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 1iw7_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 0.000 176.265 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.258 55.300 -0.071 0.000 0.988 1 M CB 0.000 32.548 32.600 -0.087 0.000 1.302 2 E N 2.680 122.844 120.200 -0.060 0.000 2.221 2 E HA 0.611 4.956 4.350 -0.009 0.000 0.268 2 E C -1.175 175.391 176.600 -0.056 0.000 0.933 2 E CA -0.868 55.509 56.400 -0.039 0.000 0.809 2 E CB 2.618 32.310 29.700 -0.014 0.000 1.190 2 E HN 0.381 nan 8.360 nan 0.000 0.406 3 I N 2.630 123.187 120.570 -0.022 0.000 2.390 3 I HA 0.242 4.407 4.170 -0.009 0.000 0.283 3 I C 0.026 176.137 176.117 -0.009 0.000 1.016 3 I CA -0.436 60.855 61.300 -0.015 0.000 1.151 3 I CB 0.976 38.993 38.000 0.029 0.000 1.293 3 I HN 0.265 nan 8.210 nan 0.000 0.458 4 K N 7.207 127.616 120.400 0.015 0.000 2.138 4 K HA 0.712 5.027 4.320 -0.009 0.000 0.263 4 K C -0.463 175.987 176.600 -0.249 0.000 0.965 4 K CA -0.598 55.649 56.287 -0.066 0.000 0.868 4 K CB 1.890 34.403 32.500 0.021 0.000 1.083 4 K HN 0.673 nan 8.250 nan 0.000 0.443 5 R N 1.431 121.673 120.500 -0.431 0.000 2.836 5 R HA 0.567 4.901 4.340 -0.009 0.000 0.269 5 R C -1.097 174.818 176.300 -0.643 0.000 1.010 5 R CA -0.787 55.026 56.100 -0.479 0.000 0.930 5 R CB 0.775 30.988 30.300 -0.144 0.000 1.218 5 R HN 0.238 nan 8.270 nan 0.000 0.473 6 F N -0.586 119.409 119.950 0.075 0.000 2.740 6 F HA 0.818 5.340 4.527 -0.009 0.000 0.357 6 F C 0.517 176.356 175.800 0.065 0.000 1.141 6 F CA -0.756 57.285 58.000 0.068 0.000 1.044 6 F CB 1.244 40.288 39.000 0.072 0.000 1.430 6 F HN 0.863 nan 8.300 nan 0.000 0.518 7 G N 1.259 110.257 108.800 0.330 0.000 3.138 7 G HA2 -0.119 3.836 3.960 -0.009 0.000 0.685 7 G HA3 -0.119 3.836 3.960 -0.009 0.000 0.685 7 G C -1.018 173.966 174.900 0.140 0.000 0.995 7 G CA -0.826 44.396 45.100 0.203 0.000 0.849 7 G HN 0.804 nan 8.290 nan 0.000 0.537 8 R N 1.467 122.033 120.500 0.110 0.000 2.576 8 R HA 0.472 4.806 4.340 -0.009 0.000 0.283 8 R C 0.423 176.762 176.300 0.065 0.000 1.493 8 R CA -0.712 55.437 56.100 0.081 0.000 1.170 8 R CB 0.612 30.954 30.300 0.070 0.000 1.189 8 R HN 0.839 nan 8.270 nan 0.000 0.542 9 I N -0.074 120.533 120.570 0.062 0.000 2.355 9 I HA 0.549 4.714 4.170 -0.009 0.000 0.288 9 I C -0.121 176.017 176.117 0.034 0.000 0.999 9 I CA -1.115 60.211 61.300 0.044 0.000 1.163 9 I CB 1.345 39.373 38.000 0.046 0.000 1.316 9 I HN 0.074 nan 8.210 nan 0.000 0.454 10 R N 5.074 125.587 120.500 0.023 0.000 2.457 10 R HA 0.084 4.418 4.340 -0.009 0.000 0.335 10 R C -0.258 176.051 176.300 0.015 0.000 1.003 10 R CA 0.128 56.240 56.100 0.020 0.000 1.003 10 R CB -0.352 29.956 30.300 0.013 0.000 0.950 10 R HN 0.683 nan 8.270 nan 0.000 0.428 11 E N 2.288 122.505 120.200 0.028 0.000 2.026 11 E HA -0.086 4.259 4.350 -0.009 0.000 0.249 11 E C 1.119 177.741 176.600 0.036 0.000 1.273 11 E CA -0.094 56.330 56.400 0.040 0.000 0.991 11 E CB 0.363 30.099 29.700 0.060 0.000 1.076 11 E HN 0.291 nan 8.360 nan 0.000 0.438 12 V N 4.739 124.662 119.914 0.016 0.000 2.427 12 V HA -0.099 4.016 4.120 -0.009 0.000 0.248 12 V C 0.732 176.848 176.094 0.037 0.000 1.051 12 V CA 1.536 63.842 62.300 0.010 0.000 1.048 12 V CB -0.099 31.709 31.823 -0.024 0.000 0.666 12 V HN 0.540 nan 8.190 nan 0.000 0.456 13 I N -2.582 118.039 120.570 0.085 0.000 2.619 13 I HA 0.633 4.797 4.170 -0.009 0.000 0.292 13 I C -2.848 173.387 176.117 0.197 0.000 1.100 13 I CA -2.476 58.903 61.300 0.132 0.000 1.043 13 I CB 1.650 39.740 38.000 0.151 0.000 1.239 13 I HN -0.106 nan 8.210 nan 0.000 0.420 14 P HA 0.154 nan 4.420 nan 0.000 0.270 14 P C -0.372 176.886 177.300 -0.070 0.000 1.223 14 P CA -0.363 62.749 63.100 0.020 0.000 0.785 14 P CB 0.352 32.043 31.700 -0.014 0.000 0.923 15 L N 1.855 122.925 121.223 -0.255 0.000 2.473 15 L HA 0.212 4.547 4.340 -0.009 0.000 0.265 15 L C -1.828 174.879 176.870 -0.272 0.000 1.243 15 L CA -1.047 53.475 54.840 -0.529 0.000 0.822 15 L CB -1.455 40.325 42.059 -0.465 0.000 1.101 15 L HN 0.312 nan 8.230 nan 0.000 0.507 16 P HA 0.374 nan 4.420 nan 0.000 0.306 16 P C -2.601 174.624 177.300 -0.125 0.000 1.309 16 P CA -1.609 61.411 63.100 -0.133 0.000 0.759 16 P CB -0.192 31.445 31.700 -0.105 0.000 1.314 17 P HA 0.117 nan 4.420 nan 0.000 0.271 17 P C 0.317 177.565 177.300 -0.088 0.000 1.233 17 P CA 0.195 63.242 63.100 -0.088 0.000 0.764 17 P CB 0.102 31.759 31.700 -0.072 0.000 0.825 18 L N 2.628 123.798 121.223 -0.088 0.000 2.353 18 L HA -0.100 4.235 4.340 -0.009 0.000 0.220 18 L C 1.642 178.473 176.870 -0.066 0.000 1.133 18 L CA 1.931 56.723 54.840 -0.080 0.000 0.798 18 L CB -0.817 41.197 42.059 -0.075 0.000 0.922 18 L HN 0.360 nan 8.230 nan 0.000 0.445 19 T N -1.892 112.625 114.554 -0.061 0.000 3.085 19 T HA -0.011 4.333 4.350 -0.009 0.000 0.264 19 T C 1.615 176.283 174.700 -0.054 0.000 1.019 19 T CA -0.135 61.931 62.100 -0.057 0.000 0.910 19 T CB 0.164 69.001 68.868 -0.051 0.000 1.059 19 T HN 0.283 nan 8.240 nan 0.000 0.542 20 E N 2.060 122.226 120.200 -0.056 0.000 2.164 20 E HA -0.244 4.100 4.350 -0.009 0.000 0.206 20 E C 1.656 178.229 176.600 -0.044 0.000 1.032 20 E CA 1.651 58.020 56.400 -0.052 0.000 0.832 20 E CB -0.317 29.341 29.700 -0.070 0.000 0.742 20 E HN 0.504 nan 8.360 nan 0.000 0.460 21 I N 1.551 122.090 120.570 -0.051 0.000 2.091 21 I HA -0.345 3.819 4.170 -0.009 0.000 0.239 21 I C 2.912 179.005 176.117 -0.041 0.000 1.061 21 I CA 1.867 63.139 61.300 -0.046 0.000 1.317 21 I CB -0.591 37.378 38.000 -0.053 0.000 1.031 21 I HN 0.118 nan 8.210 nan 0.000 0.401 22 Q N 0.118 119.881 119.800 -0.062 0.000 2.049 22 Q HA -0.077 4.258 4.340 -0.009 0.000 0.198 22 Q C 2.585 178.575 176.000 -0.016 0.000 0.971 22 Q CA 1.474 57.228 55.803 -0.082 0.000 0.833 22 Q CB -0.627 28.022 28.738 -0.148 0.000 0.896 22 Q HN 0.431 nan 8.270 nan 0.000 0.434 23 V N 1.972 121.884 119.914 -0.003 0.000 2.214 23 V HA -0.243 3.871 4.120 -0.009 0.000 0.245 23 V C 2.347 178.484 176.094 0.073 0.000 1.047 23 V CA 1.911 64.239 62.300 0.047 0.000 0.998 23 V CB -0.636 31.199 31.823 0.019 0.000 0.633 23 V HN 0.295 nan 8.190 nan 0.000 0.446 24 E N 0.059 120.279 120.200 0.033 0.000 2.085 24 E HA -0.224 4.121 4.350 -0.009 0.000 0.194 24 E C 2.489 179.123 176.600 0.056 0.000 0.994 24 E CA 1.716 58.134 56.400 0.030 0.000 0.801 24 E CB -0.598 29.100 29.700 -0.003 0.000 0.743 24 E HN 0.533 nan 8.360 nan 0.000 0.453 25 S N -0.158 115.581 115.700 0.065 0.000 2.365 25 S HA -0.201 4.263 4.470 -0.009 0.000 0.225 25 S C 1.828 176.546 174.600 0.195 0.000 1.039 25 S CA 0.965 59.221 58.200 0.095 0.000 1.033 25 S CB -0.295 62.952 63.200 0.077 0.000 0.887 25 S HN 0.274 nan 8.310 nan 0.000 0.447 26 Y N 2.162 122.482 120.300 0.034 0.000 2.616 26 Y HA 0.198 4.743 4.550 -0.009 0.000 0.296 26 Y C 2.336 178.255 175.900 0.031 0.000 1.154 26 Y CA 0.454 58.591 58.100 0.062 0.000 1.325 26 Y CB -0.310 38.237 38.460 0.144 0.000 1.007 26 Y HN 0.254 nan 8.280 nan 0.000 0.542 27 R N -0.111 120.448 120.500 0.099 0.000 2.052 27 R HA -0.051 4.283 4.340 -0.009 0.000 0.224 27 R C 2.189 178.480 176.300 -0.015 0.000 1.149 27 R CA 0.914 57.025 56.100 0.017 0.000 0.962 27 R CB -0.002 30.315 30.300 0.029 0.000 0.856 27 R HN 0.172 nan 8.270 nan 0.000 0.433 28 R N 0.403 120.905 120.500 0.003 0.000 2.120 28 R HA -0.055 4.280 4.340 -0.009 0.000 0.234 28 R C 2.285 178.561 176.300 -0.041 0.000 1.123 28 R CA 1.214 57.309 56.100 -0.010 0.000 0.975 28 R CB -0.357 29.941 30.300 -0.004 0.000 0.866 28 R HN 0.260 nan 8.270 nan 0.000 0.446 29 A N 2.145 124.936 122.820 -0.048 0.000 1.836 29 A HA -0.143 4.171 4.320 -0.009 0.000 0.215 29 A C 1.207 178.671 177.584 -0.201 0.000 1.214 29 A CA 1.314 53.284 52.037 -0.111 0.000 0.636 29 A CB -0.788 18.186 19.000 -0.044 0.000 0.847 29 A HN 0.315 nan 8.150 nan 0.000 0.451 30 L N -2.457 118.589 121.223 -0.296 0.000 2.352 30 L HA 0.405 4.739 4.340 -0.009 0.000 0.272 30 L C 0.062 176.868 176.870 -0.105 0.000 1.109 30 L CA -0.186 54.495 54.840 -0.265 0.000 0.952 30 L CB 0.623 42.406 42.059 -0.460 0.000 1.314 30 L HN 0.285 nan 8.230 nan 0.000 0.427 31 Q N 2.238 122.066 119.800 0.047 0.000 3.025 31 Q HA 0.102 4.437 4.340 -0.009 0.000 0.251 31 Q C 0.966 177.014 176.000 0.080 0.000 1.348 31 Q CA 0.527 56.395 55.803 0.110 0.000 0.906 31 Q CB 0.698 29.561 28.738 0.208 0.000 1.764 31 Q HN 1.000 nan 8.270 nan 0.000 0.535 32 A N 1.481 124.265 122.820 -0.060 0.000 1.881 32 A HA -0.108 4.207 4.320 -0.009 0.000 0.210 32 A C 1.625 179.120 177.584 -0.147 0.000 1.239 32 A CA 1.004 52.939 52.037 -0.170 0.000 0.629 32 A CB -0.196 18.705 19.000 -0.166 0.000 0.906 32 A HN 0.593 nan 8.150 nan 0.000 0.460 33 D N -0.280 120.066 120.400 -0.090 0.000 2.315 33 D HA -0.085 4.550 4.640 -0.009 0.000 0.211 33 D C 0.568 176.833 176.300 -0.059 0.000 0.977 33 D CA 1.252 55.213 54.000 -0.065 0.000 0.894 33 D CB -0.205 40.573 40.800 -0.037 0.000 0.910 33 D HN 0.325 nan 8.370 nan 0.000 0.490 34 V N -2.939 116.940 119.914 -0.058 0.000 2.581 34 V HA 0.589 4.703 4.120 -0.009 0.000 0.303 34 V C -2.397 173.660 176.094 -0.061 0.000 1.041 34 V CA -2.316 59.962 62.300 -0.037 0.000 0.907 34 V CB 1.315 33.138 31.823 -0.000 0.000 0.994 34 V HN -0.182 nan 8.190 nan 0.000 0.442 35 P HA 0.228 nan 4.420 nan 0.000 0.269 35 P C -2.248 175.054 177.300 0.004 0.000 1.217 35 P CA -1.061 62.013 63.100 -0.044 0.000 0.783 35 P CB -0.158 31.529 31.700 -0.021 0.000 0.898 36 P HA -0.156 nan 4.420 nan 0.000 0.225 36 P C 1.294 178.661 177.300 0.112 0.000 1.148 36 P CA 1.083 64.281 63.100 0.163 0.000 0.779 36 P CB 0.129 31.912 31.700 0.138 0.000 0.780 37 E N 0.192 120.423 120.200 0.051 0.000 2.031 37 E HA -0.120 4.225 4.350 -0.009 0.000 0.193 37 E C 0.496 177.124 176.600 0.046 0.000 0.994 37 E CA 0.952 57.372 56.400 0.034 0.000 0.800 37 E CB -0.475 29.233 29.700 0.014 0.000 0.752 37 E HN -0.040 nan 8.360 nan 0.000 0.447 38 K N 0.834 121.263 120.400 0.048 0.000 2.569 38 K HA -0.144 4.171 4.320 -0.009 0.000 0.280 38 K C 0.930 177.570 176.600 0.067 0.000 0.984 38 K CA 0.441 56.758 56.287 0.049 0.000 1.064 38 K CB 0.277 32.805 32.500 0.046 0.000 0.866 38 K HN 0.085 nan 8.250 nan 0.000 0.492 39 R N 2.036 122.566 120.500 0.051 0.000 2.193 39 R HA -0.058 4.276 4.340 -0.009 0.000 0.213 39 R C -0.039 176.293 176.300 0.053 0.000 1.055 39 R CA 0.762 56.892 56.100 0.050 0.000 0.995 39 R CB 0.254 30.576 30.300 0.037 0.000 0.893 39 R HN 0.580 nan 8.270 nan 0.000 0.459 40 E N 1.155 121.386 120.200 0.052 0.000 2.341 40 E HA -0.076 4.268 4.350 -0.009 0.000 0.256 40 E C -0.312 176.319 176.600 0.051 0.000 1.125 40 E CA 0.294 56.720 56.400 0.043 0.000 0.939 40 E CB 0.157 29.878 29.700 0.035 0.000 0.991 40 E HN 0.551 nan 8.360 nan 0.000 0.458 41 N N 1.191 119.911 118.700 0.033 0.000 2.214 41 N HA 0.061 4.795 4.740 -0.009 0.000 0.214 41 N C 0.045 175.541 175.510 -0.023 0.000 1.132 41 N CA -0.357 52.703 53.050 0.017 0.000 0.856 41 N CB 0.567 39.076 38.487 0.038 0.000 1.020 41 N HN 0.024 nan 8.380 nan 0.000 0.509 42 V N 0.418 120.312 119.914 -0.033 0.000 3.573 42 V HA 0.465 4.579 4.120 -0.009 0.000 0.292 42 V C 1.569 177.584 176.094 -0.132 0.000 1.053 42 V CA 0.316 62.570 62.300 -0.076 0.000 1.057 42 V CB 0.297 32.083 31.823 -0.061 0.000 1.218 42 V HN 0.529 nan 8.190 nan 0.000 0.449 43 G N -0.003 108.674 108.800 -0.205 0.000 2.552 43 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.265 43 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.265 43 G C 0.413 175.173 174.900 -0.232 0.000 1.234 43 G CA 0.374 45.335 45.100 -0.232 0.000 0.944 43 G HN 0.670 nan 8.290 nan 0.000 0.568 44 I N 0.590 120.965 120.570 -0.326 0.000 2.093 44 I HA -0.300 3.864 4.170 -0.009 0.000 0.239 44 I C 2.979 178.911 176.117 -0.307 0.000 1.026 44 I CA 3.032 64.071 61.300 -0.434 0.000 1.295 44 I CB -0.561 37.077 38.000 -0.604 0.000 1.007 44 I HN 0.692 nan 8.210 nan 0.000 0.401 45 Q N -0.118 119.426 119.800 -0.427 0.000 2.135 45 Q HA -0.263 4.071 4.340 -0.009 0.000 0.204 45 Q C 2.259 178.209 176.000 -0.083 0.000 0.981 45 Q CA 2.068 57.620 55.803 -0.420 0.000 0.856 45 Q CB -0.139 28.207 28.738 -0.654 0.000 0.902 45 Q HN 0.616 nan 8.270 nan 0.000 0.425 46 A N 0.611 123.375 122.820 -0.093 0.000 1.873 46 A HA -0.064 4.250 4.320 -0.009 0.000 0.215 46 A C 2.264 179.837 177.584 -0.019 0.000 1.186 46 A CA 1.589 53.603 52.037 -0.037 0.000 0.616 46 A CB -0.903 18.047 19.000 -0.084 0.000 0.823 46 A HN 0.511 nan 8.150 nan 0.000 0.442 47 A N -1.607 121.187 122.820 -0.043 0.000 2.019 47 A HA -0.018 4.296 4.320 -0.009 0.000 0.219 47 A C 1.942 179.511 177.584 -0.024 0.000 1.164 47 A CA 1.481 53.501 52.037 -0.030 0.000 0.644 47 A CB -0.614 18.416 19.000 0.049 0.000 0.805 47 A HN 0.448 nan 8.150 nan 0.000 0.449 48 F N 0.091 119.907 119.950 -0.222 0.000 2.128 48 F HA 0.001 4.522 4.527 -0.009 0.000 0.295 48 F C 2.325 177.971 175.800 -0.257 0.000 1.100 48 F CA 1.276 59.013 58.000 -0.438 0.000 1.260 48 F CB -0.650 38.017 39.000 -0.556 0.000 1.009 48 F HN 0.299 nan 8.300 nan 0.000 0.476 49 R N 0.879 121.457 120.500 0.131 0.000 2.092 49 R HA -0.163 4.171 4.340 -0.009 0.000 0.231 49 R C 2.099 178.461 176.300 0.103 0.000 1.119 49 R CA 1.733 57.959 56.100 0.210 0.000 0.970 49 R CB -0.652 29.771 30.300 0.206 0.000 0.864 49 R HN 0.363 nan 8.270 nan 0.000 0.440 50 E N -0.954 119.267 120.200 0.035 0.000 2.077 50 E HA -0.139 4.205 4.350 -0.009 0.000 0.193 50 E C 0.275 176.850 176.600 -0.042 0.000 0.989 50 E CA 1.743 58.141 56.400 -0.004 0.000 0.800 50 E CB 0.125 29.817 29.700 -0.013 0.000 0.746 50 E HN 0.416 nan 8.360 nan 0.000 0.452 51 T N -0.293 114.199 114.554 -0.103 0.000 3.085 51 T HA 0.130 4.474 4.350 -0.009 0.000 0.264 51 T C 0.614 175.220 174.700 -0.157 0.000 1.019 51 T CA -0.416 61.590 62.100 -0.157 0.000 0.910 51 T CB 0.033 68.752 68.868 -0.247 0.000 1.059 51 T HN 0.052 nan 8.240 nan 0.000 0.542 52 F N 2.070 121.957 119.950 -0.105 0.000 2.262 52 F HA 0.269 4.790 4.527 -0.009 0.000 0.292 52 F C -1.735 174.018 175.800 -0.079 0.000 1.081 52 F CA -0.806 57.115 58.000 -0.132 0.000 1.355 52 F CB -0.957 37.934 39.000 -0.181 0.000 1.069 52 F HN -0.042 nan 8.300 nan 0.000 0.506 53 P HA 0.025 nan 4.420 nan 0.000 0.266 53 P C -0.248 177.071 177.300 0.031 0.000 1.419 53 P CA 0.281 63.423 63.100 0.070 0.000 1.112 53 P CB -0.004 31.715 31.700 0.031 0.000 1.438 54 I N 2.670 123.263 120.570 0.039 0.000 2.270 54 I HA 0.060 4.225 4.170 -0.009 0.000 0.300 54 I C 0.398 176.513 176.117 -0.005 0.000 1.186 54 I CA -0.163 61.143 61.300 0.011 0.000 1.431 54 I CB -0.632 37.380 38.000 0.021 0.000 1.485 54 I HN 0.107 nan 8.210 nan 0.000 0.650 55 E N 6.486 126.675 120.200 -0.018 0.000 1.944 55 E HA 0.066 4.410 4.350 -0.009 0.000 0.272 55 E C -0.858 175.735 176.600 -0.011 0.000 1.195 55 E CA 0.061 56.451 56.400 -0.017 0.000 0.926 55 E CB 0.244 29.924 29.700 -0.032 0.000 1.051 55 E HN 0.460 nan 8.360 nan 0.000 0.404 56 E N 3.586 123.786 120.200 -0.000 0.000 2.114 56 E HA 0.132 4.477 4.350 -0.009 0.000 0.266 56 E C -0.042 176.568 176.600 0.017 0.000 0.896 56 E CA -0.209 56.195 56.400 0.007 0.000 0.750 56 E CB 1.630 31.334 29.700 0.008 0.000 1.121 56 E HN 0.607 nan 8.360 nan 0.000 0.413 57 E N 1.925 122.139 120.200 0.023 0.000 2.288 57 E HA 0.072 4.416 4.350 -0.009 0.000 0.200 57 E C -0.511 176.106 176.600 0.029 0.000 0.880 57 E CA 0.247 56.663 56.400 0.028 0.000 0.971 57 E CB 0.691 30.412 29.700 0.034 0.000 0.954 57 E HN 0.308 nan 8.360 nan 0.000 0.489 58 D N -0.537 119.881 120.400 0.030 0.000 2.804 58 D HA 0.211 4.845 4.640 -0.009 0.000 0.209 58 D C -0.907 175.410 176.300 0.027 0.000 1.314 58 D CA -0.152 53.865 54.000 0.028 0.000 0.894 58 D CB 1.547 42.365 40.800 0.030 0.000 1.615 58 D HN -0.067 nan 8.370 nan 0.000 0.571 59 K N 0.634 121.049 120.400 0.024 0.000 2.769 59 K HA 0.312 4.627 4.320 -0.009 0.000 0.155 59 K C 0.483 177.094 176.600 0.019 0.000 1.162 59 K CA 0.027 56.327 56.287 0.022 0.000 1.149 59 K CB 1.794 34.308 32.500 0.023 0.000 0.871 59 K HN 0.544 nan 8.250 nan 0.000 0.440 60 G N 1.187 109.998 108.800 0.019 0.000 4.203 60 G HA2 -0.036 3.918 3.960 -0.009 0.000 0.197 60 G HA3 -0.036 3.918 3.960 -0.009 0.000 0.197 60 G C -0.756 174.155 174.900 0.017 0.000 1.112 60 G CA -0.259 44.851 45.100 0.017 0.000 0.856 60 G HN -0.046 nan 8.290 nan 0.000 0.317 61 K N 0.445 120.857 120.400 0.021 0.000 2.589 61 K HA 0.500 4.814 4.320 -0.009 0.000 0.298 61 K C -0.288 176.329 176.600 0.029 0.000 1.136 61 K CA 0.382 56.682 56.287 0.023 0.000 1.020 61 K CB 0.767 33.279 32.500 0.020 0.000 1.345 61 K HN 0.671 nan 8.250 nan 0.000 0.478 62 G N 0.259 109.078 108.800 0.032 0.000 3.310 62 G HA2 0.602 4.557 3.960 -0.009 0.000 0.174 62 G HA3 0.602 4.557 3.960 -0.009 0.000 0.174 62 G C 0.427 175.351 174.900 0.039 0.000 1.097 62 G CA 0.168 45.289 45.100 0.035 0.000 0.795 62 G HN 0.986 nan 8.290 nan 0.000 0.670 63 G N -1.036 107.784 108.800 0.033 0.000 2.140 63 G HA2 0.045 3.999 3.960 -0.009 0.000 0.211 63 G HA3 0.045 3.999 3.960 -0.009 0.000 0.211 63 G C 0.165 175.079 174.900 0.024 0.000 1.013 63 G CA 0.350 45.469 45.100 0.032 0.000 0.705 63 G HN 1.336 nan 8.290 nan 0.000 0.508 64 L N 0.817 122.049 121.223 0.015 0.000 2.416 64 L HA 0.645 4.979 4.340 -0.009 0.000 0.272 64 L C 0.166 177.025 176.870 -0.018 0.000 1.161 64 L CA -0.120 54.716 54.840 -0.006 0.000 0.845 64 L CB 1.432 43.490 42.059 -0.002 0.000 1.119 64 L HN 0.500 nan 8.230 nan 0.000 0.464 65 V N 5.662 125.551 119.914 -0.043 0.000 2.637 65 V HA 0.275 4.389 4.120 -0.009 0.000 0.274 65 V C -0.775 175.279 176.094 -0.067 0.000 1.004 65 V CA -0.542 61.733 62.300 -0.041 0.000 0.894 65 V CB 0.954 32.757 31.823 -0.034 0.000 1.046 65 V HN 0.669 nan 8.190 nan 0.000 0.467 66 L N 4.173 125.364 121.223 -0.053 0.000 2.259 66 L HA 0.683 5.017 4.340 -0.009 0.000 0.288 66 L C 0.100 176.909 176.870 -0.102 0.000 1.051 66 L CA 0.644 55.437 54.840 -0.080 0.000 0.824 66 L CB 0.510 42.544 42.059 -0.040 0.000 1.206 66 L HN 0.587 nan 8.230 nan 0.000 0.429 67 D N 3.200 123.506 120.400 -0.156 0.000 2.511 67 D HA 0.317 4.951 4.640 -0.009 0.000 0.276 67 D C -1.091 174.986 176.300 -0.372 0.000 1.220 67 D CA 0.107 54.000 54.000 -0.178 0.000 1.077 67 D CB 1.159 41.880 40.800 -0.133 0.000 1.126 67 D HN 0.333 nan 8.370 nan 0.000 0.583 68 F N 0.525 120.176 119.950 -0.498 0.000 2.557 68 F HA 0.281 4.803 4.527 -0.009 0.000 0.316 68 F C -0.583 175.049 175.800 -0.281 0.000 1.141 68 F CA -0.668 56.950 58.000 -0.637 0.000 0.922 68 F CB 0.493 39.057 39.000 -0.727 0.000 1.194 68 F HN 0.176 nan 8.300 nan 0.000 0.443 69 L N 2.538 123.317 121.223 -0.740 0.000 2.327 69 L HA 0.415 4.750 4.340 -0.009 0.000 0.192 69 L C -0.414 175.917 176.870 -0.897 0.000 1.158 69 L CA 0.185 54.629 54.840 -0.659 0.000 0.813 69 L CB -0.208 41.670 42.059 -0.301 0.000 1.021 69 L HN 0.494 nan 8.230 nan 0.000 0.481 70 E N -0.754 119.151 120.200 -0.492 0.000 2.352 70 E HA 0.282 4.626 4.350 -0.009 0.000 0.280 70 E C -1.634 175.296 176.600 0.550 0.000 0.930 70 E CA -0.565 55.818 56.400 -0.028 0.000 0.765 70 E CB 1.309 31.014 29.700 0.008 0.000 1.219 70 E HN 0.179 nan 8.360 nan 0.000 0.434 71 Y N 0.323 120.967 120.300 0.573 0.000 2.383 71 Y HA 0.696 5.240 4.550 -0.009 0.000 0.344 71 Y C -0.240 175.829 175.900 0.282 0.000 0.986 71 Y CA -1.232 57.202 58.100 0.557 0.000 1.175 71 Y CB 0.705 39.523 38.460 0.596 0.000 1.152 71 Y HN 0.471 nan 8.280 nan 0.000 0.511 72 R N 4.099 124.698 120.500 0.165 0.000 2.521 72 R HA 0.497 4.831 4.340 -0.009 0.000 0.295 72 R C -1.990 174.313 176.300 0.005 0.000 1.183 72 R CA -0.601 55.483 56.100 -0.026 0.000 0.957 72 R CB 0.330 30.622 30.300 -0.013 0.000 1.171 72 R HN 0.709 nan 8.270 nan 0.000 0.494 73 L N 1.127 122.292 121.223 -0.097 0.000 2.482 73 L HA 0.774 5.108 4.340 -0.009 0.000 0.242 73 L C 1.399 178.171 176.870 -0.164 0.000 1.210 73 L CA 0.642 55.380 54.840 -0.171 0.000 0.819 73 L CB 0.823 42.769 42.059 -0.187 0.000 1.203 73 L HN 0.910 nan 8.230 nan 0.000 0.495 74 G N -1.558 107.125 108.800 -0.196 0.000 4.264 74 G HA2 0.054 4.008 3.960 -0.009 0.000 0.204 74 G HA3 0.054 4.008 3.960 -0.009 0.000 0.204 74 G C -0.310 174.521 174.900 -0.115 0.000 1.003 74 G CA -0.326 44.694 45.100 -0.133 0.000 0.998 74 G HN 0.481 nan 8.290 nan 0.000 0.361 75 E N 2.084 122.199 120.200 -0.143 0.000 2.255 75 E HA 0.380 4.724 4.350 -0.009 0.000 0.245 75 E C -2.802 173.737 176.600 -0.101 0.000 0.909 75 E CA -1.852 54.487 56.400 -0.102 0.000 0.747 75 E CB 2.407 32.052 29.700 -0.092 0.000 1.215 75 E HN 0.061 nan 8.360 nan 0.000 0.424 76 P HA -0.091 nan 4.420 nan 0.000 0.261 76 P C -1.806 175.486 177.300 -0.013 0.000 1.165 76 P CA -0.502 62.600 63.100 0.003 0.000 0.759 76 P CB 0.221 32.002 31.700 0.135 0.000 0.772 77 P HA -0.140 nan 4.420 nan 0.000 0.213 77 P C -0.011 177.060 177.300 -0.381 0.000 1.176 77 P CA 1.711 64.715 63.100 -0.160 0.000 0.919 77 P CB 0.057 31.788 31.700 0.052 0.000 0.791 78 F N -3.224 116.770 119.950 0.074 0.000 3.012 78 F HA 0.563 5.084 4.527 -0.009 0.000 0.346 78 F C -2.276 173.573 175.800 0.082 0.000 1.239 78 F CA -1.741 56.294 58.000 0.058 0.000 1.028 78 F CB -0.020 38.999 39.000 0.032 0.000 1.497 78 F HN -0.256 nan 8.300 nan 0.000 0.521 79 P HA 0.379 nan 4.420 nan 0.000 0.294 79 P C -0.913 176.257 177.300 -0.217 0.000 1.297 79 P CA -0.521 62.556 63.100 -0.038 0.000 1.025 79 P CB 2.472 34.160 31.700 -0.020 0.000 1.457 80 Q N 0.162 119.663 119.800 -0.499 0.000 1.943 80 Q HA -0.248 4.086 4.340 -0.009 0.000 0.213 80 Q C 1.431 177.291 176.000 -0.233 0.000 1.017 80 Q CA 2.703 58.225 55.803 -0.468 0.000 0.874 80 Q CB -0.766 27.696 28.738 -0.460 0.000 0.960 80 Q HN 0.513 nan 8.270 nan 0.000 0.417 81 D N 0.206 120.498 120.400 -0.180 0.000 2.133 81 D HA -0.164 4.470 4.640 -0.009 0.000 0.195 81 D C 1.796 178.055 176.300 -0.070 0.000 0.997 81 D CA 1.017 54.943 54.000 -0.124 0.000 0.840 81 D CB -0.080 40.676 40.800 -0.073 0.000 0.947 81 D HN 0.188 nan 8.370 nan 0.000 0.452 82 E N -0.296 119.871 120.200 -0.055 0.000 2.204 82 E HA -0.138 4.206 4.350 -0.009 0.000 0.195 82 E C 1.838 178.377 176.600 -0.102 0.000 0.990 82 E CA 0.452 56.823 56.400 -0.047 0.000 0.821 82 E CB -0.054 29.654 29.700 0.013 0.000 0.750 82 E HN 0.365 nan 8.360 nan 0.000 0.477 83 C N -0.166 119.075 119.300 -0.098 0.000 2.446 83 C HA 0.035 4.489 4.460 -0.009 0.000 0.279 83 C C 2.493 177.440 174.990 -0.072 0.000 1.366 83 C CA 0.201 59.163 59.018 -0.093 0.000 1.763 83 C CB -0.689 27.025 27.740 -0.043 0.000 1.929 83 C HN 0.338 nan 8.230 nan 0.000 0.509 84 R N 0.172 120.633 120.500 -0.065 0.000 2.189 84 R HA 0.013 4.348 4.340 -0.009 0.000 0.203 84 R C 2.075 178.369 176.300 -0.008 0.000 1.012 84 R CA 0.413 56.491 56.100 -0.036 0.000 1.015 84 R CB -0.100 30.173 30.300 -0.044 0.000 0.938 84 R HN 0.598 nan 8.270 nan 0.000 0.472 85 E N 1.049 121.239 120.200 -0.017 0.000 2.033 85 E HA -0.061 4.284 4.350 -0.009 0.000 0.189 85 E C 0.092 176.680 176.600 -0.020 0.000 0.979 85 E CA 0.931 57.327 56.400 -0.006 0.000 0.802 85 E CB 0.399 30.091 29.700 -0.013 0.000 0.763 85 E HN -0.086 nan 8.360 nan 0.000 0.449 86 K N 0.584 120.944 120.400 -0.066 0.000 2.098 86 K HA 0.085 4.399 4.320 -0.009 0.000 0.244 86 K C -0.439 176.111 176.600 -0.084 0.000 1.014 86 K CA -0.006 56.224 56.287 -0.096 0.000 0.917 86 K CB 0.897 33.281 32.500 -0.194 0.000 1.072 86 K HN -0.080 nan 8.250 nan 0.000 0.477 87 D N 1.927 122.279 120.400 -0.080 0.000 3.071 87 D HA 0.108 4.742 4.640 -0.009 0.000 0.259 87 D C -0.550 175.708 176.300 -0.069 0.000 1.331 87 D CA 0.117 54.084 54.000 -0.055 0.000 0.861 87 D CB 0.010 40.792 40.800 -0.029 0.000 1.059 87 D HN 0.214 nan 8.370 nan 0.000 0.486 88 L N 0.242 121.399 121.223 -0.110 0.000 2.325 88 L HA 0.349 4.683 4.340 -0.009 0.000 0.279 88 L C 0.754 177.606 176.870 -0.030 0.000 1.054 88 L CA -0.586 54.192 54.840 -0.104 0.000 0.804 88 L CB 1.304 43.230 42.059 -0.223 0.000 1.200 88 L HN -0.237 nan 8.230 nan 0.000 0.436 89 T N 1.472 116.022 114.554 -0.006 0.000 2.737 89 T HA 0.086 4.430 4.350 -0.009 0.000 0.296 89 T C -0.261 174.481 174.700 0.070 0.000 0.922 89 T CA 0.012 62.127 62.100 0.025 0.000 1.079 89 T CB -0.230 68.630 68.868 -0.013 0.000 0.892 89 T HN 0.266 nan 8.240 nan 0.000 0.514 90 Y N 5.215 125.492 120.300 -0.040 0.000 2.713 90 Y HA 0.201 4.745 4.550 -0.009 0.000 0.341 90 Y C 0.256 176.118 175.900 -0.064 0.000 1.167 90 Y CA -0.607 57.480 58.100 -0.021 0.000 1.503 90 Y CB -0.242 38.215 38.460 -0.004 0.000 1.199 90 Y HN 0.593 nan 8.280 nan 0.000 0.525 91 Q N 4.848 124.488 119.800 -0.266 0.000 2.315 91 Q HA 0.758 5.092 4.340 -0.009 0.000 0.273 91 Q C -1.233 174.616 176.000 -0.252 0.000 1.053 91 Q CA -1.100 54.505 55.803 -0.329 0.000 0.817 91 Q CB 1.838 30.484 28.738 -0.154 0.000 1.326 91 Q HN 0.764 nan 8.270 nan 0.000 0.423 92 A N 2.709 125.341 122.820 -0.313 0.000 2.354 92 A HA 0.706 5.020 4.320 -0.009 0.000 0.269 92 A C -2.354 175.112 177.584 -0.197 0.000 1.109 92 A CA -1.314 50.580 52.037 -0.238 0.000 0.800 92 A CB -0.013 18.826 19.000 -0.269 0.000 1.045 92 A HN 0.411 nan 8.150 nan 0.000 0.489 93 P HA 0.483 nan 4.420 nan 0.000 0.275 93 P C -0.989 176.055 177.300 -0.426 0.000 1.266 93 P CA -0.298 62.533 63.100 -0.448 0.000 0.793 93 P CB 0.539 31.900 31.700 -0.566 0.000 1.074 94 L N 1.716 122.668 121.223 -0.451 0.000 2.753 94 L HA 0.399 4.733 4.340 -0.009 0.000 0.259 94 L C -2.111 174.755 176.870 -0.007 0.000 0.958 94 L CA -0.614 54.100 54.840 -0.210 0.000 0.955 94 L CB 0.379 42.389 42.059 -0.082 0.000 1.317 94 L HN 0.269 nan 8.230 nan 0.000 0.436 95 Y N 3.032 123.409 120.300 0.128 0.000 2.327 95 Y HA 0.941 5.486 4.550 -0.009 0.000 0.325 95 Y C -0.098 175.936 175.900 0.223 0.000 0.999 95 Y CA -1.629 56.591 58.100 0.200 0.000 1.195 95 Y CB 0.419 38.991 38.460 0.187 0.000 1.132 95 Y HN 0.711 nan 8.280 nan 0.000 0.455 96 A N 4.045 127.163 122.820 0.497 0.000 2.264 96 A HA 0.726 5.040 4.320 -0.009 0.000 0.304 96 A C 0.095 177.833 177.584 0.257 0.000 1.100 96 A CA -1.167 51.144 52.037 0.457 0.000 0.839 96 A CB 0.695 20.075 19.000 0.634 0.000 1.121 96 A HN 0.823 nan 8.150 nan 0.000 0.496 97 R N 0.133 120.745 120.500 0.187 0.000 2.438 97 R HA 0.506 4.840 4.340 -0.009 0.000 0.287 97 R C -0.993 175.275 176.300 -0.052 0.000 1.077 97 R CA 0.088 56.209 56.100 0.036 0.000 1.034 97 R CB 0.433 30.726 30.300 -0.013 0.000 0.993 97 R HN 0.612 nan 8.270 nan 0.000 0.459 98 L N 2.260 123.426 121.223 -0.095 0.000 2.333 98 L HA 0.430 4.765 4.340 -0.009 0.000 0.263 98 L C -0.815 175.971 176.870 -0.141 0.000 1.014 98 L CA -0.838 53.896 54.840 -0.177 0.000 0.820 98 L CB 2.322 44.288 42.059 -0.156 0.000 1.352 98 L HN 0.667 nan 8.230 nan 0.000 0.421 99 Q N 2.124 121.826 119.800 -0.163 0.000 2.371 99 Q HA 0.488 4.822 4.340 -0.009 0.000 0.244 99 Q C -1.884 174.032 176.000 -0.140 0.000 0.882 99 Q CA -0.929 54.796 55.803 -0.130 0.000 0.866 99 Q CB 1.389 30.057 28.738 -0.118 0.000 1.399 99 Q HN 0.383 nan 8.270 nan 0.000 0.432 100 L N 0.817 121.953 121.223 -0.145 0.000 2.307 100 L HA 0.633 4.968 4.340 -0.009 0.000 0.282 100 L C -0.241 176.475 176.870 -0.256 0.000 1.051 100 L CA -0.752 53.978 54.840 -0.184 0.000 0.804 100 L CB 0.234 42.180 42.059 -0.189 0.000 1.197 100 L HN 0.551 nan 8.230 nan 0.000 0.431 101 I N 1.580 122.014 120.570 -0.227 0.000 3.110 101 I HA 0.452 4.616 4.170 -0.009 0.000 0.314 101 I C 0.217 176.141 176.117 -0.321 0.000 1.020 101 I CA -0.181 61.000 61.300 -0.199 0.000 1.169 101 I CB 0.463 38.411 38.000 -0.086 0.000 1.437 101 I HN 0.624 nan 8.210 nan 0.000 0.595 102 H N 1.407 120.471 119.070 -0.009 0.000 2.930 102 H HA 0.324 4.874 4.556 -0.009 0.000 0.371 102 H C 0.154 175.480 175.328 -0.003 0.000 1.169 102 H CA -0.618 55.426 56.048 -0.006 0.000 1.157 102 H CB 2.218 31.976 29.762 -0.007 0.000 1.789 102 H HN 0.282 nan 8.280 nan 0.000 0.547 103 K N 0.809 121.302 120.400 0.155 0.000 2.418 103 K HA 0.038 4.352 4.320 -0.009 0.000 0.195 103 K C 0.081 176.713 176.600 0.052 0.000 1.035 103 K CA 0.498 56.831 56.287 0.077 0.000 1.003 103 K CB 0.295 32.829 32.500 0.057 0.000 0.793 103 K HN 0.620 nan 8.250 nan 0.000 0.494 104 D N -0.709 119.720 120.400 0.049 0.000 2.595 104 D HA 0.095 4.729 4.640 -0.009 0.000 0.268 104 D C -0.029 176.281 176.300 0.017 0.000 1.181 104 D CA -0.575 53.425 54.000 -0.001 0.000 1.085 104 D CB -0.116 40.646 40.800 -0.063 0.000 1.186 104 D HN -0.321 nan 8.370 nan 0.000 0.621 105 T N -0.567 113.980 114.554 -0.013 0.000 2.928 105 T HA 0.476 4.820 4.350 -0.009 0.000 0.305 105 T C 0.445 175.167 174.700 0.037 0.000 1.035 105 T CA 1.215 63.319 62.100 0.008 0.000 1.145 105 T CB 0.000 68.863 68.868 -0.009 0.000 0.963 105 T HN 0.754 nan 8.240 nan 0.000 0.545 106 G N 1.891 110.738 108.800 0.080 0.000 2.650 106 G HA2 0.025 3.979 3.960 -0.009 0.000 0.686 106 G HA3 0.025 3.979 3.960 -0.009 0.000 0.686 106 G C -1.225 173.793 174.900 0.196 0.000 1.205 106 G CA -1.023 44.156 45.100 0.132 0.000 0.781 106 G HN 0.877 nan 8.290 nan 0.000 0.648 107 L N 1.206 122.485 121.223 0.093 0.000 2.563 107 L HA 0.445 4.779 4.340 -0.009 0.000 0.259 107 L C 0.347 177.204 176.870 -0.021 0.000 1.034 107 L CA -0.793 54.039 54.840 -0.014 0.000 0.899 107 L CB 1.244 43.281 42.059 -0.037 0.000 1.159 107 L HN 0.524 nan 8.230 nan 0.000 0.456 108 I N 2.265 122.822 120.570 -0.022 0.000 2.517 108 I HA 0.075 4.240 4.170 -0.009 0.000 0.285 108 I C 0.654 176.742 176.117 -0.048 0.000 1.106 108 I CA 0.213 61.506 61.300 -0.011 0.000 1.402 108 I CB 0.711 38.724 38.000 0.022 0.000 1.399 108 I HN 0.568 nan 8.210 nan 0.000 0.535 109 K N 5.948 126.323 120.400 -0.041 0.000 2.291 109 K HA 0.184 4.498 4.320 -0.009 0.000 0.242 109 K C -0.251 176.322 176.600 -0.045 0.000 1.098 109 K CA -0.474 55.779 56.287 -0.055 0.000 1.036 109 K CB 0.348 32.814 32.500 -0.057 0.000 1.655 109 K HN 0.361 nan 8.250 nan 0.000 0.432 110 E N 3.838 124.012 120.200 -0.042 0.000 1.936 110 E HA 0.018 4.363 4.350 -0.009 0.000 0.267 110 E C 0.040 176.618 176.600 -0.037 0.000 1.076 110 E CA -0.157 56.224 56.400 -0.033 0.000 0.870 110 E CB 0.193 29.881 29.700 -0.020 0.000 1.093 110 E HN 0.569 nan 8.360 nan 0.000 0.411 111 D N 2.968 123.341 120.400 -0.046 0.000 2.855 111 D HA -0.245 4.389 4.640 -0.009 0.000 0.242 111 D C 0.048 176.320 176.300 -0.046 0.000 1.105 111 D CA 1.593 55.561 54.000 -0.055 0.000 0.977 111 D CB -0.045 40.713 40.800 -0.071 0.000 1.241 111 D HN 0.470 nan 8.370 nan 0.000 0.500 112 E N 0.169 120.316 120.200 -0.088 0.000 2.214 112 E HA 0.500 4.844 4.350 -0.009 0.000 0.274 112 E C -0.308 176.312 176.600 0.033 0.000 0.977 112 E CA -0.725 55.616 56.400 -0.099 0.000 0.827 112 E CB 2.516 31.912 29.700 -0.506 0.000 1.130 112 E HN 0.067 nan 8.360 nan 0.000 0.394 113 V N 0.875 120.901 119.914 0.187 0.000 2.498 113 V HA 0.313 4.427 4.120 -0.009 0.000 0.283 113 V C -0.682 175.652 176.094 0.400 0.000 1.015 113 V CA -1.149 61.281 62.300 0.216 0.000 0.867 113 V CB -0.111 31.797 31.823 0.143 0.000 1.025 113 V HN 0.529 nan 8.190 nan 0.000 0.441 114 F N 4.948 125.061 119.950 0.271 0.000 2.390 114 F HA 0.871 5.392 4.527 -0.009 0.000 0.361 114 F C -0.463 175.389 175.800 0.087 0.000 1.124 114 F CA -1.678 56.449 58.000 0.210 0.000 1.149 114 F CB 0.576 39.669 39.000 0.154 0.000 1.160 114 F HN 0.414 nan 8.300 nan 0.000 0.501 115 L N 1.869 123.208 121.223 0.194 0.000 2.356 115 L HA 1.041 5.375 4.340 -0.009 0.000 0.277 115 L C -0.010 176.914 176.870 0.089 0.000 0.996 115 L CA -0.992 53.913 54.840 0.108 0.000 0.822 115 L CB 1.460 43.590 42.059 0.118 0.000 1.256 115 L HN 1.138 nan 8.230 nan 0.000 0.413 116 G N 1.271 110.106 108.800 0.058 0.000 3.405 116 G HA2 -0.138 3.816 3.960 -0.009 0.000 0.676 116 G HA3 -0.138 3.816 3.960 -0.009 0.000 0.676 116 G C -0.979 173.854 174.900 -0.111 0.000 1.039 116 G CA -0.702 44.418 45.100 0.034 0.000 0.855 116 G HN 0.958 nan 8.290 nan 0.000 0.443 117 H N 2.096 121.169 119.070 0.005 0.000 2.691 117 H HA 0.405 4.955 4.556 -0.009 0.000 0.281 117 H C 0.479 175.720 175.328 -0.145 0.000 1.121 117 H CA -0.267 55.747 56.048 -0.057 0.000 1.254 117 H CB 1.272 31.025 29.762 -0.014 0.000 1.390 117 H HN 0.729 nan 8.280 nan 0.000 0.491 118 I N 4.454 124.945 120.570 -0.131 0.000 2.336 118 I HA 0.392 4.557 4.170 -0.009 0.000 0.292 118 I C -2.651 173.248 176.117 -0.364 0.000 0.991 118 I CA -2.224 58.920 61.300 -0.260 0.000 1.227 118 I CB 1.884 39.732 38.000 -0.254 0.000 1.366 118 I HN 0.160 nan 8.210 nan 0.000 0.466 119 P HA 0.072 nan 4.420 nan 0.000 0.266 119 P C -0.751 176.267 177.300 -0.471 0.000 1.193 119 P CA 0.245 62.958 63.100 -0.645 0.000 0.770 119 P CB 0.570 31.603 31.700 -1.110 0.000 0.836 120 L N 1.931 122.869 121.223 -0.476 0.000 2.335 120 L HA 0.573 4.907 4.340 -0.009 0.000 0.268 120 L C 0.398 177.325 176.870 0.095 0.000 1.016 120 L CA -1.037 53.677 54.840 -0.211 0.000 0.805 120 L CB 1.207 43.018 42.059 -0.413 0.000 1.311 120 L HN 0.323 nan 8.230 nan 0.000 0.456 121 M N 0.390 120.255 119.600 0.442 0.000 2.227 121 M HA 0.315 4.789 4.480 -0.009 0.000 0.335 121 M C -0.448 176.105 176.300 0.422 0.000 1.053 121 M CA -0.418 55.300 55.300 0.698 0.000 0.973 121 M CB 1.636 34.682 32.600 0.743 0.000 1.623 121 M HN 0.558 nan 8.290 nan 0.000 0.434 122 T N 2.739 117.518 114.554 0.376 0.000 2.855 122 T HA -0.029 4.316 4.350 -0.009 0.000 0.322 122 T C 1.150 175.935 174.700 0.143 0.000 1.088 122 T CA -0.085 62.145 62.100 0.217 0.000 1.104 122 T CB 0.515 69.466 68.868 0.138 0.000 0.996 122 T HN 0.706 nan 8.240 nan 0.000 0.549 123 E N 0.687 120.942 120.200 0.092 0.000 2.204 123 E HA -0.188 4.157 4.350 -0.009 0.000 0.195 123 E C 1.785 178.406 176.600 0.034 0.000 0.990 123 E CA 1.595 58.031 56.400 0.060 0.000 0.821 123 E CB -0.028 29.693 29.700 0.035 0.000 0.750 123 E HN 0.814 nan 8.360 nan 0.000 0.477 124 D N -1.786 118.627 120.400 0.022 0.000 2.162 124 D HA -0.040 4.594 4.640 -0.009 0.000 0.203 124 D C 1.398 177.689 176.300 -0.014 0.000 0.967 124 D CA 1.243 55.242 54.000 -0.001 0.000 0.840 124 D CB 0.173 40.968 40.800 -0.009 0.000 0.972 124 D HN 0.158 nan 8.370 nan 0.000 0.482 125 G N -0.728 108.065 108.800 -0.012 0.000 2.559 125 G HA2 -0.110 3.844 3.960 -0.009 0.000 0.202 125 G HA3 -0.110 3.844 3.960 -0.009 0.000 0.202 125 G C 0.362 175.161 174.900 -0.169 0.000 0.992 125 G CA 0.131 45.191 45.100 -0.067 0.000 0.764 125 G HN 0.629 nan 8.290 nan 0.000 0.525 126 S N -0.344 115.296 115.700 -0.100 0.000 2.666 126 S HA 0.887 5.352 4.470 -0.009 0.000 0.279 126 S C -0.086 174.517 174.600 0.005 0.000 1.149 126 S CA -0.698 57.414 58.200 -0.147 0.000 1.020 126 S CB 1.527 64.705 63.200 -0.036 0.000 1.127 126 S HN 0.274 nan 8.310 nan 0.000 0.537 127 F N -1.116 118.875 119.950 0.069 0.000 2.664 127 F HA 0.593 5.114 4.527 -0.009 0.000 0.329 127 F C -0.435 175.433 175.800 0.114 0.000 1.090 127 F CA -1.428 56.648 58.000 0.127 0.000 0.978 127 F CB 1.859 40.967 39.000 0.179 0.000 1.378 127 F HN 0.345 nan 8.300 nan 0.000 0.495 128 I N 2.292 123.088 120.570 0.377 0.000 2.782 128 I HA 0.130 4.294 4.170 -0.009 0.000 0.279 128 I C -0.303 175.921 176.117 0.179 0.000 1.247 128 I CA -0.178 61.250 61.300 0.214 0.000 1.062 128 I CB 0.746 38.848 38.000 0.169 0.000 1.421 128 I HN 0.466 nan 8.210 nan 0.000 0.558 129 I N 3.057 123.736 120.570 0.181 0.000 2.402 129 I HA -0.079 4.085 4.170 -0.009 0.000 0.221 129 I C 2.046 178.208 176.117 0.076 0.000 1.059 129 I CA 1.428 62.813 61.300 0.142 0.000 1.371 129 I CB -0.378 37.756 38.000 0.224 0.000 1.182 129 I HN 0.449 nan 8.210 nan 0.000 0.403 130 N N -0.272 118.461 118.700 0.055 0.000 2.245 130 N HA 0.056 4.790 4.740 -0.009 0.000 0.185 130 N C 1.495 177.001 175.510 -0.006 0.000 1.036 130 N CA 1.610 54.673 53.050 0.021 0.000 0.857 130 N CB -0.173 38.328 38.487 0.023 0.000 1.015 130 N HN 0.499 nan 8.380 nan 0.000 0.436 131 G N -1.339 107.442 108.800 -0.031 0.000 2.800 131 G HA2 0.419 4.373 3.960 -0.009 0.000 0.180 131 G HA3 0.419 4.373 3.960 -0.009 0.000 0.180 131 G C -0.355 174.502 174.900 -0.071 0.000 1.297 131 G CA 0.384 45.458 45.100 -0.042 0.000 0.884 131 G HN 0.442 nan 8.290 nan 0.000 0.869 132 A N 1.221 123.972 122.820 -0.115 0.000 2.288 132 A HA 0.612 4.926 4.320 -0.009 0.000 0.320 132 A C -0.754 176.781 177.584 -0.082 0.000 1.217 132 A CA -0.490 51.439 52.037 -0.180 0.000 0.840 132 A CB 0.649 19.391 19.000 -0.430 0.000 1.179 132 A HN 0.074 nan 8.150 nan 0.000 0.504 133 D N 1.565 121.931 120.400 -0.057 0.000 2.488 133 D HA 0.172 4.806 4.640 -0.009 0.000 0.238 133 D C 0.298 176.616 176.300 0.031 0.000 1.138 133 D CA 0.985 54.994 54.000 0.014 0.000 0.873 133 D CB 0.625 41.419 40.800 -0.010 0.000 1.183 133 D HN 0.483 nan 8.370 nan 0.000 0.458 134 R N 0.482 121.054 120.500 0.118 0.000 2.888 134 R HA 0.702 5.036 4.340 -0.009 0.000 0.266 134 R C -1.076 175.255 176.300 0.050 0.000 1.020 134 R CA -0.994 55.179 56.100 0.122 0.000 0.963 134 R CB 2.008 32.425 30.300 0.196 0.000 1.197 134 R HN 0.159 nan 8.270 nan 0.000 0.481 135 V N 2.963 122.897 119.914 0.033 0.000 2.789 135 V HA 0.415 4.529 4.120 -0.009 0.000 0.311 135 V C -0.677 175.313 176.094 -0.173 0.000 1.073 135 V CA -0.858 61.383 62.300 -0.098 0.000 0.921 135 V CB 2.220 34.111 31.823 0.113 0.000 1.009 135 V HN 0.553 nan 8.190 nan 0.000 0.426 136 I N 4.603 124.973 120.570 -0.333 0.000 2.297 136 I HA 0.316 4.480 4.170 -0.009 0.000 0.291 136 I C 0.068 176.045 176.117 -0.233 0.000 1.033 136 I CA -0.274 60.856 61.300 -0.282 0.000 1.253 136 I CB 1.387 39.217 38.000 -0.284 0.000 1.396 136 I HN 0.255 nan 8.210 nan 0.000 0.476 137 V N 6.412 126.206 119.914 -0.200 0.000 2.498 137 V HA 0.249 4.363 4.120 -0.009 0.000 0.279 137 V C 0.835 176.871 176.094 -0.097 0.000 1.048 137 V CA -0.553 61.633 62.300 -0.188 0.000 0.967 137 V CB 1.257 32.958 31.823 -0.204 0.000 0.988 137 V HN 0.880 nan 8.190 nan 0.000 0.473 138 S N 4.232 119.881 115.700 -0.084 0.000 2.608 138 S HA 0.471 4.935 4.470 -0.009 0.000 0.261 138 S C -0.332 174.265 174.600 -0.004 0.000 1.314 138 S CA -0.531 57.652 58.200 -0.028 0.000 0.992 138 S CB 1.178 64.359 63.200 -0.031 0.000 0.935 138 S HN 0.810 nan 8.310 nan 0.000 0.564 139 Q N -0.615 119.205 119.800 0.034 0.000 2.683 139 Q HA 0.740 5.075 4.340 -0.009 0.000 0.302 139 Q C -1.779 174.259 176.000 0.064 0.000 1.042 139 Q CA -0.915 54.924 55.803 0.059 0.000 0.773 139 Q CB 1.484 30.282 28.738 0.100 0.000 1.508 139 Q HN 0.805 nan 8.270 nan 0.000 0.459 140 I N 0.683 121.300 120.570 0.079 0.000 2.769 140 I HA 0.577 4.742 4.170 -0.009 0.000 0.298 140 I C -1.029 175.155 176.117 0.111 0.000 1.128 140 I CA -0.873 60.449 61.300 0.038 0.000 1.031 140 I CB 2.081 40.110 38.000 0.048 0.000 1.235 140 I HN 0.843 nan 8.210 nan 0.000 0.423 141 H N 1.515 120.645 119.070 0.099 0.000 2.904 141 H HA 0.477 5.027 4.556 -0.009 0.000 0.290 141 H C -1.361 174.037 175.328 0.117 0.000 1.437 141 H CA -1.259 54.842 56.048 0.088 0.000 1.147 141 H CB 0.760 30.569 29.762 0.077 0.000 1.824 141 H HN 0.324 nan 8.280 nan 0.000 0.505 142 R N 1.453 122.177 120.500 0.373 0.000 2.446 142 R HA 0.175 4.509 4.340 -0.009 0.000 0.314 142 R C -0.276 176.330 176.300 0.509 0.000 1.003 142 R CA 0.466 56.751 56.100 0.309 0.000 1.018 142 R CB 0.039 30.491 30.300 0.252 0.000 0.945 142 R HN 0.765 nan 8.270 nan 0.000 0.419 143 S N 3.728 119.670 115.700 0.403 0.000 2.443 143 S HA 0.160 4.624 4.470 -0.009 0.000 0.284 143 S C -2.250 172.579 174.600 0.381 0.000 1.206 143 S CA -1.426 57.045 58.200 0.452 0.000 1.074 143 S CB 0.590 64.131 63.200 0.567 0.000 0.963 143 S HN 0.278 nan 8.310 nan 0.000 0.501 144 P HA 0.096 nan 4.420 nan 0.000 0.252 144 P C 0.739 178.058 177.300 0.032 0.000 1.136 144 P CA 1.178 64.366 63.100 0.146 0.000 0.778 144 P CB -0.325 31.429 31.700 0.090 0.000 0.722 145 G N 1.359 110.082 108.800 -0.128 0.000 2.562 145 G HA2 0.479 4.434 3.960 -0.009 0.000 0.190 145 G HA3 0.479 4.434 3.960 -0.009 0.000 0.190 145 G C -1.594 172.935 174.900 -0.618 0.000 1.196 145 G CA -0.358 44.523 45.100 -0.365 0.000 0.986 145 G HN 0.297 nan 8.290 nan 0.000 0.512 146 V N 0.234 119.581 119.914 -0.945 0.000 2.888 146 V HA 0.786 4.900 4.120 -0.009 0.000 0.309 146 V C -1.446 173.859 176.094 -1.313 0.000 1.114 146 V CA -0.668 61.051 62.300 -0.968 0.000 0.940 146 V CB 1.430 32.846 31.823 -0.678 0.000 1.021 146 V HN 0.743 nan 8.190 nan 0.000 0.426 147 Y N 2.090 121.936 120.300 -0.758 0.000 2.655 147 Y HA 0.785 5.330 4.550 -0.009 0.000 0.336 147 Y C -1.058 174.193 175.900 -1.082 0.000 1.154 147 Y CA -1.324 56.358 58.100 -0.698 0.000 1.055 147 Y CB 1.865 40.136 38.460 -0.314 0.000 1.295 147 Y HN 0.482 nan 8.280 nan 0.000 0.465 148 F N 0.269 120.302 119.950 0.138 0.000 2.496 148 F HA 0.582 5.103 4.527 -0.009 0.000 0.341 148 F C -0.130 175.677 175.800 0.012 0.000 1.134 148 F CA -0.670 57.367 58.000 0.062 0.000 0.968 148 F CB 2.085 41.110 39.000 0.042 0.000 1.205 148 F HN 0.262 nan 8.300 nan 0.000 0.436 149 T N 4.065 118.709 114.554 0.151 0.000 2.856 149 T HA 0.448 4.793 4.350 -0.009 0.000 0.283 149 T C -2.601 172.210 174.700 0.184 0.000 1.008 149 T CA -1.853 60.312 62.100 0.108 0.000 0.997 149 T CB 1.809 70.715 68.868 0.063 0.000 0.992 149 T HN 0.122 nan 8.240 nan 0.000 0.454 150 P HA -0.030 nan 4.420 nan 0.000 0.264 150 P C -0.348 177.073 177.300 0.202 0.000 1.173 150 P CA 0.013 63.308 63.100 0.324 0.000 0.761 150 P CB 0.416 32.268 31.700 0.252 0.000 0.794 151 D N 3.450 123.953 120.400 0.172 0.000 2.341 151 D HA 0.075 4.709 4.640 -0.009 0.000 0.245 151 D C -1.209 175.132 176.300 0.068 0.000 1.106 151 D CA -1.600 52.463 54.000 0.104 0.000 0.905 151 D CB 0.501 41.343 40.800 0.071 0.000 1.202 151 D HN 0.161 nan 8.370 nan 0.000 0.426 152 P HA -0.208 nan 4.420 nan 0.000 0.217 152 P C 0.488 177.805 177.300 0.028 0.000 0.848 152 P CA 2.170 65.296 63.100 0.043 0.000 1.049 152 P CB 0.159 31.883 31.700 0.040 0.000 0.690 153 A N -1.751 121.081 122.820 0.020 0.000 1.993 153 A HA 0.100 4.415 4.320 -0.009 0.000 0.207 153 A C 1.009 178.594 177.584 0.001 0.000 1.224 153 A CA 0.151 52.194 52.037 0.010 0.000 0.749 153 A CB -0.311 18.694 19.000 0.009 0.000 0.884 153 A HN 0.108 nan 8.150 nan 0.000 0.467 154 R N 1.368 121.866 120.500 -0.002 0.000 2.345 154 R HA 0.272 4.607 4.340 -0.009 0.000 0.331 154 R C -2.560 173.723 176.300 -0.028 0.000 1.067 154 R CA -1.397 54.694 56.100 -0.015 0.000 0.962 154 R CB -0.141 30.149 30.300 -0.017 0.000 0.987 154 R HN 0.188 nan 8.270 nan 0.000 0.451 155 P HA 0.033 nan 4.420 nan 0.000 0.263 155 P C 0.015 177.270 177.300 -0.074 0.000 1.345 155 P CA 0.246 63.318 63.100 -0.047 0.000 1.119 155 P CB 1.064 32.741 31.700 -0.038 0.000 1.363 156 G N 2.669 111.404 108.800 -0.107 0.000 3.246 156 G HA2 0.223 4.178 3.960 -0.009 0.000 0.160 156 G HA3 0.223 4.178 3.960 -0.009 0.000 0.160 156 G C -0.418 174.335 174.900 -0.245 0.000 1.458 156 G CA -0.121 44.896 45.100 -0.139 0.000 1.139 156 G HN 0.210 nan 8.290 nan 0.000 0.750 157 R N -0.154 120.212 120.500 -0.223 0.000 2.854 157 R HA 0.530 4.865 4.340 -0.009 0.000 0.271 157 R C -1.263 174.928 176.300 -0.183 0.000 0.994 157 R CA -0.581 55.303 56.100 -0.360 0.000 0.945 157 R CB 1.468 31.629 30.300 -0.231 0.000 1.194 157 R HN 0.513 nan 8.270 nan 0.000 0.476 158 Y N 0.746 121.068 120.300 0.038 0.000 2.316 158 Y HA 0.505 5.050 4.550 -0.009 0.000 0.324 158 Y C 1.179 177.143 175.900 0.108 0.000 1.267 158 Y CA -1.144 57.000 58.100 0.073 0.000 1.311 158 Y CB 0.063 38.578 38.460 0.091 0.000 1.267 158 Y HN 0.481 nan 8.280 nan 0.000 0.516 159 I N -0.240 120.524 120.570 0.324 0.000 3.474 159 I HA 1.001 5.165 4.170 -0.009 0.000 0.294 159 I C -0.355 175.965 176.117 0.338 0.000 1.185 159 I CA -1.501 59.957 61.300 0.263 0.000 1.003 159 I CB 1.588 39.691 38.000 0.170 0.000 1.327 159 I HN 0.688 nan 8.210 nan 0.000 0.541 160 A N 1.097 124.079 122.820 0.269 0.000 2.350 160 A HA 0.828 5.143 4.320 -0.009 0.000 0.318 160 A C -0.590 176.936 177.584 -0.097 0.000 1.132 160 A CA -0.209 51.945 52.037 0.195 0.000 0.811 160 A CB 1.247 20.450 19.000 0.338 0.000 1.313 160 A HN 0.990 nan 8.150 nan 0.000 0.454 161 S N 0.065 115.553 115.700 -0.354 0.000 2.689 161 S HA 0.578 5.043 4.470 -0.009 0.000 0.274 161 S C -1.152 173.085 174.600 -0.605 0.000 1.176 161 S CA -0.385 57.548 58.200 -0.444 0.000 1.014 161 S CB 0.216 63.238 63.200 -0.297 0.000 1.071 161 S HN 0.580 nan 8.310 nan 0.000 0.478 162 I N 4.364 124.524 120.570 -0.683 0.000 2.328 162 I HA 0.423 4.588 4.170 -0.009 0.000 0.287 162 I C -0.245 175.424 176.117 -0.747 0.000 1.012 162 I CA -0.664 60.261 61.300 -0.625 0.000 1.195 162 I CB 1.349 39.025 38.000 -0.539 0.000 1.350 162 I HN 0.761 nan 8.210 nan 0.000 0.464 163 I N 8.520 128.734 120.570 -0.594 0.000 2.310 163 I HA 0.455 4.620 4.170 -0.009 0.000 0.287 163 I C -2.614 173.477 176.117 -0.043 0.000 1.073 163 I CA -1.920 59.125 61.300 -0.424 0.000 1.216 163 I CB 1.035 38.975 38.000 -0.101 0.000 1.415 163 I HN 0.264 nan 8.210 nan 0.000 0.480 164 P HA 0.306 nan 4.420 nan 0.000 0.298 164 P C -1.246 176.138 177.300 0.142 0.000 1.365 164 P CA -0.316 62.836 63.100 0.087 0.000 0.835 164 P CB 1.206 32.954 31.700 0.080 0.000 0.948 165 L N 5.092 126.355 121.223 0.066 0.000 2.346 165 L HA 0.797 5.132 4.340 -0.009 0.000 0.276 165 L C -2.697 174.145 176.870 -0.046 0.000 1.006 165 L CA -2.609 52.236 54.840 0.008 0.000 0.817 165 L CB 0.797 42.821 42.059 -0.059 0.000 1.272 165 L HN 0.129 nan 8.230 nan 0.000 0.421 166 P HA -0.077 nan 4.420 nan 0.000 0.274 166 P C 0.205 177.519 177.300 0.023 0.000 1.224 166 P CA 0.080 63.181 63.100 0.001 0.000 0.803 166 P CB 0.449 32.165 31.700 0.026 0.000 0.876 167 K N 1.238 121.646 120.400 0.012 0.000 2.062 167 K HA -0.076 4.238 4.320 -0.009 0.000 0.205 167 K C 0.562 177.188 176.600 0.043 0.000 1.051 167 K CA 1.203 57.499 56.287 0.015 0.000 0.941 167 K CB -0.101 32.392 32.500 -0.011 0.000 0.719 167 K HN 0.165 nan 8.250 nan 0.000 0.440 168 R N 0.600 121.125 120.500 0.041 0.000 3.247 168 R HA 0.208 4.543 4.340 -0.009 0.000 0.212 168 R C -0.639 175.708 176.300 0.079 0.000 1.604 168 R CA 0.083 56.217 56.100 0.057 0.000 1.279 168 R CB 0.086 30.409 30.300 0.039 0.000 1.277 168 R HN 0.315 nan 8.270 nan 0.000 0.669 169 G N 1.980 110.847 108.800 0.112 0.000 2.682 169 G HA2 0.313 4.267 3.960 -0.009 0.000 0.300 169 G HA3 0.313 4.267 3.960 -0.009 0.000 0.300 169 G C -2.993 172.021 174.900 0.189 0.000 1.396 169 G CA -1.056 44.133 45.100 0.148 0.000 1.104 169 G HN 0.055 nan 8.290 nan 0.000 0.587 170 P HA 0.047 nan 4.420 nan 0.000 0.269 170 P C -0.493 176.956 177.300 0.249 0.000 1.205 170 P CA 0.088 63.313 63.100 0.208 0.000 0.780 170 P CB 0.577 32.381 31.700 0.173 0.000 0.858 171 W N 4.352 125.656 121.300 0.007 0.000 2.563 171 W HA 0.362 5.016 4.660 -0.009 0.000 0.301 171 W C -1.825 174.681 176.519 -0.020 0.000 1.006 171 W CA -0.629 56.709 57.345 -0.011 0.000 1.382 171 W CB 0.542 29.999 29.460 -0.006 0.000 1.262 171 W HN 0.155 nan 8.180 nan 0.000 0.403 172 I N 4.165 124.555 120.570 -0.301 0.000 2.677 172 I HA 0.394 4.558 4.170 -0.009 0.000 0.305 172 I C -0.254 175.696 176.117 -0.277 0.000 0.988 172 I CA -0.029 61.148 61.300 -0.205 0.000 1.260 172 I CB 1.174 39.069 38.000 -0.174 0.000 1.410 172 I HN 0.146 nan 8.210 nan 0.000 0.523 173 D N 3.380 123.712 120.400 -0.113 0.000 2.970 173 D HA 0.523 5.157 4.640 -0.009 0.000 0.230 173 D C -1.331 174.969 176.300 -0.000 0.000 1.276 173 D CA -0.247 53.718 54.000 -0.058 0.000 0.910 173 D CB 1.663 42.467 40.800 0.007 0.000 1.590 173 D HN 0.301 nan 8.370 nan 0.000 0.551 174 L N 2.291 123.546 121.223 0.054 0.000 2.294 174 L HA 0.573 4.907 4.340 -0.009 0.000 0.283 174 L C -0.151 176.792 176.870 0.123 0.000 1.015 174 L CA -0.592 54.307 54.840 0.099 0.000 0.831 174 L CB 1.504 43.657 42.059 0.158 0.000 1.217 174 L HN 0.313 nan 8.230 nan 0.000 0.420 175 E N 3.135 123.387 120.200 0.087 0.000 2.263 175 E HA 0.453 4.797 4.350 -0.009 0.000 0.268 175 E C -1.267 175.373 176.600 0.066 0.000 0.884 175 E CA -0.734 55.717 56.400 0.085 0.000 0.766 175 E CB 2.693 32.430 29.700 0.062 0.000 1.196 175 E HN 0.414 nan 8.360 nan 0.000 0.416 176 V N 1.751 121.704 119.914 0.064 0.000 2.350 176 V HA 0.541 4.656 4.120 -0.009 0.000 0.276 176 V C -0.284 175.816 176.094 0.010 0.000 1.028 176 V CA -0.498 61.825 62.300 0.038 0.000 0.860 176 V CB 1.356 33.192 31.823 0.021 0.000 0.990 176 V HN 0.825 nan 8.190 nan 0.000 0.453 177 E N 5.150 125.356 120.200 0.009 0.000 3.167 177 E HA 0.427 4.771 4.350 -0.009 0.000 0.212 177 E C -1.947 174.653 176.600 -0.001 0.000 1.143 177 E CA -1.880 54.520 56.400 0.000 0.000 1.002 177 E CB 1.443 31.146 29.700 0.006 0.000 1.315 177 E HN 0.649 nan 8.360 nan 0.000 0.422 178 P HA -0.276 nan 4.420 nan 0.000 0.220 178 P C 0.891 178.186 177.300 -0.008 0.000 1.146 178 P CA 0.955 64.046 63.100 -0.015 0.000 0.816 178 P CB 0.098 31.777 31.700 -0.035 0.000 0.764 179 N N -1.295 117.403 118.700 -0.004 0.000 2.519 179 N HA -0.091 4.644 4.740 -0.009 0.000 0.186 179 N C 1.190 176.705 175.510 0.007 0.000 1.062 179 N CA 1.428 54.478 53.050 -0.001 0.000 0.910 179 N CB -0.038 38.449 38.487 0.000 0.000 0.958 179 N HN 0.214 nan 8.380 nan 0.000 0.445 180 G N -0.692 108.116 108.800 0.013 0.000 4.449 180 G HA2 0.168 4.123 3.960 -0.009 0.000 0.195 180 G HA3 0.168 4.123 3.960 -0.009 0.000 0.195 180 G C -0.637 174.284 174.900 0.035 0.000 0.806 180 G CA -0.245 44.870 45.100 0.025 0.000 0.774 180 G HN 0.102 nan 8.290 nan 0.000 0.508 181 V N 0.461 120.393 119.914 0.029 0.000 3.159 181 V HA 0.789 4.904 4.120 -0.009 0.000 0.308 181 V C -0.516 175.598 176.094 0.033 0.000 1.190 181 V CA -0.856 61.466 62.300 0.036 0.000 1.037 181 V CB 2.343 34.185 31.823 0.032 0.000 1.060 181 V HN 0.353 nan 8.190 nan 0.000 0.437 182 V N 0.311 120.248 119.914 0.039 0.000 2.823 182 V HA 0.893 5.007 4.120 -0.009 0.000 0.312 182 V C -0.367 175.731 176.094 0.006 0.000 1.072 182 V CA -0.723 61.601 62.300 0.040 0.000 0.937 182 V CB 1.883 33.747 31.823 0.068 0.000 1.013 182 V HN 0.979 nan 8.190 nan 0.000 0.430 183 S N 3.396 119.091 115.700 -0.007 0.000 2.707 183 S HA 0.735 5.200 4.470 -0.009 0.000 0.303 183 S C -0.771 173.768 174.600 -0.102 0.000 1.132 183 S CA -0.540 57.620 58.200 -0.066 0.000 1.046 183 S CB 1.547 64.725 63.200 -0.037 0.000 1.004 183 S HN 0.871 nan 8.310 nan 0.000 0.483 184 M N 3.547 122.995 119.600 -0.254 0.000 2.134 184 M HA 0.459 4.934 4.480 -0.009 0.000 0.310 184 M C -1.818 174.207 176.300 -0.459 0.000 0.966 184 M CA -0.350 54.778 55.300 -0.287 0.000 0.922 184 M CB 1.244 33.663 32.600 -0.302 0.000 1.537 184 M HN 0.733 nan 8.290 nan 0.000 0.424 185 K N 4.009 124.278 120.400 -0.219 0.000 2.483 185 K HA 0.409 4.723 4.320 -0.009 0.000 0.256 185 K C 0.452 177.024 176.600 -0.046 0.000 0.961 185 K CA -0.684 55.505 56.287 -0.163 0.000 0.873 185 K CB 2.161 34.625 32.500 -0.061 0.000 1.107 185 K HN 0.488 nan 8.250 nan 0.000 0.432 186 V N 1.385 121.278 119.914 -0.034 0.000 2.261 186 V HA -0.091 4.024 4.120 -0.009 0.000 0.235 186 V C 1.035 177.166 176.094 0.061 0.000 1.044 186 V CA 0.838 63.149 62.300 0.018 0.000 1.007 186 V CB -0.401 31.384 31.823 -0.063 0.000 0.647 186 V HN 0.594 nan 8.190 nan 0.000 0.462 187 N N -0.501 118.221 118.700 0.037 0.000 2.477 187 N HA 0.187 4.922 4.740 -0.009 0.000 0.284 187 N C 1.365 176.908 175.510 0.054 0.000 1.353 187 N CA -0.187 52.897 53.050 0.057 0.000 0.907 187 N CB -0.050 38.462 38.487 0.042 0.000 1.096 187 N HN 0.061 nan 8.380 nan 0.000 0.479 188 K N 0.490 120.917 120.400 0.045 0.000 2.020 188 K HA 0.107 4.421 4.320 -0.009 0.000 0.206 188 K C 0.343 176.956 176.600 0.022 0.000 1.038 188 K CA 0.565 56.875 56.287 0.037 0.000 0.947 188 K CB -0.132 32.387 32.500 0.032 0.000 0.744 188 K HN 0.215 nan 8.250 nan 0.000 0.442 189 R N 2.000 122.522 120.500 0.036 0.000 2.490 189 R HA 0.035 4.369 4.340 -0.009 0.000 0.280 189 R C -0.453 175.850 176.300 0.004 0.000 1.077 189 R CA 0.139 56.257 56.100 0.029 0.000 1.065 189 R CB 0.679 31.012 30.300 0.054 0.000 1.003 189 R HN 0.016 nan 8.270 nan 0.000 0.470 190 K N 3.397 123.756 120.400 -0.069 0.000 2.180 190 K HA 0.335 4.649 4.320 -0.009 0.000 0.251 190 K C -0.572 175.987 176.600 -0.068 0.000 1.014 190 K CA -0.116 56.035 56.287 -0.226 0.000 0.913 190 K CB 0.436 32.852 32.500 -0.141 0.000 1.008 190 K HN 0.464 nan 8.250 nan 0.000 0.490 191 F N -3.438 116.491 119.950 -0.035 0.000 2.773 191 F HA 0.428 4.949 4.527 -0.009 0.000 0.314 191 F C -3.108 172.667 175.800 -0.041 0.000 1.160 191 F CA -3.150 54.815 58.000 -0.058 0.000 0.920 191 F CB 0.196 39.136 39.000 -0.099 0.000 1.323 191 F HN 0.218 nan 8.300 nan 0.000 0.457 192 P HA 0.032 nan 4.420 nan 0.000 0.265 192 P C 0.815 178.208 177.300 0.155 0.000 1.193 192 P CA -0.242 62.944 63.100 0.144 0.000 0.765 192 P CB 0.665 32.448 31.700 0.139 0.000 0.823 193 L N 4.776 126.030 121.223 0.053 0.000 2.353 193 L HA -0.102 4.232 4.340 -0.009 0.000 0.220 193 L C 1.345 178.238 176.870 0.039 0.000 1.133 193 L CA 1.806 56.662 54.840 0.026 0.000 0.798 193 L CB -0.675 41.407 42.059 0.038 0.000 0.922 193 L HN 0.123 nan 8.230 nan 0.000 0.445 194 V N -0.480 119.476 119.914 0.070 0.000 2.323 194 V HA -0.224 3.890 4.120 -0.009 0.000 0.244 194 V C 2.513 178.645 176.094 0.064 0.000 1.041 194 V CA 1.116 63.457 62.300 0.067 0.000 1.025 194 V CB -0.866 31.009 31.823 0.086 0.000 0.656 194 V HN 0.399 nan 8.190 nan 0.000 0.451 195 L N 0.250 121.523 121.223 0.083 0.000 2.127 195 L HA -0.149 4.186 4.340 -0.009 0.000 0.211 195 L C 2.125 178.972 176.870 -0.039 0.000 1.089 195 L CA 1.860 56.712 54.840 0.019 0.000 0.757 195 L CB -0.722 41.319 42.059 -0.031 0.000 0.899 195 L HN 0.362 nan 8.230 nan 0.000 0.434 196 L N -1.780 119.433 121.223 -0.018 0.000 2.049 196 L HA -0.103 4.232 4.340 -0.009 0.000 0.203 196 L C 2.370 179.165 176.870 -0.124 0.000 1.074 196 L CA 1.156 55.911 54.840 -0.141 0.000 0.749 196 L CB -0.218 41.674 42.059 -0.278 0.000 0.907 196 L HN 0.234 nan 8.230 nan 0.000 0.439 197 L N -0.295 120.900 121.223 -0.046 0.000 2.083 197 L HA -0.186 4.149 4.340 -0.009 0.000 0.209 197 L C 2.880 179.798 176.870 0.080 0.000 1.083 197 L CA 0.711 55.595 54.840 0.074 0.000 0.752 197 L CB -0.591 41.558 42.059 0.149 0.000 0.899 197 L HN 0.322 nan 8.230 nan 0.000 0.433 198 R N 0.099 120.627 120.500 0.048 0.000 2.083 198 R HA -0.141 4.193 4.340 -0.009 0.000 0.237 198 R C 2.151 178.452 176.300 0.003 0.000 1.137 198 R CA 1.430 57.554 56.100 0.040 0.000 0.951 198 R CB -0.839 29.485 30.300 0.040 0.000 0.851 198 R HN 0.196 nan 8.270 nan 0.000 0.434 199 V N 1.422 121.317 119.914 -0.032 0.000 2.255 199 V HA -0.276 3.839 4.120 -0.009 0.000 0.247 199 V C 2.520 178.594 176.094 -0.034 0.000 1.051 199 V CA 1.889 64.156 62.300 -0.054 0.000 1.018 199 V CB -0.502 31.250 31.823 -0.117 0.000 0.641 199 V HN 0.234 nan 8.190 nan 0.000 0.445 200 L N -0.231 120.973 121.223 -0.033 0.000 2.131 200 L HA 0.043 4.378 4.340 -0.009 0.000 0.210 200 L C 1.921 178.755 176.870 -0.060 0.000 1.092 200 L CA 1.700 56.537 54.840 -0.005 0.000 0.759 200 L CB -0.439 41.631 42.059 0.017 0.000 0.903 200 L HN 0.590 nan 8.230 nan 0.000 0.435 201 G N -3.487 105.271 108.800 -0.070 0.000 2.813 201 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.194 201 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.194 201 G C -0.166 174.685 174.900 -0.082 0.000 1.010 201 G CA -0.667 44.372 45.100 -0.101 0.000 0.771 201 G HN -0.000 nan 8.290 nan 0.000 0.485 202 Y N 4.049 124.357 120.300 0.013 0.000 2.828 202 Y HA 0.321 4.865 4.550 -0.009 0.000 0.364 202 Y C 1.008 176.910 175.900 0.003 0.000 1.277 202 Y CA -0.193 57.911 58.100 0.006 0.000 1.713 202 Y CB -0.535 37.925 38.460 -0.001 0.000 1.278 202 Y HN 0.458 nan 8.280 nan 0.000 0.502 203 D N 0.459 120.971 120.400 0.187 0.000 2.357 203 D HA 0.044 4.678 4.640 -0.009 0.000 0.242 203 D C 0.937 177.295 176.300 0.098 0.000 1.153 203 D CA -0.494 53.572 54.000 0.110 0.000 0.918 203 D CB 0.774 41.619 40.800 0.075 0.000 1.181 203 D HN 0.496 nan 8.370 nan 0.000 0.435 204 Q N 0.255 120.094 119.800 0.065 0.000 2.029 204 Q HA -0.305 4.030 4.340 -0.009 0.000 0.209 204 Q C 1.973 177.992 176.000 0.033 0.000 0.999 204 Q CA 2.244 58.074 55.803 0.046 0.000 0.857 204 Q CB -0.206 28.555 28.738 0.040 0.000 0.926 204 Q HN 0.816 nan 8.270 nan 0.000 0.415 205 E N -0.409 119.811 120.200 0.034 0.000 2.031 205 E HA -0.197 4.147 4.350 -0.009 0.000 0.193 205 E C 2.028 178.643 176.600 0.025 0.000 0.994 205 E CA 1.712 58.127 56.400 0.025 0.000 0.800 205 E CB -0.603 29.113 29.700 0.026 0.000 0.752 205 E HN 0.092 nan 8.360 nan 0.000 0.447 206 T N 0.494 115.078 114.554 0.049 0.000 2.720 206 T HA -0.127 4.217 4.350 -0.009 0.000 0.268 206 T C 1.802 176.505 174.700 0.004 0.000 1.037 206 T CA 1.303 63.439 62.100 0.060 0.000 1.144 206 T CB -0.303 68.648 68.868 0.137 0.000 0.864 206 T HN 0.199 nan 8.240 nan 0.000 0.444 207 L N 0.320 121.535 121.223 -0.014 0.000 1.955 207 L HA -0.084 4.251 4.340 -0.009 0.000 0.213 207 L C 2.946 179.731 176.870 -0.142 0.000 1.072 207 L CA 1.701 56.455 54.840 -0.144 0.000 0.755 207 L CB -0.722 41.279 42.059 -0.096 0.000 0.888 207 L HN 0.327 nan 8.230 nan 0.000 0.432 208 A N -0.085 122.694 122.820 -0.069 0.000 1.884 208 A HA -0.309 4.006 4.320 -0.009 0.000 0.219 208 A C 2.226 179.775 177.584 -0.059 0.000 1.197 208 A CA 2.458 54.470 52.037 -0.042 0.000 0.637 208 A CB -0.610 18.390 19.000 -0.001 0.000 0.827 208 A HN 0.426 nan 8.150 nan 0.000 0.450 209 R N -0.618 119.855 120.500 -0.045 0.000 2.127 209 R HA 0.063 4.398 4.340 -0.009 0.000 0.217 209 R C 2.098 178.366 176.300 -0.053 0.000 1.074 209 R CA 1.255 57.333 56.100 -0.037 0.000 0.991 209 R CB -0.116 30.178 30.300 -0.010 0.000 0.895 209 R HN 0.650 nan 8.270 nan 0.000 0.450 210 E N 0.128 120.288 120.200 -0.066 0.000 2.140 210 E HA -0.068 4.276 4.350 -0.009 0.000 0.191 210 E C 1.818 178.347 176.600 -0.118 0.000 0.973 210 E CA 0.729 57.094 56.400 -0.059 0.000 0.829 210 E CB 0.123 29.803 29.700 -0.032 0.000 0.781 210 E HN 0.214 nan 8.360 nan 0.000 0.466 211 L N -0.700 120.392 121.223 -0.218 0.000 2.168 211 L HA 0.219 4.553 4.340 -0.009 0.000 0.203 211 L C 1.154 177.713 176.870 -0.519 0.000 1.078 211 L CA 1.434 56.081 54.840 -0.321 0.000 0.780 211 L CB 0.460 42.273 42.059 -0.411 0.000 0.939 211 L HN -0.007 nan 8.230 nan 0.000 0.451 212 G N -1.182 107.385 108.800 -0.388 0.000 4.566 212 G HA2 0.532 4.486 3.960 -0.009 0.000 0.307 212 G HA3 0.532 4.486 3.960 -0.009 0.000 0.307 212 G C 0.315 175.105 174.900 -0.183 0.000 1.383 212 G CA 0.253 45.154 45.100 -0.333 0.000 0.910 212 G HN 0.410 nan 8.290 nan 0.000 0.538 213 A N 0.825 123.513 122.820 -0.218 0.000 1.956 213 A HA 0.213 4.528 4.320 -0.009 0.000 0.212 213 A C 1.869 179.457 177.584 0.007 0.000 1.188 213 A CA 1.252 53.256 52.037 -0.056 0.000 0.675 213 A CB -0.386 18.610 19.000 -0.007 0.000 0.845 213 A HN 0.838 nan 8.150 nan 0.000 0.455 214 Y N -0.370 119.955 120.300 0.041 0.000 2.509 214 Y HA 0.364 4.908 4.550 -0.009 0.000 0.293 214 Y C 0.883 176.802 175.900 0.031 0.000 1.133 214 Y CA -0.424 57.691 58.100 0.025 0.000 1.283 214 Y CB -0.919 37.550 38.460 0.015 0.000 1.001 214 Y HN 0.118 nan 8.280 nan 0.000 0.555 215 G N 2.139 110.915 108.800 -0.041 0.000 2.605 215 G HA2 0.301 4.256 3.960 -0.009 0.000 0.304 215 G HA3 0.301 4.256 3.960 -0.009 0.000 0.304 215 G C 0.419 175.270 174.900 -0.081 0.000 1.333 215 G CA -0.351 44.752 45.100 0.004 0.000 0.973 215 G HN 0.314 nan 8.290 nan 0.000 0.507 216 E N 3.451 123.569 120.200 -0.136 0.000 2.110 216 E HA -0.193 4.151 4.350 -0.009 0.000 0.193 216 E C 1.980 178.450 176.600 -0.218 0.000 0.988 216 E CA 0.670 56.990 56.400 -0.134 0.000 0.804 216 E CB -0.430 29.202 29.700 -0.113 0.000 0.745 216 E HN 0.633 nan 8.360 nan 0.000 0.458 217 L N 1.150 122.061 121.223 -0.519 0.000 2.468 217 L HA -0.161 4.174 4.340 -0.009 0.000 0.225 217 L C 2.551 179.274 176.870 -0.244 0.000 1.139 217 L CA 0.540 54.973 54.840 -0.678 0.000 0.792 217 L CB -0.940 40.223 42.059 -1.494 0.000 0.916 217 L HN -0.059 nan 8.230 nan 0.000 0.446 218 V N 0.184 120.152 119.914 0.089 0.000 2.453 218 V HA -0.325 3.789 4.120 -0.009 0.000 0.252 218 V C 2.604 178.783 176.094 0.141 0.000 1.068 218 V CA 1.949 64.445 62.300 0.327 0.000 1.070 218 V CB -0.419 31.528 31.823 0.208 0.000 0.664 218 V HN 0.619 nan 8.190 nan 0.000 0.461 219 Q N -0.411 119.418 119.800 0.050 0.000 2.181 219 Q HA -0.155 4.179 4.340 -0.009 0.000 0.205 219 Q C 2.260 178.287 176.000 0.045 0.000 0.980 219 Q CA 1.539 57.360 55.803 0.030 0.000 0.862 219 Q CB -0.466 28.269 28.738 -0.004 0.000 0.905 219 Q HN 0.717 nan 8.270 nan 0.000 0.429 220 G N 0.713 109.546 108.800 0.054 0.000 2.534 220 G HA2 -0.138 3.816 3.960 -0.009 0.000 0.217 220 G HA3 -0.138 3.816 3.960 -0.009 0.000 0.217 220 G C 1.336 176.299 174.900 0.105 0.000 1.128 220 G CA 0.295 45.436 45.100 0.068 0.000 0.784 220 G HN 0.252 nan 8.290 nan 0.000 0.542 221 L N 0.325 121.630 121.223 0.136 0.000 2.084 221 L HA 0.260 4.594 4.340 -0.009 0.000 0.202 221 L C 2.541 179.461 176.870 0.085 0.000 1.074 221 L CA 1.528 56.438 54.840 0.117 0.000 0.757 221 L CB -0.424 41.708 42.059 0.121 0.000 0.918 221 L HN 0.245 nan 8.230 nan 0.000 0.444 222 M N -1.120 118.523 119.600 0.072 0.000 2.659 222 M HA 0.029 4.504 4.480 -0.009 0.000 0.243 222 M C 1.164 177.497 176.300 0.055 0.000 1.111 222 M CA 0.368 55.702 55.300 0.056 0.000 1.070 222 M CB -0.695 31.930 32.600 0.041 0.000 1.525 222 M HN 0.161 nan 8.290 nan 0.000 0.517 223 D N 1.940 122.378 120.400 0.064 0.000 2.108 223 D HA -0.110 4.524 4.640 -0.009 0.000 0.190 223 D C 0.986 177.325 176.300 0.066 0.000 0.995 223 D CA 1.309 55.344 54.000 0.059 0.000 0.834 223 D CB 0.028 40.866 40.800 0.064 0.000 0.967 223 D HN 0.223 nan 8.370 nan 0.000 0.446 224 E N 0.646 120.913 120.200 0.111 0.000 1.892 224 E HA 0.062 4.406 4.350 -0.009 0.000 0.271 224 E C 1.055 177.709 176.600 0.090 0.000 1.146 224 E CA -0.097 56.385 56.400 0.137 0.000 1.096 224 E CB 0.246 30.140 29.700 0.324 0.000 1.155 224 E HN 0.206 nan 8.360 nan 0.000 0.458 225 S N 0.328 116.030 115.700 0.003 0.000 2.383 225 S HA -0.202 4.262 4.470 -0.009 0.000 0.229 225 S C 2.040 176.575 174.600 -0.109 0.000 1.030 225 S CA 1.147 59.332 58.200 -0.026 0.000 1.002 225 S CB -0.443 62.738 63.200 -0.032 0.000 0.829 225 S HN 0.339 nan 8.310 nan 0.000 0.467 226 V N 1.163 120.910 119.914 -0.277 0.000 2.317 226 V HA -0.220 3.894 4.120 -0.009 0.000 0.251 226 V C 1.909 177.743 176.094 -0.434 0.000 1.065 226 V CA 2.211 64.237 62.300 -0.455 0.000 1.049 226 V CB -0.815 30.544 31.823 -0.773 0.000 0.651 226 V HN 0.614 nan 8.190 nan 0.000 0.450 227 F N 0.417 120.371 119.950 0.006 0.000 2.473 227 F HA 0.330 4.851 4.527 -0.009 0.000 0.294 227 F C 2.395 178.196 175.800 0.002 0.000 1.103 227 F CA 0.792 58.792 58.000 0.001 0.000 1.442 227 F CB -0.709 38.291 39.000 0.001 0.000 1.097 227 F HN 0.205 nan 8.300 nan 0.000 0.547 228 A N -0.152 122.762 122.820 0.156 0.000 2.172 228 A HA -0.081 4.233 4.320 -0.009 0.000 0.216 228 A C 1.902 179.520 177.584 0.056 0.000 1.154 228 A CA 1.004 53.101 52.037 0.101 0.000 0.701 228 A CB -0.739 18.311 19.000 0.083 0.000 0.789 228 A HN 0.368 nan 8.150 nan 0.000 0.465 229 M N 0.188 119.806 119.600 0.030 0.000 2.618 229 M HA 0.047 4.521 4.480 -0.009 0.000 0.240 229 M C 0.518 176.830 176.300 0.021 0.000 1.123 229 M CA 0.496 55.803 55.300 0.012 0.000 1.060 229 M CB 0.371 32.962 32.600 -0.016 0.000 1.535 229 M HN 0.366 nan 8.290 nan 0.000 0.507 230 R N -1.222 119.302 120.500 0.040 0.000 2.473 230 R HA 0.450 4.784 4.340 -0.009 0.000 0.303 230 R C -3.065 173.259 176.300 0.040 0.000 1.002 230 R CA -1.625 54.497 56.100 0.037 0.000 0.884 230 R CB 0.027 30.352 30.300 0.041 0.000 1.173 230 R HN -0.068 nan 8.270 nan 0.000 0.464 231 P HA -0.186 nan 4.420 nan 0.000 0.203 231 P C 0.973 178.277 177.300 0.007 0.000 0.968 231 P CA 0.712 63.822 63.100 0.015 0.000 0.904 231 P CB 0.159 31.866 31.700 0.011 0.000 0.646 232 E N -0.535 119.668 120.200 0.006 0.000 2.267 232 E HA -0.245 4.099 4.350 -0.009 0.000 0.197 232 E C 1.867 178.466 176.600 -0.002 0.000 0.998 232 E CA 0.710 57.112 56.400 0.003 0.000 0.830 232 E CB -0.191 29.513 29.700 0.008 0.000 0.751 232 E HN 0.121 nan 8.360 nan 0.000 0.491 233 E N 0.066 120.269 120.200 0.004 0.000 2.274 233 E HA -0.084 4.260 4.350 -0.009 0.000 0.194 233 E C 1.628 178.229 176.600 0.000 0.000 0.996 233 E CA 0.781 57.184 56.400 0.005 0.000 0.840 233 E CB 0.053 29.763 29.700 0.018 0.000 0.772 233 E HN 0.337 nan 8.360 nan 0.000 0.491 234 A N 0.578 123.395 122.820 -0.004 0.000 2.066 234 A HA -0.069 4.246 4.320 -0.009 0.000 0.218 234 A C 2.258 179.798 177.584 -0.073 0.000 1.157 234 A CA 0.576 52.594 52.037 -0.031 0.000 0.670 234 A CB -0.414 18.575 19.000 -0.019 0.000 0.804 234 A HN 0.300 nan 8.150 nan 0.000 0.453 235 L N -0.409 120.785 121.223 -0.049 0.000 2.027 235 L HA -0.105 4.229 4.340 -0.009 0.000 0.206 235 L C 2.324 179.207 176.870 0.022 0.000 1.074 235 L CA 1.443 56.255 54.840 -0.047 0.000 0.745 235 L CB -0.199 41.842 42.059 -0.030 0.000 0.898 235 L HN 0.419 nan 8.230 nan 0.000 0.433 236 I N -1.196 119.387 120.570 0.022 0.000 2.315 236 I HA -0.253 3.912 4.170 -0.009 0.000 0.248 236 I C 2.606 178.739 176.117 0.026 0.000 1.117 236 I CA 0.639 61.957 61.300 0.031 0.000 1.404 236 I CB -0.259 37.719 38.000 -0.037 0.000 1.071 236 I HN 0.172 nan 8.210 nan 0.000 0.419 237 R N 1.145 121.626 120.500 -0.031 0.000 2.091 237 R HA -0.129 4.205 4.340 -0.009 0.000 0.238 237 R C 2.221 178.435 176.300 -0.144 0.000 1.136 237 R CA 1.530 57.581 56.100 -0.083 0.000 0.959 237 R CB -0.604 29.630 30.300 -0.109 0.000 0.856 237 R HN 0.280 nan 8.270 nan 0.000 0.437 238 L N -0.926 120.175 121.223 -0.202 0.000 2.017 238 L HA -0.158 4.177 4.340 -0.009 0.000 0.208 238 L C 1.911 178.658 176.870 -0.205 0.000 1.073 238 L CA 1.116 55.735 54.840 -0.369 0.000 0.745 238 L CB -0.356 41.400 42.059 -0.506 0.000 0.894 238 L HN 0.192 nan 8.230 nan 0.000 0.432 239 F N 0.568 120.399 119.950 -0.199 0.000 2.087 239 F HA -0.361 4.161 4.527 -0.009 0.000 0.299 239 F C 2.548 178.287 175.800 -0.103 0.000 1.100 239 F CA 2.308 60.239 58.000 -0.116 0.000 1.226 239 F CB -0.761 38.191 39.000 -0.079 0.000 0.983 239 F HN 0.061 nan 8.300 nan 0.000 0.479 240 T N 0.756 115.401 114.554 0.152 0.000 2.720 240 T HA -0.229 4.116 4.350 -0.009 0.000 0.268 240 T C 2.140 176.840 174.700 0.000 0.000 1.037 240 T CA 1.765 63.897 62.100 0.052 0.000 1.144 240 T CB -0.592 68.270 68.868 -0.010 0.000 0.864 240 T HN 0.206 nan 8.240 nan 0.000 0.444 241 L N -0.148 121.029 121.223 -0.075 0.000 2.141 241 L HA 0.017 4.351 4.340 -0.009 0.000 0.209 241 L C 0.822 177.666 176.870 -0.044 0.000 1.094 241 L CA 0.246 55.030 54.840 -0.093 0.000 0.763 241 L CB -0.568 41.366 42.059 -0.208 0.000 0.908 241 L HN 0.170 nan 8.230 nan 0.000 0.437 242 L N -0.367 120.827 121.223 -0.049 0.000 2.470 242 L HA 0.171 4.505 4.340 -0.009 0.000 0.243 242 L C 0.339 177.225 176.870 0.028 0.000 1.227 242 L CA 0.444 55.273 54.840 -0.019 0.000 0.824 242 L CB 0.275 42.289 42.059 -0.075 0.000 1.175 242 L HN 0.220 nan 8.230 nan 0.000 0.503 243 R N -0.731 119.792 120.500 0.038 0.000 2.522 243 R HA 0.690 5.024 4.340 -0.009 0.000 0.273 243 R C -2.755 173.577 176.300 0.052 0.000 1.133 243 R CA -0.732 55.398 56.100 0.049 0.000 0.969 243 R CB 0.580 30.902 30.300 0.036 0.000 1.235 243 R HN 0.438 nan 8.270 nan 0.000 0.433 244 P HA 0.407 nan 4.420 nan 0.000 0.534 244 P C -0.154 177.174 177.300 0.047 0.000 0.783 244 P CA 0.636 63.769 63.100 0.056 0.000 2.504 244 P CB 1.169 32.914 31.700 0.074 0.000 1.141 245 G N 0.177 109.009 108.800 0.055 0.000 2.215 245 G HA2 -0.080 3.874 3.960 -0.009 0.000 0.187 245 G HA3 -0.080 3.874 3.960 -0.009 0.000 0.187 245 G C -0.573 174.347 174.900 0.033 0.000 1.039 245 G CA -0.404 44.719 45.100 0.038 0.000 0.771 245 G HN 0.201 nan 8.290 nan 0.000 0.507 246 D N 1.044 121.479 120.400 0.060 0.000 2.405 246 D HA 0.216 4.850 4.640 -0.009 0.000 0.232 246 D C -1.834 174.436 176.300 -0.049 0.000 1.240 246 D CA 0.099 54.127 54.000 0.047 0.000 0.881 246 D CB 0.305 41.203 40.800 0.162 0.000 1.222 246 D HN 0.125 nan 8.370 nan 0.000 0.482 247 P HA 0.107 nan 4.420 nan 0.000 0.262 247 P C -2.050 175.056 177.300 -0.323 0.000 1.199 247 P CA -0.702 62.299 63.100 -0.165 0.000 0.763 247 P CB 0.156 31.775 31.700 -0.135 0.000 0.790 248 P HA -0.034 nan 4.420 nan 0.000 0.252 248 P C -0.268 176.851 177.300 -0.301 0.000 1.265 248 P CA 0.828 63.765 63.100 -0.272 0.000 0.775 248 P CB -0.120 31.495 31.700 -0.141 0.000 1.128 249 K N -1.273 118.935 120.400 -0.320 0.000 3.301 249 K HA 0.331 4.645 4.320 -0.009 0.000 0.170 249 K C -0.372 176.107 176.600 -0.200 0.000 1.061 249 K CA -0.575 55.577 56.287 -0.226 0.000 0.807 249 K CB 0.745 33.170 32.500 -0.125 0.000 0.889 249 K HN -0.198 nan 8.250 nan 0.000 0.564 250 R N 1.251 121.580 120.500 -0.285 0.000 2.215 250 R HA 0.112 4.447 4.340 -0.009 0.000 0.336 250 R C -0.219 176.084 176.300 0.004 0.000 0.996 250 R CA -0.165 55.888 56.100 -0.079 0.000 0.847 250 R CB 0.836 31.152 30.300 0.028 0.000 1.127 250 R HN 0.401 nan 8.270 nan 0.000 0.465 251 D N 2.560 122.971 120.400 0.018 0.000 2.156 251 D HA -0.209 4.425 4.640 -0.009 0.000 0.190 251 D C 0.185 176.500 176.300 0.025 0.000 0.998 251 D CA 1.956 55.968 54.000 0.020 0.000 0.842 251 D CB 0.364 41.179 40.800 0.026 0.000 0.974 251 D HN 0.394 nan 8.370 nan 0.000 0.447 252 K N -1.182 119.202 120.400 -0.026 0.000 2.734 252 K HA 0.464 4.778 4.320 -0.009 0.000 0.200 252 K C 0.474 176.839 176.600 -0.392 0.000 1.120 252 K CA -0.081 56.114 56.287 -0.153 0.000 1.067 252 K CB 1.584 33.912 32.500 -0.286 0.000 0.771 252 K HN 0.022 nan 8.250 nan 0.000 0.481 253 A N 0.619 123.438 122.820 -0.001 0.000 1.824 253 A HA -0.094 4.221 4.320 -0.009 0.000 0.215 253 A C 1.925 179.640 177.584 0.218 0.000 1.209 253 A CA 1.549 53.715 52.037 0.216 0.000 0.614 253 A CB -0.587 18.580 19.000 0.279 0.000 0.852 253 A HN 0.129 nan 8.150 nan 0.000 0.447 254 V N -0.530 119.459 119.914 0.126 0.000 3.235 254 V HA 0.105 4.219 4.120 -0.009 0.000 0.259 254 V C 2.633 178.618 176.094 -0.182 0.000 1.133 254 V CA 1.189 63.446 62.300 -0.072 0.000 1.128 254 V CB -0.184 31.486 31.823 -0.254 0.000 0.757 254 V HN 0.615 nan 8.190 nan 0.000 0.469 255 A N -1.323 121.419 122.820 -0.129 0.000 2.121 255 A HA -0.171 4.143 4.320 -0.009 0.000 0.218 255 A C 1.904 179.427 177.584 -0.102 0.000 1.154 255 A CA 1.140 53.022 52.037 -0.259 0.000 0.679 255 A CB -0.567 17.989 19.000 -0.741 0.000 0.795 255 A HN 0.567 nan 8.150 nan 0.000 0.458 256 Y N 0.457 120.827 120.300 0.117 0.000 2.128 256 Y HA -0.221 4.323 4.550 -0.009 0.000 0.284 256 Y C 2.654 178.565 175.900 0.018 0.000 1.154 256 Y CA 1.515 59.786 58.100 0.285 0.000 1.149 256 Y CB -0.736 37.813 38.460 0.148 0.000 0.976 256 Y HN 0.178 nan 8.280 nan 0.000 0.505 257 V N -1.624 118.210 119.914 -0.134 0.000 2.295 257 V HA -0.311 3.804 4.120 -0.009 0.000 0.246 257 V C 1.679 177.580 176.094 -0.322 0.000 1.049 257 V CA 1.892 63.976 62.300 -0.360 0.000 1.024 257 V CB -1.471 29.969 31.823 -0.638 0.000 0.648 257 V HN 0.399 nan 8.190 nan 0.000 0.447 258 Y N 1.513 121.902 120.300 0.148 0.000 2.578 258 Y HA 0.346 4.891 4.550 -0.009 0.000 0.297 258 Y C 2.157 178.186 175.900 0.216 0.000 1.176 258 Y CA 0.208 58.401 58.100 0.155 0.000 1.315 258 Y CB -0.681 37.862 38.460 0.138 0.000 1.031 258 Y HN 0.267 nan 8.280 nan 0.000 0.524 259 G N 0.398 109.357 108.800 0.265 0.000 2.908 259 G HA2 0.021 3.975 3.960 -0.009 0.000 0.188 259 G HA3 0.021 3.975 3.960 -0.009 0.000 0.188 259 G C 0.975 176.021 174.900 0.243 0.000 1.903 259 G CA 0.354 45.695 45.100 0.402 0.000 0.883 259 G HN 0.214 nan 8.290 nan 0.000 0.515 260 L N 0.104 121.443 121.223 0.192 0.000 2.121 260 L HA 0.362 4.697 4.340 -0.009 0.000 0.200 260 L C 2.525 179.403 176.870 0.013 0.000 1.077 260 L CA 1.175 56.064 54.840 0.081 0.000 0.766 260 L CB -0.477 41.596 42.059 0.023 0.000 0.931 260 L HN 0.424 nan 8.230 nan 0.000 0.452 261 I N -0.472 120.073 120.570 -0.042 0.000 2.641 261 I HA 0.068 4.232 4.170 -0.009 0.000 0.232 261 I C 2.354 178.456 176.117 -0.025 0.000 1.060 261 I CA 0.899 62.161 61.300 -0.062 0.000 1.417 261 I CB -0.906 37.012 38.000 -0.136 0.000 1.227 261 I HN 0.197 nan 8.210 nan 0.000 0.434 262 A N 0.326 123.127 122.820 -0.031 0.000 1.956 262 A HA -0.055 4.260 4.320 -0.009 0.000 0.212 262 A C 1.760 179.355 177.584 0.019 0.000 1.188 262 A CA 1.108 53.141 52.037 -0.008 0.000 0.675 262 A CB -0.478 18.509 19.000 -0.023 0.000 0.845 262 A HN 0.381 nan 8.150 nan 0.000 0.455 263 D N 0.367 120.781 120.400 0.024 0.000 2.084 263 D HA -0.047 4.587 4.640 -0.009 0.000 0.196 263 D C -0.558 175.785 176.300 0.073 0.000 0.985 263 D CA 1.441 55.476 54.000 0.058 0.000 0.826 263 D CB -1.570 39.280 40.800 0.084 0.000 0.978 263 D HN 0.268 nan 8.370 nan 0.000 0.456 264 P HA -0.115 nan 4.420 nan 0.000 0.212 264 P C 0.066 177.389 177.300 0.038 0.000 1.180 264 P CA 0.686 63.826 63.100 0.066 0.000 0.906 264 P CB -0.051 31.695 31.700 0.077 0.000 0.782 265 R N 1.175 121.699 120.500 0.041 0.000 3.958 265 R HA -0.187 4.147 4.340 -0.009 0.000 0.186 265 R C -0.678 175.628 176.300 0.010 0.000 0.520 265 R CA 0.460 56.585 56.100 0.042 0.000 0.917 265 R CB -0.200 30.139 30.300 0.065 0.000 1.014 265 R HN 0.016 nan 8.270 nan 0.000 0.296 266 R N 4.928 125.428 120.500 0.001 0.000 2.438 266 R HA 0.058 4.392 4.340 -0.009 0.000 0.287 266 R C 0.640 176.956 176.300 0.026 0.000 1.077 266 R CA -0.081 55.984 56.100 -0.058 0.000 1.034 266 R CB 0.141 30.437 30.300 -0.007 0.000 0.993 266 R HN 0.575 nan 8.270 nan 0.000 0.459 267 Y N 0.357 120.684 120.300 0.044 0.000 1.967 267 Y HA -0.345 4.200 4.550 -0.009 0.000 0.255 267 Y C 0.523 176.440 175.900 0.030 0.000 1.197 267 Y CA 1.114 59.233 58.100 0.031 0.000 1.088 267 Y CB 0.042 38.517 38.460 0.025 0.000 0.917 267 Y HN 0.457 nan 8.280 nan 0.000 0.497 268 D N 0.030 120.554 120.400 0.208 0.000 2.256 268 D HA 0.304 4.939 4.640 -0.009 0.000 0.246 268 D C -0.733 175.624 176.300 0.096 0.000 1.042 268 D CA -0.433 53.644 54.000 0.128 0.000 0.841 268 D CB 1.837 42.700 40.800 0.105 0.000 1.223 268 D HN 0.041 nan 8.370 nan 0.000 0.470 269 L N 1.956 123.227 121.223 0.080 0.000 2.615 269 L HA 0.218 4.552 4.340 -0.009 0.000 0.271 269 L C 1.610 178.520 176.870 0.067 0.000 1.183 269 L CA 0.512 55.393 54.840 0.069 0.000 0.933 269 L CB -0.166 41.929 42.059 0.060 0.000 1.199 269 L HN 0.833 nan 8.230 nan 0.000 0.487 270 G N 2.421 111.265 108.800 0.072 0.000 2.882 270 G HA2 -0.187 3.767 3.960 -0.009 0.000 0.198 270 G HA3 -0.187 3.767 3.960 -0.009 0.000 0.198 270 G C 0.743 175.701 174.900 0.096 0.000 1.977 270 G CA -0.227 44.918 45.100 0.075 0.000 1.541 270 G HN 0.493 nan 8.290 nan 0.000 0.567 271 E N 0.937 121.194 120.200 0.094 0.000 2.490 271 E HA 0.464 4.809 4.350 -0.009 0.000 0.209 271 E C 2.385 179.068 176.600 0.139 0.000 0.971 271 E CA 0.851 57.321 56.400 0.116 0.000 0.988 271 E CB 0.937 30.670 29.700 0.055 0.000 1.029 271 E HN 0.557 nan 8.360 nan 0.000 0.496 272 A N 0.857 123.746 122.820 0.116 0.000 1.832 272 A HA -0.010 4.304 4.320 -0.009 0.000 0.214 272 A C 2.188 179.882 177.584 0.183 0.000 1.200 272 A CA 2.032 54.139 52.037 0.117 0.000 0.610 272 A CB -0.779 18.277 19.000 0.093 0.000 0.842 272 A HN 0.279 nan 8.150 nan 0.000 0.444 273 G N -1.707 107.174 108.800 0.136 0.000 2.641 273 G HA2 0.017 3.971 3.960 -0.009 0.000 0.207 273 G HA3 0.017 3.971 3.960 -0.009 0.000 0.207 273 G C 1.627 176.580 174.900 0.089 0.000 1.137 273 G CA 0.685 45.851 45.100 0.110 0.000 0.824 273 G HN 0.473 nan 8.290 nan 0.000 0.547 274 R N -0.405 120.146 120.500 0.085 0.000 2.133 274 R HA -0.227 4.108 4.340 -0.009 0.000 0.247 274 R C 2.191 178.535 176.300 0.073 0.000 1.151 274 R CA 1.952 58.086 56.100 0.056 0.000 0.971 274 R CB -0.586 29.755 30.300 0.068 0.000 0.866 274 R HN 0.452 nan 8.270 nan 0.000 0.447 275 Y N 1.355 121.680 120.300 0.041 0.000 2.128 275 Y HA -0.263 4.281 4.550 -0.009 0.000 0.284 275 Y C 1.699 177.599 175.900 -0.000 0.000 1.154 275 Y CA 2.131 60.261 58.100 0.050 0.000 1.149 275 Y CB -0.202 38.335 38.460 0.128 0.000 0.976 275 Y HN -0.031 nan 8.280 nan 0.000 0.505 276 K N 0.726 121.001 120.400 -0.208 0.000 2.032 276 K HA -0.138 4.176 4.320 -0.009 0.000 0.209 276 K C 2.460 178.829 176.600 -0.385 0.000 1.048 276 K CA 1.639 57.684 56.287 -0.403 0.000 0.927 276 K CB -0.680 31.720 32.500 -0.167 0.000 0.712 276 K HN 0.457 nan 8.250 nan 0.000 0.441 277 A N 1.028 123.695 122.820 -0.254 0.000 1.855 277 A HA -0.230 4.084 4.320 -0.009 0.000 0.215 277 A C 2.188 179.626 177.584 -0.242 0.000 1.191 277 A CA 1.784 53.669 52.037 -0.252 0.000 0.613 277 A CB -0.569 18.330 19.000 -0.168 0.000 0.829 277 A HN 0.401 nan 8.150 nan 0.000 0.442 278 E N -0.103 119.991 120.200 -0.177 0.000 2.077 278 E HA -0.259 4.085 4.350 -0.009 0.000 0.193 278 E C 1.975 178.469 176.600 -0.178 0.000 0.989 278 E CA 1.551 57.871 56.400 -0.134 0.000 0.800 278 E CB -0.108 29.562 29.700 -0.050 0.000 0.746 278 E HN 0.839 nan 8.360 nan 0.000 0.452 279 E N 0.236 120.265 120.200 -0.286 0.000 2.216 279 E HA -0.146 4.199 4.350 -0.009 0.000 0.192 279 E C 1.673 178.114 176.600 -0.266 0.000 0.988 279 E CA 1.127 57.356 56.400 -0.285 0.000 0.834 279 E CB 0.111 29.527 29.700 -0.475 0.000 0.772 279 E HN 0.121 nan 8.360 nan 0.000 0.479 280 K N 0.264 120.464 120.400 -0.334 0.000 2.190 280 K HA 0.283 4.598 4.320 -0.009 0.000 0.202 280 K C 0.751 177.042 176.600 -0.514 0.000 1.045 280 K CA 0.765 56.858 56.287 -0.323 0.000 0.976 280 K CB 0.365 32.652 32.500 -0.356 0.000 0.849 280 K HN 0.200 nan 8.250 nan 0.000 0.468 281 L N -2.685 118.211 121.223 -0.544 0.000 2.518 281 L HA 0.656 4.990 4.340 -0.009 0.000 0.257 281 L C -0.356 176.302 176.870 -0.353 0.000 0.980 281 L CA -0.630 53.751 54.840 -0.765 0.000 0.837 281 L CB 1.924 43.458 42.059 -0.875 0.000 1.410 281 L HN 0.327 nan 8.230 nan 0.000 0.410 282 G N 1.187 109.853 108.800 -0.225 0.000 2.907 282 G HA2 -0.235 3.719 3.960 -0.009 0.000 0.242 282 G HA3 -0.235 3.719 3.960 -0.009 0.000 0.242 282 G C 0.051 174.908 174.900 -0.072 0.000 1.448 282 G CA 0.401 45.449 45.100 -0.086 0.000 0.911 282 G HN 0.918 nan 8.290 nan 0.000 0.553 283 I N -0.384 120.170 120.570 -0.028 0.000 3.812 283 I HA 0.231 4.395 4.170 -0.009 0.000 0.292 283 I C 1.589 177.701 176.117 -0.007 0.000 1.206 283 I CA 0.339 61.629 61.300 -0.018 0.000 1.370 283 I CB 0.244 38.247 38.000 0.005 0.000 1.328 283 I HN 0.416 nan 8.210 nan 0.000 0.453 284 R N 0.527 121.032 120.500 0.007 0.000 2.912 284 R HA 0.659 4.993 4.340 -0.009 0.000 0.262 284 R C -1.638 174.675 176.300 0.022 0.000 1.057 284 R CA -0.785 55.325 56.100 0.018 0.000 0.981 284 R CB 2.661 32.980 30.300 0.032 0.000 1.201 284 R HN -0.135 nan 8.270 nan 0.000 0.484 285 L N 0.753 121.994 121.223 0.029 0.000 2.487 285 L HA 0.282 4.616 4.340 -0.009 0.000 0.261 285 L C -1.328 175.570 176.870 0.047 0.000 1.223 285 L CA 0.055 54.917 54.840 0.037 0.000 0.883 285 L CB 1.569 43.640 42.059 0.021 0.000 1.065 285 L HN 0.465 nan 8.230 nan 0.000 0.488 286 S N 2.489 118.221 115.700 0.053 0.000 2.498 286 S HA 0.671 5.136 4.470 -0.009 0.000 0.281 286 S C 0.442 175.079 174.600 0.062 0.000 1.265 286 S CA 0.581 58.813 58.200 0.054 0.000 1.071 286 S CB 0.164 63.394 63.200 0.051 0.000 0.894 286 S HN 1.312 nan 8.310 nan 0.000 0.491 287 G N 2.922 111.758 108.800 0.059 0.000 3.190 287 G HA2 -0.118 3.837 3.960 -0.009 0.000 0.686 287 G HA3 -0.118 3.837 3.960 -0.009 0.000 0.686 287 G C 0.206 175.143 174.900 0.061 0.000 1.033 287 G CA -0.229 44.909 45.100 0.064 0.000 0.797 287 G HN 0.628 nan 8.290 nan 0.000 0.567 288 R N 1.089 121.623 120.500 0.057 0.000 2.326 288 R HA -0.100 4.235 4.340 -0.009 0.000 0.216 288 R C 1.948 178.278 176.300 0.051 0.000 1.064 288 R CA 2.860 58.993 56.100 0.055 0.000 0.827 288 R CB -1.453 28.882 30.300 0.058 0.000 0.809 288 R HN 1.031 nan 8.270 nan 0.000 0.430 289 T N 1.796 116.381 114.554 0.053 0.000 2.770 289 T HA 0.348 4.692 4.350 -0.009 0.000 0.281 289 T C -0.081 174.663 174.700 0.073 0.000 0.981 289 T CA -0.070 62.059 62.100 0.048 0.000 0.955 289 T CB 0.112 69.008 68.868 0.047 0.000 1.060 289 T HN 0.432 nan 8.240 nan 0.000 0.531 290 L N 0.054 121.327 121.223 0.083 0.000 2.838 290 L HA 0.466 4.800 4.340 -0.009 0.000 0.287 290 L C 0.020 177.002 176.870 0.186 0.000 1.124 290 L CA -0.439 54.483 54.840 0.137 0.000 1.091 290 L CB -1.612 40.546 42.059 0.164 0.000 1.448 290 L HN 0.605 nan 8.230 nan 0.000 0.455 291 A N 4.524 127.440 122.820 0.160 0.000 2.488 291 A HA 0.896 5.211 4.320 -0.009 0.000 0.298 291 A C -0.529 177.133 177.584 0.129 0.000 1.044 291 A CA -0.789 51.348 52.037 0.167 0.000 0.693 291 A CB 1.812 20.885 19.000 0.121 0.000 1.272 291 A HN 0.780 nan 8.150 nan 0.000 0.402 292 R N 1.377 121.943 120.500 0.110 0.000 2.644 292 R HA 0.468 4.802 4.340 -0.009 0.000 0.257 292 R C -1.795 174.507 176.300 0.002 0.000 1.082 292 R CA -0.451 55.674 56.100 0.042 0.000 0.927 292 R CB 0.953 31.234 30.300 -0.033 0.000 1.258 292 R HN 1.434 nan 8.270 nan 0.000 0.459 293 F N 3.078 122.961 119.950 -0.112 0.000 2.802 293 F HA 0.432 4.954 4.527 -0.009 0.000 0.346 293 F C 0.399 176.180 175.800 -0.033 0.000 1.229 293 F CA -0.427 57.559 58.000 -0.024 0.000 1.142 293 F CB 0.348 39.428 39.000 0.133 0.000 1.146 293 F HN 0.708 nan 8.300 nan 0.000 0.510 294 E N 0.621 120.642 120.200 -0.298 0.000 2.042 294 E HA -0.067 4.278 4.350 -0.009 0.000 0.189 294 E C 0.764 177.198 176.600 -0.277 0.000 0.974 294 E CA 1.747 57.933 56.400 -0.357 0.000 0.806 294 E CB 0.190 29.780 29.700 -0.184 0.000 0.769 294 E HN 0.420 nan 8.360 nan 0.000 0.451 295 D N -2.067 118.212 120.400 -0.201 0.000 2.433 295 D HA 0.178 4.813 4.640 -0.009 0.000 0.211 295 D C 0.927 177.154 176.300 -0.121 0.000 1.114 295 D CA 0.721 54.636 54.000 -0.141 0.000 0.837 295 D CB 1.318 42.059 40.800 -0.098 0.000 0.984 295 D HN 0.361 nan 8.370 nan 0.000 0.505 296 G N 1.502 110.198 108.800 -0.174 0.000 2.225 296 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.254 296 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.254 296 G C 0.238 175.130 174.900 -0.014 0.000 0.988 296 G CA 0.190 45.221 45.100 -0.114 0.000 0.625 296 G HN 0.367 nan 8.290 nan 0.000 0.527 297 E N 1.078 121.251 120.200 -0.046 0.000 2.102 297 E HA 0.525 4.869 4.350 -0.009 0.000 0.263 297 E C -0.380 176.250 176.600 0.051 0.000 0.894 297 E CA -0.914 55.539 56.400 0.089 0.000 0.746 297 E CB 0.163 29.882 29.700 0.032 0.000 1.129 297 E HN 0.075 nan 8.360 nan 0.000 0.416 298 F N 3.147 123.097 119.950 0.000 0.000 2.496 298 F HA 0.134 4.656 4.527 -0.009 0.000 0.344 298 F C 1.068 176.879 175.800 0.017 0.000 1.155 298 F CA 0.119 58.138 58.000 0.031 0.000 1.302 298 F CB 0.528 39.557 39.000 0.049 0.000 1.159 298 F HN 0.344 nan 8.300 nan 0.000 0.595 299 K N 1.312 121.835 120.400 0.205 0.000 2.376 299 K HA 0.455 4.769 4.320 -0.009 0.000 0.257 299 K C -1.799 174.914 176.600 0.188 0.000 0.939 299 K CA -0.853 55.513 56.287 0.131 0.000 0.809 299 K CB 1.909 34.452 32.500 0.072 0.000 1.121 299 K HN 0.624 nan 8.250 nan 0.000 0.425 300 D N 3.052 123.562 120.400 0.183 0.000 2.389 300 D HA 0.054 4.688 4.640 -0.009 0.000 0.256 300 D C -0.365 176.063 176.300 0.213 0.000 1.239 300 D CA -0.465 53.677 54.000 0.237 0.000 0.925 300 D CB 1.698 42.695 40.800 0.329 0.000 1.145 300 D HN 0.830 nan 8.370 nan 0.000 0.542 301 E N 1.408 121.700 120.200 0.154 0.000 2.489 301 E HA 0.019 4.363 4.350 -0.009 0.000 0.193 301 E C 1.035 177.691 176.600 0.093 0.000 1.057 301 E CA 0.097 56.574 56.400 0.128 0.000 0.866 301 E CB 0.659 30.413 29.700 0.089 0.000 0.916 301 E HN 0.289 nan 8.360 nan 0.000 0.500 302 V N -0.324 119.640 119.914 0.083 0.000 2.795 302 V HA -0.040 4.075 4.120 -0.009 0.000 0.243 302 V C 1.388 177.461 176.094 -0.035 0.000 1.069 302 V CA 0.699 62.989 62.300 -0.018 0.000 1.089 302 V CB -0.172 31.591 31.823 -0.101 0.000 0.756 302 V HN 0.336 nan 8.190 nan 0.000 0.471 303 F N -0.032 119.950 119.950 0.053 0.000 2.134 303 F HA -0.207 4.315 4.527 -0.009 0.000 0.299 303 F C 2.151 177.968 175.800 0.027 0.000 1.097 303 F CA 2.206 60.232 58.000 0.044 0.000 1.264 303 F CB 0.100 39.143 39.000 0.070 0.000 1.001 303 F HN 0.120 nan 8.300 nan 0.000 0.479 304 L N 0.421 121.795 121.223 0.252 0.000 2.044 304 L HA -0.031 4.304 4.340 -0.009 0.000 0.205 304 L C -0.888 175.989 176.870 0.012 0.000 1.075 304 L CA 1.337 56.223 54.840 0.077 0.000 0.747 304 L CB -1.559 40.485 42.059 -0.026 0.000 0.903 304 L HN -0.082 nan 8.230 nan 0.000 0.435 305 P HA -0.192 nan 4.420 nan 0.000 0.216 305 P C 1.637 178.977 177.300 0.068 0.000 1.150 305 P CA 2.378 65.492 63.100 0.023 0.000 0.843 305 P CB -0.291 31.411 31.700 0.003 0.000 0.787 306 T N -2.676 111.925 114.554 0.078 0.000 2.788 306 T HA -0.162 4.182 4.350 -0.009 0.000 0.268 306 T C 1.734 176.604 174.700 0.283 0.000 1.044 306 T CA 0.986 63.230 62.100 0.240 0.000 1.139 306 T CB -1.205 67.690 68.868 0.045 0.000 0.867 306 T HN -0.045 nan 8.240 nan 0.000 0.454 307 L N 0.814 122.106 121.223 0.116 0.000 2.156 307 L HA 0.294 4.629 4.340 -0.009 0.000 0.208 307 L C 2.840 179.659 176.870 -0.084 0.000 1.095 307 L CA 1.360 56.216 54.840 0.027 0.000 0.770 307 L CB -0.713 41.288 42.059 -0.097 0.000 0.914 307 L HN 0.186 nan 8.230 nan 0.000 0.439 308 R N -1.884 118.567 120.500 -0.083 0.000 2.083 308 R HA -0.255 4.079 4.340 -0.009 0.000 0.237 308 R C 2.172 178.511 176.300 0.065 0.000 1.137 308 R CA 2.045 58.120 56.100 -0.041 0.000 0.951 308 R CB -0.493 29.821 30.300 0.023 0.000 0.851 308 R HN 0.370 nan 8.270 nan 0.000 0.434 309 Y N -0.091 120.076 120.300 -0.223 0.000 2.509 309 Y HA -0.096 4.448 4.550 -0.009 0.000 0.293 309 Y C 1.701 177.173 175.900 -0.714 0.000 1.133 309 Y CA 0.711 58.502 58.100 -0.515 0.000 1.283 309 Y CB 0.103 38.075 38.460 -0.814 0.000 1.001 309 Y HN 0.127 nan 8.280 nan 0.000 0.555 310 L N -1.633 119.396 121.223 -0.322 0.000 2.095 310 L HA -0.069 4.265 4.340 -0.009 0.000 0.204 310 L C 1.963 178.921 176.870 0.147 0.000 1.080 310 L CA 1.574 56.351 54.840 -0.104 0.000 0.759 310 L CB -0.733 41.433 42.059 0.179 0.000 0.914 310 L HN 0.133 nan 8.230 nan 0.000 0.439 311 F N -0.939 118.978 119.950 -0.055 0.000 2.293 311 F HA -0.177 4.344 4.527 -0.009 0.000 0.300 311 F C 2.283 178.109 175.800 0.044 0.000 1.086 311 F CA 0.472 58.470 58.000 -0.003 0.000 1.375 311 F CB -0.127 38.855 39.000 -0.031 0.000 1.045 311 F HN 0.240 nan 8.300 nan 0.000 0.516 312 A N -0.316 122.602 122.820 0.162 0.000 1.878 312 A HA -0.079 4.235 4.320 -0.009 0.000 0.213 312 A C 1.844 179.320 177.584 -0.181 0.000 1.192 312 A CA 0.651 52.668 52.037 -0.033 0.000 0.619 312 A CB -0.842 18.020 19.000 -0.230 0.000 0.837 312 A HN 0.282 nan 8.150 nan 0.000 0.446 313 L N 1.110 122.161 121.223 -0.287 0.000 2.191 313 L HA -0.094 4.240 4.340 -0.009 0.000 0.212 313 L C 2.255 179.190 176.870 0.109 0.000 1.103 313 L CA 2.737 57.434 54.840 -0.237 0.000 0.769 313 L CB -0.942 40.904 42.059 -0.356 0.000 0.908 313 L HN 0.513 nan 8.230 nan 0.000 0.438 314 T N -2.815 111.818 114.554 0.132 0.000 3.148 314 T HA 0.462 4.807 4.350 -0.009 0.000 0.253 314 T C 0.692 175.433 174.700 0.070 0.000 1.134 314 T CA 0.269 62.467 62.100 0.163 0.000 1.051 314 T CB -0.364 68.534 68.868 0.050 0.000 0.959 314 T HN 0.411 nan 8.240 nan 0.000 0.525 315 A N -0.125 122.723 122.820 0.046 0.000 2.454 315 A HA 0.817 5.132 4.320 -0.009 0.000 0.302 315 A C 1.174 178.753 177.584 -0.007 0.000 1.079 315 A CA -0.352 51.696 52.037 0.017 0.000 0.731 315 A CB 0.882 19.901 19.000 0.032 0.000 1.299 315 A HN 0.515 nan 8.150 nan 0.000 0.413 316 G N -0.072 108.724 108.800 -0.006 0.000 3.152 316 G HA2 -0.167 3.788 3.960 -0.009 0.000 0.407 316 G HA3 -0.167 3.788 3.960 -0.009 0.000 0.407 316 G C 0.297 175.189 174.900 -0.013 0.000 0.933 316 G CA 1.558 46.651 45.100 -0.012 0.000 0.773 316 G HN 1.851 nan 8.290 nan 0.000 1.074 317 V N 1.094 120.952 119.914 -0.094 0.000 2.629 317 V HA 0.275 4.390 4.120 -0.009 0.000 0.263 317 V C -1.391 174.546 176.094 -0.262 0.000 0.959 317 V CA -0.244 61.946 62.300 -0.185 0.000 0.869 317 V CB 1.615 33.284 31.823 -0.257 0.000 1.060 317 V HN 0.456 nan 8.190 nan 0.000 0.474 318 P HA 0.106 nan 4.420 nan 0.000 0.213 318 P C 0.884 178.024 177.300 -0.265 0.000 1.170 318 P CA 1.416 64.334 63.100 -0.303 0.000 0.893 318 P CB 0.377 31.826 31.700 -0.419 0.000 0.784 319 G N -2.578 106.046 108.800 -0.293 0.000 3.086 319 G HA2 0.365 4.319 3.960 -0.009 0.000 0.282 319 G HA3 0.365 4.319 3.960 -0.009 0.000 0.282 319 G C -1.525 173.185 174.900 -0.317 0.000 1.343 319 G CA -0.318 44.622 45.100 -0.267 0.000 0.895 319 G HN -0.014 nan 8.290 nan 0.000 0.557 320 H N 1.360 120.367 119.070 -0.104 0.000 2.541 320 H HA 0.322 4.873 4.556 -0.009 0.000 0.316 320 H C -0.483 174.778 175.328 -0.111 0.000 1.043 320 H CA -0.363 55.620 56.048 -0.109 0.000 1.232 320 H CB 1.658 31.377 29.762 -0.072 0.000 1.406 320 H HN 0.318 nan 8.280 nan 0.000 0.469 321 E N 3.996 124.161 120.200 -0.058 0.000 1.998 321 E HA 0.263 4.607 4.350 -0.009 0.000 0.257 321 E C -0.401 176.158 176.600 -0.069 0.000 1.038 321 E CA -0.546 55.829 56.400 -0.042 0.000 0.869 321 E CB 0.814 30.423 29.700 -0.152 0.000 1.135 321 E HN 0.195 nan 8.360 nan 0.000 0.430 322 V N 1.786 121.689 119.914 -0.019 0.000 2.623 322 V HA 0.274 4.388 4.120 -0.009 0.000 0.304 322 V C -0.454 175.646 176.094 0.010 0.000 1.054 322 V CA -1.026 61.248 62.300 -0.044 0.000 0.882 322 V CB 2.499 34.281 31.823 -0.070 0.000 1.002 322 V HN 0.328 nan 8.190 nan 0.000 0.424 323 D N 2.627 123.040 120.400 0.022 0.000 2.349 323 D HA 0.201 4.835 4.640 -0.009 0.000 0.232 323 D C -0.692 175.590 176.300 -0.031 0.000 1.071 323 D CA -0.275 53.733 54.000 0.013 0.000 0.832 323 D CB 2.160 43.000 40.800 0.066 0.000 1.086 323 D HN 0.513 nan 8.370 nan 0.000 0.504 324 D N 3.043 123.441 120.400 -0.003 0.000 2.348 324 D HA 0.046 4.681 4.640 -0.009 0.000 0.259 324 D C 1.634 177.873 176.300 -0.101 0.000 1.296 324 D CA -0.146 53.835 54.000 -0.032 0.000 0.931 324 D CB 0.681 41.532 40.800 0.085 0.000 1.067 324 D HN 0.395 nan 8.370 nan 0.000 0.503 325 I N 2.312 122.784 120.570 -0.164 0.000 2.145 325 I HA -0.321 3.843 4.170 -0.009 0.000 0.244 325 I C 1.339 177.350 176.117 -0.177 0.000 1.075 325 I CA 1.098 62.278 61.300 -0.200 0.000 1.332 325 I CB -0.064 37.824 38.000 -0.188 0.000 1.033 325 I HN 0.305 nan 8.210 nan 0.000 0.410 326 D N -0.574 119.647 120.400 -0.299 0.000 2.392 326 D HA -0.106 4.529 4.640 -0.009 0.000 0.228 326 D C 0.887 176.998 176.300 -0.315 0.000 1.003 326 D CA 0.559 54.344 54.000 -0.359 0.000 0.917 326 D CB -0.620 39.867 40.800 -0.521 0.000 0.890 326 D HN 0.354 nan 8.370 nan 0.000 0.532 327 H N 0.655 119.587 119.070 -0.230 0.000 2.928 327 H HA -0.021 4.529 4.556 -0.009 0.000 0.338 327 H C 1.227 176.604 175.328 0.082 0.000 1.047 327 H CA -0.129 55.967 56.048 0.079 0.000 1.435 327 H CB 1.158 30.958 29.762 0.063 0.000 1.428 327 H HN -0.063 nan 8.280 nan 0.000 0.590 328 L N 3.916 125.274 121.223 0.225 0.000 2.265 328 L HA -0.075 4.259 4.340 -0.009 0.000 0.215 328 L C 2.586 179.584 176.870 0.212 0.000 1.117 328 L CA 1.673 56.653 54.840 0.234 0.000 0.782 328 L CB -0.408 41.807 42.059 0.259 0.000 0.914 328 L HN 0.790 nan 8.230 nan 0.000 0.441 329 G N -1.556 107.334 108.800 0.150 0.000 2.679 329 G HA2 -0.177 3.777 3.960 -0.009 0.000 0.212 329 G HA3 -0.177 3.777 3.960 -0.009 0.000 0.212 329 G C 1.392 176.067 174.900 -0.374 0.000 1.137 329 G CA 0.429 45.408 45.100 -0.202 0.000 0.787 329 G HN 0.371 nan 8.290 nan 0.000 0.534 330 N N -0.312 118.364 118.700 -0.040 0.000 2.510 330 N HA 0.128 4.863 4.740 -0.009 0.000 0.186 330 N C 0.766 176.323 175.510 0.078 0.000 1.051 330 N CA 0.063 53.126 53.050 0.023 0.000 0.877 330 N CB 0.303 38.796 38.487 0.011 0.000 1.183 330 N HN 0.068 nan 8.380 nan 0.000 0.443 331 R N 1.600 122.149 120.500 0.082 0.000 2.205 331 R HA 0.219 4.554 4.340 -0.009 0.000 0.342 331 R C -0.160 176.200 176.300 0.099 0.000 1.058 331 R CA -0.395 55.749 56.100 0.073 0.000 0.904 331 R CB 1.100 31.440 30.300 0.067 0.000 1.089 331 R HN 0.088 nan 8.270 nan 0.000 0.471 332 R N 3.676 124.181 120.500 0.007 0.000 2.390 332 R HA 0.165 4.499 4.340 -0.009 0.000 0.291 332 R C -0.469 175.697 176.300 -0.224 0.000 1.070 332 R CA -0.514 55.592 56.100 0.009 0.000 1.014 332 R CB 0.649 30.967 30.300 0.030 0.000 1.007 332 R HN 0.388 nan 8.270 nan 0.000 0.466 333 I N 4.938 125.477 120.570 -0.053 0.000 2.371 333 I HA 0.129 4.293 4.170 -0.009 0.000 0.290 333 I C 0.318 176.425 176.117 -0.017 0.000 1.028 333 I CA -0.076 61.207 61.300 -0.028 0.000 1.345 333 I CB 0.851 38.861 38.000 0.017 0.000 1.407 333 I HN 0.475 nan 8.210 nan 0.000 0.501 334 R N 5.041 125.567 120.500 0.042 0.000 2.220 334 R HA 0.300 4.634 4.340 -0.009 0.000 0.340 334 R C -0.060 176.279 176.300 0.064 0.000 1.076 334 R CA -0.514 55.646 56.100 0.099 0.000 0.920 334 R CB -0.333 30.073 30.300 0.175 0.000 1.062 334 R HN 0.627 nan 8.270 nan 0.000 0.469 335 T N -1.170 113.414 114.554 0.050 0.000 2.899 335 T HA 0.053 4.398 4.350 -0.009 0.000 0.295 335 T C 1.822 176.552 174.700 0.050 0.000 1.033 335 T CA -0.915 61.203 62.100 0.030 0.000 1.084 335 T CB 1.323 70.202 68.868 0.018 0.000 0.979 335 T HN 0.222 nan 8.240 nan 0.000 0.532 336 V N 3.281 123.206 119.914 0.018 0.000 2.242 336 V HA -0.295 3.819 4.120 -0.009 0.000 0.257 336 V C 2.925 179.079 176.094 0.100 0.000 1.073 336 V CA 2.670 64.984 62.300 0.024 0.000 1.058 336 V CB -1.802 29.970 31.823 -0.085 0.000 0.664 336 V HN 1.177 nan 8.190 nan 0.000 0.451 337 G N -0.972 107.915 108.800 0.144 0.000 2.574 337 G HA2 -0.400 3.554 3.960 -0.009 0.000 0.220 337 G HA3 -0.400 3.554 3.960 -0.009 0.000 0.220 337 G C 1.515 176.470 174.900 0.090 0.000 1.173 337 G CA 1.260 46.473 45.100 0.187 0.000 0.772 337 G HN 0.652 nan 8.290 nan 0.000 0.585 338 E N 0.090 120.342 120.200 0.087 0.000 2.118 338 E HA -0.107 4.237 4.350 -0.009 0.000 0.195 338 E C 2.527 179.170 176.600 0.071 0.000 0.992 338 E CA 0.778 57.247 56.400 0.115 0.000 0.804 338 E CB -0.238 29.599 29.700 0.228 0.000 0.741 338 E HN 0.505 nan 8.360 nan 0.000 0.458 339 L N 0.310 121.568 121.223 0.057 0.000 2.275 339 L HA -0.114 4.221 4.340 -0.009 0.000 0.215 339 L C 2.667 179.320 176.870 -0.363 0.000 1.119 339 L CA 0.592 55.416 54.840 -0.026 0.000 0.790 339 L CB -0.234 41.932 42.059 0.179 0.000 0.919 339 L HN 0.347 nan 8.230 nan 0.000 0.443 340 M N -1.239 118.260 119.600 -0.167 0.000 2.466 340 M HA -0.084 4.390 4.480 -0.009 0.000 0.265 340 M C 2.273 178.514 176.300 -0.098 0.000 1.122 340 M CA 1.265 56.454 55.300 -0.185 0.000 1.157 340 M CB -0.147 32.595 32.600 0.237 0.000 1.352 340 M HN 0.133 nan 8.290 nan 0.000 0.464 341 T N 0.770 115.287 114.554 -0.062 0.000 2.777 341 T HA -0.146 4.198 4.350 -0.009 0.000 0.266 341 T C 1.282 175.991 174.700 0.014 0.000 1.040 341 T CA 1.908 63.989 62.100 -0.032 0.000 1.141 341 T CB -0.176 68.598 68.868 -0.157 0.000 0.868 341 T HN 0.335 nan 8.240 nan 0.000 0.444 342 D N 0.442 120.826 120.400 -0.026 0.000 2.104 342 D HA -0.072 4.563 4.640 -0.009 0.000 0.194 342 D C 2.271 178.536 176.300 -0.059 0.000 0.994 342 D CA 1.115 55.111 54.000 -0.007 0.000 0.830 342 D CB -0.346 40.454 40.800 -0.000 0.000 0.959 342 D HN 0.331 nan 8.370 nan 0.000 0.452 343 Q N -0.545 119.155 119.800 -0.168 0.000 2.224 343 Q HA -0.023 4.312 4.340 -0.009 0.000 0.203 343 Q C 1.824 177.823 176.000 -0.001 0.000 0.970 343 Q CA 0.597 56.317 55.803 -0.138 0.000 0.865 343 Q CB -0.494 28.020 28.738 -0.375 0.000 0.922 343 Q HN 0.383 nan 8.270 nan 0.000 0.445 344 F N 0.382 120.241 119.950 -0.152 0.000 2.259 344 F HA -0.100 4.422 4.527 -0.009 0.000 0.298 344 F C 2.192 177.903 175.800 -0.148 0.000 1.088 344 F CA 1.202 59.114 58.000 -0.146 0.000 1.358 344 F CB 0.123 39.012 39.000 -0.185 0.000 1.040 344 F HN 0.061 nan 8.300 nan 0.000 0.505 345 R N -0.135 120.289 120.500 -0.126 0.000 2.112 345 R HA -0.022 4.312 4.340 -0.009 0.000 0.216 345 R C 1.796 178.002 176.300 -0.157 0.000 1.080 345 R CA 1.415 57.396 56.100 -0.199 0.000 0.996 345 R CB -0.893 29.361 30.300 -0.077 0.000 0.902 345 R HN 0.238 nan 8.270 nan 0.000 0.449 346 V N 1.722 121.581 119.914 -0.091 0.000 2.287 346 V HA -0.193 3.921 4.120 -0.009 0.000 0.248 346 V C 2.573 178.614 176.094 -0.089 0.000 1.053 346 V CA 2.226 64.487 62.300 -0.065 0.000 1.027 346 V CB -0.990 30.815 31.823 -0.029 0.000 0.646 346 V HN 0.698 nan 8.190 nan 0.000 0.447 347 G N -0.558 108.175 108.800 -0.111 0.000 2.418 347 G HA2 -0.230 3.724 3.960 -0.009 0.000 0.217 347 G HA3 -0.230 3.724 3.960 -0.009 0.000 0.217 347 G C 1.550 176.335 174.900 -0.191 0.000 1.158 347 G CA 0.935 45.961 45.100 -0.124 0.000 0.771 347 G HN 0.409 nan 8.290 nan 0.000 0.545 348 L N 1.210 122.245 121.223 -0.313 0.000 2.079 348 L HA -0.022 4.312 4.340 -0.009 0.000 0.210 348 L C 3.253 179.992 176.870 -0.218 0.000 1.081 348 L CA 1.843 56.479 54.840 -0.340 0.000 0.752 348 L CB -0.467 41.320 42.059 -0.454 0.000 0.896 348 L HN 0.286 nan 8.230 nan 0.000 0.433 349 A N -0.674 122.047 122.820 -0.166 0.000 1.898 349 A HA -0.201 4.113 4.320 -0.009 0.000 0.216 349 A C 2.385 179.920 177.584 -0.082 0.000 1.181 349 A CA 1.566 53.537 52.037 -0.110 0.000 0.620 349 A CB -0.431 18.521 19.000 -0.080 0.000 0.819 349 A HN 0.394 nan 8.150 nan 0.000 0.442 350 R N -0.779 119.675 120.500 -0.076 0.000 2.096 350 R HA -0.086 4.248 4.340 -0.009 0.000 0.235 350 R C 2.133 178.403 176.300 -0.051 0.000 1.127 350 R CA 1.395 57.465 56.100 -0.050 0.000 0.968 350 R CB -0.598 29.678 30.300 -0.039 0.000 0.861 350 R HN 0.566 nan 8.270 nan 0.000 0.440 351 L N 0.516 121.694 121.223 -0.074 0.000 1.988 351 L HA 0.010 4.344 4.340 -0.009 0.000 0.207 351 L C 2.250 179.087 176.870 -0.055 0.000 1.071 351 L CA 2.117 56.919 54.840 -0.064 0.000 0.744 351 L CB -0.753 41.252 42.059 -0.090 0.000 0.893 351 L HN 0.082 nan 8.230 nan 0.000 0.433 352 A N -0.466 122.307 122.820 -0.079 0.000 2.070 352 A HA -0.174 4.141 4.320 -0.009 0.000 0.220 352 A C 2.377 179.938 177.584 -0.039 0.000 1.159 352 A CA 1.606 53.606 52.037 -0.062 0.000 0.656 352 A CB -0.603 18.344 19.000 -0.089 0.000 0.800 352 A HN 0.577 nan 8.150 nan 0.000 0.453 353 R N -0.960 119.517 120.500 -0.038 0.000 2.062 353 R HA -0.076 4.258 4.340 -0.009 0.000 0.231 353 R C 2.472 178.764 176.300 -0.014 0.000 1.136 353 R CA 1.308 57.394 56.100 -0.023 0.000 0.948 353 R CB -0.689 29.598 30.300 -0.021 0.000 0.845 353 R HN 0.499 nan 8.270 nan 0.000 0.430 354 G N 0.212 109.004 108.800 -0.014 0.000 2.422 354 G HA2 -0.231 3.724 3.960 -0.009 0.000 0.218 354 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.218 354 G C 1.411 176.309 174.900 -0.004 0.000 1.146 354 G CA 0.686 45.781 45.100 -0.007 0.000 0.769 354 G HN 0.255 nan 8.290 nan 0.000 0.547 355 V N 0.777 120.687 119.914 -0.007 0.000 2.343 355 V HA -0.163 3.951 4.120 -0.009 0.000 0.247 355 V C 2.854 178.949 176.094 0.002 0.000 1.051 355 V CA 2.316 64.616 62.300 -0.000 0.000 1.036 355 V CB -0.416 31.408 31.823 0.002 0.000 0.654 355 V HN 0.411 nan 8.190 nan 0.000 0.451 356 R N -0.316 120.183 120.500 -0.001 0.000 2.103 356 R HA -0.212 4.123 4.340 -0.009 0.000 0.242 356 R C 2.284 178.588 176.300 0.006 0.000 1.142 356 R CA 2.142 58.243 56.100 0.002 0.000 0.960 356 R CB -0.389 29.910 30.300 -0.001 0.000 0.858 356 R HN 0.650 nan 8.270 nan 0.000 0.439 357 E N -0.075 120.128 120.200 0.005 0.000 2.150 357 E HA -0.168 4.176 4.350 -0.009 0.000 0.193 357 E C 1.846 178.452 176.600 0.009 0.000 0.985 357 E CA 0.736 57.141 56.400 0.007 0.000 0.814 357 E CB 0.050 29.754 29.700 0.006 0.000 0.752 357 E HN 0.112 nan 8.360 nan 0.000 0.466 358 R N -0.054 120.451 120.500 0.009 0.000 2.299 358 R HA 0.103 4.437 4.340 -0.009 0.000 0.197 358 R C 1.934 178.243 176.300 0.015 0.000 0.971 358 R CA 0.190 56.297 56.100 0.011 0.000 1.030 358 R CB 0.121 30.426 30.300 0.009 0.000 0.932 358 R HN 0.091 nan 8.270 nan 0.000 0.477 359 M N -0.154 119.455 119.600 0.015 0.000 2.394 359 M HA -0.028 4.446 4.480 -0.009 0.000 0.264 359 M C 1.068 177.382 176.300 0.024 0.000 1.073 359 M CA 1.477 56.789 55.300 0.020 0.000 1.111 359 M CB 0.093 32.704 32.600 0.018 0.000 1.401 359 M HN 0.190 nan 8.290 nan 0.000 0.448 360 L N -2.233 119.002 121.223 0.019 0.000 2.298 360 L HA 0.004 4.338 4.340 -0.009 0.000 0.209 360 L C 2.234 179.114 176.870 0.016 0.000 1.084 360 L CA 0.256 55.107 54.840 0.018 0.000 0.816 360 L CB -0.519 41.549 42.059 0.015 0.000 0.967 360 L HN 0.149 nan 8.230 nan 0.000 0.460 361 M N 0.588 120.197 119.600 0.015 0.000 2.123 361 M HA 0.060 4.535 4.480 -0.009 0.000 0.263 361 M C 1.294 177.602 176.300 0.014 0.000 1.069 361 M CA 0.863 56.171 55.300 0.013 0.000 1.133 361 M CB -0.437 32.170 32.600 0.011 0.000 1.356 361 M HN 0.291 nan 8.290 nan 0.000 0.415 362 G N -0.103 108.708 108.800 0.018 0.000 2.305 362 G HA2 0.071 4.026 3.960 -0.009 0.000 0.243 362 G HA3 0.071 4.026 3.960 -0.009 0.000 0.243 362 G C 0.575 175.487 174.900 0.019 0.000 1.288 362 G CA -0.271 44.841 45.100 0.020 0.000 0.901 362 G HN 0.276 nan 8.290 nan 0.000 0.516 363 S N 1.698 117.407 115.700 0.014 0.000 2.398 363 S HA -0.113 4.352 4.470 -0.009 0.000 0.220 363 S C 1.835 176.440 174.600 0.008 0.000 1.038 363 S CA 1.748 59.953 58.200 0.009 0.000 1.080 363 S CB -0.067 63.136 63.200 0.005 0.000 1.039 363 S HN 0.808 nan 8.310 nan 0.000 0.419 364 E N -1.579 118.624 120.200 0.005 0.000 3.596 364 E HA 0.131 4.475 4.350 -0.009 0.000 0.188 364 E C 1.184 177.779 176.600 -0.009 0.000 1.232 364 E CA 0.073 56.467 56.400 -0.009 0.000 1.460 364 E CB 0.043 29.726 29.700 -0.028 0.000 1.513 364 E HN 0.281 nan 8.360 nan 0.000 0.530 365 D N 0.380 120.772 120.400 -0.014 0.000 2.448 365 D HA 0.066 4.700 4.640 -0.009 0.000 0.256 365 D C 0.472 176.822 176.300 0.083 0.000 1.108 365 D CA 0.235 54.235 54.000 -0.000 0.000 0.848 365 D CB 0.714 41.440 40.800 -0.124 0.000 1.281 365 D HN -0.089 nan 8.370 nan 0.000 0.509 366 S N 1.354 117.082 115.700 0.045 0.000 2.954 366 S HA 0.026 4.490 4.470 -0.009 0.000 0.234 366 S C 1.749 176.375 174.600 0.044 0.000 0.978 366 S CA -0.073 58.152 58.200 0.042 0.000 1.045 366 S CB -0.488 62.725 63.200 0.022 0.000 0.807 366 S HN 0.391 nan 8.310 nan 0.000 0.508 367 L N -1.734 119.527 121.223 0.064 0.000 2.591 367 L HA 0.182 4.516 4.340 -0.009 0.000 0.228 367 L C 1.670 178.553 176.870 0.022 0.000 1.133 367 L CA 0.147 55.014 54.840 0.044 0.000 0.880 367 L CB -1.394 40.700 42.059 0.058 0.000 1.033 367 L HN 0.002 nan 8.230 nan 0.000 0.450 368 T N 0.761 115.324 114.554 0.015 0.000 2.474 368 T HA -0.095 4.250 4.350 -0.009 0.000 0.254 368 T C -0.310 174.388 174.700 -0.005 0.000 1.191 368 T CA 1.607 63.701 62.100 -0.010 0.000 1.231 368 T CB -1.612 67.247 68.868 -0.016 0.000 0.865 368 T HN 0.285 nan 8.240 nan 0.000 0.398 369 P HA -0.056 nan 4.420 nan 0.000 0.199 369 P C 1.609 178.912 177.300 0.005 0.000 1.085 369 P CA 1.553 64.655 63.100 0.003 0.000 0.924 369 P CB -0.450 31.250 31.700 0.000 0.000 0.736 370 A N -1.352 121.469 122.820 0.001 0.000 2.015 370 A HA -0.130 4.185 4.320 -0.009 0.000 0.219 370 A C 2.016 179.601 177.584 0.003 0.000 1.163 370 A CA 1.533 53.569 52.037 -0.002 0.000 0.646 370 A CB -1.043 17.953 19.000 -0.005 0.000 0.806 370 A HN 0.051 nan 8.150 nan 0.000 0.448 371 K N -1.347 119.058 120.400 0.007 0.000 2.525 371 K HA 0.265 4.579 4.320 -0.009 0.000 0.192 371 K C 0.389 176.995 176.600 0.011 0.000 1.029 371 K CA 0.495 56.788 56.287 0.010 0.000 1.029 371 K CB -0.034 32.475 32.500 0.016 0.000 0.814 371 K HN 0.387 nan 8.250 nan 0.000 0.503 372 L N -1.434 119.795 121.223 0.010 0.000 3.515 372 L HA 0.208 4.543 4.340 -0.009 0.000 0.322 372 L C -1.266 175.615 176.870 0.018 0.000 1.225 372 L CA -0.110 54.737 54.840 0.013 0.000 1.104 372 L CB 1.652 43.718 42.059 0.012 0.000 1.506 372 L HN -0.292 nan 8.230 nan 0.000 0.624 373 V N 1.206 121.129 119.914 0.015 0.000 2.612 373 V HA 0.503 4.617 4.120 -0.009 0.000 0.301 373 V C -1.137 174.961 176.094 0.006 0.000 1.059 373 V CA -0.809 61.502 62.300 0.019 0.000 0.886 373 V CB 1.847 33.693 31.823 0.038 0.000 1.007 373 V HN 0.331 nan 8.190 nan 0.000 0.426 374 N N 1.812 120.513 118.700 0.002 0.000 2.399 374 N HA 0.232 4.967 4.740 -0.009 0.000 0.284 374 N C 0.162 175.671 175.510 -0.002 0.000 1.025 374 N CA -0.577 52.470 53.050 -0.005 0.000 0.885 374 N CB 2.130 40.615 38.487 -0.004 0.000 1.339 374 N HN 0.370 nan 8.380 nan 0.000 0.487 375 S N 1.630 117.326 115.700 -0.006 0.000 2.555 375 S HA -0.056 4.408 4.470 -0.009 0.000 0.230 375 S C 1.674 176.282 174.600 0.015 0.000 0.978 375 S CA 0.256 58.460 58.200 0.006 0.000 0.934 375 S CB -0.195 63.004 63.200 -0.002 0.000 0.766 375 S HN 0.538 nan 8.310 nan 0.000 0.533 376 R N 2.165 122.671 120.500 0.009 0.000 2.096 376 R HA -0.090 4.245 4.340 -0.009 0.000 0.240 376 R C -0.956 175.356 176.300 0.020 0.000 1.139 376 R CA 1.878 57.987 56.100 0.016 0.000 0.952 376 R CB -1.431 28.876 30.300 0.012 0.000 0.854 376 R HN 0.316 nan 8.270 nan 0.000 0.436 377 P HA -0.142 nan 4.420 nan 0.000 0.213 377 P C 1.152 178.456 177.300 0.008 0.000 1.170 377 P CA 0.827 63.930 63.100 0.004 0.000 0.893 377 P CB -0.066 31.626 31.700 -0.014 0.000 0.784 378 L N -0.298 120.924 121.223 -0.001 0.000 2.042 378 L HA -0.209 4.126 4.340 -0.009 0.000 0.210 378 L C 2.214 179.114 176.870 0.050 0.000 1.076 378 L CA 2.003 56.847 54.840 0.006 0.000 0.749 378 L CB -1.225 40.836 42.059 0.003 0.000 0.893 378 L HN -0.139 nan 8.230 nan 0.000 0.432 379 E N -0.683 119.551 120.200 0.056 0.000 2.017 379 E HA -0.180 4.164 4.350 -0.009 0.000 0.193 379 E C 2.224 178.869 176.600 0.075 0.000 0.997 379 E CA 1.601 58.044 56.400 0.072 0.000 0.804 379 E CB -0.518 29.225 29.700 0.070 0.000 0.757 379 E HN 0.542 nan 8.360 nan 0.000 0.448 380 A N 0.586 123.445 122.820 0.064 0.000 1.940 380 A HA -0.147 4.168 4.320 -0.009 0.000 0.219 380 A C 2.305 179.944 177.584 0.092 0.000 1.176 380 A CA 2.108 54.187 52.037 0.070 0.000 0.631 380 A CB -0.858 18.174 19.000 0.053 0.000 0.814 380 A HN 0.314 nan 8.150 nan 0.000 0.446 381 A N -0.131 122.740 122.820 0.086 0.000 1.841 381 A HA -0.015 4.299 4.320 -0.009 0.000 0.214 381 A C 2.157 179.847 177.584 0.176 0.000 1.195 381 A CA 1.469 53.569 52.037 0.105 0.000 0.611 381 A CB -0.580 18.454 19.000 0.058 0.000 0.835 381 A HN 0.454 nan 8.150 nan 0.000 0.443 382 I N -0.845 119.832 120.570 0.179 0.000 2.202 382 I HA -0.227 3.937 4.170 -0.009 0.000 0.242 382 I C 2.719 179.040 176.117 0.340 0.000 1.091 382 I CA 1.686 63.150 61.300 0.274 0.000 1.368 382 I CB -0.291 37.821 38.000 0.187 0.000 1.058 382 I HN 0.431 nan 8.210 nan 0.000 0.410 383 R N 1.444 122.062 120.500 0.198 0.000 2.105 383 R HA -0.268 4.066 4.340 -0.009 0.000 0.239 383 R C 2.107 178.547 176.300 0.233 0.000 1.135 383 R CA 2.112 58.317 56.100 0.175 0.000 0.967 383 R CB -0.326 30.036 30.300 0.104 0.000 0.861 383 R HN 0.352 nan 8.270 nan 0.000 0.442 384 E N -0.779 119.552 120.200 0.219 0.000 2.153 384 E HA -0.211 4.133 4.350 -0.009 0.000 0.194 384 E C 1.531 178.277 176.600 0.244 0.000 0.988 384 E CA 1.243 57.760 56.400 0.195 0.000 0.811 384 E CB -0.203 29.595 29.700 0.163 0.000 0.746 384 E HN 0.470 nan 8.360 nan 0.000 0.466 385 F N -0.397 119.669 119.950 0.193 0.000 2.206 385 F HA -0.057 4.464 4.527 -0.009 0.000 0.298 385 F C 1.378 177.263 175.800 0.142 0.000 1.090 385 F CA 1.111 59.208 58.000 0.163 0.000 1.323 385 F CB -0.128 38.990 39.000 0.197 0.000 1.028 385 F HN 0.024 nan 8.300 nan 0.000 0.492 386 F N -0.005 119.967 119.950 0.038 0.000 2.512 386 F HA -0.029 4.492 4.527 -0.009 0.000 0.296 386 F C 2.635 178.413 175.800 -0.036 0.000 1.110 386 F CA 1.076 59.051 58.000 -0.041 0.000 1.446 386 F CB -0.655 38.391 39.000 0.076 0.000 1.092 386 F HN 0.100 nan 8.300 nan 0.000 0.554 387 S N -1.133 114.669 115.700 0.170 0.000 2.545 387 S HA 0.132 4.597 4.470 -0.009 0.000 0.232 387 S C 1.718 176.353 174.600 0.059 0.000 1.070 387 S CA -0.066 58.206 58.200 0.119 0.000 0.923 387 S CB 0.116 63.394 63.200 0.129 0.000 0.806 387 S HN 0.140 nan 8.310 nan 0.000 0.506 388 R N 1.596 122.120 120.500 0.040 0.000 2.344 388 R HA 0.411 4.746 4.340 -0.009 0.000 0.209 388 R C 0.565 176.849 176.300 -0.026 0.000 0.886 388 R CA 0.206 56.317 56.100 0.019 0.000 1.040 388 R CB 0.139 30.465 30.300 0.045 0.000 1.114 388 R HN 0.378 nan 8.270 nan 0.000 0.547 389 S N 1.008 116.656 115.700 -0.088 0.000 2.575 389 S HA -0.133 4.331 4.470 -0.009 0.000 0.295 389 S C 1.239 175.759 174.600 -0.133 0.000 1.267 389 S CA -0.063 58.058 58.200 -0.131 0.000 1.074 389 S CB 0.668 63.618 63.200 -0.415 0.000 0.829 389 S HN 0.418 nan 8.310 nan 0.000 0.497 390 Q N 3.368 123.131 119.800 -0.061 0.000 2.248 390 Q HA -0.163 4.172 4.340 -0.009 0.000 0.208 390 Q C 1.554 177.509 176.000 -0.075 0.000 0.984 390 Q CA 1.376 57.147 55.803 -0.053 0.000 0.875 390 Q CB -0.155 28.570 28.738 -0.021 0.000 0.910 390 Q HN 0.792 nan 8.270 nan 0.000 0.433 391 L N 0.082 121.247 121.223 -0.097 0.000 2.551 391 L HA 0.134 4.468 4.340 -0.009 0.000 0.228 391 L C 0.208 176.974 176.870 -0.173 0.000 1.153 391 L CA 0.825 55.603 54.840 -0.104 0.000 0.851 391 L CB 0.162 42.194 42.059 -0.045 0.000 0.959 391 L HN 0.013 nan 8.230 nan 0.000 0.451 392 S N 0.075 115.642 115.700 -0.221 0.000 2.500 392 S HA 0.662 5.126 4.470 -0.009 0.000 0.301 392 S C -0.740 173.819 174.600 -0.069 0.000 1.092 392 S CA -0.699 57.383 58.200 -0.196 0.000 1.030 392 S CB 0.862 63.852 63.200 -0.350 0.000 1.031 392 S HN 0.419 nan 8.310 nan 0.000 0.483 393 Q N 3.625 123.440 119.800 0.026 0.000 2.626 393 Q HA 0.392 4.726 4.340 -0.009 0.000 0.300 393 Q C -1.055 175.072 176.000 0.212 0.000 0.988 393 Q CA -0.827 55.022 55.803 0.076 0.000 0.761 393 Q CB 0.399 29.144 28.738 0.012 0.000 1.494 393 Q HN 0.661 nan 8.270 nan 0.000 0.439 394 F N 1.593 121.523 119.950 -0.034 0.000 2.604 394 F HA -0.061 4.460 4.527 -0.010 0.000 0.393 394 F C 1.361 177.061 175.800 -0.166 0.000 1.043 394 F CA -0.026 57.934 58.000 -0.067 0.000 1.227 394 F CB 0.432 39.392 39.000 -0.066 0.000 1.016 394 F HN 0.413 nan 8.300 nan 0.000 0.556 395 K N 3.676 124.080 120.400 0.007 0.000 2.453 395 K HA -0.093 4.221 4.320 -0.009 0.000 0.280 395 K C -0.383 176.060 176.600 -0.260 0.000 1.045 395 K CA -0.262 55.916 56.287 -0.182 0.000 1.059 395 K CB 0.277 32.726 32.500 -0.084 0.000 0.901 395 K HN 0.537 nan 8.250 nan 0.000 0.475 396 D N 4.601 124.687 120.400 -0.523 0.000 2.498 396 D HA -0.035 4.599 4.640 -0.009 0.000 0.229 396 D C -0.216 175.964 176.300 -0.200 0.000 1.188 396 D CA -0.139 53.671 54.000 -0.317 0.000 1.028 396 D CB 0.277 40.881 40.800 -0.327 0.000 1.087 396 D HN 0.504 nan 8.370 nan 0.000 0.510 397 E N 1.603 121.707 120.200 -0.159 0.000 2.663 397 E HA 0.084 4.429 4.350 -0.009 0.000 0.240 397 E C 0.421 176.939 176.600 -0.136 0.000 1.227 397 E CA -0.331 55.997 56.400 -0.120 0.000 1.528 397 E CB 0.243 29.887 29.700 -0.094 0.000 1.472 397 E HN 0.216 nan 8.360 nan 0.000 0.433 398 T N 0.789 115.238 114.554 -0.175 0.000 2.759 398 T HA -0.183 4.162 4.350 -0.009 0.000 0.269 398 T C 0.547 175.182 174.700 -0.109 0.000 1.042 398 T CA 1.860 63.824 62.100 -0.228 0.000 1.140 398 T CB -0.448 68.278 68.868 -0.236 0.000 0.864 398 T HN 0.650 nan 8.240 nan 0.000 0.455 399 N N -1.326 117.333 118.700 -0.068 0.000 3.127 399 N HA 0.253 4.987 4.740 -0.009 0.000 0.239 399 N C -3.109 172.388 175.510 -0.022 0.000 1.407 399 N CA -1.474 51.559 53.050 -0.030 0.000 0.891 399 N CB 0.861 39.347 38.487 -0.001 0.000 1.447 399 N HN -0.333 nan 8.380 nan 0.000 0.507 400 P HA -0.230 nan 4.420 nan 0.000 0.219 400 P C 1.449 178.748 177.300 -0.002 0.000 1.161 400 P CA 1.332 64.428 63.100 -0.007 0.000 0.909 400 P CB 0.119 31.820 31.700 0.002 0.000 0.793 401 L N -0.883 120.344 121.223 0.007 0.000 2.012 401 L HA -0.162 4.172 4.340 -0.009 0.000 0.210 401 L C 2.193 179.069 176.870 0.010 0.000 1.073 401 L CA 2.045 56.891 54.840 0.010 0.000 0.748 401 L CB -1.268 40.803 42.059 0.020 0.000 0.891 401 L HN -0.123 nan 8.230 nan 0.000 0.431 402 S N -0.540 115.163 115.700 0.004 0.000 2.370 402 S HA -0.208 4.257 4.470 -0.009 0.000 0.226 402 S C 2.073 176.682 174.600 0.015 0.000 1.033 402 S CA 1.503 59.705 58.200 0.004 0.000 1.011 402 S CB -0.603 62.581 63.200 -0.027 0.000 0.852 402 S HN 0.800 nan 8.310 nan 0.000 0.457 403 S N 1.793 117.490 115.700 -0.005 0.000 2.368 403 S HA -0.023 4.441 4.470 -0.009 0.000 0.224 403 S C 1.829 176.448 174.600 0.031 0.000 1.029 403 S CA 0.877 59.080 58.200 0.006 0.000 0.988 403 S CB -0.650 62.538 63.200 -0.021 0.000 0.838 403 S HN 0.301 nan 8.310 nan 0.000 0.462 404 L N 1.867 123.096 121.223 0.010 0.000 2.046 404 L HA 0.101 4.436 4.340 -0.009 0.000 0.208 404 L C 2.773 179.646 176.870 0.004 0.000 1.077 404 L CA 1.711 56.550 54.840 -0.001 0.000 0.747 404 L CB -0.732 41.321 42.059 -0.010 0.000 0.896 404 L HN 0.277 nan 8.230 nan 0.000 0.432 405 R N -1.713 118.799 120.500 0.021 0.000 2.090 405 R HA -0.182 4.153 4.340 -0.009 0.000 0.228 405 R C 2.448 178.767 176.300 0.032 0.000 1.110 405 R CA 1.234 57.346 56.100 0.020 0.000 0.973 405 R CB -0.477 29.839 30.300 0.028 0.000 0.869 405 R HN 0.597 nan 8.270 nan 0.000 0.440 406 H N 0.571 119.618 119.070 -0.038 0.000 2.387 406 H HA -0.104 4.446 4.556 -0.009 0.000 0.299 406 H C 1.558 176.848 175.328 -0.063 0.000 1.090 406 H CA 1.705 57.726 56.048 -0.045 0.000 1.332 406 H CB 0.360 30.096 29.762 -0.044 0.000 1.386 406 H HN 0.012 nan 8.280 nan 0.000 0.516 407 K N 0.628 121.008 120.400 -0.034 0.000 2.097 407 K HA -0.114 4.200 4.320 -0.009 0.000 0.206 407 K C 0.928 177.443 176.600 -0.141 0.000 1.049 407 K CA 1.238 57.459 56.287 -0.110 0.000 0.933 407 K CB 0.104 32.564 32.500 -0.066 0.000 0.717 407 K HN 0.370 nan 8.250 nan 0.000 0.442 408 R N 0.392 120.832 120.500 -0.100 0.000 3.559 408 R HA 0.275 4.610 4.340 -0.009 0.000 0.273 408 R C -0.573 175.676 176.300 -0.084 0.000 1.423 408 R CA -0.516 55.533 56.100 -0.085 0.000 1.581 408 R CB 0.483 30.750 30.300 -0.056 0.000 1.338 408 R HN -0.131 nan 8.270 nan 0.000 0.667 409 R N 2.308 122.733 120.500 -0.126 0.000 2.686 409 R HA 0.489 4.823 4.340 -0.009 0.000 0.283 409 R C -1.150 175.089 176.300 -0.102 0.000 0.978 409 R CA -0.703 55.329 56.100 -0.113 0.000 0.897 409 R CB 1.433 31.637 30.300 -0.159 0.000 1.192 409 R HN 0.429 nan 8.270 nan 0.000 0.457 410 I N 1.677 122.208 120.570 -0.065 0.000 2.493 410 I HA 0.379 4.543 4.170 -0.009 0.000 0.298 410 I C -0.298 175.798 176.117 -0.035 0.000 0.998 410 I CA -0.742 60.531 61.300 -0.044 0.000 1.137 410 I CB 2.084 40.070 38.000 -0.024 0.000 1.310 410 I HN 0.522 nan 8.210 nan 0.000 0.445 411 S N 2.979 118.667 115.700 -0.021 0.000 2.536 411 S HA 0.664 5.129 4.470 -0.009 0.000 0.271 411 S C 0.228 174.838 174.600 0.016 0.000 1.134 411 S CA -0.096 58.099 58.200 -0.009 0.000 0.897 411 S CB 1.927 65.114 63.200 -0.022 0.000 1.094 411 S HN 0.733 nan 8.310 nan 0.000 0.473 412 A N 3.410 126.244 122.820 0.024 0.000 2.021 412 A HA 0.338 4.652 4.320 -0.009 0.000 0.216 412 A C 0.430 178.036 177.584 0.037 0.000 1.163 412 A CA 0.470 52.533 52.037 0.044 0.000 0.676 412 A CB -0.666 18.362 19.000 0.046 0.000 0.818 412 A HN 0.718 nan 8.150 nan 0.000 0.453 413 L N 0.701 121.935 121.223 0.019 0.000 2.660 413 L HA 0.379 4.713 4.340 -0.009 0.000 0.272 413 L C 0.939 177.822 176.870 0.020 0.000 1.194 413 L CA 1.084 55.931 54.840 0.012 0.000 0.945 413 L CB -0.498 41.560 42.059 -0.001 0.000 1.212 413 L HN 0.335 nan 8.230 nan 0.000 0.490 414 G N 2.509 111.325 108.800 0.026 0.000 2.827 414 G HA2 0.424 4.378 3.960 -0.009 0.000 0.202 414 G HA3 0.424 4.378 3.960 -0.009 0.000 0.202 414 G C -2.026 172.895 174.900 0.036 0.000 1.185 414 G CA -0.250 44.873 45.100 0.040 0.000 0.920 414 G HN 0.344 nan 8.290 nan 0.000 0.550 415 P HA -0.044 nan 4.420 nan 0.000 0.222 415 P C 1.372 178.677 177.300 0.009 0.000 1.159 415 P CA 3.597 66.717 63.100 0.034 0.000 0.920 415 P CB 0.044 31.757 31.700 0.022 0.000 0.793 416 G N -3.942 104.852 108.800 -0.010 0.000 2.797 416 G HA2 -0.136 3.818 3.960 -0.009 0.000 0.195 416 G HA3 -0.136 3.818 3.960 -0.009 0.000 0.195 416 G C 1.302 176.168 174.900 -0.057 0.000 1.026 416 G CA 0.230 45.314 45.100 -0.027 0.000 0.759 416 G HN 0.549 nan 8.290 nan 0.000 0.475 417 G N 0.233 108.994 108.800 -0.066 0.000 2.464 417 G HA2 0.376 4.330 3.960 -0.009 0.000 0.217 417 G HA3 0.376 4.330 3.960 -0.009 0.000 0.217 417 G C 0.627 175.465 174.900 -0.103 0.000 1.138 417 G CA 1.017 46.052 45.100 -0.107 0.000 0.793 417 G HN 0.441 nan 8.290 nan 0.000 0.539 418 L N 0.797 121.984 121.223 -0.059 0.000 2.331 418 L HA 0.376 4.711 4.340 -0.009 0.000 0.275 418 L C 0.909 177.781 176.870 0.002 0.000 1.022 418 L CA -0.824 54.010 54.840 -0.010 0.000 0.812 418 L CB 0.710 42.788 42.059 0.031 0.000 1.257 418 L HN 0.093 nan 8.230 nan 0.000 0.435 419 T N 3.149 117.713 114.554 0.018 0.000 2.772 419 T HA -0.068 4.277 4.350 -0.009 0.000 0.268 419 T C 0.662 175.365 174.700 0.005 0.000 1.025 419 T CA 0.237 62.343 62.100 0.011 0.000 1.139 419 T CB 0.249 69.133 68.868 0.027 0.000 1.053 419 T HN 0.766 nan 8.240 nan 0.000 0.483 420 R N 3.530 124.028 120.500 -0.004 0.000 3.067 420 R HA 0.503 4.837 4.340 -0.009 0.000 0.222 420 R C 0.743 177.039 176.300 -0.007 0.000 1.551 420 R CA -0.712 55.383 56.100 -0.007 0.000 1.034 420 R CB -0.097 30.194 30.300 -0.014 0.000 1.889 420 R HN 0.623 nan 8.270 nan 0.000 0.526 421 E N 0.577 120.771 120.200 -0.010 0.000 2.447 421 E HA 0.068 4.412 4.350 -0.009 0.000 0.195 421 E C 1.607 178.199 176.600 -0.014 0.000 1.028 421 E CA 0.295 56.686 56.400 -0.014 0.000 0.876 421 E CB 0.244 29.934 29.700 -0.017 0.000 0.885 421 E HN 0.454 nan 8.360 nan 0.000 0.500 422 R N 0.553 121.048 120.500 -0.008 0.000 2.280 422 R HA 0.173 4.507 4.340 -0.009 0.000 0.207 422 R C 1.173 177.476 176.300 0.006 0.000 1.043 422 R CA 0.562 56.661 56.100 -0.002 0.000 1.006 422 R CB -0.077 30.225 30.300 0.002 0.000 0.885 422 R HN -0.107 nan 8.270 nan 0.000 0.467 423 A N 0.219 123.041 122.820 0.004 0.000 2.252 423 A HA 0.660 4.974 4.320 -0.009 0.000 0.305 423 A C 0.927 178.516 177.584 0.009 0.000 1.097 423 A CA 0.116 52.162 52.037 0.016 0.000 0.849 423 A CB 1.072 20.081 19.000 0.015 0.000 1.142 423 A HN 0.251 nan 8.150 nan 0.000 0.499 424 G N -1.513 107.306 108.800 0.033 0.000 3.514 424 G HA2 -0.180 3.774 3.960 -0.009 0.000 0.197 424 G HA3 -0.180 3.774 3.960 -0.009 0.000 0.197 424 G C 1.008 175.954 174.900 0.076 0.000 1.098 424 G CA 0.423 45.535 45.100 0.020 0.000 0.884 424 G HN 0.589 nan 8.290 nan 0.000 0.433 425 F N 2.381 122.342 119.950 0.018 0.000 2.192 425 F HA -0.090 4.431 4.527 -0.010 0.000 0.301 425 F C 2.631 178.446 175.800 0.025 0.000 1.079 425 F CA 2.140 60.153 58.000 0.022 0.000 1.303 425 F CB 0.362 39.372 39.000 0.017 0.000 1.024 425 F HN 0.370 nan 8.300 nan 0.000 0.494 426 D N -0.635 119.912 120.400 0.245 0.000 2.346 426 D HA -0.061 4.573 4.640 -0.009 0.000 0.206 426 D C 1.641 178.006 176.300 0.109 0.000 1.001 426 D CA 0.977 55.062 54.000 0.143 0.000 0.871 426 D CB -0.471 40.369 40.800 0.066 0.000 0.943 426 D HN 0.254 nan 8.370 nan 0.000 0.518 427 V N 0.518 120.496 119.914 0.106 0.000 2.599 427 V HA 0.064 4.178 4.120 -0.009 0.000 0.245 427 V C 2.625 178.798 176.094 0.131 0.000 1.046 427 V CA 0.539 62.897 62.300 0.096 0.000 1.065 427 V CB -0.694 31.171 31.823 0.069 0.000 0.703 427 V HN 0.021 nan 8.190 nan 0.000 0.464 428 R N 0.852 121.419 120.500 0.112 0.000 2.148 428 R HA -0.026 4.308 4.340 -0.009 0.000 0.227 428 R C 0.399 176.787 176.300 0.147 0.000 1.103 428 R CA 0.744 56.899 56.100 0.092 0.000 0.983 428 R CB -0.306 30.002 30.300 0.013 0.000 0.874 428 R HN 0.613 nan 8.270 nan 0.000 0.451 429 D N 0.632 121.150 120.400 0.196 0.000 2.360 429 D HA -0.016 4.618 4.640 -0.009 0.000 0.242 429 D C -0.187 176.269 176.300 0.260 0.000 1.184 429 D CA -0.022 54.103 54.000 0.208 0.000 0.930 429 D CB 1.519 42.433 40.800 0.190 0.000 1.161 429 D HN -0.172 nan 8.370 nan 0.000 0.447 430 V N 2.507 122.575 119.914 0.256 0.000 2.370 430 V HA 0.011 4.126 4.120 -0.009 0.000 0.257 430 V C -0.003 176.227 176.094 0.226 0.000 1.064 430 V CA -0.192 62.350 62.300 0.403 0.000 0.975 430 V CB -0.412 31.591 31.823 0.300 0.000 1.067 430 V HN 0.462 nan 8.190 nan 0.000 0.485 431 H N 6.926 125.856 119.070 -0.234 0.000 2.822 431 H HA 0.297 4.847 4.556 -0.009 0.000 0.373 431 H C 1.408 176.528 175.328 -0.346 0.000 1.223 431 H CA 0.194 55.981 56.048 -0.435 0.000 1.436 431 H CB 0.947 30.312 29.762 -0.660 0.000 1.439 431 H HN 0.662 nan 8.280 nan 0.000 0.618 432 R N 1.626 121.495 120.500 -1.053 0.000 2.082 432 R HA -0.110 4.225 4.340 -0.009 0.000 0.234 432 R C 1.968 177.951 176.300 -0.528 0.000 1.136 432 R CA 1.849 57.543 56.100 -0.676 0.000 0.935 432 R CB -1.628 28.287 30.300 -0.641 0.000 0.842 432 R HN 0.671 nan 8.270 nan 0.000 0.430 433 T N 1.590 115.683 114.554 -0.769 0.000 2.802 433 T HA -0.168 4.176 4.350 -0.009 0.000 0.269 433 T C 0.498 175.208 174.700 0.015 0.000 1.062 433 T CA 1.184 63.077 62.100 -0.346 0.000 1.133 433 T CB -0.593 68.029 68.868 -0.409 0.000 0.852 433 T HN 0.524 nan 8.240 nan 0.000 0.485 434 H N 0.478 119.559 119.070 0.018 0.000 3.847 434 H HA 0.155 4.705 4.556 -0.010 0.000 0.228 434 H C -0.850 174.595 175.328 0.196 0.000 1.313 434 H CA -0.323 55.793 56.048 0.113 0.000 1.530 434 H CB -0.610 29.221 29.762 0.116 0.000 1.732 434 H HN 0.264 nan 8.280 nan 0.000 0.631 435 Y N 0.785 121.169 120.300 0.139 0.000 2.362 435 Y HA 0.322 4.866 4.550 -0.010 0.000 0.326 435 Y C 0.717 176.659 175.900 0.069 0.000 1.083 435 Y CA -0.355 57.795 58.100 0.084 0.000 1.073 435 Y CB 1.348 39.853 38.460 0.075 0.000 1.211 435 Y HN 0.606 nan 8.280 nan 0.000 0.433 436 G N 4.363 112.939 108.800 -0.374 0.000 2.205 436 G HA2 -0.353 3.601 3.960 -0.009 0.000 0.269 436 G HA3 -0.353 3.601 3.960 -0.009 0.000 0.269 436 G C 1.045 175.921 174.900 -0.040 0.000 0.977 436 G CA 1.212 46.141 45.100 -0.286 0.000 0.652 436 G HN 0.679 nan 8.290 nan 0.000 0.539 437 R N -1.121 119.407 120.500 0.047 0.000 2.194 437 R HA 0.530 4.864 4.340 -0.009 0.000 0.194 437 R C 0.767 177.114 176.300 0.077 0.000 0.985 437 R CA 0.622 56.787 56.100 0.109 0.000 1.104 437 R CB 0.764 31.178 30.300 0.190 0.000 1.092 437 R HN 0.410 nan 8.270 nan 0.000 0.555 438 I N 0.626 121.238 120.570 0.069 0.000 2.610 438 I HA 0.118 4.282 4.170 -0.009 0.000 0.289 438 I C -0.547 175.600 176.117 0.050 0.000 1.163 438 I CA -0.999 60.304 61.300 0.004 0.000 1.044 438 I CB 2.594 40.495 38.000 -0.165 0.000 1.251 438 I HN 0.167 nan 8.210 nan 0.000 0.424 439 C N 7.969 127.316 119.300 0.079 0.000 2.657 439 C HA 0.148 4.602 4.460 -0.009 0.000 0.420 439 C C -1.047 174.030 174.990 0.146 0.000 1.323 439 C CA -0.613 58.513 59.018 0.180 0.000 1.894 439 C CB 0.470 28.314 27.740 0.173 0.000 2.681 439 C HN 0.622 nan 8.230 nan 0.000 0.613 440 P HA -0.068 nan 4.420 nan 0.000 0.215 440 P C 1.662 179.026 177.300 0.108 0.000 1.157 440 P CA 1.040 64.248 63.100 0.181 0.000 0.859 440 P CB 0.041 31.888 31.700 0.245 0.000 0.786 441 V N -0.129 119.837 119.914 0.085 0.000 2.407 441 V HA -0.171 3.943 4.120 -0.009 0.000 0.245 441 V C 2.336 178.440 176.094 0.016 0.000 1.041 441 V CA 1.621 63.936 62.300 0.024 0.000 1.040 441 V CB -1.048 30.743 31.823 -0.052 0.000 0.671 441 V HN 0.108 nan 8.190 nan 0.000 0.455 442 E N -0.095 120.118 120.200 0.022 0.000 2.448 442 E HA -0.151 4.193 4.350 -0.009 0.000 0.203 442 E C 0.939 177.546 176.600 0.011 0.000 1.046 442 E CA 0.626 57.035 56.400 0.016 0.000 0.871 442 E CB -0.166 29.549 29.700 0.025 0.000 0.790 442 E HN 0.548 nan 8.360 nan 0.000 0.545 443 T N 1.773 116.333 114.554 0.010 0.000 2.802 443 T HA 0.127 4.471 4.350 -0.009 0.000 0.305 443 T C -2.255 172.449 174.700 0.006 0.000 1.053 443 T CA -1.279 60.824 62.100 0.005 0.000 1.058 443 T CB 0.791 69.663 68.868 0.006 0.000 0.988 443 T HN 0.024 nan 8.240 nan 0.000 0.539 444 P HA 0.183 nan 4.420 nan 0.000 0.271 444 P C -0.738 176.563 177.300 0.001 0.000 1.244 444 P CA -0.144 62.958 63.100 0.003 0.000 0.793 444 P CB 0.407 32.106 31.700 -0.002 0.000 0.984 445 E N 0.318 120.519 120.200 0.001 0.000 2.121 445 E HA 0.562 4.907 4.350 -0.009 0.000 0.255 445 E C 0.036 176.632 176.600 -0.007 0.000 0.906 445 E CA -0.152 56.248 56.400 -0.000 0.000 0.745 445 E CB -0.384 29.319 29.700 0.004 0.000 1.155 445 E HN 0.625 nan 8.360 nan 0.000 0.424 446 G N 2.327 111.118 108.800 -0.014 0.000 2.260 446 G HA2 0.140 4.095 3.960 -0.009 0.000 0.250 446 G HA3 0.140 4.095 3.960 -0.009 0.000 0.250 446 G C 0.779 175.659 174.900 -0.033 0.000 1.340 446 G CA 0.045 45.132 45.100 -0.021 0.000 1.056 446 G HN 0.624 nan 8.290 nan 0.000 0.471 447 A N -0.285 122.514 122.820 -0.036 0.000 1.929 447 A HA -0.124 4.190 4.320 -0.009 0.000 0.221 447 A C 1.231 178.786 177.584 -0.047 0.000 1.211 447 A CA 2.284 54.294 52.037 -0.045 0.000 0.657 447 A CB -0.674 18.303 19.000 -0.037 0.000 0.827 447 A HN 0.708 nan 8.150 nan 0.000 0.462 448 N N -0.110 118.569 118.700 -0.034 0.000 2.420 448 N HA 0.533 5.268 4.740 -0.009 0.000 0.249 448 N C -1.219 174.275 175.510 -0.027 0.000 1.033 448 N CA 0.270 53.302 53.050 -0.030 0.000 0.944 448 N CB 0.994 39.468 38.487 -0.021 0.000 1.113 448 N HN 0.391 nan 8.380 nan 0.000 0.502 449 I N 0.226 120.777 120.570 -0.031 0.000 2.610 449 I HA 0.200 4.365 4.170 -0.009 0.000 0.289 449 I C 0.857 176.969 176.117 -0.009 0.000 1.163 449 I CA -0.383 60.905 61.300 -0.020 0.000 1.044 449 I CB 1.920 39.904 38.000 -0.028 0.000 1.251 449 I HN 0.656 nan 8.210 nan 0.000 0.424 450 G N 4.807 113.612 108.800 0.008 0.000 2.328 450 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.256 450 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.256 450 G C 0.812 175.723 174.900 0.018 0.000 1.014 450 G CA 0.747 45.863 45.100 0.027 0.000 0.620 450 G HN 0.518 nan 8.290 nan 0.000 0.530 451 L N 0.265 121.490 121.223 0.004 0.000 2.068 451 L HA 0.269 4.604 4.340 -0.009 0.000 0.204 451 L C 1.397 178.266 176.870 -0.002 0.000 1.076 451 L CA 1.105 55.947 54.840 0.003 0.000 0.753 451 L CB -0.275 41.780 42.059 -0.007 0.000 0.910 451 L HN 0.321 nan 8.230 nan 0.000 0.439 452 I N -0.449 120.115 120.570 -0.010 0.000 2.330 452 I HA 0.304 4.469 4.170 -0.009 0.000 0.289 452 I C -0.174 175.930 176.117 -0.021 0.000 1.001 452 I CA -0.057 61.232 61.300 -0.017 0.000 1.193 452 I CB 1.555 39.545 38.000 -0.017 0.000 1.345 452 I HN -0.130 nan 8.210 nan 0.000 0.461 453 T N 3.513 118.048 114.554 -0.031 0.000 2.900 453 T HA 0.502 4.846 4.350 -0.009 0.000 0.303 453 T C -0.696 173.982 174.700 -0.037 0.000 1.142 453 T CA -0.394 61.684 62.100 -0.037 0.000 1.007 453 T CB 1.670 70.497 68.868 -0.068 0.000 1.156 453 T HN 0.533 nan 8.240 nan 0.000 0.490 454 S N 3.330 119.015 115.700 -0.024 0.000 2.489 454 S HA 0.597 5.061 4.470 -0.009 0.000 0.291 454 S C -0.130 174.467 174.600 -0.006 0.000 1.151 454 S CA -0.900 57.289 58.200 -0.019 0.000 1.082 454 S CB 0.745 63.941 63.200 -0.008 0.000 1.019 454 S HN 0.771 nan 8.310 nan 0.000 0.492 455 L N 1.342 122.562 121.223 -0.005 0.000 2.464 455 L HA 0.753 5.087 4.340 -0.009 0.000 0.264 455 L C 0.571 177.460 176.870 0.031 0.000 1.199 455 L CA -0.742 54.106 54.840 0.013 0.000 0.818 455 L CB -0.915 41.154 42.059 0.016 0.000 1.102 455 L HN 0.669 nan 8.230 nan 0.000 0.473 456 A N 1.486 124.332 122.820 0.044 0.000 2.429 456 A HA 0.556 4.870 4.320 -0.009 0.000 0.242 456 A C 1.580 179.200 177.584 0.060 0.000 1.088 456 A CA 0.254 52.325 52.037 0.057 0.000 0.784 456 A CB -0.520 18.490 19.000 0.017 0.000 1.038 456 A HN 1.388 nan 8.150 nan 0.000 0.501 457 A N 0.107 122.977 122.820 0.082 0.000 1.848 457 A HA -0.168 4.146 4.320 -0.009 0.000 0.217 457 A C 1.698 179.292 177.584 0.016 0.000 1.220 457 A CA 2.271 54.335 52.037 0.045 0.000 0.645 457 A CB -1.285 17.776 19.000 0.102 0.000 0.842 457 A HN 0.914 nan 8.150 nan 0.000 0.451 458 Y N 0.187 120.479 120.300 -0.013 0.000 2.583 458 Y HA 0.372 4.916 4.550 -0.010 0.000 0.293 458 Y C 1.607 177.571 175.900 0.108 0.000 1.157 458 Y CA -0.336 57.789 58.100 0.042 0.000 1.315 458 Y CB -0.894 37.574 38.460 0.013 0.000 1.021 458 Y HN 0.342 nan 8.280 nan 0.000 0.536 459 A N 2.360 125.294 122.820 0.189 0.000 2.548 459 A HA 0.304 4.618 4.320 -0.009 0.000 0.247 459 A C 0.316 177.957 177.584 0.094 0.000 1.067 459 A CA -0.178 51.951 52.037 0.153 0.000 0.757 459 A CB -0.092 18.965 19.000 0.096 0.000 0.996 459 A HN 0.370 nan 8.150 nan 0.000 0.504 460 R N 2.410 122.964 120.500 0.090 0.000 2.574 460 R HA 0.446 4.780 4.340 -0.009 0.000 0.288 460 R C -1.629 174.668 176.300 -0.004 0.000 1.004 460 R CA -0.876 55.204 56.100 -0.033 0.000 0.895 460 R CB 1.350 31.509 30.300 -0.234 0.000 1.191 460 R HN 0.270 nan 8.270 nan 0.000 0.444 461 V N 5.149 125.050 119.914 -0.022 0.000 2.352 461 V HA -0.071 4.043 4.120 -0.009 0.000 0.253 461 V C 1.307 177.368 176.094 -0.057 0.000 1.083 461 V CA 0.203 62.488 62.300 -0.024 0.000 0.993 461 V CB -0.033 31.771 31.823 -0.030 0.000 1.111 461 V HN 0.857 nan 8.190 nan 0.000 0.490 462 D N 4.088 124.461 120.400 -0.046 0.000 2.087 462 D HA -0.154 4.480 4.640 -0.009 0.000 0.218 462 D C 1.160 177.418 176.300 -0.071 0.000 0.982 462 D CA 1.265 55.233 54.000 -0.055 0.000 0.900 462 D CB 0.480 41.278 40.800 -0.005 0.000 1.072 462 D HN 0.436 nan 8.370 nan 0.000 0.459 463 E N -0.879 119.264 120.200 -0.096 0.000 2.279 463 E HA 0.181 4.525 4.350 -0.009 0.000 0.199 463 E C 0.131 176.636 176.600 -0.158 0.000 0.893 463 E CA -0.176 56.166 56.400 -0.098 0.000 0.978 463 E CB 0.613 30.269 29.700 -0.074 0.000 0.964 463 E HN 0.198 nan 8.360 nan 0.000 0.486 464 L N 0.592 121.626 121.223 -0.315 0.000 2.427 464 L HA 0.453 4.788 4.340 -0.009 0.000 0.264 464 L C 0.427 176.791 176.870 -0.842 0.000 0.989 464 L CA -0.089 54.481 54.840 -0.449 0.000 0.865 464 L CB 1.035 42.851 42.059 -0.406 0.000 1.209 464 L HN 0.256 nan 8.230 nan 0.000 0.430 465 G N 3.603 112.137 108.800 -0.443 0.000 2.481 465 G HA2 -0.329 3.625 3.960 -0.009 0.000 0.328 465 G HA3 -0.329 3.625 3.960 -0.009 0.000 0.328 465 G C -0.023 174.717 174.900 -0.267 0.000 0.890 465 G CA 0.862 45.777 45.100 -0.308 0.000 0.833 465 G HN 0.394 nan 8.290 nan 0.000 0.509 466 F N -0.012 119.961 119.950 0.039 0.000 2.391 466 F HA 0.452 4.974 4.527 -0.010 0.000 0.359 466 F C 1.146 177.000 175.800 0.089 0.000 1.122 466 F CA -2.438 55.606 58.000 0.074 0.000 1.120 466 F CB 0.625 39.684 39.000 0.097 0.000 1.142 466 F HN -0.011 nan 8.300 nan 0.000 0.483 467 I N 5.064 125.795 120.570 0.269 0.000 2.845 467 I HA -0.045 4.120 4.170 -0.009 0.000 0.290 467 I C 0.598 176.862 176.117 0.245 0.000 1.202 467 I CA 0.636 62.058 61.300 0.204 0.000 1.406 467 I CB -0.113 37.993 38.000 0.177 0.000 1.383 467 I HN 0.511 nan 8.210 nan 0.000 0.549 468 R N 4.073 124.716 120.500 0.237 0.000 2.604 468 R HA 0.599 4.933 4.340 -0.009 0.000 0.287 468 R C -0.037 176.452 176.300 0.316 0.000 0.970 468 R CA -0.628 55.652 56.100 0.300 0.000 0.946 468 R CB 2.228 32.727 30.300 0.332 0.000 1.127 468 R HN 0.645 nan 8.270 nan 0.000 0.473 469 T N 0.897 115.623 114.554 0.286 0.000 2.907 469 T HA 0.547 4.891 4.350 -0.009 0.000 0.290 469 T C -2.675 171.954 174.700 -0.119 0.000 1.066 469 T CA -2.534 59.634 62.100 0.114 0.000 1.012 469 T CB 1.970 70.803 68.868 -0.058 0.000 1.184 469 T HN 0.189 nan 8.240 nan 0.000 0.522 470 P HA 0.421 nan 4.420 nan 0.000 0.275 470 P C -1.520 175.351 177.300 -0.716 0.000 1.228 470 P CA -0.030 62.662 63.100 -0.680 0.000 0.786 470 P CB 0.118 31.471 31.700 -0.578 0.000 0.927 471 Y N 0.395 120.567 120.300 -0.212 0.000 2.348 471 Y HA 0.239 4.783 4.550 -0.009 0.000 0.321 471 Y C 0.371 176.172 175.900 -0.166 0.000 1.163 471 Y CA -0.986 57.078 58.100 -0.061 0.000 1.070 471 Y CB 1.726 40.303 38.460 0.196 0.000 1.250 471 Y HN 0.247 nan 8.280 nan 0.000 0.425 472 R N 1.283 121.752 120.500 -0.052 0.000 2.500 472 R HA 0.721 5.055 4.340 -0.009 0.000 0.277 472 R C -0.504 175.549 176.300 -0.411 0.000 1.026 472 R CA -1.151 54.826 56.100 -0.204 0.000 1.058 472 R CB 1.371 31.580 30.300 -0.151 0.000 1.078 472 R HN 0.559 nan 8.270 nan 0.000 0.509 473 R N 0.865 121.036 120.500 -0.549 0.000 2.490 473 R HA 0.266 4.600 4.340 -0.009 0.000 0.278 473 R C -0.977 175.102 176.300 -0.368 0.000 1.069 473 R CA -0.430 55.215 56.100 -0.758 0.000 1.080 473 R CB 1.336 31.275 30.300 -0.601 0.000 1.030 473 R HN 0.550 nan 8.270 nan 0.000 0.491 474 V N 5.843 125.590 119.914 -0.279 0.000 2.501 474 V HA 0.358 4.472 4.120 -0.009 0.000 0.277 474 V C -1.336 174.731 176.094 -0.045 0.000 1.004 474 V CA -0.696 61.541 62.300 -0.106 0.000 0.862 474 V CB 1.686 33.485 31.823 -0.040 0.000 1.035 474 V HN 0.572 nan 8.190 nan 0.000 0.448 475 V N 8.063 127.946 119.914 -0.053 0.000 2.415 475 V HA 0.692 4.806 4.120 -0.009 0.000 0.267 475 V C 1.483 177.573 176.094 -0.007 0.000 1.042 475 V CA 1.149 63.436 62.300 -0.021 0.000 1.000 475 V CB -0.138 31.668 31.823 -0.029 0.000 1.015 475 V HN 1.632 nan 8.190 nan 0.000 0.478 476 G N 5.018 113.823 108.800 0.008 0.000 2.601 476 G HA2 -0.147 3.807 3.960 -0.009 0.000 0.261 476 G HA3 -0.147 3.807 3.960 -0.009 0.000 0.261 476 G C 0.803 175.707 174.900 0.006 0.000 1.289 476 G CA -0.152 44.953 45.100 0.008 0.000 0.920 476 G HN 1.454 nan 8.290 nan 0.000 0.571 477 G N -0.953 107.850 108.800 0.005 0.000 3.135 477 G HA2 0.419 4.374 3.960 -0.009 0.000 0.208 477 G HA3 0.419 4.374 3.960 -0.009 0.000 0.208 477 G C 0.272 175.171 174.900 -0.002 0.000 1.212 477 G CA 1.089 46.191 45.100 0.004 0.000 0.928 477 G HN 1.198 nan 8.290 nan 0.000 0.500 478 V N 0.506 120.415 119.914 -0.008 0.000 2.495 478 V HA 0.351 4.466 4.120 -0.009 0.000 0.298 478 V C -0.178 175.898 176.094 -0.029 0.000 1.031 478 V CA -0.763 61.527 62.300 -0.016 0.000 0.871 478 V CB 2.078 33.890 31.823 -0.018 0.000 0.988 478 V HN -0.031 nan 8.190 nan 0.000 0.432 479 V N 4.120 124.016 119.914 -0.031 0.000 2.472 479 V HA 0.529 4.643 4.120 -0.009 0.000 0.290 479 V C 0.375 176.435 176.094 -0.056 0.000 1.037 479 V CA -0.222 62.050 62.300 -0.046 0.000 0.908 479 V CB 1.852 33.657 31.823 -0.030 0.000 0.985 479 V HN 0.962 nan 8.190 nan 0.000 0.454 480 T N 2.196 116.699 114.554 -0.085 0.000 2.940 480 T HA 0.315 4.659 4.350 -0.009 0.000 0.288 480 T C 0.189 174.840 174.700 -0.081 0.000 1.033 480 T CA -0.406 61.644 62.100 -0.084 0.000 1.033 480 T CB 1.596 70.398 68.868 -0.110 0.000 1.079 480 T HN 0.645 nan 8.240 nan 0.000 0.496 481 D N 0.868 121.232 120.400 -0.061 0.000 2.325 481 D HA 0.090 4.724 4.640 -0.009 0.000 0.225 481 D C 0.515 176.782 176.300 -0.055 0.000 1.096 481 D CA 0.185 54.155 54.000 -0.051 0.000 0.844 481 D CB 0.359 41.142 40.800 -0.029 0.000 0.925 481 D HN 0.404 nan 8.370 nan 0.000 0.513 482 E N 0.616 120.769 120.200 -0.078 0.000 2.277 482 E HA 0.342 4.686 4.350 -0.009 0.000 0.274 482 E C -0.951 175.582 176.600 -0.110 0.000 1.022 482 E CA -0.352 56.003 56.400 -0.076 0.000 0.853 482 E CB 1.702 31.352 29.700 -0.082 0.000 1.086 482 E HN -0.213 nan 8.360 nan 0.000 0.397 483 V N 2.975 122.838 119.914 -0.085 0.000 2.760 483 V HA 0.281 4.395 4.120 -0.009 0.000 0.309 483 V C -0.445 175.596 176.094 -0.088 0.000 1.077 483 V CA -0.974 61.248 62.300 -0.130 0.000 0.910 483 V CB 2.001 33.720 31.823 -0.173 0.000 1.008 483 V HN 0.448 nan 8.190 nan 0.000 0.424 484 V N 4.068 123.936 119.914 -0.078 0.000 2.328 484 V HA 0.346 4.460 4.120 -0.009 0.000 0.278 484 V C -0.738 175.385 176.094 0.049 0.000 1.021 484 V CA -0.584 61.753 62.300 0.062 0.000 0.838 484 V CB 0.781 32.728 31.823 0.207 0.000 0.999 484 V HN 0.758 nan 8.190 nan 0.000 0.447 485 Y N 5.348 125.743 120.300 0.158 0.000 2.637 485 Y HA 0.303 4.847 4.550 -0.009 0.000 0.350 485 Y C 0.587 176.615 175.900 0.214 0.000 1.069 485 Y CA 0.382 58.582 58.100 0.167 0.000 1.397 485 Y CB 0.463 38.990 38.460 0.112 0.000 1.163 485 Y HN 0.529 nan 8.280 nan 0.000 0.527 486 M N 2.312 122.133 119.600 0.368 0.000 2.300 486 M HA 0.250 4.724 4.480 -0.009 0.000 0.348 486 M C 0.258 176.756 176.300 0.330 0.000 1.151 486 M CA -0.351 55.162 55.300 0.356 0.000 1.046 486 M CB 1.244 34.081 32.600 0.396 0.000 1.647 486 M HN 0.499 nan 8.290 nan 0.000 0.451 487 T N 1.940 116.660 114.554 0.276 0.000 2.900 487 T HA 0.116 4.460 4.350 -0.009 0.000 0.307 487 T C 1.195 176.050 174.700 0.258 0.000 1.065 487 T CA 0.186 62.448 62.100 0.270 0.000 1.105 487 T CB 1.113 70.127 68.868 0.243 0.000 0.979 487 T HN 0.813 nan 8.240 nan 0.000 0.544 488 A N 2.576 125.558 122.820 0.270 0.000 2.024 488 A HA -0.095 4.219 4.320 -0.009 0.000 0.220 488 A C 2.349 180.091 177.584 0.263 0.000 1.164 488 A CA 1.918 54.123 52.037 0.281 0.000 0.643 488 A CB -0.900 18.285 19.000 0.307 0.000 0.806 488 A HN 0.830 nan 8.150 nan 0.000 0.451 489 T N -1.007 113.640 114.554 0.155 0.000 2.852 489 T HA -0.043 4.301 4.350 -0.009 0.000 0.256 489 T C 1.785 176.463 174.700 -0.036 0.000 1.038 489 T CA 1.175 63.276 62.100 0.002 0.000 1.141 489 T CB -0.130 68.711 68.868 -0.045 0.000 0.869 489 T HN 0.631 nan 8.240 nan 0.000 0.439 490 E N 0.858 121.075 120.200 0.028 0.000 2.265 490 E HA -0.165 4.179 4.350 -0.009 0.000 0.196 490 E C 2.129 178.584 176.600 -0.240 0.000 0.996 490 E CA 0.705 57.066 56.400 -0.066 0.000 0.832 490 E CB 0.027 29.804 29.700 0.128 0.000 0.756 490 E HN 0.621 nan 8.360 nan 0.000 0.491 491 E N 0.674 120.823 120.200 -0.086 0.000 2.265 491 E HA -0.216 4.129 4.350 -0.009 0.000 0.196 491 E C 0.917 177.366 176.600 -0.253 0.000 0.996 491 E CA 1.576 57.883 56.400 -0.155 0.000 0.832 491 E CB 0.088 29.764 29.700 -0.039 0.000 0.756 491 E HN 0.248 nan 8.360 nan 0.000 0.491 492 D N 0.470 120.744 120.400 -0.211 0.000 2.117 492 D HA -0.131 4.504 4.640 -0.009 0.000 0.198 492 D C 1.824 177.910 176.300 -0.357 0.000 0.982 492 D CA 1.133 55.013 54.000 -0.201 0.000 0.828 492 D CB -0.108 40.605 40.800 -0.146 0.000 0.967 492 D HN 0.180 nan 8.370 nan 0.000 0.464 493 R N -0.587 119.551 120.500 -0.604 0.000 2.170 493 R HA -0.097 4.237 4.340 -0.009 0.000 0.242 493 R C 0.211 175.993 176.300 -0.863 0.000 1.145 493 R CA 0.838 56.447 56.100 -0.818 0.000 0.984 493 R CB -0.283 29.307 30.300 -1.184 0.000 0.869 493 R HN 0.365 nan 8.270 nan 0.000 0.455 494 Y N -1.208 118.938 120.300 -0.258 0.000 2.567 494 Y HA 0.275 4.820 4.550 -0.010 0.000 0.333 494 Y C 0.424 176.184 175.900 -0.234 0.000 1.106 494 Y CA -1.297 56.617 58.100 -0.310 0.000 1.157 494 Y CB 1.381 39.476 38.460 -0.608 0.000 1.277 494 Y HN -0.335 nan 8.280 nan 0.000 0.490 495 T N 3.885 118.448 114.554 0.015 0.000 2.794 495 T HA 0.413 4.757 4.350 -0.009 0.000 0.304 495 T C -0.169 174.536 174.700 0.010 0.000 0.973 495 T CA -0.290 61.806 62.100 -0.007 0.000 0.972 495 T CB -0.864 68.012 68.868 0.014 0.000 0.952 495 T HN 0.287 nan 8.240 nan 0.000 0.509 496 I N 2.304 122.858 120.570 -0.026 0.000 2.566 496 I HA 0.746 4.911 4.170 -0.009 0.000 0.303 496 I C 0.456 176.604 176.117 0.051 0.000 0.983 496 I CA -1.114 60.197 61.300 0.018 0.000 1.235 496 I CB 1.410 39.359 38.000 -0.086 0.000 1.386 496 I HN 0.498 nan 8.210 nan 0.000 0.494 497 A N 3.867 126.752 122.820 0.107 0.000 2.423 497 A HA 0.653 4.968 4.320 -0.009 0.000 0.304 497 A C -0.840 176.809 177.584 0.108 0.000 1.104 497 A CA -0.697 51.388 52.037 0.080 0.000 0.757 497 A CB 1.566 20.604 19.000 0.065 0.000 1.313 497 A HN 0.597 nan 8.150 nan 0.000 0.423 498 Q N 0.180 120.020 119.800 0.067 0.000 2.260 498 Q HA 0.457 4.792 4.340 -0.009 0.000 0.242 498 Q C 1.358 177.381 176.000 0.039 0.000 0.932 498 Q CA 0.366 56.207 55.803 0.063 0.000 0.891 498 Q CB 1.436 30.188 28.738 0.022 0.000 1.222 498 Q HN 0.880 nan 8.270 nan 0.000 0.453 499 A N 3.151 125.987 122.820 0.026 0.000 1.917 499 A HA -0.181 4.133 4.320 -0.009 0.000 0.219 499 A C 0.620 178.214 177.584 0.017 0.000 1.182 499 A CA 1.231 53.275 52.037 0.011 0.000 0.633 499 A CB -0.389 18.610 19.000 -0.002 0.000 0.819 499 A HN 0.751 nan 8.150 nan 0.000 0.448 500 N N 1.941 120.650 118.700 0.016 0.000 2.605 500 N HA 0.129 4.863 4.740 -0.009 0.000 0.282 500 N C -0.677 174.840 175.510 0.012 0.000 1.206 500 N CA 1.020 54.080 53.050 0.017 0.000 1.074 500 N CB -0.389 38.100 38.487 0.004 0.000 1.434 500 N HN 0.489 nan 8.380 nan 0.000 0.506 501 T N -2.271 112.292 114.554 0.017 0.000 3.335 501 T HA 0.289 4.634 4.350 -0.009 0.000 0.321 501 T C -3.105 171.604 174.700 0.016 0.000 0.960 501 T CA -1.749 60.360 62.100 0.014 0.000 1.034 501 T CB 1.850 70.727 68.868 0.015 0.000 1.040 501 T HN -0.073 nan 8.240 nan 0.000 0.454 502 P HA 0.077 nan 4.420 nan 0.000 0.257 502 P C -0.785 176.523 177.300 0.015 0.000 1.162 502 P CA -0.123 62.988 63.100 0.018 0.000 0.762 502 P CB 0.261 31.971 31.700 0.016 0.000 0.753 503 L N 4.121 125.353 121.223 0.016 0.000 2.376 503 L HA 0.200 4.534 4.340 -0.009 0.000 0.275 503 L C 1.170 178.047 176.870 0.012 0.000 0.987 503 L CA -0.096 54.751 54.840 0.011 0.000 0.828 503 L CB 1.860 43.925 42.059 0.009 0.000 1.249 503 L HN 0.447 nan 8.230 nan 0.000 0.409 504 E N 2.004 122.210 120.200 0.009 0.000 2.478 504 E HA 0.182 4.527 4.350 -0.009 0.000 0.194 504 E C 1.034 177.638 176.600 0.007 0.000 1.045 504 E CA 0.633 57.038 56.400 0.010 0.000 0.868 504 E CB 0.994 30.700 29.700 0.008 0.000 0.885 504 E HN 1.006 nan 8.360 nan 0.000 0.505 505 G N 1.106 109.909 108.800 0.004 0.000 1.838 505 G HA2 -0.181 3.773 3.960 -0.009 0.000 0.067 505 G HA3 -0.181 3.773 3.960 -0.009 0.000 0.067 505 G C 0.489 175.385 174.900 -0.005 0.000 1.666 505 G CA -0.269 44.831 45.100 0.000 0.000 1.135 505 G HN 0.030 nan 8.290 nan 0.000 0.333 506 N N 1.013 119.709 118.700 -0.006 0.000 2.373 506 N HA 0.158 4.893 4.740 -0.009 0.000 0.181 506 N C 0.863 176.368 175.510 -0.008 0.000 1.082 506 N CA 0.184 53.227 53.050 -0.011 0.000 0.885 506 N CB 0.446 38.926 38.487 -0.012 0.000 0.977 506 N HN 0.309 nan 8.380 nan 0.000 0.462 507 R N 0.991 121.489 120.500 -0.003 0.000 2.297 507 R HA 0.262 4.596 4.340 -0.009 0.000 0.308 507 R C -0.043 176.259 176.300 0.002 0.000 1.029 507 R CA -0.453 55.647 56.100 0.000 0.000 0.929 507 R CB 1.055 31.357 30.300 0.002 0.000 1.046 507 R HN -0.054 nan 8.270 nan 0.000 0.461 508 I N 2.475 123.047 120.570 0.003 0.000 2.575 508 I HA 0.031 4.195 4.170 -0.009 0.000 0.285 508 I C 0.982 177.103 176.117 0.007 0.000 1.085 508 I CA 0.657 61.961 61.300 0.006 0.000 1.403 508 I CB 1.642 39.647 38.000 0.008 0.000 1.409 508 I HN 0.805 nan 8.210 nan 0.000 0.557 509 A N 5.438 128.263 122.820 0.008 0.000 2.324 509 A HA 0.590 4.904 4.320 -0.009 0.000 0.220 509 A C 0.667 178.256 177.584 0.008 0.000 1.209 509 A CA 0.199 52.241 52.037 0.008 0.000 0.918 509 A CB 0.283 19.289 19.000 0.010 0.000 0.959 509 A HN 0.681 nan 8.150 nan 0.000 0.507 510 A N -0.107 122.717 122.820 0.008 0.000 2.374 510 A HA 0.588 4.903 4.320 -0.009 0.000 0.305 510 A C 0.523 178.110 177.584 0.005 0.000 1.053 510 A CA -0.361 51.680 52.037 0.006 0.000 0.726 510 A CB 0.744 19.748 19.000 0.006 0.000 1.229 510 A HN 0.228 nan 8.150 nan 0.000 0.431 511 E N 1.695 121.897 120.200 0.004 0.000 2.045 511 E HA -0.201 4.144 4.350 -0.009 0.000 0.212 511 E C 0.043 176.645 176.600 0.002 0.000 1.039 511 E CA 1.219 57.621 56.400 0.003 0.000 0.860 511 E CB -0.094 29.607 29.700 0.002 0.000 0.776 511 E HN 0.600 nan 8.360 nan 0.000 0.467 512 R N 1.391 121.891 120.500 0.001 0.000 2.593 512 R HA 0.295 4.629 4.340 -0.009 0.000 0.282 512 R C -0.814 175.485 176.300 -0.002 0.000 1.300 512 R CA -0.113 55.986 56.100 -0.001 0.000 1.221 512 R CB 0.757 31.055 30.300 -0.003 0.000 1.157 512 R HN -0.039 nan 8.270 nan 0.000 0.555 513 V N 3.118 123.032 119.914 -0.000 0.000 2.628 513 V HA 0.246 4.360 4.120 -0.009 0.000 0.306 513 V C 0.424 176.516 176.094 -0.002 0.000 1.045 513 V CA -0.992 61.308 62.300 -0.000 0.000 0.905 513 V CB 2.521 34.346 31.823 0.004 0.000 0.997 513 V HN 0.340 nan 8.190 nan 0.000 0.436 514 V N 2.968 122.878 119.914 -0.007 0.000 2.740 514 V HA 0.664 4.778 4.120 -0.009 0.000 0.303 514 V C 0.528 176.617 176.094 -0.008 0.000 1.054 514 V CA 0.231 62.523 62.300 -0.013 0.000 1.106 514 V CB 0.503 32.312 31.823 -0.023 0.000 0.957 514 V HN 1.099 nan 8.190 nan 0.000 0.486 515 A N 4.927 127.738 122.820 -0.015 0.000 2.566 515 A HA 0.935 5.249 4.320 -0.009 0.000 0.292 515 A C -0.675 176.884 177.584 -0.042 0.000 1.112 515 A CA -1.033 50.997 52.037 -0.013 0.000 0.707 515 A CB 1.921 20.921 19.000 -0.001 0.000 1.302 515 A HN 0.691 nan 8.150 nan 0.000 0.409 516 R N 1.614 122.079 120.500 -0.059 0.000 2.521 516 R HA 0.334 4.668 4.340 -0.009 0.000 0.295 516 R C -0.568 175.669 176.300 -0.105 0.000 1.183 516 R CA -0.782 55.258 56.100 -0.101 0.000 0.957 516 R CB 1.206 31.406 30.300 -0.167 0.000 1.171 516 R HN 0.741 nan 8.270 nan 0.000 0.494 517 R N 1.528 121.976 120.500 -0.087 0.000 3.151 517 R HA -0.018 4.316 4.340 -0.009 0.000 0.283 517 R C 0.305 176.541 176.300 -0.107 0.000 1.140 517 R CA -0.250 55.796 56.100 -0.090 0.000 1.162 517 R CB -0.022 30.235 30.300 -0.071 0.000 1.121 517 R HN 0.457 nan 8.270 nan 0.000 0.552 518 K N 0.246 120.587 120.400 -0.099 0.000 2.319 518 K HA 0.176 4.490 4.320 -0.009 0.000 0.277 518 K C 0.859 177.411 176.600 -0.081 0.000 1.111 518 K CA 0.681 56.920 56.287 -0.079 0.000 1.093 518 K CB -0.575 31.901 32.500 -0.041 0.000 0.910 518 K HN 0.744 nan 8.250 nan 0.000 0.452 519 G N 1.336 110.059 108.800 -0.128 0.000 2.220 519 G HA2 -0.307 3.647 3.960 -0.009 0.000 0.269 519 G HA3 -0.307 3.647 3.960 -0.009 0.000 0.269 519 G C -0.268 174.557 174.900 -0.125 0.000 0.977 519 G CA 0.283 45.293 45.100 -0.150 0.000 0.634 519 G HN 0.649 nan 8.290 nan 0.000 0.539 520 E N 0.746 120.883 120.200 -0.104 0.000 2.199 520 E HA 0.378 4.722 4.350 -0.009 0.000 0.265 520 E C -2.736 173.812 176.600 -0.087 0.000 0.882 520 E CA -1.982 54.366 56.400 -0.086 0.000 0.759 520 E CB 2.270 31.932 29.700 -0.062 0.000 1.148 520 E HN 0.031 nan 8.360 nan 0.000 0.412 521 P HA 0.010 nan 4.420 nan 0.000 0.263 521 P C -0.994 176.272 177.300 -0.057 0.000 1.195 521 P CA 0.165 63.219 63.100 -0.077 0.000 0.762 521 P CB 0.510 32.169 31.700 -0.069 0.000 0.799 522 V N 5.547 125.430 119.914 -0.052 0.000 2.777 522 V HA 0.236 4.351 4.120 -0.009 0.000 0.306 522 V C 0.007 176.083 176.094 -0.029 0.000 1.112 522 V CA -0.801 61.476 62.300 -0.039 0.000 0.917 522 V CB 2.348 34.148 31.823 -0.038 0.000 1.018 522 V HN 0.497 nan 8.190 nan 0.000 0.426 523 I N 6.009 126.565 120.570 -0.023 0.000 2.389 523 I HA 0.378 4.542 4.170 -0.009 0.000 0.295 523 I C -0.454 175.655 176.117 -0.012 0.000 1.117 523 I CA 0.570 61.860 61.300 -0.017 0.000 1.317 523 I CB 0.612 38.603 38.000 -0.015 0.000 1.431 523 I HN 0.446 nan 8.210 nan 0.000 0.521 524 V N 6.696 126.605 119.914 -0.009 0.000 3.211 524 V HA 0.524 4.639 4.120 -0.009 0.000 0.319 524 V C 0.326 176.420 176.094 0.001 0.000 1.096 524 V CA -0.241 62.057 62.300 -0.003 0.000 1.029 524 V CB 2.447 34.270 31.823 -0.000 0.000 1.137 524 V HN 0.915 nan 8.190 nan 0.000 0.453 525 S N 2.701 118.404 115.700 0.004 0.000 2.651 525 S HA 0.495 4.959 4.470 -0.009 0.000 0.291 525 S C -2.128 172.478 174.600 0.010 0.000 1.141 525 S CA -1.320 56.884 58.200 0.006 0.000 1.027 525 S CB 1.279 64.482 63.200 0.004 0.000 1.043 525 S HN 0.567 nan 8.310 nan 0.000 0.530 526 P HA -0.161 nan 4.420 nan 0.000 0.218 526 P C 0.588 177.897 177.300 0.015 0.000 1.146 526 P CA 1.299 64.407 63.100 0.012 0.000 0.820 526 P CB -0.126 31.580 31.700 0.009 0.000 0.778 527 E N -0.759 119.449 120.200 0.013 0.000 2.478 527 E HA -0.032 4.312 4.350 -0.009 0.000 0.194 527 E C 1.250 177.862 176.600 0.020 0.000 1.045 527 E CA 0.429 56.837 56.400 0.015 0.000 0.868 527 E CB -0.236 29.470 29.700 0.011 0.000 0.885 527 E HN 0.459 nan 8.360 nan 0.000 0.505 528 E N 0.713 120.926 120.200 0.022 0.000 2.413 528 E HA 0.052 4.396 4.350 -0.009 0.000 0.203 528 E C 0.162 176.787 176.600 0.041 0.000 0.957 528 E CA -0.037 56.380 56.400 0.027 0.000 0.950 528 E CB 0.740 30.451 29.700 0.018 0.000 0.957 528 E HN -0.021 nan 8.360 nan 0.000 0.497 529 V N 3.830 123.769 119.914 0.042 0.000 2.456 529 V HA -0.105 4.010 4.120 -0.009 0.000 0.247 529 V C 1.030 177.180 176.094 0.094 0.000 1.056 529 V CA 0.959 63.295 62.300 0.060 0.000 1.203 529 V CB -0.926 30.924 31.823 0.045 0.000 1.185 529 V HN 0.238 nan 8.190 nan 0.000 0.477 530 E N 2.447 122.730 120.200 0.139 0.000 2.072 530 E HA 0.035 4.379 4.350 -0.009 0.000 0.190 530 E C -0.025 176.873 176.600 0.498 0.000 0.982 530 E CA 0.963 57.511 56.400 0.247 0.000 0.803 530 E CB 0.186 29.996 29.700 0.184 0.000 0.755 530 E HN 0.557 nan 8.360 nan 0.000 0.453 531 F N -0.459 119.465 119.950 -0.043 0.000 2.588 531 F HA 0.524 5.045 4.527 -0.010 0.000 0.314 531 F C -0.191 175.623 175.800 0.023 0.000 1.069 531 F CA -1.166 56.816 58.000 -0.031 0.000 0.931 531 F CB 1.706 40.661 39.000 -0.076 0.000 1.260 531 F HN -0.172 nan 8.300 nan 0.000 0.465 532 M N 0.766 120.488 119.600 0.203 0.000 2.690 532 M HA 0.471 4.945 4.480 -0.009 0.000 0.302 532 M C -1.601 174.854 176.300 0.258 0.000 1.234 532 M CA -0.728 54.678 55.300 0.178 0.000 0.853 532 M CB 1.891 34.532 32.600 0.068 0.000 1.748 532 M HN 0.450 nan 8.290 nan 0.000 0.469 533 D N 1.362 121.884 120.400 0.203 0.000 2.308 533 D HA 0.186 4.820 4.640 -0.009 0.000 0.251 533 D C 0.975 177.223 176.300 -0.087 0.000 1.127 533 D CA -0.197 53.859 54.000 0.094 0.000 0.876 533 D CB 1.515 42.385 40.800 0.116 0.000 1.176 533 D HN 0.325 nan 8.370 nan 0.000 0.446 534 V N 1.646 121.409 119.914 -0.252 0.000 2.233 534 V HA -0.147 3.967 4.120 -0.009 0.000 0.247 534 V C 0.935 176.871 176.094 -0.264 0.000 1.050 534 V CA 1.968 64.088 62.300 -0.300 0.000 1.010 534 V CB -0.553 30.961 31.823 -0.514 0.000 0.637 534 V HN 0.796 nan 8.190 nan 0.000 0.444 535 S N -3.695 111.807 115.700 -0.330 0.000 2.595 535 S HA 0.391 4.856 4.470 -0.009 0.000 0.270 535 S C -2.584 171.920 174.600 -0.160 0.000 1.145 535 S CA -0.809 57.277 58.200 -0.190 0.000 0.825 535 S CB 1.291 64.396 63.200 -0.158 0.000 1.107 535 S HN -0.036 nan 8.310 nan 0.000 0.461 536 P HA -0.075 nan 4.420 nan 0.000 0.216 536 P C 0.847 178.119 177.300 -0.046 0.000 1.150 536 P CA 1.404 64.554 63.100 0.083 0.000 0.843 536 P CB -0.088 31.887 31.700 0.459 0.000 0.787 537 K N 0.137 120.553 120.400 0.027 0.000 2.173 537 K HA -0.225 4.089 4.320 -0.009 0.000 0.207 537 K C 2.179 178.807 176.600 0.047 0.000 1.046 537 K CA 1.608 57.962 56.287 0.112 0.000 0.929 537 K CB -0.767 31.914 32.500 0.302 0.000 0.720 537 K HN 0.436 nan 8.250 nan 0.000 0.453 538 Q N 0.205 119.914 119.800 -0.153 0.000 2.297 538 Q HA -0.055 4.279 4.340 -0.009 0.000 0.204 538 Q C 1.571 177.350 176.000 -0.369 0.000 0.962 538 Q CA 1.162 56.847 55.803 -0.196 0.000 0.879 538 Q CB -0.054 28.413 28.738 -0.453 0.000 0.947 538 Q HN 0.100 nan 8.270 nan 0.000 0.462 539 V N 0.335 119.883 119.914 -0.610 0.000 2.626 539 V HA -0.044 4.070 4.120 -0.009 0.000 0.252 539 V C 0.870 176.591 176.094 -0.621 0.000 1.067 539 V CA 1.317 63.098 62.300 -0.866 0.000 1.081 539 V CB -0.603 30.538 31.823 -1.137 0.000 0.686 539 V HN 0.252 nan 8.190 nan 0.000 0.468 540 F N -1.162 118.794 119.950 0.009 0.000 2.746 540 F HA 0.572 5.094 4.527 -0.009 0.000 0.378 540 F C 0.892 176.707 175.800 0.024 0.000 1.165 540 F CA -0.940 57.078 58.000 0.031 0.000 1.089 540 F CB 0.812 39.841 39.000 0.049 0.000 1.439 540 F HN -0.196 nan 8.300 nan 0.000 0.516 541 S N -0.467 115.399 115.700 0.277 0.000 2.713 541 S HA 0.321 4.786 4.470 -0.009 0.000 0.277 541 S C 0.664 175.328 174.600 0.106 0.000 1.168 541 S CA -0.781 57.499 58.200 0.134 0.000 0.994 541 S CB 1.410 64.662 63.200 0.086 0.000 1.054 541 S HN 0.358 nan 8.310 nan 0.000 0.555 542 V N 0.919 120.862 119.914 0.049 0.000 2.453 542 V HA -0.122 3.993 4.120 -0.009 0.000 0.247 542 V C 2.254 178.360 176.094 0.020 0.000 1.048 542 V CA 2.000 64.312 62.300 0.020 0.000 1.049 542 V CB -1.367 30.449 31.823 -0.011 0.000 0.672 542 V HN 0.865 nan 8.190 nan 0.000 0.457 543 N N -0.202 118.512 118.700 0.024 0.000 2.396 543 N HA -0.120 4.615 4.740 -0.009 0.000 0.180 543 N C 1.625 177.144 175.510 0.015 0.000 1.028 543 N CA 1.530 54.591 53.050 0.019 0.000 0.893 543 N CB 0.098 38.596 38.487 0.019 0.000 0.967 543 N HN 0.540 nan 8.380 nan 0.000 0.440 544 T N -1.130 113.437 114.554 0.021 0.000 3.033 544 T HA 0.066 4.410 4.350 -0.009 0.000 0.248 544 T C 1.450 176.143 174.700 -0.012 0.000 1.040 544 T CA 0.061 62.148 62.100 -0.020 0.000 1.133 544 T CB -0.141 68.684 68.868 -0.071 0.000 0.895 544 T HN 0.182 nan 8.240 nan 0.000 0.465 545 N N 1.468 120.205 118.700 0.061 0.000 2.430 545 N HA -0.011 4.723 4.740 -0.009 0.000 0.186 545 N C 1.436 176.948 175.510 0.004 0.000 1.032 545 N CA 0.700 53.793 53.050 0.071 0.000 0.893 545 N CB -0.231 38.314 38.487 0.097 0.000 0.957 545 N HN 0.425 nan 8.380 nan 0.000 0.442 546 L N 0.485 121.703 121.223 -0.008 0.000 2.552 546 L HA 0.092 4.426 4.340 -0.009 0.000 0.227 546 L C 0.463 177.316 176.870 -0.028 0.000 1.146 546 L CA 0.165 54.988 54.840 -0.027 0.000 0.858 546 L CB -0.135 41.915 42.059 -0.016 0.000 0.969 546 L HN 0.003 nan 8.230 nan 0.000 0.451 547 I N 0.211 120.770 120.570 -0.018 0.000 2.416 547 I HA 0.089 4.253 4.170 -0.009 0.000 0.288 547 I C -1.261 174.841 176.117 -0.024 0.000 1.051 547 I CA -1.789 59.521 61.300 0.016 0.000 1.375 547 I CB 0.536 38.559 38.000 0.038 0.000 1.407 547 I HN -0.179 nan 8.210 nan 0.000 0.516 548 P HA -0.192 nan 4.420 nan 0.000 0.203 548 P C -0.045 177.061 177.300 -0.324 0.000 1.002 548 P CA 1.636 64.565 63.100 -0.285 0.000 0.964 548 P CB 0.058 31.517 31.700 -0.402 0.000 0.727 549 F N -1.675 118.320 119.950 0.075 0.000 2.387 549 F HA 0.314 4.835 4.527 -0.009 0.000 0.332 549 F C 1.343 177.166 175.800 0.038 0.000 1.174 549 F CA -0.709 57.336 58.000 0.074 0.000 1.257 549 F CB -0.555 38.522 39.000 0.127 0.000 1.569 549 F HN -0.176 nan 8.300 nan 0.000 0.554 550 L N 1.654 122.903 121.223 0.043 0.000 2.081 550 L HA -0.250 4.085 4.340 -0.009 0.000 0.212 550 L C 2.135 179.004 176.870 -0.002 0.000 1.080 550 L CA 2.042 56.844 54.840 -0.064 0.000 0.754 550 L CB -0.469 41.423 42.059 -0.278 0.000 0.893 550 L HN 0.513 nan 8.230 nan 0.000 0.433 551 E N -1.523 118.683 120.200 0.011 0.000 2.147 551 E HA -0.275 4.069 4.350 -0.009 0.000 0.199 551 E C 1.541 178.090 176.600 -0.085 0.000 1.005 551 E CA 1.817 58.288 56.400 0.118 0.000 0.810 551 E CB -0.686 29.067 29.700 0.089 0.000 0.736 551 E HN 0.683 nan 8.360 nan 0.000 0.460 552 H N 0.316 119.427 119.070 0.068 0.000 2.533 552 H HA 0.166 4.717 4.556 -0.009 0.000 0.271 552 H C -0.361 174.949 175.328 -0.030 0.000 1.000 552 H CA 0.215 56.259 56.048 -0.006 0.000 1.149 552 H CB 0.147 29.852 29.762 -0.094 0.000 1.375 552 H HN 0.114 nan 8.280 nan 0.000 0.582 553 D N 1.151 121.588 120.400 0.062 0.000 2.375 553 D HA 0.051 4.686 4.640 -0.009 0.000 0.247 553 D C -0.272 176.041 176.300 0.023 0.000 1.061 553 D CA -0.631 53.383 54.000 0.022 0.000 0.834 553 D CB 1.849 42.648 40.800 -0.002 0.000 1.247 553 D HN 0.105 nan 8.370 nan 0.000 0.489 554 D N 0.865 121.278 120.400 0.021 0.000 2.520 554 D HA 0.068 4.702 4.640 -0.009 0.000 0.243 554 D C 1.180 177.491 176.300 0.018 0.000 1.160 554 D CA -0.053 53.961 54.000 0.023 0.000 0.877 554 D CB 0.860 41.672 40.800 0.021 0.000 1.150 554 D HN 0.375 nan 8.370 nan 0.000 0.494 555 A N 4.351 127.185 122.820 0.023 0.000 1.997 555 A HA -0.325 3.989 4.320 -0.009 0.000 0.221 555 A C 2.033 179.623 177.584 0.009 0.000 1.172 555 A CA 1.955 53.996 52.037 0.008 0.000 0.645 555 A CB -0.711 18.310 19.000 0.035 0.000 0.813 555 A HN 0.759 nan 8.150 nan 0.000 0.454 556 N N -0.811 117.901 118.700 0.020 0.000 2.120 556 N HA -0.175 4.559 4.740 -0.009 0.000 0.188 556 N C 1.781 177.301 175.510 0.017 0.000 1.024 556 N CA 1.747 54.809 53.050 0.021 0.000 0.852 556 N CB -0.192 38.310 38.487 0.024 0.000 1.003 556 N HN 0.352 nan 8.380 nan 0.000 0.424 557 R N -0.263 120.248 120.500 0.018 0.000 2.210 557 R HA 0.337 4.672 4.340 -0.009 0.000 0.203 557 R C 1.642 177.958 176.300 0.026 0.000 1.010 557 R CA 0.801 56.916 56.100 0.024 0.000 1.008 557 R CB -0.467 29.852 30.300 0.031 0.000 0.923 557 R HN 0.251 nan 8.270 nan 0.000 0.469 558 A N 0.403 123.229 122.820 0.009 0.000 2.067 558 A HA -0.077 4.238 4.320 -0.009 0.000 0.219 558 A C 1.794 179.370 177.584 -0.014 0.000 1.158 558 A CA 0.972 53.006 52.037 -0.004 0.000 0.661 558 A CB -0.467 18.497 19.000 -0.061 0.000 0.801 558 A HN 0.332 nan 8.150 nan 0.000 0.452 559 L N -0.463 120.755 121.223 -0.009 0.000 1.994 559 L HA -0.119 4.215 4.340 -0.009 0.000 0.208 559 L C 2.343 179.218 176.870 0.008 0.000 1.071 559 L CA 2.190 57.028 54.840 -0.004 0.000 0.745 559 L CB -0.683 41.378 42.059 0.004 0.000 0.892 559 L HN 0.415 nan 8.230 nan 0.000 0.431 560 M N -0.569 119.041 119.600 0.016 0.000 2.144 560 M HA -0.171 4.303 4.480 -0.009 0.000 0.260 560 M C 2.135 178.450 176.300 0.025 0.000 1.067 560 M CA 1.716 57.029 55.300 0.021 0.000 1.095 560 M CB -1.258 31.357 32.600 0.024 0.000 1.365 560 M HN 0.551 nan 8.290 nan 0.000 0.406 561 G N -0.422 108.398 108.800 0.032 0.000 2.433 561 G HA2 -0.189 3.765 3.960 -0.009 0.000 0.216 561 G HA3 -0.189 3.765 3.960 -0.009 0.000 0.216 561 G C 1.587 176.504 174.900 0.028 0.000 1.186 561 G CA 1.082 46.205 45.100 0.039 0.000 0.779 561 G HN 0.427 nan 8.290 nan 0.000 0.543 562 S N 0.540 116.249 115.700 0.016 0.000 2.400 562 S HA -0.110 4.354 4.470 -0.009 0.000 0.232 562 S C 2.138 176.751 174.600 0.020 0.000 1.025 562 S CA 0.973 59.181 58.200 0.013 0.000 0.993 562 S CB -0.271 62.928 63.200 -0.002 0.000 0.808 562 S HN 0.459 nan 8.310 nan 0.000 0.478 563 N N 0.136 118.848 118.700 0.021 0.000 2.376 563 N HA 0.085 4.819 4.740 -0.009 0.000 0.177 563 N C 1.624 177.152 175.510 0.030 0.000 1.024 563 N CA 0.516 53.580 53.050 0.025 0.000 0.893 563 N CB -0.096 38.405 38.487 0.023 0.000 0.980 563 N HN 0.268 nan 8.380 nan 0.000 0.439 564 M N 1.665 121.283 119.600 0.029 0.000 2.065 564 M HA -0.183 4.291 4.480 -0.009 0.000 0.259 564 M C 2.034 178.355 176.300 0.036 0.000 1.069 564 M CA 1.696 57.014 55.300 0.029 0.000 1.110 564 M CB -0.243 32.369 32.600 0.020 0.000 1.328 564 M HN 0.060 nan 8.290 nan 0.000 0.405 565 Q N -1.547 118.276 119.800 0.039 0.000 2.152 565 Q HA -0.181 4.153 4.340 -0.009 0.000 0.206 565 Q C 1.751 177.777 176.000 0.043 0.000 0.985 565 Q CA 1.945 57.779 55.803 0.051 0.000 0.863 565 Q CB -0.531 28.242 28.738 0.058 0.000 0.904 565 Q HN 0.517 nan 8.270 nan 0.000 0.422 566 T N 0.874 115.449 114.554 0.034 0.000 3.051 566 T HA -0.115 4.230 4.350 -0.009 0.000 0.269 566 T C 1.308 176.020 174.700 0.020 0.000 1.127 566 T CA 0.911 63.026 62.100 0.024 0.000 1.107 566 T CB -0.014 68.868 68.868 0.025 0.000 0.898 566 T HN 0.294 nan 8.240 nan 0.000 0.517 567 Q N -0.002 119.823 119.800 0.041 0.000 2.282 567 Q HA 0.384 4.718 4.340 -0.009 0.000 0.206 567 Q C 0.686 176.734 176.000 0.080 0.000 0.878 567 Q CA -0.431 55.413 55.803 0.068 0.000 0.944 567 Q CB 0.409 29.203 28.738 0.093 0.000 1.100 567 Q HN 0.418 nan 8.270 nan 0.000 0.509 568 A N 1.207 124.061 122.820 0.057 0.000 2.522 568 A HA 0.155 4.469 4.320 -0.009 0.000 0.256 568 A C -0.152 177.473 177.584 0.068 0.000 1.086 568 A CA 0.095 52.170 52.037 0.063 0.000 0.763 568 A CB 0.259 19.299 19.000 0.066 0.000 1.024 568 A HN 0.160 nan 8.150 nan 0.000 0.502 569 V N 6.048 126.018 119.914 0.094 0.000 2.383 569 V HA 0.427 4.541 4.120 -0.009 0.000 0.275 569 V C -2.320 173.823 176.094 0.082 0.000 1.036 569 V CA -2.317 60.048 62.300 0.108 0.000 0.889 569 V CB 1.264 33.187 31.823 0.166 0.000 0.985 569 V HN 0.774 nan 8.190 nan 0.000 0.459 570 P HA 0.138 nan 4.420 nan 0.000 0.260 570 P C -1.071 176.248 177.300 0.031 0.000 1.185 570 P CA 0.256 63.376 63.100 0.034 0.000 0.763 570 P CB 0.196 31.904 31.700 0.014 0.000 0.776 571 L N 4.487 125.713 121.223 0.006 0.000 2.307 571 L HA 0.326 4.660 4.340 -0.009 0.000 0.282 571 L C 2.036 178.870 176.870 -0.060 0.000 1.051 571 L CA -0.248 54.579 54.840 -0.022 0.000 0.804 571 L CB 0.521 42.538 42.059 -0.070 0.000 1.197 571 L HN 0.375 nan 8.230 nan 0.000 0.431 572 I N -1.315 119.228 120.570 -0.046 0.000 2.236 572 I HA -0.192 3.972 4.170 -0.009 0.000 0.249 572 I C 0.853 176.903 176.117 -0.112 0.000 1.102 572 I CA 1.398 62.664 61.300 -0.055 0.000 1.365 572 I CB -0.342 37.644 38.000 -0.023 0.000 1.051 572 I HN 0.494 nan 8.210 nan 0.000 0.420 573 R N 2.491 122.881 120.500 -0.184 0.000 2.391 573 R HA 0.577 4.912 4.340 -0.009 0.000 0.310 573 R C -0.124 176.009 176.300 -0.278 0.000 1.174 573 R CA -0.360 55.567 56.100 -0.288 0.000 1.118 573 R CB 0.438 30.435 30.300 -0.506 0.000 1.134 573 R HN 0.424 nan 8.270 nan 0.000 0.524 574 A N 2.233 124.947 122.820 -0.177 0.000 2.327 574 A HA 0.427 4.742 4.320 -0.009 0.000 0.255 574 A C -0.198 177.313 177.584 -0.121 0.000 1.099 574 A CA -0.004 51.965 52.037 -0.113 0.000 0.801 574 A CB 0.682 19.640 19.000 -0.069 0.000 1.062 574 A HN 0.631 nan 8.150 nan 0.000 0.496 575 Q N -1.223 118.564 119.800 -0.023 0.000 2.507 575 Q HA 0.458 4.792 4.340 -0.009 0.000 0.242 575 Q C -1.038 175.023 176.000 0.101 0.000 0.911 575 Q CA -0.325 55.484 55.803 0.010 0.000 1.019 575 Q CB 1.709 30.442 28.738 -0.009 0.000 1.523 575 Q HN 1.231 nan 8.270 nan 0.000 0.459 576 A N 3.909 126.743 122.820 0.025 0.000 2.340 576 A HA 0.724 5.038 4.320 -0.009 0.000 0.268 576 A C -2.418 175.045 177.584 -0.203 0.000 1.100 576 A CA -1.118 50.883 52.037 -0.059 0.000 0.803 576 A CB 0.038 19.091 19.000 0.088 0.000 1.043 576 A HN 0.353 nan 8.150 nan 0.000 0.488 577 P HA 0.067 nan 4.420 nan 0.000 0.268 577 P C 1.150 178.344 177.300 -0.178 0.000 1.208 577 P CA 0.081 62.771 63.100 -0.682 0.000 0.777 577 P CB 0.311 31.331 31.700 -1.134 0.000 0.875 578 V N 0.562 120.471 119.914 -0.008 0.000 2.913 578 V HA -0.025 4.089 4.120 -0.009 0.000 0.260 578 V C 0.800 176.925 176.094 0.052 0.000 1.098 578 V CA 1.006 63.333 62.300 0.045 0.000 1.121 578 V CB -0.698 31.209 31.823 0.141 0.000 0.714 578 V HN 0.385 nan 8.190 nan 0.000 0.487 579 V N 1.054 120.984 119.914 0.027 0.000 2.668 579 V HA 0.736 4.851 4.120 -0.009 0.000 0.304 579 V C -0.886 175.161 176.094 -0.079 0.000 1.071 579 V CA -0.702 61.628 62.300 0.050 0.000 0.894 579 V CB 2.008 33.889 31.823 0.096 0.000 1.008 579 V HN 0.413 nan 8.190 nan 0.000 0.425 580 M N 4.140 123.699 119.600 -0.068 0.000 2.690 580 M HA 0.474 4.948 4.480 -0.009 0.000 0.302 580 M C 1.146 177.387 176.300 -0.099 0.000 1.234 580 M CA -0.231 54.991 55.300 -0.131 0.000 0.853 580 M CB 2.471 34.968 32.600 -0.172 0.000 1.748 580 M HN 0.765 nan 8.290 nan 0.000 0.469 581 T N -2.877 111.610 114.554 -0.112 0.000 2.814 581 T HA 0.306 4.650 4.350 -0.009 0.000 0.254 581 T C 1.201 175.860 174.700 -0.068 0.000 1.037 581 T CA 1.107 63.161 62.100 -0.076 0.000 1.143 581 T CB -0.036 68.790 68.868 -0.070 0.000 0.866 581 T HN 1.022 nan 8.240 nan 0.000 0.431 582 G N 0.096 108.828 108.800 -0.113 0.000 3.272 582 G HA2 -0.003 3.952 3.960 -0.009 0.000 0.219 582 G HA3 -0.003 3.952 3.960 -0.009 0.000 0.219 582 G C 0.694 175.507 174.900 -0.145 0.000 0.952 582 G CA 0.081 45.104 45.100 -0.128 0.000 0.833 582 G HN 0.425 nan 8.290 nan 0.000 0.608 583 L N 1.704 122.850 121.223 -0.129 0.000 2.640 583 L HA 0.159 4.493 4.340 -0.009 0.000 0.230 583 L C 2.506 179.294 176.870 -0.137 0.000 1.123 583 L CA 0.648 55.418 54.840 -0.117 0.000 0.900 583 L CB -0.022 41.990 42.059 -0.077 0.000 1.146 583 L HN 0.317 nan 8.230 nan 0.000 0.484 584 E N 0.961 121.047 120.200 -0.191 0.000 2.070 584 E HA -0.278 4.067 4.350 -0.009 0.000 0.197 584 E C 1.359 177.869 176.600 -0.150 0.000 1.004 584 E CA 1.423 57.716 56.400 -0.178 0.000 0.805 584 E CB -0.307 29.241 29.700 -0.254 0.000 0.744 584 E HN 0.560 nan 8.360 nan 0.000 0.451 585 E N 0.710 120.756 120.200 -0.257 0.000 2.023 585 E HA -0.137 4.208 4.350 -0.009 0.000 0.196 585 E C 2.356 178.935 176.600 -0.034 0.000 1.003 585 E CA 0.755 57.087 56.400 -0.113 0.000 0.809 585 E CB -0.174 29.422 29.700 -0.172 0.000 0.755 585 E HN 0.111 nan 8.360 nan 0.000 0.449 586 R N 0.729 121.178 120.500 -0.084 0.000 2.127 586 R HA -0.135 4.199 4.340 -0.009 0.000 0.238 586 R C 2.332 178.598 176.300 -0.057 0.000 1.134 586 R CA 0.825 56.878 56.100 -0.080 0.000 0.975 586 R CB -0.442 29.797 30.300 -0.102 0.000 0.865 586 R HN 0.121 nan 8.270 nan 0.000 0.447 587 V N 0.664 120.550 119.914 -0.046 0.000 2.307 587 V HA -0.219 3.895 4.120 -0.009 0.000 0.245 587 V C 2.549 178.647 176.094 0.007 0.000 1.045 587 V CA 1.857 64.141 62.300 -0.026 0.000 1.024 587 V CB -0.655 31.154 31.823 -0.024 0.000 0.651 587 V HN 0.263 nan 8.190 nan 0.000 0.449 588 V N 0.065 120.004 119.914 0.041 0.000 2.343 588 V HA -0.235 3.880 4.120 -0.009 0.000 0.247 588 V C 2.512 178.687 176.094 0.134 0.000 1.051 588 V CA 2.418 64.769 62.300 0.085 0.000 1.036 588 V CB -0.839 31.055 31.823 0.119 0.000 0.654 588 V HN 0.471 nan 8.190 nan 0.000 0.451 589 R N 1.130 121.708 120.500 0.131 0.000 2.062 589 R HA -0.117 4.217 4.340 -0.009 0.000 0.231 589 R C 2.034 178.311 176.300 -0.038 0.000 1.136 589 R CA 2.429 58.552 56.100 0.038 0.000 0.948 589 R CB -0.975 29.191 30.300 -0.223 0.000 0.845 589 R HN 0.642 nan 8.270 nan 0.000 0.430 590 D N 0.251 120.619 120.400 -0.054 0.000 2.123 590 D HA -0.075 4.559 4.640 -0.009 0.000 0.200 590 D C 0.761 177.043 176.300 -0.030 0.000 0.976 590 D CA 1.237 55.202 54.000 -0.059 0.000 0.831 590 D CB -0.320 40.436 40.800 -0.072 0.000 0.974 590 D HN 0.384 nan 8.370 nan 0.000 0.469 591 S N 0.099 115.792 115.700 -0.012 0.000 2.606 591 S HA 0.181 4.646 4.470 -0.009 0.000 0.257 591 S C 0.467 175.076 174.600 0.014 0.000 1.327 591 S CA -0.503 57.694 58.200 -0.004 0.000 0.984 591 S CB 0.888 64.089 63.200 0.001 0.000 0.941 591 S HN 0.137 nan 8.310 nan 0.000 0.576 592 L N 1.417 122.645 121.223 0.009 0.000 2.959 592 L HA 0.365 4.700 4.340 -0.009 0.000 0.236 592 L C 1.330 178.208 176.870 0.013 0.000 1.296 592 L CA -0.401 54.453 54.840 0.022 0.000 1.047 592 L CB -0.287 41.774 42.059 0.003 0.000 1.395 592 L HN 0.964 nan 8.230 nan 0.000 0.492 593 A N 0.768 123.604 122.820 0.026 0.000 1.831 593 A HA 0.306 4.620 4.320 -0.009 0.000 0.213 593 A C 1.333 178.898 177.584 -0.032 0.000 1.223 593 A CA 1.035 53.070 52.037 -0.003 0.000 0.604 593 A CB -0.103 18.901 19.000 0.006 0.000 0.878 593 A HN 0.469 nan 8.150 nan 0.000 0.450 594 A N -1.062 121.735 122.820 -0.038 0.000 2.304 594 A HA 0.576 4.891 4.320 -0.009 0.000 0.271 594 A C -0.452 176.995 177.584 -0.228 0.000 1.091 594 A CA -0.358 51.562 52.037 -0.194 0.000 0.812 594 A CB 0.189 18.962 19.000 -0.378 0.000 1.056 594 A HN 0.525 nan 8.150 nan 0.000 0.489 595 L N 1.586 122.635 121.223 -0.290 0.000 2.257 595 L HA 0.459 4.793 4.340 -0.009 0.000 0.290 595 L C -1.151 175.532 176.870 -0.311 0.000 1.044 595 L CA 0.229 54.934 54.840 -0.225 0.000 0.810 595 L CB 0.239 42.189 42.059 -0.181 0.000 1.193 595 L HN 0.648 nan 8.230 nan 0.000 0.425 596 Y N 2.697 122.939 120.300 -0.097 0.000 2.457 596 Y HA 0.650 5.195 4.550 -0.010 0.000 0.333 596 Y C 0.540 176.413 175.900 -0.045 0.000 1.119 596 Y CA -0.830 57.237 58.100 -0.054 0.000 1.143 596 Y CB 1.493 39.925 38.460 -0.046 0.000 1.230 596 Y HN 0.601 nan 8.280 nan 0.000 0.469 597 A N 2.401 125.335 122.820 0.191 0.000 2.404 597 A HA 0.189 4.504 4.320 -0.009 0.000 0.273 597 A C 0.881 178.519 177.584 0.090 0.000 1.144 597 A CA -0.420 51.729 52.037 0.187 0.000 0.806 597 A CB 0.038 19.149 19.000 0.185 0.000 1.080 597 A HN 0.996 nan 8.150 nan 0.000 0.509 598 E N 1.426 121.652 120.200 0.044 0.000 1.997 598 E HA -0.169 4.175 4.350 -0.009 0.000 0.201 598 E C 0.632 177.094 176.600 -0.229 0.000 1.011 598 E CA 1.708 58.037 56.400 -0.118 0.000 0.847 598 E CB 0.083 29.674 29.700 -0.181 0.000 0.787 598 E HN 0.877 nan 8.360 nan 0.000 0.472 599 E N 0.843 120.733 120.200 -0.517 0.000 2.299 599 E HA 0.082 4.427 4.350 -0.009 0.000 0.265 599 E C -1.248 175.204 176.600 -0.247 0.000 0.911 599 E CA -0.831 55.353 56.400 -0.360 0.000 0.789 599 E CB 1.192 30.675 29.700 -0.361 0.000 1.246 599 E HN -0.085 nan 8.360 nan 0.000 0.427 600 D N 1.353 121.713 120.400 -0.068 0.000 2.449 600 D HA 0.348 4.983 4.640 -0.009 0.000 0.236 600 D C 0.353 176.730 176.300 0.129 0.000 1.149 600 D CA 0.826 54.850 54.000 0.040 0.000 0.878 600 D CB 1.170 41.986 40.800 0.026 0.000 1.198 600 D HN 0.655 nan 8.370 nan 0.000 0.446 601 G N 0.162 109.058 108.800 0.161 0.000 2.393 601 G HA2 0.309 4.263 3.960 -0.009 0.000 0.264 601 G HA3 0.309 4.263 3.960 -0.009 0.000 0.264 601 G C -1.564 173.397 174.900 0.102 0.000 1.221 601 G CA -0.620 44.578 45.100 0.164 0.000 0.912 601 G HN 0.492 nan 8.290 nan 0.000 0.483 602 E N -1.067 119.171 120.200 0.064 0.000 2.359 602 E HA 0.636 4.980 4.350 -0.009 0.000 0.266 602 E C -1.031 175.570 176.600 0.001 0.000 0.920 602 E CA -0.718 55.698 56.400 0.028 0.000 0.788 602 E CB 2.600 32.306 29.700 0.010 0.000 1.279 602 E HN 0.313 nan 8.360 nan 0.000 0.438 603 V N 2.389 122.301 119.914 -0.004 0.000 2.509 603 V HA 0.367 4.481 4.120 -0.009 0.000 0.284 603 V C 0.717 176.788 176.094 -0.039 0.000 1.047 603 V CA 0.333 62.620 62.300 -0.022 0.000 0.952 603 V CB 1.020 32.839 31.823 -0.006 0.000 0.988 603 V HN 0.910 nan 8.190 nan 0.000 0.469 604 A N 4.760 127.542 122.820 -0.062 0.000 1.919 604 A HA 0.329 4.643 4.320 -0.009 0.000 0.211 604 A C 0.825 178.380 177.584 -0.047 0.000 1.310 604 A CA 0.569 52.570 52.037 -0.061 0.000 0.651 604 A CB 0.195 19.143 19.000 -0.086 0.000 0.996 604 A HN 0.706 nan 8.150 nan 0.000 0.479 605 K N -0.274 120.095 120.400 -0.051 0.000 2.375 605 K HA 0.562 4.876 4.320 -0.009 0.000 0.249 605 K C -1.652 174.931 176.600 -0.027 0.000 0.942 605 K CA -0.663 55.602 56.287 -0.037 0.000 0.806 605 K CB 2.742 35.218 32.500 -0.039 0.000 1.227 605 K HN 0.210 nan 8.250 nan 0.000 0.430 606 V N -0.738 119.165 119.914 -0.019 0.000 2.398 606 V HA 0.383 4.498 4.120 -0.009 0.000 0.282 606 V C -0.968 175.121 176.094 -0.008 0.000 1.014 606 V CA -0.923 61.371 62.300 -0.011 0.000 0.838 606 V CB 0.977 32.794 31.823 -0.010 0.000 1.018 606 V HN 0.608 nan 8.190 nan 0.000 0.432 607 D N 3.697 124.096 120.400 -0.003 0.000 2.387 607 D HA 0.641 5.275 4.640 -0.009 0.000 0.255 607 D C 1.368 177.674 176.300 0.009 0.000 1.081 607 D CA 0.524 54.525 54.000 0.002 0.000 0.994 607 D CB 1.910 42.712 40.800 0.004 0.000 1.127 607 D HN 0.587 nan 8.370 nan 0.000 0.513 608 G N -0.429 108.380 108.800 0.015 0.000 2.744 608 G HA2 -0.135 3.819 3.960 -0.009 0.000 0.211 608 G HA3 -0.135 3.819 3.960 -0.009 0.000 0.211 608 G C 0.825 175.748 174.900 0.038 0.000 1.143 608 G CA 0.248 45.365 45.100 0.028 0.000 0.788 608 G HN 0.443 nan 8.290 nan 0.000 0.534 609 N N -1.060 117.659 118.700 0.031 0.000 2.210 609 N HA 0.190 4.924 4.740 -0.009 0.000 0.203 609 N C 0.164 175.697 175.510 0.037 0.000 1.175 609 N CA -0.319 52.753 53.050 0.037 0.000 0.894 609 N CB 0.706 39.212 38.487 0.032 0.000 1.041 609 N HN 0.341 nan 8.380 nan 0.000 0.506 610 R N 0.015 120.532 120.500 0.028 0.000 2.634 610 R HA 0.414 4.748 4.340 -0.009 0.000 0.263 610 R C -2.007 174.307 176.300 0.024 0.000 1.060 610 R CA -0.675 55.446 56.100 0.035 0.000 0.898 610 R CB 0.635 30.948 30.300 0.022 0.000 1.253 610 R HN -0.131 nan 8.270 nan 0.000 0.461 611 I N 2.459 123.056 120.570 0.045 0.000 2.537 611 I HA 0.238 4.403 4.170 -0.009 0.000 0.276 611 I C -0.584 175.516 176.117 -0.028 0.000 1.063 611 I CA -1.056 60.261 61.300 0.028 0.000 1.144 611 I CB 2.108 40.153 38.000 0.076 0.000 1.252 611 I HN 0.345 nan 8.210 nan 0.000 0.480 612 V N 6.751 126.610 119.914 -0.092 0.000 2.338 612 V HA 0.125 4.240 4.120 -0.009 0.000 0.255 612 V C 0.645 176.610 176.094 -0.214 0.000 1.082 612 V CA -0.570 61.611 62.300 -0.198 0.000 0.951 612 V CB 0.492 32.217 31.823 -0.164 0.000 1.102 612 V HN 0.505 nan 8.190 nan 0.000 0.489 613 V N 3.088 122.824 119.914 -0.296 0.000 2.953 613 V HA 0.627 4.742 4.120 -0.009 0.000 0.304 613 V C 0.129 175.970 176.094 -0.422 0.000 1.073 613 V CA -1.002 61.142 62.300 -0.260 0.000 1.064 613 V CB 1.126 32.867 31.823 -0.137 0.000 1.047 613 V HN 0.777 nan 8.190 nan 0.000 0.478 614 R N 1.863 122.197 120.500 -0.277 0.000 2.275 614 R HA 0.442 4.776 4.340 -0.009 0.000 0.326 614 R C -1.005 175.227 176.300 -0.114 0.000 0.973 614 R CA -0.388 55.568 56.100 -0.240 0.000 0.854 614 R CB 0.183 30.416 30.300 -0.111 0.000 1.156 614 R HN 0.810 nan 8.270 nan 0.000 0.487 615 Y N 1.690 121.980 120.300 -0.017 0.000 2.314 615 Y HA 0.081 4.626 4.550 -0.009 0.000 0.334 615 Y C 1.304 177.203 175.900 -0.001 0.000 1.266 615 Y CA -0.831 57.270 58.100 0.002 0.000 1.391 615 Y CB 1.015 39.480 38.460 0.009 0.000 1.306 615 Y HN 0.497 nan 8.280 nan 0.000 0.558 616 E N 1.139 121.449 120.200 0.184 0.000 2.511 616 E HA -0.105 4.240 4.350 -0.009 0.000 0.196 616 E C 0.721 177.368 176.600 0.080 0.000 1.066 616 E CA 0.667 57.123 56.400 0.095 0.000 0.871 616 E CB -0.352 29.387 29.700 0.066 0.000 0.863 616 E HN 0.758 nan 8.360 nan 0.000 0.520 617 D N -0.477 119.989 120.400 0.110 0.000 2.378 617 D HA 0.050 4.684 4.640 -0.009 0.000 0.227 617 D C 1.169 177.505 176.300 0.061 0.000 1.012 617 D CA 0.749 54.796 54.000 0.079 0.000 0.905 617 D CB 0.022 40.876 40.800 0.091 0.000 0.895 617 D HN 0.134 nan 8.370 nan 0.000 0.532 618 G N -0.068 108.765 108.800 0.054 0.000 2.130 618 G HA2 -0.266 3.688 3.960 -0.009 0.000 0.216 618 G HA3 -0.266 3.688 3.960 -0.009 0.000 0.216 618 G C -0.018 174.890 174.900 0.013 0.000 0.999 618 G CA -0.452 44.663 45.100 0.024 0.000 0.686 618 G HN 0.374 nan 8.290 nan 0.000 0.515 619 R N -0.568 119.945 120.500 0.022 0.000 2.837 619 R HA 0.864 5.198 4.340 -0.009 0.000 0.271 619 R C -0.145 176.071 176.300 -0.140 0.000 0.993 619 R CA -0.933 55.157 56.100 -0.016 0.000 0.931 619 R CB 1.897 32.233 30.300 0.061 0.000 1.206 619 R HN 0.486 nan 8.270 nan 0.000 0.474 620 L N -1.482 119.615 121.223 -0.210 0.000 2.493 620 L HA 0.758 5.092 4.340 -0.009 0.000 0.265 620 L C -1.284 175.363 176.870 -0.372 0.000 0.954 620 L CA -1.048 53.574 54.840 -0.365 0.000 0.844 620 L CB 1.993 43.902 42.059 -0.250 0.000 1.302 620 L HN 0.308 nan 8.230 nan 0.000 0.405 621 V N 1.302 120.869 119.914 -0.578 0.000 2.604 621 V HA 0.410 4.524 4.120 -0.009 0.000 0.305 621 V C -0.076 175.614 176.094 -0.674 0.000 1.043 621 V CA -0.489 61.484 62.300 -0.546 0.000 0.888 621 V CB 2.076 33.557 31.823 -0.571 0.000 0.995 621 V HN 0.921 nan 8.190 nan 0.000 0.429 622 E N 3.364 123.318 120.200 -0.410 0.000 2.259 622 E HA 0.238 4.583 4.350 -0.009 0.000 0.281 622 E C -1.579 174.910 176.600 -0.186 0.000 1.037 622 E CA -0.331 55.907 56.400 -0.269 0.000 0.854 622 E CB 0.671 30.303 29.700 -0.114 0.000 1.051 622 E HN 0.740 nan 8.360 nan 0.000 0.409 623 Y N 5.640 125.930 120.300 -0.017 0.000 2.721 623 Y HA 0.266 4.810 4.550 -0.009 0.000 0.328 623 Y C -1.967 173.934 175.900 0.001 0.000 1.003 623 Y CA -2.777 55.323 58.100 0.000 0.000 1.275 623 Y CB 1.304 39.769 38.460 0.009 0.000 1.097 623 Y HN 0.484 nan 8.280 nan 0.000 0.514 624 P HA 0.030 nan 4.420 nan 0.000 0.269 624 P C -0.823 176.532 177.300 0.093 0.000 1.217 624 P CA 0.158 63.324 63.100 0.111 0.000 0.783 624 P CB 0.879 32.636 31.700 0.096 0.000 0.898 625 L N 1.636 122.905 121.223 0.077 0.000 2.372 625 L HA 0.424 4.758 4.340 -0.009 0.000 0.274 625 L C 0.521 177.445 176.870 0.091 0.000 0.988 625 L CA -0.780 54.091 54.840 0.051 0.000 0.833 625 L CB 1.623 43.695 42.059 0.022 0.000 1.236 625 L HN 0.242 nan 8.230 nan 0.000 0.410 626 R N 3.096 123.668 120.500 0.119 0.000 2.723 626 R HA -0.079 4.256 4.340 -0.009 0.000 0.358 626 R C 1.305 177.713 176.300 0.180 0.000 0.966 626 R CA 0.082 56.371 56.100 0.314 0.000 1.022 626 R CB 0.110 30.541 30.300 0.218 0.000 0.945 626 R HN 0.638 nan 8.270 nan 0.000 0.420 627 R N 2.610 123.172 120.500 0.104 0.000 2.187 627 R HA -0.118 4.216 4.340 -0.009 0.000 0.215 627 R C -0.117 176.113 176.300 -0.116 0.000 1.106 627 R CA 1.188 57.311 56.100 0.039 0.000 0.869 627 R CB -0.141 30.284 30.300 0.208 0.000 0.789 627 R HN 0.261 nan 8.270 nan 0.000 0.447 628 F N 0.389 120.232 119.950 -0.177 0.000 2.564 628 F HA 0.413 4.934 4.527 -0.010 0.000 0.361 628 F C -1.015 174.677 175.800 -0.180 0.000 1.161 628 F CA -1.125 56.804 58.000 -0.119 0.000 1.198 628 F CB 0.694 39.632 39.000 -0.103 0.000 1.424 628 F HN 0.072 nan 8.300 nan 0.000 0.517 629 Y N 0.324 120.656 120.300 0.053 0.000 2.354 629 Y HA 0.531 5.075 4.550 -0.010 0.000 0.322 629 Y C 0.747 176.657 175.900 0.016 0.000 1.253 629 Y CA -0.867 57.243 58.100 0.016 0.000 1.272 629 Y CB 0.981 39.429 38.460 -0.021 0.000 1.255 629 Y HN 0.222 nan 8.280 nan 0.000 0.500 630 R N 1.802 122.437 120.500 0.225 0.000 2.205 630 R HA 0.252 4.586 4.340 -0.009 0.000 0.342 630 R C -0.662 175.679 176.300 0.067 0.000 1.058 630 R CA -0.454 55.724 56.100 0.130 0.000 0.904 630 R CB -0.077 30.334 30.300 0.186 0.000 1.089 630 R HN 0.683 nan 8.270 nan 0.000 0.471 631 S N 3.277 118.987 115.700 0.017 0.000 2.579 631 S HA 0.049 4.514 4.470 -0.009 0.000 0.275 631 S C 0.711 175.283 174.600 -0.047 0.000 1.345 631 S CA -0.569 57.615 58.200 -0.027 0.000 1.031 631 S CB 0.821 63.995 63.200 -0.044 0.000 0.892 631 S HN 0.674 nan 8.310 nan 0.000 0.529 632 N N 1.814 120.466 118.700 -0.080 0.000 2.258 632 N HA -0.128 4.607 4.740 -0.009 0.000 0.187 632 N C 1.407 176.878 175.510 -0.064 0.000 1.012 632 N CA 1.348 54.329 53.050 -0.116 0.000 0.870 632 N CB -0.280 38.104 38.487 -0.173 0.000 0.977 632 N HN 0.786 nan 8.380 nan 0.000 0.434 633 Q N -1.275 118.486 119.800 -0.065 0.000 2.247 633 Q HA 0.298 4.632 4.340 -0.009 0.000 0.204 633 Q C 0.997 177.033 176.000 0.060 0.000 0.872 633 Q CA 0.503 56.274 55.803 -0.053 0.000 0.951 633 Q CB 0.819 29.386 28.738 -0.287 0.000 1.099 633 Q HN 0.294 nan 8.270 nan 0.000 0.501 634 G N 1.782 110.585 108.800 0.004 0.000 2.317 634 G HA2 -0.341 3.613 3.960 -0.009 0.000 0.227 634 G HA3 -0.341 3.613 3.960 -0.009 0.000 0.227 634 G C 0.624 175.425 174.900 -0.164 0.000 1.042 634 G CA 0.335 45.353 45.100 -0.136 0.000 0.623 634 G HN 0.549 nan 8.290 nan 0.000 0.509 635 T N 0.132 114.703 114.554 0.030 0.000 2.906 635 T HA 0.550 4.894 4.350 -0.009 0.000 0.320 635 T C 0.626 175.331 174.700 0.008 0.000 1.088 635 T CA 0.758 62.895 62.100 0.062 0.000 1.120 635 T CB 1.560 70.448 68.868 0.034 0.000 1.000 635 T HN 1.873 nan 8.240 nan 0.000 0.550 636 A N 2.646 125.484 122.820 0.029 0.000 2.327 636 A HA 0.636 4.950 4.320 -0.009 0.000 0.283 636 A C 0.152 177.718 177.584 -0.029 0.000 1.127 636 A CA -1.096 50.950 52.037 0.014 0.000 0.810 636 A CB 0.004 19.027 19.000 0.039 0.000 1.066 636 A HN 0.926 nan 8.150 nan 0.000 0.492 637 L N 2.908 124.109 121.223 -0.036 0.000 2.353 637 L HA 0.489 4.823 4.340 -0.009 0.000 0.270 637 L C -1.073 175.726 176.870 -0.118 0.000 1.003 637 L CA -0.683 54.123 54.840 -0.056 0.000 0.862 637 L CB 1.065 43.119 42.059 -0.009 0.000 1.221 637 L HN 0.721 nan 8.230 nan 0.000 0.430 638 D N 1.873 122.142 120.400 -0.219 0.000 2.780 638 D HA 0.261 4.895 4.640 -0.009 0.000 0.242 638 D C -0.989 175.177 176.300 -0.222 0.000 1.135 638 D CA -0.662 53.135 54.000 -0.339 0.000 0.859 638 D CB 2.187 42.540 40.800 -0.744 0.000 1.530 638 D HN 0.482 nan 8.370 nan 0.000 0.493 639 Q N 1.732 121.433 119.800 -0.164 0.000 2.430 639 Q HA 0.304 4.639 4.340 -0.009 0.000 0.245 639 Q C -0.434 175.500 176.000 -0.110 0.000 1.021 639 Q CA -0.591 55.140 55.803 -0.120 0.000 0.867 639 Q CB 1.569 30.257 28.738 -0.083 0.000 1.210 639 Q HN 0.259 nan 8.270 nan 0.000 0.487 640 R N 2.355 122.785 120.500 -0.115 0.000 2.216 640 R HA 0.336 4.670 4.340 -0.009 0.000 0.332 640 R C -2.606 173.650 176.300 -0.074 0.000 1.056 640 R CA -2.080 53.967 56.100 -0.088 0.000 0.901 640 R CB -0.261 29.984 30.300 -0.091 0.000 1.039 640 R HN 0.209 nan 8.270 nan 0.000 0.456 641 P HA 0.003 nan 4.420 nan 0.000 0.263 641 P C -0.021 177.248 177.300 -0.052 0.000 1.195 641 P CA -0.091 62.982 63.100 -0.044 0.000 0.762 641 P CB 0.645 32.332 31.700 -0.022 0.000 0.799 642 R N 1.800 122.263 120.500 -0.062 0.000 2.397 642 R HA 0.204 4.538 4.340 -0.009 0.000 0.241 642 R C -0.079 176.190 176.300 -0.051 0.000 0.914 642 R CA -0.043 56.018 56.100 -0.066 0.000 1.071 642 R CB 0.020 30.266 30.300 -0.090 0.000 1.116 642 R HN 0.276 nan 8.270 nan 0.000 0.524 643 V N 2.256 122.149 119.914 -0.036 0.000 2.483 643 V HA 0.270 4.384 4.120 -0.009 0.000 0.295 643 V C 0.628 176.712 176.094 -0.018 0.000 1.035 643 V CA -0.962 61.325 62.300 -0.022 0.000 0.896 643 V CB 2.077 33.897 31.823 -0.006 0.000 0.986 643 V HN -0.102 nan 8.190 nan 0.000 0.447 644 V N 3.256 123.160 119.914 -0.017 0.000 3.214 644 V HA 0.496 4.610 4.120 -0.009 0.000 0.306 644 V C 0.347 176.434 176.094 -0.012 0.000 1.078 644 V CA -0.868 61.422 62.300 -0.016 0.000 1.077 644 V CB 0.934 32.747 31.823 -0.017 0.000 1.121 644 V HN 0.521 nan 8.190 nan 0.000 0.468 645 V N 1.373 121.278 119.914 -0.013 0.000 2.599 645 V HA 0.446 4.561 4.120 -0.009 0.000 0.300 645 V C 1.296 177.382 176.094 -0.013 0.000 1.034 645 V CA 0.618 62.910 62.300 -0.014 0.000 1.115 645 V CB -0.505 31.308 31.823 -0.016 0.000 0.934 645 V HN 1.825 nan 8.190 nan 0.000 0.485 646 G N 3.561 112.353 108.800 -0.013 0.000 2.438 646 G HA2 -0.228 3.726 3.960 -0.009 0.000 0.272 646 G HA3 -0.228 3.726 3.960 -0.009 0.000 0.272 646 G C -0.356 174.541 174.900 -0.004 0.000 0.991 646 G CA 0.524 45.617 45.100 -0.010 0.000 1.348 646 G HN 1.065 nan 8.290 nan 0.000 0.483 647 Q N 0.630 120.431 119.800 0.002 0.000 2.285 647 Q HA 0.435 4.770 4.340 -0.009 0.000 0.269 647 Q C 0.659 176.671 176.000 0.021 0.000 1.030 647 Q CA -1.201 54.607 55.803 0.008 0.000 0.788 647 Q CB 1.167 29.909 28.738 0.006 0.000 1.266 647 Q HN 0.671 nan 8.270 nan 0.000 0.438 648 R N 2.466 122.979 120.500 0.022 0.000 2.345 648 R HA 0.215 4.549 4.340 -0.009 0.000 0.331 648 R C -0.116 176.210 176.300 0.043 0.000 1.067 648 R CA -0.180 55.941 56.100 0.034 0.000 0.962 648 R CB -0.357 29.959 30.300 0.026 0.000 0.987 648 R HN 0.321 nan 8.270 nan 0.000 0.451 649 V N 1.404 121.357 119.914 0.065 0.000 2.481 649 V HA 0.422 4.536 4.120 -0.009 0.000 0.286 649 V C 0.332 176.466 176.094 0.068 0.000 1.042 649 V CA -1.321 61.022 62.300 0.072 0.000 0.928 649 V CB 1.375 33.260 31.823 0.102 0.000 0.986 649 V HN 0.755 nan 8.190 nan 0.000 0.462 650 R N 2.933 123.466 120.500 0.055 0.000 2.296 650 R HA 0.269 4.604 4.340 -0.009 0.000 0.323 650 R C -0.042 176.289 176.300 0.052 0.000 1.067 650 R CA -0.557 55.570 56.100 0.045 0.000 0.946 650 R CB -0.073 30.252 30.300 0.041 0.000 0.991 650 R HN 0.978 nan 8.270 nan 0.000 0.448 651 K N 1.927 122.344 120.400 0.029 0.000 2.477 651 K HA -0.040 4.274 4.320 -0.009 0.000 0.275 651 K C 0.584 177.205 176.600 0.035 0.000 1.054 651 K CA 1.559 57.854 56.287 0.014 0.000 1.135 651 K CB -0.184 32.302 32.500 -0.023 0.000 0.854 651 K HN 0.906 nan 8.250 nan 0.000 0.484 652 G N 3.056 111.899 108.800 0.071 0.000 2.142 652 G HA2 -0.215 3.739 3.960 -0.009 0.000 0.225 652 G HA3 -0.215 3.739 3.960 -0.009 0.000 0.225 652 G C -0.538 174.516 174.900 0.257 0.000 1.015 652 G CA 0.125 45.291 45.100 0.110 0.000 0.716 652 G HN 0.788 nan 8.290 nan 0.000 0.508 653 D N 0.208 120.741 120.400 0.221 0.000 2.362 653 D HA 0.451 5.085 4.640 -0.009 0.000 0.247 653 D C 1.264 177.611 176.300 0.078 0.000 1.050 653 D CA -0.744 53.370 54.000 0.189 0.000 0.839 653 D CB 1.461 42.317 40.800 0.094 0.000 1.283 653 D HN 0.616 nan 8.370 nan 0.000 0.477 654 L N 2.737 123.913 121.223 -0.078 0.000 2.706 654 L HA -0.006 4.328 4.340 -0.009 0.000 0.282 654 L C 0.012 176.789 176.870 -0.155 0.000 1.219 654 L CA 0.028 54.676 54.840 -0.320 0.000 0.935 654 L CB 0.314 42.188 42.059 -0.307 0.000 1.204 654 L HN 0.482 nan 8.230 nan 0.000 0.491 655 L N 4.786 125.918 121.223 -0.152 0.000 2.425 655 L HA 0.468 4.802 4.340 -0.009 0.000 0.215 655 L C 1.095 177.916 176.870 -0.082 0.000 1.065 655 L CA 0.583 55.388 54.840 -0.058 0.000 0.842 655 L CB -0.130 41.941 42.059 0.022 0.000 1.033 655 L HN 0.893 nan 8.230 nan 0.000 0.474 656 A N -1.195 121.541 122.820 -0.139 0.000 2.515 656 A HA 0.563 4.877 4.320 -0.009 0.000 0.296 656 A C -1.612 175.866 177.584 -0.177 0.000 1.094 656 A CA -0.569 51.391 52.037 -0.128 0.000 0.718 656 A CB 1.625 20.569 19.000 -0.095 0.000 1.307 656 A HN -0.088 nan 8.150 nan 0.000 0.408 657 D N 0.245 120.559 120.400 -0.143 0.000 2.181 657 D HA 0.536 5.170 4.640 -0.009 0.000 0.248 657 D C 0.777 177.005 176.300 -0.121 0.000 1.020 657 D CA 0.500 54.416 54.000 -0.140 0.000 0.891 657 D CB 1.880 42.611 40.800 -0.117 0.000 1.187 657 D HN 0.743 nan 8.370 nan 0.000 0.443 658 G N 1.718 110.457 108.800 -0.102 0.000 2.583 658 G HA2 0.120 4.074 3.960 -0.009 0.000 0.275 658 G HA3 0.120 4.074 3.960 -0.009 0.000 0.275 658 G C -1.570 173.284 174.900 -0.077 0.000 1.342 658 G CA -0.621 44.432 45.100 -0.078 0.000 1.030 658 G HN 0.292 nan 8.290 nan 0.000 0.520 659 P HA -0.117 nan 4.420 nan 0.000 0.216 659 P C 1.348 178.615 177.300 -0.054 0.000 1.157 659 P CA 2.746 65.804 63.100 -0.070 0.000 0.880 659 P CB 0.205 31.875 31.700 -0.050 0.000 0.791 660 A N -2.078 120.724 122.820 -0.030 0.000 2.508 660 A HA 0.269 4.583 4.320 -0.009 0.000 0.257 660 A C 0.598 178.180 177.584 -0.004 0.000 1.226 660 A CA -0.051 51.979 52.037 -0.012 0.000 0.947 660 A CB -0.325 18.685 19.000 0.017 0.000 1.079 660 A HN 0.206 nan 8.150 nan 0.000 0.531 661 S N -0.595 115.096 115.700 -0.015 0.000 2.586 661 S HA 0.405 4.870 4.470 -0.009 0.000 0.274 661 S C 0.508 175.086 174.600 -0.037 0.000 1.281 661 S CA -0.367 57.833 58.200 0.000 0.000 1.035 661 S CB 1.813 65.018 63.200 0.008 0.000 0.962 661 S HN 0.378 nan 8.310 nan 0.000 0.512 662 E N 1.234 121.414 120.200 -0.033 0.000 2.014 662 E HA -0.022 4.322 4.350 -0.009 0.000 0.190 662 E C 0.376 176.891 176.600 -0.142 0.000 0.980 662 E CA 0.534 56.879 56.400 -0.092 0.000 0.807 662 E CB 0.107 29.745 29.700 -0.104 0.000 0.770 662 E HN 0.767 nan 8.360 nan 0.000 0.451 663 N N -1.411 117.173 118.700 -0.194 0.000 2.732 663 N HA 0.059 4.793 4.740 -0.009 0.000 0.235 663 N C -0.149 175.243 175.510 -0.197 0.000 1.466 663 N CA 0.662 53.566 53.050 -0.244 0.000 0.751 663 N CB 1.043 39.318 38.487 -0.354 0.000 1.317 663 N HN 0.356 nan 8.380 nan 0.000 0.525 664 G N 1.302 110.080 108.800 -0.037 0.000 2.220 664 G HA2 -0.307 3.647 3.960 -0.009 0.000 0.269 664 G HA3 -0.307 3.647 3.960 -0.009 0.000 0.269 664 G C -0.055 175.085 174.900 0.400 0.000 0.977 664 G CA 0.301 45.488 45.100 0.145 0.000 0.634 664 G HN 0.516 nan 8.290 nan 0.000 0.539 665 F N 0.250 120.187 119.950 -0.022 0.000 2.408 665 F HA 0.557 5.078 4.527 -0.010 0.000 0.344 665 F C 0.831 176.609 175.800 -0.037 0.000 1.112 665 F CA -1.489 56.492 58.000 -0.031 0.000 1.096 665 F CB 1.245 40.211 39.000 -0.056 0.000 1.129 665 F HN 0.086 nan 8.300 nan 0.000 0.486 666 L N 3.868 125.165 121.223 0.124 0.000 2.543 666 L HA 0.302 4.636 4.340 -0.009 0.000 0.285 666 L C -0.288 176.623 176.870 0.068 0.000 1.236 666 L CA 0.255 55.136 54.840 0.067 0.000 0.871 666 L CB 0.211 42.282 42.059 0.020 0.000 1.121 666 L HN 0.655 nan 8.230 nan 0.000 0.501 667 A N 6.093 128.965 122.820 0.086 0.000 2.476 667 A HA 0.582 4.897 4.320 -0.009 0.000 0.280 667 A C -0.297 177.395 177.584 0.181 0.000 1.081 667 A CA -0.505 51.613 52.037 0.135 0.000 0.753 667 A CB 0.653 19.704 19.000 0.085 0.000 1.248 667 A HN 0.787 nan 8.150 nan 0.000 0.424 668 L N 2.009 123.436 121.223 0.340 0.000 3.016 668 L HA 0.477 4.811 4.340 -0.009 0.000 0.267 668 L C 1.017 177.978 176.870 0.152 0.000 1.182 668 L CA 0.505 55.480 54.840 0.226 0.000 0.997 668 L CB 0.724 42.908 42.059 0.208 0.000 1.354 668 L HN 0.828 nan 8.230 nan 0.000 0.569 669 G N -0.459 108.472 108.800 0.217 0.000 2.793 669 G HA2 0.579 4.533 3.960 -0.009 0.000 0.248 669 G HA3 0.579 4.533 3.960 -0.009 0.000 0.248 669 G C -1.681 173.256 174.900 0.062 0.000 1.198 669 G CA -0.214 44.818 45.100 -0.113 0.000 0.865 669 G HN 0.001 nan 8.290 nan 0.000 0.534 670 Q N -0.174 119.618 119.800 -0.013 0.000 2.320 670 Q HA 0.248 4.582 4.340 -0.009 0.000 0.272 670 Q C -1.263 174.926 176.000 0.315 0.000 1.023 670 Q CA -0.645 55.225 55.803 0.112 0.000 0.855 670 Q CB 2.454 31.037 28.738 -0.259 0.000 1.367 670 Q HN 0.628 nan 8.270 nan 0.000 0.406 671 N N 0.940 119.876 118.700 0.394 0.000 2.497 671 N HA 0.311 5.045 4.740 -0.009 0.000 0.268 671 N C -0.999 174.713 175.510 0.336 0.000 1.171 671 N CA -0.151 53.122 53.050 0.372 0.000 0.948 671 N CB 1.262 39.928 38.487 0.299 0.000 1.069 671 N HN 0.209 nan 8.380 nan 0.000 0.460 672 V N 3.320 123.392 119.914 0.263 0.000 2.777 672 V HA 0.338 4.453 4.120 -0.009 0.000 0.306 672 V C -0.723 175.445 176.094 0.123 0.000 1.112 672 V CA -0.994 61.410 62.300 0.173 0.000 0.917 672 V CB 1.725 33.661 31.823 0.188 0.000 1.018 672 V HN 0.547 nan 8.190 nan 0.000 0.426 673 L N 6.016 127.282 121.223 0.071 0.000 2.499 673 L HA 0.555 4.889 4.340 -0.009 0.000 0.273 673 L C -0.229 176.644 176.870 0.006 0.000 1.195 673 L CA 0.797 55.643 54.840 0.009 0.000 0.882 673 L CB 1.270 43.272 42.059 -0.095 0.000 1.133 673 L HN 0.803 nan 8.230 nan 0.000 0.483 674 V N 5.736 125.660 119.914 0.016 0.000 2.686 674 V HA 0.846 4.961 4.120 -0.009 0.000 0.306 674 V C -0.431 175.674 176.094 0.018 0.000 1.065 674 V CA -0.112 62.199 62.300 0.018 0.000 0.894 674 V CB 1.816 33.660 31.823 0.036 0.000 1.004 674 V HN 0.948 nan 8.190 nan 0.000 0.424 675 A N 6.225 129.057 122.820 0.020 0.000 2.292 675 A HA 0.757 5.072 4.320 -0.009 0.000 0.319 675 A C -0.298 177.311 177.584 0.041 0.000 1.206 675 A CA -0.460 51.597 52.037 0.034 0.000 0.835 675 A CB 0.903 19.934 19.000 0.053 0.000 1.164 675 A HN 1.182 nan 8.150 nan 0.000 0.505 676 I N 3.951 124.544 120.570 0.039 0.000 2.517 676 I HA 0.379 4.544 4.170 -0.009 0.000 0.289 676 I C -0.261 175.882 176.117 0.042 0.000 1.149 676 I CA -0.221 61.100 61.300 0.035 0.000 1.189 676 I CB -0.563 37.449 38.000 0.020 0.000 1.641 676 I HN 0.797 nan 8.210 nan 0.000 0.560 677 M N 3.964 123.606 119.600 0.070 0.000 2.846 677 M HA 0.768 5.242 4.480 -0.009 0.000 0.282 677 M C -2.885 173.480 176.300 0.109 0.000 1.266 677 M CA -2.025 53.319 55.300 0.073 0.000 0.766 677 M CB 1.025 33.670 32.600 0.075 0.000 1.739 677 M HN -0.166 nan 8.290 nan 0.000 0.442 678 P HA 0.469 nan 4.420 nan 0.000 0.292 678 P C -1.586 175.819 177.300 0.175 0.000 1.283 678 P CA -0.207 62.965 63.100 0.119 0.000 0.835 678 P CB 0.858 32.589 31.700 0.051 0.000 1.017 679 F N 0.883 120.871 119.950 0.064 0.000 2.456 679 F HA 0.266 4.790 4.527 -0.004 0.000 0.364 679 F C 1.113 176.946 175.800 0.055 0.000 1.092 679 F CA -0.389 57.665 58.000 0.089 0.000 1.125 679 F CB 0.567 39.669 39.000 0.171 0.000 1.543 679 F HN 0.198 nan 8.300 nan 0.000 0.504 680 D N 0.721 121.129 120.400 0.013 0.000 2.662 680 D HA 0.109 4.743 4.640 -0.009 0.000 0.228 680 D C 1.125 177.345 176.300 -0.133 0.000 1.090 680 D CA 0.965 54.901 54.000 -0.107 0.000 1.118 680 D CB -0.737 39.957 40.800 -0.178 0.000 1.129 680 D HN 0.784 nan 8.370 nan 0.000 0.472 681 G N 2.135 110.960 108.800 0.040 0.000 2.225 681 G HA2 -0.397 3.557 3.960 -0.009 0.000 0.272 681 G HA3 -0.397 3.557 3.960 -0.009 0.000 0.272 681 G C 0.908 175.898 174.900 0.150 0.000 0.996 681 G CA 0.769 45.943 45.100 0.123 0.000 0.710 681 G HN 0.519 nan 8.290 nan 0.000 0.522 682 Y N 0.999 121.439 120.300 0.234 0.000 2.352 682 Y HA -0.005 4.540 4.550 -0.009 0.000 0.292 682 Y C 2.037 178.020 175.900 0.138 0.000 1.136 682 Y CA 1.398 59.596 58.100 0.163 0.000 1.227 682 Y CB 0.076 38.621 38.460 0.142 0.000 0.991 682 Y HN 0.575 nan 8.280 nan 0.000 0.545 683 N N -0.515 118.369 118.700 0.307 0.000 2.671 683 N HA -0.026 4.708 4.740 -0.009 0.000 0.303 683 N C 0.795 176.415 175.510 0.183 0.000 1.351 683 N CA -0.288 52.879 53.050 0.195 0.000 0.991 683 N CB -0.992 37.574 38.487 0.132 0.000 1.307 683 N HN 0.111 nan 8.380 nan 0.000 0.512 684 F N 1.784 121.776 119.950 0.071 0.000 2.014 684 F HA -0.204 4.316 4.527 -0.011 0.000 0.299 684 F C 1.987 177.804 175.800 0.029 0.000 1.224 684 F CA 1.902 59.926 58.000 0.040 0.000 1.200 684 F CB 0.051 39.068 39.000 0.029 0.000 0.948 684 F HN 0.200 nan 8.300 nan 0.000 0.520 685 E N -1.229 118.906 120.200 -0.107 0.000 2.057 685 E HA -0.034 4.310 4.350 -0.009 0.000 0.190 685 E C -0.380 176.173 176.600 -0.077 0.000 0.969 685 E CA 1.077 57.337 56.400 -0.234 0.000 0.812 685 E CB 0.190 29.876 29.700 -0.024 0.000 0.777 685 E HN 0.384 nan 8.360 nan 0.000 0.455 686 D N -0.639 119.775 120.400 0.022 0.000 2.445 686 D HA 0.374 5.008 4.640 -0.009 0.000 0.236 686 D C -1.461 174.871 176.300 0.053 0.000 1.315 686 D CA 0.037 54.051 54.000 0.023 0.000 0.924 686 D CB 1.325 42.133 40.800 0.013 0.000 1.447 686 D HN 0.065 nan 8.370 nan 0.000 0.532 687 A N 1.781 124.639 122.820 0.063 0.000 2.549 687 A HA 0.841 5.156 4.320 -0.009 0.000 0.297 687 A C -1.067 176.543 177.584 0.044 0.000 1.061 687 A CA -0.588 51.491 52.037 0.071 0.000 0.690 687 A CB 1.467 20.548 19.000 0.135 0.000 1.287 687 A HN 0.340 nan 8.150 nan 0.000 0.402 688 I N 1.402 121.976 120.570 0.006 0.000 2.509 688 I HA 0.476 4.640 4.170 -0.009 0.000 0.293 688 I C -0.646 175.428 176.117 -0.071 0.000 1.020 688 I CA -1.176 60.105 61.300 -0.031 0.000 1.088 688 I CB 2.224 40.188 38.000 -0.060 0.000 1.267 688 I HN 0.386 nan 8.210 nan 0.000 0.430 689 V N 5.627 125.471 119.914 -0.117 0.000 2.439 689 V HA 0.452 4.567 4.120 -0.009 0.000 0.282 689 V C 0.036 175.998 176.094 -0.220 0.000 1.039 689 V CA -0.581 61.582 62.300 -0.228 0.000 0.913 689 V CB 1.380 32.952 31.823 -0.418 0.000 0.983 689 V HN 0.381 nan 8.190 nan 0.000 0.460 690 I N 2.926 123.370 120.570 -0.211 0.000 2.493 690 I HA 0.372 4.537 4.170 -0.009 0.000 0.298 690 I C 0.414 176.437 176.117 -0.158 0.000 0.998 690 I CA -0.128 61.075 61.300 -0.162 0.000 1.137 690 I CB 2.035 39.957 38.000 -0.130 0.000 1.310 690 I HN 0.736 nan 8.210 nan 0.000 0.445 691 S N 4.317 119.946 115.700 -0.119 0.000 2.465 691 S HA 0.100 4.565 4.470 -0.009 0.000 0.279 691 S C 1.163 175.721 174.600 -0.070 0.000 1.201 691 S CA -0.293 57.849 58.200 -0.097 0.000 1.053 691 S CB 0.338 63.491 63.200 -0.079 0.000 0.953 691 S HN 0.675 nan 8.310 nan 0.000 0.488 692 E N 2.806 122.968 120.200 -0.063 0.000 2.187 692 E HA -0.259 4.085 4.350 -0.009 0.000 0.199 692 E C 1.329 177.911 176.600 -0.030 0.000 1.004 692 E CA 1.502 57.877 56.400 -0.041 0.000 0.813 692 E CB -0.019 29.661 29.700 -0.035 0.000 0.736 692 E HN 0.851 nan 8.360 nan 0.000 0.468 693 E N 0.206 120.381 120.200 -0.041 0.000 2.267 693 E HA -0.155 4.189 4.350 -0.009 0.000 0.197 693 E C 1.823 178.380 176.600 -0.071 0.000 0.998 693 E CA 0.658 57.029 56.400 -0.048 0.000 0.830 693 E CB -0.096 29.569 29.700 -0.058 0.000 0.751 693 E HN 0.334 nan 8.360 nan 0.000 0.491 694 L N -0.657 120.526 121.223 -0.067 0.000 2.217 694 L HA -0.067 4.267 4.340 -0.009 0.000 0.211 694 L C 2.032 178.942 176.870 0.066 0.000 1.107 694 L CA 0.522 55.326 54.840 -0.060 0.000 0.783 694 L CB -0.087 41.987 42.059 0.026 0.000 0.919 694 L HN 0.199 nan 8.230 nan 0.000 0.442 695 L N -0.968 120.287 121.223 0.054 0.000 2.162 695 L HA -0.101 4.234 4.340 -0.009 0.000 0.205 695 L C 2.500 179.408 176.870 0.063 0.000 1.086 695 L CA 0.757 55.641 54.840 0.073 0.000 0.778 695 L CB -0.285 41.799 42.059 0.042 0.000 0.928 695 L HN 0.130 nan 8.230 nan 0.000 0.446 696 K N 0.578 121.000 120.400 0.036 0.000 2.074 696 K HA -0.136 4.179 4.320 -0.009 0.000 0.209 696 K C 0.504 177.139 176.600 0.058 0.000 1.048 696 K CA 1.127 57.434 56.287 0.033 0.000 0.926 696 K CB -0.154 32.354 32.500 0.014 0.000 0.713 696 K HN 0.339 nan 8.250 nan 0.000 0.444 697 R N 1.868 122.420 120.500 0.087 0.000 2.390 697 R HA 0.083 4.417 4.340 -0.009 0.000 0.291 697 R C -0.717 175.704 176.300 0.203 0.000 1.070 697 R CA -0.306 55.895 56.100 0.167 0.000 1.014 697 R CB 0.364 30.836 30.300 0.286 0.000 1.007 697 R HN 0.036 nan 8.270 nan 0.000 0.466 698 D N 2.788 123.270 120.400 0.138 0.000 2.597 698 D HA 0.006 4.641 4.640 -0.009 0.000 0.228 698 D C -0.110 176.230 176.300 0.068 0.000 1.120 698 D CA 0.242 54.297 54.000 0.092 0.000 1.083 698 D CB -0.137 40.684 40.800 0.035 0.000 1.116 698 D HN 0.402 nan 8.370 nan 0.000 0.487 699 F N -0.198 119.719 119.950 -0.055 0.000 2.085 699 F HA 0.046 4.568 4.527 -0.009 0.000 0.284 699 F C 1.324 176.972 175.800 -0.252 0.000 1.127 699 F CA 0.715 58.614 58.000 -0.169 0.000 1.164 699 F CB -0.145 38.755 39.000 -0.167 0.000 1.035 699 F HN 0.228 nan 8.300 nan 0.000 0.481 700 Y N 0.580 120.999 120.300 0.199 0.000 2.465 700 Y HA 0.091 4.636 4.550 -0.009 0.000 0.311 700 Y C 0.551 176.468 175.900 0.029 0.000 1.204 700 Y CA -0.397 57.751 58.100 0.080 0.000 1.272 700 Y CB -0.983 37.520 38.460 0.072 0.000 1.083 700 Y HN -0.125 nan 8.280 nan 0.000 0.508 701 T N 0.011 114.628 114.554 0.106 0.000 2.870 701 T HA 0.277 4.621 4.350 -0.009 0.000 0.300 701 T C 0.228 174.960 174.700 0.053 0.000 0.989 701 T CA -0.582 61.562 62.100 0.072 0.000 1.139 701 T CB 1.074 69.973 68.868 0.051 0.000 0.920 701 T HN 0.265 nan 8.240 nan 0.000 0.537 702 S N 2.293 118.033 115.700 0.065 0.000 2.532 702 S HA 0.586 5.050 4.470 -0.009 0.000 0.299 702 S C -0.504 174.160 174.600 0.106 0.000 1.105 702 S CA -1.082 57.165 58.200 0.078 0.000 1.018 702 S CB 0.763 64.017 63.200 0.091 0.000 1.021 702 S HN 0.654 nan 8.310 nan 0.000 0.483 703 I N 3.805 124.444 120.570 0.116 0.000 2.363 703 I HA 0.256 4.420 4.170 -0.009 0.000 0.292 703 I C 0.303 176.535 176.117 0.192 0.000 1.075 703 I CA -0.095 61.296 61.300 0.152 0.000 1.333 703 I CB 0.214 38.313 38.000 0.165 0.000 1.415 703 I HN 0.807 nan 8.210 nan 0.000 0.502 704 H N 7.021 126.157 119.070 0.109 0.000 2.621 704 H HA 0.674 5.224 4.556 -0.009 0.000 0.360 704 H C -1.073 174.335 175.328 0.133 0.000 1.163 704 H CA -0.605 55.517 56.048 0.124 0.000 1.194 704 H CB 1.639 31.472 29.762 0.117 0.000 1.649 704 H HN 0.431 nan 8.280 nan 0.000 0.532 705 I N 3.652 123.924 120.570 -0.496 0.000 2.476 705 I HA 0.155 4.319 4.170 -0.009 0.000 0.281 705 I C -0.819 175.193 176.117 -0.175 0.000 1.040 705 I CA -0.580 60.631 61.300 -0.148 0.000 1.094 705 I CB 1.574 39.566 38.000 -0.014 0.000 1.219 705 I HN 0.598 nan 8.210 nan 0.000 0.450 706 E N 6.243 126.508 120.200 0.109 0.000 2.277 706 E HA 0.384 4.728 4.350 -0.009 0.000 0.274 706 E C -0.619 175.984 176.600 0.006 0.000 1.022 706 E CA -0.537 55.913 56.400 0.085 0.000 0.853 706 E CB 1.294 31.091 29.700 0.161 0.000 1.086 706 E HN 0.373 nan 8.360 nan 0.000 0.397 707 R N 4.420 124.788 120.500 -0.221 0.000 2.371 707 R HA 0.231 4.566 4.340 -0.009 0.000 0.312 707 R C -1.234 174.869 176.300 -0.328 0.000 0.980 707 R CA -0.560 55.334 56.100 -0.344 0.000 0.867 707 R CB 0.239 30.213 30.300 -0.543 0.000 1.163 707 R HN 0.516 nan 8.270 nan 0.000 0.492 708 Y N 1.568 121.732 120.300 -0.227 0.000 2.320 708 Y HA 0.376 4.920 4.550 -0.010 0.000 0.324 708 Y C 0.466 176.275 175.900 -0.151 0.000 1.190 708 Y CA -0.525 57.490 58.100 -0.141 0.000 1.215 708 Y CB 1.065 39.470 38.460 -0.092 0.000 1.221 708 Y HN 0.464 nan 8.280 nan 0.000 0.486 709 E N 2.463 122.681 120.200 0.029 0.000 2.356 709 E HA 0.646 4.990 4.350 -0.009 0.000 0.275 709 E C -1.901 174.710 176.600 0.019 0.000 0.904 709 E CA -0.777 55.625 56.400 0.004 0.000 0.757 709 E CB 2.666 32.349 29.700 -0.029 0.000 1.232 709 E HN 0.725 nan 8.360 nan 0.000 0.442 710 I N 1.787 122.368 120.570 0.018 0.000 2.802 710 I HA 0.387 4.552 4.170 -0.009 0.000 0.298 710 I C -1.418 174.708 176.117 0.015 0.000 1.176 710 I CA -0.491 60.819 61.300 0.016 0.000 1.025 710 I CB 2.103 40.112 38.000 0.014 0.000 1.243 710 I HN 0.553 nan 8.210 nan 0.000 0.424 711 E N 4.245 124.454 120.200 0.015 0.000 2.212 711 E HA 0.631 4.975 4.350 -0.009 0.000 0.268 711 E C -1.020 175.591 176.600 0.018 0.000 0.902 711 E CA -0.988 55.422 56.400 0.017 0.000 0.779 711 E CB 2.056 31.767 29.700 0.017 0.000 1.172 711 E HN 0.613 nan 8.360 nan 0.000 0.409 712 A N 4.082 126.914 122.820 0.020 0.000 2.415 712 A HA 0.298 4.613 4.320 -0.009 0.000 0.309 712 A C -0.165 177.436 177.584 0.029 0.000 1.356 712 A CA -0.258 51.793 52.037 0.025 0.000 0.998 712 A CB 0.067 19.081 19.000 0.024 0.000 1.145 712 A HN 0.512 nan 8.150 nan 0.000 0.545 713 R N 1.457 121.977 120.500 0.034 0.000 2.536 713 R HA 0.302 4.636 4.340 -0.009 0.000 0.279 713 R C -1.145 175.180 176.300 0.042 0.000 1.001 713 R CA -0.637 55.484 56.100 0.034 0.000 1.027 713 R CB 1.367 31.686 30.300 0.032 0.000 1.096 713 R HN 0.760 nan 8.270 nan 0.000 0.502 714 D N 0.802 121.222 120.400 0.033 0.000 2.380 714 D HA 0.131 4.765 4.640 -0.009 0.000 0.230 714 D C -0.886 175.428 176.300 0.023 0.000 1.154 714 D CA 0.167 54.184 54.000 0.028 0.000 0.859 714 D CB 0.888 41.699 40.800 0.018 0.000 1.045 714 D HN 0.240 nan 8.370 nan 0.000 0.495 715 T N 3.081 117.651 114.554 0.028 0.000 2.925 715 T HA 0.180 4.524 4.350 -0.009 0.000 0.285 715 T C 1.242 175.925 174.700 -0.029 0.000 1.021 715 T CA -0.854 61.255 62.100 0.015 0.000 1.042 715 T CB 1.647 70.544 68.868 0.048 0.000 1.037 715 T HN 0.156 nan 8.240 nan 0.000 0.481 716 K N 1.483 121.861 120.400 -0.038 0.000 2.442 716 K HA 0.127 4.441 4.320 -0.009 0.000 0.198 716 K C 1.708 178.229 176.600 -0.132 0.000 1.042 716 K CA 0.612 56.857 56.287 -0.069 0.000 0.958 716 K CB -0.332 32.140 32.500 -0.047 0.000 0.766 716 K HN 0.536 nan 8.250 nan 0.000 0.474 717 L N -0.933 120.207 121.223 -0.139 0.000 2.313 717 L HA 0.076 4.411 4.340 -0.009 0.000 0.214 717 L C 0.895 177.334 176.870 -0.719 0.000 1.119 717 L CA 0.357 55.040 54.840 -0.262 0.000 0.809 717 L CB -0.223 41.802 42.059 -0.057 0.000 0.933 717 L HN 0.156 nan 8.230 nan 0.000 0.449 718 G N -0.473 108.045 108.800 -0.471 0.000 2.306 718 G HA2 0.080 4.034 3.960 -0.009 0.000 0.340 718 G HA3 0.080 4.034 3.960 -0.009 0.000 0.340 718 G C -3.120 171.817 174.900 0.061 0.000 1.630 718 G CA -1.142 43.628 45.100 -0.550 0.000 0.937 718 G HN -0.289 nan 8.290 nan 0.000 0.693 719 P HA 0.160 nan 4.420 nan 0.000 0.265 719 P C -0.116 177.313 177.300 0.215 0.000 1.187 719 P CA 0.381 63.564 63.100 0.139 0.000 0.766 719 P CB 0.476 32.231 31.700 0.092 0.000 0.820 720 E N 3.100 123.379 120.200 0.132 0.000 2.052 720 E HA 0.131 4.475 4.350 -0.009 0.000 0.283 720 E C 0.094 176.727 176.600 0.054 0.000 1.071 720 E CA -0.241 56.214 56.400 0.092 0.000 0.851 720 E CB 0.447 30.183 29.700 0.061 0.000 1.066 720 E HN 0.268 nan 8.360 nan 0.000 0.396 721 R N 2.106 122.627 120.500 0.035 0.000 2.582 721 R HA 0.257 4.591 4.340 -0.009 0.000 0.271 721 R C 0.305 176.604 176.300 -0.002 0.000 1.078 721 R CA -0.289 55.822 56.100 0.017 0.000 1.127 721 R CB 0.798 31.102 30.300 0.005 0.000 1.038 721 R HN 0.470 nan 8.270 nan 0.000 0.500 722 I N 2.999 123.569 120.570 0.000 0.000 2.692 722 I HA 0.130 4.295 4.170 -0.009 0.000 0.285 722 I C -0.826 175.285 176.117 -0.010 0.000 1.191 722 I CA 0.377 61.674 61.300 -0.005 0.000 1.128 722 I CB 0.490 38.492 38.000 0.003 0.000 1.585 722 I HN 0.554 nan 8.210 nan 0.000 0.558 723 T N 3.868 118.411 114.554 -0.019 0.000 2.942 723 T HA 0.328 4.673 4.350 -0.009 0.000 0.289 723 T C 1.002 175.687 174.700 -0.026 0.000 1.044 723 T CA -0.636 61.451 62.100 -0.020 0.000 1.023 723 T CB 1.901 70.755 68.868 -0.023 0.000 1.123 723 T HN 0.597 nan 8.240 nan 0.000 0.512 724 R N 1.065 121.551 120.500 -0.023 0.000 2.366 724 R HA -0.001 4.334 4.340 -0.009 0.000 0.201 724 R C -0.734 175.547 176.300 -0.030 0.000 1.057 724 R CA 0.376 56.461 56.100 -0.025 0.000 1.086 724 R CB -0.382 29.905 30.300 -0.021 0.000 0.914 724 R HN 0.534 nan 8.270 nan 0.000 0.476 725 D N 0.892 121.270 120.400 -0.037 0.000 2.468 725 D HA 0.127 4.762 4.640 -0.009 0.000 0.218 725 D C -0.221 176.046 176.300 -0.055 0.000 1.155 725 D CA -0.029 53.943 54.000 -0.046 0.000 0.924 725 D CB 0.548 41.315 40.800 -0.054 0.000 1.029 725 D HN 0.200 nan 8.370 nan 0.000 0.515 726 I N 1.274 121.816 120.570 -0.047 0.000 2.268 726 I HA 0.249 4.413 4.170 -0.009 0.000 0.290 726 I C -1.417 174.668 176.117 -0.054 0.000 1.125 726 I CA -1.715 59.556 61.300 -0.049 0.000 1.236 726 I CB 0.520 38.501 38.000 -0.033 0.000 1.469 726 I HN 0.035 nan 8.210 nan 0.000 0.512 727 P HA -0.320 nan 4.420 nan 0.000 0.225 727 P C 1.430 178.664 177.300 -0.110 0.000 0.810 727 P CA 1.831 64.841 63.100 -0.150 0.000 1.060 727 P CB -0.062 31.494 31.700 -0.241 0.000 0.728 728 H N -2.693 116.347 119.070 -0.049 0.000 2.423 728 H HA 0.036 4.586 4.556 -0.009 0.000 0.297 728 H C 1.651 176.950 175.328 -0.049 0.000 1.075 728 H CA 1.093 57.112 56.048 -0.049 0.000 1.342 728 H CB -0.131 29.601 29.762 -0.050 0.000 1.395 728 H HN 0.063 nan 8.280 nan 0.000 0.530 729 L N -0.930 120.337 121.223 0.074 0.000 3.195 729 L HA 0.137 4.471 4.340 -0.009 0.000 0.290 729 L C 0.155 177.026 176.870 0.002 0.000 1.092 729 L CA 0.577 55.434 54.840 0.027 0.000 1.094 729 L CB 0.154 42.214 42.059 0.001 0.000 1.743 729 L HN 0.181 nan 8.230 nan 0.000 0.579 730 S N -1.948 113.750 115.700 -0.004 0.000 2.565 730 S HA 0.364 4.828 4.470 -0.009 0.000 0.269 730 S C 0.257 174.849 174.600 -0.013 0.000 1.153 730 S CA -0.297 57.897 58.200 -0.010 0.000 0.835 730 S CB 2.348 65.540 63.200 -0.014 0.000 1.122 730 S HN -0.020 nan 8.310 nan 0.000 0.462 731 E N 1.483 121.675 120.200 -0.013 0.000 2.190 731 E HA 0.281 4.625 4.350 -0.009 0.000 0.191 731 E C 1.999 178.589 176.600 -0.017 0.000 0.978 731 E CA 1.503 57.894 56.400 -0.015 0.000 0.839 731 E CB -0.593 29.099 29.700 -0.013 0.000 0.787 731 E HN 0.796 nan 8.360 nan 0.000 0.473 732 A N 1.045 123.855 122.820 -0.016 0.000 1.948 732 A HA -0.124 4.191 4.320 -0.009 0.000 0.220 732 A C 2.409 179.981 177.584 -0.021 0.000 1.177 732 A CA 2.133 54.159 52.037 -0.018 0.000 0.636 732 A CB -0.981 18.009 19.000 -0.017 0.000 0.815 732 A HN 0.361 nan 8.150 nan 0.000 0.449 733 A N -1.036 121.771 122.820 -0.021 0.000 2.067 733 A HA 0.098 4.412 4.320 -0.009 0.000 0.219 733 A C 1.956 179.524 177.584 -0.027 0.000 1.158 733 A CA 1.238 53.260 52.037 -0.025 0.000 0.661 733 A CB -0.290 18.695 19.000 -0.024 0.000 0.801 733 A HN 0.395 nan 8.150 nan 0.000 0.452 734 L N -0.596 120.612 121.223 -0.024 0.000 2.131 734 L HA -0.050 4.284 4.340 -0.009 0.000 0.206 734 L C 2.318 179.173 176.870 -0.025 0.000 1.087 734 L CA 1.233 56.058 54.840 -0.025 0.000 0.767 734 L CB -1.354 40.692 42.059 -0.022 0.000 0.917 734 L HN 0.458 nan 8.230 nan 0.000 0.441 735 R N 0.515 121.001 120.500 -0.024 0.000 2.335 735 R HA -0.291 4.044 4.340 -0.009 0.000 0.219 735 R C 1.630 177.914 176.300 -0.026 0.000 1.088 735 R CA 2.328 58.414 56.100 -0.023 0.000 0.828 735 R CB -0.861 29.425 30.300 -0.023 0.000 0.902 735 R HN 0.338 nan 8.270 nan 0.000 0.409 736 D N 0.463 120.845 120.400 -0.030 0.000 2.311 736 D HA -0.109 4.525 4.640 -0.009 0.000 0.212 736 D C 1.590 177.870 176.300 -0.034 0.000 0.972 736 D CA 0.974 54.953 54.000 -0.033 0.000 0.887 736 D CB -0.128 40.649 40.800 -0.040 0.000 0.915 736 D HN 0.244 nan 8.370 nan 0.000 0.497 737 L N 0.755 121.958 121.223 -0.032 0.000 2.650 737 L HA -0.041 4.294 4.340 -0.009 0.000 0.235 737 L C 1.494 178.350 176.870 -0.025 0.000 1.149 737 L CA 0.047 54.869 54.840 -0.030 0.000 0.887 737 L CB -0.153 41.888 42.059 -0.030 0.000 1.021 737 L HN -0.170 nan 8.230 nan 0.000 0.441 738 D N 0.821 121.207 120.400 -0.024 0.000 2.587 738 D HA -0.254 4.381 4.640 -0.009 0.000 0.487 738 D C 0.726 177.015 176.300 -0.018 0.000 0.974 738 D CA 1.511 55.498 54.000 -0.021 0.000 1.412 738 D CB -0.221 40.566 40.800 -0.021 0.000 1.100 738 D HN 0.227 nan 8.370 nan 0.000 0.439 739 E N 2.039 122.228 120.200 -0.017 0.000 2.868 739 E HA -0.077 4.268 4.350 -0.009 0.000 0.246 739 E C -0.127 176.465 176.600 -0.013 0.000 0.962 739 E CA 0.463 56.854 56.400 -0.014 0.000 0.955 739 E CB -0.376 29.317 29.700 -0.013 0.000 0.903 739 E HN 0.271 nan 8.360 nan 0.000 0.524 740 E N 1.876 122.068 120.200 -0.012 0.000 3.024 740 E HA -0.038 4.306 4.350 -0.009 0.000 0.224 740 E C 1.009 177.602 176.600 -0.012 0.000 1.135 740 E CA 0.794 57.187 56.400 -0.012 0.000 0.934 740 E CB -0.368 29.326 29.700 -0.010 0.000 0.977 740 E HN 0.778 nan 8.360 nan 0.000 0.537 741 G N 1.673 110.464 108.800 -0.015 0.000 2.601 741 G HA2 -0.273 3.682 3.960 -0.009 0.000 0.233 741 G HA3 -0.273 3.682 3.960 -0.009 0.000 0.233 741 G C 0.256 175.147 174.900 -0.016 0.000 1.896 741 G CA -0.321 44.771 45.100 -0.014 0.000 1.514 741 G HN 0.418 nan 8.290 nan 0.000 0.512 742 V N 2.045 121.953 119.914 -0.011 0.000 3.178 742 V HA 0.400 4.514 4.120 -0.009 0.000 0.306 742 V C 1.489 177.572 176.094 -0.018 0.000 1.107 742 V CA 0.349 62.642 62.300 -0.010 0.000 1.195 742 V CB 1.489 33.311 31.823 -0.002 0.000 0.993 742 V HN 1.015 nan 8.190 nan 0.000 0.493 743 V N 4.802 124.703 119.914 -0.022 0.000 2.583 743 V HA 0.326 4.440 4.120 -0.009 0.000 0.287 743 V C 0.749 176.827 176.094 -0.026 0.000 1.051 743 V CA -0.644 61.638 62.300 -0.031 0.000 1.010 743 V CB 1.183 32.978 31.823 -0.047 0.000 0.988 743 V HN 1.010 nan 8.190 nan 0.000 0.478 744 R N 6.881 127.364 120.500 -0.028 0.000 2.489 744 R HA 0.299 4.633 4.340 -0.009 0.000 0.287 744 R C -0.142 176.140 176.300 -0.031 0.000 1.053 744 R CA -0.516 55.568 56.100 -0.027 0.000 1.036 744 R CB 0.169 30.452 30.300 -0.028 0.000 0.966 744 R HN 0.535 nan 8.270 nan 0.000 0.432 745 I N 2.310 122.862 120.570 -0.030 0.000 3.003 745 I HA 0.011 4.175 4.170 -0.009 0.000 0.294 745 I C 1.656 177.748 176.117 -0.042 0.000 1.237 745 I CA 1.021 62.300 61.300 -0.036 0.000 1.417 745 I CB -0.591 37.384 38.000 -0.042 0.000 1.340 745 I HN 1.063 nan 8.210 nan 0.000 0.594 746 G N 3.526 112.297 108.800 -0.048 0.000 2.179 746 G HA2 -0.129 3.825 3.960 -0.009 0.000 0.257 746 G HA3 -0.129 3.825 3.960 -0.009 0.000 0.257 746 G C 0.346 175.221 174.900 -0.043 0.000 1.010 746 G CA 0.318 45.388 45.100 -0.050 0.000 0.736 746 G HN 1.192 nan 8.290 nan 0.000 0.513 747 A N -0.187 122.608 122.820 -0.042 0.000 2.274 747 A HA 0.700 5.015 4.320 -0.009 0.000 0.309 747 A C 0.315 177.872 177.584 -0.044 0.000 1.226 747 A CA -0.022 51.990 52.037 -0.041 0.000 0.853 747 A CB 0.683 19.658 19.000 -0.042 0.000 1.146 747 A HN 0.543 nan 8.150 nan 0.000 0.518 748 E N 2.028 122.205 120.200 -0.039 0.000 2.265 748 E HA 0.338 4.682 4.350 -0.009 0.000 0.272 748 E C -0.470 176.101 176.600 -0.047 0.000 1.067 748 E CA -0.289 56.089 56.400 -0.038 0.000 0.900 748 E CB 0.474 30.157 29.700 -0.028 0.000 1.017 748 E HN 0.588 nan 8.360 nan 0.000 0.431 749 V N 2.306 122.184 119.914 -0.061 0.000 2.347 749 V HA 0.499 4.613 4.120 -0.009 0.000 0.280 749 V C -0.258 175.793 176.094 -0.072 0.000 1.021 749 V CA -0.928 61.323 62.300 -0.081 0.000 0.847 749 V CB 1.239 32.985 31.823 -0.129 0.000 0.990 749 V HN 0.536 nan 8.190 nan 0.000 0.444 750 K N 4.972 125.338 120.400 -0.057 0.000 2.106 750 K HA 0.602 4.917 4.320 -0.009 0.000 0.246 750 K C -2.667 173.903 176.600 -0.049 0.000 0.987 750 K CA -2.354 53.908 56.287 -0.041 0.000 0.904 750 K CB 1.405 33.888 32.500 -0.029 0.000 1.071 750 K HN 0.484 nan 8.250 nan 0.000 0.453 751 P HA -0.026 nan 4.420 nan 0.000 0.260 751 P C -0.003 177.271 177.300 -0.044 0.000 1.185 751 P CA 1.171 64.249 63.100 -0.036 0.000 0.763 751 P CB 0.531 32.221 31.700 -0.016 0.000 0.776 752 G N 2.727 111.492 108.800 -0.058 0.000 2.339 752 G HA2 -0.175 3.779 3.960 -0.009 0.000 0.209 752 G HA3 -0.175 3.779 3.960 -0.009 0.000 0.209 752 G C -0.040 174.825 174.900 -0.058 0.000 1.015 752 G CA -0.418 44.649 45.100 -0.055 0.000 0.635 752 G HN 0.489 nan 8.290 nan 0.000 0.499 753 D N 1.945 122.308 120.400 -0.062 0.000 2.390 753 D HA 0.322 4.956 4.640 -0.009 0.000 0.236 753 D C 1.232 177.488 176.300 -0.072 0.000 1.189 753 D CA 0.067 54.029 54.000 -0.063 0.000 0.887 753 D CB 0.478 41.238 40.800 -0.066 0.000 1.198 753 D HN 0.285 nan 8.370 nan 0.000 0.444 754 I N 1.878 122.411 120.570 -0.062 0.000 2.436 754 I HA -0.005 4.159 4.170 -0.009 0.000 0.289 754 I C 1.446 177.519 176.117 -0.074 0.000 1.083 754 I CA 0.068 61.332 61.300 -0.060 0.000 1.372 754 I CB -0.109 37.863 38.000 -0.046 0.000 1.408 754 I HN 0.336 nan 8.210 nan 0.000 0.516 755 L N 6.160 127.331 121.223 -0.087 0.000 2.249 755 L HA 0.167 4.502 4.340 -0.009 0.000 0.207 755 L C 0.310 177.144 176.870 -0.061 0.000 1.090 755 L CA 0.812 55.590 54.840 -0.102 0.000 0.802 755 L CB 0.288 42.252 42.059 -0.158 0.000 0.947 755 L HN 0.420 nan 8.230 nan 0.000 0.453 756 V N -1.221 118.666 119.914 -0.045 0.000 3.000 756 V HA 0.532 4.647 4.120 -0.009 0.000 0.300 756 V C -0.269 175.810 176.094 -0.026 0.000 1.251 756 V CA -0.786 61.498 62.300 -0.027 0.000 0.972 756 V CB 1.756 33.571 31.823 -0.013 0.000 1.065 756 V HN 0.048 nan 8.190 nan 0.000 0.431 757 G N 2.127 110.912 108.800 -0.024 0.000 2.389 757 G HA2 0.793 4.748 3.960 -0.009 0.000 0.328 757 G HA3 0.793 4.748 3.960 -0.009 0.000 0.328 757 G C -0.919 173.967 174.900 -0.024 0.000 1.133 757 G CA -0.587 44.497 45.100 -0.027 0.000 0.891 757 G HN 0.757 nan 8.290 nan 0.000 0.485 758 R N -0.242 120.241 120.500 -0.029 0.000 2.668 758 R HA 0.642 4.976 4.340 -0.009 0.000 0.272 758 R C -1.138 175.135 176.300 -0.046 0.000 1.019 758 R CA -0.582 55.502 56.100 -0.027 0.000 0.894 758 R CB 2.066 32.358 30.300 -0.014 0.000 1.228 758 R HN 0.698 nan 8.270 nan 0.000 0.460 759 T N 0.327 114.846 114.554 -0.057 0.000 2.906 759 T HA 0.476 4.820 4.350 -0.009 0.000 0.302 759 T C -0.478 174.150 174.700 -0.120 0.000 1.002 759 T CA -0.617 61.416 62.100 -0.112 0.000 0.988 759 T CB 1.185 69.960 68.868 -0.155 0.000 0.972 759 T HN 0.552 nan 8.240 nan 0.000 0.447 760 S N 2.741 118.377 115.700 -0.107 0.000 2.704 760 S HA 0.838 5.302 4.470 -0.009 0.000 0.305 760 S C -0.662 173.872 174.600 -0.110 0.000 1.107 760 S CA -0.956 57.237 58.200 -0.013 0.000 0.993 760 S CB 0.642 63.873 63.200 0.051 0.000 1.110 760 S HN 0.516 nan 8.310 nan 0.000 0.534 761 F N 1.408 121.355 119.950 -0.005 0.000 2.394 761 F HA 0.495 5.016 4.527 -0.009 0.000 0.340 761 F C 1.672 177.472 175.800 -0.001 0.000 1.105 761 F CA -0.866 57.132 58.000 -0.005 0.000 1.124 761 F CB 1.197 40.195 39.000 -0.003 0.000 1.145 761 F HN 0.826 nan 8.300 nan 0.000 0.505 762 K N 2.157 122.624 120.400 0.111 0.000 1.990 762 K HA -0.117 4.198 4.320 -0.009 0.000 0.225 762 K C 1.188 177.833 176.600 0.074 0.000 1.053 762 K CA 1.745 58.071 56.287 0.065 0.000 0.982 762 K CB -0.556 31.972 32.500 0.048 0.000 0.734 762 K HN 0.866 nan 8.250 nan 0.000 0.448 763 G N -0.912 107.937 108.800 0.082 0.000 2.531 763 G HA2 0.081 4.035 3.960 -0.009 0.000 0.281 763 G HA3 0.081 4.035 3.960 -0.009 0.000 0.281 763 G C 0.157 175.093 174.900 0.060 0.000 1.382 763 G CA -0.374 44.763 45.100 0.061 0.000 1.045 763 G HN 0.320 nan 8.290 nan 0.000 0.533 764 E N -0.842 119.384 120.200 0.043 0.000 2.030 764 E HA -0.019 4.326 4.350 -0.009 0.000 0.189 764 E C 2.283 178.900 176.600 0.028 0.000 0.974 764 E CA 1.503 57.925 56.400 0.035 0.000 0.807 764 E CB 0.153 29.869 29.700 0.027 0.000 0.771 764 E HN 0.342 nan 8.360 nan 0.000 0.451 765 S N -0.047 115.667 115.700 0.023 0.000 2.727 765 S HA 0.062 4.527 4.470 -0.009 0.000 0.249 765 S C 0.005 174.616 174.600 0.019 0.000 1.079 765 S CA -0.191 58.016 58.200 0.013 0.000 0.912 765 S CB 0.718 63.921 63.200 0.006 0.000 0.861 765 S HN 0.083 nan 8.310 nan 0.000 0.484 766 E N 2.072 122.288 120.200 0.026 0.000 2.212 766 E HA 0.623 4.967 4.350 -0.009 0.000 0.270 766 E C -2.647 173.976 176.600 0.038 0.000 0.956 766 E CA -1.881 54.535 56.400 0.028 0.000 0.825 766 E CB -0.097 29.616 29.700 0.022 0.000 1.167 766 E HN -0.011 nan 8.360 nan 0.000 0.400 767 P HA 0.284 nan 4.420 nan 0.000 0.312 767 P C -0.723 176.600 177.300 0.038 0.000 1.307 767 P CA -0.574 62.553 63.100 0.045 0.000 0.738 767 P CB 0.458 32.184 31.700 0.043 0.000 1.422 768 T N 0.026 114.603 114.554 0.038 0.000 2.890 768 T HA 0.269 4.613 4.350 -0.009 0.000 0.295 768 T C -2.176 172.544 174.700 0.033 0.000 0.993 768 T CA -0.847 61.274 62.100 0.035 0.000 0.979 768 T CB 1.429 70.319 68.868 0.038 0.000 0.967 768 T HN 0.133 nan 8.240 nan 0.000 0.441 769 P HA -0.123 nan 4.420 nan 0.000 0.215 769 P C 1.538 178.855 177.300 0.029 0.000 1.157 769 P CA 1.061 64.177 63.100 0.027 0.000 0.874 769 P CB 0.390 32.103 31.700 0.023 0.000 0.790 770 E N -0.638 119.579 120.200 0.030 0.000 2.076 770 E HA -0.163 4.181 4.350 -0.009 0.000 0.190 770 E C 1.967 178.590 176.600 0.039 0.000 0.979 770 E CA 0.814 57.234 56.400 0.032 0.000 0.807 770 E CB -0.357 29.361 29.700 0.030 0.000 0.761 770 E HN 0.419 nan 8.360 nan 0.000 0.454 771 E N 0.832 121.056 120.200 0.040 0.000 2.418 771 E HA -0.172 4.173 4.350 -0.009 0.000 0.197 771 E C 2.003 178.634 176.600 0.052 0.000 1.026 771 E CA 0.304 56.733 56.400 0.049 0.000 0.862 771 E CB 0.174 29.904 29.700 0.050 0.000 0.799 771 E HN -0.087 nan 8.360 nan 0.000 0.518 772 R N 0.322 120.849 120.500 0.044 0.000 2.062 772 R HA -0.100 4.234 4.340 -0.009 0.000 0.229 772 R C 2.211 178.538 176.300 0.045 0.000 1.128 772 R CA 0.978 57.103 56.100 0.042 0.000 0.960 772 R CB -0.654 29.666 30.300 0.034 0.000 0.855 772 R HN 0.236 nan 8.270 nan 0.000 0.432 773 L N 0.584 121.832 121.223 0.043 0.000 2.017 773 L HA -0.094 4.240 4.340 -0.009 0.000 0.208 773 L C 1.961 178.869 176.870 0.063 0.000 1.073 773 L CA 1.769 56.635 54.840 0.044 0.000 0.745 773 L CB -1.046 41.036 42.059 0.037 0.000 0.894 773 L HN 0.395 nan 8.230 nan 0.000 0.432 774 L N -0.272 120.996 121.223 0.075 0.000 1.990 774 L HA -0.233 4.101 4.340 -0.009 0.000 0.213 774 L C 2.701 179.653 176.870 0.136 0.000 1.072 774 L CA 1.857 56.763 54.840 0.111 0.000 0.755 774 L CB -0.925 41.189 42.059 0.090 0.000 0.889 774 L HN 0.386 nan 8.230 nan 0.000 0.432 775 R N 0.139 120.702 120.500 0.106 0.000 2.103 775 R HA -0.128 4.206 4.340 -0.009 0.000 0.242 775 R C 2.313 178.675 176.300 0.104 0.000 1.142 775 R CA 1.613 57.778 56.100 0.107 0.000 0.960 775 R CB -1.042 29.304 30.300 0.076 0.000 0.858 775 R HN 0.480 nan 8.270 nan 0.000 0.439 776 S N 1.258 117.004 115.700 0.076 0.000 2.359 776 S HA -0.111 4.353 4.470 -0.009 0.000 0.224 776 S C 2.146 176.775 174.600 0.048 0.000 1.035 776 S CA 1.249 59.481 58.200 0.053 0.000 1.018 776 S CB -0.303 62.918 63.200 0.035 0.000 0.876 776 S HN 0.225 nan 8.310 nan 0.000 0.448 777 I N -0.006 120.598 120.570 0.057 0.000 2.118 777 I HA -0.228 3.936 4.170 -0.009 0.000 0.241 777 I C 1.973 178.054 176.117 -0.061 0.000 1.070 777 I CA 1.729 63.025 61.300 -0.007 0.000 1.327 777 I CB -0.334 37.681 38.000 0.025 0.000 1.034 777 I HN 0.202 nan 8.210 nan 0.000 0.405 778 F N -0.197 119.762 119.950 0.015 0.000 2.446 778 F HA 0.260 4.781 4.527 -0.009 0.000 0.292 778 F C 1.235 177.044 175.800 0.016 0.000 1.096 778 F CA 0.641 58.650 58.000 0.015 0.000 1.438 778 F CB 0.549 39.559 39.000 0.018 0.000 1.107 778 F HN 0.016 nan 8.300 nan 0.000 0.546 779 G N 0.314 109.231 108.800 0.196 0.000 3.747 779 G HA2 0.146 4.100 3.960 -0.009 0.000 0.289 779 G HA3 0.146 4.100 3.960 -0.009 0.000 0.289 779 G C 0.347 175.298 174.900 0.084 0.000 3.650 779 G CA -0.182 44.987 45.100 0.115 0.000 0.560 779 G HN 0.262 nan 8.290 nan 0.000 0.267 780 E N 1.301 121.538 120.200 0.062 0.000 2.068 780 E HA -0.222 4.122 4.350 -0.009 0.000 0.207 780 E C 0.557 177.180 176.600 0.038 0.000 1.032 780 E CA 0.886 57.315 56.400 0.048 0.000 0.839 780 E CB -0.241 29.479 29.700 0.034 0.000 0.758 780 E HN 0.426 nan 8.360 nan 0.000 0.457 781 K N 1.513 121.931 120.400 0.030 0.000 2.382 781 K HA 0.362 4.677 4.320 -0.009 0.000 0.286 781 K C -0.639 175.969 176.600 0.014 0.000 1.062 781 K CA 0.259 56.558 56.287 0.020 0.000 1.000 781 K CB 1.132 33.642 32.500 0.016 0.000 0.954 781 K HN 0.355 nan 8.250 nan 0.000 0.470 782 A N 2.993 125.812 122.820 -0.002 0.000 2.587 782 A HA 0.441 4.755 4.320 -0.009 0.000 0.293 782 A C -1.043 176.506 177.584 -0.059 0.000 1.087 782 A CA -0.914 51.105 52.037 -0.030 0.000 0.692 782 A CB 1.218 20.203 19.000 -0.025 0.000 1.291 782 A HN 0.734 nan 8.150 nan 0.000 0.407 783 R N 1.297 121.735 120.500 -0.102 0.000 2.309 783 R HA 0.141 4.476 4.340 -0.009 0.000 0.331 783 R C -1.168 175.038 176.300 -0.157 0.000 1.116 783 R CA -0.271 55.756 56.100 -0.123 0.000 0.970 783 R CB -0.071 30.142 30.300 -0.145 0.000 1.024 783 R HN 0.579 nan 8.270 nan 0.000 0.472 784 D N 3.937 124.270 120.400 -0.111 0.000 2.600 784 D HA 0.088 4.723 4.640 -0.009 0.000 0.226 784 D C -0.644 175.537 176.300 -0.199 0.000 1.119 784 D CA 0.343 54.287 54.000 -0.094 0.000 1.051 784 D CB 0.477 41.277 40.800 0.001 0.000 1.106 784 D HN 0.114 nan 8.370 nan 0.000 0.491 785 V N 1.074 120.820 119.914 -0.279 0.000 3.087 785 V HA 0.273 4.387 4.120 -0.009 0.000 0.306 785 V C -0.601 175.348 176.094 -0.242 0.000 1.187 785 V CA -0.933 61.116 62.300 -0.418 0.000 0.999 785 V CB 3.027 34.507 31.823 -0.572 0.000 1.049 785 V HN 0.045 nan 8.190 nan 0.000 0.431 786 K N 1.781 122.068 120.400 -0.188 0.000 2.098 786 K HA 0.367 4.681 4.320 -0.009 0.000 0.261 786 K C -0.984 175.560 176.600 -0.094 0.000 0.987 786 K CA -0.581 55.647 56.287 -0.099 0.000 0.916 786 K CB 1.031 33.506 32.500 -0.042 0.000 1.039 786 K HN 0.683 nan 8.250 nan 0.000 0.455 787 D N 1.951 122.316 120.400 -0.059 0.000 2.494 787 D HA 0.027 4.661 4.640 -0.009 0.000 0.217 787 D C -0.763 175.518 176.300 -0.031 0.000 1.153 787 D CA -0.219 53.753 54.000 -0.047 0.000 0.954 787 D CB 0.063 40.847 40.800 -0.026 0.000 1.034 787 D HN 0.415 nan 8.370 nan 0.000 0.518 788 T N 0.096 114.631 114.554 -0.032 0.000 3.375 788 T HA 0.450 4.795 4.350 -0.009 0.000 0.363 788 T C -0.021 174.667 174.700 -0.020 0.000 1.837 788 T CA -0.801 61.286 62.100 -0.020 0.000 1.445 788 T CB 0.022 68.883 68.868 -0.011 0.000 1.089 788 T HN 0.015 nan 8.240 nan 0.000 0.722 789 S N 2.462 118.148 115.700 -0.024 0.000 2.475 789 S HA 0.496 4.960 4.470 -0.009 0.000 0.298 789 S C -0.067 174.520 174.600 -0.022 0.000 1.119 789 S CA -0.905 57.280 58.200 -0.024 0.000 1.085 789 S CB 1.194 64.376 63.200 -0.029 0.000 1.028 789 S HN 0.629 nan 8.310 nan 0.000 0.489 790 L N 5.049 126.262 121.223 -0.017 0.000 2.678 790 L HA 0.135 4.469 4.340 -0.009 0.000 0.276 790 L C 0.206 177.059 176.870 -0.028 0.000 1.142 790 L CA 0.685 55.519 54.840 -0.010 0.000 0.961 790 L CB -0.666 41.396 42.059 0.004 0.000 1.291 790 L HN 0.492 nan 8.230 nan 0.000 0.476 791 R N 3.375 123.856 120.500 -0.031 0.000 2.596 791 R HA 0.466 4.800 4.340 -0.009 0.000 0.267 791 R C -0.717 175.550 176.300 -0.054 0.000 1.026 791 R CA -1.030 55.039 56.100 -0.053 0.000 1.087 791 R CB 0.768 31.037 30.300 -0.052 0.000 1.132 791 R HN 0.314 nan 8.270 nan 0.000 0.531 792 V N 4.107 123.966 119.914 -0.091 0.000 2.521 792 V HA 0.088 4.203 4.120 -0.009 0.000 0.286 792 V C -1.822 174.252 176.094 -0.032 0.000 1.034 792 V CA -1.159 61.085 62.300 -0.094 0.000 1.045 792 V CB 0.549 32.286 31.823 -0.142 0.000 0.974 792 V HN 0.586 nan 8.190 nan 0.000 0.480 793 P HA 0.249 nan 4.420 nan 0.000 0.272 793 P C -2.619 174.623 177.300 -0.097 0.000 1.223 793 P CA -1.405 61.660 63.100 -0.059 0.000 0.784 793 P CB -0.200 31.486 31.700 -0.024 0.000 0.923 794 P HA 0.244 nan 4.420 nan 0.000 0.268 794 P C 0.752 178.044 177.300 -0.014 0.000 1.208 794 P CA 0.894 63.906 63.100 -0.147 0.000 0.777 794 P CB 0.172 31.695 31.700 -0.294 0.000 0.875 795 G N 0.926 109.773 108.800 0.077 0.000 2.436 795 G HA2 -0.023 3.932 3.960 -0.009 0.000 0.205 795 G HA3 -0.023 3.932 3.960 -0.009 0.000 0.205 795 G C -1.317 173.622 174.900 0.065 0.000 1.188 795 G CA -0.466 44.689 45.100 0.092 0.000 1.267 795 G HN 0.514 nan 8.290 nan 0.000 0.536 796 E N -0.369 119.878 120.200 0.079 0.000 2.407 796 E HA 0.587 4.931 4.350 -0.009 0.000 0.279 796 E C -0.106 176.555 176.600 0.101 0.000 1.012 796 E CA -0.006 56.434 56.400 0.067 0.000 0.800 796 E CB 1.381 31.113 29.700 0.053 0.000 1.276 796 E HN 1.190 nan 8.360 nan 0.000 0.452 797 G N -0.844 107.979 108.800 0.039 0.000 2.644 797 G HA2 0.728 4.682 3.960 -0.009 0.000 0.307 797 G HA3 0.728 4.682 3.960 -0.009 0.000 0.307 797 G C -0.186 174.723 174.900 0.016 0.000 1.250 797 G CA 0.037 45.138 45.100 0.001 0.000 0.996 797 G HN 0.439 nan 8.290 nan 0.000 0.489 798 G N -1.061 107.743 108.800 0.008 0.000 3.392 798 G HA2 0.553 4.508 3.960 -0.009 0.000 0.185 798 G HA3 0.553 4.508 3.960 -0.009 0.000 0.185 798 G C -0.443 174.449 174.900 -0.013 0.000 1.206 798 G CA -0.189 44.922 45.100 0.018 0.000 0.776 798 G HN 1.114 nan 8.290 nan 0.000 0.697 799 I N 0.400 120.966 120.570 -0.007 0.000 2.436 799 I HA 0.603 4.768 4.170 -0.009 0.000 0.289 799 I C -0.233 175.870 176.117 -0.024 0.000 1.010 799 I CA -0.817 60.467 61.300 -0.027 0.000 1.098 799 I CB 1.362 39.344 38.000 -0.030 0.000 1.266 799 I HN 0.135 nan 8.210 nan 0.000 0.434 800 V N 6.498 126.391 119.914 -0.035 0.000 2.681 800 V HA -0.071 4.043 4.120 -0.009 0.000 0.306 800 V C 1.507 177.591 176.094 -0.017 0.000 1.077 800 V CA 0.782 63.071 62.300 -0.019 0.000 1.224 800 V CB 1.009 32.815 31.823 -0.030 0.000 0.879 800 V HN 0.815 nan 8.190 nan 0.000 0.494 801 V N 1.991 121.910 119.914 0.007 0.000 3.473 801 V HA 0.492 4.606 4.120 -0.009 0.000 0.253 801 V C 0.573 176.641 176.094 -0.043 0.000 1.340 801 V CA 0.311 62.588 62.300 -0.038 0.000 1.103 801 V CB 0.190 31.979 31.823 -0.057 0.000 0.881 801 V HN 0.817 nan 8.190 nan 0.000 0.451 802 R N 0.621 121.130 120.500 0.016 0.000 2.629 802 R HA 0.590 4.924 4.340 -0.009 0.000 0.266 802 R C -1.386 174.971 176.300 0.095 0.000 1.051 802 R CA 0.485 56.570 56.100 -0.025 0.000 0.895 802 R CB 2.166 32.356 30.300 -0.183 0.000 1.246 802 R HN 0.508 nan 8.270 nan 0.000 0.459 803 T N -0.549 114.036 114.554 0.052 0.000 2.909 803 T HA 0.687 5.031 4.350 -0.009 0.000 0.299 803 T C -1.042 173.703 174.700 0.075 0.000 1.073 803 T CA -0.672 61.497 62.100 0.115 0.000 0.999 803 T CB 1.920 70.827 68.868 0.064 0.000 1.098 803 T HN 0.196 nan 8.240 nan 0.000 0.477 804 V N 1.864 121.850 119.914 0.120 0.000 2.789 804 V HA 0.750 4.864 4.120 -0.009 0.000 0.311 804 V C -0.301 175.831 176.094 0.064 0.000 1.073 804 V CA -0.969 61.379 62.300 0.079 0.000 0.921 804 V CB 2.014 33.901 31.823 0.108 0.000 1.009 804 V HN 1.030 nan 8.190 nan 0.000 0.426 805 R N 3.992 124.515 120.500 0.038 0.000 2.539 805 R HA 0.509 4.844 4.340 -0.009 0.000 0.295 805 R C -1.495 174.818 176.300 0.022 0.000 1.138 805 R CA -0.561 55.556 56.100 0.029 0.000 0.936 805 R CB 1.207 31.520 30.300 0.021 0.000 1.182 805 R HN 0.750 nan 8.270 nan 0.000 0.459 806 L N 6.468 127.704 121.223 0.022 0.000 2.512 806 L HA 0.346 4.680 4.340 -0.009 0.000 0.247 806 L C 0.769 177.648 176.870 0.016 0.000 1.204 806 L CA -0.676 54.174 54.840 0.017 0.000 1.153 806 L CB -0.224 41.844 42.059 0.015 0.000 1.415 806 L HN 0.478 nan 8.230 nan 0.000 0.406 807 R N 0.522 121.032 120.500 0.015 0.000 2.783 807 R HA 0.366 4.700 4.340 -0.009 0.000 0.276 807 R C 0.170 176.479 176.300 0.015 0.000 1.223 807 R CA -0.743 55.366 56.100 0.015 0.000 1.173 807 R CB 0.318 30.626 30.300 0.014 0.000 1.157 807 R HN 0.249 nan 8.270 nan 0.000 0.600 808 R N -0.674 119.835 120.500 0.015 0.000 2.811 808 R HA 0.158 4.492 4.340 -0.009 0.000 0.265 808 R C 0.386 176.696 176.300 0.016 0.000 1.026 808 R CA 1.139 57.248 56.100 0.016 0.000 1.142 808 R CB -0.042 30.267 30.300 0.016 0.000 1.027 808 R HN 0.942 nan 8.270 nan 0.000 0.465 809 G N 2.166 110.977 108.800 0.017 0.000 2.324 809 G HA2 -0.212 3.742 3.960 -0.009 0.000 0.292 809 G HA3 -0.212 3.742 3.960 -0.009 0.000 0.292 809 G C -0.602 174.310 174.900 0.021 0.000 1.079 809 G CA -0.208 44.904 45.100 0.019 0.000 1.026 809 G HN 0.655 nan 8.290 nan 0.000 0.506 810 D N 0.093 120.505 120.400 0.021 0.000 2.425 810 D HA 0.212 4.846 4.640 -0.009 0.000 0.247 810 D C -0.184 176.134 176.300 0.030 0.000 1.147 810 D CA -0.560 53.453 54.000 0.021 0.000 0.879 810 D CB 1.066 41.877 40.800 0.017 0.000 1.179 810 D HN 0.190 nan 8.370 nan 0.000 0.456 811 P HA -0.003 nan 4.420 nan 0.000 0.214 811 P C 0.725 178.069 177.300 0.074 0.000 1.163 811 P CA 0.899 64.027 63.100 0.047 0.000 0.883 811 P CB 0.383 32.106 31.700 0.039 0.000 0.788 812 G N -1.420 107.416 108.800 0.058 0.000 5.473 812 G HA2 0.313 4.267 3.960 -0.009 0.000 0.206 812 G HA3 0.313 4.267 3.960 -0.009 0.000 0.206 812 G C -0.600 174.283 174.900 -0.028 0.000 0.904 812 G CA -0.022 45.133 45.100 0.091 0.000 0.697 812 G HN 0.362 nan 8.290 nan 0.000 0.279 813 V N -1.474 118.425 119.914 -0.025 0.000 2.850 813 V HA 0.922 5.036 4.120 -0.009 0.000 0.315 813 V C -0.379 175.699 176.094 -0.027 0.000 1.064 813 V CA -1.125 61.142 62.300 -0.055 0.000 0.979 813 V CB 1.857 33.657 31.823 -0.037 0.000 1.039 813 V HN 0.411 nan 8.190 nan 0.000 0.452 814 E N 3.469 123.647 120.200 -0.036 0.000 2.063 814 E HA 0.567 4.912 4.350 -0.009 0.000 0.265 814 E C -1.133 175.463 176.600 -0.007 0.000 0.919 814 E CA -0.667 55.724 56.400 -0.015 0.000 0.756 814 E CB 1.677 31.365 29.700 -0.020 0.000 1.120 814 E HN 0.605 nan 8.360 nan 0.000 0.414 815 L N 3.192 124.416 121.223 0.002 0.000 2.307 815 L HA 0.308 4.642 4.340 -0.009 0.000 0.282 815 L C 0.028 176.904 176.870 0.010 0.000 1.051 815 L CA -0.285 54.559 54.840 0.007 0.000 0.804 815 L CB 1.053 43.118 42.059 0.010 0.000 1.197 815 L HN 0.419 nan 8.230 nan 0.000 0.431 816 K N 4.203 124.610 120.400 0.012 0.000 2.149 816 K HA 0.288 4.602 4.320 -0.009 0.000 0.245 816 K C -2.289 174.320 176.600 0.015 0.000 1.024 816 K CA -1.462 54.833 56.287 0.014 0.000 0.899 816 K CB -0.123 32.386 32.500 0.016 0.000 1.038 816 K HN 0.387 nan 8.250 nan 0.000 0.496 817 P HA -0.023 nan 4.420 nan 0.000 0.272 817 P C 0.579 177.888 177.300 0.015 0.000 1.223 817 P CA 0.587 63.696 63.100 0.015 0.000 0.784 817 P CB 0.630 32.339 31.700 0.015 0.000 0.923 818 G N 0.860 109.668 108.800 0.015 0.000 2.435 818 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.245 818 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.245 818 G C 0.158 175.068 174.900 0.018 0.000 1.073 818 G CA 0.222 45.331 45.100 0.016 0.000 0.638 818 G HN 0.547 nan 8.290 nan 0.000 0.521 819 V N 2.584 122.509 119.914 0.017 0.000 2.420 819 V HA 0.196 4.310 4.120 -0.009 0.000 0.274 819 V C 1.812 177.917 176.094 0.018 0.000 1.003 819 V CA 1.230 63.541 62.300 0.018 0.000 1.092 819 V CB 0.884 32.717 31.823 0.017 0.000 1.002 819 V HN 0.511 nan 8.190 nan 0.000 0.473 820 R N 3.267 123.780 120.500 0.021 0.000 2.093 820 R HA 0.037 4.371 4.340 -0.009 0.000 0.224 820 R C 0.740 177.052 176.300 0.020 0.000 1.101 820 R CA 1.225 57.337 56.100 0.021 0.000 0.979 820 R CB 0.419 30.735 30.300 0.025 0.000 0.877 820 R HN 0.907 nan 8.270 nan 0.000 0.441 821 E N -0.408 119.804 120.200 0.020 0.000 2.431 821 E HA 0.102 4.446 4.350 -0.009 0.000 0.287 821 E C -1.442 175.170 176.600 0.019 0.000 1.032 821 E CA -0.657 55.754 56.400 0.019 0.000 0.839 821 E CB 1.391 31.102 29.700 0.019 0.000 1.218 821 E HN -0.013 nan 8.360 nan 0.000 0.424 822 V N 0.015 119.941 119.914 0.020 0.000 2.834 822 V HA 0.862 4.977 4.120 -0.009 0.000 0.313 822 V C -0.560 175.550 176.094 0.028 0.000 1.060 822 V CA -0.553 61.761 62.300 0.023 0.000 0.989 822 V CB 1.670 33.508 31.823 0.024 0.000 1.041 822 V HN 0.466 nan 8.190 nan 0.000 0.459 823 V N 3.494 123.426 119.914 0.031 0.000 2.509 823 V HA 0.511 4.625 4.120 -0.009 0.000 0.289 823 V C -0.077 176.045 176.094 0.047 0.000 1.026 823 V CA -0.549 61.774 62.300 0.038 0.000 0.872 823 V CB 1.264 33.103 31.823 0.026 0.000 1.017 823 V HN 1.002 nan 8.190 nan 0.000 0.436 824 R N 3.010 123.560 120.500 0.083 0.000 2.428 824 R HA 0.845 5.180 4.340 -0.009 0.000 0.294 824 R C -1.150 175.232 176.300 0.137 0.000 1.000 824 R CA -0.708 55.449 56.100 0.095 0.000 0.960 824 R CB 2.215 32.653 30.300 0.229 0.000 1.076 824 R HN 0.444 nan 8.270 nan 0.000 0.475 825 V N 3.565 123.504 119.914 0.042 0.000 2.524 825 V HA 0.243 4.357 4.120 -0.009 0.000 0.297 825 V C -1.298 174.827 176.094 0.052 0.000 1.035 825 V CA -0.959 61.406 62.300 0.108 0.000 0.867 825 V CB 1.082 32.922 31.823 0.028 0.000 1.004 825 V HN 0.591 nan 8.190 nan 0.000 0.426 826 Y N 3.455 123.789 120.300 0.057 0.000 2.313 826 Y HA 0.641 5.186 4.550 -0.009 0.000 0.332 826 Y C 0.243 176.182 175.900 0.065 0.000 1.071 826 Y CA -0.815 57.333 58.100 0.080 0.000 1.169 826 Y CB 1.669 40.149 38.460 0.032 0.000 1.192 826 Y HN 0.392 nan 8.280 nan 0.000 0.487 827 V N 2.888 122.928 119.914 0.210 0.000 2.540 827 V HA 0.867 4.981 4.120 -0.009 0.000 0.302 827 V C -0.249 175.946 176.094 0.169 0.000 1.035 827 V CA -1.080 61.305 62.300 0.141 0.000 0.873 827 V CB 1.452 33.316 31.823 0.068 0.000 0.992 827 V HN 0.862 nan 8.190 nan 0.000 0.428 828 A N 4.430 127.316 122.820 0.111 0.000 2.365 828 A HA 0.906 5.220 4.320 -0.009 0.000 0.318 828 A C -0.671 176.974 177.584 0.103 0.000 1.091 828 A CA -0.643 51.464 52.037 0.116 0.000 0.763 828 A CB 1.739 20.783 19.000 0.074 0.000 1.248 828 A HN 0.977 nan 8.150 nan 0.000 0.442 829 Q N 1.286 121.168 119.800 0.137 0.000 2.345 829 Q HA 0.503 4.837 4.340 -0.009 0.000 0.275 829 Q C -1.355 174.707 176.000 0.104 0.000 1.063 829 Q CA -0.833 55.032 55.803 0.104 0.000 0.819 829 Q CB 1.746 30.547 28.738 0.105 0.000 1.356 829 Q HN 0.527 nan 8.270 nan 0.000 0.418 830 K N 2.659 123.101 120.400 0.070 0.000 2.292 830 K HA 0.202 4.516 4.320 -0.009 0.000 0.290 830 K C -0.645 175.984 176.600 0.048 0.000 1.083 830 K CA -0.296 56.030 56.287 0.064 0.000 0.918 830 K CB 0.516 33.045 32.500 0.048 0.000 1.089 830 K HN 0.519 nan 8.250 nan 0.000 0.473 831 R N 4.198 124.725 120.500 0.045 0.000 2.235 831 R HA 0.133 4.467 4.340 -0.009 0.000 0.338 831 R C -0.164 176.140 176.300 0.008 0.000 1.087 831 R CA -0.253 55.849 56.100 0.004 0.000 0.948 831 R CB 0.713 30.987 30.300 -0.044 0.000 1.099 831 R HN 0.345 nan 8.270 nan 0.000 0.483 832 K N 1.613 122.021 120.400 0.012 0.000 2.154 832 K HA 0.135 4.449 4.320 -0.009 0.000 0.264 832 K C 0.162 176.771 176.600 0.015 0.000 1.008 832 K CA -0.792 55.514 56.287 0.031 0.000 0.937 832 K CB 0.718 33.238 32.500 0.033 0.000 1.002 832 K HN 0.212 nan 8.250 nan 0.000 0.469 833 L N 3.590 124.844 121.223 0.051 0.000 2.615 833 L HA -0.076 4.258 4.340 -0.009 0.000 0.271 833 L C -0.487 176.375 176.870 -0.014 0.000 1.183 833 L CA 1.137 55.987 54.840 0.017 0.000 0.933 833 L CB -0.352 41.745 42.059 0.063 0.000 1.199 833 L HN 0.559 nan 8.230 nan 0.000 0.487 834 Q N 3.390 123.167 119.800 -0.038 0.000 2.495 834 Q HA 0.528 4.862 4.340 -0.009 0.000 0.287 834 Q C -0.757 175.224 176.000 -0.033 0.000 1.078 834 Q CA -1.221 54.563 55.803 -0.031 0.000 0.793 834 Q CB 1.595 30.322 28.738 -0.019 0.000 1.459 834 Q HN 0.463 nan 8.270 nan 0.000 0.422 835 V N 1.022 120.917 119.914 -0.031 0.000 2.720 835 V HA 0.254 4.368 4.120 -0.009 0.000 0.307 835 V C 1.092 177.185 176.094 -0.002 0.000 1.071 835 V CA 2.551 64.835 62.300 -0.028 0.000 1.199 835 V CB -0.044 31.761 31.823 -0.030 0.000 0.900 835 V HN 1.162 nan 8.190 nan 0.000 0.494 836 G N 4.068 112.870 108.800 0.003 0.000 2.254 836 G HA2 -0.223 3.731 3.960 -0.009 0.000 0.225 836 G HA3 -0.223 3.731 3.960 -0.009 0.000 0.225 836 G C 0.163 175.106 174.900 0.072 0.000 1.003 836 G CA 0.334 45.451 45.100 0.029 0.000 0.622 836 G HN 1.082 nan 8.290 nan 0.000 0.507 837 D N 1.636 122.069 120.400 0.054 0.000 2.357 837 D HA 0.500 5.134 4.640 -0.009 0.000 0.242 837 D C 0.579 176.890 176.300 0.018 0.000 1.153 837 D CA 0.171 54.208 54.000 0.063 0.000 0.918 837 D CB 0.527 41.289 40.800 -0.063 0.000 1.181 837 D HN 0.632 nan 8.370 nan 0.000 0.435 838 K N 2.306 122.722 120.400 0.026 0.000 2.413 838 K HA 0.548 4.863 4.320 -0.009 0.000 0.257 838 K C -0.823 175.743 176.600 -0.057 0.000 0.946 838 K CA -0.842 55.437 56.287 -0.014 0.000 0.823 838 K CB 1.091 33.600 32.500 0.014 0.000 1.109 838 K HN 0.323 nan 8.250 nan 0.000 0.427 839 L N 1.081 122.242 121.223 -0.105 0.000 2.333 839 L HA 0.946 5.280 4.340 -0.009 0.000 0.269 839 L C -0.590 176.214 176.870 -0.110 0.000 1.010 839 L CA -1.238 53.510 54.840 -0.153 0.000 0.818 839 L CB 2.011 43.897 42.059 -0.288 0.000 1.306 839 L HN 0.883 nan 8.230 nan 0.000 0.430 840 A N 1.413 124.168 122.820 -0.108 0.000 2.566 840 A HA 0.482 4.796 4.320 -0.009 0.000 0.297 840 A C -1.165 176.358 177.584 -0.102 0.000 1.059 840 A CA -0.854 51.136 52.037 -0.078 0.000 0.691 840 A CB 1.391 20.368 19.000 -0.039 0.000 1.282 840 A HN 0.890 nan 8.150 nan 0.000 0.401 841 N N 0.850 119.498 118.700 -0.086 0.000 2.463 841 N HA 0.251 4.985 4.740 -0.009 0.000 0.270 841 N C 0.001 175.441 175.510 -0.117 0.000 1.205 841 N CA -0.739 52.240 53.050 -0.118 0.000 0.974 841 N CB 1.050 39.474 38.487 -0.106 0.000 1.197 841 N HN 0.639 nan 8.380 nan 0.000 0.504 842 R N -0.400 119.998 120.500 -0.169 0.000 2.395 842 R HA -0.043 4.291 4.340 -0.009 0.000 0.202 842 R C 0.153 176.411 176.300 -0.069 0.000 1.088 842 R CA 0.574 56.605 56.100 -0.114 0.000 1.090 842 R CB -0.366 29.898 30.300 -0.059 0.000 0.876 842 R HN 0.575 nan 8.270 nan 0.000 0.477 843 H N -1.779 117.329 119.070 0.064 0.000 2.755 843 H HA 0.257 4.807 4.556 -0.010 0.000 0.273 843 H C 1.411 176.760 175.328 0.035 0.000 1.055 843 H CA 0.406 56.487 56.048 0.055 0.000 1.191 843 H CB 1.400 31.208 29.762 0.076 0.000 1.536 843 H HN 0.381 nan 8.280 nan 0.000 0.529 844 G N 1.290 110.159 108.800 0.115 0.000 2.184 844 G HA2 -0.279 3.675 3.960 -0.009 0.000 0.206 844 G HA3 -0.279 3.675 3.960 -0.009 0.000 0.206 844 G C 0.319 175.250 174.900 0.051 0.000 0.995 844 G CA -0.049 45.092 45.100 0.069 0.000 0.651 844 G HN 0.377 nan 8.290 nan 0.000 0.511 845 N N 1.016 119.750 118.700 0.057 0.000 2.406 845 N HA 0.198 4.932 4.740 -0.009 0.000 0.269 845 N C -0.037 175.476 175.510 0.006 0.000 1.210 845 N CA 0.371 53.440 53.050 0.032 0.000 0.966 845 N CB 0.301 38.809 38.487 0.036 0.000 1.293 845 N HN 0.578 nan 8.380 nan 0.000 0.491 846 K N 2.756 123.159 120.400 0.005 0.000 2.347 846 K HA 0.495 4.810 4.320 -0.009 0.000 0.262 846 K C -0.357 176.239 176.600 -0.007 0.000 1.052 846 K CA -0.740 55.544 56.287 -0.005 0.000 0.946 846 K CB 0.370 32.872 32.500 0.003 0.000 1.220 846 K HN 0.514 nan 8.250 nan 0.000 0.450 847 G N 1.626 110.415 108.800 -0.019 0.000 2.714 847 G HA2 0.566 4.520 3.960 -0.009 0.000 0.292 847 G HA3 0.566 4.520 3.960 -0.009 0.000 0.292 847 G C -1.432 173.455 174.900 -0.022 0.000 1.308 847 G CA -0.588 44.504 45.100 -0.013 0.000 0.964 847 G HN 0.374 nan 8.290 nan 0.000 0.484 848 V N -0.048 119.861 119.914 -0.009 0.000 2.628 848 V HA 0.360 4.475 4.120 -0.009 0.000 0.306 848 V C 0.100 176.182 176.094 -0.021 0.000 1.045 848 V CA -0.676 61.617 62.300 -0.013 0.000 0.905 848 V CB 1.982 33.807 31.823 0.003 0.000 0.997 848 V HN 0.546 nan 8.190 nan 0.000 0.436 849 V N 4.552 124.441 119.914 -0.041 0.000 2.450 849 V HA 0.197 4.312 4.120 -0.009 0.000 0.281 849 V C 1.104 177.175 176.094 -0.037 0.000 1.019 849 V CA 0.941 63.206 62.300 -0.058 0.000 1.062 849 V CB 0.491 32.265 31.823 -0.081 0.000 0.979 849 V HN 1.089 nan 8.190 nan 0.000 0.477 850 A N 4.924 127.725 122.820 -0.031 0.000 2.063 850 A HA 0.340 4.655 4.320 -0.009 0.000 0.211 850 A C 0.952 178.489 177.584 -0.078 0.000 1.177 850 A CA 0.386 52.421 52.037 -0.003 0.000 0.759 850 A CB 0.250 19.301 19.000 0.085 0.000 0.857 850 A HN 0.642 nan 8.150 nan 0.000 0.468 851 K N 0.092 120.385 120.400 -0.178 0.000 2.550 851 K HA 0.471 4.786 4.320 -0.009 0.000 0.252 851 K C -1.791 174.640 176.600 -0.282 0.000 0.943 851 K CA -0.385 55.708 56.287 -0.322 0.000 0.806 851 K CB 1.173 33.223 32.500 -0.750 0.000 1.289 851 K HN -0.011 nan 8.250 nan 0.000 0.435 852 I N 5.565 126.004 120.570 -0.217 0.000 2.291 852 I HA 0.215 4.380 4.170 -0.009 0.000 0.290 852 I C -0.574 175.439 176.117 -0.173 0.000 1.050 852 I CA -0.756 60.444 61.300 -0.166 0.000 1.245 852 I CB 0.587 38.525 38.000 -0.103 0.000 1.405 852 I HN 0.558 nan 8.210 nan 0.000 0.478 853 L N 10.061 131.170 121.223 -0.191 0.000 2.375 853 L HA 0.491 4.825 4.340 -0.009 0.000 0.271 853 L C -2.138 174.685 176.870 -0.078 0.000 1.107 853 L CA -2.132 52.618 54.840 -0.150 0.000 0.806 853 L CB 0.694 42.635 42.059 -0.197 0.000 1.146 853 L HN 0.270 nan 8.230 nan 0.000 0.447 854 P HA 0.036 nan 4.420 nan 0.000 0.276 854 P C 0.917 178.218 177.300 0.002 0.000 1.243 854 P CA -0.126 62.967 63.100 -0.013 0.000 0.768 854 P CB 0.819 32.522 31.700 0.005 0.000 0.856 855 V N 3.912 123.825 119.914 -0.002 0.000 2.636 855 V HA -0.312 3.803 4.120 -0.009 0.000 0.258 855 V C 1.683 177.801 176.094 0.040 0.000 1.092 855 V CA 2.045 64.351 62.300 0.011 0.000 1.110 855 V CB -0.962 30.862 31.823 0.001 0.000 0.685 855 V HN 0.577 nan 8.190 nan 0.000 0.481 856 E N 0.838 121.061 120.200 0.037 0.000 2.086 856 E HA -0.254 4.090 4.350 -0.009 0.000 0.200 856 E C 1.428 178.082 176.600 0.089 0.000 1.012 856 E CA 1.739 58.171 56.400 0.052 0.000 0.812 856 E CB -0.230 29.495 29.700 0.043 0.000 0.743 856 E HN 0.924 nan 8.360 nan 0.000 0.453 857 D N -0.588 119.871 120.400 0.098 0.000 2.520 857 D HA 0.054 4.689 4.640 -0.009 0.000 0.223 857 D C 0.829 177.235 176.300 0.176 0.000 1.186 857 D CA -0.194 53.886 54.000 0.134 0.000 0.821 857 D CB -0.388 40.488 40.800 0.127 0.000 1.072 857 D HN 0.204 nan 8.370 nan 0.000 0.518 858 M N -0.837 118.856 119.600 0.156 0.000 2.036 858 M HA 0.479 4.954 4.480 -0.009 0.000 0.276 858 M C -2.244 174.165 176.300 0.183 0.000 1.262 858 M CA -1.557 53.870 55.300 0.211 0.000 1.097 858 M CB -0.540 32.090 32.600 0.050 0.000 1.386 858 M HN -0.422 nan 8.290 nan 0.000 0.482 859 P HA -0.058 nan 4.420 nan 0.000 0.260 859 P C -1.370 176.002 177.300 0.120 0.000 1.172 859 P CA 0.764 63.936 63.100 0.120 0.000 0.760 859 P CB -0.189 31.605 31.700 0.157 0.000 0.773 860 H N 2.359 121.509 119.070 0.132 0.000 2.572 860 H HA 0.511 5.062 4.556 -0.008 0.000 0.359 860 H C -0.636 174.778 175.328 0.143 0.000 1.134 860 H CA -1.323 54.781 56.048 0.093 0.000 1.187 860 H CB 1.135 30.922 29.762 0.042 0.000 1.597 860 H HN 0.242 nan 8.280 nan 0.000 0.524 861 L N 2.938 124.348 121.223 0.312 0.000 2.476 861 L HA 0.140 4.474 4.340 -0.009 0.000 0.255 861 L C -1.422 175.636 176.870 0.314 0.000 1.218 861 L CA -1.799 53.208 54.840 0.278 0.000 0.819 861 L CB 0.889 43.031 42.059 0.138 0.000 1.119 861 L HN 0.503 nan 8.230 nan 0.000 0.485 862 P HA -0.148 nan 4.420 nan 0.000 0.216 862 P C -1.011 176.380 177.300 0.153 0.000 1.153 862 P CA 1.222 64.548 63.100 0.376 0.000 0.858 862 P CB -0.034 32.047 31.700 0.634 0.000 0.789 863 D N -2.315 118.234 120.400 0.248 0.000 2.210 863 D HA 0.251 4.886 4.640 -0.009 0.000 0.249 863 D C 1.644 177.976 176.300 0.053 0.000 1.062 863 D CA -0.521 53.571 54.000 0.154 0.000 0.891 863 D CB 0.597 41.559 40.800 0.271 0.000 1.186 863 D HN -0.058 nan 8.370 nan 0.000 0.432 864 G N 2.154 110.934 108.800 -0.033 0.000 2.931 864 G HA2 -0.353 3.602 3.960 -0.009 0.000 0.226 864 G HA3 -0.353 3.602 3.960 -0.009 0.000 0.226 864 G C 0.991 175.877 174.900 -0.022 0.000 1.086 864 G CA 1.416 46.467 45.100 -0.082 0.000 0.734 864 G HN 0.729 nan 8.290 nan 0.000 0.650 865 T N 2.548 117.123 114.554 0.036 0.000 2.831 865 T HA 0.358 4.703 4.350 -0.009 0.000 0.291 865 T C -2.118 172.609 174.700 0.045 0.000 0.981 865 T CA -1.133 60.992 62.100 0.041 0.000 1.174 865 T CB 0.901 69.805 68.868 0.059 0.000 0.929 865 T HN 0.054 nan 8.240 nan 0.000 0.532 866 P HA 0.369 nan 4.420 nan 0.000 0.281 866 P C -0.679 176.632 177.300 0.017 0.000 1.264 866 P CA -0.768 62.369 63.100 0.062 0.000 0.824 866 P CB 0.653 32.386 31.700 0.055 0.000 1.092 867 V N -1.418 118.510 119.914 0.023 0.000 2.686 867 V HA 0.307 4.421 4.120 -0.009 0.000 0.295 867 V C 0.484 176.561 176.094 -0.028 0.000 1.057 867 V CA -0.094 62.201 62.300 -0.009 0.000 1.012 867 V CB 0.801 32.630 31.823 0.010 0.000 1.006 867 V HN 0.313 nan 8.190 nan 0.000 0.477 868 D N 1.691 122.066 120.400 -0.042 0.000 2.144 868 D HA 0.076 4.710 4.640 -0.009 0.000 0.207 868 D C 0.555 176.816 176.300 -0.064 0.000 0.970 868 D CA 1.387 55.352 54.000 -0.059 0.000 0.853 868 D CB 0.454 41.217 40.800 -0.061 0.000 1.007 868 D HN 0.514 nan 8.370 nan 0.000 0.469 869 V N 0.828 120.714 119.914 -0.048 0.000 2.680 869 V HA 0.454 4.568 4.120 -0.009 0.000 0.309 869 V C -1.318 174.746 176.094 -0.051 0.000 1.052 869 V CA -0.843 61.418 62.300 -0.066 0.000 0.908 869 V CB 1.848 33.640 31.823 -0.051 0.000 1.001 869 V HN -0.044 nan 8.190 nan 0.000 0.431 870 I N 7.087 127.609 120.570 -0.079 0.000 2.359 870 I HA 0.416 4.580 4.170 -0.009 0.000 0.284 870 I C -0.896 175.219 176.117 -0.002 0.000 1.018 870 I CA -0.558 60.726 61.300 -0.027 0.000 1.173 870 I CB 1.322 39.292 38.000 -0.050 0.000 1.326 870 I HN 0.316 nan 8.210 nan 0.000 0.462 871 L N 5.970 127.204 121.223 0.019 0.000 2.307 871 L HA 0.373 4.708 4.340 -0.009 0.000 0.282 871 L C 0.389 177.281 176.870 0.037 0.000 1.051 871 L CA -0.141 54.711 54.840 0.020 0.000 0.804 871 L CB 0.903 42.970 42.059 0.014 0.000 1.197 871 L HN 0.533 nan 8.230 nan 0.000 0.431 872 N N 4.233 122.953 118.700 0.033 0.000 2.513 872 N HA 0.134 4.868 4.740 -0.009 0.000 0.268 872 N C -1.941 173.573 175.510 0.007 0.000 1.180 872 N CA -1.130 51.937 53.050 0.028 0.000 0.948 872 N CB 1.687 40.181 38.487 0.012 0.000 1.083 872 N HN 0.332 nan 8.380 nan 0.000 0.455 873 P HA 0.042 nan 4.420 nan 0.000 0.218 873 P C 1.316 178.602 177.300 -0.024 0.000 1.152 873 P CA 0.794 63.888 63.100 -0.009 0.000 0.826 873 P CB 0.240 31.936 31.700 -0.007 0.000 0.790 874 L N -1.207 119.993 121.223 -0.039 0.000 2.556 874 L HA -0.088 4.246 4.340 -0.009 0.000 0.230 874 L C 1.875 178.711 176.870 -0.055 0.000 1.163 874 L CA 1.256 56.061 54.840 -0.058 0.000 0.819 874 L CB -1.222 40.779 42.059 -0.096 0.000 0.939 874 L HN 0.091 nan 8.230 nan 0.000 0.452 875 G N -1.411 107.365 108.800 -0.041 0.000 3.434 875 G HA2 0.311 4.265 3.960 -0.009 0.000 0.258 875 G HA3 0.311 4.265 3.960 -0.009 0.000 0.258 875 G C 1.048 175.940 174.900 -0.014 0.000 1.128 875 G CA -0.065 45.017 45.100 -0.030 0.000 0.792 875 G HN 0.169 nan 8.290 nan 0.000 0.539 876 V N 0.679 120.583 119.914 -0.017 0.000 3.219 876 V HA 0.100 4.214 4.120 -0.009 0.000 0.240 876 V C -0.167 175.917 176.094 -0.016 0.000 1.222 876 V CA 0.586 62.879 62.300 -0.012 0.000 1.181 876 V CB 0.669 32.482 31.823 -0.016 0.000 0.941 876 V HN 0.130 nan 8.190 nan 0.000 0.471 877 P HA -0.152 nan 4.420 nan 0.000 0.212 877 P C 2.000 179.291 177.300 -0.015 0.000 1.180 877 P CA 2.201 65.290 63.100 -0.019 0.000 0.902 877 P CB -0.053 31.634 31.700 -0.022 0.000 0.778 878 S N 0.262 115.951 115.700 -0.017 0.000 2.392 878 S HA -0.187 4.277 4.470 -0.009 0.000 0.225 878 S C 1.218 175.814 174.600 -0.006 0.000 1.041 878 S CA 0.996 59.188 58.200 -0.013 0.000 1.100 878 S CB -0.992 62.197 63.200 -0.018 0.000 1.029 878 S HN 0.026 nan 8.310 nan 0.000 0.424 879 R N 0.606 121.103 120.500 -0.005 0.000 2.679 879 R HA 0.293 4.627 4.340 -0.009 0.000 0.268 879 R C -0.302 176.000 176.300 0.003 0.000 1.044 879 R CA 0.647 56.749 56.100 0.003 0.000 1.105 879 R CB 0.169 30.474 30.300 0.009 0.000 0.989 879 R HN 0.472 nan 8.270 nan 0.000 0.447 880 M N 3.608 123.212 119.600 0.007 0.000 2.027 880 M HA 0.238 4.713 4.480 -0.009 0.000 0.329 880 M C -0.812 175.492 176.300 0.006 0.000 0.971 880 M CA 0.010 55.313 55.300 0.005 0.000 0.933 880 M CB 0.629 33.234 32.600 0.008 0.000 1.392 880 M HN 0.686 nan 8.290 nan 0.000 0.394 881 N N 2.883 121.581 118.700 -0.004 0.000 2.751 881 N HA 0.241 4.975 4.740 -0.009 0.000 0.238 881 N C -0.177 175.300 175.510 -0.055 0.000 1.351 881 N CA -0.504 52.533 53.050 -0.022 0.000 0.751 881 N CB 0.944 39.430 38.487 -0.002 0.000 1.342 881 N HN 0.534 nan 8.380 nan 0.000 0.540 882 L N 0.647 121.833 121.223 -0.062 0.000 2.465 882 L HA 0.075 4.409 4.340 -0.009 0.000 0.224 882 L C 2.402 179.138 176.870 -0.223 0.000 1.145 882 L CA 0.933 55.702 54.840 -0.119 0.000 0.834 882 L CB -0.147 41.848 42.059 -0.107 0.000 0.944 882 L HN 0.756 nan 8.230 nan 0.000 0.451 883 G N 0.370 109.032 108.800 -0.229 0.000 2.462 883 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.220 883 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.220 883 G C 1.471 176.280 174.900 -0.151 0.000 1.121 883 G CA 0.799 45.718 45.100 -0.302 0.000 0.758 883 G HN 0.617 nan 8.290 nan 0.000 0.559 884 Q N -0.266 119.488 119.800 -0.076 0.000 2.187 884 Q HA 0.048 4.382 4.340 -0.009 0.000 0.199 884 Q C 2.118 178.184 176.000 0.109 0.000 0.957 884 Q CA 0.730 56.725 55.803 0.320 0.000 0.857 884 Q CB -0.212 28.755 28.738 0.381 0.000 0.929 884 Q HN 0.377 nan 8.270 nan 0.000 0.453 885 I N 0.795 121.318 120.570 -0.079 0.000 2.928 885 I HA -0.079 4.085 4.170 -0.009 0.000 0.266 885 I C 2.079 177.950 176.117 -0.410 0.000 1.234 885 I CA 0.671 61.824 61.300 -0.244 0.000 1.483 885 I CB -0.679 37.166 38.000 -0.257 0.000 1.097 885 I HN 0.326 nan 8.210 nan 0.000 0.455 886 L N 0.238 121.254 121.223 -0.345 0.000 2.209 886 L HA -0.084 4.251 4.340 -0.009 0.000 0.207 886 L C 2.455 179.336 176.870 0.018 0.000 1.094 886 L CA 0.795 55.334 54.840 -0.500 0.000 0.790 886 L CB 0.055 41.263 42.059 -1.419 0.000 0.932 886 L HN 0.249 nan 8.230 nan 0.000 0.447 887 E N -0.546 119.899 120.200 0.408 0.000 2.072 887 E HA -0.174 4.170 4.350 -0.009 0.000 0.190 887 E C 1.815 178.603 176.600 0.314 0.000 0.982 887 E CA 1.590 58.322 56.400 0.553 0.000 0.803 887 E CB 0.204 30.240 29.700 0.559 0.000 0.755 887 E HN 0.350 nan 8.360 nan 0.000 0.453 888 T N -0.091 114.573 114.554 0.183 0.000 2.720 888 T HA -0.174 4.171 4.350 -0.009 0.000 0.268 888 T C 1.453 176.285 174.700 0.220 0.000 1.037 888 T CA 1.627 63.817 62.100 0.150 0.000 1.144 888 T CB -0.510 68.388 68.868 0.050 0.000 0.864 888 T HN 0.393 nan 8.240 nan 0.000 0.444 889 H N 0.137 119.261 119.070 0.091 0.000 2.256 889 H HA 0.007 4.557 4.556 -0.010 0.000 0.299 889 H C 2.323 177.732 175.328 0.135 0.000 1.071 889 H CA 1.020 57.101 56.048 0.055 0.000 1.280 889 H CB -0.256 29.502 29.762 -0.008 0.000 1.370 889 H HN 0.075 nan 8.280 nan 0.000 0.490 890 L N 1.236 122.649 121.223 0.315 0.000 2.189 890 L HA -0.115 4.219 4.340 -0.009 0.000 0.214 890 L C 2.361 179.485 176.870 0.424 0.000 1.097 890 L CA 1.804 56.816 54.840 0.288 0.000 0.764 890 L CB -0.910 41.318 42.059 0.282 0.000 0.900 890 L HN 0.311 nan 8.230 nan 0.000 0.436 891 G N -0.743 108.290 108.800 0.388 0.000 2.402 891 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.216 891 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.216 891 G C 1.534 176.675 174.900 0.400 0.000 1.162 891 G CA 0.758 46.090 45.100 0.385 0.000 0.777 891 G HN 0.423 nan 8.290 nan 0.000 0.539 892 L N 1.510 122.941 121.223 0.347 0.000 2.079 892 L HA 0.089 4.423 4.340 -0.009 0.000 0.210 892 L C 2.953 180.165 176.870 0.569 0.000 1.081 892 L CA 2.109 57.172 54.840 0.372 0.000 0.752 892 L CB -0.760 41.394 42.059 0.158 0.000 0.896 892 L HN 0.235 nan 8.230 nan 0.000 0.433 893 A N -0.554 122.574 122.820 0.513 0.000 1.873 893 A HA -0.022 4.293 4.320 -0.009 0.000 0.215 893 A C 2.364 180.305 177.584 0.595 0.000 1.186 893 A CA 1.379 53.749 52.037 0.556 0.000 0.616 893 A CB -1.597 17.671 19.000 0.446 0.000 0.823 893 A HN 0.505 nan 8.150 nan 0.000 0.442 894 G N -1.996 107.173 108.800 0.616 0.000 2.462 894 G HA2 -0.281 3.673 3.960 -0.009 0.000 0.220 894 G HA3 -0.281 3.673 3.960 -0.009 0.000 0.220 894 G C 1.502 176.574 174.900 0.286 0.000 1.121 894 G CA 1.286 46.611 45.100 0.375 0.000 0.758 894 G HN 0.615 nan 8.290 nan 0.000 0.559 895 Y N 0.081 120.535 120.300 0.257 0.000 2.184 895 Y HA 0.078 4.623 4.550 -0.008 0.000 0.290 895 Y C 2.113 178.021 175.900 0.014 0.000 1.129 895 Y CA 1.363 59.524 58.100 0.102 0.000 1.144 895 Y CB 0.010 38.525 38.460 0.091 0.000 0.995 895 Y HN 0.152 nan 8.280 nan 0.000 0.513 896 F N -1.368 118.823 119.950 0.401 0.000 2.664 896 F HA 0.032 4.553 4.527 -0.009 0.000 0.296 896 F C 1.542 177.446 175.800 0.173 0.000 1.125 896 F CA 0.444 58.612 58.000 0.281 0.000 1.444 896 F CB -0.183 39.011 39.000 0.324 0.000 1.114 896 F HN 0.031 nan 8.300 nan 0.000 0.576 897 L N -0.426 121.014 121.223 0.361 0.000 2.567 897 L HA 0.313 4.648 4.340 -0.009 0.000 0.225 897 L C 1.456 178.399 176.870 0.122 0.000 1.119 897 L CA 0.398 55.388 54.840 0.251 0.000 0.871 897 L CB -0.766 41.488 42.059 0.325 0.000 1.036 897 L HN 0.169 nan 8.230 nan 0.000 0.459 898 G N 0.787 109.618 108.800 0.052 0.000 2.372 898 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.297 898 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.297 898 G C -0.049 174.815 174.900 -0.060 0.000 1.005 898 G CA 0.739 45.811 45.100 -0.046 0.000 1.173 898 G HN 0.517 nan 8.290 nan 0.000 0.511 899 Q N -1.161 118.571 119.800 -0.112 0.000 2.522 899 Q HA 0.716 5.050 4.340 -0.009 0.000 0.285 899 Q C -0.590 175.106 176.000 -0.507 0.000 0.982 899 Q CA -1.401 54.258 55.803 -0.240 0.000 0.805 899 Q CB 1.570 30.198 28.738 -0.183 0.000 1.457 899 Q HN 0.337 nan 8.270 nan 0.000 0.394 900 R N 0.931 121.144 120.500 -0.479 0.000 2.711 900 R HA 0.626 4.961 4.340 -0.009 0.000 0.284 900 R C -1.049 174.951 176.300 -0.500 0.000 0.968 900 R CA -0.670 55.147 56.100 -0.471 0.000 0.924 900 R CB 1.004 31.212 30.300 -0.155 0.000 1.162 900 R HN 0.666 nan 8.270 nan 0.000 0.465 901 Y N 0.319 120.670 120.300 0.085 0.000 2.686 901 Y HA 0.613 5.157 4.550 -0.010 0.000 0.330 901 Y C 0.420 176.348 175.900 0.047 0.000 1.082 901 Y CA -1.273 56.865 58.100 0.063 0.000 1.158 901 Y CB 1.643 40.219 38.460 0.193 0.000 1.333 901 Y HN 0.281 nan 8.280 nan 0.000 0.519 902 I N 1.250 121.949 120.570 0.216 0.000 2.448 902 I HA 0.218 4.382 4.170 -0.009 0.000 0.281 902 I C -0.831 175.424 176.117 0.229 0.000 1.027 902 I CA -0.309 61.064 61.300 0.121 0.000 1.111 902 I CB 1.570 39.582 38.000 0.021 0.000 1.236 902 I HN 0.477 nan 8.210 nan 0.000 0.452 903 S N 8.060 123.856 115.700 0.159 0.000 2.532 903 S HA 0.489 4.954 4.470 -0.009 0.000 0.318 903 S C -2.406 172.229 174.600 0.059 0.000 1.083 903 S CA -1.473 56.835 58.200 0.181 0.000 1.131 903 S CB 0.759 64.000 63.200 0.067 0.000 0.973 903 S HN 0.205 nan 8.310 nan 0.000 0.468 904 P HA 0.070 nan 4.420 nan 0.000 0.269 904 P C 1.342 178.669 177.300 0.043 0.000 1.211 904 P CA -0.086 63.055 63.100 0.069 0.000 0.781 904 P CB 0.437 32.204 31.700 0.111 0.000 0.877 905 I N 0.365 120.920 120.570 -0.025 0.000 2.052 905 I HA -0.289 3.875 4.170 -0.009 0.000 0.235 905 I C 1.516 177.484 176.117 -0.249 0.000 1.046 905 I CA 2.220 63.402 61.300 -0.198 0.000 1.308 905 I CB -0.260 37.605 38.000 -0.225 0.000 1.031 905 I HN 0.390 nan 8.210 nan 0.000 0.395 906 F N -1.084 118.955 119.950 0.148 0.000 2.706 906 F HA 0.110 4.631 4.527 -0.010 0.000 0.308 906 F C 0.306 176.172 175.800 0.112 0.000 1.095 906 F CA -0.454 57.622 58.000 0.127 0.000 1.244 906 F CB 0.541 39.605 39.000 0.107 0.000 1.063 906 F HN 0.032 nan 8.300 nan 0.000 0.582 907 D N 0.559 121.115 120.400 0.260 0.000 2.404 907 D HA 0.507 5.141 4.640 -0.009 0.000 0.267 907 D C -0.024 176.386 176.300 0.183 0.000 1.194 907 D CA -0.094 54.025 54.000 0.199 0.000 0.910 907 D CB 0.381 41.286 40.800 0.175 0.000 1.090 907 D HN 0.213 nan 8.370 nan 0.000 0.511 908 G N 1.043 109.946 108.800 0.172 0.000 2.896 908 G HA2 0.622 4.576 3.960 -0.009 0.000 0.247 908 G HA3 0.622 4.576 3.960 -0.009 0.000 0.247 908 G C -0.549 174.322 174.900 -0.049 0.000 1.187 908 G CA -0.254 44.945 45.100 0.165 0.000 0.837 908 G HN 0.572 nan 8.290 nan 0.000 0.559 909 A N -0.546 122.065 122.820 -0.347 0.000 2.547 909 A HA 0.537 4.852 4.320 -0.009 0.000 0.233 909 A C 0.109 177.511 177.584 -0.303 0.000 1.067 909 A CA 0.922 52.450 52.037 -0.848 0.000 0.763 909 A CB 0.162 18.735 19.000 -0.711 0.000 1.007 909 A HN 0.542 nan 8.150 nan 0.000 0.506 910 K N -0.393 119.821 120.400 -0.310 0.000 2.385 910 K HA 0.321 4.635 4.320 -0.009 0.000 0.248 910 K C 0.938 177.456 176.600 -0.137 0.000 0.955 910 K CA -0.434 55.769 56.287 -0.140 0.000 0.816 910 K CB 1.554 34.008 32.500 -0.078 0.000 1.250 910 K HN 0.762 nan 8.250 nan 0.000 0.434 911 E N 1.745 121.884 120.200 -0.101 0.000 2.114 911 E HA -0.186 4.158 4.350 -0.009 0.000 0.199 911 E C -1.134 175.430 176.600 -0.060 0.000 1.008 911 E CA 1.829 58.177 56.400 -0.086 0.000 0.810 911 E CB -0.221 29.440 29.700 -0.065 0.000 0.739 911 E HN 0.342 nan 8.360 nan 0.000 0.456 912 P HA -0.099 nan 4.420 nan 0.000 0.217 912 P C 0.624 177.911 177.300 -0.023 0.000 1.151 912 P CA 1.262 64.347 63.100 -0.025 0.000 0.828 912 P CB 0.031 31.723 31.700 -0.012 0.000 0.788 913 E N -0.905 119.265 120.200 -0.049 0.000 2.106 913 E HA -0.147 4.197 4.350 -0.009 0.000 0.192 913 E C 1.811 178.388 176.600 -0.039 0.000 0.984 913 E CA 0.833 57.212 56.400 -0.036 0.000 0.806 913 E CB -0.552 29.088 29.700 -0.099 0.000 0.750 913 E HN 0.147 nan 8.360 nan 0.000 0.458 914 I N 1.458 121.978 120.570 -0.082 0.000 2.142 914 I HA -0.285 3.880 4.170 -0.009 0.000 0.240 914 I C 2.009 178.132 176.117 0.009 0.000 1.078 914 I CA 1.383 62.657 61.300 -0.044 0.000 1.343 914 I CB -0.186 37.789 38.000 -0.041 0.000 1.046 914 I HN -0.075 nan 8.210 nan 0.000 0.405 915 K N 0.341 120.740 120.400 -0.002 0.000 2.281 915 K HA -0.209 4.106 4.320 -0.009 0.000 0.203 915 K C 1.942 178.569 176.600 0.044 0.000 1.046 915 K CA 0.985 57.279 56.287 0.013 0.000 0.938 915 K CB -0.472 32.023 32.500 -0.008 0.000 0.737 915 K HN 0.490 nan 8.250 nan 0.000 0.458 916 E N 1.241 121.467 120.200 0.043 0.000 2.046 916 E HA -0.098 4.246 4.350 -0.009 0.000 0.190 916 E C 2.115 178.773 176.600 0.096 0.000 0.982 916 E CA 0.651 57.089 56.400 0.063 0.000 0.800 916 E CB 0.000 29.738 29.700 0.062 0.000 0.756 916 E HN 0.224 nan 8.360 nan 0.000 0.449 917 L N 0.585 121.871 121.223 0.104 0.000 2.083 917 L HA -0.203 4.132 4.340 -0.009 0.000 0.209 917 L C 2.718 179.712 176.870 0.206 0.000 1.083 917 L CA 0.524 55.454 54.840 0.150 0.000 0.752 917 L CB -0.402 41.723 42.059 0.110 0.000 0.899 917 L HN 0.143 nan 8.230 nan 0.000 0.433 918 L N 0.038 121.392 121.223 0.219 0.000 2.079 918 L HA -0.219 4.116 4.340 -0.009 0.000 0.210 918 L C 2.776 179.801 176.870 0.258 0.000 1.081 918 L CA 1.926 56.980 54.840 0.358 0.000 0.752 918 L CB -0.989 41.283 42.059 0.355 0.000 0.896 918 L HN 0.211 nan 8.230 nan 0.000 0.433 919 A N -1.334 121.584 122.820 0.164 0.000 1.940 919 A HA -0.307 4.007 4.320 -0.009 0.000 0.219 919 A C 2.307 179.962 177.584 0.118 0.000 1.176 919 A CA 1.992 54.092 52.037 0.104 0.000 0.631 919 A CB -0.529 18.511 19.000 0.067 0.000 0.814 919 A HN 0.517 nan 8.150 nan 0.000 0.446 920 Q N -1.157 118.724 119.800 0.135 0.000 2.245 920 Q HA 0.145 4.480 4.340 -0.009 0.000 0.201 920 Q C 2.041 178.122 176.000 0.135 0.000 0.955 920 Q CA 1.002 56.887 55.803 0.136 0.000 0.870 920 Q CB -0.255 28.576 28.738 0.154 0.000 0.945 920 Q HN 0.625 nan 8.270 nan 0.000 0.461 921 A N -0.254 122.650 122.820 0.140 0.000 1.929 921 A HA -0.130 4.185 4.320 -0.009 0.000 0.216 921 A C 1.734 179.182 177.584 -0.225 0.000 1.176 921 A CA 0.709 52.799 52.037 0.088 0.000 0.628 921 A CB -0.739 18.409 19.000 0.246 0.000 0.816 921 A HN 0.567 nan 8.150 nan 0.000 0.444 922 F N 0.838 120.497 119.950 -0.484 0.000 2.202 922 F HA -0.162 4.359 4.527 -0.011 0.000 0.301 922 F C 2.116 177.788 175.800 -0.214 0.000 1.082 922 F CA 2.033 59.690 58.000 -0.573 0.000 1.313 922 F CB 0.023 38.774 39.000 -0.415 0.000 1.024 922 F HN 0.321 nan 8.300 nan 0.000 0.495 923 E N -0.209 119.991 120.200 0.000 0.000 2.112 923 E HA -0.086 4.259 4.350 -0.009 0.000 0.190 923 E C 2.086 178.665 176.600 -0.036 0.000 0.979 923 E CA 1.294 57.692 56.400 -0.003 0.000 0.814 923 E CB -0.306 29.440 29.700 0.076 0.000 0.762 923 E HN 0.244 nan 8.360 nan 0.000 0.460 924 V N 0.701 120.639 119.914 0.040 0.000 2.358 924 V HA -0.203 3.911 4.120 -0.009 0.000 0.246 924 V C 2.191 178.410 176.094 0.208 0.000 1.047 924 V CA 1.874 64.263 62.300 0.148 0.000 1.035 924 V CB -0.840 31.149 31.823 0.276 0.000 0.658 924 V HN 0.340 nan 8.190 nan 0.000 0.452 925 Y N 0.217 120.474 120.300 -0.072 0.000 2.184 925 Y HA -0.122 4.421 4.550 -0.011 0.000 0.290 925 Y C 2.154 177.964 175.900 -0.150 0.000 1.129 925 Y CA 1.270 59.301 58.100 -0.116 0.000 1.144 925 Y CB -0.479 37.492 38.460 -0.814 0.000 0.995 925 Y HN 0.238 nan 8.280 nan 0.000 0.513 926 F N 0.341 119.714 119.950 -0.961 0.000 2.619 926 F HA 0.267 4.790 4.527 -0.008 0.000 0.293 926 F C 2.264 177.777 175.800 -0.479 0.000 1.119 926 F CA 0.762 58.163 58.000 -0.997 0.000 1.445 926 F CB -0.443 37.618 39.000 -1.563 0.000 1.119 926 F HN 0.065 nan 8.300 nan 0.000 0.573 927 G N 0.080 108.694 108.800 -0.311 0.000 2.404 927 G HA2 -0.303 3.651 3.960 -0.009 0.000 0.215 927 G HA3 -0.303 3.651 3.960 -0.009 0.000 0.215 927 G C 1.711 176.483 174.900 -0.213 0.000 1.174 927 G CA 0.864 45.842 45.100 -0.202 0.000 0.780 927 G HN 0.261 nan 8.290 nan 0.000 0.537 928 K N 0.037 120.351 120.400 -0.143 0.000 2.103 928 K HA -0.010 4.304 4.320 -0.009 0.000 0.207 928 K C 2.655 179.152 176.600 -0.172 0.000 1.048 928 K CA 0.720 56.947 56.287 -0.100 0.000 0.930 928 K CB -0.090 32.409 32.500 -0.002 0.000 0.716 928 K HN -0.002 nan 8.250 nan 0.000 0.444 929 R N 0.756 121.092 120.500 -0.273 0.000 2.105 929 R HA -0.125 4.209 4.340 -0.009 0.000 0.239 929 R C 1.985 178.027 176.300 -0.429 0.000 1.135 929 R CA 1.560 57.453 56.100 -0.346 0.000 0.967 929 R CB -0.166 29.760 30.300 -0.623 0.000 0.861 929 R HN 0.268 nan 8.270 nan 0.000 0.442 930 K N -1.235 118.842 120.400 -0.538 0.000 2.062 930 K HA -0.051 4.263 4.320 -0.009 0.000 0.205 930 K C 2.072 178.511 176.600 -0.270 0.000 1.051 930 K CA 1.318 57.360 56.287 -0.408 0.000 0.941 930 K CB -0.195 32.097 32.500 -0.348 0.000 0.719 930 K HN 0.253 nan 8.250 nan 0.000 0.440 931 G N 1.103 109.767 108.800 -0.228 0.000 2.396 931 G HA2 -0.202 3.752 3.960 -0.009 0.000 0.214 931 G HA3 -0.202 3.752 3.960 -0.009 0.000 0.214 931 G C 1.080 175.842 174.900 -0.230 0.000 1.166 931 G CA 0.225 45.214 45.100 -0.185 0.000 0.793 931 G HN 0.265 nan 8.290 nan 0.000 0.533 932 E N -0.151 119.905 120.200 -0.240 0.000 2.333 932 E HA 0.022 4.366 4.350 -0.009 0.000 0.200 932 E C 1.917 178.145 176.600 -0.619 0.000 1.010 932 E CA 0.580 56.808 56.400 -0.288 0.000 0.841 932 E CB -0.094 29.516 29.700 -0.150 0.000 0.757 932 E HN 0.519 nan 8.360 nan 0.000 0.508 933 G N -0.464 107.933 108.800 -0.671 0.000 2.296 933 G HA2 -0.164 3.790 3.960 -0.009 0.000 0.188 933 G HA3 -0.164 3.790 3.960 -0.009 0.000 0.188 933 G C -0.137 174.251 174.900 -0.853 0.000 1.000 933 G CA -0.206 44.368 45.100 -0.878 0.000 0.672 933 G HN 0.150 nan 8.290 nan 0.000 0.483 934 F N 0.148 120.045 119.950 -0.090 0.000 2.599 934 F HA 0.809 5.331 4.527 -0.009 0.000 0.311 934 F C 0.984 176.724 175.800 -0.100 0.000 1.076 934 F CA -0.630 57.331 58.000 -0.066 0.000 0.937 934 F CB 0.916 39.898 39.000 -0.030 0.000 1.282 934 F HN 0.214 nan 8.300 nan 0.000 0.460 935 G N 0.340 109.242 108.800 0.170 0.000 3.286 935 G HA2 0.536 4.490 3.960 -0.009 0.000 0.173 935 G HA3 0.536 4.490 3.960 -0.009 0.000 0.173 935 G C -0.484 174.559 174.900 0.238 0.000 1.704 935 G CA 0.015 45.203 45.100 0.146 0.000 1.041 935 G HN 0.847 nan 8.290 nan 0.000 0.561 936 V N -1.385 118.676 119.914 0.244 0.000 2.630 936 V HA 0.604 4.719 4.120 -0.009 0.000 0.305 936 V C -0.725 175.473 176.094 0.172 0.000 1.046 936 V CA -0.971 61.470 62.300 0.236 0.000 0.934 936 V CB 1.553 33.501 31.823 0.207 0.000 1.003 936 V HN 0.447 nan 8.190 nan 0.000 0.451 937 D N 1.628 122.138 120.400 0.184 0.000 2.377 937 D HA 0.305 4.939 4.640 -0.009 0.000 0.245 937 D C 0.891 177.260 176.300 0.116 0.000 1.196 937 D CA -0.191 53.910 54.000 0.167 0.000 0.962 937 D CB 1.250 42.207 40.800 0.263 0.000 1.127 937 D HN 0.763 nan 8.370 nan 0.000 0.471 938 K N 0.151 120.612 120.400 0.102 0.000 2.097 938 K HA -0.052 4.262 4.320 -0.009 0.000 0.205 938 K C 1.862 178.490 176.600 0.047 0.000 1.050 938 K CA 1.047 57.374 56.287 0.068 0.000 0.938 938 K CB 0.237 32.775 32.500 0.064 0.000 0.718 938 K HN 0.227 nan 8.250 nan 0.000 0.442 939 R N 0.537 121.073 120.500 0.060 0.000 2.061 939 R HA -0.111 4.223 4.340 -0.009 0.000 0.230 939 R C 2.189 178.443 176.300 -0.077 0.000 1.140 939 R CA 1.633 57.717 56.100 -0.027 0.000 0.940 939 R CB -0.849 29.424 30.300 -0.044 0.000 0.839 939 R HN 0.345 nan 8.270 nan 0.000 0.429 940 E N 0.513 120.702 120.200 -0.019 0.000 2.097 940 E HA -0.149 4.195 4.350 -0.009 0.000 0.196 940 E C 2.036 178.640 176.600 0.007 0.000 1.000 940 E CA 1.387 57.790 56.400 0.005 0.000 0.804 940 E CB 0.003 29.774 29.700 0.117 0.000 0.740 940 E HN 0.015 nan 8.360 nan 0.000 0.454 941 V N 0.491 120.420 119.914 0.025 0.000 2.453 941 V HA -0.215 3.899 4.120 -0.009 0.000 0.247 941 V C 2.216 178.309 176.094 -0.002 0.000 1.048 941 V CA 1.914 64.225 62.300 0.017 0.000 1.049 941 V CB -0.231 31.611 31.823 0.031 0.000 0.672 941 V HN 0.292 nan 8.190 nan 0.000 0.457 942 E N -0.135 120.059 120.200 -0.009 0.000 2.038 942 E HA -0.223 4.121 4.350 -0.009 0.000 0.195 942 E C 2.207 178.787 176.600 -0.033 0.000 1.000 942 E CA 1.857 58.245 56.400 -0.019 0.000 0.803 942 E CB -0.253 29.433 29.700 -0.023 0.000 0.750 942 E HN 0.305 nan 8.360 nan 0.000 0.448 943 V N 0.548 120.430 119.914 -0.053 0.000 2.594 943 V HA -0.216 3.899 4.120 -0.009 0.000 0.253 943 V C 2.216 178.288 176.094 -0.037 0.000 1.069 943 V CA 1.440 63.706 62.300 -0.057 0.000 1.082 943 V CB -0.269 31.502 31.823 -0.088 0.000 0.680 943 V HN 0.333 nan 8.190 nan 0.000 0.469 944 L N -0.861 120.346 121.223 -0.027 0.000 2.056 944 L HA -0.172 4.162 4.340 -0.009 0.000 0.207 944 L C 2.672 179.531 176.870 -0.020 0.000 1.078 944 L CA 1.715 56.542 54.840 -0.021 0.000 0.749 944 L CB -0.533 41.517 42.059 -0.015 0.000 0.901 944 L HN 0.225 nan 8.230 nan 0.000 0.433 945 R N -0.411 120.078 120.500 -0.017 0.000 2.082 945 R HA -0.199 4.135 4.340 -0.009 0.000 0.234 945 R C 2.426 178.716 176.300 -0.017 0.000 1.136 945 R CA 1.679 57.770 56.100 -0.015 0.000 0.935 945 R CB -0.436 29.857 30.300 -0.011 0.000 0.842 945 R HN 0.213 nan 8.270 nan 0.000 0.430 946 R N 0.359 120.846 120.500 -0.020 0.000 2.193 946 R HA -0.093 4.242 4.340 -0.009 0.000 0.229 946 R C 1.917 178.203 176.300 -0.022 0.000 1.110 946 R CA 1.263 57.350 56.100 -0.021 0.000 0.988 946 R CB -0.052 30.233 30.300 -0.025 0.000 0.871 946 R HN 0.266 nan 8.270 nan 0.000 0.458 947 A N 1.221 124.027 122.820 -0.023 0.000 1.935 947 A HA -0.138 4.176 4.320 -0.009 0.000 0.214 947 A C 1.853 179.423 177.584 -0.022 0.000 1.178 947 A CA 1.144 53.167 52.037 -0.023 0.000 0.640 947 A CB -0.261 18.724 19.000 -0.025 0.000 0.825 947 A HN 0.636 nan 8.150 nan 0.000 0.447 948 E N 0.287 120.474 120.200 -0.021 0.000 2.152 948 E HA -0.135 4.209 4.350 -0.009 0.000 0.192 948 E C 1.575 178.165 176.600 -0.017 0.000 0.983 948 E CA 1.111 57.499 56.400 -0.020 0.000 0.818 948 E CB -0.280 29.408 29.700 -0.019 0.000 0.758 948 E HN 0.506 nan 8.360 nan 0.000 0.467 949 K N 0.135 120.525 120.400 -0.016 0.000 2.365 949 K HA -0.025 4.289 4.320 -0.009 0.000 0.199 949 K C 1.841 178.432 176.600 -0.015 0.000 1.045 949 K CA 0.268 56.547 56.287 -0.015 0.000 0.962 949 K CB 0.052 32.544 32.500 -0.014 0.000 0.759 949 K HN 0.173 nan 8.250 nan 0.000 0.469 950 L N -0.116 121.097 121.223 -0.017 0.000 2.062 950 L HA 0.027 4.361 4.340 -0.009 0.000 0.202 950 L C 1.197 178.057 176.870 -0.017 0.000 1.079 950 L CA 2.409 57.239 54.840 -0.017 0.000 0.755 950 L CB -0.654 41.394 42.059 -0.019 0.000 0.913 950 L HN 0.420 nan 8.230 nan 0.000 0.445 951 G N -1.711 107.078 108.800 -0.019 0.000 2.161 951 G HA2 -0.125 3.829 3.960 -0.009 0.000 0.140 951 G HA3 -0.125 3.829 3.960 -0.009 0.000 0.140 951 G C 0.460 175.347 174.900 -0.022 0.000 1.040 951 G CA 0.124 45.213 45.100 -0.019 0.000 0.735 951 G HN 0.190 nan 8.290 nan 0.000 0.496 952 L N 0.496 121.704 121.223 -0.024 0.000 2.513 952 L HA 0.367 4.701 4.340 -0.009 0.000 0.222 952 L C 1.194 178.044 176.870 -0.033 0.000 1.096 952 L CA 1.140 55.963 54.840 -0.028 0.000 0.857 952 L CB 0.156 42.198 42.059 -0.028 0.000 1.026 952 L HN 0.626 nan 8.230 nan 0.000 0.469 953 V N -2.741 117.154 119.914 -0.032 0.000 2.577 953 V HA 0.458 4.572 4.120 -0.009 0.000 0.303 953 V C 0.258 176.332 176.094 -0.034 0.000 1.042 953 V CA -0.952 61.325 62.300 -0.038 0.000 0.872 953 V CB 0.840 32.639 31.823 -0.040 0.000 0.998 953 V HN 0.328 nan 8.190 nan 0.000 0.423 954 T N 2.889 117.421 114.554 -0.036 0.000 2.758 954 T HA 0.247 4.591 4.350 -0.009 0.000 0.281 954 T C -2.014 172.670 174.700 -0.027 0.000 0.963 954 T CA -0.514 61.568 62.100 -0.030 0.000 1.201 954 T CB -0.196 68.653 68.868 -0.032 0.000 0.906 954 T HN 0.713 nan 8.240 nan 0.000 0.528 955 P HA 0.282 nan 4.420 nan 0.000 0.264 955 P C 1.283 178.573 177.300 -0.017 0.000 1.183 955 P CA 1.117 64.206 63.100 -0.018 0.000 0.763 955 P CB 0.203 31.895 31.700 -0.015 0.000 0.807 956 G N 1.767 110.558 108.800 -0.015 0.000 2.475 956 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.209 956 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.209 956 G C 0.350 175.242 174.900 -0.014 0.000 1.127 956 G CA -0.008 45.085 45.100 -0.012 0.000 0.681 956 G HN 0.712 nan 8.290 nan 0.000 0.517 957 K N 1.813 122.201 120.400 -0.021 0.000 2.494 957 K HA 0.390 4.705 4.320 -0.009 0.000 0.273 957 K C 0.763 177.349 176.600 -0.023 0.000 0.970 957 K CA 0.769 57.040 56.287 -0.026 0.000 0.963 957 K CB 0.303 32.779 32.500 -0.041 0.000 0.913 957 K HN 0.322 nan 8.250 nan 0.000 0.502 958 T N 3.421 117.963 114.554 -0.019 0.000 2.919 958 T HA 0.152 4.496 4.350 -0.009 0.000 0.302 958 T C -1.828 172.858 174.700 -0.023 0.000 1.031 958 T CA -1.693 60.402 62.100 -0.008 0.000 1.127 958 T CB 0.834 69.707 68.868 0.008 0.000 0.952 958 T HN 0.420 nan 8.240 nan 0.000 0.540 959 P HA -0.186 nan 4.420 nan 0.000 0.217 959 P C 1.283 178.539 177.300 -0.074 0.000 1.158 959 P CA 1.521 64.606 63.100 -0.026 0.000 0.887 959 P CB 0.112 31.820 31.700 0.014 0.000 0.792 960 E N -0.041 120.140 120.200 -0.031 0.000 2.049 960 E HA -0.252 4.092 4.350 -0.009 0.000 0.198 960 E C 1.958 178.473 176.600 -0.143 0.000 1.007 960 E CA 1.621 57.991 56.400 -0.051 0.000 0.809 960 E CB -0.849 28.932 29.700 0.136 0.000 0.749 960 E HN 0.091 nan 8.360 nan 0.000 0.450 961 E N 0.120 120.255 120.200 -0.107 0.000 2.204 961 E HA -0.147 4.197 4.350 -0.009 0.000 0.194 961 E C 2.098 178.579 176.600 -0.199 0.000 0.989 961 E CA 0.809 57.110 56.400 -0.164 0.000 0.824 961 E CB -0.106 29.539 29.700 -0.090 0.000 0.756 961 E HN 0.486 nan 8.360 nan 0.000 0.477 962 Q N -0.023 119.691 119.800 -0.144 0.000 2.049 962 Q HA -0.020 4.315 4.340 -0.009 0.000 0.198 962 Q C 2.332 178.244 176.000 -0.146 0.000 0.971 962 Q CA 0.667 56.399 55.803 -0.120 0.000 0.833 962 Q CB 0.044 28.739 28.738 -0.072 0.000 0.896 962 Q HN 0.234 nan 8.270 nan 0.000 0.434 963 L N 0.736 121.863 121.223 -0.160 0.000 2.191 963 L HA -0.211 4.123 4.340 -0.009 0.000 0.212 963 L C 2.412 179.158 176.870 -0.208 0.000 1.103 963 L CA 1.289 56.076 54.840 -0.088 0.000 0.769 963 L CB -0.404 41.633 42.059 -0.037 0.000 0.908 963 L HN 0.247 nan 8.230 nan 0.000 0.438 964 K N 0.476 120.438 120.400 -0.730 0.000 2.025 964 K HA -0.213 4.102 4.320 -0.009 0.000 0.207 964 K C 1.917 178.279 176.600 -0.396 0.000 1.049 964 K CA 1.373 56.972 56.287 -1.147 0.000 0.933 964 K CB 0.036 31.773 32.500 -1.272 0.000 0.714 964 K HN 0.205 nan 8.250 nan 0.000 0.438 965 E N 0.164 120.199 120.200 -0.275 0.000 2.049 965 E HA -0.230 4.115 4.350 -0.009 0.000 0.198 965 E C 1.951 178.504 176.600 -0.079 0.000 1.007 965 E CA 1.349 57.663 56.400 -0.143 0.000 0.809 965 E CB -0.085 29.544 29.700 -0.117 0.000 0.749 965 E HN 0.156 nan 8.360 nan 0.000 0.450 966 L N -0.006 121.182 121.223 -0.058 0.000 2.083 966 L HA -0.152 4.182 4.340 -0.009 0.000 0.209 966 L C 2.001 178.885 176.870 0.022 0.000 1.083 966 L CA 1.522 56.352 54.840 -0.016 0.000 0.752 966 L CB -0.567 41.493 42.059 0.002 0.000 0.899 966 L HN 0.155 nan 8.230 nan 0.000 0.433 967 F N -0.890 119.027 119.950 -0.054 0.000 2.163 967 F HA -0.177 4.344 4.527 -0.010 0.000 0.297 967 F C 2.154 177.917 175.800 -0.061 0.000 1.094 967 F CA 1.196 59.203 58.000 0.013 0.000 1.290 967 F CB -0.057 39.065 39.000 0.203 0.000 1.017 967 F HN -0.020 nan 8.300 nan 0.000 0.483 968 L N 0.131 121.469 121.223 0.191 0.000 2.187 968 L HA -0.262 4.073 4.340 -0.009 0.000 0.213 968 L C 2.201 179.003 176.870 -0.113 0.000 1.100 968 L CA 1.245 56.126 54.840 0.068 0.000 0.765 968 L CB -0.734 41.332 42.059 0.013 0.000 0.904 968 L HN 0.244 nan 8.230 nan 0.000 0.437 969 Q N -0.338 119.375 119.800 -0.146 0.000 2.488 969 Q HA -0.036 4.298 4.340 -0.009 0.000 0.211 969 Q C 1.601 177.346 176.000 -0.425 0.000 0.967 969 Q CA 0.749 56.435 55.803 -0.195 0.000 0.926 969 Q CB 0.195 28.867 28.738 -0.110 0.000 0.992 969 Q HN 0.677 nan 8.270 nan 0.000 0.506 970 G N 1.492 109.929 108.800 -0.604 0.000 2.176 970 G HA2 -0.245 3.709 3.960 -0.009 0.000 0.232 970 G HA3 -0.245 3.709 3.960 -0.009 0.000 0.232 970 G C -0.084 174.562 174.900 -0.424 0.000 0.986 970 G CA 0.222 44.743 45.100 -0.965 0.000 0.643 970 G HN 0.346 nan 8.290 nan 0.000 0.522 971 K N -0.145 120.071 120.400 -0.306 0.000 2.328 971 K HA 0.865 5.179 4.320 -0.009 0.000 0.246 971 K C -0.215 176.278 176.600 -0.180 0.000 0.955 971 K CA -0.594 55.585 56.287 -0.179 0.000 0.817 971 K CB 3.319 35.779 32.500 -0.067 0.000 1.208 971 K HN 0.916 nan 8.250 nan 0.000 0.432 972 V N -2.029 117.825 119.914 -0.100 0.000 3.130 972 V HA 0.521 4.635 4.120 -0.009 0.000 0.310 972 V C -0.597 175.530 176.094 0.056 0.000 1.158 972 V CA -1.091 61.227 62.300 0.030 0.000 1.029 972 V CB 1.867 33.719 31.823 0.048 0.000 1.057 972 V HN 0.552 nan 8.190 nan 0.000 0.436 973 V N 3.076 123.055 119.914 0.109 0.000 2.508 973 V HA 0.416 4.531 4.120 -0.009 0.000 0.281 973 V C -0.062 176.081 176.094 0.082 0.000 1.041 973 V CA -0.027 62.294 62.300 0.036 0.000 1.016 973 V CB 0.378 32.185 31.823 -0.027 0.000 0.984 973 V HN 0.667 nan 8.190 nan 0.000 0.478 974 L N 5.507 126.747 121.223 0.029 0.000 2.346 974 L HA 0.593 4.927 4.340 -0.009 0.000 0.274 974 L C -0.708 176.198 176.870 0.060 0.000 1.007 974 L CA -0.404 54.516 54.840 0.134 0.000 0.818 974 L CB 1.715 43.826 42.059 0.087 0.000 1.284 974 L HN 0.499 nan 8.230 nan 0.000 0.424 975 Y N 0.597 120.845 120.300 -0.088 0.000 2.341 975 Y HA 0.288 4.835 4.550 -0.004 0.000 0.337 975 Y C 0.322 175.947 175.900 -0.458 0.000 1.014 975 Y CA -1.680 56.289 58.100 -0.217 0.000 1.111 975 Y CB 0.691 39.080 38.460 -0.118 0.000 1.194 975 Y HN 0.493 nan 8.280 nan 0.000 0.462 976 D N 2.448 122.786 120.400 -0.104 0.000 2.402 976 D HA -0.029 4.605 4.640 -0.009 0.000 0.268 976 D C 1.374 177.591 176.300 -0.138 0.000 1.294 976 D CA 0.650 54.587 54.000 -0.106 0.000 0.945 976 D CB 1.008 41.768 40.800 -0.066 0.000 1.112 976 D HN 0.955 nan 8.370 nan 0.000 0.517 977 G N 4.488 113.209 108.800 -0.131 0.000 2.537 977 G HA2 -0.270 3.684 3.960 -0.009 0.000 0.220 977 G HA3 -0.270 3.684 3.960 -0.009 0.000 0.220 977 G C 1.529 176.486 174.900 0.096 0.000 1.111 977 G CA 0.429 45.552 45.100 0.039 0.000 0.748 977 G HN 0.538 nan 8.290 nan 0.000 0.564 978 R N -1.038 119.498 120.500 0.060 0.000 2.090 978 R HA 0.090 4.425 4.340 -0.009 0.000 0.219 978 R C 2.427 178.757 176.300 0.050 0.000 1.100 978 R CA 1.328 57.466 56.100 0.062 0.000 0.991 978 R CB -0.489 29.841 30.300 0.049 0.000 0.893 978 R HN 0.275 nan 8.270 nan 0.000 0.443 979 T N -1.464 113.111 114.554 0.035 0.000 3.023 979 T HA 0.179 4.523 4.350 -0.009 0.000 0.249 979 T C 1.305 176.048 174.700 0.071 0.000 1.050 979 T CA 1.030 63.154 62.100 0.040 0.000 1.088 979 T CB 0.211 69.089 68.868 0.017 0.000 0.946 979 T HN 0.502 nan 8.240 nan 0.000 0.480 980 G N 1.184 110.040 108.800 0.094 0.000 2.225 980 G HA2 -0.199 3.755 3.960 -0.009 0.000 0.254 980 G HA3 -0.199 3.755 3.960 -0.009 0.000 0.254 980 G C -0.053 174.981 174.900 0.223 0.000 0.988 980 G CA 0.339 45.544 45.100 0.175 0.000 0.625 980 G HN 0.600 nan 8.290 nan 0.000 0.527 981 E N 1.565 121.840 120.200 0.126 0.000 2.345 981 E HA 0.466 4.810 4.350 -0.009 0.000 0.259 981 E C -2.153 174.473 176.600 0.043 0.000 1.117 981 E CA -1.648 54.806 56.400 0.091 0.000 0.913 981 E CB 0.888 30.608 29.700 0.034 0.000 1.057 981 E HN 0.253 nan 8.360 nan 0.000 0.432 982 P HA 0.116 nan 4.420 nan 0.000 0.274 982 P C -0.529 176.703 177.300 -0.113 0.000 1.256 982 P CA -0.111 62.872 63.100 -0.194 0.000 0.795 982 P CB 0.553 32.084 31.700 -0.282 0.000 1.038 983 I N 1.117 121.614 120.570 -0.122 0.000 2.282 983 I HA 0.076 4.240 4.170 -0.009 0.000 0.290 983 I C 0.767 176.838 176.117 -0.078 0.000 1.090 983 I CA -0.528 60.723 61.300 -0.080 0.000 1.231 983 I CB -0.085 37.881 38.000 -0.057 0.000 1.434 983 I HN 0.366 nan 8.210 nan 0.000 0.487 984 E N 6.402 126.562 120.200 -0.067 0.000 3.025 984 E HA 0.138 4.483 4.350 -0.009 0.000 0.248 984 E C 0.467 177.038 176.600 -0.047 0.000 0.938 984 E CA 0.100 56.466 56.400 -0.056 0.000 0.958 984 E CB -0.103 29.570 29.700 -0.044 0.000 0.898 984 E HN 0.842 nan 8.360 nan 0.000 0.537 985 G N 3.227 111.999 108.800 -0.047 0.000 3.039 985 G HA2 -0.130 3.824 3.960 -0.009 0.000 0.686 985 G HA3 -0.130 3.824 3.960 -0.009 0.000 0.686 985 G C -2.755 172.125 174.900 -0.034 0.000 1.066 985 G CA -1.129 43.949 45.100 -0.036 0.000 0.774 985 G HN 0.396 nan 8.290 nan 0.000 0.591 986 P HA 0.319 nan 4.420 nan 0.000 0.264 986 P C 0.286 177.576 177.300 -0.017 0.000 1.193 986 P CA 0.146 63.233 63.100 -0.021 0.000 0.763 986 P CB 0.484 32.172 31.700 -0.019 0.000 0.810 987 I N 3.120 123.682 120.570 -0.013 0.000 2.433 987 I HA 0.235 4.399 4.170 -0.009 0.000 0.292 987 I C 0.338 176.451 176.117 -0.008 0.000 1.001 987 I CA -1.133 60.166 61.300 -0.003 0.000 1.119 987 I CB 1.971 39.976 38.000 0.009 0.000 1.289 987 I HN 0.108 nan 8.210 nan 0.000 0.438 988 V N 8.444 128.363 119.914 0.008 0.000 2.924 988 V HA 0.555 4.669 4.120 -0.009 0.000 0.305 988 V C -0.319 175.783 176.094 0.014 0.000 1.073 988 V CA 0.158 62.468 62.300 0.017 0.000 1.098 988 V CB 1.610 33.504 31.823 0.119 0.000 1.000 988 V HN 0.563 nan 8.190 nan 0.000 0.484 989 V N 2.808 122.721 119.914 -0.002 0.000 3.188 989 V HA 1.129 5.243 4.120 -0.009 0.000 0.305 989 V C -0.100 176.010 176.094 0.027 0.000 1.232 989 V CA 0.115 62.417 62.300 0.004 0.000 1.043 989 V CB 1.085 32.894 31.823 -0.023 0.000 1.068 989 V HN 1.811 nan 8.190 nan 0.000 0.439 990 G N 0.619 109.444 108.800 0.041 0.000 2.321 990 G HA2 0.409 4.364 3.960 -0.009 0.000 0.296 990 G HA3 0.409 4.364 3.960 -0.009 0.000 0.296 990 G C -1.923 173.049 174.900 0.120 0.000 1.287 990 G CA -0.768 44.391 45.100 0.098 0.000 0.846 990 G HN 0.824 nan 8.290 nan 0.000 0.508 991 Q N 0.467 120.386 119.800 0.198 0.000 2.390 991 Q HA 0.485 4.819 4.340 -0.009 0.000 0.249 991 Q C -0.406 175.729 176.000 0.226 0.000 0.996 991 Q CA -0.068 55.870 55.803 0.224 0.000 0.899 991 Q CB 1.356 30.264 28.738 0.284 0.000 1.216 991 Q HN 0.509 nan 8.270 nan 0.000 0.465 992 M N 3.437 123.158 119.600 0.202 0.000 2.311 992 M HA 0.365 4.840 4.480 -0.009 0.000 0.325 992 M C -1.327 175.122 176.300 0.248 0.000 1.061 992 M CA -0.780 54.645 55.300 0.207 0.000 0.957 992 M CB 1.111 33.797 32.600 0.145 0.000 1.646 992 M HN 0.580 nan 8.290 nan 0.000 0.434 993 F N 6.982 126.983 119.950 0.085 0.000 2.487 993 F HA 0.416 4.937 4.527 -0.010 0.000 0.364 993 F C -1.147 174.697 175.800 0.074 0.000 1.126 993 F CA -0.245 57.804 58.000 0.083 0.000 1.135 993 F CB 0.209 39.234 39.000 0.041 0.000 1.127 993 F HN 0.421 nan 8.300 nan 0.000 0.559 994 I N 7.572 127.950 120.570 -0.320 0.000 2.433 994 I HA 0.349 4.514 4.170 -0.009 0.000 0.292 994 I C -0.458 175.441 176.117 -0.364 0.000 1.001 994 I CA -0.829 60.292 61.300 -0.299 0.000 1.119 994 I CB 1.987 39.928 38.000 -0.097 0.000 1.289 994 I HN 0.531 nan 8.210 nan 0.000 0.438 995 M N 4.970 124.354 119.600 -0.361 0.000 2.598 995 M HA 0.490 4.964 4.480 -0.009 0.000 0.317 995 M C -0.385 175.856 176.300 -0.098 0.000 1.201 995 M CA -0.699 54.481 55.300 -0.200 0.000 0.971 995 M CB 1.788 34.273 32.600 -0.192 0.000 1.657 995 M HN 0.407 nan 8.290 nan 0.000 0.470 996 K N 1.947 122.349 120.400 0.002 0.000 2.159 996 K HA 0.658 4.973 4.320 -0.009 0.000 0.266 996 K C -1.663 174.953 176.600 0.026 0.000 0.975 996 K CA -0.498 55.775 56.287 -0.023 0.000 0.865 996 K CB 1.019 33.544 32.500 0.041 0.000 1.087 996 K HN 0.719 nan 8.250 nan 0.000 0.446 997 L N 3.862 125.102 121.223 0.028 0.000 2.343 997 L HA 0.334 4.668 4.340 -0.009 0.000 0.275 997 L C -0.087 176.871 176.870 0.147 0.000 1.056 997 L CA -1.351 53.545 54.840 0.093 0.000 0.804 997 L CB 0.643 42.750 42.059 0.080 0.000 1.203 997 L HN 0.616 nan 8.230 nan 0.000 0.440 998 Y N 1.249 121.585 120.300 0.060 0.000 2.610 998 Y HA 0.027 4.571 4.550 -0.009 0.000 0.332 998 Y C 0.122 176.119 175.900 0.162 0.000 1.201 998 Y CA -0.072 58.078 58.100 0.084 0.000 1.465 998 Y CB 0.113 38.620 38.460 0.078 0.000 1.283 998 Y HN 0.383 nan 8.280 nan 0.000 0.563 999 H N 7.019 125.703 119.070 -0.643 0.000 2.800 999 H HA 0.201 4.751 4.556 -0.010 0.000 0.291 999 H C 0.292 175.029 175.328 -0.984 0.000 1.076 999 H CA -0.209 55.474 56.048 -0.608 0.000 1.452 999 H CB 0.250 29.769 29.762 -0.405 0.000 1.461 999 H HN 0.739 nan 8.280 nan 0.000 0.488 1000 M N 2.581 121.889 119.600 -0.488 0.000 2.114 1000 M HA -0.011 4.463 4.480 -0.009 0.000 0.293 1000 M C 1.555 177.747 176.300 -0.180 0.000 1.201 1000 M CA -0.280 54.846 55.300 -0.289 0.000 1.107 1000 M CB 1.042 33.606 32.600 -0.059 0.000 1.405 1000 M HN 0.515 nan 8.290 nan 0.000 0.486 1001 V N -0.806 119.084 119.914 -0.040 0.000 3.186 1001 V HA -0.185 3.929 4.120 -0.009 0.000 0.270 1001 V C 1.559 177.694 176.094 0.068 0.000 1.149 1001 V CA 1.803 64.112 62.300 0.015 0.000 1.160 1001 V CB -1.744 30.120 31.823 0.068 0.000 0.758 1001 V HN 0.987 nan 8.190 nan 0.000 0.516 1002 E N 0.039 120.242 120.200 0.005 0.000 2.216 1002 E HA -0.209 4.135 4.350 -0.009 0.000 0.192 1002 E C 1.850 178.447 176.600 -0.006 0.000 0.988 1002 E CA 1.046 57.454 56.400 0.014 0.000 0.834 1002 E CB -0.467 29.182 29.700 -0.085 0.000 0.772 1002 E HN 0.608 nan 8.360 nan 0.000 0.479 1003 D N 1.813 122.120 120.400 -0.155 0.000 2.178 1003 D HA -0.147 4.487 4.640 -0.009 0.000 0.202 1003 D C 0.543 176.772 176.300 -0.118 0.000 0.974 1003 D CA 0.491 54.329 54.000 -0.270 0.000 0.841 1003 D CB 0.035 40.383 40.800 -0.754 0.000 0.953 1003 D HN 0.090 nan 8.370 nan 0.000 0.478 1004 K N 1.949 122.318 120.400 -0.051 0.000 2.320 1004 K HA -0.134 4.181 4.320 -0.009 0.000 0.269 1004 K C 0.532 177.052 176.600 -0.133 0.000 1.182 1004 K CA -0.121 56.134 56.287 -0.053 0.000 1.190 1004 K CB -0.209 32.262 32.500 -0.047 0.000 0.850 1004 K HN 0.085 nan 8.250 nan 0.000 0.467 1005 M N 6.353 125.890 119.600 -0.106 0.000 2.861 1005 M HA -0.052 4.423 4.480 -0.009 0.000 0.347 1005 M C -1.011 174.989 176.300 -0.500 0.000 1.791 1005 M CA 0.270 55.471 55.300 -0.164 0.000 1.332 1005 M CB -0.090 32.452 32.600 -0.096 0.000 2.040 1005 M HN 0.540 nan 8.290 nan 0.000 0.463 1006 H N 3.992 122.612 119.070 -0.749 0.000 2.732 1006 H HA 0.594 5.144 4.556 -0.010 0.000 0.351 1006 H C -0.359 174.431 175.328 -0.895 0.000 1.090 1006 H CA 0.422 55.587 56.048 -1.471 0.000 1.431 1006 H CB 0.783 30.059 29.762 -0.811 0.000 1.447 1006 H HN 0.750 nan 8.280 nan 0.000 0.582 1007 A N 3.105 125.458 122.820 -0.778 0.000 2.511 1007 A HA 0.435 4.749 4.320 -0.009 0.000 0.292 1007 A C -0.884 176.803 177.584 0.171 0.000 1.045 1007 A CA -0.786 51.171 52.037 -0.134 0.000 0.870 1007 A CB 1.047 20.019 19.000 -0.046 0.000 1.361 1007 A HN 0.707 nan 8.150 nan 0.000 0.396 1008 R N 2.397 122.977 120.500 0.132 0.000 2.476 1008 R HA 0.608 4.943 4.340 -0.009 0.000 0.305 1008 R C 0.195 176.548 176.300 0.088 0.000 0.965 1008 R CA 0.268 56.468 56.100 0.166 0.000 0.867 1008 R CB 1.958 32.356 30.300 0.164 0.000 1.176 1008 R HN 0.783 nan 8.270 nan 0.000 0.447 1009 S N 2.383 118.129 115.700 0.076 0.000 2.339 1009 S HA 0.169 4.633 4.470 -0.009 0.000 0.213 1009 S C 0.081 174.704 174.600 0.039 0.000 1.033 1009 S CA 0.966 59.202 58.200 0.061 0.000 0.950 1009 S CB 0.281 63.521 63.200 0.067 0.000 0.893 1009 S HN 0.716 nan 8.310 nan 0.000 0.492 1010 T N -0.117 114.433 114.554 -0.007 0.000 2.894 1010 T HA 0.713 5.057 4.350 -0.009 0.000 0.309 1010 T C -0.259 174.375 174.700 -0.110 0.000 1.208 1010 T CA -0.291 61.780 62.100 -0.048 0.000 1.016 1010 T CB 1.581 70.381 68.868 -0.114 0.000 1.192 1010 T HN 0.651 nan 8.240 nan 0.000 0.491 1011 G N 1.122 109.802 108.800 -0.199 0.000 2.450 1011 G HA2 0.648 4.602 3.960 -0.009 0.000 0.273 1011 G HA3 0.648 4.602 3.960 -0.009 0.000 0.273 1011 G C -3.152 171.507 174.900 -0.402 0.000 1.221 1011 G CA -0.735 44.220 45.100 -0.242 0.000 0.900 1011 G HN 0.652 nan 8.290 nan 0.000 0.483 1012 P HA 0.474 nan 4.420 nan 0.000 0.272 1012 P C -1.465 175.484 177.300 -0.584 0.000 1.248 1012 P CA 0.110 63.052 63.100 -0.263 0.000 0.799 1012 P CB 0.246 31.865 31.700 -0.136 0.000 0.997 1013 Y N -2.092 118.211 120.300 0.004 0.000 2.513 1013 Y HA 0.329 4.873 4.550 -0.009 0.000 0.340 1013 Y C 0.677 176.585 175.900 0.014 0.000 1.055 1013 Y CA -0.732 57.374 58.100 0.010 0.000 1.020 1013 Y CB 1.649 40.114 38.460 0.008 0.000 1.301 1013 Y HN 0.268 nan 8.280 nan 0.000 0.453 1014 S N 2.510 118.318 115.700 0.181 0.000 2.563 1014 S HA 0.029 4.493 4.470 -0.009 0.000 0.269 1014 S C 1.032 175.695 174.600 0.105 0.000 1.364 1014 S CA -0.304 57.962 58.200 0.109 0.000 1.010 1014 S CB 0.392 63.647 63.200 0.091 0.000 0.877 1014 S HN 0.838 nan 8.310 nan 0.000 0.549 1015 L N 3.038 124.303 121.223 0.071 0.000 2.022 1015 L HA -0.021 4.313 4.340 -0.009 0.000 0.204 1015 L C 1.979 178.880 176.870 0.052 0.000 1.076 1015 L CA 1.592 56.467 54.840 0.058 0.000 0.749 1015 L CB -0.742 41.343 42.059 0.044 0.000 0.903 1015 L HN 0.826 nan 8.230 nan 0.000 0.439 1016 I N -0.752 119.846 120.570 0.047 0.000 2.315 1016 I HA -0.054 4.110 4.170 -0.009 0.000 0.233 1016 I C 1.615 177.762 176.117 0.050 0.000 1.067 1016 I CA 0.940 62.266 61.300 0.043 0.000 1.376 1016 I CB -2.163 35.859 38.000 0.036 0.000 1.143 1016 I HN 0.251 nan 8.210 nan 0.000 0.421 1017 T N 2.051 116.636 114.554 0.053 0.000 2.888 1017 T HA 0.024 4.369 4.350 -0.009 0.000 0.301 1017 T C 0.654 175.398 174.700 0.073 0.000 1.001 1017 T CA -0.159 61.976 62.100 0.058 0.000 1.147 1017 T CB 0.646 69.548 68.868 0.057 0.000 0.931 1017 T HN 0.296 nan 8.240 nan 0.000 0.541 1018 Q N 2.306 122.145 119.800 0.066 0.000 2.253 1018 Q HA 0.051 4.385 4.340 -0.009 0.000 0.210 1018 Q C 0.873 176.956 176.000 0.138 0.000 0.907 1018 Q CA -0.000 55.843 55.803 0.067 0.000 0.948 1018 Q CB 0.110 28.843 28.738 -0.008 0.000 1.033 1018 Q HN 0.847 nan 8.270 nan 0.000 0.471 1019 Q N 0.348 120.245 119.800 0.162 0.000 2.306 1019 Q HA 0.367 4.702 4.340 -0.009 0.000 0.241 1019 Q C -2.495 173.670 176.000 0.277 0.000 0.948 1019 Q CA -2.271 53.661 55.803 0.215 0.000 0.886 1019 Q CB 0.077 28.890 28.738 0.124 0.000 1.227 1019 Q HN -0.165 nan 8.270 nan 0.000 0.457 1020 P HA -0.070 nan 4.420 nan 0.000 0.257 1020 P C -1.174 176.089 177.300 -0.061 0.000 1.162 1020 P CA 0.568 63.635 63.100 -0.056 0.000 0.762 1020 P CB 0.138 31.833 31.700 -0.007 0.000 0.753 1021 L N 3.746 124.886 121.223 -0.140 0.000 2.431 1021 L HA 0.751 5.086 4.340 -0.009 0.000 0.266 1021 L C 0.451 177.276 176.870 -0.075 0.000 0.978 1021 L CA -0.153 54.651 54.840 -0.059 0.000 0.822 1021 L CB 1.986 44.036 42.059 -0.016 0.000 1.310 1021 L HN 0.470 nan 8.230 nan 0.000 0.409 1022 G N 1.127 109.914 108.800 -0.021 0.000 3.075 1022 G HA2 0.750 4.705 3.960 -0.009 0.000 0.156 1022 G HA3 0.750 4.705 3.960 -0.009 0.000 0.156 1022 G C 0.115 175.010 174.900 -0.007 0.000 1.403 1022 G CA -0.027 45.066 45.100 -0.011 0.000 1.033 1022 G HN 1.235 nan 8.290 nan 0.000 0.589 1023 G N -1.043 107.760 108.800 0.005 0.000 1.800 1023 G HA2 -0.096 3.858 3.960 -0.009 0.000 0.054 1023 G HA3 -0.096 3.858 3.960 -0.009 0.000 0.054 1023 G C 1.013 175.900 174.900 -0.020 0.000 0.844 1023 G CA 0.682 45.782 45.100 -0.001 0.000 1.105 1023 G HN 0.530 nan 8.290 nan 0.000 0.327 1024 K N 0.241 120.618 120.400 -0.039 0.000 1.975 1024 K HA 0.331 4.646 4.320 -0.009 0.000 0.210 1024 K C 2.655 179.193 176.600 -0.102 0.000 1.041 1024 K CA 1.791 58.047 56.287 -0.053 0.000 0.942 1024 K CB -0.173 32.304 32.500 -0.039 0.000 0.729 1024 K HN 0.417 nan 8.250 nan 0.000 0.439 1025 A N 0.178 122.919 122.820 -0.131 0.000 1.993 1025 A HA 0.092 4.406 4.320 -0.009 0.000 0.202 1025 A C 0.407 177.800 177.584 -0.318 0.000 1.461 1025 A CA -0.056 51.854 52.037 -0.212 0.000 0.824 1025 A CB 0.067 18.978 19.000 -0.149 0.000 1.024 1025 A HN 0.182 nan 8.150 nan 0.000 0.507 1026 Q N 0.532 120.207 119.800 -0.208 0.000 2.281 1026 Q HA 0.399 4.733 4.340 -0.009 0.000 0.267 1026 Q C -1.123 174.808 176.000 -0.115 0.000 1.053 1026 Q CA -0.168 55.524 55.803 -0.185 0.000 0.905 1026 Q CB -0.052 28.616 28.738 -0.117 0.000 1.195 1026 Q HN 0.436 nan 8.270 nan 0.000 0.398 1027 F N 1.178 121.109 119.950 -0.032 0.000 2.635 1027 F HA 0.040 4.561 4.527 -0.009 0.000 0.379 1027 F C 1.528 177.335 175.800 0.012 0.000 1.094 1027 F CA 0.732 58.737 58.000 0.009 0.000 1.300 1027 F CB 0.088 39.103 39.000 0.025 0.000 1.035 1027 F HN 0.530 nan 8.300 nan 0.000 0.581 1028 G N 1.766 110.737 108.800 0.285 0.000 2.569 1028 G HA2 0.438 4.393 3.960 -0.009 0.000 0.249 1028 G HA3 0.438 4.393 3.960 -0.009 0.000 0.249 1028 G C 0.245 175.205 174.900 0.100 0.000 1.216 1028 G CA -0.294 44.884 45.100 0.129 0.000 0.845 1028 G HN 0.959 nan 8.290 nan 0.000 0.568 1029 G N -0.529 108.295 108.800 0.041 0.000 2.503 1029 G HA2 0.431 4.385 3.960 -0.009 0.000 0.257 1029 G HA3 0.431 4.385 3.960 -0.009 0.000 0.257 1029 G C 0.023 174.937 174.900 0.023 0.000 1.214 1029 G CA -0.255 44.866 45.100 0.034 0.000 0.839 1029 G HN 0.680 nan 8.290 nan 0.000 0.559 1030 Q N -0.375 119.436 119.800 0.018 0.000 2.354 1030 Q HA 0.332 4.666 4.340 -0.009 0.000 0.244 1030 Q C 0.521 176.543 176.000 0.036 0.000 0.969 1030 Q CA 0.017 55.821 55.803 0.002 0.000 0.885 1030 Q CB 0.650 29.389 28.738 0.000 0.000 1.241 1030 Q HN 0.509 nan 8.270 nan 0.000 0.461 1031 R N 1.696 122.207 120.500 0.017 0.000 2.404 1031 R HA 0.295 4.630 4.340 -0.009 0.000 0.291 1031 R C -0.988 175.358 176.300 0.075 0.000 1.025 1031 R CA -0.376 55.749 56.100 0.042 0.000 0.991 1031 R CB 0.749 31.044 30.300 -0.007 0.000 1.053 1031 R HN 0.526 nan 8.270 nan 0.000 0.479 1032 F N 2.124 122.044 119.950 -0.050 0.000 2.307 1032 F HA 0.375 4.897 4.527 -0.009 0.000 0.369 1032 F C 0.418 176.162 175.800 -0.094 0.000 1.076 1032 F CA -0.381 57.581 58.000 -0.064 0.000 1.149 1032 F CB 0.823 39.798 39.000 -0.041 0.000 1.410 1032 F HN 0.586 nan 8.300 nan 0.000 0.481 1033 G N 3.701 112.301 108.800 -0.333 0.000 2.537 1033 G HA2 0.167 4.122 3.960 -0.009 0.000 0.273 1033 G HA3 0.167 4.122 3.960 -0.009 0.000 0.273 1033 G C 0.699 175.310 174.900 -0.481 0.000 1.189 1033 G CA -0.124 44.785 45.100 -0.318 0.000 0.881 1033 G HN 0.774 nan 8.290 nan 0.000 0.535 1034 E N 0.359 120.286 120.200 -0.455 0.000 2.070 1034 E HA -0.294 4.050 4.350 -0.009 0.000 0.197 1034 E C 2.232 177.945 176.600 -1.478 0.000 1.004 1034 E CA 1.384 57.359 56.400 -0.708 0.000 0.805 1034 E CB -0.269 29.141 29.700 -0.484 0.000 0.744 1034 E HN 0.442 nan 8.360 nan 0.000 0.451 1035 M N 0.567 119.335 119.600 -1.387 0.000 2.144 1035 M HA -0.201 4.274 4.480 -0.009 0.000 0.260 1035 M C 1.790 177.642 176.300 -0.747 0.000 1.067 1035 M CA 1.866 56.385 55.300 -1.302 0.000 1.095 1035 M CB 0.072 32.298 32.600 -0.625 0.000 1.365 1035 M HN 0.056 nan 8.290 nan 0.000 0.406 1036 E N -1.134 118.629 120.200 -0.728 0.000 2.112 1036 E HA -0.088 4.256 4.350 -0.009 0.000 0.190 1036 E C 1.896 178.104 176.600 -0.654 0.000 0.979 1036 E CA 0.952 56.908 56.400 -0.740 0.000 0.814 1036 E CB -0.193 28.806 29.700 -1.168 0.000 0.762 1036 E HN 0.280 nan 8.360 nan 0.000 0.460 1037 V N 0.376 119.939 119.914 -0.585 0.000 2.255 1037 V HA -0.268 3.846 4.120 -0.009 0.000 0.247 1037 V C 1.865 178.024 176.094 0.109 0.000 1.051 1037 V CA 1.777 64.070 62.300 -0.011 0.000 1.018 1037 V CB -0.714 31.116 31.823 0.012 0.000 0.641 1037 V HN 0.398 nan 8.190 nan 0.000 0.445 1038 W N 0.329 121.641 121.300 0.020 0.000 2.342 1038 W HA -0.139 4.515 4.660 -0.010 0.000 0.297 1038 W C 2.740 179.278 176.519 0.032 0.000 1.213 1038 W CA 1.270 58.628 57.345 0.023 0.000 1.251 1038 W CB -1.725 27.730 29.460 -0.008 0.000 1.136 1038 W HN 0.344 nan 8.180 nan 0.000 0.526 1039 A N 0.557 123.494 122.820 0.195 0.000 1.859 1039 A HA -0.198 4.116 4.320 -0.009 0.000 0.217 1039 A C 2.116 179.859 177.584 0.265 0.000 1.198 1039 A CA 2.094 54.232 52.037 0.168 0.000 0.629 1039 A CB -1.083 17.974 19.000 0.095 0.000 0.830 1039 A HN 0.147 nan 8.150 nan 0.000 0.446 1040 L N 0.074 121.472 121.223 0.292 0.000 2.046 1040 L HA -0.169 4.166 4.340 -0.009 0.000 0.208 1040 L C 2.501 179.537 176.870 0.277 0.000 1.077 1040 L CA 2.090 57.129 54.840 0.332 0.000 0.747 1040 L CB -0.835 41.429 42.059 0.341 0.000 0.896 1040 L HN 0.496 nan 8.230 nan 0.000 0.432 1041 E N -0.790 119.557 120.200 0.245 0.000 2.085 1041 E HA -0.277 4.067 4.350 -0.009 0.000 0.194 1041 E C 2.185 178.878 176.600 0.155 0.000 0.994 1041 E CA 1.236 57.752 56.400 0.193 0.000 0.801 1041 E CB -0.261 29.568 29.700 0.215 0.000 0.743 1041 E HN 0.548 nan 8.360 nan 0.000 0.453 1042 A N 1.132 124.038 122.820 0.143 0.000 1.865 1042 A HA -0.157 4.158 4.320 -0.009 0.000 0.217 1042 A C 1.037 178.647 177.584 0.045 0.000 1.191 1042 A CA 1.138 53.202 52.037 0.044 0.000 0.623 1042 A CB -0.735 18.245 19.000 -0.034 0.000 0.826 1042 A HN 0.162 nan 8.150 nan 0.000 0.444 1043 Y N -1.355 118.987 120.300 0.070 0.000 2.258 1043 Y HA 0.339 4.883 4.550 -0.010 0.000 0.345 1043 Y C 1.923 177.856 175.900 0.055 0.000 1.303 1043 Y CA 0.208 58.343 58.100 0.058 0.000 1.537 1043 Y CB 0.426 38.923 38.460 0.061 0.000 1.383 1043 Y HN 0.121 nan 8.280 nan 0.000 0.606 1044 G N 0.073 109.032 108.800 0.264 0.000 2.848 1044 G HA2 0.100 4.055 3.960 -0.009 0.000 0.208 1044 G HA3 0.100 4.055 3.960 -0.009 0.000 0.208 1044 G C 0.455 175.429 174.900 0.123 0.000 1.152 1044 G CA 0.244 45.433 45.100 0.149 0.000 0.789 1044 G HN 0.745 nan 8.290 nan 0.000 0.531 1045 A N 0.626 123.531 122.820 0.142 0.000 2.666 1045 A HA 0.464 4.778 4.320 -0.009 0.000 0.289 1045 A C 1.735 179.363 177.584 0.073 0.000 1.478 1045 A CA 0.841 52.933 52.037 0.092 0.000 1.079 1045 A CB -0.334 18.719 19.000 0.088 0.000 1.015 1045 A HN 0.605 nan 8.150 nan 0.000 0.582 1046 A N 1.824 124.668 122.820 0.040 0.000 1.871 1046 A HA 0.039 4.353 4.320 -0.009 0.000 0.211 1046 A C 1.908 179.405 177.584 -0.146 0.000 1.207 1046 A CA 1.067 53.059 52.037 -0.075 0.000 0.620 1046 A CB -0.592 18.306 19.000 -0.171 0.000 0.860 1046 A HN 0.850 nan 8.150 nan 0.000 0.450 1047 H N -0.190 118.875 119.070 -0.007 0.000 2.363 1047 H HA -0.069 4.482 4.556 -0.010 0.000 0.301 1047 H C 2.212 177.515 175.328 -0.041 0.000 1.074 1047 H CA 1.773 57.806 56.048 -0.024 0.000 1.354 1047 H CB -0.547 29.200 29.762 -0.025 0.000 1.397 1047 H HN 0.408 nan 8.280 nan 0.000 0.516 1048 T N 1.889 116.494 114.554 0.085 0.000 2.737 1048 T HA -0.145 4.199 4.350 -0.009 0.000 0.269 1048 T C 2.138 176.799 174.700 -0.065 0.000 1.040 1048 T CA 1.135 63.239 62.100 0.006 0.000 1.142 1048 T CB -0.354 68.520 68.868 0.012 0.000 0.861 1048 T HN 0.086 nan 8.240 nan 0.000 0.456 1049 L N 0.706 121.907 121.223 -0.036 0.000 2.179 1049 L HA 0.119 4.454 4.340 -0.009 0.000 0.208 1049 L C 2.481 179.285 176.870 -0.110 0.000 1.096 1049 L CA 1.574 56.370 54.840 -0.074 0.000 0.779 1049 L CB -0.645 41.432 42.059 0.030 0.000 0.922 1049 L HN 0.205 nan 8.230 nan 0.000 0.443 1050 Q N -0.431 119.322 119.800 -0.078 0.000 2.046 1050 Q HA -0.234 4.101 4.340 -0.009 0.000 0.200 1050 Q C 2.021 177.974 176.000 -0.077 0.000 0.975 1050 Q CA 2.043 57.801 55.803 -0.074 0.000 0.836 1050 Q CB -0.068 28.625 28.738 -0.074 0.000 0.896 1050 Q HN 0.625 nan 8.270 nan 0.000 0.428 1051 E N -0.161 119.998 120.200 -0.068 0.000 2.077 1051 E HA -0.210 4.134 4.350 -0.009 0.000 0.193 1051 E C 1.929 178.450 176.600 -0.132 0.000 0.989 1051 E CA 1.337 57.694 56.400 -0.071 0.000 0.800 1051 E CB -0.040 29.633 29.700 -0.045 0.000 0.746 1051 E HN 0.301 nan 8.360 nan 0.000 0.452 1052 M N 0.172 119.624 119.600 -0.246 0.000 2.144 1052 M HA -0.171 4.303 4.480 -0.009 0.000 0.260 1052 M C 1.672 177.821 176.300 -0.250 0.000 1.067 1052 M CA 1.215 56.276 55.300 -0.398 0.000 1.095 1052 M CB 0.063 32.089 32.600 -0.957 0.000 1.365 1052 M HN 0.083 nan 8.290 nan 0.000 0.406 1053 L N -2.082 119.038 121.223 -0.173 0.000 2.202 1053 L HA 0.012 4.346 4.340 -0.009 0.000 0.205 1053 L C 2.026 178.866 176.870 -0.050 0.000 1.083 1053 L CA 1.354 56.145 54.840 -0.081 0.000 0.790 1053 L CB -1.620 40.412 42.059 -0.046 0.000 0.942 1053 L HN 0.263 nan 8.230 nan 0.000 0.452 1054 T N -0.576 113.944 114.554 -0.057 0.000 3.146 1054 T HA 0.145 4.489 4.350 -0.009 0.000 0.235 1054 T C 1.915 176.594 174.700 -0.034 0.000 0.985 1054 T CA 0.190 62.265 62.100 -0.042 0.000 1.265 1054 T CB 0.096 68.936 68.868 -0.045 0.000 0.946 1054 T HN 0.040 nan 8.240 nan 0.000 0.418 1055 L N 0.612 121.818 121.223 -0.028 0.000 2.217 1055 L HA 0.051 4.385 4.340 -0.009 0.000 0.211 1055 L C 2.370 179.245 176.870 0.007 0.000 1.107 1055 L CA 1.237 56.071 54.840 -0.010 0.000 0.783 1055 L CB -0.340 41.718 42.059 -0.002 0.000 0.919 1055 L HN 0.214 nan 8.230 nan 0.000 0.442 1056 K N -0.702 119.695 120.400 -0.005 0.000 2.078 1056 K HA -0.052 4.262 4.320 -0.009 0.000 0.203 1056 K C 2.370 179.010 176.600 0.067 0.000 1.043 1056 K CA 1.355 57.657 56.287 0.025 0.000 0.960 1056 K CB 0.052 32.542 32.500 -0.016 0.000 0.761 1056 K HN 0.104 nan 8.250 nan 0.000 0.448 1057 S N 0.080 115.803 115.700 0.038 0.000 2.517 1057 S HA -0.034 4.430 4.470 -0.009 0.000 0.228 1057 S C 1.533 176.165 174.600 0.053 0.000 1.060 1057 S CA 0.913 59.165 58.200 0.086 0.000 0.937 1057 S CB 0.022 63.260 63.200 0.063 0.000 0.840 1057 S HN 0.160 nan 8.310 nan 0.000 0.546 1058 D N 0.874 121.279 120.400 0.008 0.000 2.423 1058 D HA 0.177 4.812 4.640 -0.009 0.000 0.212 1058 D C -0.149 176.122 176.300 -0.049 0.000 1.060 1058 D CA 0.050 54.042 54.000 -0.012 0.000 0.872 1058 D CB -0.087 40.722 40.800 0.016 0.000 1.012 1058 D HN 0.305 nan 8.370 nan 0.000 0.503 1059 D N 0.990 121.360 120.400 -0.050 0.000 2.346 1059 D HA -0.008 4.626 4.640 -0.009 0.000 0.267 1059 D C 1.666 177.912 176.300 -0.090 0.000 1.320 1059 D CA 0.052 54.018 54.000 -0.057 0.000 0.951 1059 D CB 0.037 40.808 40.800 -0.048 0.000 1.079 1059 D HN 0.217 nan 8.370 nan 0.000 0.509 1060 I N 2.771 123.284 120.570 -0.096 0.000 2.052 1060 I HA -0.313 3.851 4.170 -0.009 0.000 0.235 1060 I C 2.295 178.358 176.117 -0.089 0.000 1.046 1060 I CA 1.499 62.723 61.300 -0.127 0.000 1.308 1060 I CB -0.223 37.727 38.000 -0.084 0.000 1.031 1060 I HN 0.536 nan 8.210 nan 0.000 0.395 1061 E N 1.047 121.217 120.200 -0.050 0.000 2.160 1061 E HA -0.197 4.147 4.350 -0.009 0.000 0.195 1061 E C 2.110 178.694 176.600 -0.026 0.000 0.991 1061 E CA 1.490 57.872 56.400 -0.030 0.000 0.810 1061 E CB -0.309 29.380 29.700 -0.018 0.000 0.742 1061 E HN 0.541 nan 8.360 nan 0.000 0.466 1062 G N 1.951 110.730 108.800 -0.035 0.000 2.484 1062 G HA2 -0.341 3.614 3.960 -0.009 0.000 0.215 1062 G HA3 -0.341 3.614 3.960 -0.009 0.000 0.215 1062 G C 1.682 176.576 174.900 -0.009 0.000 1.219 1062 G CA 1.216 46.302 45.100 -0.024 0.000 0.791 1062 G HN 0.402 nan 8.290 nan 0.000 0.550 1063 R N 0.454 120.940 120.500 -0.023 0.000 2.127 1063 R HA -0.083 4.251 4.340 -0.009 0.000 0.238 1063 R C 2.065 178.394 176.300 0.049 0.000 1.134 1063 R CA 1.642 57.749 56.100 0.012 0.000 0.975 1063 R CB -0.746 29.541 30.300 -0.021 0.000 0.865 1063 R HN 0.232 nan 8.270 nan 0.000 0.447 1064 N N 1.737 120.448 118.700 0.017 0.000 2.022 1064 N HA -0.112 4.622 4.740 -0.009 0.000 0.194 1064 N C 1.877 177.438 175.510 0.085 0.000 1.057 1064 N CA 2.280 55.362 53.050 0.052 0.000 0.849 1064 N CB -0.644 37.854 38.487 0.017 0.000 1.044 1064 N HN 0.395 nan 8.380 nan 0.000 0.424 1065 A N 0.284 123.131 122.820 0.045 0.000 2.076 1065 A HA 0.011 4.326 4.320 -0.009 0.000 0.220 1065 A C 2.190 179.798 177.584 0.039 0.000 1.160 1065 A CA 1.866 53.925 52.037 0.036 0.000 0.653 1065 A CB -0.813 18.195 19.000 0.014 0.000 0.801 1065 A HN 0.375 nan 8.150 nan 0.000 0.455 1066 A N -1.031 121.823 122.820 0.056 0.000 1.855 1066 A HA -0.052 4.263 4.320 -0.009 0.000 0.215 1066 A C 2.121 179.757 177.584 0.087 0.000 1.191 1066 A CA 1.578 53.650 52.037 0.057 0.000 0.613 1066 A CB -0.885 18.152 19.000 0.062 0.000 0.829 1066 A HN 0.717 nan 8.150 nan 0.000 0.442 1067 Y N 0.586 120.893 120.300 0.011 0.000 2.089 1067 Y HA -0.239 4.306 4.550 -0.010 0.000 0.282 1067 Y C 2.371 178.276 175.900 0.008 0.000 1.139 1067 Y CA 2.431 60.540 58.100 0.015 0.000 1.123 1067 Y CB -0.635 37.841 38.460 0.027 0.000 0.980 1067 Y HN 0.502 nan 8.280 nan 0.000 0.493 1068 E N 0.052 120.240 120.200 -0.020 0.000 2.130 1068 E HA -0.281 4.063 4.350 -0.009 0.000 0.196 1068 E C 2.219 178.728 176.600 -0.153 0.000 0.998 1068 E CA 1.378 57.700 56.400 -0.131 0.000 0.806 1068 E CB -0.411 29.298 29.700 0.015 0.000 0.738 1068 E HN 0.594 nan 8.360 nan 0.000 0.459 1069 A N 0.846 123.614 122.820 -0.086 0.000 1.877 1069 A HA -0.171 4.144 4.320 -0.009 0.000 0.216 1069 A C 2.172 179.691 177.584 -0.107 0.000 1.186 1069 A CA 1.537 53.529 52.037 -0.074 0.000 0.620 1069 A CB -0.646 18.331 19.000 -0.039 0.000 0.822 1069 A HN 0.358 nan 8.150 nan 0.000 0.443 1070 I N 0.023 120.515 120.570 -0.131 0.000 2.361 1070 I HA -0.218 3.947 4.170 -0.009 0.000 0.251 1070 I C 1.937 177.937 176.117 -0.196 0.000 1.133 1070 I CA 0.691 61.909 61.300 -0.136 0.000 1.413 1070 I CB -0.246 37.687 38.000 -0.112 0.000 1.073 1070 I HN 0.250 nan 8.210 nan 0.000 0.424 1071 I N 0.869 121.247 120.570 -0.319 0.000 2.439 1071 I HA -0.193 3.972 4.170 -0.009 0.000 0.251 1071 I C 2.100 178.112 176.117 -0.174 0.000 1.139 1071 I CA 1.632 62.739 61.300 -0.320 0.000 1.438 1071 I CB -0.824 36.893 38.000 -0.472 0.000 1.085 1071 I HN 0.291 nan 8.210 nan 0.000 0.427 1072 K N 0.005 120.323 120.400 -0.137 0.000 2.367 1072 K HA 0.254 4.569 4.320 -0.009 0.000 0.194 1072 K C 1.126 177.686 176.600 -0.067 0.000 1.027 1072 K CA 0.691 56.926 56.287 -0.086 0.000 1.075 1072 K CB 0.725 33.183 32.500 -0.070 0.000 0.845 1072 K HN 0.375 nan 8.250 nan 0.000 0.529 1073 G N 2.272 111.029 108.800 -0.071 0.000 2.154 1073 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.186 1073 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.186 1073 G C -0.221 174.652 174.900 -0.046 0.000 1.000 1073 G CA -0.057 45.010 45.100 -0.054 0.000 0.664 1073 G HN 0.342 nan 8.290 nan 0.000 0.513 1074 E N 0.132 120.303 120.200 -0.049 0.000 2.281 1074 E HA 0.500 4.844 4.350 -0.009 0.000 0.257 1074 E C -0.865 175.711 176.600 -0.041 0.000 0.971 1074 E CA -0.830 55.546 56.400 -0.041 0.000 0.839 1074 E CB 1.241 30.919 29.700 -0.037 0.000 1.238 1074 E HN -0.030 nan 8.360 nan 0.000 0.412 1075 D N 0.660 121.036 120.400 -0.039 0.000 2.362 1075 D HA 0.074 4.708 4.640 -0.009 0.000 0.238 1075 D C -0.151 176.128 176.300 -0.034 0.000 1.212 1075 D CA 0.076 54.052 54.000 -0.040 0.000 0.902 1075 D CB 1.044 41.818 40.800 -0.044 0.000 1.180 1075 D HN 0.293 nan 8.370 nan 0.000 0.445 1076 V N -0.439 119.456 119.914 -0.031 0.000 2.953 1076 V HA 0.474 4.589 4.120 -0.009 0.000 0.304 1076 V C -2.304 173.781 176.094 -0.016 0.000 1.073 1076 V CA -1.445 60.843 62.300 -0.020 0.000 1.064 1076 V CB 0.395 32.211 31.823 -0.012 0.000 1.047 1076 V HN 0.400 nan 8.190 nan 0.000 0.478 1077 P HA 0.201 nan 4.420 nan 0.000 0.268 1077 P C -0.337 176.959 177.300 -0.006 0.000 1.205 1077 P CA -0.069 63.025 63.100 -0.009 0.000 0.771 1077 P CB 0.225 31.921 31.700 -0.007 0.000 0.858 1078 E N 3.328 123.525 120.200 -0.005 0.000 2.392 1078 E HA 0.086 4.430 4.350 -0.009 0.000 0.264 1078 E C -1.940 174.653 176.600 -0.011 0.000 1.024 1078 E CA -1.443 54.958 56.400 0.002 0.000 0.903 1078 E CB -0.403 29.300 29.700 0.005 0.000 0.963 1078 E HN 0.346 nan 8.360 nan 0.000 0.432 1079 P HA -0.103 nan 4.420 nan 0.000 0.257 1079 P C -0.858 176.410 177.300 -0.053 0.000 1.153 1079 P CA 0.836 63.915 63.100 -0.034 0.000 0.762 1079 P CB 0.427 32.104 31.700 -0.039 0.000 0.743 1080 S N 1.426 117.093 115.700 -0.055 0.000 2.672 1080 S HA 0.308 4.773 4.470 -0.009 0.000 0.276 1080 S C 0.193 174.735 174.600 -0.097 0.000 1.207 1080 S CA -0.870 57.288 58.200 -0.069 0.000 1.002 1080 S CB 0.740 63.910 63.200 -0.049 0.000 0.998 1080 S HN 0.156 nan 8.310 nan 0.000 0.542 1081 V N 3.460 123.292 119.914 -0.136 0.000 2.928 1081 V HA 0.076 4.191 4.120 -0.009 0.000 0.307 1081 V C -2.128 173.901 176.094 -0.109 0.000 1.105 1081 V CA -0.838 61.343 62.300 -0.198 0.000 1.223 1081 V CB -0.408 31.242 31.823 -0.289 0.000 0.930 1081 V HN 0.670 nan 8.190 nan 0.000 0.499 1082 P HA 0.170 nan 4.420 nan 0.000 0.275 1082 P C 0.678 178.019 177.300 0.069 0.000 1.227 1082 P CA -0.304 62.803 63.100 0.012 0.000 0.781 1082 P CB 0.668 32.403 31.700 0.058 0.000 0.906 1083 E N 1.152 121.387 120.200 0.059 0.000 2.150 1083 E HA -0.126 4.219 4.350 -0.009 0.000 0.193 1083 E C 1.730 178.399 176.600 0.114 0.000 0.985 1083 E CA 1.523 57.973 56.400 0.084 0.000 0.814 1083 E CB -0.326 29.405 29.700 0.052 0.000 0.752 1083 E HN 0.498 nan 8.360 nan 0.000 0.466 1084 S N 0.609 116.372 115.700 0.105 0.000 2.359 1084 S HA -0.201 4.264 4.470 -0.009 0.000 0.224 1084 S C 1.996 176.664 174.600 0.113 0.000 1.035 1084 S CA 1.128 59.386 58.200 0.097 0.000 1.018 1084 S CB -0.822 62.430 63.200 0.087 0.000 0.876 1084 S HN 0.246 nan 8.310 nan 0.000 0.448 1085 F N 3.222 123.164 119.950 -0.014 0.000 2.031 1085 F HA -0.057 4.464 4.527 -0.010 0.000 0.295 1085 F C 2.693 178.466 175.800 -0.045 0.000 1.133 1085 F CA 1.626 59.600 58.000 -0.043 0.000 1.188 1085 F CB -0.335 38.615 39.000 -0.084 0.000 0.974 1085 F HN 0.022 nan 8.300 nan 0.000 0.473 1086 R N -0.190 120.489 120.500 0.298 0.000 2.096 1086 R HA -0.186 4.148 4.340 -0.009 0.000 0.240 1086 R C 2.094 178.580 176.300 0.310 0.000 1.139 1086 R CA 1.872 58.126 56.100 0.257 0.000 0.952 1086 R CB -1.235 29.251 30.300 0.312 0.000 0.854 1086 R HN 0.262 nan 8.270 nan 0.000 0.436 1087 V N 1.803 121.834 119.914 0.195 0.000 2.332 1087 V HA -0.258 3.856 4.120 -0.009 0.000 0.248 1087 V C 2.335 178.476 176.094 0.079 0.000 1.055 1087 V CA 1.803 64.180 62.300 0.130 0.000 1.038 1087 V CB -0.482 31.392 31.823 0.085 0.000 0.651 1087 V HN 0.300 nan 8.190 nan 0.000 0.450 1088 L N -0.438 120.795 121.223 0.016 0.000 2.017 1088 L HA -0.143 4.191 4.340 -0.009 0.000 0.208 1088 L C 2.396 179.228 176.870 -0.063 0.000 1.073 1088 L CA 1.599 56.400 54.840 -0.066 0.000 0.745 1088 L CB -0.196 41.751 42.059 -0.186 0.000 0.894 1088 L HN 0.149 nan 8.230 nan 0.000 0.432 1089 V N 0.017 119.894 119.914 -0.061 0.000 2.255 1089 V HA -0.306 3.808 4.120 -0.009 0.000 0.247 1089 V C 2.682 178.861 176.094 0.141 0.000 1.051 1089 V CA 1.846 64.164 62.300 0.030 0.000 1.018 1089 V CB -0.808 31.085 31.823 0.118 0.000 0.641 1089 V HN 0.409 nan 8.190 nan 0.000 0.445 1090 K N 0.022 120.554 120.400 0.220 0.000 2.097 1090 K HA -0.182 4.132 4.320 -0.009 0.000 0.206 1090 K C 2.104 178.737 176.600 0.054 0.000 1.049 1090 K CA 1.401 57.758 56.287 0.116 0.000 0.933 1090 K CB -0.423 32.122 32.500 0.075 0.000 0.717 1090 K HN 0.538 nan 8.250 nan 0.000 0.442 1091 E N 0.792 121.018 120.200 0.045 0.000 2.130 1091 E HA -0.132 4.212 4.350 -0.009 0.000 0.196 1091 E C 1.948 178.554 176.600 0.011 0.000 0.998 1091 E CA 0.830 57.241 56.400 0.019 0.000 0.806 1091 E CB -0.078 29.627 29.700 0.010 0.000 0.738 1091 E HN 0.139 nan 8.360 nan 0.000 0.459 1092 L N 0.224 121.452 121.223 0.008 0.000 2.313 1092 L HA -0.126 4.208 4.340 -0.009 0.000 0.214 1092 L C 2.040 178.919 176.870 0.014 0.000 1.119 1092 L CA 0.773 55.613 54.840 0.000 0.000 0.809 1092 L CB 0.063 42.109 42.059 -0.021 0.000 0.933 1092 L HN 0.190 nan 8.230 nan 0.000 0.449 1093 Q N -1.074 118.744 119.800 0.030 0.000 2.212 1093 Q HA -0.041 4.294 4.340 -0.009 0.000 0.199 1093 Q C 2.308 178.317 176.000 0.014 0.000 0.950 1093 Q CA 0.927 56.748 55.803 0.029 0.000 0.863 1093 Q CB 0.036 28.799 28.738 0.041 0.000 0.944 1093 Q HN 0.557 nan 8.270 nan 0.000 0.465 1094 A N 1.041 123.867 122.820 0.011 0.000 1.978 1094 A HA -0.115 4.199 4.320 -0.009 0.000 0.220 1094 A C 0.963 178.550 177.584 0.005 0.000 1.170 1094 A CA 0.900 52.940 52.037 0.005 0.000 0.636 1094 A CB -0.494 18.509 19.000 0.005 0.000 0.810 1094 A HN 0.211 nan 8.150 nan 0.000 0.448 1095 L N -1.876 119.351 121.223 0.006 0.000 2.326 1095 L HA 0.512 4.847 4.340 -0.009 0.000 0.278 1095 L C 1.680 178.554 176.870 0.006 0.000 1.092 1095 L CA 0.089 54.932 54.840 0.005 0.000 0.810 1095 L CB 0.663 42.724 42.059 0.003 0.000 1.153 1095 L HN 0.215 nan 8.230 nan 0.000 0.439 1096 A N 3.378 126.202 122.820 0.006 0.000 2.016 1096 A HA -0.172 4.142 4.320 -0.009 0.000 0.225 1096 A C 1.191 178.781 177.584 0.009 0.000 1.230 1096 A CA 1.408 53.449 52.037 0.007 0.000 0.678 1096 A CB -0.729 18.275 19.000 0.006 0.000 0.826 1096 A HN 0.543 nan 8.150 nan 0.000 0.484 1097 L N -0.102 121.126 121.223 0.008 0.000 2.516 1097 L HA 0.077 4.411 4.340 -0.009 0.000 0.288 1097 L C 0.114 176.994 176.870 0.016 0.000 1.246 1097 L CA 0.759 55.605 54.840 0.009 0.000 0.844 1097 L CB -0.104 41.958 42.059 0.004 0.000 1.106 1097 L HN 0.468 nan 8.230 nan 0.000 0.509 1098 D N 1.647 122.058 120.400 0.020 0.000 2.462 1098 D HA 0.324 4.959 4.640 -0.009 0.000 0.245 1098 D C -0.854 175.466 176.300 0.033 0.000 1.122 1098 D CA -0.398 53.621 54.000 0.031 0.000 0.864 1098 D CB 1.057 41.876 40.800 0.031 0.000 1.098 1098 D HN 0.135 nan 8.370 nan 0.000 0.541 1099 V N 2.879 122.817 119.914 0.040 0.000 2.304 1099 V HA 0.456 4.571 4.120 -0.009 0.000 0.269 1099 V C 0.061 176.194 176.094 0.064 0.000 1.036 1099 V CA -0.832 61.487 62.300 0.032 0.000 0.840 1099 V CB 0.544 32.361 31.823 -0.009 0.000 1.036 1099 V HN 0.504 nan 8.190 nan 0.000 0.466 1100 Q N 3.686 123.522 119.800 0.061 0.000 2.333 1100 Q HA 0.568 4.903 4.340 -0.009 0.000 0.267 1100 Q C 0.287 176.327 176.000 0.067 0.000 1.012 1100 Q CA -0.422 55.425 55.803 0.073 0.000 0.824 1100 Q CB 1.919 30.694 28.738 0.063 0.000 1.290 1100 Q HN 0.949 nan 8.270 nan 0.000 0.449 1101 T N 0.922 115.521 114.554 0.075 0.000 2.813 1101 T HA 0.491 4.835 4.350 -0.009 0.000 0.297 1101 T C -0.019 174.703 174.700 0.037 0.000 1.036 1101 T CA -0.480 61.658 62.100 0.063 0.000 1.044 1101 T CB 0.662 69.554 68.868 0.040 0.000 0.993 1101 T HN 0.448 nan 8.240 nan 0.000 0.535 1102 L N 0.231 121.470 121.223 0.027 0.000 2.183 1102 L HA 0.667 5.002 4.340 -0.009 0.000 0.253 1102 L C 0.178 177.053 176.870 0.008 0.000 1.048 1102 L CA -0.806 54.045 54.840 0.018 0.000 0.890 1102 L CB 1.922 43.992 42.059 0.019 0.000 1.476 1102 L HN 0.753 nan 8.230 nan 0.000 0.455 1103 D N -1.221 119.183 120.400 0.007 0.000 2.589 1103 D HA 0.198 4.832 4.640 -0.009 0.000 0.268 1103 D C 0.596 176.897 176.300 0.002 0.000 1.182 1103 D CA -0.294 53.707 54.000 0.001 0.000 1.087 1103 D CB 1.101 41.903 40.800 0.002 0.000 1.186 1103 D HN 0.439 nan 8.370 nan 0.000 0.620 1104 E N 0.100 120.300 120.200 0.000 0.000 2.005 1104 E HA -0.097 4.247 4.350 -0.009 0.000 0.198 1104 E C -0.002 176.600 176.600 0.003 0.000 1.010 1104 E CA 1.512 57.913 56.400 0.001 0.000 0.825 1104 E CB -0.076 29.624 29.700 -0.000 0.000 0.769 1104 E HN 0.260 nan 8.360 nan 0.000 0.456 1105 K N 2.095 122.497 120.400 0.004 0.000 2.218 1105 K HA 0.111 4.425 4.320 -0.009 0.000 0.276 1105 K C -0.707 175.897 176.600 0.007 0.000 1.022 1105 K CA -0.314 55.976 56.287 0.005 0.000 0.946 1105 K CB 0.464 32.967 32.500 0.005 0.000 1.000 1105 K HN 0.057 nan 8.250 nan 0.000 0.468 1106 D N 3.218 123.623 120.400 0.008 0.000 2.383 1106 D HA -0.026 4.608 4.640 -0.009 0.000 0.275 1106 D C -0.261 176.045 176.300 0.011 0.000 1.344 1106 D CA 0.541 54.547 54.000 0.010 0.000 0.984 1106 D CB -0.104 40.703 40.800 0.011 0.000 1.104 1106 D HN 0.363 nan 8.370 nan 0.000 0.524 1107 N N 1.684 120.391 118.700 0.012 0.000 2.934 1107 N HA 0.393 5.127 4.740 -0.009 0.000 0.253 1107 N C -2.779 172.740 175.510 0.015 0.000 1.466 1107 N CA -1.646 51.412 53.050 0.013 0.000 0.858 1107 N CB 1.975 40.468 38.487 0.010 0.000 1.459 1107 N HN -0.053 nan 8.380 nan 0.000 0.532 1108 P HA 0.243 nan 4.420 nan 0.000 0.271 1108 P C -0.828 176.480 177.300 0.013 0.000 1.244 1108 P CA -0.132 62.980 63.100 0.020 0.000 0.793 1108 P CB 0.737 32.452 31.700 0.025 0.000 0.984 1109 V N 0.408 120.329 119.914 0.012 0.000 3.077 1109 V HA 0.293 4.408 4.120 -0.009 0.000 0.299 1109 V C -1.362 174.730 176.094 -0.002 0.000 1.276 1109 V CA -0.358 61.941 62.300 -0.003 0.000 0.993 1109 V CB 2.565 34.378 31.823 -0.016 0.000 1.076 1109 V HN 0.415 nan 8.190 nan 0.000 0.434 1110 D N 1.845 122.237 120.400 -0.013 0.000 2.471 1110 D HA 0.506 5.140 4.640 -0.009 0.000 0.245 1110 D C 0.756 177.024 176.300 -0.053 0.000 1.116 1110 D CA -0.358 53.640 54.000 -0.002 0.000 0.853 1110 D CB 1.438 42.256 40.800 0.030 0.000 1.123 1110 D HN 0.497 nan 8.370 nan 0.000 0.540 1111 I N -0.113 120.384 120.570 -0.120 0.000 2.206 1111 I HA 0.224 4.389 4.170 -0.009 0.000 0.239 1111 I C 0.594 176.597 176.117 -0.191 0.000 1.078 1111 I CA 0.406 61.552 61.300 -0.258 0.000 1.367 1111 I CB -0.331 37.404 38.000 -0.442 0.000 1.078 1111 I HN 0.077 nan 8.210 nan 0.000 0.413 1112 F N 3.987 123.952 119.950 0.026 0.000 2.506 1112 F HA 0.105 4.627 4.527 -0.009 0.000 0.369 1112 F C 0.791 176.596 175.800 0.009 0.000 1.114 1112 F CA -0.583 57.432 58.000 0.025 0.000 1.121 1112 F CB -0.114 38.908 39.000 0.037 0.000 1.104 1112 F HN 0.264 nan 8.300 nan 0.000 0.564 1113 E N 2.676 122.972 120.200 0.159 0.000 2.003 1113 E HA 0.388 4.732 4.350 -0.009 0.000 0.279 1113 E C 1.078 177.729 176.600 0.084 0.000 1.132 1113 E CA 0.015 56.470 56.400 0.091 0.000 0.888 1113 E CB 0.706 30.430 29.700 0.041 0.000 1.056 1113 E HN 0.895 nan 8.360 nan 0.000 0.399 1114 G N 3.460 112.309 108.800 0.082 0.000 2.205 1114 G HA2 -0.342 3.613 3.960 -0.009 0.000 0.261 1114 G HA3 -0.342 3.613 3.960 -0.009 0.000 0.261 1114 G C 0.587 175.513 174.900 0.043 0.000 0.980 1114 G CA 0.503 45.635 45.100 0.054 0.000 0.632 1114 G HN 0.496 nan 8.290 nan 0.000 0.533 1115 L N -0.226 121.025 121.223 0.048 0.000 2.567 1115 L HA 0.714 5.048 4.340 -0.009 0.000 0.225 1115 L C 2.590 179.437 176.870 -0.038 0.000 1.119 1115 L CA 1.765 56.605 54.840 0.001 0.000 0.871 1115 L CB -0.326 41.727 42.059 -0.009 0.000 1.036 1115 L HN 0.355 nan 8.230 nan 0.000 0.459 1116 A N -1.175 121.633 122.820 -0.020 0.000 2.140 1116 A HA 0.266 4.580 4.320 -0.009 0.000 0.209 1116 A C 1.365 178.944 177.584 -0.009 0.000 1.181 1116 A CA -0.026 51.979 52.037 -0.054 0.000 0.824 1116 A CB -0.171 18.794 19.000 -0.057 0.000 0.879 1116 A HN 0.306 nan 8.150 nan 0.000 0.480 1117 S N 1.056 116.766 115.700 0.016 0.000 2.580 1117 S HA 0.333 4.797 4.470 -0.009 0.000 0.266 1117 S C 0.095 174.697 174.600 0.003 0.000 1.354 1117 S CA -0.190 58.020 58.200 0.017 0.000 1.008 1117 S CB 0.413 63.627 63.200 0.023 0.000 0.898 1117 S HN 0.610 nan 8.310 nan 0.000 0.555 1118 K N 0.569 120.971 120.400 0.003 0.000 2.270 1118 K HA 0.738 5.052 4.320 -0.009 0.000 0.255 1118 K C -0.320 176.279 176.600 -0.002 0.000 0.936 1118 K CA -0.880 55.405 56.287 -0.003 0.000 0.809 1118 K CB 1.025 33.522 32.500 -0.005 0.000 1.131 1118 K HN 0.428 nan 8.250 nan 0.000 0.427 1119 R N 0.000 120.497 120.500 -0.005 0.000 2.786 1119 R HA 0.000 4.334 4.340 -0.009 0.000 0.208 1119 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 1119 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535