 0.000 1.159 302 V CB -0.694 30.928 31.823 -0.336 0.000 0.875 302 V HN 0.311 nan 8.190 nan 0.000 0.502 303 F N 0.127 120.094 119.950 0.028 0.000 2.184 303 F HA -0.293 4.228 4.527 -0.009 0.000 0.301 303 F C 2.230 178.008 175.800 -0.038 0.000 1.076 303 F CA 1.993 59.994 58.000 0.002 0.000 1.295 303 F CB -0.204 38.809 39.000 0.021 0.000 1.026 303 F HN 0.144 nan 8.300 nan 0.000 0.494 304 L N 0.339 121.634 121.223 0.120 0.000 2.049 304 L HA 0.000 4.335 4.340 -0.009 0.000 0.203 304 L C -0.832 176.025 176.870 -0.021 0.000 1.074 304 L CA 1.373 56.183 54.840 -0.050 0.000 0.749 304 L CB -1.349 40.585 42.059 -0.207 0.000 0.907 304 L HN -0.151 nan 8.230 nan 0.000 0.439 305 P HA -0.128 nan 4.420 nan 0.000 0.219 305 P C 1.388 178.726 177.300 0.064 0.000 1.146 305 P CA 1.942 65.052 63.100 0.016 0.000 0.808 305 P CB -0.234 31.453 31.700 -0.021 0.000 0.779 306 T N -2.434 112.168 114.554 0.080 0.000 2.735 306 T HA -0.099 4.245 4.350 -0.009 0.000 0.256 306 T C 1.752 176.614 174.700 0.270 0.000 1.042 306 T CA 0.698 62.898 62.100 0.167 0.000 1.147 306 T CB -1.330 67.593 68.868 0.091 0.000 0.865 306 T HN -0.061 nan 8.240 nan 0.000 0.421 307 L N 1.485 122.805 121.223 0.161 0.000 2.083 307 L HA 0.115 4.449 4.340 -0.009 0.000 0.209 307 L C 2.880 179.832 176.870 0.137 0.000 1.083 307 L CA 1.720 56.642 54.840 0.138 0.000 0.752 307 L CB -0.732 41.330 42.059 0.006 0.000 0.899 307 L HN 0.270 nan 8.230 nan 0.000 0.433 308 R N -1.932 118.607 120.500 0.066 0.000 2.091 308 R HA -0.268 4.066 4.340 -0.009 0.000 0.238 308 R C 2.256 178.688 176.300 0.220 0.000 1.136 308 R CA 1.969 58.106 56.100 0.061 0.000 0.959 308 R CB -0.607 29.721 30.300 0.048 0.000 0.856 308 R HN 0.440 nan 8.270 nan 0.000 0.437 309 Y N 0.418 120.772 120.300 0.091 0.000 2.421 309 Y HA -0.134 4.410 4.550 -0.009 0.000 0.292 309 Y C 1.787 177.680 175.900 -0.013 0.000 1.136 309 Y CA 0.951 59.029 58.100 -0.038 0.000 1.255 309 Y CB 0.063 38.445 38.460 -0.131 0.000 0.991 309 Y HN 0.153 nan 8.280 nan 0.000 0.552 310 L N -1.397 120.088 121.223 0.436 0.000 2.068 310 L HA -0.081 4.254 4.340 -0.009 0.000 0.204 310 L C 2.020 179.099 176.870 0.349 0.000 1.076 310 L CA 1.661 56.806 54.840 0.510 0.000 0.753 310 L CB -1.002 41.370 42.059 0.521 0.000 0.910 310 L HN 0.150 nan 8.230 nan 0.000 0.439 311 F N -0.307 119.709 119.950 0.110 0.000 2.161 311 F HA -0.252 4.269 4.527 -0.009 0.000 0.300 311 F C 2.411 178.248 175.800 0.061 0.000 1.089 311 F CA 0.940 58.988 58.000 0.081 0.000 1.282 311 F CB -0.300 38.730 39.000 0.050 0.000 1.010 311 F HN 0.260 nan 8.300 nan 0.000 0.485 312 A N -0.217 122.711 122.820 0.179 0.000 1.873 312 A HA -0.176 4.138 4.320 -0.009 0.000 0.215 312 A C 1.961 179.400 177.584 -0.241 0.000 1.186 312 A CA 1.417 53.414 52.037 -0.067 0.000 0.616 312 A CB -0.967 17.869 19.000 -0.274 0.000 0.823 312 A HN 0.350 nan 8.150 nan 0.000 0.442 313 L N 0.728 121.744 121.223 -0.345 0.000 2.056 313 L HA -0.090 4.245 4.340 -0.009 0.000 0.207 313 L C 2.324 179.080 176.870 -0.190 0.000 1.078 313 L CA 2.733 57.301 54.840 -0.453 0.000 0.749 313 L CB -0.964 40.763 42.059 -0.555 0.000 0.901 313 L HN 0.497 nan 8.230 nan 0.000 0.433 314 T N -2.041 112.579 114.554 0.112 0.000 3.308 314 T HA 0.417 4.761 4.350 -0.009 0.000 0.255 314 T C 0.546 175.324 174.700 0.130 0.000 1.162 314 T CA 0.221 62.514 62.100 0.321 0.000 1.031 314 T CB -0.816 68.147 68.868 0.159 0.000 0.973 314 T HN 0.438 nan 8.240 nan 0.000 0.544 315 A N -0.114 122.734 122.820 0.046 0.000 2.385 315 A HA 0.770 5.085 4.320 -0.009 0.000 0.290 315 A C 1.113 178.673 177.584 -0.040 0.000 1.094 315 A CA -0.304 51.739 52.037 0.010 0.000 0.729 315 A CB 0.783 19.800 19.000 0.029 0.000 1.194 315 A HN 0.696 nan 8.150 nan 0.000 0.442 316 G N 1.220 110.010 108.800 -0.016 0.000 2.669 316 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.365 316 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.365 316 G C 0.441 175.289 174.900 -0.088 0.000 1.119 316 G CA 1.348 46.425 45.100 -0.037 0.000 0.908 316 G HN 1.844 nan 8.290 nan 0.000 0.615 317 V N 1.288 121.107 119.914 -0.160 0.000 2.670 317 V HA 0.306 4.420 4.120 -0.009 0.000 0.258 317 V C -1.518 174.377 176.094 -0.332 0.000 0.906 317 V CA -0.006 62.117 62.300 -0.296 0.000 0.887 317 V CB 1.605 33.251 31.823 -0.296 0.000 1.059 317 V HN 0.445 nan 8.190 nan 0.000 0.484 318 P HA 0.126 nan 4.420 nan 0.000 0.221 318 P C 1.009 178.108 177.300 -0.335 0.000 1.150 318 P CA 1.542 64.447 63.100 -0.326 0.000 0.800 318 P CB 0.517 31.979 31.700 -0.397 0.000 0.787 319 G N -2.441 106.092 108.800 -0.444 0.000 2.637 319 G HA2 0.145 4.099 3.960 -0.009 0.000 0.112 319 G HA3 0.145 4.099 3.960 -0.009 0.000 0.112 319 G C -1.398 173.033 174.900 -0.781 0.000 1.181 319 G CA -0.407 44.389 45.100 -0.506 0.000 1.150 319 G HN 0.008 nan 8.290 nan 0.000 0.561 320 H N 1.530 120.496 119.070 -0.174 0.000 2.597 320 H HA 0.205 4.755 4.556 -0.009 0.000 0.225 320 H C 0.374 175.591 175.328 -0.185 0.000 1.422 320 H CA -0.332 55.615 56.048 -0.167 0.000 1.335 320 H CB 0.976 30.673 29.762 -0.108 0.000 1.783 320 H HN 0.526 nan 8.280 nan 0.000 0.513 321 E N 0.418 120.481 120.200 -0.228 0.000 2.448 321 E HA -0.056 4.288 4.350 -0.009 0.000 0.203 321 E C 0.860 177.387 176.600 -0.121 0.000 1.046 321 E CA 0.157 56.417 56.400 -0.234 0.000 0.871 321 E CB -0.178 29.194 29.700 -0.547 0.000 0.790 321 E HN 0.197 nan 8.360 nan 0.000 0.545 322 V N 3.931 123.783 119.914 -0.103 0.000 2.382 322 V HA -0.057 4.058 4.120 -0.009 0.000 0.250 322 V C 0.586 176.715 176.094 0.059 0.000 1.069 322 V CA 0.148 62.441 62.300 -0.012 0.000 1.130 322 V CB -0.496 31.334 31.823 0.011 0.000 1.165 322 V HN 0.019 nan 8.190 nan 0.000 0.483 323 D N 2.983 123.452 120.400 0.114 0.000 2.382 323 D HA 0.056 4.690 4.640 -0.009 0.000 0.240 323 D C 0.003 176.385 176.300 0.137 0.000 1.146 323 D CA 0.047 54.126 54.000 0.131 0.000 0.897 323 D CB 1.162 42.088 40.800 0.210 0.000 1.197 323 D HN 0.435 nan 8.370 nan 0.000 0.432 324 D N 1.740 122.220 120.400 0.134 0.000 2.313 324 D HA 0.119 4.753 4.640 -0.009 0.000 0.239 324 D C 1.306 177.682 176.300 0.127 0.000 1.142 324 D CA -0.407 53.679 54.000 0.144 0.000 0.847 324 D CB 0.943 41.894 40.800 0.252 0.000 1.082 324 D HN 0.297 nan 8.370 nan 0.000 0.480 325 I N 2.012 122.617 120.570 0.059 0.000 2.394 325 I HA -0.193 3.971 4.170 -0.009 0.000 0.251 325 I C 1.173 177.286 176.117 -0.006 0.000 1.136 325 I CA 0.849 62.158 61.300 0.016 0.000 1.425 325 I CB 0.084 38.071 38.000 -0.022 0.000 1.079 325 I HN 0.288 nan 8.210 nan 0.000 0.425 326 D N -1.310 119.019 120.400 -0.119 0.000 2.349 326 D HA -0.007 4.628 4.640 -0.009 0.000 0.214 326 D C 0.802 176.967 176.300 -0.225 0.000 1.063 326 D CA 0.141 54.014 54.000 -0.211 0.000 0.847 326 D CB -0.079 40.495 40.800 -0.377 0.000 0.933 326 D HN 0.285 nan 8.370 nan 0.000 0.513 327 H N 1.355 120.334 119.070 -0.152 0.000 2.815 327 H HA 0.021 4.572 4.556 -0.009 0.000 0.350 327 H C 1.062 176.493 175.328 0.172 0.000 1.080 327 H CA -0.134 56.012 56.048 0.163 0.000 1.433 327 H CB 1.242 31.136 29.762 0.220 0.000 1.432 327 H HN -0.133 nan 8.280 nan 0.000 0.592 328 L N 4.049 125.519 121.223 0.411 0.000 2.465 328 L HA -0.000 4.334 4.340 -0.009 0.000 0.224 328 L C 2.564 179.726 176.870 0.488 0.000 1.145 328 L CA 1.438 56.525 54.840 0.413 0.000 0.834 328 L CB -0.379 41.869 42.059 0.316 0.000 0.944 328 L HN 0.844 nan 8.230 nan 0.000 0.451 329 G N -0.935 108.219 108.800 0.589 0.000 2.679 329 G HA2 -0.178 3.777 3.960 -0.009 0.000 0.212 329 G HA3 -0.178 3.777 3.960 -0.009 0.000 0.212 329 G C 0.902 175.880 174.900 0.130 0.000 1.137 329 G CA 0.284 45.481 45.100 0.161 0.000 0.787 329 G HN 0.410 nan 8.290 nan 0.000 0.534 330 N N -0.273 118.600 118.700 0.288 0.000 2.365 330 N HA 0.270 5.005 4.740 -0.009 0.000 0.257 330 N C -0.368 175.381 175.510 0.398 0.000 1.287 330 N CA -0.222 53.048 53.050 0.368 0.000 0.882 330 N CB 0.942 39.676 38.487 0.411 0.000 1.250 330 N HN 0.127 nan 8.380 nan 0.000 0.507 331 R N 0.173 120.906 120.500 0.389 0.000 2.522 331 R HA 0.410 4.745 4.340 -0.009 0.000 0.283 331 R C -0.942 175.496 176.300 0.230 0.000 1.074 331 R CA -0.700 55.570 56.100 0.283 0.000 0.925 331 R CB 2.543 32.972 30.300 0.215 0.000 1.205 331 R HN 0.015 nan 8.270 nan 0.000 0.436 332 R N 2.335 122.874 120.500 0.065 0.000 2.664 332 R HA 0.503 4.837 4.340 -0.009 0.000 0.286 332 R C -0.936 175.151 176.300 -0.355 0.000 0.967 332 R CA -0.698 55.283 56.100 -0.199 0.000 0.933 332 R CB 1.060 31.185 30.300 -0.292 0.000 1.146 332 R HN 0.395 nan 8.270 nan 0.000 0.468 333 I N 4.406 124.803 120.570 -0.290 0.000 2.359 333 I HA 0.268 4.433 4.170 -0.009 0.000 0.284 333 I C -0.172 175.813 176.117 -0.221 0.000 1.018 333 I CA -0.489 60.676 61.300 -0.225 0.000 1.173 333 I CB 1.370 39.304 38.000 -0.110 0.000 1.326 333 I HN 0.502 nan 8.210 nan 0.000 0.462 334 R N 4.293 124.661 120.500 -0.220 0.000 2.419 334 R HA 0.375 4.710 4.340 -0.009 0.000 0.305 334 R C 0.414 176.698 176.300 -0.026 0.000 1.242 334 R CA -0.508 55.531 56.100 -0.101 0.000 1.105 334 R CB -0.708 29.579 30.300 -0.020 0.000 1.116 334 R HN 0.635 nan 8.270 nan 0.000 0.523 335 T N -0.878 113.665 114.554 -0.019 0.000 2.576 335 T HA -0.112 4.233 4.350 -0.009 0.000 0.351 335 T C 1.806 176.545 174.700 0.066 0.000 1.066 335 T CA -0.298 61.811 62.100 0.015 0.000 1.046 335 T CB 0.313 69.195 68.868 0.023 0.000 0.999 335 T HN 0.255 nan 8.240 nan 0.000 0.544 336 V N 1.543 121.510 119.914 0.087 0.000 2.380 336 V HA -0.110 4.004 4.120 -0.009 0.000 0.251 336 V C 2.902 179.136 176.094 0.234 0.000 1.063 336 V CA 2.165 64.557 62.300 0.153 0.000 1.055 336 V CB -2.130 29.771 31.823 0.130 0.000 0.657 336 V HN 1.128 nan 8.190 nan 0.000 0.455 337 G N -0.033 108.907 108.800 0.234 0.000 2.838 337 G HA2 -0.399 3.556 3.960 -0.009 0.000 0.215 337 G HA3 -0.399 3.556 3.960 -0.009 0.000 0.215 337 G C 1.418 176.409 174.900 0.152 0.000 1.327 337 G CA 1.146 46.366 45.100 0.199 0.000 0.802 337 G HN 0.555 nan 8.290 nan 0.000 0.658 338 E N -0.052 120.241 120.200 0.155 0.000 2.236 338 E HA -0.204 4.140 4.350 -0.009 0.000 0.205 338 E C 2.516 179.190 176.600 0.124 0.000 1.028 338 E CA 1.160 57.675 56.400 0.191 0.000 0.827 338 E CB -0.230 29.542 29.700 0.120 0.000 0.735 338 E HN 0.512 nan 8.360 nan 0.000 0.470 339 L N -0.264 121.013 121.223 0.091 0.000 2.179 339 L HA -0.113 4.222 4.340 -0.009 0.000 0.208 339 L C 2.671 179.433 176.870 -0.180 0.000 1.096 339 L CA 0.432 55.275 54.840 0.005 0.000 0.779 339 L CB -0.242 41.892 42.059 0.124 0.000 0.922 339 L HN 0.326 nan 8.230 nan 0.000 0.443 340 M N -0.693 118.914 119.600 0.011 0.000 2.171 340 M HA -0.154 4.320 4.480 -0.009 0.000 0.260 340 M C 2.455 178.760 176.300 0.008 0.000 1.087 340 M CA 1.899 57.236 55.300 0.063 0.000 1.154 340 M CB -0.560 32.264 32.600 0.374 0.000 1.331 340 M HN 0.146 nan 8.290 nan 0.000 0.431 341 T N 0.905 115.454 114.554 -0.007 0.000 2.802 341 T HA -0.184 4.160 4.350 -0.009 0.000 0.269 341 T C 1.132 175.843 174.700 0.019 0.000 1.062 341 T CA 1.983 64.048 62.100 -0.058 0.000 1.133 341 T CB -0.244 68.549 68.868 -0.126 0.000 0.852 341 T HN 0.343 nan 8.240 nan 0.000 0.485 342 D N 0.341 120.752 120.400 0.018 0.000 2.087 342 D HA -0.042 4.593 4.640 -0.009 0.000 0.201 342 D C 2.234 178.516 176.300 -0.030 0.000 0.980 342 D CA 1.051 55.059 54.000 0.014 0.000 0.849 342 D CB -0.759 40.050 40.800 0.014 0.000 1.001 342 D HN 0.312 nan 8.370 nan 0.000 0.452 343 Q N 0.017 119.757 119.800 -0.100 0.000 2.173 343 Q HA -0.172 4.162 4.340 -0.009 0.000 0.208 343 Q C 1.873 177.851 176.000 -0.037 0.000 0.989 343 Q CA 1.015 56.764 55.803 -0.091 0.000 0.872 343 Q CB -0.625 28.000 28.738 -0.187 0.000 0.909 343 Q HN 0.321 nan 8.270 nan 0.000 0.420 344 F N 0.419 120.276 119.950 -0.155 0.000 2.546 344 F HA -0.094 4.427 4.527 -0.009 0.000 0.298 344 F C 1.915 177.571 175.800 -0.240 0.000 1.120 344 F CA 1.346 59.234 58.000 -0.186 0.000 1.456 344 F CB 0.109 38.981 39.000 -0.213 0.000 1.088 344 F HN 0.119 nan 8.300 nan 0.000 0.572 345 R N -1.399 119.020 120.500 -0.135 0.000 2.316 345 R HA 0.132 4.466 4.340 -0.009 0.000 0.201 345 R C 1.495 177.686 176.300 -0.182 0.000 0.888 345 R CA 0.932 56.903 56.100 -0.215 0.000 1.041 345 R CB -0.691 29.538 30.300 -0.118 0.000 1.115 345 R HN 0.208 nan 8.270 nan 0.000 0.559 346 V N 1.610 121.450 119.914 -0.123 0.000 2.244 346 V HA -0.091 4.024 4.120 -0.009 0.000 0.244 346 V C 2.463 178.487 176.094 -0.117 0.000 1.042 346 V CA 2.245 64.490 62.300 -0.091 0.000 1.006 346 V CB -0.812 30.980 31.823 -0.053 0.000 0.641 346 V HN 0.637 nan 8.190 nan 0.000 0.446 347 G N -0.681 108.036 108.800 -0.139 0.000 2.559 347 G HA2 -0.156 3.799 3.960 -0.009 0.000 0.216 347 G HA3 -0.156 3.799 3.960 -0.009 0.000 0.216 347 G C 1.455 176.226 174.900 -0.215 0.000 1.126 347 G CA 0.571 45.583 45.100 -0.146 0.000 0.778 347 G HN 0.437 nan 8.290 nan 0.000 0.543 348 L N 0.563 121.607 121.223 -0.299 0.000 2.341 348 L HA 0.431 4.765 4.340 -0.009 0.000 0.214 348 L C 2.736 179.468 176.870 -0.230 0.000 1.115 348 L CA 1.426 56.055 54.840 -0.352 0.000 0.820 348 L CB -0.135 41.616 42.059 -0.513 0.000 0.944 348 L HN 0.137 nan 8.230 nan 0.000 0.452 349 A N -0.524 122.193 122.820 -0.172 0.000 2.016 349 A HA -0.078 4.236 4.320 -0.009 0.000 0.217 349 A C 2.303 179.831 177.584 -0.095 0.000 1.162 349 A CA 0.847 52.812 52.037 -0.120 0.000 0.662 349 A CB -0.381 18.564 19.000 -0.092 0.000 0.812 349 A HN 0.447 nan 8.150 nan 0.000 0.450 350 R N -0.817 119.625 120.500 -0.097 0.000 2.120 350 R HA -0.087 4.247 4.340 -0.009 0.000 0.234 350 R C 2.043 178.303 176.300 -0.068 0.000 1.123 350 R CA 1.313 57.370 56.100 -0.071 0.000 0.975 350 R CB -0.532 29.727 30.300 -0.068 0.000 0.866 350 R HN 0.522 nan 8.270 nan 0.000 0.446 351 L N 0.832 122.000 121.223 -0.090 0.000 1.973 351 L HA -0.044 4.290 4.340 -0.009 0.000 0.208 351 L C 2.299 179.138 176.870 -0.052 0.000 1.073 351 L CA 2.155 56.952 54.840 -0.072 0.000 0.746 351 L CB -0.949 41.053 42.059 -0.096 0.000 0.891 351 L HN 0.102 nan 8.230 nan 0.000 0.433 352 A N -0.219 122.562 122.820 -0.066 0.000 1.958 352 A HA -0.273 4.042 4.320 -0.009 0.000 0.221 352 A C 2.367 179.933 177.584 -0.029 0.000 1.178 352 A CA 2.160 54.171 52.037 -0.043 0.000 0.642 352 A CB -0.666 18.299 19.000 -0.058 0.000 0.816 352 A HN 0.614 nan 8.150 nan 0.000 0.453 353 R N -1.292 119.187 120.500 -0.035 0.000 2.082 353 R HA -0.083 4.252 4.340 -0.009 0.000 0.228 353 R C 2.551 178.841 176.300 -0.016 0.000 1.140 353 R CA 1.289 57.375 56.100 -0.024 0.000 0.920 353 R CB -1.007 29.277 30.300 -0.026 0.000 0.828 353 R HN 0.494 nan 8.270 nan 0.000 0.430 354 G N 0.654 109.443 108.800 -0.018 0.000 2.442 354 G HA2 -0.263 3.692 3.960 -0.009 0.000 0.219 354 G HA3 -0.263 3.692 3.960 -0.009 0.000 0.219 354 G C 1.462 176.358 174.900 -0.007 0.000 1.141 354 G CA 0.849 45.941 45.100 -0.012 0.000 0.763 354 G HN 0.240 nan 8.290 nan 0.000 0.554 355 V N 0.512 120.423 119.914 -0.006 0.000 2.307 355 V HA -0.107 4.007 4.120 -0.009 0.000 0.245 355 V C 2.836 178.934 176.094 0.006 0.000 1.045 355 V CA 2.216 64.518 62.300 0.004 0.000 1.024 355 V CB -0.419 31.411 31.823 0.012 0.000 0.651 355 V HN 0.387 nan 8.190 nan 0.000 0.449 356 R N -0.423 120.079 120.500 0.004 0.000 2.133 356 R HA -0.233 4.102 4.340 -0.009 0.000 0.247 356 R C 2.225 178.530 176.300 0.008 0.000 1.151 356 R CA 2.287 58.390 56.100 0.006 0.000 0.971 356 R CB -0.272 30.029 30.300 0.002 0.000 0.866 356 R HN 0.677 nan 8.270 nan 0.000 0.447 357 E N -0.526 119.677 120.200 0.005 0.000 2.112 357 E HA -0.123 4.222 4.350 -0.009 0.000 0.190 357 E C 1.978 178.583 176.600 0.007 0.000 0.979 357 E CA 0.551 56.954 56.400 0.006 0.000 0.814 357 E CB 0.072 29.773 29.700 0.003 0.000 0.762 357 E HN 0.165 nan 8.360 nan 0.000 0.460 358 R N 0.260 120.764 120.500 0.007 0.000 2.237 358 R HA 0.032 4.366 4.340 -0.009 0.000 0.219 358 R C 2.087 178.396 176.300 0.014 0.000 1.080 358 R CA 0.535 56.640 56.100 0.009 0.000 0.995 358 R CB 0.009 30.313 30.300 0.007 0.000 0.875 358 R HN 0.111 nan 8.270 nan 0.000 0.462 359 M N 0.202 119.812 119.600 0.016 0.000 2.460 359 M HA -0.068 4.407 4.480 -0.009 0.000 0.263 359 M C 1.121 177.434 176.300 0.021 0.000 1.071 359 M CA 1.492 56.804 55.300 0.021 0.000 1.096 359 M CB -0.029 32.584 32.600 0.021 0.000 1.408 359 M HN 0.190 nan 8.290 nan 0.000 0.463 360 L N -1.570 119.663 121.223 0.016 0.000 2.185 360 L HA -0.031 4.303 4.340 -0.009 0.000 0.198 360 L C 2.253 179.131 176.870 0.013 0.000 1.079 360 L CA 0.430 55.279 54.840 0.015 0.000 0.780 360 L CB -0.780 41.287 42.059 0.012 0.000 0.955 360 L HN 0.113 nan 8.230 nan 0.000 0.462 361 M N 0.892 120.498 119.600 0.010 0.000 2.346 361 M HA -0.044 4.431 4.480 -0.009 0.000 0.263 361 M C 1.158 177.464 176.300 0.009 0.000 1.064 361 M CA 0.892 56.197 55.300 0.008 0.000 1.083 361 M CB -0.923 31.681 32.600 0.006 0.000 1.399 361 M HN 0.304 nan 8.290 nan 0.000 0.435 362 G N 0.002 108.809 108.800 0.013 0.000 2.398 362 G HA2 0.223 4.178 3.960 -0.009 0.000 0.246 362 G HA3 0.223 4.178 3.960 -0.009 0.000 0.246 362 G C 0.400 175.308 174.900 0.013 0.000 1.289 362 G CA -0.549 44.560 45.100 0.015 0.000 0.869 362 G HN 0.218 nan 8.290 nan 0.000 0.543 363 S N 1.484 117.190 115.700 0.009 0.000 2.446 363 S HA -0.070 4.395 4.470 -0.009 0.000 0.200 363 S C 1.782 176.384 174.600 0.002 0.000 1.248 363 S CA 1.344 59.546 58.200 0.004 0.000 1.813 363 S CB -0.112 63.088 63.200 -0.000 0.000 0.870 363 S HN 0.772 nan 8.310 nan 0.000 0.371 364 E N -0.993 119.204 120.200 -0.005 0.000 2.444 364 E HA 0.180 4.524 4.350 -0.009 0.000 0.203 364 E C 0.895 177.472 176.600 -0.039 0.000 0.847 364 E CA 0.200 56.587 56.400 -0.020 0.000 1.142 364 E CB 0.438 30.119 29.700 -0.033 0.000 1.125 364 E HN 0.333 nan 8.360 nan 0.000 0.521 365 D N -0.447 119.931 120.400 -0.036 0.000 2.292 365 D HA 0.082 4.716 4.640 -0.009 0.000 0.322 365 D C 0.208 176.521 176.300 0.022 0.000 1.087 365 D CA 0.204 54.172 54.000 -0.053 0.000 0.857 365 D CB 0.739 41.445 40.800 -0.156 0.000 1.445 365 D HN -0.131 nan 8.370 nan 0.000 0.528 366 S N 1.474 117.183 115.700 0.016 0.000 2.967 366 S HA 0.078 4.542 4.470 -0.009 0.000 0.254 366 S C 1.380 176.001 174.600 0.035 0.000 1.089 366 S CA -0.136 58.078 58.200 0.024 0.000 1.183 366 S CB -0.610 62.595 63.200 0.009 0.000 0.848 366 S HN 0.389 nan 8.310 nan 0.000 0.477 367 L N -1.783 119.477 121.223 0.062 0.000 2.928 367 L HA 0.439 4.774 4.340 -0.009 0.000 0.236 367 L C 0.569 177.465 176.870 0.043 0.000 1.290 367 L CA -0.358 54.516 54.840 0.056 0.000 1.099 367 L CB -0.420 41.682 42.059 0.072 0.000 1.437 367 L HN -0.008 nan 8.230 nan 0.000 0.493 368 T N -1.332 113.241 114.554 0.031 0.000 3.111 368 T HA 0.237 4.581 4.350 -0.009 0.000 0.236 368 T C -0.689 174.011 174.700 0.000 0.000 0.984 368 T CA 0.520 62.626 62.100 0.009 0.000 1.195 368 T CB -0.556 68.315 68.868 0.005 0.000 0.929 368 T HN 0.259 nan 8.240 nan 0.000 0.431 369 P HA 0.017 nan 4.420 nan 0.000 0.203 369 P C 1.055 178.349 177.300 -0.011 0.000 0.968 369 P CA 1.155 64.250 63.100 -0.008 0.000 0.904 369 P CB -0.120 31.576 31.700 -0.008 0.000 0.646 370 A N -1.973 120.838 122.820 -0.015 0.000 2.308 370 A HA 0.090 4.405 4.320 -0.009 0.000 0.217 370 A C 1.883 179.460 177.584 -0.011 0.000 1.216 370 A CA 0.455 52.480 52.037 -0.021 0.000 0.864 370 A CB -0.615 18.366 19.000 -0.031 0.000 0.902 370 A HN 0.017 nan 8.150 nan 0.000 0.499 371 K N -0.823 119.575 120.400 -0.002 0.000 2.365 371 K HA 0.121 4.435 4.320 -0.009 0.000 0.199 371 K C 0.423 177.026 176.600 0.006 0.000 1.045 371 K CA 0.956 57.245 56.287 0.004 0.000 0.962 371 K CB -0.107 32.400 32.500 0.012 0.000 0.759 371 K HN 0.361 nan 8.250 nan 0.000 0.469 372 L N -0.866 120.360 121.223 0.006 0.000 3.298 372 L HA 0.305 4.639 4.340 -0.009 0.000 0.296 372 L C -1.202 175.675 176.870 0.012 0.000 1.237 372 L CA -0.185 54.661 54.840 0.011 0.000 1.038 372 L CB 1.592 43.661 42.059 0.017 0.000 1.423 372 L HN -0.290 nan 8.230 nan 0.000 0.605 373 V N 1.006 120.920 119.914 0.001 0.000 3.012 373 V HA 0.647 4.761 4.120 -0.009 0.000 0.307 373 V C -1.423 174.656 176.094 -0.026 0.000 1.166 373 V CA -0.705 61.594 62.300 -0.002 0.000 0.974 373 V CB 2.727 34.556 31.823 0.010 0.000 1.040 373 V HN 0.412 nan 8.190 nan 0.000 0.428 374 N N 1.281 119.962 118.700 -0.032 0.000 2.521 374 N HA 0.197 4.931 4.740 -0.009 0.000 0.269 374 N C -0.140 175.340 175.510 -0.050 0.000 1.079 374 N CA -0.376 52.644 53.050 -0.050 0.000 0.980 374 N CB 1.727 40.192 38.487 -0.038 0.000 1.667 374 N HN 0.311 nan 8.380 nan 0.000 0.498 375 S N 1.319 116.978 115.700 -0.070 0.000 2.428 375 S HA -0.095 4.369 4.470 -0.009 0.000 0.230 375 S C 1.634 176.213 174.600 -0.035 0.000 1.014 375 S CA 0.650 58.817 58.200 -0.055 0.000 0.957 375 S CB -0.195 62.959 63.200 -0.078 0.000 0.784 375 S HN 0.653 nan 8.310 nan 0.000 0.499 376 R N 1.949 122.431 120.500 -0.030 0.000 2.178 376 R HA -0.153 4.181 4.340 -0.009 0.000 0.257 376 R C -1.086 175.204 176.300 -0.017 0.000 1.163 376 R CA 1.963 58.054 56.100 -0.016 0.000 0.981 376 R CB -1.410 28.881 30.300 -0.014 0.000 0.878 376 R HN 0.362 nan 8.270 nan 0.000 0.454 377 P HA -0.084 nan 4.420 nan 0.000 0.214 377 P C 1.075 178.344 177.300 -0.052 0.000 1.162 377 P CA 0.779 63.855 63.100 -0.039 0.000 0.871 377 P CB -0.005 31.664 31.700 -0.051 0.000 0.783 378 L N -0.437 120.743 121.223 -0.071 0.000 2.156 378 L HA -0.081 4.254 4.340 -0.009 0.000 0.208 378 L C 2.239 179.082 176.870 -0.045 0.000 1.095 378 L CA 1.730 56.511 54.840 -0.099 0.000 0.770 378 L CB -0.784 41.194 42.059 -0.135 0.000 0.914 378 L HN -0.134 nan 8.230 nan 0.000 0.439 379 E N -0.986 119.204 120.200 -0.016 0.000 2.208 379 E HA -0.100 4.245 4.350 -0.009 0.000 0.193 379 E C 1.943 178.557 176.600 0.023 0.000 0.988 379 E CA 1.016 57.425 56.400 0.015 0.000 0.828 379 E CB 0.023 29.741 29.700 0.030 0.000 0.763 379 E HN 0.501 nan 8.360 nan 0.000 0.478 380 A N -0.278 122.552 122.820 0.016 0.000 2.220 380 A HA 0.429 4.743 4.320 -0.009 0.000 0.211 380 A C 1.943 179.551 177.584 0.040 0.000 1.176 380 A CA 0.736 52.790 52.037 0.029 0.000 0.834 380 A CB -0.028 18.985 19.000 0.022 0.000 0.868 380 A HN 0.317 nan 8.150 nan 0.000 0.488 381 A N 0.714 123.549 122.820 0.026 0.000 1.838 381 A HA 0.093 4.407 4.320 -0.009 0.000 0.215 381 A C 1.908 179.552 177.584 0.101 0.000 1.273 381 A CA 1.178 53.240 52.037 0.042 0.000 0.602 381 A CB -0.851 18.145 19.000 -0.006 0.000 0.934 381 A HN 0.340 nan 8.150 nan 0.000 0.461 382 I N -0.068 120.557 120.570 0.091 0.000 2.113 382 I HA -0.386 3.779 4.170 -0.009 0.000 0.242 382 I C 2.716 178.972 176.117 0.232 0.000 1.057 382 I CA 2.285 63.691 61.300 0.176 0.000 1.314 382 I CB -0.384 37.666 38.000 0.083 0.000 1.022 382 I HN 0.518 nan 8.210 nan 0.000 0.408 383 R N 1.475 122.041 120.500 0.110 0.000 2.154 383 R HA -0.261 4.073 4.340 -0.009 0.000 0.248 383 R C 2.013 178.408 176.300 0.158 0.000 1.155 383 R CA 2.151 58.309 56.100 0.097 0.000 0.979 383 R CB -0.521 29.814 30.300 0.058 0.000 0.869 383 R HN 0.474 nan 8.270 nan 0.000 0.452 384 E N -1.212 119.090 120.200 0.171 0.000 2.482 384 E HA -0.126 4.219 4.350 -0.009 0.000 0.196 384 E C 0.907 177.649 176.600 0.236 0.000 1.047 384 E CA 0.345 56.844 56.400 0.165 0.000 0.869 384 E CB -0.001 29.778 29.700 0.131 0.000 0.836 384 E HN 0.472 nan 8.360 nan 0.000 0.520 385 F N -0.150 119.910 119.950 0.184 0.000 2.208 385 F HA 0.060 4.581 4.527 -0.009 0.000 0.282 385 F C 1.280 177.242 175.800 0.270 0.000 1.071 385 F CA 0.547 58.680 58.000 0.222 0.000 1.228 385 F CB -0.432 38.740 39.000 0.287 0.000 1.088 385 F HN -0.083 nan 8.300 nan 0.000 0.512 386 F N 1.072 121.002 119.950 -0.034 0.000 2.605 386 F HA -0.064 4.457 4.527 -0.009 0.000 0.296 386 F C 2.265 178.013 175.800 -0.086 0.000 1.146 386 F CA 0.972 58.895 58.000 -0.128 0.000 1.478 386 F CB -1.013 37.986 39.000 -0.002 0.000 1.107 386 F HN 0.219 nan 8.300 nan 0.000 0.600 387 S N -1.941 113.821 115.700 0.103 0.000 3.019 387 S HA 0.181 4.646 4.470 -0.009 0.000 0.258 387 S C 1.590 176.218 174.600 0.045 0.000 1.082 387 S CA -0.389 57.862 58.200 0.085 0.000 0.836 387 S CB 0.239 63.501 63.200 0.105 0.000 0.834 387 S HN 0.146 nan 8.310 nan 0.000 0.457 388 R N 1.991 122.517 120.500 0.042 0.000 2.365 388 R HA 0.453 4.788 4.340 -0.009 0.000 0.223 388 R C 0.669 176.975 176.300 0.010 0.000 0.899 388 R CA 0.245 56.366 56.100 0.035 0.000 1.059 388 R CB 0.444 30.779 30.300 0.059 0.000 1.086 388 R HN 0.452 nan 8.270 nan 0.000 0.522 389 S N 0.001 115.671 115.700 -0.050 0.000 2.566 389 S HA -0.106 4.358 4.470 -0.009 0.000 0.280 389 S C 1.139 175.703 174.600 -0.059 0.000 1.343 389 S CA -0.089 58.074 58.200 -0.063 0.000 1.036 389 S CB 1.055 64.024 63.200 -0.385 0.000 0.866 389 S HN 0.417 nan 8.310 nan 0.000 0.526 390 Q N 1.866 121.669 119.800 0.005 0.000 2.020 390 Q HA 0.002 4.336 4.340 -0.009 0.000 0.198 390 Q C 1.311 177.303 176.000 -0.012 0.000 0.974 390 Q CA 0.958 56.763 55.803 0.003 0.000 0.829 390 Q CB -0.197 28.559 28.738 0.031 0.000 0.894 390 Q HN 0.709 nan 8.270 nan 0.000 0.433 391 L N 1.418 122.647 121.223 0.009 0.000 2.933 391 L HA 0.137 4.471 4.340 -0.009 0.000 0.258 391 L C -0.771 176.059 176.870 -0.066 0.000 1.253 391 L CA 0.582 55.427 54.840 0.008 0.000 1.096 391 L CB -0.206 41.904 42.059 0.085 0.000 1.432 391 L HN 0.018 nan 8.230 nan 0.000 0.418 392 S N 0.765 116.406 115.700 -0.099 0.000 2.737 392 S HA 0.526 4.991 4.470 -0.009 0.000 0.269 392 S C -0.858 173.726 174.600 -0.027 0.000 1.150 392 S CA -0.710 57.413 58.200 -0.129 0.000 1.077 392 S CB 0.593 63.593 63.200 -0.333 0.000 1.075 392 S HN 0.575 nan 8.310 nan 0.000 0.476 393 Q N 4.077 123.909 119.800 0.053 0.000 2.484 393 Q HA 0.508 4.843 4.340 -0.009 0.000 0.285 393 Q C -0.895 175.197 176.000 0.154 0.000 1.097 393 Q CA -1.005 54.845 55.803 0.078 0.000 0.802 393 Q CB 0.911 29.677 28.738 0.046 0.000 1.444 393 Q HN 0.594 nan 8.270 nan 0.000 0.429 394 F N 1.317 121.211 119.950 -0.093 0.000 2.635 394 F HA -0.054 4.467 4.527 -0.009 0.000 0.379 394 F C 1.154 176.777 175.800 -0.295 0.000 1.094 394 F CA -0.082 57.837 58.000 -0.135 0.000 1.300 394 F CB 0.461 39.407 39.000 -0.091 0.000 1.035 394 F HN 0.478 nan 8.300 nan 0.000 0.581 395 K N 3.367 123.703 120.400 -0.106 0.000 2.395 395 K HA -0.087 4.227 4.320 -0.009 0.000 0.283 395 K C -0.184 176.270 176.600 -0.244 0.000 1.068 395 K CA -0.370 55.750 56.287 -0.279 0.000 1.039 395 K CB 0.112 32.514 32.500 -0.163 0.000 0.924 395 K HN 0.440 nan 8.250 nan 0.000 0.468 396 D N 5.269 125.429 120.400 -0.401 0.000 2.542 396 D HA -0.080 4.554 4.640 -0.009 0.000 0.242 396 D C -0.646 175.583 176.300 -0.118 0.000 1.207 396 D CA 0.143 54.031 54.000 -0.188 0.000 1.172 396 D CB 0.063 40.802 40.800 -0.102 0.000 1.126 396 D HN 0.525 nan 8.370 nan 0.000 0.500 397 E N 1.151 121.281 120.200 -0.116 0.000 2.731 397 E HA 0.170 4.514 4.350 -0.009 0.000 0.220 397 E C 0.328 176.845 176.600 -0.138 0.000 1.087 397 E CA -0.478 55.860 56.400 -0.104 0.000 1.020 397 E CB 0.407 30.053 29.700 -0.089 0.000 1.339 397 E HN 0.129 nan 8.360 nan 0.000 0.444 398 T N 0.767 115.212 114.554 -0.182 0.000 2.985 398 T HA -0.078 4.266 4.350 -0.009 0.000 0.266 398 T C 0.360 174.964 174.700 -0.161 0.000 1.076 398 T CA 1.041 62.963 62.100 -0.296 0.000 1.135 398 T CB -0.390 68.264 68.868 -0.356 0.000 0.890 398 T HN 0.634 nan 8.240 nan 0.000 0.480 399 N N -1.280 117.361 118.700 -0.098 0.000 3.171 399 N HA 0.250 4.984 4.740 -0.009 0.000 0.239 399 N C -3.110 172.377 175.510 -0.038 0.000 1.275 399 N CA -1.384 51.633 53.050 -0.054 0.000 0.920 399 N CB 0.869 39.338 38.487 -0.029 0.000 1.554 399 N HN -0.335 nan 8.380 nan 0.000 0.504 400 P HA -0.294 nan 4.420 nan 0.000 0.224 400 P C 1.442 178.733 177.300 -0.014 0.000 1.153 400 P CA 1.501 64.589 63.100 -0.020 0.000 0.947 400 P CB 0.108 31.803 31.700 -0.009 0.000 0.790 401 L N -0.795 120.425 121.223 -0.006 0.000 2.012 401 L HA -0.157 4.177 4.340 -0.009 0.000 0.210 401 L C 2.453 179.322 176.870 -0.002 0.000 1.073 401 L CA 2.248 57.087 54.840 -0.002 0.000 0.748 401 L CB -1.668 40.394 42.059 0.006 0.000 0.891 401 L HN -0.078 nan 8.230 nan 0.000 0.431 402 S N -1.162 114.533 115.700 -0.007 0.000 2.392 402 S HA -0.235 4.230 4.470 -0.009 0.000 0.232 402 S C 2.126 176.738 174.600 0.020 0.000 1.041 402 S CA 1.923 60.121 58.200 -0.003 0.000 1.026 402 S CB -0.441 62.737 63.200 -0.036 0.000 0.845 402 S HN 0.844 nan 8.310 nan 0.000 0.465 403 S N 0.613 116.314 115.700 0.002 0.000 2.421 403 S HA 0.084 4.548 4.470 -0.009 0.000 0.224 403 S C 1.759 176.376 174.600 0.028 0.000 1.035 403 S CA 0.679 58.890 58.200 0.018 0.000 0.953 403 S CB -0.716 62.467 63.200 -0.028 0.000 0.810 403 S HN 0.415 nan 8.310 nan 0.000 0.497 404 L N 1.895 123.119 121.223 0.001 0.000 2.189 404 L HA 0.060 4.395 4.340 -0.009 0.000 0.214 404 L C 2.356 179.221 176.870 -0.009 0.000 1.097 404 L CA 1.728 56.562 54.840 -0.011 0.000 0.764 404 L CB -0.543 41.505 42.059 -0.017 0.000 0.900 404 L HN 0.362 nan 8.230 nan 0.000 0.436 405 R N -2.419 118.085 120.500 0.006 0.000 2.335 405 R HA -0.053 4.282 4.340 -0.009 0.000 0.210 405 R C 1.940 178.229 176.300 -0.018 0.000 0.892 405 R CA 0.115 56.210 56.100 -0.009 0.000 1.048 405 R CB -0.214 30.083 30.300 -0.006 0.000 1.067 405 R HN 0.538 nan 8.270 nan 0.000 0.524 406 H N 0.571 119.615 119.070 -0.043 0.000 2.535 406 H HA 0.062 4.612 4.556 -0.009 0.000 0.273 406 H C 0.839 176.131 175.328 -0.060 0.000 0.983 406 H CA 1.006 57.027 56.048 -0.045 0.000 1.238 406 H CB 0.687 30.425 29.762 -0.041 0.000 1.412 406 H HN 0.007 nan 8.280 nan 0.000 0.562 407 K N 0.581 120.977 120.400 -0.005 0.000 2.137 407 K HA -0.016 4.299 4.320 -0.009 0.000 0.202 407 K C 1.159 177.702 176.600 -0.095 0.000 1.052 407 K CA 0.678 56.933 56.287 -0.053 0.000 0.961 407 K CB 0.261 32.727 32.500 -0.055 0.000 0.741 407 K HN 0.261 nan 8.250 nan 0.000 0.452 408 R N 0.770 121.221 120.500 -0.081 0.000 4.048 408 R HA 0.224 4.559 4.340 -0.009 0.000 0.290 408 R C -0.478 175.769 176.300 -0.087 0.000 1.519 408 R CA -0.363 55.692 56.100 -0.074 0.000 1.446 408 R CB 0.086 30.356 30.300 -0.050 0.000 1.455 408 R HN -0.145 nan 8.270 nan 0.000 0.706 409 R N 2.027 122.447 120.500 -0.134 0.000 2.393 409 R HA 0.362 4.697 4.340 -0.009 0.000 0.315 409 R C -1.008 175.222 176.300 -0.118 0.000 0.952 409 R CA -0.591 55.423 56.100 -0.143 0.000 0.842 409 R CB 0.962 31.118 30.300 -0.241 0.000 1.163 409 R HN 0.386 nan 8.270 nan 0.000 0.450 410 I N 3.273 123.794 120.570 -0.083 0.000 2.304 410 I HA 0.165 4.329 4.170 -0.009 0.000 0.291 410 I C 0.121 176.202 176.117 -0.060 0.000 1.018 410 I CA -0.288 60.973 61.300 -0.066 0.000 1.260 410 I CB 1.728 39.698 38.000 -0.050 0.000 1.390 410 I HN 0.532 nan 8.210 nan 0.000 0.475 411 S N 4.348 120.017 115.700 -0.050 0.000 2.532 411 S HA 0.668 5.133 4.470 -0.009 0.000 0.301 411 S C 0.626 175.219 174.600 -0.011 0.000 1.083 411 S CA -0.295 57.886 58.200 -0.033 0.000 1.025 411 S CB 1.928 65.109 63.200 -0.033 0.000 1.056 411 S HN 0.684 nan 8.310 nan 0.000 0.494 412 A N 3.282 126.103 122.820 0.001 0.000 2.195 412 A HA 0.356 4.671 4.320 -0.009 0.000 0.210 412 A C 0.294 177.899 177.584 0.033 0.000 1.165 412 A CA 0.088 52.139 52.037 0.023 0.000 0.806 412 A CB -0.442 18.575 19.000 0.028 0.000 0.847 412 A HN 0.640 nan 8.150 nan 0.000 0.482 413 L N 0.506 121.743 121.223 0.023 0.000 2.513 413 L HA 0.448 4.783 4.340 -0.009 0.000 0.272 413 L C 0.885 177.784 176.870 0.047 0.000 1.187 413 L CA 1.039 55.896 54.840 0.029 0.000 0.895 413 L CB 0.274 42.344 42.059 0.017 0.000 1.147 413 L HN 0.282 nan 8.230 nan 0.000 0.483 414 G N 2.674 111.507 108.800 0.056 0.000 2.870 414 G HA2 0.496 4.451 3.960 -0.009 0.000 0.299 414 G HA3 0.496 4.451 3.960 -0.009 0.000 0.299 414 G C -2.232 172.710 174.900 0.070 0.000 1.324 414 G CA -0.559 44.587 45.100 0.077 0.000 0.808 414 G HN 0.378 nan 8.290 nan 0.000 0.535 415 P HA 0.024 nan 4.420 nan 0.000 0.225 415 P C 1.414 178.734 177.300 0.033 0.000 1.141 415 P CA 2.278 65.414 63.100 0.061 0.000 0.774 415 P CB 0.109 31.843 31.700 0.056 0.000 0.760 416 G N -2.303 106.512 108.800 0.025 0.000 2.284 416 G HA2 -0.264 3.690 3.960 -0.009 0.000 0.247 416 G HA3 -0.264 3.690 3.960 -0.009 0.000 0.247 416 G C 1.193 176.081 174.900 -0.019 0.000 1.012 416 G CA 0.133 45.236 45.100 0.004 0.000 0.618 416 G HN 0.534 nan 8.290 nan 0.000 0.521 417 G N -0.581 108.209 108.800 -0.016 0.000 2.838 417 G HA2 0.470 4.425 3.960 -0.009 0.000 0.210 417 G HA3 0.470 4.425 3.960 -0.009 0.000 0.210 417 G C 0.339 175.223 174.900 -0.026 0.000 1.153 417 G CA 0.631 45.705 45.100 -0.044 0.000 0.778 417 G HN 0.509 nan 8.290 nan 0.000 0.539 418 L N 0.846 122.075 121.223 0.009 0.000 2.406 418 L HA 0.379 4.714 4.340 -0.009 0.000 0.272 418 L C 0.377 177.285 176.870 0.062 0.000 0.980 418 L CA -0.351 54.519 54.840 0.050 0.000 0.831 418 L CB 0.550 42.666 42.059 0.095 0.000 1.253 418 L HN 0.100 nan 8.230 nan 0.000 0.406 419 T N 3.724 118.314 114.554 0.061 0.000 2.528 419 T HA -0.178 4.166 4.350 -0.009 0.000 0.498 419 T C 1.127 175.849 174.700 0.036 0.000 0.801 419 T CA 0.486 62.617 62.100 0.052 0.000 2.620 419 T CB -0.475 68.433 68.868 0.067 0.000 1.643 419 T HN 0.788 nan 8.240 nan 0.000 0.454 420 R N 3.063 123.576 120.500 0.020 0.000 3.141 420 R HA 0.273 4.607 4.340 -0.009 0.000 0.244 420 R C 1.292 177.600 176.300 0.014 0.000 1.161 420 R CA -0.058 56.049 56.100 0.012 0.000 1.091 420 R CB -0.115 30.185 30.300 0.000 0.000 0.957 420 R HN 0.508 nan 8.270 nan 0.000 0.512 421 E N 0.326 120.530 120.200 0.006 0.000 2.250 421 E HA 0.026 4.371 4.350 -0.009 0.000 0.192 421 E C 2.029 178.629 176.600 0.000 0.000 0.986 421 E CA 0.421 56.822 56.400 0.002 0.000 0.849 421 E CB 0.113 29.811 29.700 -0.004 0.000 0.797 421 E HN 0.395 nan 8.360 nan 0.000 0.482 422 R N 0.717 121.219 120.500 0.003 0.000 2.096 422 R HA -0.018 4.316 4.340 -0.009 0.000 0.235 422 R C 1.203 177.515 176.300 0.019 0.000 1.127 422 R CA 0.919 57.023 56.100 0.007 0.000 0.968 422 R CB -0.208 30.097 30.300 0.007 0.000 0.861 422 R HN -0.067 nan 8.270 nan 0.000 0.440 423 A N -0.230 122.605 122.820 0.026 0.000 2.322 423 A HA 0.534 4.849 4.320 -0.009 0.000 0.269 423 A C 0.818 178.431 177.584 0.049 0.000 1.094 423 A CA 0.337 52.401 52.037 0.044 0.000 0.807 423 A CB 1.002 20.027 19.000 0.042 0.000 1.047 423 A HN 0.364 nan 8.150 nan 0.000 0.487 424 G N -0.544 108.305 108.800 0.080 0.000 4.373 424 G HA2 -0.119 3.835 3.960 -0.009 0.000 0.195 424 G HA3 -0.119 3.835 3.960 -0.009 0.000 0.195 424 G C 1.111 176.113 174.900 0.170 0.000 1.377 424 G CA 0.407 45.560 45.100 0.089 0.000 0.858 424 G HN 0.645 nan 8.290 nan 0.000 0.307 425 F N 2.536 122.501 119.950 0.025 0.000 2.064 425 F HA -0.334 4.188 4.527 -0.009 0.000 0.293 425 F C 2.741 178.562 175.800 0.035 0.000 1.086 425 F CA 2.666 60.683 58.000 0.028 0.000 1.242 425 F CB 0.263 39.277 39.000 0.024 0.000 0.970 425 F HN 0.419 nan 8.300 nan 0.000 0.494 426 D N -0.668 119.872 120.400 0.234 0.000 2.271 426 D HA -0.082 4.552 4.640 -0.009 0.000 0.206 426 D C 1.865 178.230 176.300 0.108 0.000 0.967 426 D CA 1.232 55.294 54.000 0.103 0.000 0.867 426 D CB -0.760 40.060 40.800 0.034 0.000 0.960 426 D HN 0.290 nan 8.370 nan 0.000 0.509 427 V N 1.200 121.185 119.914 0.119 0.000 2.358 427 V HA -0.158 3.956 4.120 -0.009 0.000 0.246 427 V C 2.693 178.870 176.094 0.139 0.000 1.047 427 V CA 1.446 63.809 62.300 0.106 0.000 1.035 427 V CB -0.779 31.099 31.823 0.090 0.000 0.658 427 V HN 0.083 nan 8.190 nan 0.000 0.452 428 R N 0.381 120.970 120.500 0.148 0.000 2.152 428 R HA -0.070 4.265 4.340 -0.009 0.000 0.232 428 R C 0.577 176.979 176.300 0.169 0.000 1.117 428 R CA 0.779 56.965 56.100 0.143 0.000 0.981 428 R CB -0.385 30.000 30.300 0.143 0.000 0.870 428 R HN 0.579 nan 8.270 nan 0.000 0.451 429 D N 0.342 120.855 120.400 0.188 0.000 2.362 429 D HA -0.025 4.609 4.640 -0.009 0.000 0.238 429 D C -0.285 176.157 176.300 0.237 0.000 1.212 429 D CA 0.129 54.237 54.000 0.181 0.000 0.902 429 D CB 1.191 42.077 40.800 0.143 0.000 1.180 429 D HN -0.161 nan 8.370 nan 0.000 0.445 430 V N 2.714 122.771 119.914 0.239 0.000 2.304 430 V HA 0.057 4.171 4.120 -0.009 0.000 0.262 430 V C 0.092 176.321 176.094 0.226 0.000 1.061 430 V CA -0.380 62.139 62.300 0.364 0.000 0.872 430 V CB -0.080 31.915 31.823 0.287 0.000 1.077 430 V HN 0.442 nan 8.190 nan 0.000 0.480 431 H N 6.236 125.223 119.070 -0.139 0.000 2.815 431 H HA 0.196 4.746 4.556 -0.009 0.000 0.389 431 H C 1.461 176.634 175.328 -0.257 0.000 1.585 431 H CA 0.587 56.452 56.048 -0.305 0.000 1.472 431 H CB 0.875 30.326 29.762 -0.519 0.000 1.519 431 H HN 0.625 nan 8.280 nan 0.000 0.603 432 R N 0.546 120.631 120.500 -0.692 0.000 2.148 432 R HA -0.031 4.303 4.340 -0.009 0.000 0.223 432 R C 1.888 177.995 176.300 -0.322 0.000 1.088 432 R CA 1.193 57.028 56.100 -0.442 0.000 0.985 432 R CB -1.001 29.000 30.300 -0.497 0.000 0.880 432 R HN 0.514 nan 8.270 nan 0.000 0.451 433 T N 0.797 115.086 114.554 -0.441 0.000 2.985 433 T HA -0.037 4.307 4.350 -0.009 0.000 0.266 433 T C 0.694 175.414 174.700 0.033 0.000 1.076 433 T CA 0.633 62.577 62.100 -0.260 0.000 1.135 433 T CB -0.281 68.301 68.868 -0.477 0.000 0.890 433 T HN 0.509 nan 8.240 nan 0.000 0.480 434 H N 0.079 119.217 119.070 0.114 0.000 3.543 434 H HA 0.044 4.595 4.556 -0.009 0.000 0.270 434 H C -0.399 175.048 175.328 0.198 0.000 1.056 434 H CA -0.264 55.875 56.048 0.152 0.000 1.232 434 H CB -0.830 29.018 29.762 0.142 0.000 1.294 434 H HN 0.375 nan 8.280 nan 0.000 0.729 435 Y N 0.323 120.726 120.300 0.173 0.000 2.417 435 Y HA 0.351 4.895 4.550 -0.009 0.000 0.336 435 Y C 0.982 176.985 175.900 0.171 0.000 0.961 435 Y CA -0.072 58.119 58.100 0.152 0.000 1.215 435 Y CB 0.528 39.056 38.460 0.114 0.000 1.120 435 Y HN 0.391 nan 8.280 nan 0.000 0.499 436 G N 4.689 113.479 108.800 -0.017 0.000 2.159 436 G HA2 -0.285 3.669 3.960 -0.009 0.000 0.256 436 G HA3 -0.285 3.669 3.960 -0.009 0.000 0.256 436 G C 0.881 175.878 174.900 0.163 0.000 0.977 436 G CA 0.644 45.764 45.100 0.033 0.000 0.652 436 G HN 0.657 nan 8.290 nan 0.000 0.531 437 R N -1.230 119.383 120.500 0.189 0.000 2.428 437 R HA 0.507 4.841 4.340 -0.009 0.000 0.193 437 R C 0.614 177.003 176.300 0.147 0.000 0.852 437 R CA 0.338 56.557 56.100 0.198 0.000 1.055 437 R CB 0.977 31.427 30.300 0.250 0.000 1.343 437 R HN 0.393 nan 8.270 nan 0.000 0.655 438 I N 0.840 121.499 120.570 0.149 0.000 2.569 438 I HA 0.162 4.326 4.170 -0.009 0.000 0.290 438 I C -0.579 175.586 176.117 0.080 0.000 1.088 438 I CA -0.978 60.353 61.300 0.051 0.000 1.047 438 I CB 2.781 40.697 38.000 -0.140 0.000 1.237 438 I HN 0.152 nan 8.210 nan 0.000 0.421 439 C N 8.370 127.707 119.300 0.063 0.000 2.634 439 C HA 0.181 4.635 4.460 -0.009 0.000 0.418 439 C C -1.191 173.853 174.990 0.090 0.000 1.373 439 C CA -0.751 58.334 59.018 0.112 0.000 1.756 439 C CB 0.180 27.968 27.740 0.079 0.000 2.589 439 C HN 0.586 nan 8.230 nan 0.000 0.602 440 P HA -0.000 nan 4.420 nan 0.000 0.227 440 P C 1.209 178.543 177.300 0.056 0.000 1.161 440 P CA 0.757 63.937 63.100 0.133 0.000 0.788 440 P CB 0.194 32.014 31.700 0.200 0.000 0.822 441 V N -0.625 119.286 119.914 -0.006 0.000 2.627 441 V HA -0.042 4.073 4.120 -0.009 0.000 0.239 441 V C 2.241 178.312 176.094 -0.038 0.000 1.077 441 V CA 0.879 63.148 62.300 -0.052 0.000 1.103 441 V CB -1.043 30.687 31.823 -0.155 0.000 0.802 441 V HN 0.034 nan 8.190 nan 0.000 0.482 442 E N 0.647 120.823 120.200 -0.040 0.000 2.370 442 E HA -0.211 4.134 4.350 -0.009 0.000 0.205 442 E C 0.648 177.235 176.600 -0.021 0.000 1.037 442 E CA 1.101 57.483 56.400 -0.029 0.000 0.845 442 E CB -0.246 29.444 29.700 -0.015 0.000 0.753 442 E HN 0.562 nan 8.360 nan 0.000 0.507 443 T N 2.757 117.301 114.554 -0.017 0.000 2.928 443 T HA 0.093 4.437 4.350 -0.009 0.000 0.305 443 T C -2.263 172.431 174.700 -0.011 0.000 1.035 443 T CA -1.072 61.019 62.100 -0.015 0.000 1.145 443 T CB 0.972 69.835 68.868 -0.009 0.000 0.963 443 T HN 0.069 nan 8.240 nan 0.000 0.545 444 P HA 0.202 nan 4.420 nan 0.000 0.271 444 P C 0.004 177.302 177.300 -0.004 0.000 1.233 444 P CA -0.348 62.748 63.100 -0.006 0.000 0.789 444 P CB 0.568 32.265 31.700 -0.005 0.000 0.951 445 E N 0.486 120.684 120.200 -0.003 0.000 2.322 445 E HA 0.586 4.931 4.350 -0.009 0.000 0.257 445 E C 0.137 176.732 176.600 -0.007 0.000 1.155 445 E CA 0.213 56.611 56.400 -0.003 0.000 0.936 445 E CB 0.238 29.937 29.700 -0.002 0.000 1.130 445 E HN 0.673 nan 8.360 nan 0.000 0.465 446 G N -0.209 108.585 108.800 -0.010 0.000 2.661 446 G HA2 0.032 3.987 3.960 -0.009 0.000 0.685 446 G HA3 0.032 3.987 3.960 -0.009 0.000 0.685 446 G C 0.633 175.521 174.900 -0.021 0.000 1.298 446 G CA 0.091 45.181 45.100 -0.015 0.000 0.855 446 G HN 0.947 nan 8.290 nan 0.000 0.560 447 A N -0.208 122.596 122.820 -0.026 0.000 2.104 447 A HA -0.123 4.192 4.320 -0.009 0.000 0.223 447 A C 1.361 178.927 177.584 -0.031 0.000 1.164 447 A CA 2.103 54.120 52.037 -0.034 0.000 0.659 447 A CB -0.284 18.696 19.000 -0.034 0.000 0.808 447 A HN 0.803 nan 8.150 nan 0.000 0.465 448 N N 0.251 118.938 118.700 -0.022 0.000 2.558 448 N HA 0.500 5.235 4.740 -0.009 0.000 0.233 448 N C -1.382 174.121 175.510 -0.012 0.000 1.038 448 N CA 0.150 53.190 53.050 -0.017 0.000 0.934 448 N CB 0.386 38.865 38.487 -0.014 0.000 1.175 448 N HN 0.331 nan 8.380 nan 0.000 0.512 449 I N -0.358 120.206 120.570 -0.010 0.000 2.656 449 I HA 0.233 4.398 4.170 -0.009 0.000 0.292 449 I C 0.922 177.046 176.117 0.011 0.000 1.144 449 I CA -0.744 60.556 61.300 -0.000 0.000 1.038 449 I CB 2.199 40.201 38.000 0.003 0.000 1.244 449 I HN 0.528 nan 8.210 nan 0.000 0.420 450 G N 4.316 113.123 108.800 0.013 0.000 2.168 450 G HA2 -0.248 3.706 3.960 -0.009 0.000 0.257 450 G HA3 -0.248 3.706 3.960 -0.009 0.000 0.257 450 G C 0.450 175.358 174.900 0.014 0.000 0.997 450 G CA 0.720 45.834 45.100 0.022 0.000 0.708 450 G HN 0.562 nan 8.290 nan 0.000 0.520 451 L N -1.190 120.033 121.223 0.001 0.000 2.547 451 L HA 0.402 4.737 4.340 -0.009 0.000 0.218 451 L C 1.121 177.983 176.870 -0.013 0.000 1.048 451 L CA 0.447 55.287 54.840 0.000 0.000 0.859 451 L CB 0.247 42.306 42.059 0.000 0.000 1.128 451 L HN 0.249 nan 8.230 nan 0.000 0.483 452 I N -0.580 119.977 120.570 -0.022 0.000 2.557 452 I HA 0.241 4.406 4.170 -0.009 0.000 0.277 452 I C 0.187 176.279 176.117 -0.043 0.000 1.106 452 I CA -0.009 61.269 61.300 -0.036 0.000 1.180 452 I CB 1.039 39.017 38.000 -0.036 0.000 1.392 452 I HN -0.127 nan 8.210 nan 0.000 0.506 453 T N 2.582 117.104 114.554 -0.053 0.000 2.852 453 T HA 0.605 4.950 4.350 -0.009 0.000 0.281 453 T C 0.146 174.810 174.700 -0.060 0.000 0.993 453 T CA -0.225 61.837 62.100 -0.063 0.000 0.933 453 T CB 1.136 69.941 68.868 -0.106 0.000 1.187 453 T HN 0.517 nan 8.240 nan 0.000 0.559 454 S N 0.480 116.149 115.700 -0.050 0.000 2.569 454 S HA 0.616 5.080 4.470 -0.009 0.000 0.280 454 S C -1.271 173.321 174.600 -0.013 0.000 1.111 454 S CA -0.809 57.370 58.200 -0.035 0.000 0.887 454 S CB 1.348 64.532 63.200 -0.026 0.000 1.095 454 S HN 0.794 nan 8.310 nan 0.000 0.476 455 L N 0.861 122.085 121.223 0.001 0.000 2.325 455 L HA 0.949 5.283 4.340 -0.009 0.000 0.279 455 L C 0.403 177.306 176.870 0.054 0.000 1.054 455 L CA -0.737 54.123 54.840 0.033 0.000 0.804 455 L CB -0.120 41.962 42.059 0.038 0.000 1.200 455 L HN 0.751 nan 8.230 nan 0.000 0.436 456 A N 2.505 125.372 122.820 0.079 0.000 2.632 456 A HA 0.328 4.642 4.320 -0.009 0.000 0.229 456 A C 1.668 179.310 177.584 0.097 0.000 1.047 456 A CA 0.602 52.692 52.037 0.089 0.000 0.754 456 A CB -0.472 18.573 19.000 0.074 0.000 0.969 456 A HN 1.475 nan 8.150 nan 0.000 0.509 457 A N 1.450 124.338 122.820 0.113 0.000 1.884 457 A HA -0.161 4.154 4.320 -0.009 0.000 0.219 457 A C 1.532 179.162 177.584 0.077 0.000 1.197 457 A CA 2.166 54.261 52.037 0.096 0.000 0.637 457 A CB -0.847 18.245 19.000 0.154 0.000 0.827 457 A HN 0.923 nan 8.150 nan 0.000 0.450 458 Y N -0.177 120.130 120.300 0.012 0.000 2.470 458 Y HA 0.490 5.035 4.550 -0.009 0.000 0.302 458 Y C 1.207 177.200 175.900 0.155 0.000 1.194 458 Y CA -0.238 57.897 58.100 0.057 0.000 1.271 458 Y CB -0.666 37.787 38.460 -0.011 0.000 1.092 458 Y HN 0.384 nan 8.280 nan 0.000 0.513 459 A N 1.608 124.571 122.820 0.238 0.000 2.282 459 A HA 0.901 5.215 4.320 -0.009 0.000 0.319 459 A C 0.068 177.745 177.584 0.155 0.000 1.121 459 A CA -0.631 51.551 52.037 0.242 0.000 0.836 459 A CB 0.907 20.019 19.000 0.187 0.000 1.146 459 A HN 0.377 nan 8.150 nan 0.000 0.494 460 R N -0.058 120.519 120.500 0.128 0.000 2.664 460 R HA 0.478 4.812 4.340 -0.009 0.000 0.260 460 R C -2.167 174.140 176.300 0.012 0.000 1.062 460 R CA -0.704 55.408 56.100 0.020 0.000 0.902 460 R CB 0.520 30.778 30.300 -0.070 0.000 1.258 460 R HN 0.395 nan 8.270 nan 0.000 0.465 461 V N 3.241 123.152 119.914 -0.006 0.000 2.583 461 V HA 0.032 4.146 4.120 -0.009 0.000 0.287 461 V C 0.915 176.994 176.094 -0.025 0.000 1.051 461 V CA 0.200 62.499 62.300 -0.002 0.000 1.010 461 V CB 1.149 32.957 31.823 -0.026 0.000 0.988 461 V HN 0.966 nan 8.190 nan 0.000 0.478 462 D N 3.638 124.039 120.400 0.002 0.000 2.230 462 D HA -0.009 4.626 4.640 -0.009 0.000 0.274 462 D C 1.172 177.467 176.300 -0.009 0.000 1.222 462 D CA 0.284 54.277 54.000 -0.011 0.000 0.943 462 D CB 0.223 41.037 40.800 0.023 0.000 0.920 462 D HN 0.413 nan 8.370 nan 0.000 0.300 463 E N -0.787 119.419 120.200 0.009 0.000 2.216 463 E HA 0.194 4.539 4.350 -0.009 0.000 0.192 463 E C 0.035 176.640 176.600 0.008 0.000 0.973 463 E CA 0.029 56.432 56.400 0.006 0.000 0.851 463 E CB 0.607 30.305 29.700 -0.004 0.000 0.804 463 E HN 0.225 nan 8.360 nan 0.000 0.477 464 L N -0.628 120.596 121.223 0.002 0.000 2.727 464 L HA 0.305 4.640 4.340 -0.009 0.000 0.255 464 L C 0.172 176.793 176.870 -0.416 0.000 0.983 464 L CA 0.478 55.259 54.840 -0.098 0.000 0.945 464 L CB 1.213 43.263 42.059 -0.015 0.000 1.242 464 L HN 0.164 nan 8.230 nan 0.000 0.449 465 G N 2.691 111.262 108.800 -0.381 0.000 2.309 465 G HA2 -0.336 3.619 3.960 -0.009 0.000 0.286 465 G HA3 -0.336 3.619 3.960 -0.009 0.000 0.286 465 G C -0.130 174.350 174.900 -0.701 0.000 1.002 465 G CA 1.138 45.918 45.100 -0.534 0.000 0.786 465 G HN 0.367 nan 8.290 nan 0.000 0.511 466 F N 0.178 120.157 119.950 0.049 0.000 2.347 466 F HA 0.494 5.015 4.527 -0.009 0.000 0.366 466 F C 0.930 176.782 175.800 0.088 0.000 1.107 466 F CA -1.983 56.069 58.000 0.086 0.000 1.058 466 F CB 0.949 40.012 39.000 0.105 0.000 1.236 466 F HN -0.007 nan 8.300 nan 0.000 0.456 467 I N 4.897 125.601 120.570 0.222 0.000 2.680 467 I HA 0.054 4.219 4.170 -0.009 0.000 0.286 467 I C 0.581 176.844 176.117 0.242 0.000 1.144 467 I CA 0.485 61.897 61.300 0.187 0.000 1.370 467 I CB -0.095 38.003 38.000 0.164 0.000 1.420 467 I HN 0.525 nan 8.210 nan 0.000 0.540 468 R N 3.846 124.490 120.500 0.240 0.000 2.720 468 R HA 0.667 5.002 4.340 -0.009 0.000 0.272 468 R C -0.040 176.512 176.300 0.420 0.000 0.991 468 R CA -0.625 55.664 56.100 0.316 0.000 1.010 468 R CB 2.219 32.702 30.300 0.305 0.000 1.141 468 R HN 0.635 nan 8.270 nan 0.000 0.494 469 T N 0.415 115.264 114.554 0.492 0.000 2.883 469 T HA 0.533 4.878 4.350 -0.009 0.000 0.296 469 T C -2.804 171.991 174.700 0.158 0.000 1.117 469 T CA -2.435 59.915 62.100 0.417 0.000 1.006 469 T CB 2.105 71.188 68.868 0.358 0.000 1.191 469 T HN 0.198 nan 8.240 nan 0.000 0.508 470 P HA 0.422 nan 4.420 nan 0.000 0.281 470 P C -1.568 175.442 177.300 -0.484 0.000 1.252 470 P CA -0.134 62.568 63.100 -0.663 0.000 0.778 470 P CB 0.049 31.356 31.700 -0.655 0.000 0.895 471 Y N 1.813 122.051 120.300 -0.104 0.000 2.317 471 Y HA 0.245 4.789 4.550 -0.009 0.000 0.329 471 Y C 0.561 176.518 175.900 0.095 0.000 1.101 471 Y CA -0.881 57.252 58.100 0.055 0.000 1.228 471 Y CB 1.445 39.993 38.460 0.147 0.000 1.123 471 Y HN 0.261 nan 8.280 nan 0.000 0.457 472 R N 2.798 123.335 120.500 0.061 0.000 2.347 472 R HA 0.434 4.768 4.340 -0.009 0.000 0.304 472 R C -0.061 176.205 176.300 -0.056 0.000 1.072 472 R CA -0.771 55.330 56.100 0.002 0.000 0.980 472 R CB 1.035 31.303 30.300 -0.054 0.000 0.986 472 R HN 0.691 nan 8.270 nan 0.000 0.448 473 R N 2.131 122.459 120.500 -0.287 0.000 2.490 473 R HA 0.316 4.651 4.340 -0.009 0.000 0.278 473 R C -0.975 175.073 176.300 -0.419 0.000 1.069 473 R CA -0.715 54.927 56.100 -0.764 0.000 1.080 473 R CB 1.533 31.045 30.300 -1.314 0.000 1.030 473 R HN 0.498 nan 8.270 nan 0.000 0.491 474 V N 5.085 124.767 119.914 -0.386 0.000 2.376 474 V HA 0.325 4.439 4.120 -0.009 0.000 0.287 474 V C -0.838 175.142 176.094 -0.190 0.000 1.015 474 V CA -0.736 61.442 62.300 -0.204 0.000 0.834 474 V CB 1.613 33.370 31.823 -0.110 0.000 1.001 474 V HN 0.679 nan 8.190 nan 0.000 0.428 475 V N 8.084 127.905 119.914 -0.155 0.000 2.488 475 V HA 0.687 4.802 4.120 -0.009 0.000 0.277 475 V C 1.434 177.486 176.094 -0.070 0.000 1.046 475 V CA 0.832 63.064 62.300 -0.114 0.000 0.986 475 V CB 0.026 31.791 31.823 -0.096 0.000 0.989 475 V HN 1.536 nan 8.190 nan 0.000 0.475 476 G N 4.792 113.562 108.800 -0.049 0.000 2.581 476 G HA2 -0.182 3.773 3.960 -0.009 0.000 0.289 476 G HA3 -0.182 3.773 3.960 -0.009 0.000 0.289 476 G C 0.946 175.828 174.900 -0.031 0.000 1.303 476 G CA 0.023 45.106 45.100 -0.029 0.000 0.931 476 G HN 1.533 nan 8.290 nan 0.000 0.555 477 G N -1.013 107.774 108.800 -0.022 0.000 2.807 477 G HA2 0.356 4.311 3.960 -0.009 0.000 0.207 477 G HA3 0.356 4.311 3.960 -0.009 0.000 0.207 477 G C 0.562 175.446 174.900 -0.026 0.000 1.151 477 G CA 1.103 46.191 45.100 -0.020 0.000 0.800 477 G HN 1.316 nan 8.290 nan 0.000 0.523 478 V N 1.163 121.054 119.914 -0.037 0.000 2.348 478 V HA 0.246 4.360 4.120 -0.009 0.000 0.270 478 V C 0.133 176.192 176.094 -0.058 0.000 1.037 478 V CA -0.909 61.366 62.300 -0.042 0.000 0.872 478 V CB 1.562 33.360 31.823 -0.042 0.000 1.002 478 V HN -0.075 nan 8.190 nan 0.000 0.464 479 V N 5.301 125.186 119.914 -0.049 0.000 2.408 479 V HA 0.205 4.319 4.120 -0.009 0.000 0.267 479 V C 0.856 176.914 176.094 -0.060 0.000 1.047 479 V CA 0.135 62.401 62.300 -0.057 0.000 0.937 479 V CB 1.202 33.002 31.823 -0.039 0.000 0.999 479 V HN 1.014 nan 8.190 nan 0.000 0.472 480 T N 3.510 118.015 114.554 -0.082 0.000 2.788 480 T HA 0.137 4.482 4.350 -0.009 0.000 0.287 480 T C 0.621 175.287 174.700 -0.057 0.000 1.007 480 T CA -0.220 61.837 62.100 -0.072 0.000 1.005 480 T CB 0.839 69.649 68.868 -0.097 0.000 1.012 480 T HN 0.726 nan 8.240 nan 0.000 0.530 481 D N -0.234 120.141 120.400 -0.042 0.000 2.431 481 D HA 0.122 4.756 4.640 -0.009 0.000 0.213 481 D C 0.250 176.535 176.300 -0.024 0.000 1.130 481 D CA -0.067 53.915 54.000 -0.030 0.000 0.834 481 D CB 0.388 41.177 40.800 -0.019 0.000 0.985 481 D HN 0.330 nan 8.370 nan 0.000 0.504 482 E N 0.546 120.725 120.200 -0.034 0.000 2.277 482 E HA 0.341 4.686 4.350 -0.009 0.000 0.274 482 E C -0.770 175.815 176.600 -0.026 0.000 1.022 482 E CA -0.388 55.999 56.400 -0.021 0.000 0.853 482 E CB 1.669 31.353 29.700 -0.027 0.000 1.086 482 E HN -0.161 nan 8.360 nan 0.000 0.397 483 V N 1.966 121.881 119.914 0.001 0.000 3.046 483 V HA 0.579 4.693 4.120 -0.009 0.000 0.316 483 V C -0.433 175.692 176.094 0.052 0.000 1.104 483 V CA -0.924 61.373 62.300 -0.004 0.000 1.006 483 V CB 2.139 33.933 31.823 -0.050 0.000 1.058 483 V HN 0.486 nan 8.190 nan 0.000 0.440 484 V N 1.188 121.148 119.914 0.077 0.000 2.655 484 V HA 0.354 4.469 4.120 -0.009 0.000 0.301 484 V C -1.605 174.601 176.094 0.186 0.000 1.082 484 V CA -0.593 61.813 62.300 0.177 0.000 0.899 484 V CB 1.793 33.766 31.823 0.250 0.000 1.014 484 V HN 0.765 nan 8.190 nan 0.000 0.429 485 Y N 5.061 125.469 120.300 0.181 0.000 2.600 485 Y HA 0.437 4.982 4.550 -0.009 0.000 0.351 485 Y C 0.894 176.903 175.900 0.181 0.000 1.042 485 Y CA -0.217 58.003 58.100 0.201 0.000 1.333 485 Y CB 0.525 39.075 38.460 0.150 0.000 1.172 485 Y HN 0.503 nan 8.280 nan 0.000 0.517 486 M N 2.104 121.883 119.600 0.299 0.000 2.242 486 M HA 0.246 4.721 4.480 -0.009 0.000 0.344 486 M C 0.408 176.808 176.300 0.166 0.000 1.140 486 M CA -0.200 55.194 55.300 0.156 0.000 1.160 486 M CB 0.494 33.076 32.600 -0.029 0.000 1.491 486 M HN 0.431 nan 8.290 nan 0.000 0.459 487 T N 1.078 115.705 114.554 0.123 0.000 2.788 487 T HA 0.299 4.644 4.350 -0.009 0.000 0.287 487 T C 1.404 176.180 174.700 0.128 0.000 1.007 487 T CA -0.175 62.006 62.100 0.134 0.000 1.005 487 T CB 1.190 70.107 68.868 0.082 0.000 1.012 487 T HN 0.756 nan 8.240 nan 0.000 0.530 488 A N 1.369 124.297 122.820 0.180 0.000 1.859 488 A HA -0.161 4.154 4.320 -0.009 0.000 0.217 488 A C 2.418 180.132 177.584 0.217 0.000 1.198 488 A CA 2.426 54.609 52.037 0.244 0.000 0.629 488 A CB -1.609 17.587 19.000 0.326 0.000 0.830 488 A HN 0.828 nan 8.150 nan 0.000 0.446 489 T N -0.983 113.604 114.554 0.055 0.000 2.857 489 T HA -0.071 4.274 4.350 -0.009 0.000 0.266 489 T C 1.766 176.415 174.700 -0.085 0.000 1.048 489 T CA 1.362 63.407 62.100 -0.091 0.000 1.139 489 T CB -0.181 68.584 68.868 -0.173 0.000 0.874 489 T HN 0.690 nan 8.240 nan 0.000 0.455 490 E N 0.885 121.067 120.200 -0.030 0.000 2.472 490 E HA -0.122 4.222 4.350 -0.009 0.000 0.200 490 E C 2.033 178.576 176.600 -0.095 0.000 1.046 490 E CA 0.525 56.901 56.400 -0.040 0.000 0.871 490 E CB 0.050 29.794 29.700 0.073 0.000 0.806 490 E HN 0.602 nan 8.360 nan 0.000 0.533 491 E N 0.301 120.443 120.200 -0.096 0.000 2.158 491 E HA -0.159 4.186 4.350 -0.009 0.000 0.191 491 E C 0.784 177.242 176.600 -0.237 0.000 0.982 491 E CA 1.255 57.551 56.400 -0.174 0.000 0.823 491 E CB 0.126 29.705 29.700 -0.202 0.000 0.766 491 E HN 0.298 nan 8.360 nan 0.000 0.468 492 D N -0.023 120.263 120.400 -0.191 0.000 2.378 492 D HA -0.070 4.565 4.640 -0.009 0.000 0.222 492 D C 1.199 177.291 176.300 -0.346 0.000 0.980 492 D CA 0.447 54.331 54.000 -0.193 0.000 0.907 492 D CB 0.058 40.790 40.800 -0.113 0.000 0.899 492 D HN 0.073 nan 8.370 nan 0.000 0.527 493 R N -0.705 119.419 120.500 -0.627 0.000 2.319 493 R HA 0.112 4.447 4.340 -0.009 0.000 0.204 493 R C -0.190 175.251 176.300 -1.430 0.000 0.954 493 R CA 0.379 55.851 56.100 -1.046 0.000 1.066 493 R CB 0.154 29.643 30.300 -1.352 0.000 0.991 493 R HN 0.313 nan 8.270 nan 0.000 0.486 494 Y N -2.438 117.767 120.300 -0.158 0.000 3.246 494 Y HA 0.346 4.891 4.550 -0.009 0.000 0.281 494 Y C 0.148 175.996 175.900 -0.087 0.000 1.948 494 Y CA -1.152 56.873 58.100 -0.125 0.000 1.035 494 Y CB 1.234 39.552 38.460 -0.238 0.000 1.620 494 Y HN -0.398 nan 8.280 nan 0.000 0.500 495 T N 2.247 116.899 114.554 0.162 0.000 3.198 495 T HA 0.431 4.776 4.350 -0.009 0.000 0.352 495 T C -0.750 174.018 174.700 0.113 0.000 1.197 495 T CA -0.367 61.782 62.100 0.082 0.000 1.427 495 T CB -0.449 68.463 68.868 0.075 0.000 0.983 495 T HN 0.251 nan 8.240 nan 0.000 0.560 496 I N 2.369 122.979 120.570 0.067 0.000 2.634 496 I HA 0.534 4.699 4.170 -0.009 0.000 0.284 496 I C 0.757 176.925 176.117 0.086 0.000 1.124 496 I CA -0.418 60.953 61.300 0.118 0.000 1.417 496 I CB 0.806 38.840 38.000 0.057 0.000 1.396 496 I HN 0.503 nan 8.210 nan 0.000 0.571 497 A N 5.976 128.866 122.820 0.116 0.000 2.356 497 A HA 0.534 4.849 4.320 -0.009 0.000 0.323 497 A C -0.355 177.271 177.584 0.069 0.000 1.119 497 A CA -0.701 51.375 52.037 0.066 0.000 0.790 497 A CB 1.315 20.348 19.000 0.056 0.000 1.273 497 A HN 0.610 nan 8.150 nan 0.000 0.452 498 Q N 0.026 119.851 119.800 0.041 0.000 2.535 498 Q HA 0.304 4.638 4.340 -0.009 0.000 0.228 498 Q C 1.461 177.480 176.000 0.031 0.000 1.062 498 Q CA 0.646 56.477 55.803 0.046 0.000 0.967 498 Q CB 0.818 29.573 28.738 0.027 0.000 1.273 498 Q HN 0.850 nan 8.270 nan 0.000 0.554 499 A N 2.187 125.022 122.820 0.025 0.000 1.854 499 A HA -0.124 4.190 4.320 -0.009 0.000 0.214 499 A C 0.756 178.344 177.584 0.007 0.000 1.192 499 A CA 1.079 53.118 52.037 0.003 0.000 0.611 499 A CB -0.425 18.569 19.000 -0.010 0.000 0.832 499 A HN 0.806 nan 8.150 nan 0.000 0.442 500 N N 2.104 120.810 118.700 0.010 0.000 3.117 500 N HA 0.002 4.737 4.740 -0.009 0.000 0.323 500 N C -0.433 175.079 175.510 0.005 0.000 1.245 500 N CA 0.971 54.026 53.050 0.009 0.000 1.191 500 N CB -0.733 37.752 38.487 -0.004 0.000 1.451 500 N HN 0.495 nan 8.380 nan 0.000 0.555 501 T N -2.883 111.675 114.554 0.007 0.000 2.841 501 T HA 0.414 4.758 4.350 -0.009 0.000 0.285 501 T C -2.903 171.801 174.700 0.006 0.000 0.991 501 T CA -2.142 59.962 62.100 0.005 0.000 0.966 501 T CB 1.988 70.859 68.868 0.006 0.000 0.962 501 T HN -0.117 nan 8.240 nan 0.000 0.438 502 P HA 0.088 nan 4.420 nan 0.000 0.263 502 P C -0.854 176.449 177.300 0.005 0.000 1.162 502 P CA -0.165 62.939 63.100 0.007 0.000 0.758 502 P CB 0.296 32.000 31.700 0.006 0.000 0.773 503 L N 2.905 124.131 121.223 0.006 0.000 2.393 503 L HA 0.296 4.630 4.340 -0.009 0.000 0.260 503 L C 0.545 177.417 176.870 0.003 0.000 1.002 503 L CA -0.265 54.577 54.840 0.003 0.000 0.818 503 L CB 2.375 44.435 42.059 0.001 0.000 1.369 503 L HN 0.454 nan 8.230 nan 0.000 0.412 504 E N 1.074 121.274 120.200 0.000 0.000 2.887 504 E HA 0.361 4.706 4.350 -0.009 0.000 0.206 504 E C 0.732 177.331 176.600 -0.002 0.000 0.983 504 E CA 0.491 56.891 56.400 0.001 0.000 1.141 504 E CB 1.160 30.860 29.700 -0.000 0.000 1.061 504 E HN 1.015 nan 8.360 nan 0.000 0.468 505 G N 1.914 110.713 108.800 -0.003 0.000 2.799 505 G HA2 -0.203 3.752 3.960 -0.009 0.000 0.200 505 G HA3 -0.203 3.752 3.960 -0.009 0.000 0.200 505 G C 0.560 175.454 174.900 -0.010 0.000 1.206 505 G CA -0.044 45.053 45.100 -0.005 0.000 0.827 505 G HN 0.203 nan 8.290 nan 0.000 0.511 506 N N -0.512 118.180 118.700 -0.012 0.000 1.975 506 N HA 0.085 4.819 4.740 -0.009 0.000 0.220 506 N C -0.213 175.286 175.510 -0.018 0.000 1.413 506 N CA -0.120 52.918 53.050 -0.019 0.000 0.722 506 N CB 0.758 39.231 38.487 -0.023 0.000 1.151 506 N HN 0.522 nan 8.380 nan 0.000 0.557 507 R N 1.944 122.437 120.500 -0.012 0.000 2.247 507 R HA 0.343 4.677 4.340 -0.009 0.000 0.329 507 R C -0.015 176.281 176.300 -0.007 0.000 1.014 507 R CA -0.473 55.621 56.100 -0.010 0.000 0.907 507 R CB 0.474 30.770 30.300 -0.007 0.000 1.146 507 R HN -0.115 nan 8.270 nan 0.000 0.499 508 I N 3.271 123.836 120.570 -0.008 0.000 2.880 508 I HA -0.151 4.014 4.170 -0.009 0.000 0.296 508 I C 1.311 177.426 176.117 -0.002 0.000 1.220 508 I CA 0.808 62.106 61.300 -0.004 0.000 1.435 508 I CB 0.797 38.795 38.000 -0.003 0.000 1.339 508 I HN 0.792 nan 8.210 nan 0.000 0.583 509 A N 5.929 128.749 122.820 -0.000 0.000 1.920 509 A HA 0.442 4.756 4.320 -0.009 0.000 0.209 509 A C 1.154 178.739 177.584 0.001 0.000 1.229 509 A CA 0.702 52.739 52.037 0.001 0.000 0.671 509 A CB -0.206 18.795 19.000 0.003 0.000 0.886 509 A HN 0.746 nan 8.150 nan 0.000 0.461 510 A N -0.228 122.592 122.820 0.001 0.000 2.304 510 A HA 0.486 4.800 4.320 -0.009 0.000 0.271 510 A C 0.729 178.313 177.584 0.000 0.000 1.091 510 A CA -0.258 51.779 52.037 0.001 0.000 0.812 510 A CB 0.309 19.309 19.000 0.000 0.000 1.056 510 A HN 0.311 nan 8.150 nan 0.000 0.489 511 E N 0.324 120.524 120.200 -0.000 0.000 2.268 511 E HA -0.069 4.276 4.350 -0.009 0.000 0.195 511 E C -0.149 176.451 176.600 -0.001 0.000 0.995 511 E CA 0.858 57.258 56.400 -0.001 0.000 0.836 511 E CB 0.095 29.794 29.700 -0.001 0.000 0.763 511 E HN 0.454 nan 8.360 nan 0.000 0.491 512 R N 0.430 120.929 120.500 -0.001 0.000 2.502 512 R HA 0.450 4.785 4.340 -0.009 0.000 0.298 512 R C -0.866 175.433 176.300 -0.002 0.000 1.018 512 R CA -0.429 55.670 56.100 -0.002 0.000 0.899 512 R CB 2.076 32.373 30.300 -0.004 0.000 1.181 512 R HN -0.193 nan 8.270 nan 0.000 0.444 513 V N 2.609 122.523 119.914 -0.001 0.000 2.656 513 V HA 0.305 4.420 4.120 -0.009 0.000 0.307 513 V C 0.213 176.306 176.094 -0.001 0.000 1.051 513 V CA -0.972 61.328 62.300 -0.000 0.000 0.893 513 V CB 2.621 34.446 31.823 0.004 0.000 0.999 513 V HN 0.458 nan 8.190 nan 0.000 0.426 514 V N 4.432 124.343 119.914 -0.005 0.000 2.276 514 V HA 0.496 4.611 4.120 -0.009 0.000 0.249 514 V C 0.816 176.904 176.094 -0.009 0.000 1.160 514 V CA 0.049 62.343 62.300 -0.010 0.000 1.042 514 V CB 0.011 31.825 31.823 -0.016 0.000 1.224 514 V HN 0.978 nan 8.190 nan 0.000 0.496 515 A N 6.332 129.149 122.820 -0.005 0.000 2.257 515 A HA 0.900 5.215 4.320 -0.009 0.000 0.290 515 A C 0.229 177.795 177.584 -0.029 0.000 1.201 515 A CA -0.636 51.398 52.037 -0.004 0.000 0.863 515 A CB 0.773 19.784 19.000 0.018 0.000 1.256 515 A HN 0.602 nan 8.150 nan 0.000 0.506 516 R N 0.072 120.544 120.500 -0.048 0.000 2.686 516 R HA 0.506 4.841 4.340 -0.009 0.000 0.283 516 R C -0.925 175.329 176.300 -0.077 0.000 0.978 516 R CA -0.820 55.232 56.100 -0.079 0.000 0.897 516 R CB 1.408 31.624 30.300 -0.141 0.000 1.192 516 R HN 0.686 nan 8.270 nan 0.000 0.457 517 R N 1.279 121.733 120.500 -0.076 0.000 2.596 517 R HA 0.229 4.563 4.340 -0.009 0.000 0.267 517 R C -0.107 176.134 176.300 -0.098 0.000 1.026 517 R CA -0.970 55.085 56.100 -0.076 0.000 1.087 517 R CB 0.703 30.967 30.300 -0.061 0.000 1.132 517 R HN 0.546 nan 8.270 nan 0.000 0.531 518 K N 0.479 120.818 120.400 -0.101 0.000 2.272 518 K HA -0.067 4.248 4.320 -0.009 0.000 0.259 518 K C 0.718 177.258 176.600 -0.100 0.000 1.280 518 K CA 0.940 57.168 56.287 -0.098 0.000 1.275 518 K CB -0.858 31.595 32.500 -0.079 0.000 0.800 518 K HN 0.811 nan 8.250 nan 0.000 0.484 519 G N 1.472 110.194 108.800 -0.131 0.000 2.245 519 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.264 519 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.264 519 G C -0.287 174.546 174.900 -0.111 0.000 0.985 519 G CA 0.332 45.346 45.100 -0.144 0.000 0.625 519 G HN 0.661 nan 8.290 nan 0.000 0.536 520 E N 0.943 121.086 120.200 -0.095 0.000 2.187 520 E HA 0.421 4.765 4.350 -0.009 0.000 0.268 520 E C -2.685 173.873 176.600 -0.069 0.000 0.896 520 E CA -1.926 54.430 56.400 -0.074 0.000 0.766 520 E CB 2.171 31.834 29.700 -0.062 0.000 1.142 520 E HN 0.073 nan 8.360 nan 0.000 0.408 521 P HA 0.084 nan 4.420 nan 0.000 0.268 521 P C -0.852 176.423 177.300 -0.041 0.000 1.204 521 P CA -0.017 63.053 63.100 -0.049 0.000 0.768 521 P CB 0.666 32.344 31.700 -0.036 0.000 0.842 522 V N 4.972 124.863 119.914 -0.038 0.000 2.777 522 V HA 0.274 4.388 4.120 -0.009 0.000 0.306 522 V C -0.204 175.877 176.094 -0.022 0.000 1.112 522 V CA -0.703 61.580 62.300 -0.029 0.000 0.917 522 V CB 2.390 34.195 31.823 -0.030 0.000 1.018 522 V HN 0.484 nan 8.190 nan 0.000 0.426 523 I N 5.763 126.322 120.570 -0.018 0.000 2.278 523 I HA 0.470 4.634 4.170 -0.009 0.000 0.296 523 I C -0.550 175.562 176.117 -0.009 0.000 1.121 523 I CA 0.211 61.503 61.300 -0.013 0.000 1.267 523 I CB 0.666 38.658 38.000 -0.013 0.000 1.447 523 I HN 0.444 nan 8.210 nan 0.000 0.509 524 V N 6.507 126.418 119.914 -0.005 0.000 2.966 524 V HA 0.497 4.612 4.120 -0.009 0.000 0.317 524 V C 0.278 176.374 176.094 0.003 0.000 1.070 524 V CA -0.280 62.020 62.300 0.000 0.000 1.008 524 V CB 2.426 34.252 31.823 0.005 0.000 1.070 524 V HN 0.863 nan 8.190 nan 0.000 0.457 525 S N 3.980 119.683 115.700 0.005 0.000 2.554 525 S HA 0.456 4.921 4.470 -0.009 0.000 0.278 525 S C -1.930 172.675 174.600 0.009 0.000 1.242 525 S CA -1.118 57.085 58.200 0.005 0.000 1.051 525 S CB 1.294 64.496 63.200 0.004 0.000 0.986 525 S HN 0.579 nan 8.310 nan 0.000 0.502 526 P HA -0.238 nan 4.420 nan 0.000 0.219 526 P C 0.983 178.287 177.300 0.007 0.000 1.158 526 P CA 1.792 64.895 63.100 0.005 0.000 0.895 526 P CB -0.031 31.670 31.700 0.002 0.000 0.792 527 E N -0.390 119.813 120.200 0.006 0.000 2.085 527 E HA -0.193 4.152 4.350 -0.009 0.000 0.194 527 E C 1.942 178.552 176.600 0.016 0.000 0.994 527 E CA 1.216 57.621 56.400 0.008 0.000 0.801 527 E CB -0.857 28.847 29.700 0.007 0.000 0.743 527 E HN 0.455 nan 8.360 nan 0.000 0.453 528 E N 0.511 120.723 120.200 0.020 0.000 2.204 528 E HA -0.055 4.290 4.350 -0.009 0.000 0.194 528 E C 0.070 176.699 176.600 0.049 0.000 0.989 528 E CA 0.377 56.796 56.400 0.032 0.000 0.824 528 E CB 0.142 29.857 29.700 0.025 0.000 0.756 528 E HN 0.041 nan 8.360 nan 0.000 0.477 529 V N 3.482 123.421 119.914 0.040 0.000 2.450 529 V HA -0.111 4.004 4.120 -0.009 0.000 0.264 529 V C 1.126 177.261 176.094 0.068 0.000 0.996 529 V CA 0.836 63.169 62.300 0.055 0.000 1.138 529 V CB -0.341 31.502 31.823 0.034 0.000 1.051 529 V HN 0.243 nan 8.190 nan 0.000 0.470 530 E N 3.388 123.670 120.200 0.138 0.000 2.086 530 E HA 0.096 4.441 4.350 -0.009 0.000 0.190 530 E C -0.157 176.545 176.600 0.170 0.000 0.975 530 E CA 0.781 57.293 56.400 0.186 0.000 0.813 530 E CB 0.271 30.178 29.700 0.344 0.000 0.768 530 E HN 0.553 nan 8.360 nan 0.000 0.457 531 F N -0.311 119.639 119.950 0.001 0.000 2.613 531 F HA 0.531 5.052 4.527 -0.009 0.000 0.314 531 F C -0.357 175.480 175.800 0.061 0.000 1.075 531 F CA -1.012 56.999 58.000 0.019 0.000 0.945 531 F CB 2.007 41.022 39.000 0.025 0.000 1.310 531 F HN -0.189 nan 8.300 nan 0.000 0.467 532 M N 0.900 120.657 119.600 0.262 0.000 2.550 532 M HA 0.438 4.913 4.480 -0.009 0.000 0.292 532 M C -1.779 174.612 176.300 0.151 0.000 1.221 532 M CA -0.751 54.651 55.300 0.170 0.000 0.873 532 M CB 1.976 34.613 32.600 0.062 0.000 1.727 532 M HN 0.470 nan 8.290 nan 0.000 0.459 533 D N 1.706 122.155 120.400 0.082 0.000 2.345 533 D HA 0.149 4.783 4.640 -0.009 0.000 0.247 533 D C 1.022 177.233 176.300 -0.150 0.000 1.108 533 D CA -0.133 53.822 54.000 -0.075 0.000 0.894 533 D CB 1.510 42.323 40.800 0.022 0.000 1.203 533 D HN 0.361 nan 8.370 nan 0.000 0.430 534 V N 0.915 120.658 119.914 -0.286 0.000 2.490 534 V HA -0.092 4.023 4.120 -0.009 0.000 0.250 534 V C 0.733 176.659 176.094 -0.279 0.000 1.061 534 V CA 1.676 63.800 62.300 -0.294 0.000 1.064 534 V CB -0.922 30.642 31.823 -0.432 0.000 0.670 534 V HN 0.814 nan 8.190 nan 0.000 0.461 535 S N -4.615 110.914 115.700 -0.285 0.000 2.798 535 S HA 0.180 4.644 4.470 -0.009 0.000 0.291 535 S C -2.698 171.778 174.600 -0.207 0.000 0.894 535 S CA -0.617 57.455 58.200 -0.214 0.000 0.838 535 S CB 0.648 63.700 63.200 -0.247 0.000 1.047 535 S HN -0.017 nan 8.310 nan 0.000 0.482 536 P HA -0.141 nan 4.420 nan 0.000 0.220 536 P C 0.818 177.978 177.300 -0.233 0.000 1.142 536 P CA 1.445 64.523 63.100 -0.037 0.000 0.801 536 P CB -0.071 31.779 31.700 0.250 0.000 0.764 537 K N -0.216 120.062 120.400 -0.203 0.000 2.103 537 K HA -0.138 4.177 4.320 -0.009 0.000 0.204 537 K C 2.085 178.573 176.600 -0.186 0.000 1.052 537 K CA 1.062 57.258 56.287 -0.150 0.000 0.945 537 K CB -0.633 31.859 32.500 -0.012 0.000 0.722 537 K HN 0.323 nan 8.250 nan 0.000 0.443 538 Q N 0.686 120.289 119.800 -0.329 0.000 2.541 538 Q HA -0.064 4.270 4.340 -0.009 0.000 0.215 538 Q C 1.090 176.912 176.000 -0.297 0.000 0.977 538 Q CA 0.816 56.463 55.803 -0.259 0.000 0.934 538 Q CB 0.058 28.552 28.738 -0.406 0.000 0.988 538 Q HN 0.066 nan 8.270 nan 0.000 0.521 539 V N -0.025 119.583 119.914 -0.511 0.000 2.331 539 V HA 0.032 4.147 4.120 -0.009 0.000 0.242 539 V C 1.113 176.978 176.094 -0.382 0.000 1.034 539 V CA 1.071 62.934 62.300 -0.729 0.000 1.027 539 V CB -0.395 30.700 31.823 -1.214 0.000 0.667 539 V HN 0.292 nan 8.190 nan 0.000 0.457 540 F N 0.270 120.178 119.950 -0.070 0.000 2.364 540 F HA 0.446 4.967 4.527 -0.009 0.000 0.316 540 F C 1.437 177.230 175.800 -0.011 0.000 1.133 540 F CA -0.497 57.482 58.000 -0.036 0.000 1.051 540 F CB 0.516 39.487 39.000 -0.048 0.000 1.342 540 F HN 0.065 nan 8.300 nan 0.000 0.507 541 S N -0.062 115.771 115.700 0.222 0.000 2.502 541 S HA 0.129 4.593 4.470 -0.009 0.000 0.251 541 S C 0.625 175.276 174.600 0.084 0.000 1.254 541 S CA -0.280 57.984 58.200 0.106 0.000 0.989 541 S CB 0.242 63.476 63.200 0.056 0.000 1.015 541 S HN 0.368 nan 8.310 nan 0.000 0.529 542 V N 0.689 120.627 119.914 0.040 0.000 3.431 542 V HA 0.168 4.283 4.120 -0.009 0.000 0.253 542 V C 1.999 178.099 176.094 0.010 0.000 1.184 542 V CA 0.741 63.053 62.300 0.020 0.000 1.104 542 V CB -1.370 30.452 31.823 -0.003 0.000 0.799 542 V HN 0.685 nan 8.190 nan 0.000 0.462 543 N N 0.870 119.574 118.700 0.007 0.000 2.251 543 N HA -0.098 4.637 4.740 -0.009 0.000 0.181 543 N C 1.878 177.379 175.510 -0.015 0.000 1.019 543 N CA 1.706 54.752 53.050 -0.005 0.000 0.862 543 N CB -0.085 38.396 38.487 -0.010 0.000 0.992 543 N HN 0.419 nan 8.380 nan 0.000 0.429 544 T N 0.008 114.554 114.554 -0.015 0.000 2.777 544 T HA -0.100 4.245 4.350 -0.009 0.000 0.266 544 T C 1.434 176.122 174.700 -0.020 0.000 1.040 544 T CA 0.773 62.843 62.100 -0.050 0.000 1.141 544 T CB -0.393 68.409 68.868 -0.110 0.000 0.868 544 T HN 0.214 nan 8.240 nan 0.000 0.444 545 N N 1.244 119.968 118.700 0.040 0.000 2.680 545 N HA -0.006 4.728 4.740 -0.009 0.000 0.197 545 N C 0.353 175.858 175.510 -0.008 0.000 1.288 545 N CA 0.351 53.426 53.050 0.042 0.000 0.924 545 N CB -0.347 38.180 38.487 0.066 0.000 1.025 545 N HN 0.463 nan 8.380 nan 0.000 0.447 546 L N 0.328 121.534 121.223 -0.028 0.000 3.066 546 L HA 0.395 4.729 4.340 -0.009 0.000 0.265 546 L C -0.188 176.641 176.870 -0.069 0.000 1.232 546 L CA -0.052 54.762 54.840 -0.043 0.000 1.031 546 L CB 0.446 42.489 42.059 -0.026 0.000 1.379 546 L HN -0.065 nan 8.230 nan 0.000 0.563 547 I N 0.731 121.253 120.570 -0.080 0.000 2.328 547 I HA 0.242 4.407 4.170 -0.009 0.000 0.287 547 I C -1.297 174.762 176.117 -0.096 0.000 1.012 547 I CA -1.870 59.365 61.300 -0.108 0.000 1.195 547 I CB 1.590 39.548 38.000 -0.070 0.000 1.350 547 I HN -0.120 nan 8.210 nan 0.000 0.464 548 P HA -0.244 nan 4.420 nan 0.000 0.221 548 P C -0.144 176.843 177.300 -0.521 0.000 1.107 548 P CA 2.066 64.898 63.100 -0.448 0.000 0.986 548 P CB 0.036 31.463 31.700 -0.455 0.000 0.774 549 F N -3.641 116.387 119.950 0.129 0.000 2.769 549 F HA 0.264 4.786 4.527 -0.009 0.000 0.358 549 F C 0.813 176.665 175.800 0.086 0.000 1.285 549 F CA -0.645 57.371 58.000 0.027 0.000 1.199 549 F CB -0.111 38.799 39.000 -0.150 0.000 1.558 549 F HN -0.235 nan 8.300 nan 0.000 0.583 550 L N 1.851 123.180 121.223 0.176 0.000 2.141 550 L HA -0.122 4.213 4.340 -0.009 0.000 0.209 550 L C 2.264 179.297 176.870 0.273 0.000 1.094 550 L CA 1.945 56.852 54.840 0.112 0.000 0.763 550 L CB -0.508 41.480 42.059 -0.118 0.000 0.908 550 L HN 0.555 nan 8.230 nan 0.000 0.437 551 E N -1.801 118.657 120.200 0.430 0.000 2.208 551 E HA -0.304 4.041 4.350 -0.009 0.000 0.202 551 E C 1.400 178.269 176.600 0.449 0.000 1.014 551 E CA 2.034 58.844 56.400 0.684 0.000 0.819 551 E CB -0.687 29.451 29.700 0.730 0.000 0.735 551 E HN 0.704 nan 8.360 nan 0.000 0.469 552 H N -0.053 119.118 119.070 0.167 0.000 2.622 552 H HA 0.154 4.704 4.556 -0.010 0.000 0.269 552 H C -0.190 175.163 175.328 0.042 0.000 0.977 552 H CA -0.421 55.666 56.048 0.065 0.000 1.179 552 H CB 0.522 30.274 29.762 -0.017 0.000 1.458 552 H HN 0.086 nan 8.280 nan 0.000 0.531 553 D N 1.421 121.928 120.400 0.178 0.000 2.210 553 D HA 0.047 4.682 4.640 -0.009 0.000 0.249 553 D C -0.190 176.155 176.300 0.074 0.000 1.062 553 D CA -0.314 53.747 54.000 0.101 0.000 0.891 553 D CB 1.477 42.343 40.800 0.110 0.000 1.186 553 D HN 0.157 nan 8.370 nan 0.000 0.432 554 D N 0.284 120.712 120.400 0.046 0.000 2.390 554 D HA 0.234 4.869 4.640 -0.009 0.000 0.249 554 D C 1.073 177.390 176.300 0.028 0.000 1.144 554 D CA -0.314 53.707 54.000 0.035 0.000 0.880 554 D CB 1.133 41.947 40.800 0.022 0.000 1.182 554 D HN 0.311 nan 8.370 nan 0.000 0.451 555 A N 4.411 127.248 122.820 0.027 0.000 1.909 555 A HA -0.392 3.923 4.320 -0.009 0.000 0.221 555 A C 2.025 179.608 177.584 -0.002 0.000 1.223 555 A CA 2.452 54.492 52.037 0.005 0.000 0.658 555 A CB -1.171 17.842 19.000 0.022 0.000 0.831 555 A HN 0.820 nan 8.150 nan 0.000 0.462 556 N N -1.025 117.682 118.700 0.012 0.000 2.060 556 N HA -0.240 4.495 4.740 -0.009 0.000 0.195 556 N C 1.769 177.283 175.510 0.006 0.000 1.028 556 N CA 2.179 55.236 53.050 0.011 0.000 0.861 556 N CB -0.220 38.276 38.487 0.015 0.000 1.029 556 N HN 0.366 nan 8.380 nan 0.000 0.428 557 R N -0.201 120.307 120.500 0.012 0.000 2.236 557 R HA 0.276 4.611 4.340 -0.009 0.000 0.208 557 R C 1.762 178.071 176.300 0.015 0.000 1.036 557 R CA 0.877 56.987 56.100 0.018 0.000 1.001 557 R CB -0.617 29.702 30.300 0.032 0.000 0.896 557 R HN 0.346 nan 8.270 nan 0.000 0.464 558 A N 0.349 123.167 122.820 -0.004 0.000 2.070 558 A HA -0.114 4.201 4.320 -0.009 0.000 0.220 558 A C 1.700 179.252 177.584 -0.053 0.000 1.159 558 A CA 0.946 52.961 52.037 -0.037 0.000 0.656 558 A CB -0.469 18.470 19.000 -0.101 0.000 0.800 558 A HN 0.298 nan 8.150 nan 0.000 0.453 559 L N -0.516 120.685 121.223 -0.037 0.000 1.899 559 L HA -0.116 4.219 4.340 -0.009 0.000 0.220 559 L C 2.374 179.231 176.870 -0.021 0.000 1.091 559 L CA 2.320 57.141 54.840 -0.032 0.000 0.781 559 L CB -0.988 41.061 42.059 -0.017 0.000 0.886 559 L HN 0.448 nan 8.230 nan 0.000 0.430 560 M N -0.431 119.164 119.600 -0.009 0.000 2.294 560 M HA -0.352 4.123 4.480 -0.009 0.000 0.249 560 M C 2.048 178.342 176.300 -0.010 0.000 1.068 560 M CA 2.380 57.678 55.300 -0.004 0.000 1.063 560 M CB -1.562 31.040 32.600 0.005 0.000 1.315 560 M HN 0.666 nan 8.290 nan 0.000 0.417 561 G N -1.000 107.792 108.800 -0.013 0.000 2.491 561 G HA2 -0.220 3.735 3.960 -0.009 0.000 0.218 561 G HA3 -0.220 3.735 3.960 -0.009 0.000 0.218 561 G C 1.341 176.219 174.900 -0.038 0.000 1.180 561 G CA 1.268 46.350 45.100 -0.031 0.000 0.774 561 G HN 0.522 nan 8.290 nan 0.000 0.562 562 S N 0.279 115.955 115.700 -0.039 0.000 2.584 562 S HA -0.012 4.453 4.470 -0.009 0.000 0.240 562 S C 1.616 176.204 174.600 -0.020 0.000 0.975 562 S CA 0.799 58.978 58.200 -0.035 0.000 0.949 562 S CB -0.258 62.915 63.200 -0.045 0.000 0.761 562 S HN 0.619 nan 8.310 nan 0.000 0.536 563 N N -0.635 118.056 118.700 -0.014 0.000 2.360 563 N HA 0.227 4.961 4.740 -0.009 0.000 0.211 563 N C 1.366 176.877 175.510 0.003 0.000 1.147 563 N CA -0.015 53.033 53.050 -0.002 0.000 0.866 563 N CB -0.011 38.476 38.487 0.001 0.000 1.206 563 N HN 0.125 nan 8.380 nan 0.000 0.478 564 M N 1.815 121.412 119.600 -0.004 0.000 2.073 564 M HA -0.177 4.298 4.480 -0.009 0.000 0.258 564 M C 1.652 177.952 176.300 -0.000 0.000 1.070 564 M CA 1.912 57.211 55.300 -0.002 0.000 1.103 564 M CB -0.219 32.368 32.600 -0.022 0.000 1.321 564 M HN 0.055 nan 8.290 nan 0.000 0.405 565 Q N -1.658 118.135 119.800 -0.011 0.000 2.576 565 Q HA -0.134 4.201 4.340 -0.009 0.000 0.218 565 Q C 1.504 177.508 176.000 0.007 0.000 0.983 565 Q CA 1.377 57.179 55.803 -0.002 0.000 0.920 565 Q CB -0.342 28.397 28.738 0.002 0.000 0.973 565 Q HN 0.486 nan 8.270 nan 0.000 0.528 566 T N -0.146 114.413 114.554 0.007 0.000 3.040 566 T HA 0.013 4.357 4.350 -0.009 0.000 0.252 566 T C 1.176 175.878 174.700 0.002 0.000 1.064 566 T CA 0.357 62.460 62.100 0.005 0.000 1.110 566 T CB 0.253 69.127 68.868 0.011 0.000 0.921 566 T HN 0.247 nan 8.240 nan 0.000 0.480 567 Q N 0.826 120.644 119.800 0.031 0.000 2.360 567 Q HA 0.376 4.711 4.340 -0.009 0.000 0.202 567 Q C 0.569 176.625 176.000 0.093 0.000 0.915 567 Q CA -0.334 55.516 55.803 0.078 0.000 0.943 567 Q CB 0.352 29.161 28.738 0.119 0.000 1.064 567 Q HN 0.306 nan 8.270 nan 0.000 0.511 568 A N 1.467 124.313 122.820 0.044 0.000 2.475 568 A HA 0.229 4.543 4.320 -0.009 0.000 0.293 568 A C 0.145 177.756 177.584 0.046 0.000 1.252 568 A CA -0.158 51.908 52.037 0.048 0.000 0.920 568 A CB -0.038 18.975 19.000 0.023 0.000 1.125 568 A HN 0.199 nan 8.150 nan 0.000 0.528 569 V N 4.746 124.718 119.914 0.098 0.000 2.963 569 V HA 0.282 4.396 4.120 -0.009 0.000 0.306 569 V C -2.265 173.866 176.094 0.062 0.000 1.077 569 V CA -1.490 60.868 62.300 0.097 0.000 1.124 569 V CB 1.052 32.998 31.823 0.205 0.000 0.987 569 V HN 0.722 nan 8.190 nan 0.000 0.487 570 P HA 0.397 nan 4.420 nan 0.000 0.281 570 P C -1.114 176.194 177.300 0.014 0.000 1.252 570 P CA -0.157 62.951 63.100 0.014 0.000 0.778 570 P CB 0.807 32.499 31.700 -0.012 0.000 0.895 571 L N 3.374 124.593 121.223 -0.007 0.000 2.387 571 L HA 0.403 4.738 4.340 -0.009 0.000 0.266 571 L C 1.962 178.799 176.870 -0.056 0.000 1.059 571 L CA -0.253 54.571 54.840 -0.026 0.000 0.801 571 L CB 0.398 42.415 42.059 -0.069 0.000 1.223 571 L HN 0.383 nan 8.230 nan 0.000 0.456 572 I N -1.929 118.607 120.570 -0.056 0.000 2.546 572 I HA 0.015 4.179 4.170 -0.009 0.000 0.255 572 I C 0.858 176.905 176.117 -0.118 0.000 1.163 572 I CA 1.193 62.449 61.300 -0.073 0.000 1.457 572 I CB -0.091 37.885 38.000 -0.040 0.000 1.092 572 I HN 0.431 nan 8.210 nan 0.000 0.434 573 R N 2.269 122.668 120.500 -0.168 0.000 3.026 573 R HA 0.538 4.872 4.340 -0.009 0.000 0.317 573 R C 0.194 176.355 176.300 -0.231 0.000 1.278 573 R CA -0.184 55.770 56.100 -0.243 0.000 1.407 573 R CB 0.496 30.552 30.300 -0.407 0.000 1.368 573 R HN 0.394 nan 8.270 nan 0.000 0.612 574 A N 1.321 124.053 122.820 -0.148 0.000 2.582 574 A HA -0.042 4.273 4.320 -0.009 0.000 0.248 574 A C 0.110 177.632 177.584 -0.104 0.000 1.127 574 A CA 0.697 52.675 52.037 -0.099 0.000 0.822 574 A CB 0.333 19.286 19.000 -0.078 0.000 1.069 574 A HN 0.564 nan 8.150 nan 0.000 0.522 575 Q N -1.157 118.607 119.800 -0.061 0.000 2.869 575 Q HA 0.391 4.726 4.340 -0.009 0.000 0.213 575 Q C -0.608 175.328 176.000 -0.107 0.000 0.762 575 Q CA 0.048 55.811 55.803 -0.066 0.000 1.065 575 Q CB 1.073 29.803 28.738 -0.014 0.000 1.594 575 Q HN 1.384 nan 8.270 nan 0.000 0.503 576 A N 3.372 126.129 122.820 -0.106 0.000 2.586 576 A HA 0.270 4.585 4.320 -0.009 0.000 0.231 576 A C -2.193 175.234 177.584 -0.260 0.000 1.055 576 A CA -0.100 51.864 52.037 -0.121 0.000 0.756 576 A CB -0.243 18.810 19.000 0.088 0.000 0.988 576 A HN 0.265 nan 8.150 nan 0.000 0.509 577 P HA 0.165 nan 4.420 nan 0.000 0.282 577 P C 0.963 178.170 177.300 -0.154 0.000 1.286 577 P CA 0.106 62.898 63.100 -0.513 0.000 0.777 577 P CB 0.266 31.479 31.700 -0.812 0.000 1.184 578 V N -2.673 117.216 119.914 -0.042 0.000 3.623 578 V HA 0.182 4.296 4.120 -0.009 0.000 0.271 578 V C 0.571 176.735 176.094 0.116 0.000 1.248 578 V CA 0.268 62.601 62.300 0.055 0.000 1.156 578 V CB -0.230 31.674 31.823 0.133 0.000 0.870 578 V HN 0.294 nan 8.190 nan 0.000 0.453 579 V N 1.210 121.162 119.914 0.063 0.000 2.697 579 V HA 0.641 4.755 4.120 -0.009 0.000 0.300 579 V C -0.930 175.149 176.094 -0.025 0.000 1.115 579 V CA -0.468 61.889 62.300 0.095 0.000 0.912 579 V CB 2.083 33.964 31.823 0.096 0.000 1.024 579 V HN 0.383 nan 8.190 nan 0.000 0.431 580 M N 4.019 123.607 119.600 -0.020 0.000 2.852 580 M HA 0.525 4.999 4.480 -0.009 0.000 0.301 580 M C 1.002 177.257 176.300 -0.075 0.000 1.229 580 M CA -0.168 55.081 55.300 -0.085 0.000 0.832 580 M CB 2.369 34.894 32.600 -0.126 0.000 1.726 580 M HN 0.709 nan 8.290 nan 0.000 0.497 581 T N -3.957 110.540 114.554 -0.095 0.000 2.985 581 T HA 0.398 4.742 4.350 -0.009 0.000 0.254 581 T C 1.119 175.781 174.700 -0.063 0.000 1.021 581 T CA 0.430 62.488 62.100 -0.070 0.000 0.957 581 T CB 0.393 69.219 68.868 -0.071 0.000 1.047 581 T HN 1.056 nan 8.240 nan 0.000 0.511 582 G N 1.066 109.799 108.800 -0.112 0.000 2.213 582 G HA2 -0.210 3.745 3.960 -0.009 0.000 0.226 582 G HA3 -0.210 3.745 3.960 -0.009 0.000 0.226 582 G C 0.588 175.406 174.900 -0.136 0.000 0.992 582 G CA 0.242 45.266 45.100 -0.127 0.000 0.632 582 G HN 0.473 nan 8.290 nan 0.000 0.511 583 L N 1.193 122.348 121.223 -0.113 0.000 2.354 583 L HA 0.130 4.464 4.340 -0.009 0.000 0.212 583 L C 2.786 179.586 176.870 -0.116 0.000 1.091 583 L CA 1.169 55.955 54.840 -0.092 0.000 0.828 583 L CB -0.220 41.809 42.059 -0.050 0.000 0.973 583 L HN 0.411 nan 8.230 nan 0.000 0.461 584 E N 0.465 120.575 120.200 -0.149 0.000 2.253 584 E HA -0.304 4.040 4.350 -0.009 0.000 0.202 584 E C 1.296 177.823 176.600 -0.123 0.000 1.014 584 E CA 1.517 57.840 56.400 -0.129 0.000 0.823 584 E CB -0.377 29.229 29.700 -0.157 0.000 0.736 584 E HN 0.658 nan 8.360 nan 0.000 0.478 585 E N 0.492 120.555 120.200 -0.229 0.000 2.051 585 E HA -0.006 4.339 4.350 -0.009 0.000 0.189 585 E C 2.212 178.794 176.600 -0.029 0.000 0.979 585 E CA 0.074 56.399 56.400 -0.125 0.000 0.803 585 E CB -0.099 29.468 29.700 -0.222 0.000 0.761 585 E HN 0.049 nan 8.360 nan 0.000 0.451 586 R N 1.236 121.696 120.500 -0.066 0.000 2.316 586 R HA -0.014 4.320 4.340 -0.009 0.000 0.202 586 R C 1.864 178.134 176.300 -0.049 0.000 1.029 586 R CA 0.287 56.351 56.100 -0.061 0.000 1.018 586 R CB 0.159 30.414 30.300 -0.075 0.000 0.888 586 R HN 0.075 nan 8.270 nan 0.000 0.471 587 V N 0.000 119.895 119.914 -0.031 0.000 2.599 587 V HA -0.133 3.981 4.120 -0.009 0.000 0.245 587 V C 2.309 178.409 176.094 0.010 0.000 1.046 587 V CA 1.334 63.623 62.300 -0.018 0.000 1.065 587 V CB 0.085 31.899 31.823 -0.015 0.000 0.703 587 V HN 0.212 nan 8.190 nan 0.000 0.464 588 V N -0.225 119.720 119.914 0.050 0.000 2.719 588 V HA -0.080 4.035 4.120 -0.009 0.000 0.252 588 V C 2.338 178.508 176.094 0.127 0.000 1.065 588 V CA 2.080 64.434 62.300 0.090 0.000 1.086 588 V CB -0.597 31.308 31.823 0.136 0.000 0.700 588 V HN 0.471 nan 8.190 nan 0.000 0.467 589 R N 0.147 120.698 120.500 0.085 0.000 2.080 589 R HA -0.034 4.300 4.340 -0.009 0.000 0.222 589 R C 2.109 178.358 176.300 -0.086 0.000 1.107 589 R CA 1.765 57.839 56.100 -0.044 0.000 0.980 589 R CB -0.381 29.690 30.300 -0.381 0.000 0.879 589 R HN 0.604 nan 8.270 nan 0.000 0.439 590 D N 0.524 120.879 120.400 -0.075 0.000 2.091 590 D HA -0.101 4.534 4.640 -0.009 0.000 0.199 590 D C 0.378 176.653 176.300 -0.042 0.000 0.980 590 D CA 1.301 55.259 54.000 -0.071 0.000 0.831 590 D CB -0.230 40.526 40.800 -0.073 0.000 0.987 590 D HN 0.279 nan 8.370 nan 0.000 0.460 591 S N 1.337 117.022 115.700 -0.025 0.000 2.525 591 S HA 0.105 4.570 4.470 -0.009 0.000 0.285 591 S C 0.257 174.852 174.600 -0.008 0.000 1.283 591 S CA -0.480 57.708 58.200 -0.019 0.000 1.072 591 S CB 0.262 63.456 63.200 -0.011 0.000 0.867 591 S HN 0.091 nan 8.310 nan 0.000 0.492 592 L N 3.955 125.167 121.223 -0.017 0.000 2.361 592 L HA 0.508 4.842 4.340 -0.009 0.000 0.278 592 L C 0.953 177.815 176.870 -0.013 0.000 1.113 592 L CA 0.161 54.996 54.840 -0.009 0.000 0.849 592 L CB 0.645 42.691 42.059 -0.022 0.000 1.155 592 L HN 1.055 nan 8.230 nan 0.000 0.452 593 A N 2.886 125.707 122.820 0.002 0.000 1.429 593 A HA 0.417 4.731 4.320 -0.009 0.000 0.212 593 A C 0.408 177.976 177.584 -0.027 0.000 1.863 593 A CA 0.550 52.575 52.037 -0.020 0.000 1.494 593 A CB -0.194 18.795 19.000 -0.017 0.000 1.413 593 A HN 0.586 nan 8.150 nan 0.000 0.338 594 A N 0.693 123.514 122.820 0.003 0.000 2.309 594 A HA 0.578 4.892 4.320 -0.009 0.000 0.290 594 A C -0.245 177.306 177.584 -0.056 0.000 1.206 594 A CA -0.263 51.735 52.037 -0.065 0.000 0.850 594 A CB -0.008 18.932 19.000 -0.099 0.000 1.118 594 A HN 1.159 nan 8.150 nan 0.000 0.523 595 L N 4.561 125.693 121.223 -0.153 0.000 2.433 595 L HA 0.357 4.691 4.340 -0.009 0.000 0.284 595 L C -0.721 175.992 176.870 -0.263 0.000 1.120 595 L CA 0.200 54.930 54.840 -0.183 0.000 0.879 595 L CB -1.045 40.861 42.059 -0.255 0.000 1.232 595 L HN 0.627 nan 8.230 nan 0.000 0.454 596 Y N 3.186 123.375 120.300 -0.185 0.000 2.289 596 Y HA 0.588 5.132 4.550 -0.009 0.000 0.332 596 Y C 0.766 176.565 175.900 -0.169 0.000 1.324 596 Y CA 0.097 58.115 58.100 -0.137 0.000 1.478 596 Y CB 0.777 39.191 38.460 -0.076 0.000 1.378 596 Y HN 0.656 nan 8.280 nan 0.000 0.558 597 A N 0.839 123.732 122.820 0.122 0.000 2.292 597 A HA 0.369 4.684 4.320 -0.009 0.000 0.319 597 A C 0.412 178.088 177.584 0.153 0.000 1.206 597 A CA -0.617 51.510 52.037 0.151 0.000 0.835 597 A CB 0.408 19.506 19.000 0.163 0.000 1.164 597 A HN 0.910 nan 8.150 nan 0.000 0.505 598 E N 1.071 121.378 120.200 0.177 0.000 2.002 598 E HA -0.069 4.276 4.350 -0.009 0.000 0.196 598 E C 0.161 176.698 176.600 -0.105 0.000 0.974 598 E CA 0.750 57.168 56.400 0.030 0.000 0.853 598 E CB -0.058 29.656 29.700 0.022 0.000 0.808 598 E HN 0.767 nan 8.360 nan 0.000 0.492 599 E N 1.507 121.483 120.200 -0.372 0.000 2.283 599 E HA 0.042 4.387 4.350 -0.009 0.000 0.271 599 E C -0.910 175.541 176.600 -0.248 0.000 1.031 599 E CA -0.390 55.788 56.400 -0.369 0.000 0.868 599 E CB 0.748 30.130 29.700 -0.531 0.000 1.094 599 E HN -0.008 nan 8.360 nan 0.000 0.401 600 D N 1.556 121.905 120.400 -0.085 0.000 2.419 600 D HA 0.355 4.989 4.640 -0.009 0.000 0.236 600 D C 0.193 176.561 176.300 0.114 0.000 1.165 600 D CA 1.156 55.172 54.000 0.026 0.000 0.882 600 D CB 0.982 41.794 40.800 0.020 0.000 1.201 600 D HN 0.569 nan 8.370 nan 0.000 0.443 601 G N 0.228 109.123 108.800 0.157 0.000 2.340 601 G HA2 0.263 4.218 3.960 -0.009 0.000 0.299 601 G HA3 0.263 4.218 3.960 -0.009 0.000 0.299 601 G C -1.576 173.395 174.900 0.118 0.000 1.291 601 G CA -0.661 44.549 45.100 0.184 0.000 0.841 601 G HN 0.443 nan 8.290 nan 0.000 0.500 602 E N -0.923 119.328 120.200 0.084 0.000 2.235 602 E HA 0.615 4.959 4.350 -0.009 0.000 0.265 602 E C -0.804 175.815 176.600 0.032 0.000 0.940 602 E CA -0.725 55.703 56.400 0.047 0.000 0.819 602 E CB 2.303 32.020 29.700 0.027 0.000 1.206 602 E HN 0.256 nan 8.360 nan 0.000 0.409 603 V N 3.346 123.273 119.914 0.022 0.000 2.432 603 V HA 0.226 4.340 4.120 -0.009 0.000 0.271 603 V C 0.758 176.847 176.094 -0.007 0.000 1.046 603 V CA 0.486 62.792 62.300 0.010 0.000 0.945 603 V CB 0.512 32.343 31.823 0.013 0.000 0.992 603 V HN 0.866 nan 8.190 nan 0.000 0.471 604 A N 6.175 128.980 122.820 -0.025 0.000 1.922 604 A HA 0.278 4.593 4.320 -0.009 0.000 0.216 604 A C 1.028 178.596 177.584 -0.025 0.000 1.370 604 A CA 0.528 52.546 52.037 -0.032 0.000 0.627 604 A CB 0.103 19.069 19.000 -0.056 0.000 1.060 604 A HN 0.626 nan 8.150 nan 0.000 0.487 605 K N -0.117 120.266 120.400 -0.029 0.000 2.123 605 K HA 0.543 4.857 4.320 -0.009 0.000 0.248 605 K C -1.463 175.132 176.600 -0.008 0.000 0.969 605 K CA -0.409 55.866 56.287 -0.019 0.000 0.882 605 K CB 2.062 34.547 32.500 -0.024 0.000 1.080 605 K HN 0.361 nan 8.250 nan 0.000 0.441 606 V N -0.675 119.236 119.914 -0.005 0.000 2.722 606 V HA 0.272 4.387 4.120 -0.009 0.000 0.260 606 V C -1.064 175.031 176.094 0.001 0.000 0.941 606 V CA -1.026 61.274 62.300 -0.000 0.000 0.888 606 V CB 0.930 32.751 31.823 -0.004 0.000 1.059 606 V HN 0.612 nan 8.190 nan 0.000 0.486 607 D N 3.305 123.709 120.400 0.006 0.000 2.478 607 D HA 0.713 5.348 4.640 -0.009 0.000 0.263 607 D C 1.398 177.706 176.300 0.014 0.000 1.153 607 D CA 0.599 54.604 54.000 0.008 0.000 1.038 607 D CB 1.995 42.801 40.800 0.011 0.000 1.120 607 D HN 0.529 nan 8.370 nan 0.000 0.564 608 G N -0.786 108.026 108.800 0.020 0.000 2.985 608 G HA2 -0.069 3.885 3.960 -0.009 0.000 0.209 608 G HA3 -0.069 3.885 3.960 -0.009 0.000 0.209 608 G C 0.658 175.583 174.900 0.042 0.000 1.165 608 G CA 0.157 45.275 45.100 0.030 0.000 0.776 608 G HN 0.452 nan 8.290 nan 0.000 0.541 609 N N -0.962 117.760 118.700 0.037 0.000 2.297 609 N HA 0.131 4.865 4.740 -0.009 0.000 0.208 609 N C 0.254 175.790 175.510 0.042 0.000 1.176 609 N CA -0.306 52.772 53.050 0.047 0.000 0.882 609 N CB 0.812 39.328 38.487 0.048 0.000 1.134 609 N HN 0.281 nan 8.380 nan 0.000 0.489 610 R N 0.631 121.151 120.500 0.033 0.000 2.673 610 R HA 0.544 4.879 4.340 -0.009 0.000 0.281 610 R C -1.329 174.995 176.300 0.039 0.000 0.991 610 R CA -0.580 55.543 56.100 0.038 0.000 0.896 610 R CB 1.216 31.528 30.300 0.019 0.000 1.201 610 R HN -0.077 nan 8.270 nan 0.000 0.457 611 I N 2.961 123.575 120.570 0.073 0.000 2.954 611 I HA 0.151 4.315 4.170 -0.009 0.000 0.312 611 I C -0.405 175.753 176.117 0.068 0.000 1.391 611 I CA -0.962 60.384 61.300 0.076 0.000 0.906 611 I CB 1.838 39.901 38.000 0.105 0.000 2.079 611 I HN 0.422 nan 8.210 nan 0.000 0.618 612 V N 4.454 124.356 119.914 -0.019 0.000 2.442 612 V HA -0.043 4.072 4.120 -0.009 0.000 0.272 612 V C 0.776 176.793 176.094 -0.129 0.000 0.989 612 V CA -0.112 62.117 62.300 -0.118 0.000 1.123 612 V CB 0.067 31.821 31.823 -0.115 0.000 1.008 612 V HN 0.418 nan 8.190 nan 0.000 0.469 613 V N 3.545 123.341 119.914 -0.196 0.000 2.686 613 V HA 0.641 4.756 4.120 -0.009 0.000 0.295 613 V C 0.082 175.956 176.094 -0.366 0.000 1.057 613 V CA -1.057 61.140 62.300 -0.173 0.000 1.012 613 V CB 1.360 33.177 31.823 -0.011 0.000 1.006 613 V HN 0.798 nan 8.190 nan 0.000 0.477 614 R N 3.485 123.866 120.500 -0.197 0.000 2.215 614 R HA 0.423 4.757 4.340 -0.009 0.000 0.336 614 R C -1.012 175.273 176.300 -0.024 0.000 0.996 614 R CA -0.370 55.628 56.100 -0.170 0.000 0.847 614 R CB 0.250 30.511 30.300 -0.065 0.000 1.127 614 R HN 0.831 nan 8.270 nan 0.000 0.465 615 Y N 2.408 122.704 120.300 -0.007 0.000 2.309 615 Y HA 0.087 4.631 4.550 -0.009 0.000 0.327 615 Y C 1.020 176.921 175.900 0.002 0.000 1.172 615 Y CA -0.881 57.221 58.100 0.003 0.000 1.280 615 Y CB 1.297 39.757 38.460 -0.001 0.000 1.234 615 Y HN 0.505 nan 8.280 nan 0.000 0.512 616 E N 2.227 122.534 120.200 0.179 0.000 2.428 616 E HA -0.100 4.244 4.350 -0.009 0.000 0.199 616 E C -0.471 176.173 176.600 0.075 0.000 1.172 616 E CA 0.571 57.027 56.400 0.093 0.000 0.941 616 E CB -0.671 29.068 29.700 0.064 0.000 1.001 616 E HN 0.685 nan 8.360 nan 0.000 0.501 617 D N -1.919 118.541 120.400 0.100 0.000 2.819 617 D HA 0.291 4.926 4.640 -0.009 0.000 0.326 617 D C 1.051 177.390 176.300 0.064 0.000 1.408 617 D CA 0.029 54.071 54.000 0.071 0.000 0.811 617 D CB 0.667 41.506 40.800 0.065 0.000 1.148 617 D HN 0.022 nan 8.370 nan 0.000 0.457 618 G N 0.616 109.447 108.800 0.052 0.000 2.284 618 G HA2 -0.386 3.568 3.960 -0.009 0.000 0.261 618 G HA3 -0.386 3.568 3.960 -0.009 0.000 0.261 618 G C 0.554 175.464 174.900 0.016 0.000 0.997 618 G CA -0.023 45.094 45.100 0.027 0.000 0.621 618 G HN 0.442 nan 8.290 nan 0.000 0.534 619 R N 0.076 120.605 120.500 0.048 0.000 2.582 619 R HA 0.624 4.959 4.340 -0.009 0.000 0.271 619 R C 0.184 176.405 176.300 -0.131 0.000 1.078 619 R CA 0.163 56.270 56.100 0.010 0.000 1.127 619 R CB 0.311 30.696 30.300 0.143 0.000 1.038 619 R HN 0.636 nan 8.270 nan 0.000 0.500 620 L N -0.570 120.522 121.223 -0.219 0.000 2.617 620 L HA 0.426 4.761 4.340 -0.009 0.000 0.259 620 L C -0.968 175.691 176.870 -0.351 0.000 0.995 620 L CA -1.047 53.596 54.840 -0.327 0.000 0.899 620 L CB 1.344 43.288 42.059 -0.191 0.000 1.181 620 L HN 0.158 nan 8.230 nan 0.000 0.437 621 V N 1.060 120.638 119.914 -0.559 0.000 2.686 621 V HA 0.312 4.426 4.120 -0.009 0.000 0.295 621 V C 0.367 176.168 176.094 -0.488 0.000 1.057 621 V CA -0.232 61.764 62.300 -0.505 0.000 1.012 621 V CB 1.876 33.307 31.823 -0.654 0.000 1.006 621 V HN 0.841 nan 8.190 nan 0.000 0.477 622 E N 2.505 122.499 120.200 -0.342 0.000 2.115 622 E HA 0.270 4.614 4.350 -0.009 0.000 0.282 622 E C -1.484 175.007 176.600 -0.182 0.000 0.987 622 E CA -0.436 55.839 56.400 -0.209 0.000 0.797 622 E CB 0.640 30.276 29.700 -0.107 0.000 1.086 622 E HN 0.694 nan 8.360 nan 0.000 0.397 623 Y N 5.668 125.946 120.300 -0.037 0.000 2.804 623 Y HA 0.259 4.803 4.550 -0.009 0.000 0.330 623 Y C -2.015 173.873 175.900 -0.020 0.000 1.092 623 Y CA -2.586 55.501 58.100 -0.021 0.000 1.315 623 Y CB 1.044 39.495 38.460 -0.014 0.000 1.188 623 Y HN 0.464 nan 8.280 nan 0.000 0.512 624 P HA 0.051 nan 4.420 nan 0.000 0.269 624 P C -0.917 176.416 177.300 0.054 0.000 1.209 624 P CA 0.337 63.481 63.100 0.075 0.000 0.776 624 P CB 0.758 32.485 31.700 0.045 0.000 0.876 625 L N 3.164 124.411 121.223 0.041 0.000 2.376 625 L HA 0.435 4.770 4.340 -0.009 0.000 0.275 625 L C 0.454 177.355 176.870 0.052 0.000 0.987 625 L CA -0.779 54.073 54.840 0.020 0.000 0.828 625 L CB 1.747 43.817 42.059 0.018 0.000 1.249 625 L HN 0.207 nan 8.230 nan 0.000 0.409 626 R N 2.946 123.458 120.500 0.020 0.000 2.483 626 R HA -0.023 4.311 4.340 -0.009 0.000 0.329 626 R C 1.182 177.633 176.300 0.252 0.000 0.961 626 R CA -0.002 56.182 56.100 0.139 0.000 1.041 626 R CB 0.359 30.631 30.300 -0.047 0.000 0.930 626 R HN 0.642 nan 8.270 nan 0.000 0.413 627 R N 2.580 123.274 120.500 0.322 0.000 2.151 627 R HA -0.135 4.200 4.340 -0.009 0.000 0.220 627 R C 0.186 176.670 176.300 0.307 0.000 1.120 627 R CA 1.253 57.527 56.100 0.289 0.000 0.882 627 R CB -0.192 30.268 30.300 0.265 0.000 0.806 627 R HN 0.365 nan 8.270 nan 0.000 0.440 628 F N 0.270 120.202 119.950 -0.030 0.000 2.679 628 F HA 0.372 4.893 4.527 -0.009 0.000 0.354 628 F C -0.865 174.867 175.800 -0.113 0.000 1.423 628 F CA -1.368 56.598 58.000 -0.057 0.000 1.141 628 F CB 0.247 39.194 39.000 -0.089 0.000 1.168 628 F HN 0.005 nan 8.300 nan 0.000 0.530 629 Y N 0.529 120.847 120.300 0.029 0.000 2.497 629 Y HA 0.222 4.766 4.550 -0.009 0.000 0.334 629 Y C 1.116 176.997 175.900 -0.031 0.000 1.199 629 Y CA -0.162 57.925 58.100 -0.021 0.000 1.425 629 Y CB 0.457 38.891 38.460 -0.043 0.000 1.291 629 Y HN 0.183 nan 8.280 nan 0.000 0.562 630 R N 2.014 122.568 120.500 0.090 0.000 2.390 630 R HA 0.336 4.670 4.340 -0.009 0.000 0.291 630 R C -0.392 175.935 176.300 0.045 0.000 1.070 630 R CA -0.215 55.915 56.100 0.051 0.000 1.014 630 R CB 0.459 30.803 30.300 0.074 0.000 1.007 630 R HN 0.726 nan 8.270 nan 0.000 0.466 631 S N 2.600 118.299 115.700 -0.003 0.000 2.693 631 S HA 0.263 4.727 4.470 -0.009 0.000 0.276 631 S C 0.473 175.060 174.600 -0.022 0.000 1.192 631 S CA -0.818 57.369 58.200 -0.022 0.000 0.994 631 S CB 1.215 64.389 63.200 -0.044 0.000 1.012 631 S HN 0.704 nan 8.310 nan 0.000 0.550 632 N N 1.404 120.079 118.700 -0.042 0.000 2.084 632 N HA -0.098 4.637 4.740 -0.009 0.000 0.190 632 N C 1.245 176.782 175.510 0.044 0.000 1.030 632 N CA 1.230 54.255 53.050 -0.042 0.000 0.849 632 N CB -0.337 38.088 38.487 -0.103 0.000 1.012 632 N HN 0.756 nan 8.380 nan 0.000 0.423 633 Q N -0.016 119.806 119.800 0.037 0.000 2.228 633 Q HA 0.265 4.599 4.340 -0.009 0.000 0.211 633 Q C 0.881 177.009 176.000 0.214 0.000 0.890 633 Q CA 0.386 56.264 55.803 0.125 0.000 0.953 633 Q CB 0.137 28.843 28.738 -0.053 0.000 1.053 633 Q HN 0.364 nan 8.270 nan 0.000 0.471 634 G N 1.310 110.152 108.800 0.070 0.000 2.320 634 G HA2 -0.377 3.577 3.960 -0.009 0.000 0.242 634 G HA3 -0.377 3.577 3.960 -0.009 0.000 0.242 634 G C 0.609 175.362 174.900 -0.245 0.000 1.033 634 G CA 0.576 45.584 45.100 -0.153 0.000 0.620 634 G HN 0.637 nan 8.290 nan 0.000 0.517 635 T N -0.220 114.334 114.554 0.001 0.000 2.663 635 T HA 0.572 4.917 4.350 -0.009 0.000 0.325 635 T C 0.745 175.425 174.700 -0.034 0.000 1.059 635 T CA 0.827 62.943 62.100 0.028 0.000 1.039 635 T CB 1.341 70.213 68.868 0.007 0.000 0.996 635 T HN 1.835 nan 8.240 nan 0.000 0.539 636 A N 0.379 123.186 122.820 -0.021 0.000 2.269 636 A HA 0.725 5.040 4.320 -0.009 0.000 0.327 636 A C 0.410 177.956 177.584 -0.064 0.000 1.112 636 A CA -1.121 50.889 52.037 -0.046 0.000 0.865 636 A CB 0.617 19.572 19.000 -0.075 0.000 1.227 636 A HN 0.900 nan 8.150 nan 0.000 0.498 637 L N 1.125 122.309 121.223 -0.066 0.000 3.347 637 L HA 0.192 4.527 4.340 -0.009 0.000 0.306 637 L C -0.548 176.264 176.870 -0.098 0.000 1.301 637 L CA -0.472 54.329 54.840 -0.065 0.000 0.985 637 L CB 0.064 42.110 42.059 -0.022 0.000 1.400 637 L HN 0.813 nan 8.230 nan 0.000 0.601 638 D N 0.828 121.097 120.400 -0.219 0.000 2.401 638 D HA 0.059 4.694 4.640 -0.009 0.000 0.254 638 D C -0.332 175.841 176.300 -0.212 0.000 1.192 638 D CA 0.134 53.939 54.000 -0.326 0.000 0.885 638 D CB 1.202 41.517 40.800 -0.809 0.000 1.147 638 D HN 0.292 nan 8.370 nan 0.000 0.478 639 Q N 1.525 121.246 119.800 -0.132 0.000 2.205 639 Q HA 0.568 4.902 4.340 -0.009 0.000 0.249 639 Q C -0.214 175.732 176.000 -0.090 0.000 0.948 639 Q CA -0.917 54.824 55.803 -0.103 0.000 0.895 639 Q CB 1.873 30.565 28.738 -0.076 0.000 1.249 639 Q HN 0.549 nan 8.270 nan 0.000 0.458 640 R N -0.098 120.348 120.500 -0.089 0.000 2.522 640 R HA 0.488 4.823 4.340 -0.009 0.000 0.283 640 R C -3.087 173.167 176.300 -0.077 0.000 1.074 640 R CA -2.183 53.875 56.100 -0.071 0.000 0.925 640 R CB 0.879 31.133 30.300 -0.076 0.000 1.205 640 R HN 0.273 nan 8.270 nan 0.000 0.436 641 P HA 0.057 nan 4.420 nan 0.000 0.268 641 P C -0.280 176.976 177.300 -0.073 0.000 1.208 641 P CA -0.444 62.618 63.100 -0.063 0.000 0.777 641 P CB 0.579 32.257 31.700 -0.036 0.000 0.875 642 R N 1.107 121.556 120.500 -0.085 0.000 2.668 642 R HA 0.313 4.647 4.340 -0.009 0.000 0.435 642 R C -1.037 175.220 176.300 -0.072 0.000 1.059 642 R CA -0.167 55.880 56.100 -0.088 0.000 1.073 642 R CB 0.085 30.313 30.300 -0.119 0.000 1.401 642 R HN 0.241 nan 8.270 nan 0.000 0.590 643 V N 0.804 120.686 119.914 -0.053 0.000 2.709 643 V HA 0.421 4.535 4.120 -0.009 0.000 0.308 643 V C 0.754 176.833 176.094 -0.025 0.000 1.062 643 V CA -1.240 61.038 62.300 -0.037 0.000 0.901 643 V CB 2.429 34.236 31.823 -0.026 0.000 1.003 643 V HN 0.011 nan 8.190 nan 0.000 0.425 644 V N 2.164 122.066 119.914 -0.021 0.000 3.489 644 V HA 0.574 4.689 4.120 -0.009 0.000 0.297 644 V C 0.275 176.363 176.094 -0.010 0.000 1.071 644 V CA -0.577 61.714 62.300 -0.016 0.000 1.074 644 V CB 1.047 32.861 31.823 -0.016 0.000 1.188 644 V HN 0.574 nan 8.190 nan 0.000 0.458 645 V N 1.461 121.369 119.914 -0.009 0.000 2.455 645 V HA 0.618 4.732 4.120 -0.009 0.000 0.273 645 V C 1.227 177.318 176.094 -0.005 0.000 1.045 645 V CA 0.538 62.834 62.300 -0.007 0.000 0.976 645 V CB -0.563 31.255 31.823 -0.008 0.000 0.993 645 V HN 1.811 nan 8.190 nan 0.000 0.475 646 G N 3.481 112.280 108.800 -0.002 0.000 2.248 646 G HA2 -0.216 3.738 3.960 -0.009 0.000 0.252 646 G HA3 -0.216 3.738 3.960 -0.009 0.000 0.252 646 G C -0.203 174.699 174.900 0.004 0.000 1.085 646 G CA 0.269 45.370 45.100 0.001 0.000 0.845 646 G HN 0.829 nan 8.290 nan 0.000 0.494 647 Q N -0.076 119.728 119.800 0.007 0.000 2.245 647 Q HA 0.546 4.881 4.340 -0.009 0.000 0.256 647 Q C 0.909 176.921 176.000 0.021 0.000 0.942 647 Q CA -1.177 54.632 55.803 0.010 0.000 0.896 647 Q CB 0.625 29.366 28.738 0.004 0.000 1.272 647 Q HN 0.493 nan 8.270 nan 0.000 0.442 648 R N 3.288 123.800 120.500 0.021 0.000 2.408 648 R HA 0.198 4.533 4.340 -0.009 0.000 0.308 648 R C -0.101 176.220 176.300 0.035 0.000 1.210 648 R CA -0.297 55.822 56.100 0.031 0.000 1.115 648 R CB -0.616 29.699 30.300 0.025 0.000 1.127 648 R HN 0.426 nan 8.270 nan 0.000 0.523 649 V N 1.222 121.166 119.914 0.050 0.000 3.287 649 V HA 0.210 4.324 4.120 -0.009 0.000 0.306 649 V C 0.261 176.386 176.094 0.051 0.000 1.103 649 V CA -0.692 61.639 62.300 0.051 0.000 1.159 649 V CB 0.301 32.169 31.823 0.075 0.000 1.036 649 V HN 0.733 nan 8.190 nan 0.000 0.487 650 R N 1.812 122.340 120.500 0.047 0.000 2.265 650 R HA 0.404 4.738 4.340 -0.009 0.000 0.328 650 R C -0.300 176.033 176.300 0.055 0.000 0.969 650 R CA -0.965 55.161 56.100 0.043 0.000 0.832 650 R CB 0.316 30.639 30.300 0.038 0.000 1.139 650 R HN 0.956 nan 8.270 nan 0.000 0.457 651 K N 1.805 122.230 120.400 0.042 0.000 2.438 651 K HA -0.069 4.246 4.320 -0.009 0.000 0.270 651 K C 0.614 177.250 176.600 0.060 0.000 1.095 651 K CA 1.816 58.125 56.287 0.037 0.000 1.174 651 K CB -0.327 32.176 32.500 0.005 0.000 0.830 651 K HN 0.935 nan 8.250 nan 0.000 0.487 652 G N 3.076 111.936 108.800 0.100 0.000 2.165 652 G HA2 -0.211 3.743 3.960 -0.009 0.000 0.226 652 G HA3 -0.211 3.743 3.960 -0.009 0.000 0.226 652 G C -0.607 174.495 174.900 0.336 0.000 1.035 652 G CA 0.078 45.271 45.100 0.156 0.000 0.744 652 G HN 0.771 nan 8.290 nan 0.000 0.501 653 D N 0.328 120.880 120.400 0.253 0.000 2.505 653 D HA 0.463 5.097 4.640 -0.009 0.000 0.249 653 D C 1.339 177.572 176.300 -0.113 0.000 1.082 653 D CA -0.704 53.387 54.000 0.151 0.000 0.839 653 D CB 1.440 42.279 40.800 0.064 0.000 1.317 653 D HN 0.658 nan 8.370 nan 0.000 0.497 654 L N 1.681 122.600 121.223 -0.505 0.000 2.653 654 L HA 0.006 4.341 4.340 -0.009 0.000 0.288 654 L C 0.173 176.845 176.870 -0.331 0.000 1.243 654 L CA 0.114 54.531 54.840 -0.706 0.000 0.906 654 L CB 0.372 42.049 42.059 -0.637 0.000 1.154 654 L HN 0.457 nan 8.230 nan 0.000 0.498 655 L N 3.826 124.872 121.223 -0.296 0.000 2.470 655 L HA 0.470 4.805 4.340 -0.009 0.000 0.219 655 L C 0.975 177.747 176.870 -0.164 0.000 1.071 655 L CA 0.587 55.327 54.840 -0.167 0.000 0.850 655 L CB 0.098 42.078 42.059 -0.132 0.000 1.040 655 L HN 0.936 nan 8.230 nan 0.000 0.475 656 A N -0.696 121.996 122.820 -0.214 0.000 2.459 656 A HA 0.405 4.720 4.320 -0.009 0.000 0.296 656 A C -1.391 176.075 177.584 -0.196 0.000 1.039 656 A CA -0.660 51.275 52.037 -0.170 0.000 0.698 656 A CB 1.157 20.079 19.000 -0.130 0.000 1.261 656 A HN -0.070 nan 8.150 nan 0.000 0.405 657 D N 1.654 121.956 120.400 -0.163 0.000 2.389 657 D HA 0.387 5.021 4.640 -0.009 0.000 0.247 657 D C 1.176 177.405 176.300 -0.119 0.000 1.128 657 D CA 1.042 54.952 54.000 -0.150 0.000 0.884 657 D CB 1.658 42.378 40.800 -0.134 0.000 1.194 657 D HN 0.719 nan 8.370 nan 0.000 0.441 658 G N 2.701 111.444 108.800 -0.095 0.000 2.418 658 G HA2 0.007 3.961 3.960 -0.009 0.000 0.276 658 G HA3 0.007 3.961 3.960 -0.009 0.000 0.276 658 G C -1.538 173.316 174.900 -0.078 0.000 1.442 658 G CA -0.385 44.672 45.100 -0.072 0.000 1.066 658 G HN 0.307 nan 8.290 nan 0.000 0.553 659 P HA 0.070 nan 4.420 nan 0.000 0.214 659 P C 1.069 178.330 177.300 -0.065 0.000 1.162 659 P CA 2.300 65.354 63.100 -0.076 0.000 0.874 659 P CB 0.220 31.882 31.700 -0.064 0.000 0.784 660 A N -1.089 121.707 122.820 -0.040 0.000 2.637 660 A HA 0.312 4.627 4.320 -0.009 0.000 0.293 660 A C 0.323 177.897 177.584 -0.016 0.000 1.216 660 A CA -0.082 51.941 52.037 -0.025 0.000 0.956 660 A CB -0.606 18.395 19.000 0.001 0.000 1.174 660 A HN 0.161 nan 8.150 nan 0.000 0.525 661 S N -0.591 115.090 115.700 -0.033 0.000 2.410 661 S HA 0.304 4.769 4.470 -0.009 0.000 0.304 661 S C 0.641 175.199 174.600 -0.069 0.000 1.095 661 S CA -0.147 58.038 58.200 -0.024 0.000 1.089 661 S CB 1.360 64.549 63.200 -0.018 0.000 0.968 661 S HN 0.473 nan 8.310 nan 0.000 0.480 662 E N 2.854 123.010 120.200 -0.073 0.000 2.021 662 E HA -0.237 4.107 4.350 -0.009 0.000 0.200 662 E C 0.317 176.808 176.600 -0.181 0.000 1.015 662 E CA 1.026 57.349 56.400 -0.127 0.000 0.824 662 E CB 0.061 29.677 29.700 -0.140 0.000 0.762 662 E HN 0.793 nan 8.360 nan 0.000 0.454 663 N N -1.769 116.779 118.700 -0.254 0.000 2.679 663 N HA 0.075 4.809 4.740 -0.009 0.000 0.240 663 N C -0.338 174.982 175.510 -0.316 0.000 1.537 663 N CA 0.778 53.649 53.050 -0.298 0.000 0.793 663 N CB 0.773 39.046 38.487 -0.357 0.000 1.391 663 N HN 0.369 nan 8.380 nan 0.000 0.524 664 G N 0.569 109.310 108.800 -0.099 0.000 2.195 664 G HA2 -0.238 3.716 3.960 -0.009 0.000 0.246 664 G HA3 -0.238 3.716 3.960 -0.009 0.000 0.246 664 G C -0.131 175.040 174.900 0.453 0.000 0.984 664 G CA -0.130 45.050 45.100 0.133 0.000 0.633 664 G HN 0.405 nan 8.290 nan 0.000 0.525 665 F N 0.151 120.083 119.950 -0.030 0.000 2.436 665 F HA 0.547 5.068 4.527 -0.009 0.000 0.340 665 F C 0.694 176.465 175.800 -0.048 0.000 1.113 665 F CA -1.387 56.589 58.000 -0.041 0.000 1.022 665 F CB 1.617 40.577 39.000 -0.067 0.000 1.128 665 F HN -0.024 nan 8.300 nan 0.000 0.466 666 L N 4.148 125.453 121.223 0.137 0.000 2.737 666 L HA 0.084 4.418 4.340 -0.009 0.000 0.288 666 L C 0.169 177.072 176.870 0.056 0.000 1.185 666 L CA 0.194 55.075 54.840 0.069 0.000 1.127 666 L CB -0.908 41.174 42.059 0.039 0.000 1.432 666 L HN 0.549 nan 8.230 nan 0.000 0.449 667 A N 6.543 129.392 122.820 0.049 0.000 2.366 667 A HA 0.538 4.852 4.320 -0.009 0.000 0.322 667 A C 0.095 177.749 177.584 0.117 0.000 1.397 667 A CA -0.474 51.589 52.037 0.043 0.000 0.984 667 A CB -0.115 18.879 19.000 -0.009 0.000 1.149 667 A HN 0.705 nan 8.150 nan 0.000 0.540 668 L N 3.104 124.492 121.223 0.274 0.000 3.096 668 L HA 0.558 4.893 4.340 -0.009 0.000 0.247 668 L C 0.878 177.886 176.870 0.230 0.000 1.321 668 L CA 0.279 55.252 54.840 0.220 0.000 1.044 668 L CB -0.176 41.983 42.059 0.167 0.000 1.434 668 L HN 0.912 nan 8.230 nan 0.000 0.533 669 G N -0.418 108.545 108.800 0.271 0.000 2.368 669 G HA2 0.266 4.221 3.960 -0.009 0.000 0.269 669 G HA3 0.266 4.221 3.960 -0.009 0.000 0.269 669 G C -1.927 173.107 174.900 0.224 0.000 1.291 669 G CA -0.560 44.613 45.100 0.121 0.000 0.903 669 G HN 0.057 nan 8.290 nan 0.000 0.483 670 Q N -0.591 119.295 119.800 0.144 0.000 2.484 670 Q HA 0.532 4.866 4.340 -0.009 0.000 0.285 670 Q C -0.721 175.497 176.000 0.364 0.000 1.097 670 Q CA -0.641 55.290 55.803 0.213 0.000 0.802 670 Q CB 1.917 30.746 28.738 0.150 0.000 1.444 670 Q HN 0.569 nan 8.270 nan 0.000 0.429 671 N N 0.078 118.961 118.700 0.304 0.000 2.439 671 N HA 0.436 5.171 4.740 -0.009 0.000 0.249 671 N C -1.406 174.201 175.510 0.162 0.000 1.003 671 N CA -0.352 52.848 53.050 0.250 0.000 0.942 671 N CB 1.505 40.097 38.487 0.175 0.000 1.115 671 N HN 0.198 nan 8.380 nan 0.000 0.505 672 V N 3.456 123.440 119.914 0.116 0.000 2.815 672 V HA 0.469 4.584 4.120 -0.009 0.000 0.314 672 V C -0.585 175.486 176.094 -0.039 0.000 1.064 672 V CA -0.949 61.352 62.300 0.001 0.000 0.952 672 V CB 1.854 33.693 31.823 0.025 0.000 1.020 672 V HN 0.514 nan 8.190 nan 0.000 0.439 673 L N 5.479 126.617 121.223 -0.142 0.000 2.360 673 L HA 0.512 4.846 4.340 -0.009 0.000 0.276 673 L C -0.249 176.551 176.870 -0.117 0.000 1.121 673 L CA 0.368 55.096 54.840 -0.187 0.000 0.845 673 L CB 1.488 43.326 42.059 -0.369 0.000 1.143 673 L HN 0.678 nan 8.230 nan 0.000 0.452 674 V N 6.176 126.049 119.914 -0.068 0.000 2.417 674 V HA 0.814 4.929 4.120 -0.009 0.000 0.291 674 V C 0.051 176.121 176.094 -0.039 0.000 1.024 674 V CA -0.223 62.052 62.300 -0.042 0.000 0.861 674 V CB 1.420 33.243 31.823 0.000 0.000 0.985 674 V HN 0.914 nan 8.190 nan 0.000 0.436 675 A N 6.838 129.631 122.820 -0.047 0.000 2.295 675 A HA 0.828 5.142 4.320 -0.009 0.000 0.318 675 A C -0.419 177.160 177.584 -0.009 0.000 1.134 675 A CA -0.623 51.398 52.037 -0.027 0.000 0.827 675 A CB 0.996 19.975 19.000 -0.034 0.000 1.136 675 A HN 1.355 nan 8.150 nan 0.000 0.493 676 I N 2.824 123.401 120.570 0.012 0.000 2.542 676 I HA 0.587 4.752 4.170 -0.009 0.000 0.278 676 I C -0.784 175.352 176.117 0.032 0.000 1.069 676 I CA -0.576 60.736 61.300 0.021 0.000 1.100 676 I CB 0.269 38.285 38.000 0.026 0.000 1.204 676 I HN 0.899 nan 8.210 nan 0.000 0.470 677 M N 5.984 125.612 119.600 0.047 0.000 2.924 677 M HA 0.766 5.241 4.480 -0.009 0.000 0.271 677 M C -3.092 173.264 176.300 0.093 0.000 1.280 677 M CA -1.747 53.591 55.300 0.063 0.000 0.813 677 M CB 1.623 34.271 32.600 0.081 0.000 1.658 677 M HN -0.009 nan 8.290 nan 0.000 0.467 678 P HA 0.499 nan 4.420 nan 0.000 0.292 678 P C -1.761 175.648 177.300 0.183 0.000 1.283 678 P CA -0.113 63.050 63.100 0.105 0.000 0.835 678 P CB 0.726 32.447 31.700 0.034 0.000 1.017 679 F N 1.492 121.442 119.950 0.001 0.000 2.492 679 F HA 0.219 4.742 4.527 -0.007 0.000 0.327 679 F C 0.899 176.656 175.800 -0.072 0.000 1.079 679 F CA -0.939 57.049 58.000 -0.020 0.000 0.967 679 F CB 0.994 40.014 39.000 0.032 0.000 1.169 679 F HN 0.261 nan 8.300 nan 0.000 0.472 680 D N 3.322 123.434 120.400 -0.480 0.000 3.572 680 D HA -0.059 4.575 4.640 -0.009 0.000 0.255 680 D C 1.487 177.621 176.300 -0.277 0.000 1.330 680 D CA 1.446 55.209 54.000 -0.395 0.000 1.584 680 D CB -0.508 39.958 40.800 -0.558 0.000 1.218 680 D HN 0.904 nan 8.370 nan 0.000 0.598 681 G N 2.855 111.640 108.800 -0.025 0.000 2.366 681 G HA2 -0.454 3.500 3.960 -0.009 0.000 0.263 681 G HA3 -0.454 3.500 3.960 -0.009 0.000 0.263 681 G C 1.166 176.239 174.900 0.288 0.000 0.986 681 G CA 0.773 45.971 45.100 0.162 0.000 0.632 681 G HN 0.515 nan 8.290 nan 0.000 0.555 682 Y N 1.700 122.115 120.300 0.192 0.000 2.241 682 Y HA -0.111 4.435 4.550 -0.006 0.000 0.286 682 Y C 2.312 178.309 175.900 0.163 0.000 1.166 682 Y CA 1.485 59.693 58.100 0.179 0.000 1.203 682 Y CB -0.362 38.235 38.460 0.228 0.000 0.977 682 Y HN 0.684 nan 8.280 nan 0.000 0.529 683 N N -0.799 118.102 118.700 0.335 0.000 2.321 683 N HA -0.060 4.675 4.740 -0.009 0.000 0.242 683 N C 1.195 176.817 175.510 0.187 0.000 1.141 683 N CA -0.367 52.810 53.050 0.213 0.000 0.864 683 N CB -1.277 37.303 38.487 0.155 0.000 1.100 683 N HN 0.136 nan 8.380 nan 0.000 0.510 684 F N 1.497 121.505 119.950 0.097 0.000 2.138 684 F HA -0.368 4.153 4.527 -0.010 0.000 0.290 684 F C 1.935 177.761 175.800 0.042 0.000 1.133 684 F CA 2.498 60.535 58.000 0.061 0.000 1.280 684 F CB 0.041 39.077 39.000 0.059 0.000 0.924 684 F HN 0.237 nan 8.300 nan 0.000 0.528 685 E N -1.723 118.487 120.200 0.016 0.000 2.192 685 E HA -0.010 4.334 4.350 -0.009 0.000 0.196 685 E C 0.512 177.092 176.600 -0.034 0.000 0.922 685 E CA 0.920 57.237 56.400 -0.138 0.000 0.924 685 E CB 0.313 30.075 29.700 0.102 0.000 0.911 685 E HN 0.459 nan 8.360 nan 0.000 0.478 686 D N -0.658 119.771 120.400 0.048 0.000 2.615 686 D HA 0.193 4.827 4.640 -0.009 0.000 0.274 686 D C -0.514 175.813 176.300 0.045 0.000 1.512 686 D CA -0.012 54.006 54.000 0.030 0.000 0.803 686 D CB 1.082 41.896 40.800 0.023 0.000 1.182 686 D HN 0.022 nan 8.370 nan 0.000 0.473 687 A N 0.899 123.766 122.820 0.077 0.000 2.322 687 A HA 0.636 4.951 4.320 -0.009 0.000 0.269 687 A C 0.145 177.762 177.584 0.055 0.000 1.094 687 A CA -0.045 52.035 52.037 0.071 0.000 0.807 687 A CB 0.739 19.805 19.000 0.109 0.000 1.047 687 A HN 0.138 nan 8.150 nan 0.000 0.487 688 I N 1.258 121.840 120.570 0.020 0.000 2.603 688 I HA 0.373 4.537 4.170 -0.009 0.000 0.300 688 I C -0.675 175.424 176.117 -0.031 0.000 1.017 688 I CA -0.897 60.400 61.300 -0.005 0.000 1.098 688 I CB 2.150 40.130 38.000 -0.033 0.000 1.279 688 I HN 0.315 nan 8.210 nan 0.000 0.437 689 V N 5.910 125.794 119.914 -0.050 0.000 2.472 689 V HA 0.438 4.553 4.120 -0.009 0.000 0.290 689 V C -0.138 175.874 176.094 -0.136 0.000 1.037 689 V CA -0.590 61.654 62.300 -0.094 0.000 0.908 689 V CB 1.900 33.650 31.823 -0.122 0.000 0.985 689 V HN 0.346 nan 8.190 nan 0.000 0.454 690 I N 2.966 123.450 120.570 -0.144 0.000 2.436 690 I HA 0.280 4.444 4.170 -0.009 0.000 0.289 690 I C 0.372 176.408 176.117 -0.136 0.000 1.010 690 I CA -0.195 61.012 61.300 -0.155 0.000 1.098 690 I CB 1.830 39.723 38.000 -0.179 0.000 1.266 690 I HN 0.649 nan 8.210 nan 0.000 0.434 691 S N 5.318 120.939 115.700 -0.131 0.000 2.443 691 S HA 0.015 4.480 4.470 -0.009 0.000 0.284 691 S C 1.396 175.949 174.600 -0.079 0.000 1.206 691 S CA -0.074 58.065 58.200 -0.103 0.000 1.074 691 S CB -0.050 63.087 63.200 -0.104 0.000 0.963 691 S HN 0.691 nan 8.310 nan 0.000 0.501 692 E N 3.104 123.269 120.200 -0.058 0.000 2.200 692 E HA -0.332 4.012 4.350 -0.009 0.000 0.211 692 E C 1.457 178.042 176.600 -0.024 0.000 1.048 692 E CA 2.127 58.505 56.400 -0.036 0.000 0.851 692 E CB -0.165 29.523 29.700 -0.019 0.000 0.747 692 E HN 0.869 nan 8.360 nan 0.000 0.462 693 E N 0.490 120.672 120.200 -0.029 0.000 2.114 693 E HA -0.191 4.154 4.350 -0.009 0.000 0.199 693 E C 2.110 178.698 176.600 -0.021 0.000 1.008 693 E CA 1.177 57.563 56.400 -0.023 0.000 0.810 693 E CB -0.414 29.261 29.700 -0.041 0.000 0.739 693 E HN 0.379 nan 8.360 nan 0.000 0.456 694 L N -0.320 120.870 121.223 -0.055 0.000 2.211 694 L HA -0.250 4.085 4.340 -0.009 0.000 0.216 694 L C 2.087 179.025 176.870 0.113 0.000 1.092 694 L CA 1.044 55.862 54.840 -0.037 0.000 0.767 694 L CB -0.223 41.811 42.059 -0.042 0.000 0.894 694 L HN 0.276 nan 8.230 nan 0.000 0.437 695 L N -1.706 119.565 121.223 0.081 0.000 2.416 695 L HA -0.066 4.269 4.340 -0.009 0.000 0.216 695 L C 2.397 179.330 176.870 0.106 0.000 1.098 695 L CA 0.237 55.144 54.840 0.111 0.000 0.840 695 L CB -0.289 41.807 42.059 0.060 0.000 0.981 695 L HN 0.116 nan 8.230 nan 0.000 0.462 696 K N 1.009 121.456 120.400 0.078 0.000 2.113 696 K HA -0.118 4.197 4.320 -0.009 0.000 0.208 696 K C 0.420 177.083 176.600 0.104 0.000 1.047 696 K CA 1.131 57.461 56.287 0.070 0.000 0.928 696 K CB -0.055 32.475 32.500 0.050 0.000 0.716 696 K HN 0.347 nan 8.250 nan 0.000 0.446 697 R N 1.438 122.038 120.500 0.168 0.000 2.312 697 R HA 0.121 4.456 4.340 -0.009 0.000 0.311 697 R C -0.790 175.669 176.300 0.266 0.000 1.004 697 R CA -0.467 55.782 56.100 0.248 0.000 0.902 697 R CB 0.789 31.356 30.300 0.444 0.000 1.073 697 R HN -0.050 nan 8.270 nan 0.000 0.457 698 D N 2.846 123.328 120.400 0.137 0.000 2.598 698 D HA -0.020 4.615 4.640 -0.009 0.000 0.231 698 D C -0.106 176.215 176.300 0.035 0.000 1.127 698 D CA 0.438 54.489 54.000 0.085 0.000 1.126 698 D CB -0.136 40.676 40.800 0.020 0.000 1.124 698 D HN 0.388 nan 8.370 nan 0.000 0.485 699 F N -0.137 119.856 119.950 0.073 0.000 2.103 699 F HA 0.034 4.556 4.527 -0.008 0.000 0.278 699 F C 1.321 177.152 175.800 0.052 0.000 1.176 699 F CA 0.515 58.554 58.000 0.064 0.000 1.116 699 F CB -0.320 38.763 39.000 0.139 0.000 1.030 699 F HN 0.187 nan 8.300 nan 0.000 0.498 700 Y N 1.058 121.497 120.300 0.232 0.000 2.544 700 Y HA 0.065 4.610 4.550 -0.009 0.000 0.356 700 Y C 0.593 176.531 175.900 0.063 0.000 1.173 700 Y CA -0.178 57.995 58.100 0.121 0.000 1.318 700 Y CB -1.644 36.878 38.460 0.103 0.000 1.207 700 Y HN -0.115 nan 8.280 nan 0.000 0.490 701 T N 0.371 115.015 114.554 0.151 0.000 2.913 701 T HA 0.365 4.709 4.350 -0.009 0.000 0.297 701 T C 0.221 174.966 174.700 0.076 0.000 1.029 701 T CA -0.457 61.704 62.100 0.101 0.000 1.104 701 T CB 0.895 69.804 68.868 0.068 0.000 0.964 701 T HN 0.336 nan 8.240 nan 0.000 0.532 702 S N 1.395 117.143 115.700 0.081 0.000 2.541 702 S HA 0.658 5.123 4.470 -0.009 0.000 0.280 702 S C -0.843 173.816 174.600 0.098 0.000 1.112 702 S CA -1.000 57.248 58.200 0.081 0.000 0.925 702 S CB 1.026 64.287 63.200 0.102 0.000 1.067 702 S HN 0.593 nan 8.310 nan 0.000 0.479 703 I N 3.166 123.794 120.570 0.097 0.000 2.347 703 I HA 0.283 4.448 4.170 -0.009 0.000 0.283 703 I C -0.066 176.145 176.117 0.157 0.000 1.058 703 I CA -0.377 61.001 61.300 0.129 0.000 1.202 703 I CB 0.472 38.546 38.000 0.123 0.000 1.386 703 I HN 0.824 nan 8.210 nan 0.000 0.475 704 H N 6.838 125.965 119.070 0.095 0.000 2.483 704 H HA 0.648 5.198 4.556 -0.009 0.000 0.338 704 H C -0.933 174.470 175.328 0.124 0.000 1.152 704 H CA -0.285 55.829 56.048 0.110 0.000 1.264 704 H CB 1.380 31.204 29.762 0.103 0.000 1.510 704 H HN 0.403 nan 8.280 nan 0.000 0.530 705 I N 3.348 123.703 120.570 -0.358 0.000 2.499 705 I HA 0.187 4.352 4.170 -0.009 0.000 0.288 705 I C -0.842 175.231 176.117 -0.074 0.000 1.048 705 I CA -0.762 60.500 61.300 -0.063 0.000 1.062 705 I CB 1.948 39.960 38.000 0.020 0.000 1.238 705 I HN 0.620 nan 8.210 nan 0.000 0.426 706 E N 6.038 126.342 120.200 0.172 0.000 2.191 706 E HA 0.405 4.749 4.350 -0.009 0.000 0.274 706 E C -0.804 175.836 176.600 0.066 0.000 0.948 706 E CA -0.715 55.763 56.400 0.130 0.000 0.802 706 E CB 1.563 31.372 29.700 0.182 0.000 1.137 706 E HN 0.442 nan 8.360 nan 0.000 0.397 707 R N 4.572 124.993 120.500 -0.132 0.000 2.275 707 R HA 0.264 4.598 4.340 -0.009 0.000 0.326 707 R C -1.140 174.966 176.300 -0.323 0.000 0.973 707 R CA -0.510 55.431 56.100 -0.264 0.000 0.854 707 R CB 0.192 30.299 30.300 -0.322 0.000 1.156 707 R HN 0.496 nan 8.270 nan 0.000 0.487 708 Y N 1.850 122.023 120.300 -0.212 0.000 2.301 708 Y HA 0.315 4.859 4.550 -0.009 0.000 0.325 708 Y C 0.609 176.406 175.900 -0.170 0.000 1.203 708 Y CA -0.282 57.734 58.100 -0.140 0.000 1.255 708 Y CB 1.103 39.504 38.460 -0.099 0.000 1.232 708 Y HN 0.584 nan 8.280 nan 0.000 0.501 709 E N 1.841 122.040 120.200 -0.002 0.000 2.458 709 E HA 0.790 5.135 4.350 -0.009 0.000 0.278 709 E C -1.888 174.711 176.600 -0.002 0.000 1.004 709 E CA -0.830 55.553 56.400 -0.028 0.000 0.823 709 E CB 2.780 32.444 29.700 -0.059 0.000 1.396 709 E HN 0.657 nan 8.360 nan 0.000 0.463 710 I N 0.498 121.065 120.570 -0.005 0.000 2.793 710 I HA 0.214 4.378 4.170 -0.009 0.000 0.295 710 I C -1.931 174.187 176.117 0.001 0.000 1.610 710 I CA -0.254 61.046 61.300 0.001 0.000 0.986 710 I CB 1.890 39.892 38.000 0.004 0.000 1.402 710 I HN 0.609 nan 8.210 nan 0.000 0.500 711 E N 3.898 124.100 120.200 0.004 0.000 2.277 711 E HA 0.708 5.052 4.350 -0.009 0.000 0.266 711 E C -1.109 175.497 176.600 0.009 0.000 0.901 711 E CA -1.075 55.329 56.400 0.007 0.000 0.782 711 E CB 2.131 31.837 29.700 0.010 0.000 1.228 711 E HN 0.557 nan 8.360 nan 0.000 0.424 712 A N 2.942 125.770 122.820 0.012 0.000 2.582 712 A HA 0.295 4.610 4.320 -0.009 0.000 0.336 712 A C -0.089 177.510 177.584 0.025 0.000 1.445 712 A CA -0.446 51.601 52.037 0.016 0.000 0.997 712 A CB -0.046 18.963 19.000 0.015 0.000 1.148 712 A HN 0.463 nan 8.150 nan 0.000 0.514 713 R N 0.900 121.418 120.500 0.029 0.000 2.615 713 R HA 0.209 4.544 4.340 -0.009 0.000 0.270 713 R C -0.793 175.535 176.300 0.048 0.000 1.081 713 R CA -0.348 55.772 56.100 0.034 0.000 1.154 713 R CB 0.734 31.053 30.300 0.033 0.000 1.063 713 R HN 0.656 nan 8.270 nan 0.000 0.519 714 D N 1.167 121.593 120.400 0.043 0.000 2.493 714 D HA 0.090 4.724 4.640 -0.009 0.000 0.235 714 D C -0.910 175.417 176.300 0.045 0.000 1.117 714 D CA -0.238 53.791 54.000 0.048 0.000 0.930 714 D CB 0.580 41.401 40.800 0.036 0.000 1.010 714 D HN 0.266 nan 8.370 nan 0.000 0.514 715 T N 3.272 117.864 114.554 0.064 0.000 2.897 715 T HA 0.098 4.443 4.350 -0.009 0.000 0.294 715 T C 1.408 176.122 174.700 0.022 0.000 1.004 715 T CA -0.662 61.471 62.100 0.054 0.000 1.106 715 T CB 1.382 70.303 68.868 0.089 0.000 0.949 715 T HN 0.135 nan 8.240 nan 0.000 0.520 716 K N 2.036 122.435 120.400 -0.000 0.000 2.585 716 K HA 0.068 4.382 4.320 -0.009 0.000 0.194 716 K C 1.202 177.754 176.600 -0.081 0.000 1.037 716 K CA 0.557 56.824 56.287 -0.034 0.000 0.964 716 K CB -0.263 32.223 32.500 -0.024 0.000 0.787 716 K HN 0.570 nan 8.250 nan 0.000 0.488 717 L N -0.445 120.732 121.223 -0.077 0.000 2.628 717 L HA 0.152 4.486 4.340 -0.009 0.000 0.229 717 L C 0.607 177.160 176.870 -0.528 0.000 1.137 717 L CA -0.194 54.543 54.840 -0.172 0.000 0.909 717 L CB 0.111 42.167 42.059 -0.004 0.000 1.137 717 L HN 0.162 nan 8.230 nan 0.000 0.470 718 G N -0.060 108.537 108.800 -0.338 0.000 2.525 718 G HA2 -0.073 3.881 3.960 -0.009 0.000 0.685 718 G HA3 -0.073 3.881 3.960 -0.009 0.000 0.685 718 G C -3.155 171.887 174.900 0.238 0.000 1.285 718 G CA -1.278 43.585 45.100 -0.396 0.000 0.849 718 G HN -0.235 nan 8.290 nan 0.000 0.653 719 P HA 0.237 nan 4.420 nan 0.000 0.267 719 P C -0.073 177.376 177.300 0.248 0.000 1.209 719 P CA 0.311 63.540 63.100 0.214 0.000 0.763 719 P CB 0.503 32.284 31.700 0.136 0.000 0.816 720 E N 4.118 124.401 120.200 0.138 0.000 1.944 720 E HA 0.058 4.402 4.350 -0.009 0.000 0.272 720 E C 0.306 176.913 176.600 0.010 0.000 1.195 720 E CA -0.102 56.326 56.400 0.047 0.000 0.926 720 E CB 0.252 29.972 29.700 0.034 0.000 1.051 720 E HN 0.296 nan 8.360 nan 0.000 0.404 721 R N 1.826 122.312 120.500 -0.024 0.000 2.893 721 R HA 0.226 4.561 4.340 -0.009 0.000 0.279 721 R C 0.766 177.047 176.300 -0.031 0.000 1.076 721 R CA 0.171 56.257 56.100 -0.023 0.000 1.203 721 R CB 0.483 30.758 30.300 -0.042 0.000 1.137 721 R HN 0.521 nan 8.270 nan 0.000 0.541 722 I N 0.888 121.444 120.570 -0.022 0.000 2.931 722 I HA 0.095 4.259 4.170 -0.009 0.000 0.322 722 I C -0.478 175.626 176.117 -0.022 0.000 1.446 722 I CA -0.011 61.276 61.300 -0.021 0.000 0.825 722 I CB 0.781 38.775 38.000 -0.010 0.000 2.195 722 I HN 0.553 nan 8.210 nan 0.000 0.608 723 T N 0.932 115.467 114.554 -0.031 0.000 2.862 723 T HA 0.308 4.652 4.350 -0.009 0.000 0.276 723 T C 0.625 175.306 174.700 -0.031 0.000 0.974 723 T CA -0.546 61.536 62.100 -0.029 0.000 0.966 723 T CB 1.346 70.193 68.868 -0.034 0.000 1.072 723 T HN 0.581 nan 8.240 nan 0.000 0.538 724 R N 1.656 122.140 120.500 -0.028 0.000 4.031 724 R HA 0.205 4.539 4.340 -0.009 0.000 0.269 724 R C -1.121 175.161 176.300 -0.031 0.000 1.668 724 R CA -0.308 55.775 56.100 -0.027 0.000 1.432 724 R CB -0.665 29.621 30.300 -0.022 0.000 1.374 724 R HN 0.481 nan 8.270 nan 0.000 0.681 725 D N 1.372 121.749 120.400 -0.039 0.000 2.696 725 D HA 0.250 4.885 4.640 -0.009 0.000 0.251 725 D C -0.339 175.929 176.300 -0.054 0.000 1.188 725 D CA -0.324 53.648 54.000 -0.046 0.000 0.876 725 D CB 1.786 42.554 40.800 -0.053 0.000 1.334 725 D HN 0.233 nan 8.370 nan 0.000 0.540 726 I N 2.957 123.498 120.570 -0.048 0.000 2.750 726 I HA 0.166 4.330 4.170 -0.009 0.000 0.279 726 I C -1.478 174.608 176.117 -0.052 0.000 1.206 726 I CA -1.584 59.689 61.300 -0.045 0.000 1.101 726 I CB 1.234 39.217 38.000 -0.027 0.000 1.431 726 I HN 0.048 nan 8.210 nan 0.000 0.551 727 P HA -0.325 nan 4.420 nan 0.000 0.231 727 P C 1.399 178.584 177.300 -0.193 0.000 1.032 727 P CA 1.882 64.878 63.100 -0.174 0.000 1.048 727 P CB -0.017 31.533 31.700 -0.250 0.000 0.731 728 H N -2.700 116.350 119.070 -0.034 0.000 2.284 728 H HA 0.048 4.598 4.556 -0.009 0.000 0.304 728 H C 1.620 176.929 175.328 -0.033 0.000 1.069 728 H CA 1.195 57.222 56.048 -0.035 0.000 1.327 728 H CB -0.433 29.305 29.762 -0.040 0.000 1.387 728 H HN 0.061 nan 8.280 nan 0.000 0.498 729 L N -0.007 121.278 121.223 0.103 0.000 3.039 729 L HA 0.174 4.509 4.340 -0.009 0.000 0.269 729 L C 0.591 177.474 176.870 0.022 0.000 1.169 729 L CA 0.287 55.157 54.840 0.049 0.000 0.986 729 L CB 0.142 42.217 42.059 0.027 0.000 1.377 729 L HN 0.163 nan 8.230 nan 0.000 0.575 730 S N -1.648 114.060 115.700 0.013 0.000 2.656 730 S HA 0.529 4.994 4.470 -0.009 0.000 0.273 730 S C 0.169 174.767 174.600 -0.003 0.000 1.168 730 S CA -0.260 57.942 58.200 0.004 0.000 0.817 730 S CB 2.785 65.985 63.200 0.000 0.000 1.146 730 S HN -0.062 nan 8.310 nan 0.000 0.475 731 E N 0.040 120.237 120.200 -0.005 0.000 2.500 731 E HA 0.455 4.800 4.350 -0.009 0.000 0.217 731 E C 1.626 178.221 176.600 -0.009 0.000 0.848 731 E CA 0.802 57.197 56.400 -0.008 0.000 1.217 731 E CB -0.069 29.627 29.700 -0.006 0.000 1.217 731 E HN 0.768 nan 8.360 nan 0.000 0.573 732 A N 0.763 123.578 122.820 -0.008 0.000 2.070 732 A HA 0.113 4.427 4.320 -0.009 0.000 0.220 732 A C 2.006 179.582 177.584 -0.013 0.000 1.159 732 A CA 1.625 53.657 52.037 -0.009 0.000 0.656 732 A CB -0.504 18.492 19.000 -0.007 0.000 0.800 732 A HN 0.282 nan 8.150 nan 0.000 0.453 733 A N -1.438 121.374 122.820 -0.013 0.000 2.423 733 A HA 0.519 4.834 4.320 -0.009 0.000 0.246 733 A C 1.257 178.829 177.584 -0.021 0.000 1.278 733 A CA -0.015 52.011 52.037 -0.018 0.000 0.903 733 A CB -0.009 18.981 19.000 -0.017 0.000 0.997 733 A HN 0.312 nan 8.150 nan 0.000 0.510 734 L N -0.970 120.242 121.223 -0.019 0.000 2.575 734 L HA 0.169 4.504 4.340 -0.009 0.000 0.228 734 L C 2.068 178.925 176.870 -0.021 0.000 1.075 734 L CA 0.683 55.511 54.840 -0.021 0.000 0.867 734 L CB -1.024 41.024 42.059 -0.019 0.000 1.097 734 L HN 0.444 nan 8.230 nan 0.000 0.485 735 R N 0.677 121.165 120.500 -0.020 0.000 2.358 735 R HA -0.282 4.053 4.340 -0.009 0.000 0.215 735 R C 1.652 177.938 176.300 -0.023 0.000 1.059 735 R CA 2.196 58.284 56.100 -0.020 0.000 0.817 735 R CB -0.741 29.547 30.300 -0.019 0.000 0.823 735 R HN 0.185 nan 8.270 nan 0.000 0.424 736 D N 0.398 120.782 120.400 -0.027 0.000 2.248 736 D HA -0.204 4.430 4.640 -0.009 0.000 0.191 736 D C 1.895 178.176 176.300 -0.031 0.000 1.013 736 D CA 1.499 55.480 54.000 -0.032 0.000 0.883 736 D CB -0.320 40.456 40.800 -0.039 0.000 0.915 736 D HN 0.121 nan 8.370 nan 0.000 0.448 737 L N 0.677 121.881 121.223 -0.030 0.000 2.127 737 L HA -0.176 4.159 4.340 -0.009 0.000 0.211 737 L C 1.519 178.374 176.870 -0.024 0.000 1.089 737 L CA 1.422 56.245 54.840 -0.029 0.000 0.757 737 L CB -0.454 41.588 42.059 -0.028 0.000 0.899 737 L HN 0.071 nan 8.230 nan 0.000 0.434 738 D N -0.719 119.668 120.400 -0.022 0.000 4.266 738 D HA -0.268 4.367 4.640 -0.009 0.000 0.296 738 D C 0.551 176.841 176.300 -0.017 0.000 0.601 738 D CA 2.133 56.122 54.000 -0.019 0.000 0.963 738 D CB -0.628 40.160 40.800 -0.019 0.000 0.415 738 D HN 0.322 nan 8.370 nan 0.000 0.337 739 E N 2.541 122.731 120.200 -0.016 0.000 2.481 739 E HA -0.009 4.336 4.350 -0.009 0.000 0.263 739 E C 0.005 176.597 176.600 -0.014 0.000 0.992 739 E CA 0.560 56.952 56.400 -0.013 0.000 0.938 739 E CB -0.015 29.678 29.700 -0.012 0.000 0.933 739 E HN 0.314 nan 8.360 nan 0.000 0.453 740 E N 1.437 121.629 120.200 -0.012 0.000 2.311 740 E HA 0.112 4.457 4.350 -0.009 0.000 0.247 740 E C 0.848 177.440 176.600 -0.014 0.000 1.215 740 E CA 0.604 56.995 56.400 -0.013 0.000 0.957 740 E CB -0.187 29.506 29.700 -0.011 0.000 1.020 740 E HN 0.758 nan 8.360 nan 0.000 0.461 741 G N 2.042 110.832 108.800 -0.017 0.000 2.134 741 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.225 741 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.225 741 G C 0.183 175.072 174.900 -0.019 0.000 1.944 741 G CA -0.314 44.775 45.100 -0.018 0.000 1.512 741 G HN 0.406 nan 8.290 nan 0.000 0.493 742 V N 1.987 121.892 119.914 -0.014 0.000 3.096 742 V HA 0.463 4.578 4.120 -0.009 0.000 0.306 742 V C 1.398 177.480 176.094 -0.020 0.000 1.088 742 V CA 0.242 62.533 62.300 -0.015 0.000 1.129 742 V CB 1.509 33.328 31.823 -0.006 0.000 1.014 742 V HN 1.037 nan 8.190 nan 0.000 0.486 743 V N 4.204 124.103 119.914 -0.026 0.000 2.607 743 V HA 0.414 4.529 4.120 -0.009 0.000 0.289 743 V C 0.600 176.679 176.094 -0.026 0.000 1.053 743 V CA -0.777 61.504 62.300 -0.032 0.000 0.996 743 V CB 1.422 33.217 31.823 -0.047 0.000 0.995 743 V HN 1.034 nan 8.190 nan 0.000 0.476 744 R N 6.554 127.038 120.500 -0.026 0.000 2.537 744 R HA 0.312 4.647 4.340 -0.009 0.000 0.280 744 R C -0.192 176.091 176.300 -0.028 0.000 1.058 744 R CA -0.348 55.738 56.100 -0.024 0.000 1.057 744 R CB 0.089 30.374 30.300 -0.024 0.000 0.973 744 R HN 0.518 nan 8.270 nan 0.000 0.438 745 I N 2.185 122.739 120.570 -0.027 0.000 3.003 745 I HA 0.057 4.222 4.170 -0.009 0.000 0.294 745 I C 1.473 177.567 176.117 -0.038 0.000 1.237 745 I CA 0.975 62.255 61.300 -0.034 0.000 1.417 745 I CB -0.698 37.279 38.000 -0.039 0.000 1.340 745 I HN 1.020 nan 8.210 nan 0.000 0.594 746 G N 4.079 112.853 108.800 -0.044 0.000 2.272 746 G HA2 0.020 3.975 3.960 -0.009 0.000 0.280 746 G HA3 0.020 3.975 3.960 -0.009 0.000 0.280 746 G C 0.141 175.019 174.900 -0.038 0.000 1.067 746 G CA 0.184 45.257 45.100 -0.044 0.000 0.902 746 G HN 1.273 nan 8.290 nan 0.000 0.500 747 A N 0.029 122.825 122.820 -0.039 0.000 2.363 747 A HA 0.710 5.025 4.320 -0.009 0.000 0.296 747 A C 0.157 177.715 177.584 -0.043 0.000 1.237 747 A CA -0.027 51.987 52.037 -0.039 0.000 0.773 747 A CB 0.775 19.752 19.000 -0.040 0.000 1.153 747 A HN 0.637 nan 8.150 nan 0.000 0.473 748 E N 2.703 122.881 120.200 -0.036 0.000 2.161 748 E HA 0.229 4.574 4.350 -0.009 0.000 0.263 748 E C 0.083 176.655 176.600 -0.046 0.000 1.185 748 E CA -0.269 56.109 56.400 -0.036 0.000 0.938 748 E CB 0.136 29.821 29.700 -0.025 0.000 1.023 748 E HN 0.634 nan 8.360 nan 0.000 0.433 749 V N 2.984 122.858 119.914 -0.067 0.000 2.381 749 V HA 0.185 4.300 4.120 -0.009 0.000 0.257 749 V C 0.242 176.291 176.094 -0.075 0.000 1.057 749 V CA -0.578 61.670 62.300 -0.086 0.000 1.013 749 V CB 0.339 32.078 31.823 -0.139 0.000 1.069 749 V HN 0.500 nan 8.190 nan 0.000 0.484 750 K N 6.236 126.604 120.400 -0.053 0.000 2.326 750 K HA 0.363 4.677 4.320 -0.009 0.000 0.275 750 K C -2.460 174.113 176.600 -0.045 0.000 1.018 750 K CA -1.790 54.473 56.287 -0.039 0.000 0.962 750 K CB 0.581 33.065 32.500 -0.027 0.000 0.953 750 K HN 0.484 nan 8.250 nan 0.000 0.475 751 P HA -0.063 nan 4.420 nan 0.000 0.258 751 P C 0.045 177.327 177.300 -0.030 0.000 1.172 751 P CA 1.146 64.229 63.100 -0.029 0.000 0.762 751 P CB 0.485 32.183 31.700 -0.004 0.000 0.764 752 G N 2.106 110.881 108.800 -0.042 0.000 2.229 752 G HA2 -0.144 3.811 3.960 -0.009 0.000 0.189 752 G HA3 -0.144 3.811 3.960 -0.009 0.000 0.189 752 G C -0.129 174.746 174.900 -0.042 0.000 1.000 752 G CA -0.496 44.582 45.100 -0.038 0.000 0.663 752 G HN 0.457 nan 8.290 nan 0.000 0.493 753 D N 1.209 121.577 120.400 -0.054 0.000 2.313 753 D HA 0.477 5.112 4.640 -0.009 0.000 0.247 753 D C 1.148 177.408 176.300 -0.066 0.000 1.094 753 D CA -0.341 53.625 54.000 -0.057 0.000 0.925 753 D CB 0.828 41.591 40.800 -0.063 0.000 1.188 753 D HN 0.144 nan 8.370 nan 0.000 0.430 754 I N 1.972 122.508 120.570 -0.056 0.000 2.533 754 I HA -0.007 4.158 4.170 -0.009 0.000 0.284 754 I C 1.439 177.514 176.117 -0.071 0.000 1.109 754 I CA 0.240 61.507 61.300 -0.055 0.000 1.412 754 I CB 0.174 38.148 38.000 -0.043 0.000 1.396 754 I HN 0.352 nan 8.210 nan 0.000 0.543 755 L N 5.854 127.029 121.223 -0.079 0.000 2.408 755 L HA 0.263 4.597 4.340 -0.009 0.000 0.215 755 L C 0.111 176.944 176.870 -0.061 0.000 1.081 755 L CA 0.536 55.319 54.840 -0.096 0.000 0.840 755 L CB 0.623 42.598 42.059 -0.140 0.000 1.002 755 L HN 0.414 nan 8.230 nan 0.000 0.468 756 V N -1.221 118.666 119.914 -0.045 0.000 3.098 756 V HA 0.478 4.593 4.120 -0.009 0.000 0.294 756 V C -0.378 175.698 176.094 -0.031 0.000 1.351 756 V CA -0.786 61.495 62.300 -0.032 0.000 0.999 756 V CB 1.866 33.676 31.823 -0.022 0.000 1.104 756 V HN 0.058 nan 8.190 nan 0.000 0.438 757 G N 2.030 110.812 108.800 -0.029 0.000 2.367 757 G HA2 0.782 4.737 3.960 -0.009 0.000 0.314 757 G HA3 0.782 4.737 3.960 -0.009 0.000 0.314 757 G C -0.839 174.040 174.900 -0.035 0.000 1.130 757 G CA -0.433 44.647 45.100 -0.033 0.000 0.864 757 G HN 0.704 nan 8.290 nan 0.000 0.486 758 R N -0.032 120.443 120.500 -0.042 0.000 2.707 758 R HA 0.649 4.983 4.340 -0.009 0.000 0.272 758 R C -1.102 175.155 176.300 -0.072 0.000 1.011 758 R CA -0.598 55.473 56.100 -0.048 0.000 0.893 758 R CB 2.161 32.441 30.300 -0.033 0.000 1.233 758 R HN 0.712 nan 8.270 nan 0.000 0.464 759 T N -0.423 114.071 114.554 -0.100 0.000 2.879 759 T HA 0.542 4.887 4.350 -0.009 0.000 0.290 759 T C -0.470 174.096 174.700 -0.222 0.000 0.993 759 T CA -0.743 61.256 62.100 -0.169 0.000 0.975 759 T CB 1.561 70.295 68.868 -0.224 0.000 0.981 759 T HN 0.540 nan 8.240 nan 0.000 0.439 760 S N 1.828 117.399 115.700 -0.214 0.000 2.689 760 S HA 0.815 5.279 4.470 -0.009 0.000 0.306 760 S C -0.950 173.488 174.600 -0.270 0.000 1.104 760 S CA -1.051 57.053 58.200 -0.160 0.000 0.973 760 S CB 0.820 64.005 63.200 -0.025 0.000 1.121 760 S HN 0.556 nan 8.310 nan 0.000 0.523 761 F N 1.916 121.867 119.950 0.002 0.000 2.350 761 F HA 0.487 5.009 4.527 -0.009 0.000 0.365 761 F C 1.567 177.370 175.800 0.005 0.000 1.122 761 F CA -0.819 57.182 58.000 0.002 0.000 1.139 761 F CB 0.954 39.955 39.000 0.002 0.000 1.220 761 F HN 0.815 nan 8.300 nan 0.000 0.499 762 K N 2.578 123.056 120.400 0.130 0.000 2.057 762 K HA -0.235 4.080 4.320 -0.009 0.000 0.230 762 K C 1.233 177.883 176.600 0.082 0.000 0.885 762 K CA 1.756 58.095 56.287 0.086 0.000 1.000 762 K CB -0.633 31.910 32.500 0.072 0.000 0.664 762 K HN 0.828 nan 8.250 nan 0.000 0.621 763 G N 0.120 108.969 108.800 0.080 0.000 2.594 763 G HA2 -0.075 3.880 3.960 -0.009 0.000 0.243 763 G HA3 -0.075 3.880 3.960 -0.009 0.000 0.243 763 G C 0.468 175.400 174.900 0.053 0.000 1.229 763 G CA -0.366 44.768 45.100 0.057 0.000 0.843 763 G HN 0.488 nan 8.290 nan 0.000 0.578 764 E N -0.244 119.978 120.200 0.037 0.000 2.118 764 E HA -0.090 4.255 4.350 -0.009 0.000 0.195 764 E C 1.349 177.962 176.600 0.021 0.000 0.992 764 E CA 1.681 58.098 56.400 0.029 0.000 0.804 764 E CB 0.218 29.930 29.700 0.021 0.000 0.741 764 E HN 0.405 nan 8.360 nan 0.000 0.458 765 S N -1.012 114.698 115.700 0.018 0.000 2.423 765 S HA 0.041 4.506 4.470 -0.009 0.000 0.243 765 S C -0.725 173.880 174.600 0.007 0.000 0.939 765 S CA -0.313 57.890 58.200 0.005 0.000 1.552 765 S CB 0.739 63.938 63.200 -0.001 0.000 1.245 765 S HN 0.034 nan 8.310 nan 0.000 0.635 766 E N 1.382 121.592 120.200 0.017 0.000 2.369 766 E HA 0.693 5.038 4.350 -0.009 0.000 0.270 766 E C -2.689 173.927 176.600 0.027 0.000 0.909 766 E CA -1.758 54.653 56.400 0.018 0.000 0.775 766 E CB 0.323 30.031 29.700 0.014 0.000 1.270 766 E HN -0.050 nan 8.360 nan 0.000 0.445 767 P HA 0.482 nan 4.420 nan 0.000 0.343 767 P C -0.848 176.469 177.300 0.029 0.000 1.358 767 P CA -0.480 62.640 63.100 0.033 0.000 0.802 767 P CB 0.483 32.202 31.700 0.031 0.000 1.886 768 T N -2.417 112.154 114.554 0.029 0.000 3.012 768 T HA 0.266 4.611 4.350 -0.009 0.000 0.330 768 T C -2.470 172.245 174.700 0.025 0.000 1.321 768 T CA -0.848 61.267 62.100 0.025 0.000 1.067 768 T CB 1.189 70.073 68.868 0.026 0.000 1.235 768 T HN 0.003 nan 8.240 nan 0.000 0.479 769 P HA -0.068 nan 4.420 nan 0.000 0.210 769 P C 1.544 178.858 177.300 0.023 0.000 1.189 769 P CA 1.059 64.171 63.100 0.021 0.000 0.920 769 P CB 0.232 31.942 31.700 0.017 0.000 0.782 770 E N -0.275 119.938 120.200 0.021 0.000 2.118 770 E HA -0.238 4.107 4.350 -0.009 0.000 0.195 770 E C 1.897 178.513 176.600 0.027 0.000 0.992 770 E CA 1.033 57.446 56.400 0.022 0.000 0.804 770 E CB -0.403 29.307 29.700 0.016 0.000 0.741 770 E HN 0.481 nan 8.360 nan 0.000 0.458 771 E N 0.732 120.948 120.200 0.027 0.000 2.511 771 E HA -0.120 4.225 4.350 -0.009 0.000 0.196 771 E C 1.869 178.495 176.600 0.043 0.000 1.066 771 E CA 0.060 56.480 56.400 0.033 0.000 0.871 771 E CB 0.220 29.940 29.700 0.034 0.000 0.863 771 E HN -0.057 nan 8.360 nan 0.000 0.520 772 R N -0.006 120.518 120.500 0.039 0.000 2.074 772 R HA 0.016 4.350 4.340 -0.009 0.000 0.218 772 R C 2.149 178.478 176.300 0.049 0.000 1.137 772 R CA 0.751 56.875 56.100 0.042 0.000 0.998 772 R CB -0.749 29.572 30.300 0.033 0.000 0.895 772 R HN 0.243 nan 8.270 nan 0.000 0.442 773 L N 0.823 122.074 121.223 0.046 0.000 1.989 773 L HA -0.124 4.210 4.340 -0.009 0.000 0.211 773 L C 1.999 178.916 176.870 0.079 0.000 1.071 773 L CA 1.755 56.627 54.840 0.053 0.000 0.749 773 L CB -0.863 41.224 42.059 0.046 0.000 0.890 773 L HN 0.388 nan 8.230 nan 0.000 0.431 774 L N -0.136 121.133 121.223 0.077 0.000 1.941 774 L HA -0.292 4.043 4.340 -0.009 0.000 0.224 774 L C 2.689 179.642 176.870 0.137 0.000 1.081 774 L CA 2.055 56.954 54.840 0.099 0.000 0.784 774 L CB -1.052 41.036 42.059 0.048 0.000 0.894 774 L HN 0.406 nan 8.230 nan 0.000 0.436 775 R N -0.166 120.394 120.500 0.101 0.000 2.204 775 R HA -0.159 4.176 4.340 -0.009 0.000 0.253 775 R C 2.196 178.574 176.300 0.131 0.000 1.172 775 R CA 1.556 57.724 56.100 0.112 0.000 0.994 775 R CB -0.691 29.658 30.300 0.081 0.000 0.874 775 R HN 0.513 nan 8.270 nan 0.000 0.462 776 S N 0.572 116.339 115.700 0.113 0.000 2.414 776 S HA 0.075 4.540 4.470 -0.009 0.000 0.227 776 S C 1.983 176.643 174.600 0.100 0.000 1.022 776 S CA 0.351 58.604 58.200 0.090 0.000 0.958 776 S CB 0.031 63.266 63.200 0.059 0.000 0.797 776 S HN 0.232 nan 8.310 nan 0.000 0.493 777 I N 0.186 120.849 120.570 0.155 0.000 2.264 777 I HA -0.157 4.008 4.170 -0.009 0.000 0.248 777 I C 0.879 176.981 176.117 -0.025 0.000 1.111 777 I CA 1.398 62.756 61.300 0.096 0.000 1.382 777 I CB -0.220 37.911 38.000 0.220 0.000 1.060 777 I HN 0.242 nan 8.210 nan 0.000 0.418 778 F N 0.426 120.387 119.950 0.018 0.000 2.654 778 F HA 0.429 4.950 4.527 -0.009 0.000 0.303 778 F C 0.888 176.698 175.800 0.016 0.000 1.099 778 F CA -0.317 57.693 58.000 0.018 0.000 1.270 778 F CB 0.606 39.620 39.000 0.024 0.000 1.024 778 F HN 0.015 nan 8.300 nan 0.000 0.548 779 G N 1.018 109.905 108.800 0.145 0.000 2.328 779 G HA2 -0.114 3.840 3.960 -0.009 0.000 0.244 779 G HA3 -0.114 3.840 3.960 -0.009 0.000 0.244 779 G C 0.694 175.642 174.900 0.079 0.000 1.317 779 G CA -0.147 45.007 45.100 0.089 0.000 1.261 779 G HN 0.419 nan 8.290 nan 0.000 0.648 780 E N 0.446 120.684 120.200 0.064 0.000 2.169 780 E HA -0.206 4.138 4.350 -0.009 0.000 0.202 780 E C 0.896 177.520 176.600 0.040 0.000 1.016 780 E CA 1.051 57.484 56.400 0.054 0.000 0.817 780 E CB -0.072 29.652 29.700 0.041 0.000 0.736 780 E HN 0.547 nan 8.360 nan 0.000 0.462 781 K N 1.532 121.951 120.400 0.032 0.000 2.245 781 K HA 0.338 4.652 4.320 -0.009 0.000 0.281 781 K C -0.817 175.793 176.600 0.016 0.000 1.079 781 K CA 0.120 56.421 56.287 0.022 0.000 1.000 781 K CB 0.764 33.275 32.500 0.018 0.000 1.038 781 K HN 0.247 nan 8.250 nan 0.000 0.430 782 A N 3.222 126.047 122.820 0.007 0.000 2.488 782 A HA 0.316 4.631 4.320 -0.009 0.000 0.298 782 A C -0.623 176.941 177.584 -0.033 0.000 1.044 782 A CA -0.872 51.153 52.037 -0.019 0.000 0.693 782 A CB 1.054 20.043 19.000 -0.019 0.000 1.272 782 A HN 0.738 nan 8.150 nan 0.000 0.402 783 R N 1.658 122.121 120.500 -0.062 0.000 2.543 783 R HA -0.010 4.325 4.340 -0.009 0.000 0.348 783 R C -0.828 175.429 176.300 -0.071 0.000 0.981 783 R CA 0.091 56.152 56.100 -0.064 0.000 1.019 783 R CB -0.047 30.197 30.300 -0.094 0.000 0.944 783 R HN 0.608 nan 8.270 nan 0.000 0.425 784 D N 3.206 123.595 120.400 -0.018 0.000 2.841 784 D HA -0.005 4.629 4.640 -0.009 0.000 0.244 784 D C 0.162 176.466 176.300 0.005 0.000 1.228 784 D CA 0.277 54.281 54.000 0.007 0.000 0.872 784 D CB 0.112 40.942 40.800 0.049 0.000 1.082 784 D HN 0.165 nan 8.370 nan 0.000 0.457 785 V N -0.269 119.596 119.914 -0.081 0.000 3.369 785 V HA 0.475 4.590 4.120 -0.009 0.000 0.301 785 V C -0.205 175.810 176.094 -0.133 0.000 1.184 785 V CA -0.678 61.514 62.300 -0.180 0.000 1.013 785 V CB 2.505 34.148 31.823 -0.301 0.000 1.230 785 V HN -0.062 nan 8.190 nan 0.000 0.464 786 K N 0.433 120.738 120.400 -0.158 0.000 2.400 786 K HA 0.460 4.775 4.320 -0.009 0.000 0.246 786 K C -1.812 174.737 176.600 -0.085 0.000 0.995 786 K CA -0.714 55.524 56.287 -0.081 0.000 0.840 786 K CB 1.738 34.212 32.500 -0.043 0.000 1.293 786 K HN 0.728 nan 8.250 nan 0.000 0.445 787 D N 1.068 121.444 120.400 -0.040 0.000 2.427 787 D HA 0.170 4.805 4.640 -0.009 0.000 0.226 787 D C -1.001 175.282 176.300 -0.029 0.000 1.076 787 D CA -0.297 53.679 54.000 -0.039 0.000 0.849 787 D CB 1.037 41.827 40.800 -0.017 0.000 1.052 787 D HN 0.490 nan 8.370 nan 0.000 0.515 788 T N 0.228 114.760 114.554 -0.037 0.000 3.516 788 T HA 0.365 4.709 4.350 -0.009 0.000 0.245 788 T C -0.104 174.581 174.700 -0.026 0.000 1.077 788 T CA -0.724 61.360 62.100 -0.025 0.000 1.222 788 T CB -0.241 68.615 68.868 -0.022 0.000 1.045 788 T HN 0.085 nan 8.240 nan 0.000 0.585 789 S N 2.265 117.948 115.700 -0.027 0.000 2.545 789 S HA 0.427 4.891 4.470 -0.009 0.000 0.275 789 S C 0.210 174.797 174.600 -0.022 0.000 1.299 789 S CA -0.812 57.372 58.200 -0.027 0.000 1.048 789 S CB 0.708 63.889 63.200 -0.031 0.000 0.938 789 S HN 0.646 nan 8.310 nan 0.000 0.496 790 L N 5.667 126.881 121.223 -0.016 0.000 2.638 790 L HA 0.134 4.469 4.340 -0.009 0.000 0.273 790 L C 0.224 177.084 176.870 -0.017 0.000 1.147 790 L CA 0.845 55.682 54.840 -0.005 0.000 0.941 790 L CB -0.394 41.669 42.059 0.005 0.000 1.251 790 L HN 0.509 nan 8.230 nan 0.000 0.479 791 R N 3.601 124.092 120.500 -0.015 0.000 2.856 791 R HA 0.605 4.940 4.340 -0.009 0.000 0.258 791 R C -0.884 175.404 176.300 -0.020 0.000 1.066 791 R CA -1.049 55.029 56.100 -0.037 0.000 1.045 791 R CB 0.885 31.161 30.300 -0.039 0.000 1.178 791 R HN 0.381 nan 8.270 nan 0.000 0.499 792 V N 2.740 122.614 119.914 -0.066 0.000 2.649 792 V HA 0.196 4.310 4.120 -0.009 0.000 0.292 792 V C -1.901 174.203 176.094 0.016 0.000 1.055 792 V CA -1.422 60.858 62.300 -0.032 0.000 1.023 792 V CB 0.886 32.624 31.823 -0.142 0.000 0.992 792 V HN 0.594 nan 8.190 nan 0.000 0.480 793 P HA 0.325 nan 4.420 nan 0.000 0.276 793 P C -2.726 174.531 177.300 -0.071 0.000 1.244 793 P CA -1.733 61.330 63.100 -0.061 0.000 0.801 793 P CB -0.140 31.511 31.700 -0.082 0.000 1.006 794 P HA 0.222 nan 4.420 nan 0.000 0.267 794 P C 0.681 178.055 177.300 0.124 0.000 1.205 794 P CA 0.985 64.069 63.100 -0.026 0.000 0.765 794 P CB 0.235 31.919 31.700 -0.027 0.000 0.828 795 G N 2.133 111.005 108.800 0.121 0.000 2.067 795 G HA2 -0.023 3.931 3.960 -0.009 0.000 0.080 795 G HA3 -0.023 3.931 3.960 -0.009 0.000 0.080 795 G C -0.734 174.203 174.900 0.062 0.000 2.159 795 G CA -0.289 44.880 45.100 0.115 0.000 1.192 795 G HN 0.480 nan 8.290 nan 0.000 0.351 796 E N -0.610 119.629 120.200 0.066 0.000 2.422 796 E HA 0.607 4.951 4.350 -0.009 0.000 0.280 796 E C -0.748 175.899 176.600 0.078 0.000 1.091 796 E CA 0.237 56.669 56.400 0.053 0.000 0.849 796 E CB 1.334 31.056 29.700 0.037 0.000 1.353 796 E HN 1.611 nan 8.360 nan 0.000 0.449 797 G N -0.650 108.173 108.800 0.039 0.000 2.682 797 G HA2 0.529 4.483 3.960 -0.009 0.000 0.300 797 G HA3 0.529 4.483 3.960 -0.009 0.000 0.300 797 G C -0.326 174.565 174.900 -0.015 0.000 1.396 797 G CA 0.064 45.164 45.100 -0.001 0.000 1.104 797 G HN 0.509 nan 8.290 nan 0.000 0.587 798 G N 0.910 109.711 108.800 0.000 0.000 3.271 798 G HA2 0.626 4.581 3.960 -0.009 0.000 0.174 798 G HA3 0.626 4.581 3.960 -0.009 0.000 0.174 798 G C 0.306 175.193 174.900 -0.022 0.000 1.385 798 G CA -0.293 44.807 45.100 0.001 0.000 0.979 798 G HN 1.202 nan 8.290 nan 0.000 0.610 799 I N 1.208 121.773 120.570 -0.009 0.000 2.304 799 I HA 0.471 4.635 4.170 -0.009 0.000 0.291 799 I C 0.349 176.453 176.117 -0.021 0.000 1.018 799 I CA -0.866 60.420 61.300 -0.023 0.000 1.260 799 I CB 0.421 38.407 38.000 -0.024 0.000 1.390 799 I HN 0.051 nan 8.210 nan 0.000 0.475 800 V N 6.414 126.308 119.914 -0.034 0.000 3.230 800 V HA -0.049 4.066 4.120 -0.009 0.000 0.302 800 V C 1.557 177.642 176.094 -0.016 0.000 1.158 800 V CA 0.930 63.218 62.300 -0.020 0.000 1.279 800 V CB 1.057 32.861 31.823 -0.031 0.000 0.983 800 V HN 0.854 nan 8.190 nan 0.000 0.506 801 V N -0.219 119.700 119.914 0.008 0.000 3.221 801 V HA 0.506 4.620 4.120 -0.009 0.000 0.254 801 V C 0.312 176.381 176.094 -0.042 0.000 1.586 801 V CA 0.335 62.614 62.300 -0.036 0.000 1.074 801 V CB 0.195 31.992 31.823 -0.044 0.000 0.912 801 V HN 0.860 nan 8.190 nan 0.000 0.426 802 R N 1.046 121.566 120.500 0.033 0.000 2.579 802 R HA 0.573 4.908 4.340 -0.009 0.000 0.260 802 R C -1.596 174.804 176.300 0.167 0.000 1.103 802 R CA 0.547 56.661 56.100 0.022 0.000 0.942 802 R CB 2.020 32.239 30.300 -0.136 0.000 1.251 802 R HN 0.507 nan 8.270 nan 0.000 0.450 803 T N 0.387 115.004 114.554 0.105 0.000 2.841 803 T HA 0.590 4.934 4.350 -0.009 0.000 0.285 803 T C -0.342 174.421 174.700 0.104 0.000 0.991 803 T CA -0.676 61.500 62.100 0.125 0.000 0.966 803 T CB 1.617 70.519 68.868 0.057 0.000 0.962 803 T HN 0.206 nan 8.240 nan 0.000 0.438 804 V N 2.522 122.519 119.914 0.139 0.000 2.850 804 V HA 0.804 4.918 4.120 -0.009 0.000 0.315 804 V C 0.224 176.355 176.094 0.061 0.000 1.064 804 V CA -1.181 61.179 62.300 0.101 0.000 0.979 804 V CB 1.677 33.586 31.823 0.143 0.000 1.039 804 V HN 1.068 nan 8.190 nan 0.000 0.452 805 R N 1.609 122.135 120.500 0.043 0.000 2.604 805 R HA 0.611 4.945 4.340 -0.009 0.000 0.270 805 R C -1.541 174.774 176.300 0.026 0.000 1.052 805 R CA -0.668 55.449 56.100 0.030 0.000 0.902 805 R CB 1.797 32.111 30.300 0.023 0.000 1.233 805 R HN 0.756 nan 8.270 nan 0.000 0.455 806 L N 5.042 126.278 121.223 0.021 0.000 3.083 806 L HA 0.345 4.680 4.340 -0.009 0.000 0.286 806 L C 0.521 177.402 176.870 0.018 0.000 1.307 806 L CA -0.693 54.158 54.840 0.019 0.000 0.897 806 L CB 0.328 42.397 42.059 0.016 0.000 1.306 806 L HN 0.573 nan 8.230 nan 0.000 0.569 807 R N -0.121 120.390 120.500 0.018 0.000 3.255 807 R HA 0.191 4.526 4.340 -0.009 0.000 0.268 807 R C 0.204 176.516 176.300 0.019 0.000 1.121 807 R CA -0.469 55.641 56.100 0.017 0.000 1.133 807 R CB 0.137 30.447 30.300 0.016 0.000 1.038 807 R HN 0.120 nan 8.270 nan 0.000 0.523 808 R N -0.317 120.195 120.500 0.019 0.000 2.623 808 R HA 0.181 4.516 4.340 -0.009 0.000 0.271 808 R C 0.407 176.720 176.300 0.022 0.000 1.043 808 R CA 1.145 57.257 56.100 0.021 0.000 1.083 808 R CB 0.322 30.634 30.300 0.020 0.000 0.974 808 R HN 0.959 nan 8.270 nan 0.000 0.436 809 G N 2.255 111.069 108.800 0.024 0.000 2.215 809 G HA2 -0.179 3.775 3.960 -0.009 0.000 0.198 809 G HA3 -0.179 3.775 3.960 -0.009 0.000 0.198 809 G C -0.546 174.373 174.900 0.031 0.000 1.047 809 G CA -0.550 44.566 45.100 0.027 0.000 0.747 809 G HN 0.672 nan 8.290 nan 0.000 0.495 810 D N 0.689 121.107 120.400 0.031 0.000 2.479 810 D HA 0.177 4.811 4.640 -0.009 0.000 0.257 810 D C -0.146 176.181 176.300 0.045 0.000 1.230 810 D CA -0.141 53.878 54.000 0.033 0.000 0.912 810 D CB 1.078 41.895 40.800 0.029 0.000 1.130 810 D HN 0.216 nan 8.370 nan 0.000 0.515 811 P HA -0.051 nan 4.420 nan 0.000 0.205 811 P C 0.875 178.241 177.300 0.111 0.000 1.181 811 P CA 0.980 64.124 63.100 0.073 0.000 0.933 811 P CB 0.338 32.079 31.700 0.068 0.000 0.775 812 G N -1.418 107.442 108.800 0.100 0.000 5.077 812 G HA2 0.438 4.393 3.960 -0.009 0.000 0.230 812 G HA3 0.438 4.393 3.960 -0.009 0.000 0.230 812 G C -0.265 174.598 174.900 -0.061 0.000 0.924 812 G CA -0.154 45.029 45.100 0.140 0.000 0.770 812 G HN 0.332 nan 8.290 nan 0.000 0.512 813 V N -2.231 117.666 119.914 -0.029 0.000 3.406 813 V HA 0.903 5.017 4.120 -0.009 0.000 0.305 813 V C 0.046 176.124 176.094 -0.028 0.000 1.136 813 V CA -0.952 61.313 62.300 -0.059 0.000 1.011 813 V CB 1.790 33.595 31.823 -0.030 0.000 1.221 813 V HN 0.391 nan 8.190 nan 0.000 0.454 814 E N 0.171 120.355 120.200 -0.027 0.000 4.230 814 E HA 0.411 4.755 4.350 -0.009 0.000 0.216 814 E C -0.907 175.693 176.600 0.000 0.000 1.132 814 E CA -0.725 55.671 56.400 -0.007 0.000 1.404 814 E CB 0.530 30.222 29.700 -0.013 0.000 1.183 814 E HN 0.457 nan 8.360 nan 0.000 0.431 815 L N 1.377 122.603 121.223 0.005 0.000 2.453 815 L HA 0.071 4.405 4.340 -0.009 0.000 0.274 815 L C 0.620 177.498 176.870 0.013 0.000 1.270 815 L CA 0.875 55.721 54.840 0.009 0.000 0.822 815 L CB 0.092 42.159 42.059 0.012 0.000 1.091 815 L HN 0.240 nan 8.230 nan 0.000 0.546 816 K N 0.783 121.192 120.400 0.014 0.000 2.123 816 K HA 0.458 4.773 4.320 -0.009 0.000 0.248 816 K C -2.380 174.231 176.600 0.018 0.000 0.969 816 K CA -1.663 54.634 56.287 0.017 0.000 0.882 816 K CB 0.682 33.192 32.500 0.017 0.000 1.080 816 K HN 0.284 nan 8.250 nan 0.000 0.441 817 P HA 0.055 nan 4.420 nan 0.000 0.271 817 P C 0.329 177.641 177.300 0.019 0.000 1.220 817 P CA 0.584 63.696 63.100 0.019 0.000 0.768 817 P CB 0.770 32.481 31.700 0.019 0.000 0.848 818 G N 1.484 110.296 108.800 0.020 0.000 2.218 818 G HA2 -0.169 3.786 3.960 -0.009 0.000 0.216 818 G HA3 -0.169 3.786 3.960 -0.009 0.000 0.216 818 G C -0.184 174.730 174.900 0.023 0.000 0.994 818 G CA -0.261 44.852 45.100 0.022 0.000 0.637 818 G HN 0.495 nan 8.290 nan 0.000 0.505 819 V N 1.449 121.376 119.914 0.021 0.000 2.347 819 V HA 0.551 4.666 4.120 -0.009 0.000 0.280 819 V C 1.342 177.449 176.094 0.021 0.000 1.021 819 V CA 0.129 62.441 62.300 0.020 0.000 0.847 819 V CB 1.332 33.166 31.823 0.017 0.000 0.990 819 V HN 0.373 nan 8.190 nan 0.000 0.444 820 R N 3.239 123.752 120.500 0.022 0.000 2.100 820 R HA 0.103 4.437 4.340 -0.009 0.000 0.220 820 R C 0.366 176.678 176.300 0.020 0.000 1.091 820 R CA 1.139 57.252 56.100 0.023 0.000 0.986 820 R CB 0.494 30.810 30.300 0.026 0.000 0.888 820 R HN 0.918 nan 8.270 nan 0.000 0.444 821 E N -0.789 119.421 120.200 0.018 0.000 2.431 821 E HA 0.173 4.518 4.350 -0.009 0.000 0.287 821 E C -1.410 175.198 176.600 0.013 0.000 1.032 821 E CA -0.951 55.458 56.400 0.016 0.000 0.839 821 E CB 1.423 31.132 29.700 0.015 0.000 1.218 821 E HN -0.019 nan 8.360 nan 0.000 0.424 822 V N -0.229 119.693 119.914 0.013 0.000 2.357 822 V HA 0.625 4.739 4.120 -0.009 0.000 0.284 822 V C -0.213 175.889 176.094 0.012 0.000 1.018 822 V CA -0.802 61.504 62.300 0.010 0.000 0.841 822 V CB 1.098 32.926 31.823 0.009 0.000 0.991 822 V HN 0.512 nan 8.190 nan 0.000 0.437 823 V N 5.904 125.823 119.914 0.008 0.000 2.394 823 V HA 0.564 4.679 4.120 -0.009 0.000 0.282 823 V C 0.362 176.457 176.094 0.002 0.000 1.031 823 V CA -0.487 61.819 62.300 0.010 0.000 0.881 823 V CB 1.326 33.152 31.823 0.006 0.000 0.982 823 V HN 0.944 nan 8.190 nan 0.000 0.451 824 R N 3.146 123.653 120.500 0.012 0.000 2.589 824 R HA 0.822 5.157 4.340 -0.009 0.000 0.293 824 R C -1.465 174.826 176.300 -0.015 0.000 0.963 824 R CA -0.692 55.386 56.100 -0.036 0.000 0.905 824 R CB 2.312 32.606 30.300 -0.010 0.000 1.144 824 R HN 0.524 nan 8.270 nan 0.000 0.459 825 V N 3.107 122.962 119.914 -0.097 0.000 2.588 825 V HA 0.364 4.478 4.120 -0.009 0.000 0.304 825 V C -1.279 174.764 176.094 -0.085 0.000 1.042 825 V CA -0.968 61.324 62.300 -0.012 0.000 0.877 825 V CB 1.536 33.347 31.823 -0.020 0.000 0.996 825 V HN 0.616 nan 8.190 nan 0.000 0.425 826 Y N 2.828 123.158 120.300 0.050 0.000 2.328 826 Y HA 0.664 5.208 4.550 -0.009 0.000 0.337 826 Y C 0.051 175.987 175.900 0.059 0.000 0.966 826 Y CA -0.747 57.397 58.100 0.074 0.000 1.136 826 Y CB 2.030 40.501 38.460 0.018 0.000 1.170 826 Y HN 0.402 nan 8.280 nan 0.000 0.470 827 V N 3.353 123.409 119.914 0.238 0.000 2.513 827 V HA 0.893 5.008 4.120 -0.009 0.000 0.299 827 V C -0.192 176.013 176.094 0.185 0.000 1.035 827 V CA -0.784 61.606 62.300 0.150 0.000 0.889 827 V CB 1.455 33.316 31.823 0.064 0.000 0.988 827 V HN 0.853 nan 8.190 nan 0.000 0.440 828 A N 4.471 127.366 122.820 0.125 0.000 2.454 828 A HA 0.955 5.269 4.320 -0.009 0.000 0.302 828 A C -0.921 176.730 177.584 0.111 0.000 1.079 828 A CA -0.687 51.431 52.037 0.135 0.000 0.731 828 A CB 2.058 21.126 19.000 0.114 0.000 1.299 828 A HN 0.917 nan 8.150 nan 0.000 0.413 829 Q N 0.423 120.302 119.800 0.132 0.000 2.418 829 Q HA 0.564 4.899 4.340 -0.009 0.000 0.282 829 Q C -1.441 174.620 176.000 0.103 0.000 1.044 829 Q CA -0.965 54.897 55.803 0.098 0.000 0.813 829 Q CB 1.850 30.640 28.738 0.087 0.000 1.428 829 Q HN 0.486 nan 8.270 nan 0.000 0.402 830 K N 1.672 122.117 120.400 0.076 0.000 2.263 830 K HA 0.295 4.610 4.320 -0.009 0.000 0.282 830 K C -0.700 175.933 176.600 0.055 0.000 1.089 830 K CA -0.452 55.879 56.287 0.074 0.000 0.907 830 K CB 0.749 33.287 32.500 0.063 0.000 1.148 830 K HN 0.422 nan 8.250 nan 0.000 0.470 831 R N 3.835 124.367 120.500 0.053 0.000 2.408 831 R HA 0.121 4.455 4.340 -0.009 0.000 0.308 831 R C 0.270 176.583 176.300 0.021 0.000 1.210 831 R CA -0.272 55.837 56.100 0.015 0.000 1.115 831 R CB 0.655 30.939 30.300 -0.026 0.000 1.127 831 R HN 0.425 nan 8.270 nan 0.000 0.523 832 K N 0.969 121.383 120.400 0.024 0.000 2.244 832 K HA 0.023 4.338 4.320 -0.009 0.000 0.242 832 K C 0.196 176.806 176.600 0.017 0.000 1.082 832 K CA -0.206 56.105 56.287 0.039 0.000 0.841 832 K CB 0.304 32.823 32.500 0.033 0.000 1.129 832 K HN 0.178 nan 8.250 nan 0.000 0.516 833 L N 2.516 123.749 121.223 0.016 0.000 2.315 833 L HA 0.129 4.464 4.340 -0.009 0.000 0.278 833 L C -0.648 176.185 176.870 -0.062 0.000 1.088 833 L CA 0.302 55.117 54.840 -0.041 0.000 0.899 833 L CB 0.068 42.070 42.059 -0.094 0.000 1.277 833 L HN 0.385 nan 8.230 nan 0.000 0.431 834 Q N 2.763 122.526 119.800 -0.060 0.000 2.240 834 Q HA 0.481 4.816 4.340 -0.009 0.000 0.260 834 Q C -0.233 175.732 176.000 -0.059 0.000 1.018 834 Q CA -1.131 54.638 55.803 -0.056 0.000 0.898 834 Q CB 1.925 30.636 28.738 -0.044 0.000 1.301 834 Q HN 0.333 nan 8.270 nan 0.000 0.469 835 V N 0.470 120.349 119.914 -0.058 0.000 2.928 835 V HA 0.236 4.351 4.120 -0.009 0.000 0.307 835 V C 1.069 177.147 176.094 -0.026 0.000 1.105 835 V CA 2.332 64.598 62.300 -0.056 0.000 1.223 835 V CB 0.107 31.891 31.823 -0.065 0.000 0.930 835 V HN 1.138 nan 8.190 nan 0.000 0.499 836 G N 4.118 112.910 108.800 -0.014 0.000 2.349 836 G HA2 -0.223 3.731 3.960 -0.009 0.000 0.213 836 G HA3 -0.223 3.731 3.960 -0.009 0.000 0.213 836 G C 0.170 175.111 174.900 0.068 0.000 1.044 836 G CA 0.353 45.466 45.100 0.021 0.000 0.633 836 G HN 1.073 nan 8.290 nan 0.000 0.506 837 D N 1.951 122.395 120.400 0.074 0.000 2.400 837 D HA 0.450 5.084 4.640 -0.009 0.000 0.238 837 D C 0.644 176.981 176.300 0.063 0.000 1.157 837 D CA 0.425 54.502 54.000 0.128 0.000 0.889 837 D CB 0.435 41.247 40.800 0.019 0.000 1.199 837 D HN 0.647 nan 8.370 nan 0.000 0.436 838 K N 3.086 123.539 120.400 0.087 0.000 2.425 838 K HA 0.414 4.728 4.320 -0.009 0.000 0.259 838 K C -0.830 175.791 176.600 0.035 0.000 0.978 838 K CA -0.793 55.515 56.287 0.035 0.000 0.883 838 K CB 0.650 33.163 32.500 0.021 0.000 1.110 838 K HN 0.341 nan 8.250 nan 0.000 0.436 839 L N 1.333 122.557 121.223 0.001 0.000 2.322 839 L HA 0.898 5.232 4.340 -0.009 0.000 0.279 839 L C -0.314 176.553 176.870 -0.005 0.000 1.036 839 L CA -1.010 53.836 54.840 0.009 0.000 0.807 839 L CB 1.667 43.706 42.059 -0.033 0.000 1.226 839 L HN 0.827 nan 8.230 nan 0.000 0.433 840 A N 2.181 124.991 122.820 -0.018 0.000 2.572 840 A HA 0.559 4.873 4.320 -0.009 0.000 0.295 840 A C -1.228 176.299 177.584 -0.095 0.000 1.072 840 A CA -0.857 51.158 52.037 -0.037 0.000 0.691 840 A CB 1.654 20.641 19.000 -0.021 0.000 1.291 840 A HN 0.919 nan 8.150 nan 0.000 0.404 841 N N -0.115 118.542 118.700 -0.071 0.000 2.487 841 N HA 0.332 5.066 4.740 -0.009 0.000 0.292 841 N C -0.121 175.318 175.510 -0.117 0.000 1.108 841 N CA -0.831 52.155 53.050 -0.106 0.000 0.956 841 N CB 1.252 39.741 38.487 0.003 0.000 1.176 841 N HN 0.610 nan 8.380 nan 0.000 0.484 842 R N 0.306 120.683 120.500 -0.205 0.000 2.416 842 R HA -0.063 4.272 4.340 -0.009 0.000 0.205 842 R C 0.300 176.399 176.300 -0.334 0.000 1.150 842 R CA 0.648 56.600 56.100 -0.246 0.000 1.139 842 R CB -0.530 29.616 30.300 -0.257 0.000 0.861 842 R HN 0.634 nan 8.270 nan 0.000 0.480 843 H N -1.881 117.190 119.070 0.001 0.000 3.058 843 H HA 0.239 4.789 4.556 -0.009 0.000 0.258 843 H C 1.500 176.830 175.328 0.003 0.000 1.015 843 H CA 0.860 56.913 56.048 0.009 0.000 1.210 843 H CB 1.682 31.461 29.762 0.028 0.000 1.481 843 H HN 0.444 nan 8.280 nan 0.000 0.492 844 G N 1.078 109.934 108.800 0.093 0.000 2.421 844 G HA2 -0.254 3.700 3.960 -0.009 0.000 0.188 844 G HA3 -0.254 3.700 3.960 -0.009 0.000 0.188 844 G C 0.484 175.410 174.900 0.043 0.000 1.001 844 G CA -0.144 44.989 45.100 0.055 0.000 0.693 844 G HN 0.249 nan 8.290 nan 0.000 0.479 845 N N 1.664 120.398 118.700 0.056 0.000 2.991 845 N HA -0.004 4.731 4.740 -0.009 0.000 0.324 845 N C 0.520 176.040 175.510 0.018 0.000 1.208 845 N CA 0.443 53.514 53.050 0.036 0.000 1.190 845 N CB -0.224 38.288 38.487 0.042 0.000 1.443 845 N HN 0.559 nan 8.380 nan 0.000 0.542 846 K N 1.135 121.544 120.400 0.014 0.000 2.079 846 K HA 0.109 4.423 4.320 -0.009 0.000 0.255 846 K C 0.029 176.633 176.600 0.007 0.000 1.114 846 K CA -0.204 56.088 56.287 0.008 0.000 1.056 846 K CB -0.388 32.117 32.500 0.008 0.000 1.176 846 K HN 0.373 nan 8.250 nan 0.000 0.353 847 G N 1.430 110.233 108.800 0.005 0.000 2.788 847 G HA2 0.565 4.519 3.960 -0.009 0.000 0.293 847 G HA3 0.565 4.519 3.960 -0.009 0.000 0.293 847 G C -1.379 173.521 174.900 0.001 0.000 1.305 847 G CA -0.597 44.506 45.100 0.006 0.000 1.005 847 G HN 0.317 nan 8.290 nan 0.000 0.496 848 V N -0.115 119.801 119.914 0.002 0.000 2.656 848 V HA 0.360 4.474 4.120 -0.009 0.000 0.307 848 V C 0.006 176.092 176.094 -0.013 0.000 1.051 848 V CA -0.681 61.616 62.300 -0.005 0.000 0.893 848 V CB 1.991 33.812 31.823 -0.003 0.000 0.999 848 V HN 0.567 nan 8.190 nan 0.000 0.426 849 V N 4.282 124.176 119.914 -0.033 0.000 2.529 849 V HA 0.281 4.396 4.120 -0.009 0.000 0.292 849 V C 1.059 177.121 176.094 -0.053 0.000 1.028 849 V CA 1.059 63.326 62.300 -0.056 0.000 1.074 849 V CB 1.023 32.792 31.823 -0.089 0.000 0.958 849 V HN 1.095 nan 8.190 nan 0.000 0.481 850 A N 4.745 127.529 122.820 -0.060 0.000 2.358 850 A HA 0.497 4.811 4.320 -0.009 0.000 0.223 850 A C 0.642 178.106 177.584 -0.200 0.000 1.218 850 A CA 0.061 52.049 52.037 -0.081 0.000 0.942 850 A CB 0.318 19.314 19.000 -0.008 0.000 1.005 850 A HN 0.619 nan 8.150 nan 0.000 0.514 851 K N 0.379 120.646 120.400 -0.223 0.000 2.579 851 K HA 0.420 4.734 4.320 -0.009 0.000 0.257 851 K C -1.852 174.619 176.600 -0.214 0.000 0.950 851 K CA -0.264 55.815 56.287 -0.347 0.000 0.862 851 K CB 0.851 32.862 32.500 -0.815 0.000 1.317 851 K HN 0.003 nan 8.250 nan 0.000 0.436 852 I N 5.036 125.504 120.570 -0.169 0.000 2.325 852 I HA 0.275 4.440 4.170 -0.009 0.000 0.291 852 I C -0.570 175.498 176.117 -0.083 0.000 1.019 852 I CA -0.820 60.412 61.300 -0.114 0.000 1.302 852 I CB 0.938 38.885 38.000 -0.089 0.000 1.401 852 I HN 0.529 nan 8.210 nan 0.000 0.485 853 L N 10.013 131.201 121.223 -0.059 0.000 2.295 853 L HA 0.508 4.843 4.340 -0.009 0.000 0.285 853 L C -2.202 174.667 176.870 -0.001 0.000 1.035 853 L CA -2.123 52.716 54.840 -0.002 0.000 0.806 853 L CB 1.248 43.313 42.059 0.009 0.000 1.214 853 L HN 0.289 nan 8.230 nan 0.000 0.426 854 P HA 0.038 nan 4.420 nan 0.000 0.271 854 P C 1.086 178.402 177.300 0.027 0.000 1.226 854 P CA -0.091 63.022 63.100 0.021 0.000 0.765 854 P CB 0.904 32.623 31.700 0.033 0.000 0.835 855 V N 4.428 124.351 119.914 0.015 0.000 2.313 855 V HA -0.363 3.751 4.120 -0.009 0.000 0.253 855 V C 2.139 178.261 176.094 0.047 0.000 1.070 855 V CA 2.719 65.031 62.300 0.020 0.000 1.057 855 V CB -1.136 30.695 31.823 0.014 0.000 0.653 855 V HN 0.791 nan 8.190 nan 0.000 0.450 856 E N 1.416 121.644 120.200 0.047 0.000 2.257 856 E HA -0.323 4.022 4.350 -0.009 0.000 0.229 856 E C 0.981 177.629 176.600 0.080 0.000 1.089 856 E CA 2.084 58.520 56.400 0.059 0.000 0.947 856 E CB -0.757 28.974 29.700 0.051 0.000 0.808 856 E HN 0.851 nan 8.360 nan 0.000 0.471 857 D N 0.608 121.059 120.400 0.084 0.000 2.891 857 D HA 0.196 4.831 4.640 -0.009 0.000 0.312 857 D C 0.089 176.466 176.300 0.128 0.000 1.354 857 D CA -0.462 53.599 54.000 0.102 0.000 0.838 857 D CB -0.281 40.580 40.800 0.100 0.000 1.117 857 D HN 0.433 nan 8.370 nan 0.000 0.473 858 M N -1.815 117.839 119.600 0.091 0.000 2.508 858 M HA 0.705 5.180 4.480 -0.009 0.000 0.327 858 M C -2.746 173.577 176.300 0.038 0.000 1.160 858 M CA -1.858 53.483 55.300 0.068 0.000 0.980 858 M CB 2.038 34.609 32.600 -0.049 0.000 1.693 858 M HN -0.400 nan 8.290 nan 0.000 0.452 859 P HA -0.144 nan 4.420 nan 0.000 0.261 859 P C -1.476 175.853 177.300 0.048 0.000 1.140 859 P CA 1.089 64.198 63.100 0.014 0.000 0.757 859 P CB -0.252 31.476 31.700 0.047 0.000 0.735 860 H N 1.630 120.756 119.070 0.093 0.000 2.679 860 H HA 0.574 5.125 4.556 -0.008 0.000 0.367 860 H C -0.726 174.656 175.328 0.090 0.000 1.162 860 H CA -1.530 54.551 56.048 0.055 0.000 1.181 860 H CB 1.137 30.911 29.762 0.021 0.000 1.693 860 H HN 0.223 nan 8.280 nan 0.000 0.538 861 L N 2.939 124.310 121.223 0.247 0.000 2.371 861 L HA 0.156 4.490 4.340 -0.009 0.000 0.272 861 L C -1.501 175.454 176.870 0.143 0.000 1.124 861 L CA -1.824 53.145 54.840 0.217 0.000 0.816 861 L CB 1.037 43.172 42.059 0.128 0.000 1.129 861 L HN 0.530 nan 8.230 nan 0.000 0.448 862 P HA -0.265 nan 4.420 nan 0.000 0.229 862 P C -0.498 176.711 177.300 -0.150 0.000 1.152 862 P CA 1.938 65.035 63.100 -0.006 0.000 0.915 862 P CB -0.080 31.838 31.700 0.363 0.000 0.784 863 D N -3.205 117.206 120.400 0.017 0.000 2.446 863 D HA 0.222 4.857 4.640 -0.009 0.000 0.288 863 D C 1.958 178.181 176.300 -0.130 0.000 1.195 863 D CA -0.064 53.902 54.000 -0.056 0.000 1.095 863 D CB -0.735 40.112 40.800 0.079 0.000 1.153 863 D HN -0.088 nan 8.370 nan 0.000 0.568 864 G N -1.309 107.444 108.800 -0.077 0.000 2.443 864 G HA2 -0.086 3.868 3.960 -0.009 0.000 0.219 864 G HA3 -0.086 3.868 3.960 -0.009 0.000 0.219 864 G C 0.906 175.778 174.900 -0.046 0.000 1.131 864 G CA 1.145 46.194 45.100 -0.086 0.000 0.775 864 G HN 0.685 nan 8.290 nan 0.000 0.547 865 T N 1.398 115.956 114.554 0.007 0.000 2.834 865 T HA 0.480 4.825 4.350 -0.009 0.000 0.298 865 T C -2.403 172.311 174.700 0.023 0.000 0.966 865 T CA -1.338 60.775 62.100 0.021 0.000 1.141 865 T CB 1.987 70.886 68.868 0.051 0.000 0.905 865 T HN -0.023 nan 8.240 nan 0.000 0.535 866 P HA 0.537 nan 4.420 nan 0.000 0.314 866 P C -0.663 176.611 177.300 -0.043 0.000 1.306 866 P CA -0.851 62.269 63.100 0.033 0.000 0.782 866 P CB 0.746 32.464 31.700 0.031 0.000 1.337 867 V N -2.649 117.233 119.914 -0.054 0.000 2.732 867 V HA 0.500 4.615 4.120 -0.009 0.000 0.310 867 V C 0.014 176.037 176.094 -0.117 0.000 1.053 867 V CA -0.323 61.915 62.300 -0.104 0.000 0.957 867 V CB 1.567 33.335 31.823 -0.091 0.000 1.018 867 V HN 0.344 nan 8.190 nan 0.000 0.452 868 D N 0.966 121.285 120.400 -0.135 0.000 2.394 868 D HA 0.179 4.813 4.640 -0.009 0.000 0.226 868 D C 0.634 176.854 176.300 -0.134 0.000 0.990 868 D CA 0.846 54.765 54.000 -0.135 0.000 0.902 868 D CB 1.275 41.983 40.800 -0.152 0.000 1.038 868 D HN 0.426 nan 8.370 nan 0.000 0.499 869 V N 0.180 120.022 119.914 -0.120 0.000 3.284 869 V HA 0.586 4.701 4.120 -0.009 0.000 0.309 869 V C -1.182 174.835 176.094 -0.127 0.000 1.190 869 V CA -0.619 61.611 62.300 -0.115 0.000 1.038 869 V CB 2.392 34.171 31.823 -0.074 0.000 1.198 869 V HN -0.067 nan 8.190 nan 0.000 0.465 870 I N 1.867 122.369 120.570 -0.113 0.000 2.787 870 I HA 0.401 4.566 4.170 -0.009 0.000 0.294 870 I C -1.922 174.170 176.117 -0.042 0.000 1.365 870 I CA -0.414 60.824 61.300 -0.104 0.000 1.029 870 I CB 2.136 40.006 38.000 -0.217 0.000 1.313 870 I HN 0.365 nan 8.210 nan 0.000 0.431 871 L N 4.975 126.193 121.223 -0.008 0.000 2.431 871 L HA 0.487 4.821 4.340 -0.009 0.000 0.266 871 L C -0.193 176.692 176.870 0.024 0.000 0.978 871 L CA -0.441 54.406 54.840 0.011 0.000 0.822 871 L CB 1.803 43.868 42.059 0.010 0.000 1.310 871 L HN 0.448 nan 8.230 nan 0.000 0.409 872 N N 2.978 121.692 118.700 0.023 0.000 2.513 872 N HA 0.262 4.996 4.740 -0.009 0.000 0.268 872 N C -1.989 173.520 175.510 -0.002 0.000 1.180 872 N CA -1.313 51.744 53.050 0.012 0.000 0.948 872 N CB 1.714 40.195 38.487 -0.010 0.000 1.083 872 N HN 0.336 nan 8.380 nan 0.000 0.455 873 P HA 0.121 nan 4.420 nan 0.000 0.222 873 P C 1.264 178.550 177.300 -0.023 0.000 1.157 873 P CA 0.561 63.655 63.100 -0.009 0.000 0.816 873 P CB 0.328 32.026 31.700 -0.005 0.000 0.813 874 L N -1.172 120.028 121.223 -0.039 0.000 2.450 874 L HA -0.124 4.210 4.340 -0.009 0.000 0.225 874 L C 2.162 179.001 176.870 -0.050 0.000 1.145 874 L CA 1.472 56.279 54.840 -0.056 0.000 0.801 874 L CB -1.066 40.936 42.059 -0.095 0.000 0.924 874 L HN 0.125 nan 8.230 nan 0.000 0.447 875 G N -1.326 107.451 108.800 -0.037 0.000 2.656 875 G HA2 -0.006 3.948 3.960 -0.009 0.000 0.211 875 G HA3 -0.006 3.948 3.960 -0.009 0.000 0.211 875 G C 1.511 176.400 174.900 -0.017 0.000 1.137 875 G CA 0.198 45.281 45.100 -0.028 0.000 0.802 875 G HN 0.125 nan 8.290 nan 0.000 0.527 876 V N 2.453 122.357 119.914 -0.016 0.000 2.295 876 V HA -0.095 4.019 4.120 -0.009 0.000 0.246 876 V C 0.560 176.645 176.094 -0.015 0.000 1.049 876 V CA 2.297 64.589 62.300 -0.014 0.000 1.024 876 V CB -0.898 30.916 31.823 -0.015 0.000 0.648 876 V HN 0.309 nan 8.190 nan 0.000 0.447 877 P HA -0.106 nan 4.420 nan 0.000 0.217 877 P C 1.937 179.228 177.300 -0.015 0.000 1.151 877 P CA 1.675 64.765 63.100 -0.017 0.000 0.828 877 P CB 0.094 31.783 31.700 -0.019 0.000 0.788 878 S N -0.090 115.601 115.700 -0.016 0.000 2.436 878 S HA -0.062 4.402 4.470 -0.009 0.000 0.208 878 S C 0.797 175.393 174.600 -0.007 0.000 1.063 878 S CA 0.592 58.785 58.200 -0.012 0.000 1.120 878 S CB -0.706 62.485 63.200 -0.016 0.000 1.053 878 S HN 0.041 nan 8.310 nan 0.000 0.407 879 R N 1.287 121.784 120.500 -0.004 0.000 2.522 879 R HA 0.205 4.540 4.340 -0.009 0.000 0.284 879 R C -0.348 175.952 176.300 0.001 0.000 1.032 879 R CA 0.626 56.727 56.100 0.002 0.000 1.049 879 R CB -0.198 30.106 30.300 0.006 0.000 0.956 879 R HN 0.430 nan 8.270 nan 0.000 0.422 880 M N 3.890 123.492 119.600 0.003 0.000 2.080 880 M HA 0.267 4.741 4.480 -0.009 0.000 0.350 880 M C -0.351 175.953 176.300 0.007 0.000 1.173 880 M CA 0.225 55.525 55.300 0.001 0.000 1.052 880 M CB 0.763 33.363 32.600 -0.001 0.000 1.577 880 M HN 0.692 nan 8.290 nan 0.000 0.455 881 N N 3.911 122.611 118.700 -0.000 0.000 3.211 881 N HA 0.130 4.865 4.740 -0.009 0.000 0.183 881 N C -0.623 174.867 175.510 -0.033 0.000 1.447 881 N CA -0.281 52.768 53.050 -0.001 0.000 0.840 881 N CB 0.102 38.592 38.487 0.006 0.000 1.611 881 N HN 0.611 nan 8.380 nan 0.000 0.610 882 L N 0.408 121.623 121.223 -0.013 0.000 2.711 882 L HA 0.126 4.461 4.340 -0.009 0.000 0.242 882 L C 2.153 178.971 176.870 -0.087 0.000 1.153 882 L CA 0.677 55.492 54.840 -0.042 0.000 0.898 882 L CB -0.292 41.762 42.059 -0.008 0.000 1.044 882 L HN 0.626 nan 8.230 nan 0.000 0.437 883 G N 0.040 108.788 108.800 -0.087 0.000 2.394 883 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.215 883 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.215 883 G C 1.449 176.162 174.900 -0.312 0.000 1.165 883 G CA 0.525 45.550 45.100 -0.126 0.000 0.784 883 G HN 0.479 nan 8.290 nan 0.000 0.535 884 Q N 0.054 119.555 119.800 -0.498 0.000 2.181 884 Q HA -0.116 4.219 4.340 -0.009 0.000 0.205 884 Q C 2.077 178.020 176.000 -0.094 0.000 0.980 884 Q CA 1.398 56.996 55.803 -0.342 0.000 0.862 884 Q CB -0.151 28.511 28.738 -0.126 0.000 0.905 884 Q HN 0.431 nan 8.270 nan 0.000 0.429 885 I N 0.297 120.791 120.570 -0.127 0.000 3.226 885 I HA -0.084 4.081 4.170 -0.009 0.000 0.277 885 I C 2.067 178.000 176.117 -0.307 0.000 1.243 885 I CA 0.411 61.616 61.300 -0.159 0.000 1.459 885 I CB -0.907 36.993 38.000 -0.167 0.000 1.093 885 I HN 0.360 nan 8.210 nan 0.000 0.453 886 L N 0.843 121.898 121.223 -0.280 0.000 2.044 886 L HA -0.149 4.186 4.340 -0.009 0.000 0.205 886 L C 2.563 179.432 176.870 -0.001 0.000 1.075 886 L CA 1.443 55.998 54.840 -0.475 0.000 0.747 886 L CB -0.109 41.272 42.059 -1.131 0.000 0.903 886 L HN 0.298 nan 8.230 nan 0.000 0.435 887 E N -0.572 119.918 120.200 0.483 0.000 2.077 887 E HA -0.226 4.119 4.350 -0.009 0.000 0.193 887 E C 1.794 178.545 176.600 0.252 0.000 0.989 887 E CA 1.920 58.614 56.400 0.490 0.000 0.800 887 E CB 0.112 30.016 29.700 0.340 0.000 0.746 887 E HN 0.425 nan 8.360 nan 0.000 0.452 888 T N 0.169 114.827 114.554 0.172 0.000 2.699 888 T HA -0.205 4.139 4.350 -0.009 0.000 0.268 888 T C 1.515 176.367 174.700 0.253 0.000 1.036 888 T CA 1.788 63.996 62.100 0.180 0.000 1.147 888 T CB -0.523 68.436 68.868 0.151 0.000 0.862 888 T HN 0.438 nan 8.240 nan 0.000 0.446 889 H N -0.013 119.079 119.070 0.036 0.000 2.284 889 H HA 0.079 4.629 4.556 -0.010 0.000 0.304 889 H C 2.316 177.674 175.328 0.051 0.000 1.069 889 H CA 0.896 56.948 56.048 0.006 0.000 1.327 889 H CB -0.303 29.433 29.762 -0.044 0.000 1.387 889 H HN 0.092 nan 8.280 nan 0.000 0.498 890 L N 1.542 122.878 121.223 0.188 0.000 2.357 890 L HA -0.128 4.207 4.340 -0.009 0.000 0.220 890 L C 2.187 179.178 176.870 0.201 0.000 1.123 890 L CA 1.679 56.557 54.840 0.063 0.000 0.782 890 L CB -0.648 41.419 42.059 0.013 0.000 0.910 890 L HN 0.284 nan 8.230 nan 0.000 0.442 891 G N -1.466 107.486 108.800 0.255 0.000 2.539 891 G HA2 -0.151 3.804 3.960 -0.009 0.000 0.215 891 G HA3 -0.151 3.804 3.960 -0.009 0.000 0.215 891 G C 1.404 176.483 174.900 0.297 0.000 1.141 891 G CA 0.463 45.741 45.100 0.296 0.000 0.806 891 G HN 0.378 nan 8.290 nan 0.000 0.533 892 L N 1.323 122.696 121.223 0.249 0.000 2.275 892 L HA 0.242 4.576 4.340 -0.009 0.000 0.215 892 L C 2.767 179.936 176.870 0.499 0.000 1.119 892 L CA 1.685 56.699 54.840 0.290 0.000 0.790 892 L CB -0.378 41.739 42.059 0.097 0.000 0.919 892 L HN 0.204 nan 8.230 nan 0.000 0.443 893 A N -0.833 122.253 122.820 0.444 0.000 1.874 893 A HA 0.109 4.423 4.320 -0.009 0.000 0.214 893 A C 2.286 180.175 177.584 0.509 0.000 1.189 893 A CA 0.926 53.267 52.037 0.507 0.000 0.615 893 A CB -1.397 17.865 19.000 0.436 0.000 0.830 893 A HN 0.432 nan 8.150 nan 0.000 0.443 894 G N -1.980 107.141 108.800 0.535 0.000 2.498 894 G HA2 -0.231 3.724 3.960 -0.009 0.000 0.219 894 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.219 894 G C 1.407 176.456 174.900 0.249 0.000 1.119 894 G CA 1.280 46.602 45.100 0.369 0.000 0.766 894 G HN 0.572 nan 8.290 nan 0.000 0.552 895 Y N -0.091 120.292 120.300 0.139 0.000 2.314 895 Y HA 0.266 4.811 4.550 -0.009 0.000 0.294 895 Y C 1.985 177.830 175.900 -0.091 0.000 1.119 895 Y CA 0.594 58.673 58.100 -0.036 0.000 1.179 895 Y CB -0.001 38.359 38.460 -0.166 0.000 1.025 895 Y HN 0.178 nan 8.280 nan 0.000 0.541 896 F N -1.727 118.217 119.950 -0.010 0.000 2.343 896 F HA 0.038 4.558 4.527 -0.010 0.000 0.286 896 F C 1.735 177.540 175.800 0.007 0.000 1.057 896 F CA 0.173 58.139 58.000 -0.055 0.000 1.365 896 F CB -0.284 38.785 39.000 0.116 0.000 1.114 896 F HN -0.114 nan 8.300 nan 0.000 0.545 897 L N 0.460 121.874 121.223 0.318 0.000 2.622 897 L HA 0.176 4.510 4.340 -0.009 0.000 0.233 897 L C 1.287 178.226 176.870 0.116 0.000 1.156 897 L CA 0.586 55.559 54.840 0.220 0.000 0.866 897 L CB -1.281 40.951 42.059 0.288 0.000 0.980 897 L HN 0.237 nan 8.230 nan 0.000 0.448 898 G N 0.759 109.598 108.800 0.065 0.000 2.369 898 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.286 898 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.286 898 G C -0.023 174.864 174.900 -0.022 0.000 0.938 898 G CA 0.855 45.956 45.100 0.002 0.000 1.271 898 G HN 0.610 nan 8.290 nan 0.000 0.488 899 Q N -1.299 118.463 119.800 -0.062 0.000 2.647 899 Q HA 0.635 4.970 4.340 -0.009 0.000 0.283 899 Q C -0.538 175.228 176.000 -0.390 0.000 0.943 899 Q CA -1.404 54.286 55.803 -0.188 0.000 0.813 899 Q CB 1.295 29.920 28.738 -0.190 0.000 1.477 899 Q HN 0.392 nan 8.270 nan 0.000 0.393 900 R N 0.705 120.969 120.500 -0.395 0.000 2.787 900 R HA 0.681 5.016 4.340 -0.009 0.000 0.271 900 R C -1.008 174.975 176.300 -0.529 0.000 0.993 900 R CA -0.734 55.137 56.100 -0.382 0.000 0.993 900 R CB 0.878 31.118 30.300 -0.099 0.000 1.155 900 R HN 0.656 nan 8.270 nan 0.000 0.486 901 Y N -0.285 120.094 120.300 0.131 0.000 2.659 901 Y HA 0.599 5.143 4.550 -0.009 0.000 0.333 901 Y C 0.281 176.257 175.900 0.126 0.000 1.064 901 Y CA -1.254 56.950 58.100 0.173 0.000 1.141 901 Y CB 1.733 40.395 38.460 0.337 0.000 1.316 901 Y HN 0.283 nan 8.280 nan 0.000 0.509 902 I N 1.339 122.116 120.570 0.345 0.000 2.476 902 I HA 0.176 4.340 4.170 -0.009 0.000 0.281 902 I C -0.699 175.574 176.117 0.260 0.000 1.040 902 I CA -0.316 61.100 61.300 0.194 0.000 1.094 902 I CB 1.673 39.727 38.000 0.089 0.000 1.219 902 I HN 0.561 nan 8.210 nan 0.000 0.450 903 S N 8.174 123.976 115.700 0.170 0.000 2.790 903 S HA 0.429 4.894 4.470 -0.009 0.000 0.202 903 S C -2.325 172.332 174.600 0.095 0.000 1.383 903 S CA -1.446 56.856 58.200 0.169 0.000 1.026 903 S CB 0.033 63.309 63.200 0.128 0.000 1.253 903 S HN 0.245 nan 8.310 nan 0.000 0.489 904 P HA -0.095 nan 4.420 nan 0.000 0.271 904 P C 1.272 178.611 177.300 0.066 0.000 1.179 904 P CA 0.299 63.442 63.100 0.072 0.000 0.766 904 P CB 0.359 32.116 31.700 0.096 0.000 0.789 905 I N 1.579 122.152 120.570 0.005 0.000 2.091 905 I HA -0.323 3.842 4.170 -0.009 0.000 0.240 905 I C 1.534 177.612 176.117 -0.065 0.000 1.046 905 I CA 1.994 63.239 61.300 -0.092 0.000 1.306 905 I CB -0.103 37.774 38.000 -0.206 0.000 1.018 905 I HN 0.357 nan 8.210 nan 0.000 0.404 906 F N -1.592 118.436 119.950 0.131 0.000 2.746 906 F HA 0.131 4.653 4.527 -0.010 0.000 0.313 906 F C 0.531 176.399 175.800 0.112 0.000 1.095 906 F CA -0.358 57.723 58.000 0.135 0.000 1.224 906 F CB 0.534 39.595 39.000 0.102 0.000 1.060 906 F HN 0.067 nan 8.300 nan 0.000 0.584 907 D N 0.731 121.295 120.400 0.273 0.000 2.863 907 D HA 0.320 4.954 4.640 -0.009 0.000 0.323 907 D C 0.220 176.628 176.300 0.181 0.000 1.286 907 D CA -0.047 54.069 54.000 0.193 0.000 0.921 907 D CB 0.039 40.927 40.800 0.146 0.000 1.024 907 D HN 0.193 nan 8.370 nan 0.000 0.505 908 G N -0.033 108.883 108.800 0.194 0.000 3.122 908 G HA2 0.642 4.596 3.960 -0.009 0.000 0.180 908 G HA3 0.642 4.596 3.960 -0.009 0.000 0.180 908 G C -0.006 174.963 174.900 0.115 0.000 1.279 908 G CA -0.299 44.920 45.100 0.199 0.000 0.987 908 G HN 0.457 nan 8.290 nan 0.000 0.589 909 A N -0.956 121.838 122.820 -0.044 0.000 2.504 909 A HA 0.520 4.835 4.320 -0.009 0.000 0.242 909 A C 0.076 177.516 177.584 -0.241 0.000 1.100 909 A CA 0.832 52.592 52.037 -0.462 0.000 0.786 909 A CB 0.085 18.556 19.000 -0.883 0.000 1.050 909 A HN 0.485 nan 8.150 nan 0.000 0.512 910 K N -0.713 119.535 120.400 -0.253 0.000 2.502 910 K HA 0.311 4.626 4.320 -0.009 0.000 0.257 910 K C 0.776 177.281 176.600 -0.159 0.000 0.938 910 K CA -0.406 55.794 56.287 -0.146 0.000 0.819 910 K CB 1.639 34.117 32.500 -0.037 0.000 1.333 910 K HN 0.778 nan 8.250 nan 0.000 0.434 911 E N 1.772 121.891 120.200 -0.135 0.000 2.196 911 E HA -0.283 4.061 4.350 -0.009 0.000 0.222 911 E C -1.145 175.417 176.600 -0.063 0.000 1.072 911 E CA 2.431 58.767 56.400 -0.107 0.000 0.902 911 E CB -0.309 29.355 29.700 -0.060 0.000 0.780 911 E HN 0.357 nan 8.360 nan 0.000 0.467 912 P HA -0.127 nan 4.420 nan 0.000 0.214 912 P C 0.701 178.016 177.300 0.024 0.000 1.162 912 P CA 1.511 64.615 63.100 0.006 0.000 0.879 912 P CB -0.030 31.682 31.700 0.020 0.000 0.786 913 E N -0.950 119.267 120.200 0.028 0.000 2.219 913 E HA -0.168 4.176 4.350 -0.009 0.000 0.198 913 E C 1.802 178.435 176.600 0.054 0.000 0.998 913 E CA 0.865 57.329 56.400 0.106 0.000 0.818 913 E CB -0.499 29.318 29.700 0.195 0.000 0.741 913 E HN 0.267 nan 8.360 nan 0.000 0.477 914 I N 0.285 120.813 120.570 -0.070 0.000 2.585 914 I HA -0.133 4.032 4.170 -0.009 0.000 0.254 914 I C 1.739 177.869 176.117 0.021 0.000 1.129 914 I CA 0.479 61.728 61.300 -0.084 0.000 1.455 914 I CB 0.050 37.949 38.000 -0.168 0.000 1.111 914 I HN -0.133 nan 8.210 nan 0.000 0.433 915 K N 1.053 121.469 120.400 0.025 0.000 2.589 915 K HA -0.089 4.225 4.320 -0.009 0.000 0.192 915 K C 1.480 178.131 176.600 0.085 0.000 1.029 915 K CA 0.630 56.951 56.287 0.057 0.000 1.031 915 K CB -0.020 32.501 32.500 0.035 0.000 0.821 915 K HN 0.423 nan 8.250 nan 0.000 0.502 916 E N 0.431 120.693 120.200 0.102 0.000 2.280 916 E HA 0.046 4.390 4.350 -0.009 0.000 0.197 916 E C 1.949 178.647 176.600 0.163 0.000 0.913 916 E CA 0.000 56.475 56.400 0.124 0.000 0.995 916 E CB -0.071 29.703 29.700 0.124 0.000 0.991 916 E HN 0.065 nan 8.360 nan 0.000 0.484 917 L N 1.240 122.572 121.223 0.183 0.000 2.010 917 L HA -0.291 4.044 4.340 -0.009 0.000 0.219 917 L C 2.780 179.808 176.870 0.263 0.000 1.077 917 L CA 1.306 56.282 54.840 0.228 0.000 0.773 917 L CB -0.569 41.624 42.059 0.223 0.000 0.892 917 L HN 0.193 nan 8.230 nan 0.000 0.436 918 L N -0.471 120.916 121.223 0.273 0.000 1.963 918 L HA -0.297 4.037 4.340 -0.009 0.000 0.220 918 L C 2.773 179.878 176.870 0.392 0.000 1.076 918 L CA 2.243 57.336 54.840 0.422 0.000 0.772 918 L CB -1.196 41.093 42.059 0.383 0.000 0.892 918 L HN 0.289 nan 8.230 nan 0.000 0.435 919 A N -1.088 121.900 122.820 0.280 0.000 1.909 919 A HA -0.429 3.885 4.320 -0.009 0.000 0.221 919 A C 2.293 179.998 177.584 0.201 0.000 1.223 919 A CA 2.641 54.804 52.037 0.210 0.000 0.658 919 A CB -0.955 18.126 19.000 0.135 0.000 0.831 919 A HN 0.572 nan 8.150 nan 0.000 0.462 920 Q N -0.778 119.132 119.800 0.182 0.000 2.045 920 Q HA -0.104 4.231 4.340 -0.009 0.000 0.206 920 Q C 1.985 178.061 176.000 0.127 0.000 0.991 920 Q CA 2.344 58.236 55.803 0.150 0.000 0.851 920 Q CB -0.459 28.377 28.738 0.163 0.000 0.911 920 Q HN 0.641 nan 8.270 nan 0.000 0.418 921 A N -0.716 122.207 122.820 0.173 0.000 2.239 921 A HA -0.049 4.266 4.320 -0.009 0.000 0.209 921 A C 1.624 179.079 177.584 -0.215 0.000 1.171 921 A CA 0.443 52.540 52.037 0.099 0.000 0.768 921 A CB -0.764 18.432 19.000 0.327 0.000 0.790 921 A HN 0.628 nan 8.150 nan 0.000 0.478 922 F N 0.701 120.470 119.950 -0.302 0.000 2.259 922 F HA -0.021 4.500 4.527 -0.010 0.000 0.298 922 F C 1.923 177.515 175.800 -0.347 0.000 1.088 922 F CA 1.823 59.460 58.000 -0.605 0.000 1.358 922 F CB 0.097 38.873 39.000 -0.373 0.000 1.040 922 F HN 0.315 nan 8.300 nan 0.000 0.505 923 E N -0.185 119.872 120.200 -0.240 0.000 2.299 923 E HA -0.029 4.315 4.350 -0.009 0.000 0.193 923 E C 1.902 178.343 176.600 -0.265 0.000 0.998 923 E CA 0.953 57.221 56.400 -0.220 0.000 0.851 923 E CB -0.238 29.449 29.700 -0.022 0.000 0.795 923 E HN 0.252 nan 8.360 nan 0.000 0.492 924 V N 0.652 120.431 119.914 -0.225 0.000 2.719 924 V HA -0.140 3.974 4.120 -0.009 0.000 0.252 924 V C 1.921 177.875 176.094 -0.233 0.000 1.065 924 V CA 1.635 63.852 62.300 -0.139 0.000 1.086 924 V CB -0.599 31.221 31.823 -0.005 0.000 0.700 924 V HN 0.382 nan 8.190 nan 0.000 0.467 925 Y N -0.707 119.140 120.300 -0.755 0.000 2.441 925 Y HA 0.128 4.672 4.550 -0.011 0.000 0.288 925 Y C 1.874 177.447 175.900 -0.545 0.000 1.118 925 Y CA 0.513 58.033 58.100 -0.967 0.000 1.215 925 Y CB -0.034 37.254 38.460 -1.953 0.000 1.118 925 Y HN 0.224 nan 8.280 nan 0.000 0.547 926 F N 0.293 119.522 119.950 -1.201 0.000 2.717 926 F HA 0.354 4.877 4.527 -0.007 0.000 0.295 926 F C 2.115 177.563 175.800 -0.588 0.000 1.117 926 F CA 0.600 57.928 58.000 -1.120 0.000 1.361 926 F CB -0.235 37.764 39.000 -1.668 0.000 1.112 926 F HN 0.036 nan 8.300 nan 0.000 0.594 927 G N 0.320 108.783 108.800 -0.563 0.000 2.421 927 G HA2 -0.324 3.631 3.960 -0.009 0.000 0.216 927 G HA3 -0.324 3.631 3.960 -0.009 0.000 0.216 927 G C 1.709 176.383 174.900 -0.377 0.000 1.171 927 G CA 0.907 45.777 45.100 -0.384 0.000 0.775 927 G HN 0.310 nan 8.290 nan 0.000 0.543 928 K N 0.118 120.330 120.400 -0.314 0.000 2.209 928 K HA -0.033 4.281 4.320 -0.009 0.000 0.204 928 K C 2.668 179.119 176.600 -0.250 0.000 1.048 928 K CA 0.551 56.711 56.287 -0.212 0.000 0.940 928 K CB -0.040 32.392 32.500 -0.112 0.000 0.729 928 K HN 0.032 nan 8.250 nan 0.000 0.451 929 R N 0.937 121.175 120.500 -0.436 0.000 2.094 929 R HA -0.152 4.183 4.340 -0.009 0.000 0.239 929 R C 1.884 177.995 176.300 -0.316 0.000 1.137 929 R CA 1.805 57.661 56.100 -0.407 0.000 0.943 929 R CB -0.401 29.361 30.300 -0.897 0.000 0.850 929 R HN 0.306 nan 8.270 nan 0.000 0.433 930 K N -0.676 119.466 120.400 -0.430 0.000 2.362 930 K HA -0.044 4.270 4.320 -0.009 0.000 0.200 930 K C 1.955 178.438 176.600 -0.194 0.000 1.046 930 K CA 1.079 57.208 56.287 -0.262 0.000 0.952 930 K CB -0.001 32.357 32.500 -0.237 0.000 0.753 930 K HN 0.302 nan 8.250 nan 0.000 0.466 931 G N 1.099 109.782 108.800 -0.195 0.000 2.662 931 G HA2 -0.123 3.832 3.960 -0.009 0.000 0.207 931 G HA3 -0.123 3.832 3.960 -0.009 0.000 0.207 931 G C 1.100 175.901 174.900 -0.166 0.000 1.154 931 G CA -0.183 44.825 45.100 -0.154 0.000 0.837 931 G HN 0.154 nan 8.290 nan 0.000 0.580 932 E N -0.059 120.056 120.200 -0.142 0.000 2.273 932 E HA 0.064 4.408 4.350 -0.009 0.000 0.198 932 E C 1.625 177.967 176.600 -0.430 0.000 1.002 932 E CA 0.630 56.950 56.400 -0.134 0.000 0.828 932 E CB -0.077 29.668 29.700 0.075 0.000 0.747 932 E HN 0.501 nan 8.360 nan 0.000 0.491 933 G N -0.638 107.838 108.800 -0.540 0.000 2.147 933 G HA2 -0.145 3.809 3.960 -0.009 0.000 0.128 933 G HA3 -0.145 3.809 3.960 -0.009 0.000 0.128 933 G C -0.285 173.995 174.900 -1.033 0.000 1.026 933 G CA -0.314 44.301 45.100 -0.808 0.000 0.693 933 G HN 0.131 nan 8.290 nan 0.000 0.499 934 F N -0.701 119.211 119.950 -0.064 0.000 2.726 934 F HA 0.892 5.414 4.527 -0.009 0.000 0.324 934 F C 0.760 176.543 175.800 -0.029 0.000 1.140 934 F CA -0.628 57.352 58.000 -0.034 0.000 0.964 934 F CB 0.743 39.732 39.000 -0.018 0.000 1.399 934 F HN 0.308 nan 8.300 nan 0.000 0.491 935 G N -0.506 108.447 108.800 0.255 0.000 2.949 935 G HA2 0.573 4.527 3.960 -0.009 0.000 0.285 935 G HA3 0.573 4.527 3.960 -0.009 0.000 0.285 935 G C -1.369 173.663 174.900 0.219 0.000 1.395 935 G CA -0.783 44.435 45.100 0.197 0.000 0.901 935 G HN 0.931 nan 8.290 nan 0.000 0.519 936 V N -0.266 119.781 119.914 0.223 0.000 2.529 936 V HA 0.274 4.389 4.120 -0.009 0.000 0.292 936 V C 0.148 176.336 176.094 0.157 0.000 1.028 936 V CA -0.757 61.661 62.300 0.197 0.000 1.074 936 V CB 0.157 32.071 31.823 0.151 0.000 0.958 936 V HN 0.536 nan 8.190 nan 0.000 0.481 937 D N 3.430 123.935 120.400 0.176 0.000 2.278 937 D HA 0.015 4.650 4.640 -0.009 0.000 0.234 937 D C 0.990 177.363 176.300 0.123 0.000 1.344 937 D CA 0.548 54.646 54.000 0.165 0.000 0.892 937 D CB 0.318 41.273 40.800 0.257 0.000 1.204 937 D HN 0.829 nan 8.370 nan 0.000 0.489 938 K N 0.072 120.537 120.400 0.109 0.000 2.417 938 K HA 0.070 4.385 4.320 -0.009 0.000 0.196 938 K C 0.873 177.511 176.600 0.064 0.000 1.023 938 K CA 0.120 56.452 56.287 0.075 0.000 1.122 938 K CB 0.304 32.845 32.500 0.068 0.000 0.850 938 K HN 0.139 nan 8.250 nan 0.000 0.521 939 R N -0.321 120.230 120.500 0.085 0.000 2.225 939 R HA 0.063 4.397 4.340 -0.009 0.000 0.194 939 R C 1.038 177.320 176.300 -0.031 0.000 0.949 939 R CA 0.396 56.508 56.100 0.019 0.000 1.088 939 R CB -0.064 30.276 30.300 0.067 0.000 1.106 939 R HN 0.167 nan 8.270 nan 0.000 0.566 940 E N 1.070 121.307 120.200 0.061 0.000 2.533 940 E HA -0.045 4.300 4.350 -0.009 0.000 0.201 940 E C 0.904 177.520 176.600 0.025 0.000 1.097 940 E CA 0.287 56.722 56.400 0.058 0.000 0.887 940 E CB 0.285 30.073 29.700 0.147 0.000 0.855 940 E HN -0.027 nan 8.360 nan 0.000 0.540 941 V N -0.856 119.066 119.914 0.013 0.000 3.250 941 V HA -0.069 4.046 4.120 -0.009 0.000 0.240 941 V C 1.867 177.957 176.094 -0.007 0.000 1.275 941 V CA 0.459 62.764 62.300 0.008 0.000 1.206 941 V CB 0.418 32.252 31.823 0.020 0.000 0.976 941 V HN 0.192 nan 8.190 nan 0.000 0.467 942 E N 0.669 120.861 120.200 -0.013 0.000 2.171 942 E HA -0.219 4.126 4.350 -0.009 0.000 0.197 942 E C 1.982 178.564 176.600 -0.030 0.000 0.997 942 E CA 1.849 58.237 56.400 -0.019 0.000 0.810 942 E CB 0.084 29.770 29.700 -0.024 0.000 0.738 942 E HN 0.430 nan 8.360 nan 0.000 0.467 943 V N 1.018 120.906 119.914 -0.043 0.000 2.323 943 V HA -0.235 3.880 4.120 -0.009 0.000 0.244 943 V C 2.412 178.491 176.094 -0.026 0.000 1.041 943 V CA 1.419 63.691 62.300 -0.045 0.000 1.025 943 V CB -0.403 31.380 31.823 -0.066 0.000 0.656 943 V HN 0.333 nan 8.190 nan 0.000 0.451 944 L N -0.542 120.670 121.223 -0.019 0.000 2.042 944 L HA -0.210 4.124 4.340 -0.009 0.000 0.210 944 L C 2.768 179.630 176.870 -0.013 0.000 1.076 944 L CA 1.693 56.525 54.840 -0.014 0.000 0.749 944 L CB -0.702 41.350 42.059 -0.011 0.000 0.893 944 L HN 0.262 nan 8.230 nan 0.000 0.432 945 R N 0.028 120.521 120.500 -0.012 0.000 2.096 945 R HA -0.187 4.147 4.340 -0.009 0.000 0.229 945 R C 2.358 178.650 176.300 -0.012 0.000 1.134 945 R CA 1.554 57.648 56.100 -0.010 0.000 0.917 945 R CB -0.490 29.805 30.300 -0.009 0.000 0.832 945 R HN 0.205 nan 8.270 nan 0.000 0.430 946 R N 0.489 120.980 120.500 -0.015 0.000 2.371 946 R HA -0.131 4.203 4.340 -0.009 0.000 0.226 946 R C 1.636 177.928 176.300 -0.014 0.000 1.132 946 R CA 0.998 57.089 56.100 -0.015 0.000 1.027 946 R CB -0.007 30.282 30.300 -0.019 0.000 0.848 946 R HN 0.288 nan 8.270 nan 0.000 0.479 947 A N 1.031 123.843 122.820 -0.014 0.000 1.887 947 A HA -0.091 4.223 4.320 -0.009 0.000 0.210 947 A C 1.814 179.391 177.584 -0.011 0.000 1.221 947 A CA 0.739 52.769 52.037 -0.012 0.000 0.635 947 A CB -0.282 18.711 19.000 -0.011 0.000 0.881 947 A HN 0.571 nan 8.150 nan 0.000 0.456 948 E N 0.595 120.788 120.200 -0.012 0.000 2.153 948 E HA -0.225 4.119 4.350 -0.009 0.000 0.194 948 E C 1.703 178.297 176.600 -0.010 0.000 0.988 948 E CA 1.357 57.750 56.400 -0.011 0.000 0.811 948 E CB -0.348 29.346 29.700 -0.011 0.000 0.746 948 E HN 0.553 nan 8.360 nan 0.000 0.466 949 K N 0.274 120.668 120.400 -0.010 0.000 2.097 949 K HA -0.058 4.257 4.320 -0.009 0.000 0.205 949 K C 2.188 178.782 176.600 -0.009 0.000 1.050 949 K CA 0.608 56.890 56.287 -0.009 0.000 0.938 949 K CB -0.080 32.414 32.500 -0.009 0.000 0.718 949 K HN 0.124 nan 8.250 nan 0.000 0.442 950 L N 0.035 121.252 121.223 -0.010 0.000 1.948 950 L HA -0.107 4.227 4.340 -0.009 0.000 0.212 950 L C 1.135 178.000 176.870 -0.009 0.000 1.074 950 L CA 2.516 57.351 54.840 -0.009 0.000 0.753 950 L CB -0.863 41.190 42.059 -0.009 0.000 0.888 950 L HN 0.516 nan 8.230 nan 0.000 0.432 951 G N -2.025 106.770 108.800 -0.009 0.000 2.370 951 G HA2 -0.064 3.891 3.960 -0.009 0.000 0.225 951 G HA3 -0.064 3.891 3.960 -0.009 0.000 0.225 951 G C 0.312 175.206 174.900 -0.009 0.000 1.109 951 G CA -0.065 45.029 45.100 -0.009 0.000 0.871 951 G HN 0.165 nan 8.290 nan 0.000 0.498 952 L N -0.104 121.113 121.223 -0.009 0.000 2.445 952 L HA 0.335 4.670 4.340 -0.009 0.000 0.207 952 L C 1.451 178.313 176.870 -0.013 0.000 1.053 952 L CA 1.227 56.061 54.840 -0.009 0.000 0.841 952 L CB -0.363 41.691 42.059 -0.007 0.000 1.074 952 L HN 0.522 nan 8.230 nan 0.000 0.479 953 V N -1.265 118.640 119.914 -0.016 0.000 2.435 953 V HA 0.496 4.611 4.120 -0.009 0.000 0.290 953 V C 0.454 176.536 176.094 -0.021 0.000 1.030 953 V CA -0.810 61.477 62.300 -0.022 0.000 0.881 953 V CB 0.776 32.584 31.823 -0.025 0.000 0.983 953 V HN 0.450 nan 8.190 nan 0.000 0.445 954 T N 3.499 118.039 114.554 -0.023 0.000 2.829 954 T HA 0.310 4.654 4.350 -0.009 0.000 0.293 954 T C -2.024 172.665 174.700 -0.018 0.000 0.970 954 T CA -0.643 61.445 62.100 -0.019 0.000 1.168 954 T CB 0.148 69.004 68.868 -0.021 0.000 0.911 954 T HN 0.736 nan 8.240 nan 0.000 0.535 955 P HA 0.357 nan 4.420 nan 0.000 0.268 955 P C 1.317 178.610 177.300 -0.011 0.000 1.208 955 P CA 0.950 64.043 63.100 -0.012 0.000 0.777 955 P CB 0.218 31.912 31.700 -0.009 0.000 0.875 956 G N 1.049 109.843 108.800 -0.009 0.000 3.757 956 G HA2 -0.295 3.659 3.960 -0.009 0.000 0.215 956 G HA3 -0.295 3.659 3.960 -0.009 0.000 0.215 956 G C 0.344 175.239 174.900 -0.009 0.000 1.411 956 G CA 0.245 45.341 45.100 -0.007 0.000 0.896 956 G HN 0.731 nan 8.290 nan 0.000 0.581 957 K N 2.300 122.691 120.400 -0.014 0.000 2.543 957 K HA 0.287 4.602 4.320 -0.009 0.000 0.279 957 K C 1.003 177.593 176.600 -0.018 0.000 1.001 957 K CA 0.920 57.196 56.287 -0.018 0.000 1.088 957 K CB 0.116 32.600 32.500 -0.028 0.000 0.863 957 K HN 0.552 nan 8.250 nan 0.000 0.488 958 T N 4.687 119.233 114.554 -0.012 0.000 2.939 958 T HA 0.011 4.356 4.350 -0.009 0.000 0.319 958 T C -1.656 173.035 174.700 -0.016 0.000 1.082 958 T CA -1.186 60.910 62.100 -0.005 0.000 1.133 958 T CB 0.538 69.410 68.868 0.006 0.000 1.019 958 T HN 0.481 nan 8.240 nan 0.000 0.548 959 P HA -0.169 nan 4.420 nan 0.000 0.217 959 P C 1.365 178.635 177.300 -0.051 0.000 1.162 959 P CA 1.627 64.717 63.100 -0.017 0.000 0.901 959 P CB 0.028 31.735 31.700 0.012 0.000 0.793 960 E N 0.172 120.362 120.200 -0.017 0.000 2.048 960 E HA -0.266 4.079 4.350 -0.009 0.000 0.202 960 E C 1.853 178.387 176.600 -0.109 0.000 1.021 960 E CA 1.745 58.130 56.400 -0.024 0.000 0.825 960 E CB -1.053 28.713 29.700 0.109 0.000 0.756 960 E HN 0.069 nan 8.360 nan 0.000 0.454 961 E N -0.182 119.967 120.200 -0.086 0.000 2.511 961 E HA -0.098 4.247 4.350 -0.009 0.000 0.196 961 E C 1.733 178.232 176.600 -0.169 0.000 1.066 961 E CA 0.393 56.704 56.400 -0.149 0.000 0.871 961 E CB 0.058 29.707 29.700 -0.086 0.000 0.863 961 E HN 0.482 nan 8.360 nan 0.000 0.520 962 Q N -0.293 119.429 119.800 -0.131 0.000 2.137 962 Q HA 0.042 4.377 4.340 -0.009 0.000 0.198 962 Q C 2.120 178.045 176.000 -0.124 0.000 0.960 962 Q CA 0.487 56.228 55.803 -0.102 0.000 0.847 962 Q CB 0.255 28.956 28.738 -0.062 0.000 0.915 962 Q HN 0.236 nan 8.270 nan 0.000 0.448 963 L N 0.428 121.554 121.223 -0.163 0.000 2.156 963 L HA -0.136 4.199 4.340 -0.009 0.000 0.208 963 L C 2.397 179.150 176.870 -0.194 0.000 1.095 963 L CA 1.089 55.868 54.840 -0.102 0.000 0.770 963 L CB -0.375 41.636 42.059 -0.080 0.000 0.914 963 L HN 0.241 nan 8.230 nan 0.000 0.439 964 K N 0.755 120.744 120.400 -0.686 0.000 2.002 964 K HA -0.205 4.109 4.320 -0.009 0.000 0.209 964 K C 1.848 178.261 176.600 -0.312 0.000 1.048 964 K CA 1.479 57.134 56.287 -1.054 0.000 0.930 964 K CB 0.028 31.755 32.500 -1.288 0.000 0.714 964 K HN 0.232 nan 8.250 nan 0.000 0.438 965 E N 0.201 120.266 120.200 -0.225 0.000 2.219 965 E HA -0.213 4.131 4.350 -0.009 0.000 0.198 965 E C 1.686 178.263 176.600 -0.038 0.000 0.998 965 E CA 0.892 57.233 56.400 -0.100 0.000 0.818 965 E CB 0.025 29.674 29.700 -0.086 0.000 0.741 965 E HN 0.188 nan 8.360 nan 0.000 0.477 966 L N -0.790 120.422 121.223 -0.018 0.000 2.529 966 L HA 0.100 4.434 4.340 -0.009 0.000 0.223 966 L C 1.432 178.352 176.870 0.084 0.000 1.113 966 L CA 0.690 55.546 54.840 0.027 0.000 0.861 966 L CB 0.120 42.199 42.059 0.034 0.000 1.012 966 L HN 0.015 nan 8.230 nan 0.000 0.461 967 F N -1.029 118.918 119.950 -0.006 0.000 2.374 967 F HA 0.089 4.610 4.527 -0.010 0.000 0.291 967 F C 1.762 177.579 175.800 0.028 0.000 1.084 967 F CA 0.887 58.941 58.000 0.090 0.000 1.413 967 F CB 0.176 39.358 39.000 0.305 0.000 1.099 967 F HN -0.098 nan 8.300 nan 0.000 0.534 968 L N 0.199 121.532 121.223 0.184 0.000 2.551 968 L HA -0.105 4.229 4.340 -0.009 0.000 0.228 968 L C 1.752 178.626 176.870 0.006 0.000 1.153 968 L CA 0.712 55.613 54.840 0.102 0.000 0.851 968 L CB -0.495 41.613 42.059 0.081 0.000 0.959 968 L HN 0.271 nan 8.230 nan 0.000 0.451 969 Q N -0.525 119.252 119.800 -0.037 0.000 2.424 969 Q HA 0.059 4.393 4.340 -0.009 0.000 0.204 969 Q C 1.590 177.512 176.000 -0.130 0.000 0.933 969 Q CA 0.673 56.462 55.803 -0.024 0.000 0.929 969 Q CB 0.629 29.359 28.738 -0.014 0.000 1.037 969 Q HN 0.602 nan 8.270 nan 0.000 0.511 970 G N 1.306 109.878 108.800 -0.381 0.000 2.238 970 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.217 970 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.217 970 G C 0.025 174.518 174.900 -0.678 0.000 0.996 970 G CA -0.166 44.368 45.100 -0.943 0.000 0.632 970 G HN 0.247 nan 8.290 nan 0.000 0.503 971 K N 0.532 120.721 120.400 -0.352 0.000 2.106 971 K HA 0.807 5.122 4.320 -0.009 0.000 0.246 971 K C 0.131 176.662 176.600 -0.116 0.000 0.987 971 K CA -0.312 55.859 56.287 -0.194 0.000 0.904 971 K CB 2.736 35.192 32.500 -0.073 0.000 1.071 971 K HN 0.874 nan 8.250 nan 0.000 0.453 972 V N -2.941 116.974 119.914 0.001 0.000 3.160 972 V HA 0.408 4.523 4.120 -0.009 0.000 0.310 972 V C -0.597 175.601 176.094 0.172 0.000 1.181 972 V CA -1.196 61.212 62.300 0.181 0.000 1.047 972 V CB 1.849 33.834 31.823 0.270 0.000 1.068 972 V HN 0.470 nan 8.190 nan 0.000 0.441 973 V N 2.976 123.033 119.914 0.238 0.000 2.387 973 V HA 0.324 4.438 4.120 -0.009 0.000 0.260 973 V C 0.092 176.335 176.094 0.248 0.000 1.054 973 V CA 0.195 62.592 62.300 0.161 0.000 0.967 973 V CB 0.440 32.331 31.823 0.114 0.000 1.036 973 V HN 0.679 nan 8.190 nan 0.000 0.481 974 L N 6.098 127.425 121.223 0.173 0.000 2.360 974 L HA 0.555 4.889 4.340 -0.009 0.000 0.271 974 L C -0.631 176.384 176.870 0.241 0.000 1.057 974 L CA 0.029 55.036 54.840 0.278 0.000 0.803 974 L CB 1.320 43.474 42.059 0.157 0.000 1.207 974 L HN 0.463 nan 8.230 nan 0.000 0.445 975 Y N 0.302 120.645 120.300 0.071 0.000 2.468 975 Y HA 0.332 4.881 4.550 -0.003 0.000 0.342 975 Y C -0.051 175.678 175.900 -0.286 0.000 1.021 975 Y CA -1.503 56.574 58.100 -0.037 0.000 1.079 975 Y CB 0.957 39.498 38.460 0.135 0.000 1.226 975 Y HN 0.446 nan 8.280 nan 0.000 0.460 976 D N 0.850 121.221 120.400 -0.049 0.000 2.383 976 D HA 0.106 4.740 4.640 -0.009 0.000 0.252 976 D C 1.121 177.290 176.300 -0.218 0.000 1.166 976 D CA 0.318 54.264 54.000 -0.089 0.000 0.879 976 D CB 1.566 42.353 40.800 -0.022 0.000 1.164 976 D HN 0.908 nan 8.370 nan 0.000 0.462 977 G N 3.622 112.304 108.800 -0.196 0.000 2.708 977 G HA2 -0.170 3.784 3.960 -0.009 0.000 0.210 977 G HA3 -0.170 3.784 3.960 -0.009 0.000 0.210 977 G C 1.311 176.230 174.900 0.030 0.000 1.141 977 G CA 0.265 45.298 45.100 -0.111 0.000 0.788 977 G HN 0.503 nan 8.290 nan 0.000 0.531 978 R N -1.318 119.199 120.500 0.028 0.000 2.191 978 R HA 0.137 4.472 4.340 -0.009 0.000 0.196 978 R C 2.008 178.330 176.300 0.035 0.000 0.991 978 R CA 0.903 57.029 56.100 0.043 0.000 1.075 978 R CB -0.139 30.184 30.300 0.037 0.000 1.040 978 R HN 0.188 nan 8.270 nan 0.000 0.526 979 T N -0.867 113.702 114.554 0.025 0.000 3.054 979 T HA 0.206 4.550 4.350 -0.009 0.000 0.255 979 T C 1.313 176.051 174.700 0.063 0.000 1.035 979 T CA 0.738 62.857 62.100 0.033 0.000 0.941 979 T CB 0.260 69.136 68.868 0.013 0.000 1.026 979 T HN 0.472 nan 8.240 nan 0.000 0.533 980 G N 1.608 110.464 108.800 0.093 0.000 2.623 980 G HA2 -0.307 3.647 3.960 -0.009 0.000 0.241 980 G HA3 -0.307 3.647 3.960 -0.009 0.000 0.241 980 G C 0.071 175.085 174.900 0.190 0.000 1.114 980 G CA 0.736 45.937 45.100 0.168 0.000 0.682 980 G HN 0.634 nan 8.290 nan 0.000 0.524 981 E N 2.110 122.373 120.200 0.104 0.000 2.418 981 E HA 0.357 4.701 4.350 -0.009 0.000 0.261 981 E C -1.915 174.713 176.600 0.046 0.000 1.070 981 E CA -0.990 55.451 56.400 0.068 0.000 0.931 981 E CB 0.600 30.316 29.700 0.027 0.000 0.954 981 E HN 0.358 nan 8.360 nan 0.000 0.439 982 P HA 0.206 nan 4.420 nan 0.000 0.312 982 P C -0.440 176.807 177.300 -0.088 0.000 1.308 982 P CA -0.382 62.631 63.100 -0.146 0.000 0.743 982 P CB 0.621 32.112 31.700 -0.350 0.000 1.364 983 I N 0.559 121.071 120.570 -0.097 0.000 2.412 983 I HA 0.105 4.270 4.170 -0.009 0.000 0.279 983 I C 0.749 176.832 176.117 -0.057 0.000 1.063 983 I CA -0.632 60.636 61.300 -0.053 0.000 1.193 983 I CB 0.124 38.111 38.000 -0.020 0.000 1.370 983 I HN 0.396 nan 8.210 nan 0.000 0.479 984 E N 5.939 126.107 120.200 -0.054 0.000 3.024 984 E HA 0.040 4.384 4.350 -0.009 0.000 0.224 984 E C 0.190 176.769 176.600 -0.035 0.000 1.135 984 E CA 0.237 56.609 56.400 -0.046 0.000 0.934 984 E CB -0.401 29.277 29.700 -0.036 0.000 0.977 984 E HN 0.821 nan 8.360 nan 0.000 0.537 985 G N 2.962 111.741 108.800 -0.036 0.000 3.239 985 G HA2 -0.030 3.924 3.960 -0.009 0.000 0.666 985 G HA3 -0.030 3.924 3.960 -0.009 0.000 0.666 985 G C -2.844 172.049 174.900 -0.012 0.000 1.313 985 G CA -1.029 44.058 45.100 -0.021 0.000 1.001 985 G HN 0.314 nan 8.290 nan 0.000 0.573 986 P HA 0.223 nan 4.420 nan 0.000 0.264 986 P C 0.221 177.526 177.300 0.009 0.000 1.173 986 P CA 0.256 63.362 63.100 0.010 0.000 0.761 986 P CB 0.408 32.115 31.700 0.010 0.000 0.794 987 I N 2.993 123.573 120.570 0.017 0.000 2.563 987 I HA 0.104 4.268 4.170 -0.009 0.000 0.276 987 I C 0.156 176.276 176.117 0.005 0.000 1.074 987 I CA -1.071 60.240 61.300 0.018 0.000 1.124 987 I CB 1.541 39.560 38.000 0.032 0.000 1.225 987 I HN 0.117 nan 8.210 nan 0.000 0.482 988 V N 8.374 128.284 119.914 -0.006 0.000 2.678 988 V HA 0.003 4.118 4.120 -0.009 0.000 0.304 988 V C 0.148 176.231 176.094 -0.017 0.000 1.086 988 V CA 0.627 62.907 62.300 -0.034 0.000 1.246 988 V CB 0.686 32.535 31.823 0.043 0.000 0.861 988 V HN 0.506 nan 8.190 nan 0.000 0.491 989 V N 4.645 124.524 119.914 -0.058 0.000 3.164 989 V HA 1.179 5.294 4.120 -0.009 0.000 0.313 989 V C 0.202 176.278 176.094 -0.030 0.000 1.188 989 V CA 0.126 62.406 62.300 -0.034 0.000 1.058 989 V CB 1.519 33.318 31.823 -0.041 0.000 1.110 989 V HN 1.607 nan 8.190 nan 0.000 0.453 990 G N -0.028 108.758 108.800 -0.023 0.000 2.335 990 G HA2 0.393 4.348 3.960 -0.009 0.000 0.291 990 G HA3 0.393 4.348 3.960 -0.009 0.000 0.291 990 G C -1.862 173.033 174.900 -0.010 0.000 1.261 990 G CA -0.630 44.477 45.100 0.011 0.000 0.871 990 G HN 0.775 nan 8.290 nan 0.000 0.491 991 Q N 0.684 120.520 119.800 0.059 0.000 2.508 991 Q HA 0.441 4.776 4.340 -0.009 0.000 0.247 991 Q C -0.605 175.472 176.000 0.128 0.000 1.047 991 Q CA -0.212 55.633 55.803 0.069 0.000 0.783 991 Q CB 1.461 30.269 28.738 0.116 0.000 1.172 991 Q HN 0.474 nan 8.270 nan 0.000 0.515 992 M N 2.009 121.680 119.600 0.118 0.000 2.363 992 M HA 0.354 4.828 4.480 -0.009 0.000 0.343 992 M C -0.674 175.756 176.300 0.217 0.000 1.165 992 M CA -0.710 54.689 55.300 0.165 0.000 1.046 992 M CB 1.187 33.865 32.600 0.131 0.000 1.648 992 M HN 0.537 nan 8.290 nan 0.000 0.452 993 F N 5.910 125.901 119.950 0.067 0.000 2.494 993 F HA 0.320 4.842 4.527 -0.009 0.000 0.351 993 F C -0.861 174.975 175.800 0.059 0.000 1.205 993 F CA -0.442 57.589 58.000 0.052 0.000 1.125 993 F CB 0.092 39.106 39.000 0.023 0.000 1.268 993 F HN 0.375 nan 8.300 nan 0.000 0.593 994 I N 7.959 128.432 120.570 -0.162 0.000 2.312 994 I HA 0.220 4.385 4.170 -0.009 0.000 0.290 994 I C -0.186 175.778 176.117 -0.255 0.000 1.008 994 I CA -0.503 60.682 61.300 -0.191 0.000 1.226 994 I CB 1.400 39.444 38.000 0.074 0.000 1.371 994 I HN 0.571 nan 8.210 nan 0.000 0.468 995 M N 5.887 125.256 119.600 -0.385 0.000 2.359 995 M HA 0.382 4.857 4.480 -0.009 0.000 0.322 995 M C -0.100 176.224 176.300 0.041 0.000 1.166 995 M CA -0.495 54.672 55.300 -0.222 0.000 1.067 995 M CB 1.175 33.606 32.600 -0.283 0.000 1.523 995 M HN 0.355 nan 8.290 nan 0.000 0.467 996 K N 2.406 122.890 120.400 0.141 0.000 2.240 996 K HA 0.506 4.820 4.320 -0.009 0.000 0.271 996 K C -1.425 175.253 176.600 0.130 0.000 1.018 996 K CA -0.408 55.991 56.287 0.187 0.000 0.874 996 K CB 0.735 33.417 32.500 0.302 0.000 1.098 996 K HN 0.700 nan 8.250 nan 0.000 0.458 997 L N 4.853 126.146 121.223 0.116 0.000 2.349 997 L HA 0.200 4.534 4.340 -0.009 0.000 0.275 997 L C 0.304 177.309 176.870 0.225 0.000 1.115 997 L CA -0.915 54.011 54.840 0.144 0.000 0.820 997 L CB 0.211 42.332 42.059 0.103 0.000 1.135 997 L HN 0.639 nan 8.230 nan 0.000 0.445 998 Y N 2.296 122.658 120.300 0.102 0.000 2.683 998 Y HA -0.032 4.513 4.550 -0.009 0.000 0.340 998 Y C 0.091 176.110 175.900 0.197 0.000 1.245 998 Y CA 0.131 58.307 58.100 0.128 0.000 1.485 998 Y CB 0.242 38.760 38.460 0.097 0.000 1.328 998 Y HN 0.399 nan 8.280 nan 0.000 0.603 999 H N 5.119 123.806 119.070 -0.637 0.000 2.458 999 H HA 0.381 4.931 4.556 -0.009 0.000 0.330 999 H C -0.135 174.717 175.328 -0.793 0.000 1.111 999 H CA -0.568 55.147 56.048 -0.555 0.000 1.245 999 H CB 0.773 30.302 29.762 -0.388 0.000 1.456 999 H HN 0.624 nan 8.280 nan 0.000 0.488 1000 M N 2.615 122.023 119.600 -0.321 0.000 2.471 1000 M HA 0.067 4.542 4.480 -0.009 0.000 0.309 1000 M C 1.596 177.828 176.300 -0.114 0.000 1.186 1000 M CA -0.658 54.530 55.300 -0.188 0.000 1.008 1000 M CB 1.696 34.250 32.600 -0.077 0.000 1.551 1000 M HN 0.587 nan 8.290 nan 0.000 0.477 1001 V N -0.039 119.855 119.914 -0.033 0.000 2.688 1001 V HA -0.246 3.868 4.120 -0.009 0.000 0.256 1001 V C 1.608 177.750 176.094 0.080 0.000 1.084 1001 V CA 2.119 64.433 62.300 0.023 0.000 1.103 1001 V CB -1.533 30.327 31.823 0.063 0.000 0.688 1001 V HN 0.974 nan 8.190 nan 0.000 0.480 1002 E N 0.455 120.680 120.200 0.042 0.000 2.072 1002 E HA -0.244 4.100 4.350 -0.009 0.000 0.190 1002 E C 2.018 178.656 176.600 0.063 0.000 0.982 1002 E CA 1.225 57.668 56.400 0.073 0.000 0.803 1002 E CB -0.667 29.021 29.700 -0.020 0.000 0.755 1002 E HN 0.559 nan 8.360 nan 0.000 0.453 1003 D N 1.899 122.251 120.400 -0.081 0.000 2.190 1003 D HA -0.178 4.456 4.640 -0.009 0.000 0.200 1003 D C 0.647 176.899 176.300 -0.080 0.000 0.992 1003 D CA 0.671 54.565 54.000 -0.176 0.000 0.854 1003 D CB -0.046 40.436 40.800 -0.530 0.000 0.936 1003 D HN 0.106 nan 8.370 nan 0.000 0.462 1004 K N 0.616 120.985 120.400 -0.052 0.000 2.559 1004 K HA -0.123 4.192 4.320 -0.009 0.000 0.279 1004 K C 0.337 176.757 176.600 -0.300 0.000 0.967 1004 K CA -0.041 56.159 56.287 -0.146 0.000 1.000 1004 K CB 0.463 32.840 32.500 -0.205 0.000 0.890 1004 K HN 0.031 nan 8.250 nan 0.000 0.501 1005 M N 4.041 123.459 119.600 -0.305 0.000 2.216 1005 M HA 0.134 4.608 4.480 -0.009 0.000 0.356 1005 M C -1.315 174.483 176.300 -0.838 0.000 1.205 1005 M CA -0.092 55.005 55.300 -0.337 0.000 1.122 1005 M CB 0.546 33.034 32.600 -0.186 0.000 1.571 1005 M HN 0.638 nan 8.290 nan 0.000 0.464 1006 H N 3.329 121.940 119.070 -0.765 0.000 2.495 1006 H HA 0.762 5.312 4.556 -0.009 0.000 0.348 1006 H C -1.101 173.768 175.328 -0.766 0.000 1.113 1006 H CA -0.648 54.501 56.048 -1.498 0.000 1.195 1006 H CB 1.798 31.016 29.762 -0.907 0.000 1.521 1006 H HN 0.772 nan 8.280 nan 0.000 0.509 1007 A N 3.221 125.763 122.820 -0.464 0.000 2.414 1007 A HA 0.564 4.878 4.320 -0.009 0.000 0.286 1007 A C -0.737 176.997 177.584 0.250 0.000 1.073 1007 A CA -0.757 51.287 52.037 0.012 0.000 0.727 1007 A CB 0.897 19.930 19.000 0.055 0.000 1.215 1007 A HN 0.732 nan 8.150 nan 0.000 0.430 1008 R N 2.848 123.440 120.500 0.153 0.000 2.358 1008 R HA 0.430 4.765 4.340 -0.009 0.000 0.309 1008 R C 0.482 176.833 176.300 0.085 0.000 1.026 1008 R CA 0.124 56.314 56.100 0.151 0.000 0.909 1008 R CB 1.391 31.767 30.300 0.126 0.000 1.153 1008 R HN 0.761 nan 8.270 nan 0.000 0.515 1009 S N 2.154 117.903 115.700 0.081 0.000 2.329 1009 S HA 0.069 4.534 4.470 -0.009 0.000 0.215 1009 S C 0.406 175.040 174.600 0.058 0.000 1.031 1009 S CA 1.197 59.437 58.200 0.067 0.000 0.985 1009 S CB 0.236 63.476 63.200 0.066 0.000 0.917 1009 S HN 0.670 nan 8.310 nan 0.000 0.441 1010 T N -0.992 113.586 114.554 0.039 0.000 2.787 1010 T HA 0.714 5.059 4.350 -0.009 0.000 0.297 1010 T C -0.217 174.506 174.700 0.039 0.000 1.221 1010 T CA -0.233 61.896 62.100 0.050 0.000 1.006 1010 T CB 1.531 70.391 68.868 -0.013 0.000 1.328 1010 T HN 0.661 nan 8.240 nan 0.000 0.509 1011 G N 0.303 109.161 108.800 0.097 0.000 2.392 1011 G HA2 0.520 4.474 3.960 -0.009 0.000 0.260 1011 G HA3 0.520 4.474 3.960 -0.009 0.000 0.260 1011 G C -3.211 171.769 174.900 0.132 0.000 1.226 1011 G CA -0.668 44.463 45.100 0.052 0.000 0.913 1011 G HN 0.630 nan 8.290 nan 0.000 0.483 1012 P HA 0.469 nan 4.420 nan 0.000 0.271 1012 P C -1.342 175.968 177.300 0.017 0.000 1.238 1012 P CA 0.302 63.454 63.100 0.086 0.000 0.794 1012 P CB 0.217 31.920 31.700 0.005 0.000 0.959 1013 Y N -1.410 118.889 120.300 -0.001 0.000 2.482 1013 Y HA 0.270 4.815 4.550 -0.009 0.000 0.334 1013 Y C 0.733 176.637 175.900 0.008 0.000 1.091 1013 Y CA -0.656 57.447 58.100 0.004 0.000 1.027 1013 Y CB 1.838 40.299 38.460 0.002 0.000 1.306 1013 Y HN 0.248 nan 8.280 nan 0.000 0.446 1014 S N 2.163 117.927 115.700 0.107 0.000 2.614 1014 S HA 0.038 4.503 4.470 -0.009 0.000 0.251 1014 S C 0.889 175.543 174.600 0.090 0.000 1.388 1014 S CA -0.020 58.224 58.200 0.074 0.000 0.973 1014 S CB 0.327 63.556 63.200 0.049 0.000 0.926 1014 S HN 0.789 nan 8.310 nan 0.000 0.580 1015 L N 1.544 122.804 121.223 0.060 0.000 2.121 1015 L HA 0.063 4.398 4.340 -0.009 0.000 0.200 1015 L C 1.983 178.884 176.870 0.052 0.000 1.132 1015 L CA 0.806 55.678 54.840 0.052 0.000 0.782 1015 L CB -0.639 41.442 42.059 0.038 0.000 0.940 1015 L HN 0.809 nan 8.230 nan 0.000 0.458 1016 I N -0.202 120.394 120.570 0.044 0.000 2.332 1016 I HA -0.107 4.058 4.170 -0.009 0.000 0.211 1016 I C 1.448 177.597 176.117 0.053 0.000 1.055 1016 I CA 1.127 62.453 61.300 0.043 0.000 1.366 1016 I CB -2.464 35.556 38.000 0.034 0.000 1.173 1016 I HN 0.374 nan 8.210 nan 0.000 0.400 1017 T N 1.641 116.224 114.554 0.049 0.000 2.666 1017 T HA -0.056 4.289 4.350 -0.009 0.000 0.265 1017 T C 0.727 175.471 174.700 0.073 0.000 1.009 1017 T CA -0.079 62.054 62.100 0.055 0.000 1.238 1017 T CB -0.276 68.617 68.868 0.041 0.000 0.969 1017 T HN 0.343 nan 8.240 nan 0.000 0.515 1018 Q N 2.191 122.046 119.800 0.091 0.000 2.476 1018 Q HA -0.024 4.310 4.340 -0.009 0.000 0.215 1018 Q C 1.036 177.145 176.000 0.182 0.000 0.966 1018 Q CA 0.389 56.272 55.803 0.134 0.000 0.976 1018 Q CB -0.196 28.610 28.738 0.114 0.000 0.988 1018 Q HN 0.928 nan 8.270 nan 0.000 0.526 1019 Q N 0.145 120.011 119.800 0.109 0.000 2.279 1019 Q HA 0.379 4.713 4.340 -0.009 0.000 0.256 1019 Q C -2.435 173.542 176.000 -0.038 0.000 0.937 1019 Q CA -2.215 53.627 55.803 0.065 0.000 0.933 1019 Q CB 0.395 29.154 28.738 0.034 0.000 1.189 1019 Q HN -0.138 nan 8.270 nan 0.000 0.417 1020 P HA -0.107 nan 4.420 nan 0.000 0.272 1020 P C -1.005 176.114 177.300 -0.302 0.000 1.194 1020 P CA 0.354 63.113 63.100 -0.567 0.000 0.777 1020 P CB 0.275 31.688 31.700 -0.480 0.000 0.814 1021 L N 0.187 121.221 121.223 -0.315 0.000 2.940 1021 L HA 0.715 5.049 4.340 -0.009 0.000 0.270 1021 L C -0.113 176.687 176.870 -0.117 0.000 1.030 1021 L CA -0.096 54.656 54.840 -0.147 0.000 0.928 1021 L CB 1.378 43.384 42.059 -0.087 0.000 1.506 1021 L HN 0.539 nan 8.230 nan 0.000 0.405 1022 G N -1.135 107.634 108.800 -0.050 0.000 3.252 1022 G HA2 0.776 4.731 3.960 -0.009 0.000 0.181 1022 G HA3 0.776 4.731 3.960 -0.009 0.000 0.181 1022 G C -0.391 174.497 174.900 -0.021 0.000 1.187 1022 G CA -0.016 45.066 45.100 -0.030 0.000 0.886 1022 G HN 1.246 nan 8.290 nan 0.000 0.615 1023 G N -1.082 107.704 108.800 -0.023 0.000 3.307 1023 G HA2 0.173 4.128 3.960 -0.009 0.000 0.147 1023 G HA3 0.173 4.128 3.960 -0.009 0.000 0.147 1023 G C 0.707 175.584 174.900 -0.037 0.000 1.183 1023 G CA 0.600 45.688 45.100 -0.021 0.000 1.485 1023 G HN 0.521 nan 8.290 nan 0.000 0.726 1024 K N 0.321 120.689 120.400 -0.052 0.000 2.054 1024 K HA 0.477 4.792 4.320 -0.009 0.000 0.207 1024 K C 2.598 179.120 176.600 -0.129 0.000 1.031 1024 K CA 0.992 57.240 56.287 -0.065 0.000 0.952 1024 K CB -0.111 32.365 32.500 -0.039 0.000 0.775 1024 K HN 0.312 nan 8.250 nan 0.000 0.447 1025 A N 1.502 124.238 122.820 -0.139 0.000 1.991 1025 A HA -0.021 4.293 4.320 -0.009 0.000 0.217 1025 A C 0.343 177.715 177.584 -0.354 0.000 1.487 1025 A CA 0.295 52.203 52.037 -0.216 0.000 0.603 1025 A CB -0.790 18.129 19.000 -0.134 0.000 1.112 1025 A HN 0.275 nan 8.150 nan 0.000 0.492 1026 Q N 0.132 119.798 119.800 -0.223 0.000 2.320 1026 Q HA 0.172 4.507 4.340 -0.009 0.000 0.311 1026 Q C -0.872 175.027 176.000 -0.169 0.000 1.083 1026 Q CA 0.089 55.783 55.803 -0.181 0.000 1.001 1026 Q CB -0.142 28.554 28.738 -0.070 0.000 1.074 1026 Q HN 0.452 nan 8.270 nan 0.000 0.379 1027 F N 0.702 120.664 119.950 0.021 0.000 2.532 1027 F HA 0.210 4.732 4.527 -0.009 0.000 0.323 1027 F C 1.451 177.254 175.800 0.006 0.000 1.234 1027 F CA 0.612 58.641 58.000 0.049 0.000 1.323 1027 F CB 0.272 39.333 39.000 0.101 0.000 1.183 1027 F HN 0.504 nan 8.300 nan 0.000 0.589 1028 G N -0.201 108.739 108.800 0.233 0.000 2.389 1028 G HA2 0.493 4.448 3.960 -0.009 0.000 0.317 1028 G HA3 0.493 4.448 3.960 -0.009 0.000 0.317 1028 G C -0.040 174.873 174.900 0.021 0.000 1.137 1028 G CA -0.493 44.645 45.100 0.064 0.000 0.870 1028 G HN 0.904 nan 8.290 nan 0.000 0.496 1029 G N -0.044 108.734 108.800 -0.037 0.000 2.647 1029 G HA2 0.336 4.291 3.960 -0.009 0.000 0.234 1029 G HA3 0.336 4.291 3.960 -0.009 0.000 0.234 1029 G C 0.296 175.170 174.900 -0.044 0.000 1.252 1029 G CA 0.141 45.215 45.100 -0.042 0.000 0.846 1029 G HN 0.706 nan 8.290 nan 0.000 0.589 1030 Q N -0.674 119.106 119.800 -0.033 0.000 2.177 1030 Q HA 0.469 4.804 4.340 -0.009 0.000 0.183 1030 Q C 0.524 176.515 176.000 -0.015 0.000 1.040 1030 Q CA -0.407 55.371 55.803 -0.043 0.000 1.089 1030 Q CB 0.470 29.191 28.738 -0.028 0.000 1.130 1030 Q HN 0.572 nan 8.270 nan 0.000 0.575 1031 R N 0.953 121.444 120.500 -0.015 0.000 2.388 1031 R HA 0.314 4.648 4.340 -0.009 0.000 0.314 1031 R C -1.673 174.637 176.300 0.016 0.000 0.959 1031 R CA -0.376 55.722 56.100 -0.004 0.000 0.851 1031 R CB 0.206 30.476 30.300 -0.050 0.000 1.168 1031 R HN 0.554 nan 8.270 nan 0.000 0.472 1032 F N 4.507 124.414 119.950 -0.072 0.000 2.350 1032 F HA 0.543 5.065 4.527 -0.009 0.000 0.365 1032 F C 0.086 175.824 175.800 -0.104 0.000 1.122 1032 F CA 0.069 58.021 58.000 -0.080 0.000 1.139 1032 F CB 1.050 40.016 39.000 -0.058 0.000 1.220 1032 F HN 0.637 nan 8.300 nan 0.000 0.499 1033 G N 4.037 112.495 108.800 -0.571 0.000 3.016 1033 G HA2 0.229 4.184 3.960 -0.009 0.000 0.270 1033 G HA3 0.229 4.184 3.960 -0.009 0.000 0.270 1033 G C 0.403 174.906 174.900 -0.662 0.000 1.352 1033 G CA -0.171 44.652 45.100 -0.463 0.000 1.060 1033 G HN 0.626 nan 8.290 nan 0.000 0.538 1034 E N -0.853 118.991 120.200 -0.594 0.000 2.086 1034 E HA -0.274 4.071 4.350 -0.009 0.000 0.200 1034 E C 2.064 177.670 176.600 -1.658 0.000 1.012 1034 E CA 1.639 57.463 56.400 -0.961 0.000 0.812 1034 E CB -0.276 28.959 29.700 -0.775 0.000 0.743 1034 E HN 0.426 nan 8.360 nan 0.000 0.453 1035 M N 0.075 118.943 119.600 -1.221 0.000 2.319 1035 M HA -0.032 4.443 4.480 -0.009 0.000 0.265 1035 M C 1.199 177.143 176.300 -0.593 0.000 1.068 1035 M CA 1.159 55.904 55.300 -0.924 0.000 1.118 1035 M CB 0.003 32.337 32.600 -0.444 0.000 1.395 1035 M HN 0.031 nan 8.290 nan 0.000 0.435 1036 E N -0.144 119.649 120.200 -0.678 0.000 2.476 1036 E HA 0.010 4.355 4.350 -0.009 0.000 0.191 1036 E C 1.608 177.782 176.600 -0.711 0.000 1.064 1036 E CA 0.158 56.182 56.400 -0.625 0.000 0.866 1036 E CB 0.074 29.326 29.700 -0.746 0.000 0.952 1036 E HN 0.215 nan 8.360 nan 0.000 0.492 1037 V N -0.668 118.839 119.914 -0.678 0.000 2.490 1037 V HA -0.078 4.037 4.120 -0.009 0.000 0.238 1037 V C 1.405 177.476 176.094 -0.038 0.000 1.056 1037 V CA 0.741 62.867 62.300 -0.290 0.000 1.075 1037 V CB -0.377 31.259 31.823 -0.312 0.000 0.746 1037 V HN 0.432 nan 8.190 nan 0.000 0.479 1038 W N 0.811 122.075 121.300 -0.059 0.000 2.480 1038 W HA -0.031 4.623 4.660 -0.010 0.000 0.257 1038 W C 2.418 178.893 176.519 -0.074 0.000 1.235 1038 W CA 0.978 58.293 57.345 -0.051 0.000 1.218 1038 W CB -1.345 28.076 29.460 -0.064 0.000 1.131 1038 W HN 0.356 nan 8.180 nan 0.000 0.606 1039 A N -0.421 122.443 122.820 0.074 0.000 1.970 1039 A HA 0.009 4.324 4.320 -0.009 0.000 0.216 1039 A C 1.968 179.542 177.584 -0.017 0.000 1.170 1039 A CA 0.924 52.937 52.037 -0.040 0.000 0.645 1039 A CB -0.492 18.470 19.000 -0.064 0.000 0.816 1039 A HN 0.110 nan 8.150 nan 0.000 0.447 1040 L N -0.205 121.099 121.223 0.135 0.000 2.446 1040 L HA 0.096 4.431 4.340 -0.009 0.000 0.219 1040 L C 2.101 179.091 176.870 0.200 0.000 1.116 1040 L CA 1.125 56.110 54.840 0.243 0.000 0.844 1040 L CB -0.443 41.796 42.059 0.300 0.000 0.970 1040 L HN 0.430 nan 8.230 nan 0.000 0.457 1041 E N -0.424 119.875 120.200 0.165 0.000 2.046 1041 E HA -0.125 4.219 4.350 -0.009 0.000 0.190 1041 E C 2.256 178.920 176.600 0.107 0.000 0.982 1041 E CA 1.004 57.489 56.400 0.142 0.000 0.800 1041 E CB -0.102 29.703 29.700 0.175 0.000 0.756 1041 E HN 0.442 nan 8.360 nan 0.000 0.449 1042 A N 1.400 124.264 122.820 0.073 0.000 1.851 1042 A HA -0.172 4.143 4.320 -0.009 0.000 0.216 1042 A C 1.206 178.840 177.584 0.084 0.000 1.195 1042 A CA 1.050 53.101 52.037 0.023 0.000 0.622 1042 A CB -1.017 17.943 19.000 -0.067 0.000 0.831 1042 A HN 0.222 nan 8.150 nan 0.000 0.444 1043 Y N -1.322 119.009 120.300 0.052 0.000 2.151 1043 Y HA 0.102 4.646 4.550 -0.010 0.000 0.367 1043 Y C 2.111 178.027 175.900 0.027 0.000 1.247 1043 Y CA -0.242 57.882 58.100 0.039 0.000 1.655 1043 Y CB 0.248 38.736 38.460 0.046 0.000 1.401 1043 Y HN 0.238 nan 8.280 nan 0.000 0.725 1044 G N -0.028 108.899 108.800 0.211 0.000 2.437 1044 G HA2 0.056 4.011 3.960 -0.009 0.000 0.212 1044 G HA3 0.056 4.011 3.960 -0.009 0.000 0.212 1044 G C 0.306 175.237 174.900 0.052 0.000 1.174 1044 G CA 0.299 45.447 45.100 0.081 0.000 0.811 1044 G HN 0.826 nan 8.290 nan 0.000 0.537 1045 A N 0.353 123.203 122.820 0.049 0.000 2.589 1045 A HA 0.357 4.671 4.320 -0.009 0.000 0.265 1045 A C 1.450 179.052 177.584 0.030 0.000 0.973 1045 A CA 1.228 53.289 52.037 0.041 0.000 0.902 1045 A CB 0.026 19.069 19.000 0.072 0.000 0.846 1045 A HN 1.200 nan 8.150 nan 0.000 0.489 1046 A N 2.347 125.136 122.820 -0.052 0.000 1.988 1046 A HA 0.220 4.535 4.320 -0.009 0.000 0.198 1046 A C 1.721 179.234 177.584 -0.119 0.000 1.507 1046 A CA 0.674 52.639 52.037 -0.120 0.000 0.901 1046 A CB -0.331 18.515 19.000 -0.257 0.000 1.007 1046 A HN 0.882 nan 8.150 nan 0.000 0.502 1047 H N 0.545 119.613 119.070 -0.004 0.000 2.389 1047 H HA -0.056 4.495 4.556 -0.009 0.000 0.299 1047 H C 2.069 177.377 175.328 -0.034 0.000 1.081 1047 H CA 1.839 57.875 56.048 -0.021 0.000 1.345 1047 H CB -0.575 29.173 29.762 -0.024 0.000 1.393 1047 H HN 0.397 nan 8.280 nan 0.000 0.520 1048 T N 1.479 116.086 114.554 0.090 0.000 2.759 1048 T HA -0.127 4.217 4.350 -0.009 0.000 0.269 1048 T C 2.122 176.792 174.700 -0.050 0.000 1.042 1048 T CA 0.857 62.966 62.100 0.015 0.000 1.140 1048 T CB -0.344 68.538 68.868 0.024 0.000 0.864 1048 T HN 0.077 nan 8.240 nan 0.000 0.455 1049 L N 0.598 121.813 121.223 -0.012 0.000 2.395 1049 L HA 0.100 4.435 4.340 -0.009 0.000 0.218 1049 L C 2.360 179.200 176.870 -0.050 0.000 1.130 1049 L CA 1.286 56.110 54.840 -0.027 0.000 0.826 1049 L CB -0.436 41.667 42.059 0.074 0.000 0.941 1049 L HN 0.257 nan 8.230 nan 0.000 0.451 1050 Q N -0.484 119.301 119.800 -0.026 0.000 1.961 1050 Q HA -0.200 4.134 4.340 -0.009 0.000 0.197 1050 Q C 1.911 177.878 176.000 -0.055 0.000 0.977 1050 Q CA 1.478 57.267 55.803 -0.024 0.000 0.830 1050 Q CB -0.134 28.613 28.738 0.015 0.000 0.896 1050 Q HN 0.421 nan 8.270 nan 0.000 0.437 1051 E N 0.144 120.317 120.200 -0.045 0.000 2.284 1051 E HA -0.234 4.110 4.350 -0.009 0.000 0.200 1051 E C 1.637 178.166 176.600 -0.119 0.000 1.008 1051 E CA 1.503 57.865 56.400 -0.063 0.000 0.829 1051 E CB -0.054 29.618 29.700 -0.048 0.000 0.744 1051 E HN 0.325 nan 8.360 nan 0.000 0.491 1052 M N -0.514 118.961 119.600 -0.208 0.000 2.349 1052 M HA -0.001 4.473 4.480 -0.009 0.000 0.266 1052 M C 0.722 176.837 176.300 -0.307 0.000 1.076 1052 M CA 1.163 56.225 55.300 -0.397 0.000 1.126 1052 M CB 0.543 32.665 32.600 -0.796 0.000 1.392 1052 M HN 0.008 nan 8.290 nan 0.000 0.440 1053 L N -0.894 120.227 121.223 -0.169 0.000 2.728 1053 L HA 0.273 4.608 4.340 -0.009 0.000 0.238 1053 L C 0.605 177.457 176.870 -0.030 0.000 1.143 1053 L CA 0.450 55.252 54.840 -0.063 0.000 0.937 1053 L CB -1.071 40.981 42.059 -0.011 0.000 1.225 1053 L HN 0.311 nan 8.230 nan 0.000 0.507 1054 T N -1.925 112.604 114.554 -0.042 0.000 3.464 1054 T HA 0.191 4.535 4.350 -0.009 0.000 0.222 1054 T C 1.372 176.068 174.700 -0.006 0.000 0.982 1054 T CA -0.264 61.824 62.100 -0.020 0.000 1.132 1054 T CB 0.418 69.266 68.868 -0.032 0.000 1.226 1054 T HN -0.035 nan 8.240 nan 0.000 0.346 1055 L N 1.385 122.598 121.223 -0.015 0.000 2.700 1055 L HA 0.140 4.474 4.340 -0.009 0.000 0.240 1055 L C 1.585 178.469 176.870 0.023 0.000 1.162 1055 L CA 1.040 55.881 54.840 0.001 0.000 0.874 1055 L CB -0.444 41.610 42.059 -0.009 0.000 1.001 1055 L HN 0.282 nan 8.230 nan 0.000 0.447 1056 K N -1.399 119.014 120.400 0.022 0.000 2.572 1056 K HA 0.071 4.386 4.320 -0.009 0.000 0.234 1056 K C 1.961 178.615 176.600 0.090 0.000 1.374 1056 K CA 0.580 56.893 56.287 0.044 0.000 0.771 1056 K CB -0.259 32.229 32.500 -0.019 0.000 1.738 1056 K HN -0.126 nan 8.250 nan 0.000 0.388 1057 S N 0.557 116.286 115.700 0.048 0.000 2.453 1057 S HA -0.101 4.363 4.470 -0.009 0.000 0.231 1057 S C 0.996 175.660 174.600 0.106 0.000 1.005 1057 S CA 1.905 60.146 58.200 0.067 0.000 0.949 1057 S CB 0.032 63.255 63.200 0.037 0.000 0.774 1057 S HN 0.271 nan 8.310 nan 0.000 0.510 1058 D N -0.046 120.407 120.400 0.087 0.000 2.559 1058 D HA 0.164 4.798 4.640 -0.009 0.000 0.296 1058 D C -0.362 175.976 176.300 0.063 0.000 1.118 1058 D CA -0.048 54.002 54.000 0.084 0.000 0.967 1058 D CB -0.202 40.636 40.800 0.063 0.000 1.607 1058 D HN 0.197 nan 8.370 nan 0.000 0.493 1059 D N 1.235 121.656 120.400 0.035 0.000 2.419 1059 D HA -0.033 4.602 4.640 -0.009 0.000 0.281 1059 D C 1.709 178.006 176.300 -0.004 0.000 1.398 1059 D CA 0.250 54.257 54.000 0.012 0.000 1.047 1059 D CB -0.015 40.783 40.800 -0.003 0.000 1.115 1059 D HN 0.217 nan 8.370 nan 0.000 0.540 1060 I N 2.497 123.063 120.570 -0.006 0.000 2.053 1060 I HA -0.332 3.832 4.170 -0.009 0.000 0.236 1060 I C 2.293 178.382 176.117 -0.047 0.000 1.038 1060 I CA 1.434 62.710 61.300 -0.040 0.000 1.304 1060 I CB -0.240 37.751 38.000 -0.015 0.000 1.023 1060 I HN 0.570 nan 8.210 nan 0.000 0.395 1061 E N 0.722 120.909 120.200 -0.022 0.000 2.114 1061 E HA -0.234 4.110 4.350 -0.009 0.000 0.199 1061 E C 1.962 178.550 176.600 -0.020 0.000 1.008 1061 E CA 1.500 57.889 56.400 -0.018 0.000 0.810 1061 E CB -0.365 29.330 29.700 -0.008 0.000 0.739 1061 E HN 0.578 nan 8.360 nan 0.000 0.456 1062 G N 2.028 110.817 108.800 -0.018 0.000 2.955 1062 G HA2 -0.421 3.534 3.960 -0.009 0.000 0.210 1062 G HA3 -0.421 3.534 3.960 -0.009 0.000 0.210 1062 G C 1.356 176.254 174.900 -0.003 0.000 1.364 1062 G CA 2.022 47.116 45.100 -0.010 0.000 0.788 1062 G HN 0.438 nan 8.290 nan 0.000 0.715 1063 R N 0.473 120.972 120.500 -0.002 0.000 2.178 1063 R HA -0.238 4.097 4.340 -0.009 0.000 0.257 1063 R C 2.054 178.368 176.300 0.023 0.000 1.163 1063 R CA 1.975 58.085 56.100 0.017 0.000 0.981 1063 R CB -1.187 29.107 30.300 -0.009 0.000 0.878 1063 R HN 0.371 nan 8.270 nan 0.000 0.454 1064 N N 1.533 120.223 118.700 -0.017 0.000 2.013 1064 N HA -0.105 4.629 4.740 -0.009 0.000 0.195 1064 N C 1.835 177.371 175.510 0.043 0.000 1.051 1064 N CA 2.318 55.371 53.050 0.005 0.000 0.851 1064 N CB -0.554 37.918 38.487 -0.025 0.000 1.044 1064 N HN 0.449 nan 8.380 nan 0.000 0.422 1065 A N -0.078 122.754 122.820 0.019 0.000 2.168 1065 A HA 0.245 4.560 4.320 -0.009 0.000 0.215 1065 A C 2.100 179.693 177.584 0.015 0.000 1.152 1065 A CA 1.418 53.463 52.037 0.013 0.000 0.716 1065 A CB -0.580 18.418 19.000 -0.002 0.000 0.794 1065 A HN 0.341 nan 8.150 nan 0.000 0.465 1066 A N -0.769 122.071 122.820 0.033 0.000 1.840 1066 A HA 0.008 4.322 4.320 -0.009 0.000 0.214 1066 A C 2.058 179.674 177.584 0.053 0.000 1.198 1066 A CA 1.445 53.502 52.037 0.034 0.000 0.608 1066 A CB -1.000 18.026 19.000 0.044 0.000 0.839 1066 A HN 0.644 nan 8.150 nan 0.000 0.443 1067 Y N 0.802 121.094 120.300 -0.013 0.000 2.030 1067 Y HA -0.294 4.251 4.550 -0.009 0.000 0.274 1067 Y C 2.428 178.321 175.900 -0.013 0.000 1.153 1067 Y CA 2.551 60.646 58.100 -0.008 0.000 1.115 1067 Y CB -0.562 37.895 38.460 -0.005 0.000 0.969 1067 Y HN 0.511 nan 8.280 nan 0.000 0.488 1068 E N 0.487 120.639 120.200 -0.080 0.000 2.055 1068 E HA -0.375 3.970 4.350 -0.009 0.000 0.209 1068 E C 2.291 178.780 176.600 -0.185 0.000 1.036 1068 E CA 1.873 58.179 56.400 -0.156 0.000 0.849 1068 E CB -0.634 29.056 29.700 -0.017 0.000 0.767 1068 E HN 0.583 nan 8.360 nan 0.000 0.461 1069 A N 1.494 124.252 122.820 -0.104 0.000 1.896 1069 A HA -0.251 4.064 4.320 -0.009 0.000 0.220 1069 A C 2.408 179.915 177.584 -0.127 0.000 1.206 1069 A CA 2.284 54.266 52.037 -0.092 0.000 0.647 1069 A CB -1.056 17.909 19.000 -0.059 0.000 0.828 1069 A HN 0.457 nan 8.150 nan 0.000 0.455 1070 I N -0.237 120.243 120.570 -0.150 0.000 2.194 1070 I HA -0.301 3.864 4.170 -0.009 0.000 0.246 1070 I C 2.316 178.302 176.117 -0.219 0.000 1.093 1070 I CA 1.215 62.419 61.300 -0.161 0.000 1.355 1070 I CB -0.474 37.438 38.000 -0.145 0.000 1.046 1070 I HN 0.315 nan 8.210 nan 0.000 0.413 1071 I N 1.126 121.478 120.570 -0.362 0.000 2.076 1071 I HA -0.285 3.879 4.170 -0.009 0.000 0.237 1071 I C 2.333 178.344 176.117 -0.177 0.000 1.059 1071 I CA 1.860 62.962 61.300 -0.330 0.000 1.317 1071 I CB -1.183 36.561 38.000 -0.426 0.000 1.037 1071 I HN 0.260 nan 8.210 nan 0.000 0.398 1072 K N 0.496 120.808 120.400 -0.147 0.000 2.515 1072 K HA 0.027 4.341 4.320 -0.009 0.000 0.196 1072 K C 0.864 177.418 176.600 -0.076 0.000 1.038 1072 K CA 0.693 56.925 56.287 -0.093 0.000 0.967 1072 K CB -0.213 32.242 32.500 -0.076 0.000 0.780 1072 K HN 0.590 nan 8.250 nan 0.000 0.483 1073 G N 2.276 111.024 108.800 -0.085 0.000 2.414 1073 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.256 1073 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.256 1073 G C -0.561 174.305 174.900 -0.057 0.000 1.128 1073 G CA -0.061 44.999 45.100 -0.066 0.000 0.944 1073 G HN 0.349 nan 8.290 nan 0.000 0.500 1074 E N -0.297 119.867 120.200 -0.061 0.000 2.369 1074 E HA 0.447 4.791 4.350 -0.009 0.000 0.270 1074 E C -0.536 176.031 176.600 -0.054 0.000 0.909 1074 E CA -0.925 55.443 56.400 -0.052 0.000 0.775 1074 E CB 1.707 31.378 29.700 -0.049 0.000 1.270 1074 E HN 0.062 nan 8.360 nan 0.000 0.445 1075 D N 0.896 121.265 120.400 -0.052 0.000 2.341 1075 D HA -0.012 4.622 4.640 -0.009 0.000 0.235 1075 D C -0.238 176.028 176.300 -0.056 0.000 1.265 1075 D CA 0.099 54.065 54.000 -0.056 0.000 0.888 1075 D CB 0.849 41.611 40.800 -0.062 0.000 1.192 1075 D HN 0.217 nan 8.370 nan 0.000 0.462 1076 V N -0.091 119.788 119.914 -0.058 0.000 2.649 1076 V HA 0.502 4.616 4.120 -0.009 0.000 0.292 1076 V C -2.350 173.712 176.094 -0.052 0.000 1.055 1076 V CA -1.414 60.856 62.300 -0.050 0.000 1.023 1076 V CB 0.749 32.545 31.823 -0.044 0.000 0.992 1076 V HN 0.440 nan 8.190 nan 0.000 0.480 1077 P HA 0.229 nan 4.420 nan 0.000 0.267 1077 P C -0.240 177.035 177.300 -0.041 0.000 1.205 1077 P CA -0.025 63.052 63.100 -0.038 0.000 0.765 1077 P CB 0.274 31.957 31.700 -0.028 0.000 0.828 1078 E N 4.021 124.194 120.200 -0.045 0.000 2.437 1078 E HA 0.014 4.359 4.350 -0.009 0.000 0.263 1078 E C -1.883 174.696 176.600 -0.035 0.000 1.030 1078 E CA -1.164 55.210 56.400 -0.043 0.000 0.934 1078 E CB -0.428 29.249 29.700 -0.039 0.000 0.943 1078 E HN 0.375 nan 8.360 nan 0.000 0.444 1079 P HA -0.078 nan 4.420 nan 0.000 0.263 1079 P C -0.800 176.473 177.300 -0.046 0.000 1.175 1079 P CA 0.502 63.580 63.100 -0.036 0.000 0.761 1079 P CB 0.702 32.380 31.700 -0.037 0.000 0.794 1080 S N 0.951 116.626 115.700 -0.043 0.000 2.546 1080 S HA 0.289 4.754 4.470 -0.009 0.000 0.265 1080 S C 0.239 174.793 174.600 -0.077 0.000 1.190 1080 S CA -0.748 57.423 58.200 -0.049 0.000 1.014 1080 S CB 0.315 63.498 63.200 -0.029 0.000 1.087 1080 S HN 0.160 nan 8.310 nan 0.000 0.525 1081 V N 3.148 123.011 119.914 -0.086 0.000 2.649 1081 V HA 0.242 4.356 4.120 -0.009 0.000 0.292 1081 V C -2.362 173.692 176.094 -0.067 0.000 1.055 1081 V CA -1.604 60.616 62.300 -0.135 0.000 1.023 1081 V CB 0.449 32.184 31.823 -0.148 0.000 0.992 1081 V HN 0.587 nan 8.190 nan 0.000 0.480 1082 P HA 0.119 nan 4.420 nan 0.000 0.270 1082 P C 0.781 178.141 177.300 0.099 0.000 1.242 1082 P CA -0.038 63.072 63.100 0.017 0.000 0.768 1082 P CB 0.525 32.230 31.700 0.008 0.000 0.820 1083 E N 2.018 122.268 120.200 0.084 0.000 2.187 1083 E HA -0.202 4.143 4.350 -0.009 0.000 0.199 1083 E C 1.622 178.295 176.600 0.123 0.000 1.004 1083 E CA 1.946 58.409 56.400 0.104 0.000 0.813 1083 E CB -0.158 29.594 29.700 0.087 0.000 0.736 1083 E HN 0.510 nan 8.360 nan 0.000 0.468 1084 S N -0.124 115.649 115.700 0.123 0.000 2.383 1084 S HA -0.144 4.321 4.470 -0.009 0.000 0.227 1084 S C 1.958 176.648 174.600 0.149 0.000 1.026 1084 S CA 0.804 59.075 58.200 0.118 0.000 0.981 1084 S CB -0.703 62.562 63.200 0.108 0.000 0.818 1084 S HN 0.307 nan 8.310 nan 0.000 0.472 1085 F N 3.148 123.099 119.950 0.002 0.000 1.990 1085 F HA -0.056 4.465 4.527 -0.009 0.000 0.294 1085 F C 2.720 178.512 175.800 -0.014 0.000 1.177 1085 F CA 1.595 59.584 58.000 -0.019 0.000 1.167 1085 F CB -0.283 38.680 39.000 -0.061 0.000 0.971 1085 F HN -0.007 nan 8.300 nan 0.000 0.483 1086 R N 0.196 120.798 120.500 0.171 0.000 2.159 1086 R HA -0.247 4.088 4.340 -0.009 0.000 0.249 1086 R C 1.942 178.350 176.300 0.181 0.000 1.136 1086 R CA 2.197 58.338 56.100 0.067 0.000 0.951 1086 R CB -1.436 28.939 30.300 0.125 0.000 0.876 1086 R HN 0.310 nan 8.270 nan 0.000 0.440 1087 V N 1.555 121.554 119.914 0.141 0.000 2.568 1087 V HA -0.232 3.882 4.120 -0.009 0.000 0.253 1087 V C 2.237 178.363 176.094 0.053 0.000 1.072 1087 V CA 1.583 63.947 62.300 0.105 0.000 1.084 1087 V CB -0.504 31.367 31.823 0.080 0.000 0.676 1087 V HN 0.316 nan 8.190 nan 0.000 0.469 1088 L N -0.745 120.476 121.223 -0.002 0.000 2.034 1088 L HA -0.087 4.247 4.340 -0.009 0.000 0.203 1088 L C 2.460 179.281 176.870 -0.082 0.000 1.074 1088 L CA 1.260 56.063 54.840 -0.062 0.000 0.748 1088 L CB -0.160 41.824 42.059 -0.125 0.000 0.905 1088 L HN 0.106 nan 8.230 nan 0.000 0.439 1089 V N 0.466 120.287 119.914 -0.156 0.000 2.278 1089 V HA -0.349 3.765 4.120 -0.009 0.000 0.251 1089 V C 2.636 178.765 176.094 0.059 0.000 1.062 1089 V CA 1.844 64.106 62.300 -0.064 0.000 1.038 1089 V CB -0.641 31.192 31.823 0.016 0.000 0.646 1089 V HN 0.429 nan 8.190 nan 0.000 0.447 1090 K N -0.442 120.026 120.400 0.114 0.000 2.167 1090 K HA -0.082 4.233 4.320 -0.009 0.000 0.203 1090 K C 1.992 178.592 176.600 0.001 0.000 1.052 1090 K CA 0.898 57.197 56.287 0.021 0.000 0.956 1090 K CB -0.240 32.253 32.500 -0.012 0.000 0.735 1090 K HN 0.528 nan 8.250 nan 0.000 0.451 1091 E N 0.547 120.753 120.200 0.010 0.000 2.478 1091 E HA 0.011 4.356 4.350 -0.009 0.000 0.198 1091 E C 1.641 178.236 176.600 -0.008 0.000 1.046 1091 E CA 0.132 56.533 56.400 0.001 0.000 0.870 1091 E CB 0.181 29.885 29.700 0.007 0.000 0.818 1091 E HN 0.127 nan 8.360 nan 0.000 0.527 1092 L N -0.286 120.929 121.223 -0.014 0.000 2.316 1092 L HA 0.001 4.336 4.340 -0.009 0.000 0.207 1092 L C 1.889 178.750 176.870 -0.014 0.000 1.070 1092 L CA 0.387 55.215 54.840 -0.018 0.000 0.820 1092 L CB 0.133 42.171 42.059 -0.034 0.000 0.992 1092 L HN 0.100 nan 8.230 nan 0.000 0.466 1093 Q N -0.205 119.587 119.800 -0.014 0.000 2.364 1093 Q HA -0.128 4.207 4.340 -0.009 0.000 0.207 1093 Q C 2.130 178.119 176.000 -0.018 0.000 0.970 1093 Q CA 1.023 56.817 55.803 -0.016 0.000 0.888 1093 Q CB -0.100 28.623 28.738 -0.024 0.000 0.951 1093 Q HN 0.533 nan 8.270 nan 0.000 0.469 1094 A N 0.678 123.487 122.820 -0.017 0.000 2.084 1094 A HA -0.106 4.208 4.320 -0.009 0.000 0.221 1094 A C 0.907 178.484 177.584 -0.012 0.000 1.161 1094 A CA 0.968 52.996 52.037 -0.015 0.000 0.653 1094 A CB -0.274 18.719 19.000 -0.012 0.000 0.802 1094 A HN 0.210 nan 8.150 nan 0.000 0.457 1095 L N -3.092 118.125 121.223 -0.010 0.000 2.334 1095 L HA 0.593 4.928 4.340 -0.009 0.000 0.272 1095 L C 1.708 178.573 176.870 -0.008 0.000 1.020 1095 L CA -0.089 54.747 54.840 -0.007 0.000 0.812 1095 L CB 1.000 43.055 42.059 -0.006 0.000 1.264 1095 L HN 0.159 nan 8.230 nan 0.000 0.439 1096 A N 2.186 125.003 122.820 -0.006 0.000 1.916 1096 A HA -0.181 4.133 4.320 -0.009 0.000 0.224 1096 A C 1.187 178.768 177.584 -0.005 0.000 1.366 1096 A CA 1.435 53.469 52.037 -0.005 0.000 0.692 1096 A CB -0.867 18.131 19.000 -0.003 0.000 0.841 1096 A HN 0.562 nan 8.150 nan 0.000 0.480 1097 L N -1.014 120.206 121.223 -0.004 0.000 2.594 1097 L HA -0.104 4.231 4.340 -0.009 0.000 0.323 1097 L C 0.047 176.916 176.870 -0.002 0.000 1.306 1097 L CA 1.797 56.636 54.840 -0.002 0.000 0.841 1097 L CB -0.507 41.550 42.059 -0.004 0.000 1.055 1097 L HN 0.733 nan 8.230 nan 0.000 0.565 1098 D N 0.297 120.698 120.400 0.002 0.000 2.375 1098 D HA 0.315 4.950 4.640 -0.009 0.000 0.241 1098 D C -0.639 175.668 176.300 0.011 0.000 1.361 1098 D CA -0.478 53.526 54.000 0.007 0.000 0.995 1098 D CB 1.134 41.939 40.800 0.010 0.000 1.312 1098 D HN 0.211 nan 8.370 nan 0.000 0.576 1099 V N 1.968 121.888 119.914 0.010 0.000 2.299 1099 V HA 0.544 4.659 4.120 -0.009 0.000 0.255 1099 V C 0.171 176.285 176.094 0.032 0.000 1.100 1099 V CA -0.665 61.639 62.300 0.007 0.000 0.938 1099 V CB 0.384 32.187 31.823 -0.033 0.000 1.139 1099 V HN 0.478 nan 8.190 nan 0.000 0.490 1100 Q N 3.692 123.518 119.800 0.043 0.000 2.221 1100 Q HA 0.640 4.975 4.340 -0.009 0.000 0.242 1100 Q C 0.253 176.296 176.000 0.070 0.000 0.940 1100 Q CA -0.024 55.817 55.803 0.063 0.000 0.896 1100 Q CB 1.716 30.486 28.738 0.053 0.000 1.226 1100 Q HN 1.026 nan 8.270 nan 0.000 0.463 1101 T N 1.236 115.842 114.554 0.086 0.000 2.797 1101 T HA 0.680 5.025 4.350 -0.009 0.000 0.279 1101 T C -0.910 173.828 174.700 0.063 0.000 0.991 1101 T CA -0.701 61.453 62.100 0.090 0.000 0.979 1101 T CB 0.560 69.503 68.868 0.124 0.000 0.943 1101 T HN 0.348 nan 8.240 nan 0.000 0.444 1102 L N 3.083 124.336 121.223 0.050 0.000 2.322 1102 L HA 0.629 4.964 4.340 -0.009 0.000 0.269 1102 L C 0.685 177.571 176.870 0.028 0.000 1.012 1102 L CA -0.598 54.264 54.840 0.037 0.000 0.815 1102 L CB 1.669 43.747 42.059 0.032 0.000 1.295 1102 L HN 0.746 nan 8.230 nan 0.000 0.438 1103 D N -0.327 120.086 120.400 0.022 0.000 2.406 1103 D HA 0.103 4.738 4.640 -0.009 0.000 0.288 1103 D C 0.903 177.211 176.300 0.014 0.000 1.186 1103 D CA -0.180 53.830 54.000 0.016 0.000 1.098 1103 D CB 0.667 41.475 40.800 0.014 0.000 1.160 1103 D HN 0.469 nan 8.370 nan 0.000 0.561 1104 E N 0.526 120.732 120.200 0.011 0.000 2.005 1104 E HA -0.060 4.284 4.350 -0.009 0.000 0.198 1104 E C 0.254 176.861 176.600 0.011 0.000 1.010 1104 E CA 1.323 57.729 56.400 0.009 0.000 0.825 1104 E CB -0.236 29.469 29.700 0.008 0.000 0.769 1104 E HN 0.219 nan 8.360 nan 0.000 0.456 1105 K N 1.883 122.289 120.400 0.011 0.000 2.298 1105 K HA 0.049 4.364 4.320 -0.009 0.000 0.280 1105 K C -0.611 175.997 176.600 0.014 0.000 1.032 1105 K CA -0.228 56.066 56.287 0.012 0.000 0.958 1105 K CB 0.440 32.947 32.500 0.011 0.000 0.978 1105 K HN 0.011 nan 8.250 nan 0.000 0.472 1106 D N 2.926 123.335 120.400 0.015 0.000 2.773 1106 D HA -0.055 4.580 4.640 -0.009 0.000 0.225 1106 D C -0.550 175.761 176.300 0.019 0.000 1.065 1106 D CA 0.848 54.859 54.000 0.017 0.000 1.308 1106 D CB -0.532 40.278 40.800 0.016 0.000 1.144 1106 D HN 0.272 nan 8.370 nan 0.000 0.462 1107 N N 0.863 119.575 118.700 0.020 0.000 2.225 1107 N HA 0.301 5.036 4.740 -0.009 0.000 0.298 1107 N C -2.580 172.945 175.510 0.026 0.000 1.076 1107 N CA -1.520 51.542 53.050 0.021 0.000 0.792 1107 N CB 2.105 40.603 38.487 0.018 0.000 1.498 1107 N HN -0.156 nan 8.380 nan 0.000 0.474 1108 P HA -0.082 nan 4.420 nan 0.000 0.271 1108 P C -0.745 176.578 177.300 0.038 0.000 1.197 1108 P CA 0.245 63.369 63.100 0.039 0.000 0.777 1108 P CB 0.599 32.324 31.700 0.041 0.000 0.827 1109 V N 1.449 121.390 119.914 0.046 0.000 2.777 1109 V HA 0.222 4.337 4.120 -0.009 0.000 0.306 1109 V C -0.604 175.524 176.094 0.057 0.000 1.112 1109 V CA -0.450 61.874 62.300 0.040 0.000 0.917 1109 V CB 2.173 34.014 31.823 0.031 0.000 1.018 1109 V HN 0.379 nan 8.190 nan 0.000 0.426 1110 D N 3.562 123.995 120.400 0.056 0.000 2.456 1110 D HA 0.370 5.005 4.640 -0.009 0.000 0.219 1110 D C 1.237 177.577 176.300 0.066 0.000 1.126 1110 D CA -0.261 53.790 54.000 0.085 0.000 0.890 1110 D CB 1.022 41.874 40.800 0.088 0.000 1.025 1110 D HN 0.577 nan 8.370 nan 0.000 0.511 1111 I N -0.326 120.269 120.570 0.042 0.000 2.113 1111 I HA -0.069 4.096 4.170 -0.009 0.000 0.238 1111 I C 0.644 176.708 176.117 -0.088 0.000 1.070 1111 I CA 0.788 62.041 61.300 -0.078 0.000 1.332 1111 I CB -0.552 37.352 38.000 -0.160 0.000 1.044 1111 I HN 0.011 nan 8.210 nan 0.000 0.402 1112 F N 4.317 124.316 119.950 0.082 0.000 2.541 1112 F HA 0.154 4.676 4.527 -0.009 0.000 0.347 1112 F C 0.763 176.587 175.800 0.040 0.000 1.242 1112 F CA -0.816 57.219 58.000 0.059 0.000 1.123 1112 F CB -0.720 38.308 39.000 0.047 0.000 1.354 1112 F HN 0.220 nan 8.300 nan 0.000 0.621 1113 E N 1.643 121.940 120.200 0.161 0.000 2.463 1113 E HA 0.274 4.619 4.350 -0.009 0.000 0.248 1113 E C 1.224 177.882 176.600 0.097 0.000 1.106 1113 E CA 0.464 56.928 56.400 0.107 0.000 0.946 1113 E CB 0.198 29.933 29.700 0.060 0.000 0.971 1113 E HN 0.861 nan 8.360 nan 0.000 0.478 1114 G N 3.662 112.515 108.800 0.087 0.000 3.329 1114 G HA2 -0.448 3.506 3.960 -0.009 0.000 0.220 1114 G HA3 -0.448 3.506 3.960 -0.009 0.000 0.220 1114 G C 0.869 175.800 174.900 0.052 0.000 1.358 1114 G CA 0.214 45.350 45.100 0.060 0.000 0.856 1114 G HN 0.474 nan 8.290 nan 0.000 0.551 1115 L N 1.360 122.618 121.223 0.059 0.000 2.082 1115 L HA -0.036 4.298 4.340 -0.009 0.000 0.223 1115 L C 3.244 180.105 176.870 -0.014 0.000 1.086 1115 L CA 3.324 58.180 54.840 0.027 0.000 0.793 1115 L CB -0.965 41.119 42.059 0.042 0.000 0.896 1115 L HN 0.862 nan 8.230 nan 0.000 0.441 1116 A N -1.309 121.502 122.820 -0.015 0.000 2.239 1116 A HA 0.065 4.379 4.320 -0.009 0.000 0.209 1116 A C 1.296 178.865 177.584 -0.024 0.000 1.171 1116 A CA 0.310 52.309 52.037 -0.063 0.000 0.768 1116 A CB -0.552 18.401 19.000 -0.079 0.000 0.790 1116 A HN 0.376 nan 8.150 nan 0.000 0.478 1117 S N 1.182 116.882 115.700 0.001 0.000 2.549 1117 S HA 0.305 4.769 4.470 -0.009 0.000 0.279 1117 S C 0.229 174.825 174.600 -0.007 0.000 1.321 1117 S CA -0.510 57.693 58.200 0.004 0.000 1.054 1117 S CB 0.703 63.912 63.200 0.014 0.000 0.899 1117 S HN 0.622 nan 8.310 nan 0.000 0.497 1118 K N 3.541 123.936 120.400 -0.008 0.000 2.368 1118 K HA 0.340 4.654 4.320 -0.009 0.000 0.282 1118 K C 0.030 176.626 176.600 -0.008 0.000 1.035 1118 K CA -0.613 55.667 56.287 -0.012 0.000 0.973 1118 K CB 0.430 32.922 32.500 -0.012 0.000 0.957 1118 K HN 0.392 nan 8.250 nan 0.000 0.474 1119 R N 0.000 120.494 120.500 -0.010 0.000 2.786 1119 R HA 0.000 4.335 4.340 -0.009 0.000 0.208 1119 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 1119 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535