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 1smy_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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 E N 2.713 122.918 120.200 0.009 0.000 2.212 2 E HA 0.684 5.030 4.350 -0.006 0.000 0.270 2 E C -0.973 175.633 176.600 0.010 0.000 0.956 2 E CA -0.657 55.757 56.400 0.024 0.000 0.825 2 E CB 2.510 32.236 29.700 0.044 0.000 1.167 2 E HN 0.640 nan 8.360 nan 0.000 0.400 3 I N 2.134 122.717 120.570 0.022 0.000 2.411 3 I HA 0.272 4.438 4.170 -0.006 0.000 0.284 3 I C 0.023 176.142 176.117 0.002 0.000 1.012 3 I CA -0.844 60.459 61.300 0.005 0.000 1.119 3 I CB 0.893 38.893 38.000 -0.001 0.000 1.261 3 I HN 0.064 nan 8.210 nan 0.000 0.448 4 K N 7.312 127.719 120.400 0.013 0.000 2.221 4 K HA 0.603 4.919 4.320 -0.006 0.000 0.258 4 K C -0.406 176.036 176.600 -0.263 0.000 0.944 4 K CA -0.532 55.694 56.287 -0.103 0.000 0.823 4 K CB 2.346 34.784 32.500 -0.104 0.000 1.113 4 K HN 0.754 nan 8.250 nan 0.000 0.431 5 R N 1.609 121.923 120.500 -0.310 0.000 2.892 5 R HA 0.650 4.987 4.340 -0.006 0.000 0.265 5 R C -0.602 175.463 176.300 -0.392 0.000 1.025 5 R CA -0.665 55.259 56.100 -0.293 0.000 0.982 5 R CB 0.836 31.099 30.300 -0.062 0.000 1.185 5 R HN 0.194 nan 8.270 nan 0.000 0.484 6 F N -0.756 119.238 119.950 0.073 0.000 2.782 6 F HA 0.740 5.263 4.527 -0.006 0.000 0.366 6 F C 0.548 176.389 175.800 0.068 0.000 1.171 6 F CA -0.780 57.258 58.000 0.063 0.000 1.064 6 F CB 0.594 39.630 39.000 0.060 0.000 1.449 6 F HN 0.879 nan 8.300 nan 0.000 0.520 7 G N 1.093 110.082 108.800 0.315 0.000 3.068 7 G HA2 -0.116 3.840 3.960 -0.006 0.000 0.685 7 G HA3 -0.116 3.840 3.960 -0.006 0.000 0.685 7 G C -0.907 174.081 174.900 0.147 0.000 1.142 7 G CA -0.726 44.491 45.100 0.196 0.000 0.977 7 G HN 0.806 nan 8.290 nan 0.000 0.567 8 R N 1.435 122.003 120.500 0.114 0.000 2.576 8 R HA 0.463 4.800 4.340 -0.006 0.000 0.283 8 R C -0.024 176.321 176.300 0.075 0.000 1.493 8 R CA -0.574 55.580 56.100 0.089 0.000 1.170 8 R CB 0.693 31.038 30.300 0.074 0.000 1.189 8 R HN 0.526 nan 8.270 nan 0.000 0.542 9 I N 2.644 123.261 120.570 0.078 0.000 2.460 9 I HA 0.316 4.483 4.170 -0.006 0.000 0.277 9 I C 0.201 176.353 176.117 0.058 0.000 1.057 9 I CA -1.126 60.212 61.300 0.064 0.000 1.179 9 I CB 1.090 39.132 38.000 0.071 0.000 1.329 9 I HN 0.170 nan 8.210 nan 0.000 0.478 10 R N 3.857 124.386 120.500 0.047 0.000 3.908 10 R HA -0.126 4.211 4.340 -0.006 0.000 0.299 10 R C -0.156 176.172 176.300 0.047 0.000 0.624 10 R CA 0.270 56.396 56.100 0.043 0.000 0.997 10 R CB -0.673 29.645 30.300 0.030 0.000 0.917 10 R HN 0.363 nan 8.270 nan 0.000 0.339 11 E N 2.808 123.048 120.200 0.066 0.000 1.909 11 E HA -0.081 4.265 4.350 -0.006 0.000 0.253 11 E C 1.182 177.831 176.600 0.081 0.000 1.268 11 E CA 0.190 56.643 56.400 0.088 0.000 0.999 11 E CB 0.146 29.919 29.700 0.122 0.000 1.072 11 E HN 0.427 nan 8.360 nan 0.000 0.428 12 V N 4.372 124.320 119.914 0.057 0.000 2.380 12 V HA -0.184 3.933 4.120 -0.006 0.000 0.251 12 V C 0.822 176.957 176.094 0.069 0.000 1.063 12 V CA 1.952 64.278 62.300 0.043 0.000 1.055 12 V CB -0.218 31.609 31.823 0.007 0.000 0.657 12 V HN 0.595 nan 8.190 nan 0.000 0.455 13 I N -2.653 117.990 120.570 0.122 0.000 2.607 13 I HA 0.617 4.784 4.170 -0.006 0.000 0.290 13 I C -2.789 173.442 176.117 0.191 0.000 1.129 13 I CA -2.403 58.985 61.300 0.147 0.000 1.042 13 I CB 1.576 39.673 38.000 0.163 0.000 1.242 13 I HN -0.083 nan 8.210 nan 0.000 0.421 14 P HA 0.165 nan 4.420 nan 0.000 0.271 14 P C -0.301 176.947 177.300 -0.086 0.000 1.233 14 P CA -0.465 62.649 63.100 0.023 0.000 0.789 14 P CB 0.409 32.113 31.700 0.006 0.000 0.951 15 L N 1.760 122.835 121.223 -0.246 0.000 2.492 15 L HA 0.133 4.469 4.340 -0.006 0.000 0.280 15 L C -1.708 175.025 176.870 -0.227 0.000 1.240 15 L CA -0.719 53.855 54.840 -0.443 0.000 0.831 15 L CB -1.390 40.448 42.059 -0.369 0.000 1.100 15 L HN 0.391 nan 8.230 nan 0.000 0.505 16 P HA 0.383 nan 4.420 nan 0.000 0.284 16 P C -2.646 174.595 177.300 -0.099 0.000 1.292 16 P CA -1.953 61.082 63.100 -0.108 0.000 0.800 16 P CB -0.383 31.267 31.700 -0.082 0.000 1.188 17 P HA 0.096 nan 4.420 nan 0.000 0.264 17 P C 0.408 177.670 177.300 -0.064 0.000 1.229 17 P CA 0.180 63.240 63.100 -0.067 0.000 0.780 17 P CB -0.092 31.576 31.700 -0.054 0.000 0.808 18 L N 2.553 123.735 121.223 -0.068 0.000 2.191 18 L HA -0.130 4.206 4.340 -0.006 0.000 0.212 18 L C 1.811 178.655 176.870 -0.044 0.000 1.103 18 L CA 1.981 56.786 54.840 -0.058 0.000 0.769 18 L CB -1.109 40.915 42.059 -0.058 0.000 0.908 18 L HN 0.315 nan 8.230 nan 0.000 0.438 19 T N -1.602 112.925 114.554 -0.045 0.000 3.086 19 T HA -0.024 4.323 4.350 -0.006 0.000 0.250 19 T C 1.640 176.321 174.700 -0.032 0.000 1.074 19 T CA -0.040 62.035 62.100 -0.041 0.000 0.988 19 T CB 0.060 68.899 68.868 -0.049 0.000 0.988 19 T HN 0.295 nan 8.240 nan 0.000 0.530 20 E N 2.034 122.216 120.200 -0.030 0.000 2.164 20 E HA -0.243 4.103 4.350 -0.006 0.000 0.206 20 E C 1.688 178.284 176.600 -0.005 0.000 1.032 20 E CA 1.526 57.914 56.400 -0.020 0.000 0.832 20 E CB -0.301 29.380 29.700 -0.032 0.000 0.742 20 E HN 0.440 nan 8.360 nan 0.000 0.460 21 I N 1.614 122.180 120.570 -0.008 0.000 2.118 21 I HA -0.330 3.837 4.170 -0.006 0.000 0.241 21 I C 2.790 178.917 176.117 0.017 0.000 1.070 21 I CA 1.687 62.991 61.300 0.006 0.000 1.327 21 I CB -0.625 37.376 38.000 0.002 0.000 1.034 21 I HN 0.131 nan 8.210 nan 0.000 0.405 22 Q N 0.046 119.840 119.800 -0.010 0.000 2.049 22 Q HA -0.035 4.301 4.340 -0.006 0.000 0.198 22 Q C 2.526 178.543 176.000 0.029 0.000 0.971 22 Q CA 1.357 57.143 55.803 -0.028 0.000 0.833 22 Q CB -1.047 27.615 28.738 -0.126 0.000 0.896 22 Q HN 0.406 nan 8.270 nan 0.000 0.434 23 V N 2.271 122.195 119.914 0.017 0.000 2.221 23 V HA -0.274 3.842 4.120 -0.006 0.000 0.244 23 V C 2.315 178.475 176.094 0.110 0.000 1.043 23 V CA 2.126 64.462 62.300 0.060 0.000 0.996 23 V CB -0.819 31.020 31.823 0.026 0.000 0.636 23 V HN 0.248 nan 8.190 nan 0.000 0.454 24 E N 0.431 120.671 120.200 0.066 0.000 2.068 24 E HA -0.270 4.076 4.350 -0.006 0.000 0.207 24 E C 2.477 179.128 176.600 0.087 0.000 1.032 24 E CA 1.981 58.417 56.400 0.061 0.000 0.839 24 E CB -1.161 28.554 29.700 0.026 0.000 0.758 24 E HN 0.555 nan 8.360 nan 0.000 0.457 25 S N -0.570 115.188 115.700 0.098 0.000 2.380 25 S HA -0.243 4.224 4.470 -0.006 0.000 0.229 25 S C 2.011 176.710 174.600 0.166 0.000 1.043 25 S CA 1.388 59.656 58.200 0.115 0.000 1.038 25 S CB -0.381 62.897 63.200 0.130 0.000 0.872 25 S HN 0.332 nan 8.310 nan 0.000 0.456 26 Y N 2.114 122.464 120.300 0.085 0.000 2.314 26 Y HA 0.066 4.612 4.550 -0.006 0.000 0.293 26 Y C 2.509 178.464 175.900 0.091 0.000 1.129 26 Y CA 1.624 59.803 58.100 0.131 0.000 1.201 26 Y CB -0.433 38.152 38.460 0.209 0.000 0.999 26 Y HN 0.296 nan 8.280 nan 0.000 0.541 27 R N 0.339 120.944 120.500 0.175 0.000 2.088 27 R HA -0.200 4.137 4.340 -0.006 0.000 0.232 27 R C 2.284 178.589 176.300 0.010 0.000 1.136 27 R CA 2.150 58.303 56.100 0.089 0.000 0.926 27 R CB -0.341 30.006 30.300 0.079 0.000 0.837 27 R HN 0.208 nan 8.270 nan 0.000 0.429 28 R N 0.165 120.665 120.500 0.000 0.000 2.105 28 R HA -0.106 4.230 4.340 -0.006 0.000 0.239 28 R C 2.419 178.658 176.300 -0.101 0.000 1.135 28 R CA 1.251 57.328 56.100 -0.038 0.000 0.967 28 R CB -0.461 29.822 30.300 -0.030 0.000 0.861 28 R HN 0.386 nan 8.270 nan 0.000 0.442 29 A N 1.981 124.726 122.820 -0.125 0.000 1.849 29 A HA -0.150 4.166 4.320 -0.006 0.000 0.217 29 A C 1.068 178.477 177.584 -0.291 0.000 1.202 29 A CA 1.296 53.198 52.037 -0.226 0.000 0.629 29 A CB -0.644 18.186 19.000 -0.283 0.000 0.834 29 A HN 0.250 nan 8.150 nan 0.000 0.447 30 L N -2.024 119.029 121.223 -0.284 0.000 2.353 30 L HA 0.419 4.755 4.340 -0.006 0.000 0.269 30 L C -0.155 176.677 176.870 -0.063 0.000 1.085 30 L CA -0.404 54.306 54.840 -0.217 0.000 0.938 30 L CB 0.643 42.573 42.059 -0.215 0.000 1.312 30 L HN 0.120 nan 8.230 nan 0.000 0.429 31 Q N 2.204 121.993 119.800 -0.019 0.000 3.025 31 Q HA 0.185 4.521 4.340 -0.006 0.000 0.251 31 Q C 1.038 177.156 176.000 0.197 0.000 1.348 31 Q CA 0.488 56.350 55.803 0.098 0.000 0.906 31 Q CB 0.651 29.466 28.738 0.129 0.000 1.764 31 Q HN 0.941 nan 8.270 nan 0.000 0.535 32 A N 1.197 124.075 122.820 0.097 0.000 1.864 32 A HA -0.104 4.212 4.320 -0.006 0.000 0.213 32 A C 1.731 179.305 177.584 -0.016 0.000 1.266 32 A CA 0.834 52.894 52.037 0.039 0.000 0.612 32 A CB -0.301 18.723 19.000 0.039 0.000 0.940 32 A HN 0.559 nan 8.150 nan 0.000 0.463 33 D N 0.400 120.806 120.400 0.009 0.000 2.254 33 D HA -0.129 4.508 4.640 -0.006 0.000 0.201 33 D C 0.577 176.868 176.300 -0.014 0.000 0.998 33 D CA 1.715 55.717 54.000 0.004 0.000 0.885 33 D CB -0.201 40.612 40.800 0.022 0.000 0.915 33 D HN 0.318 nan 8.370 nan 0.000 0.460 34 V N -1.846 118.056 119.914 -0.020 0.000 2.532 34 V HA 0.541 4.658 4.120 -0.006 0.000 0.295 34 V C -2.548 173.500 176.094 -0.076 0.000 1.041 34 V CA -1.961 60.322 62.300 -0.030 0.000 0.926 34 V CB 1.255 33.073 31.823 -0.008 0.000 0.992 34 V HN -0.198 nan 8.190 nan 0.000 0.457 35 P HA 0.276 nan 4.420 nan 0.000 0.270 35 P C -2.220 175.003 177.300 -0.129 0.000 1.223 35 P CA -1.230 61.801 63.100 -0.115 0.000 0.785 35 P CB -0.032 31.623 31.700 -0.074 0.000 0.923 36 P HA -0.206 nan 4.420 nan 0.000 0.218 36 P C 1.339 178.628 177.300 -0.018 0.000 1.146 36 P CA 1.202 64.234 63.100 -0.113 0.000 0.813 36 P CB 0.090 31.707 31.700 -0.138 0.000 0.778 37 E N 0.392 120.568 120.200 -0.040 0.000 2.085 37 E HA -0.156 4.190 4.350 -0.006 0.000 0.194 37 E C 0.527 177.127 176.600 -0.001 0.000 0.994 37 E CA 1.102 57.490 56.400 -0.020 0.000 0.801 37 E CB -0.623 29.060 29.700 -0.028 0.000 0.743 37 E HN 0.041 nan 8.360 nan 0.000 0.453 38 K N 0.504 120.903 120.400 -0.002 0.000 2.508 38 K HA -0.103 4.214 4.320 -0.006 0.000 0.273 38 K C 1.101 177.717 176.600 0.028 0.000 0.964 38 K CA 0.174 56.467 56.287 0.010 0.000 0.948 38 K CB 0.226 32.731 32.500 0.008 0.000 0.917 38 K HN -0.001 nan 8.250 nan 0.000 0.512 39 R N 1.443 121.957 120.500 0.022 0.000 2.100 39 R HA -0.027 4.310 4.340 -0.006 0.000 0.220 39 R C -0.005 176.309 176.300 0.024 0.000 1.091 39 R CA 0.951 57.065 56.100 0.024 0.000 0.986 39 R CB 0.065 30.375 30.300 0.015 0.000 0.888 39 R HN 0.603 nan 8.270 nan 0.000 0.444 40 E N 1.492 121.702 120.200 0.017 0.000 2.463 40 E HA -0.094 4.253 4.350 -0.006 0.000 0.248 40 E C -0.226 176.374 176.600 -0.000 0.000 1.106 40 E CA 0.583 56.983 56.400 0.001 0.000 0.946 40 E CB -0.101 29.596 29.700 -0.005 0.000 0.971 40 E HN 0.567 nan 8.360 nan 0.000 0.478 41 N N 0.880 119.563 118.700 -0.028 0.000 2.204 41 N HA 0.061 4.797 4.740 -0.006 0.000 0.219 41 N C 0.288 175.703 175.510 -0.158 0.000 1.151 41 N CA -0.325 52.688 53.050 -0.062 0.000 0.867 41 N CB 0.524 39.003 38.487 -0.014 0.000 1.043 41 N HN 0.016 nan 8.380 nan 0.000 0.516 42 V N 0.503 120.319 119.914 -0.163 0.000 3.816 42 V HA 0.293 4.409 4.120 -0.006 0.000 0.281 42 V C 1.850 177.743 176.094 -0.335 0.000 1.027 42 V CA 0.377 62.536 62.300 -0.234 0.000 1.032 42 V CB -0.202 31.505 31.823 -0.194 0.000 1.226 42 V HN 0.476 nan 8.190 nan 0.000 0.448 43 G N -0.306 108.255 108.800 -0.397 0.000 2.651 43 G HA2 -0.326 3.631 3.960 -0.006 0.000 0.315 43 G HA3 -0.326 3.631 3.960 -0.006 0.000 0.315 43 G C 0.560 175.101 174.900 -0.599 0.000 1.258 43 G CA 0.856 45.682 45.100 -0.455 0.000 1.002 43 G HN 0.642 nan 8.290 nan 0.000 0.551 44 I N 0.833 120.949 120.570 -0.756 0.000 2.053 44 I HA -0.211 3.956 4.170 -0.006 0.000 0.236 44 I C 2.897 178.354 176.117 -1.100 0.000 1.038 44 I CA 2.903 63.511 61.300 -1.154 0.000 1.304 44 I CB -0.925 36.402 38.000 -1.121 0.000 1.023 44 I HN 0.721 nan 8.210 nan 0.000 0.395 45 Q N 0.835 119.933 119.800 -1.170 0.000 2.173 45 Q HA -0.229 4.108 4.340 -0.006 0.000 0.208 45 Q C 2.045 177.750 176.000 -0.492 0.000 0.989 45 Q CA 2.535 57.723 55.803 -1.024 0.000 0.872 45 Q CB -0.527 27.735 28.738 -0.793 0.000 0.909 45 Q HN 0.526 nan 8.270 nan 0.000 0.420 46 A N 0.521 123.091 122.820 -0.417 0.000 1.841 46 A HA 0.034 4.350 4.320 -0.006 0.000 0.214 46 A C 2.401 179.847 177.584 -0.229 0.000 1.195 46 A CA 2.087 53.960 52.037 -0.273 0.000 0.611 46 A CB -1.499 17.319 19.000 -0.304 0.000 0.835 46 A HN 0.632 nan 8.150 nan 0.000 0.443 47 A N -1.365 121.269 122.820 -0.310 0.000 1.948 47 A HA -0.089 4.228 4.320 -0.006 0.000 0.220 47 A C 1.953 179.496 177.584 -0.070 0.000 1.177 47 A CA 1.785 53.691 52.037 -0.217 0.000 0.636 47 A CB -0.745 18.050 19.000 -0.342 0.000 0.815 47 A HN 0.444 nan 8.150 nan 0.000 0.449 48 F N -0.209 119.504 119.950 -0.395 0.000 2.010 48 F HA -0.140 4.384 4.527 -0.006 0.000 0.296 48 F C 2.406 178.198 175.800 -0.013 0.000 1.146 48 F CA 1.916 59.761 58.000 -0.257 0.000 1.181 48 F CB -0.831 37.773 39.000 -0.661 0.000 0.965 48 F HN 0.196 nan 8.300 nan 0.000 0.480 49 R N 0.728 121.258 120.500 0.050 0.000 2.133 49 R HA -0.242 4.095 4.340 -0.006 0.000 0.247 49 R C 2.065 178.420 176.300 0.092 0.000 1.151 49 R CA 1.863 58.015 56.100 0.086 0.000 0.971 49 R CB -0.757 29.569 30.300 0.042 0.000 0.866 49 R HN 0.291 nan 8.270 nan 0.000 0.447 50 E N -0.925 119.290 120.200 0.026 0.000 2.023 50 E HA -0.121 4.225 4.350 -0.006 0.000 0.196 50 E C 0.819 177.422 176.600 0.005 0.000 1.003 50 E CA 2.381 58.782 56.400 0.001 0.000 0.809 50 E CB -0.281 29.399 29.700 -0.033 0.000 0.755 50 E HN 0.373 nan 8.360 nan 0.000 0.449 51 T N 0.023 114.561 114.554 -0.027 0.000 3.186 51 T HA 0.188 4.535 4.350 -0.006 0.000 0.257 51 T C 0.579 175.204 174.700 -0.126 0.000 1.029 51 T CA -0.288 61.765 62.100 -0.079 0.000 0.916 51 T CB -0.204 68.588 68.868 -0.128 0.000 1.041 51 T HN 0.038 nan 8.240 nan 0.000 0.562 52 F N 2.317 122.206 119.950 -0.102 0.000 2.188 52 F HA 0.230 4.753 4.527 -0.006 0.000 0.289 52 F C -1.587 174.195 175.800 -0.029 0.000 1.082 52 F CA -0.521 57.426 58.000 -0.088 0.000 1.282 52 F CB -0.705 38.260 39.000 -0.058 0.000 1.060 52 F HN -0.026 nan 8.300 nan 0.000 0.493 53 P HA 0.023 nan 4.420 nan 0.000 0.262 53 P C -0.362 176.986 177.300 0.079 0.000 1.455 53 P CA 0.462 63.650 63.100 0.147 0.000 1.217 53 P CB -0.221 31.547 31.700 0.112 0.000 1.625 54 I N 2.227 122.833 120.570 0.060 0.000 2.293 54 I HA 0.047 4.213 4.170 -0.006 0.000 0.299 54 I C 0.583 176.715 176.117 0.025 0.000 1.153 54 I CA -0.097 61.214 61.300 0.018 0.000 1.302 54 I CB -0.124 37.868 38.000 -0.013 0.000 1.460 54 I HN 0.079 nan 8.210 nan 0.000 0.552 55 E N 7.478 127.696 120.200 0.030 0.000 1.892 55 E HA 0.038 4.384 4.350 -0.006 0.000 0.271 55 E C -0.596 176.020 176.600 0.027 0.000 1.146 55 E CA -0.089 56.332 56.400 0.035 0.000 1.096 55 E CB 0.149 29.880 29.700 0.051 0.000 1.155 55 E HN 0.515 nan 8.360 nan 0.000 0.458 56 E N 3.307 123.519 120.200 0.020 0.000 2.115 56 E HA 0.092 4.438 4.350 -0.006 0.000 0.282 56 E C -0.204 176.407 176.600 0.019 0.000 0.987 56 E CA -0.033 56.376 56.400 0.015 0.000 0.797 56 E CB 1.032 30.738 29.700 0.009 0.000 1.086 56 E HN 0.540 nan 8.360 nan 0.000 0.397 57 E N 3.260 123.471 120.200 0.019 0.000 2.513 57 E HA 0.102 4.448 4.350 -0.006 0.000 0.225 57 E C -0.563 176.046 176.600 0.016 0.000 1.019 57 E CA -0.168 56.243 56.400 0.019 0.000 1.041 57 E CB 0.433 30.146 29.700 0.021 0.000 2.093 57 E HN 0.485 nan 8.360 nan 0.000 0.551 58 D N 0.236 120.643 120.400 0.011 0.000 2.248 58 D HA 0.317 4.954 4.640 -0.006 0.000 0.246 58 D C -0.424 175.879 176.300 0.006 0.000 1.027 58 D CA -0.216 53.789 54.000 0.009 0.000 0.853 58 D CB 2.140 42.944 40.800 0.006 0.000 1.243 58 D HN 0.045 nan 8.370 nan 0.000 0.462 59 K N -0.396 120.008 120.400 0.007 0.000 2.595 59 K HA 0.212 4.529 4.320 -0.006 0.000 0.113 59 K C 0.242 176.845 176.600 0.006 0.000 1.480 59 K CA 0.488 56.778 56.287 0.005 0.000 1.012 59 K CB -0.022 32.482 32.500 0.006 0.000 1.477 59 K HN 0.658 nan 8.250 nan 0.000 0.347 60 G N 0.326 109.130 108.800 0.007 0.000 4.460 60 G HA2 0.047 4.004 3.960 -0.006 0.000 0.182 60 G HA3 0.047 4.004 3.960 -0.006 0.000 0.182 60 G C -1.081 173.824 174.900 0.009 0.000 1.512 60 G CA 0.104 45.208 45.100 0.007 0.000 0.856 60 G HN 0.037 nan 8.290 nan 0.000 0.289 61 K N 0.190 120.598 120.400 0.012 0.000 2.575 61 K HA 0.525 4.841 4.320 -0.006 0.000 0.271 61 K C -0.386 176.228 176.600 0.023 0.000 1.013 61 K CA 0.245 56.542 56.287 0.017 0.000 0.939 61 K CB 0.818 33.328 32.500 0.016 0.000 1.328 61 K HN 0.862 nan 8.250 nan 0.000 0.450 62 G N 0.531 109.346 108.800 0.026 0.000 3.187 62 G HA2 0.635 4.592 3.960 -0.006 0.000 0.175 62 G HA3 0.635 4.592 3.960 -0.006 0.000 0.175 62 G C 0.407 175.329 174.900 0.037 0.000 1.112 62 G CA 0.027 45.145 45.100 0.030 0.000 0.821 62 G HN 1.189 nan 8.290 nan 0.000 0.636 63 G N -1.164 107.654 108.800 0.031 0.000 2.138 63 G HA2 0.015 3.972 3.960 -0.006 0.000 0.193 63 G HA3 0.015 3.972 3.960 -0.006 0.000 0.193 63 G C 0.221 175.135 174.900 0.024 0.000 0.998 63 G CA 0.269 45.388 45.100 0.031 0.000 0.668 63 G HN 1.254 nan 8.290 nan 0.000 0.516 64 L N 1.019 122.254 121.223 0.019 0.000 2.499 64 L HA 0.551 4.888 4.340 -0.006 0.000 0.273 64 L C 0.147 177.017 176.870 0.001 0.000 1.195 64 L CA 0.350 55.190 54.840 0.001 0.000 0.882 64 L CB 1.123 43.185 42.059 0.006 0.000 1.133 64 L HN 0.292 nan 8.230 nan 0.000 0.483 65 V N 6.808 126.711 119.914 -0.017 0.000 2.595 65 V HA 0.223 4.340 4.120 -0.006 0.000 0.269 65 V C -0.832 175.267 176.094 0.008 0.000 0.982 65 V CA -0.488 61.816 62.300 0.006 0.000 0.873 65 V CB 1.135 32.962 31.823 0.007 0.000 1.051 65 V HN 0.559 nan 8.190 nan 0.000 0.466 66 L N 3.796 125.046 121.223 0.044 0.000 2.262 66 L HA 0.685 5.021 4.340 -0.006 0.000 0.288 66 L C -0.087 176.902 176.870 0.197 0.000 1.035 66 L CA 0.403 55.296 54.840 0.089 0.000 0.820 66 L CB 0.790 42.898 42.059 0.082 0.000 1.204 66 L HN 0.548 nan 8.230 nan 0.000 0.424 67 D N 3.105 123.591 120.400 0.143 0.000 2.506 67 D HA 0.367 5.003 4.640 -0.006 0.000 0.272 67 D C -1.170 175.094 176.300 -0.060 0.000 1.214 67 D CA 0.170 54.230 54.000 0.100 0.000 1.067 67 D CB 0.822 41.619 40.800 -0.005 0.000 1.117 67 D HN 0.345 nan 8.370 nan 0.000 0.578 68 F N 0.571 120.158 119.950 -0.605 0.000 2.467 68 F HA 0.429 4.953 4.527 -0.006 0.000 0.336 68 F C -0.756 174.787 175.800 -0.429 0.000 1.123 68 F CA -0.563 56.762 58.000 -1.125 0.000 0.964 68 F CB 0.572 38.488 39.000 -1.806 0.000 1.136 68 F HN 0.248 nan 8.300 nan 0.000 0.447 69 L N 2.576 123.121 121.223 -1.131 0.000 2.546 69 L HA 0.412 4.749 4.340 -0.006 0.000 0.185 69 L C -0.092 176.017 176.870 -1.269 0.000 1.247 69 L CA 0.064 54.365 54.840 -0.899 0.000 0.848 69 L CB -0.076 41.748 42.059 -0.393 0.000 1.133 69 L HN 0.473 nan 8.230 nan 0.000 0.504 70 E N -0.897 118.852 120.200 -0.751 0.000 2.356 70 E HA 0.311 4.658 4.350 -0.006 0.000 0.275 70 E C -1.869 174.961 176.600 0.385 0.000 0.904 70 E CA -0.678 55.564 56.400 -0.264 0.000 0.757 70 E CB 2.359 31.962 29.700 -0.162 0.000 1.232 70 E HN 0.140 nan 8.360 nan 0.000 0.442 71 Y N -0.109 120.489 120.300 0.496 0.000 2.331 71 Y HA 0.644 5.191 4.550 -0.006 0.000 0.338 71 Y C -0.568 175.428 175.900 0.160 0.000 0.976 71 Y CA -1.086 57.242 58.100 0.380 0.000 1.137 71 Y CB 0.825 39.287 38.460 0.004 0.000 1.172 71 Y HN 0.381 nan 8.280 nan 0.000 0.478 72 R N 4.126 124.707 120.500 0.136 0.000 2.510 72 R HA 0.636 4.973 4.340 -0.006 0.000 0.294 72 R C -2.062 174.261 176.300 0.039 0.000 1.056 72 R CA -0.764 55.342 56.100 0.009 0.000 0.918 72 R CB 1.045 31.353 30.300 0.014 0.000 1.187 72 R HN 0.589 nan 8.270 nan 0.000 0.437 73 L N 1.107 122.315 121.223 -0.025 0.000 2.578 73 L HA 0.847 5.183 4.340 -0.006 0.000 0.259 73 L C 1.283 178.106 176.870 -0.078 0.000 1.082 73 L CA 0.130 54.907 54.840 -0.105 0.000 0.843 73 L CB 1.415 43.432 42.059 -0.069 0.000 1.535 73 L HN 0.966 nan 8.230 nan 0.000 0.510 74 G N -1.462 107.282 108.800 -0.093 0.000 4.040 74 G HA2 -0.006 3.950 3.960 -0.006 0.000 0.192 74 G HA3 -0.006 3.950 3.960 -0.006 0.000 0.192 74 G C -0.299 174.583 174.900 -0.030 0.000 0.963 74 G CA -0.373 44.703 45.100 -0.040 0.000 0.886 74 G HN 0.440 nan 8.290 nan 0.000 0.333 75 E N 2.174 122.342 120.200 -0.052 0.000 2.149 75 E HA 0.448 4.794 4.350 -0.006 0.000 0.255 75 E C -2.747 173.837 176.600 -0.025 0.000 0.888 75 E CA -1.748 54.637 56.400 -0.024 0.000 0.742 75 E CB 2.339 32.028 29.700 -0.019 0.000 1.164 75 E HN 0.136 nan 8.360 nan 0.000 0.422 76 P HA 0.026 nan 4.420 nan 0.000 0.268 76 P C -1.969 175.383 177.300 0.087 0.000 1.204 76 P CA -0.973 62.155 63.100 0.046 0.000 0.768 76 P CB 0.438 32.243 31.700 0.177 0.000 0.842 77 P HA -0.155 nan 4.420 nan 0.000 0.214 77 P C -0.128 177.295 177.300 0.206 0.000 1.169 77 P CA 1.658 64.861 63.100 0.172 0.000 0.908 77 P CB 0.025 31.870 31.700 0.242 0.000 0.791 78 F N -2.778 117.218 119.950 0.078 0.000 2.654 78 F HA 0.490 5.014 4.527 -0.006 0.000 0.334 78 F C -2.216 173.656 175.800 0.119 0.000 1.078 78 F CA -2.411 55.636 58.000 0.077 0.000 0.986 78 F CB 0.714 39.747 39.000 0.055 0.000 1.362 78 F HN -0.247 nan 8.300 nan 0.000 0.498 79 P HA 0.277 nan 4.420 nan 0.000 0.285 79 P C -0.614 176.642 177.300 -0.073 0.000 1.269 79 P CA -0.371 62.752 63.100 0.039 0.000 0.844 79 P CB 1.584 33.289 31.700 0.008 0.000 1.094 80 Q N 0.707 120.279 119.800 -0.380 0.000 1.991 80 Q HA -0.275 4.061 4.340 -0.006 0.000 0.213 80 Q C 1.422 177.349 176.000 -0.122 0.000 1.022 80 Q CA 2.589 58.161 55.803 -0.385 0.000 0.877 80 Q CB -0.826 27.656 28.738 -0.427 0.000 0.970 80 Q HN 0.511 nan 8.270 nan 0.000 0.414 81 D N 0.315 120.673 120.400 -0.071 0.000 2.133 81 D HA -0.185 4.451 4.640 -0.006 0.000 0.192 81 D C 1.870 178.189 176.300 0.032 0.000 1.001 81 D CA 1.311 55.319 54.000 0.012 0.000 0.844 81 D CB -0.197 40.631 40.800 0.047 0.000 0.944 81 D HN 0.218 nan 8.370 nan 0.000 0.447 82 E N -0.154 120.077 120.200 0.051 0.000 2.085 82 E HA -0.149 4.197 4.350 -0.006 0.000 0.194 82 E C 2.286 178.907 176.600 0.035 0.000 0.994 82 E CA 0.737 57.191 56.400 0.090 0.000 0.801 82 E CB -0.349 29.490 29.700 0.231 0.000 0.743 82 E HN 0.391 nan 8.360 nan 0.000 0.453 83 C N 0.292 119.610 119.300 0.030 0.000 2.419 83 C HA -0.024 4.433 4.460 -0.006 0.000 0.283 83 C C 2.567 177.557 174.990 0.001 0.000 1.373 83 C CA 0.169 59.191 59.018 0.007 0.000 1.781 83 C CB -0.897 26.885 27.740 0.071 0.000 1.886 83 C HN 0.317 nan 8.230 nan 0.000 0.520 84 R N 0.367 120.873 120.500 0.011 0.000 2.105 84 R HA -0.016 4.321 4.340 -0.006 0.000 0.214 84 R C 2.242 178.556 176.300 0.022 0.000 1.091 84 R CA 0.699 56.810 56.100 0.019 0.000 1.007 84 R CB -0.183 30.138 30.300 0.035 0.000 0.912 84 R HN 0.343 nan 8.270 nan 0.000 0.450 85 E N 1.098 121.308 120.200 0.017 0.000 2.051 85 E HA -0.085 4.262 4.350 -0.006 0.000 0.192 85 E C -0.122 176.482 176.600 0.006 0.000 0.991 85 E CA 1.473 57.879 56.400 0.010 0.000 0.799 85 E CB 0.105 29.804 29.700 -0.003 0.000 0.748 85 E HN -0.125 nan 8.360 nan 0.000 0.449 86 K N 0.352 120.741 120.400 -0.018 0.000 2.090 86 K HA 0.202 4.518 4.320 -0.006 0.000 0.250 86 K C -0.721 175.846 176.600 -0.054 0.000 1.004 86 K CA -0.024 56.231 56.287 -0.053 0.000 0.919 86 K CB 0.851 33.273 32.500 -0.129 0.000 1.045 86 K HN -0.125 nan 8.250 nan 0.000 0.471 87 D N 1.163 121.527 120.400 -0.061 0.000 2.943 87 D HA 0.188 4.825 4.640 -0.006 0.000 0.249 87 D C -0.851 175.407 176.300 -0.070 0.000 1.231 87 D CA 0.045 54.017 54.000 -0.046 0.000 0.979 87 D CB -0.148 40.636 40.800 -0.026 0.000 1.053 87 D HN 0.100 nan 8.370 nan 0.000 0.504 88 L N 0.254 121.419 121.223 -0.096 0.000 2.334 88 L HA 0.451 4.787 4.340 -0.006 0.000 0.276 88 L C 0.399 177.245 176.870 -0.039 0.000 1.014 88 L CA -0.833 53.936 54.840 -0.119 0.000 0.815 88 L CB 1.974 43.875 42.059 -0.263 0.000 1.268 88 L HN -0.054 nan 8.230 nan 0.000 0.428 89 T N 1.469 116.006 114.554 -0.028 0.000 2.723 89 T HA 0.090 4.436 4.350 -0.006 0.000 0.297 89 T C -0.287 174.441 174.700 0.047 0.000 0.925 89 T CA -0.058 62.052 62.100 0.016 0.000 1.030 89 T CB -0.239 68.618 68.868 -0.018 0.000 0.905 89 T HN 0.230 nan 8.240 nan 0.000 0.502 90 Y N 5.063 125.347 120.300 -0.027 0.000 2.802 90 Y HA 0.087 4.634 4.550 -0.006 0.000 0.351 90 Y C 0.419 176.294 175.900 -0.041 0.000 1.237 90 Y CA -0.046 58.048 58.100 -0.010 0.000 1.599 90 Y CB -0.387 38.086 38.460 0.020 0.000 1.214 90 Y HN 0.595 nan 8.280 nan 0.000 0.520 91 Q N 4.048 123.627 119.800 -0.369 0.000 2.451 91 Q HA 0.843 5.180 4.340 -0.006 0.000 0.281 91 Q C -1.286 174.493 176.000 -0.369 0.000 1.099 91 Q CA -1.293 54.272 55.803 -0.396 0.000 0.806 91 Q CB 2.163 30.782 28.738 -0.197 0.000 1.419 91 Q HN 0.704 nan 8.270 nan 0.000 0.427 92 A N 1.479 124.130 122.820 -0.281 0.000 2.337 92 A HA 0.819 5.135 4.320 -0.006 0.000 0.331 92 A C -2.566 174.973 177.584 -0.074 0.000 1.137 92 A CA -1.654 50.276 52.037 -0.178 0.000 0.807 92 A CB 0.783 19.681 19.000 -0.170 0.000 1.250 92 A HN 0.357 nan 8.150 nan 0.000 0.468 93 P HA 0.490 nan 4.420 nan 0.000 0.276 93 P C -1.136 176.021 177.300 -0.239 0.000 1.261 93 P CA -0.260 62.775 63.100 -0.108 0.000 0.800 93 P CB 0.658 32.209 31.700 -0.249 0.000 1.066 94 L N 2.628 123.711 121.223 -0.232 0.000 2.568 94 L HA 0.434 4.770 4.340 -0.006 0.000 0.262 94 L C -1.972 174.948 176.870 0.083 0.000 0.980 94 L CA -0.617 54.161 54.840 -0.103 0.000 0.882 94 L CB 0.352 42.433 42.059 0.037 0.000 1.198 94 L HN 0.245 nan 8.230 nan 0.000 0.425 95 Y N 3.044 123.488 120.300 0.240 0.000 2.327 95 Y HA 0.934 5.481 4.550 -0.006 0.000 0.325 95 Y C -0.116 175.972 175.900 0.314 0.000 0.999 95 Y CA -1.415 56.857 58.100 0.287 0.000 1.195 95 Y CB 0.351 38.987 38.460 0.293 0.000 1.132 95 Y HN 0.653 nan 8.280 nan 0.000 0.455 96 A N 3.993 127.179 122.820 0.610 0.000 2.256 96 A HA 0.768 5.085 4.320 -0.006 0.000 0.318 96 A C -0.037 177.819 177.584 0.454 0.000 1.103 96 A CA -1.269 51.155 52.037 0.645 0.000 0.860 96 A CB 0.763 20.416 19.000 1.088 0.000 1.182 96 A HN 0.814 nan 8.150 nan 0.000 0.501 97 R N 0.129 120.822 120.500 0.321 0.000 2.265 97 R HA 0.516 4.852 4.340 -0.006 0.000 0.314 97 R C -1.044 175.334 176.300 0.130 0.000 1.053 97 R CA -0.015 56.173 56.100 0.147 0.000 0.931 97 R CB 0.513 30.820 30.300 0.012 0.000 1.024 97 R HN 0.587 nan 8.270 nan 0.000 0.457 98 L N 2.242 123.548 121.223 0.138 0.000 2.286 98 L HA 0.467 4.803 4.340 -0.006 0.000 0.265 98 L C -0.574 176.337 176.870 0.067 0.000 1.012 98 L CA -0.745 54.186 54.840 0.151 0.000 0.818 98 L CB 2.012 44.191 42.059 0.201 0.000 1.337 98 L HN 0.654 nan 8.230 nan 0.000 0.438 99 Q N 1.753 121.589 119.800 0.061 0.000 2.638 99 Q HA 0.399 4.736 4.340 -0.006 0.000 0.227 99 Q C -1.801 174.198 176.000 -0.002 0.000 0.842 99 Q CA -0.788 55.025 55.803 0.016 0.000 1.095 99 Q CB 0.770 29.502 28.738 -0.010 0.000 1.595 99 Q HN 0.430 nan 8.270 nan 0.000 0.511 100 L N 1.233 122.433 121.223 -0.037 0.000 2.307 100 L HA 0.749 5.085 4.340 -0.006 0.000 0.282 100 L C -0.668 176.062 176.870 -0.234 0.000 1.051 100 L CA -0.603 54.176 54.840 -0.102 0.000 0.804 100 L CB 0.787 42.784 42.059 -0.104 0.000 1.197 100 L HN 0.577 nan 8.230 nan 0.000 0.431 101 I N 1.667 122.099 120.570 -0.230 0.000 3.223 101 I HA 0.495 4.662 4.170 -0.006 0.000 0.317 101 I C 0.127 175.967 176.117 -0.463 0.000 1.050 101 I CA -0.325 60.822 61.300 -0.255 0.000 1.069 101 I CB 0.539 38.486 38.000 -0.087 0.000 1.406 101 I HN 0.663 nan 8.210 nan 0.000 0.596 102 H N 1.247 120.325 119.070 0.015 0.000 2.806 102 H HA 0.318 4.870 4.556 -0.006 0.000 0.367 102 H C 0.319 175.654 175.328 0.011 0.000 1.136 102 H CA -0.666 55.390 56.048 0.012 0.000 1.178 102 H CB 2.439 32.206 29.762 0.009 0.000 1.718 102 H HN 0.362 nan 8.280 nan 0.000 0.540 103 K N 0.706 121.188 120.400 0.138 0.000 2.362 103 K HA -0.033 4.283 4.320 -0.006 0.000 0.200 103 K C 0.140 176.782 176.600 0.070 0.000 1.046 103 K CA 0.815 57.148 56.287 0.078 0.000 0.952 103 K CB 0.290 32.825 32.500 0.057 0.000 0.753 103 K HN 0.582 nan 8.250 nan 0.000 0.466 104 D N -0.083 120.370 120.400 0.088 0.000 2.475 104 D HA 0.083 4.719 4.640 -0.006 0.000 0.286 104 D C 0.088 176.425 176.300 0.062 0.000 1.205 104 D CA -0.085 53.943 54.000 0.046 0.000 1.092 104 D CB 0.264 41.063 40.800 -0.002 0.000 1.147 104 D HN -0.199 nan 8.370 nan 0.000 0.575 105 T N -0.415 114.156 114.554 0.028 0.000 2.907 105 T HA 0.527 4.874 4.350 -0.006 0.000 0.298 105 T C 0.404 175.142 174.700 0.064 0.000 1.017 105 T CA 0.119 62.241 62.100 0.036 0.000 1.118 105 T CB 0.797 69.671 68.868 0.011 0.000 0.948 105 T HN 0.650 nan 8.240 nan 0.000 0.531 106 G N 1.454 110.313 108.800 0.099 0.000 2.617 106 G HA2 0.177 4.133 3.960 -0.006 0.000 0.686 106 G HA3 0.177 4.133 3.960 -0.006 0.000 0.686 106 G C -0.889 174.158 174.900 0.246 0.000 1.214 106 G CA -0.616 44.578 45.100 0.158 0.000 0.796 106 G HN 1.285 nan 8.290 nan 0.000 0.654 107 L N -0.891 120.428 121.223 0.160 0.000 2.392 107 L HA 0.561 4.898 4.340 -0.006 0.000 0.262 107 L C 0.096 176.991 176.870 0.042 0.000 1.498 107 L CA -1.048 53.819 54.840 0.045 0.000 0.820 107 L CB 0.516 42.578 42.059 0.005 0.000 0.990 107 L HN 0.524 nan 8.230 nan 0.000 0.520 108 I N 2.010 122.631 120.570 0.086 0.000 2.664 108 I HA 0.004 4.170 4.170 -0.006 0.000 0.284 108 I C 0.681 176.816 176.117 0.030 0.000 1.154 108 I CA 0.598 61.940 61.300 0.070 0.000 1.402 108 I CB 0.614 38.680 38.000 0.111 0.000 1.395 108 I HN 0.601 nan 8.210 nan 0.000 0.545 109 K N 6.699 127.113 120.400 0.023 0.000 2.291 109 K HA 0.134 4.450 4.320 -0.006 0.000 0.242 109 K C 0.032 176.646 176.600 0.022 0.000 1.098 109 K CA -0.505 55.792 56.287 0.016 0.000 1.036 109 K CB 0.330 32.833 32.500 0.005 0.000 1.655 109 K HN 0.391 nan 8.250 nan 0.000 0.432 110 E N 4.032 124.250 120.200 0.030 0.000 1.852 110 E HA -0.021 4.325 4.350 -0.006 0.000 0.276 110 E C 0.096 176.719 176.600 0.039 0.000 1.163 110 E CA 0.075 56.493 56.400 0.030 0.000 1.117 110 E CB -0.162 29.556 29.700 0.029 0.000 1.124 110 E HN 0.525 nan 8.360 nan 0.000 0.458 111 D N 2.099 122.517 120.400 0.029 0.000 2.958 111 D HA -0.255 4.382 4.640 -0.006 0.000 0.309 111 D C 0.149 176.487 176.300 0.062 0.000 1.093 111 D CA 1.648 55.667 54.000 0.032 0.000 1.071 111 D CB 0.059 40.859 40.800 0.001 0.000 1.220 111 D HN 0.483 nan 8.370 nan 0.000 0.496 112 E N -0.385 119.833 120.200 0.029 0.000 2.227 112 E HA 0.511 4.857 4.350 -0.006 0.000 0.268 112 E C -0.179 176.492 176.600 0.119 0.000 0.990 112 E CA -0.756 55.681 56.400 0.062 0.000 0.856 112 E CB 2.390 31.977 29.700 -0.188 0.000 1.159 112 E HN 0.138 nan 8.360 nan 0.000 0.401 113 V N -0.678 119.378 119.914 0.236 0.000 2.757 113 V HA 0.254 4.370 4.120 -0.006 0.000 0.262 113 V C -0.725 175.559 176.094 0.317 0.000 0.971 113 V CA -1.130 61.270 62.300 0.167 0.000 0.906 113 V CB -0.462 31.411 31.823 0.083 0.000 1.056 113 V HN 0.504 nan 8.190 nan 0.000 0.489 114 F N 4.449 124.561 119.950 0.269 0.000 2.468 114 F HA 0.774 5.298 4.527 -0.006 0.000 0.356 114 F C -0.143 175.668 175.800 0.018 0.000 1.167 114 F CA -1.712 56.439 58.000 0.252 0.000 1.135 114 F CB -0.238 38.984 39.000 0.371 0.000 1.197 114 F HN 0.451 nan 8.300 nan 0.000 0.569 115 L N 1.178 122.440 121.223 0.065 0.000 2.362 115 L HA 1.028 5.365 4.340 -0.006 0.000 0.275 115 L C 0.094 176.859 176.870 -0.176 0.000 0.998 115 L CA -1.038 53.746 54.840 -0.092 0.000 0.820 115 L CB 1.476 43.502 42.059 -0.055 0.000 1.270 115 L HN 0.989 nan 8.230 nan 0.000 0.415 116 G N 1.374 109.988 108.800 -0.310 0.000 3.450 116 G HA2 -0.157 3.800 3.960 -0.006 0.000 0.668 116 G HA3 -0.157 3.800 3.960 -0.006 0.000 0.668 116 G C -0.809 173.856 174.900 -0.392 0.000 0.941 116 G CA -0.626 44.283 45.100 -0.319 0.000 0.766 116 G HN 0.948 nan 8.290 nan 0.000 0.451 117 H N 2.957 121.964 119.070 -0.105 0.000 2.685 117 H HA 0.299 4.851 4.556 -0.006 0.000 0.286 117 H C 1.146 176.342 175.328 -0.219 0.000 1.102 117 H CA -0.330 55.643 56.048 -0.125 0.000 1.254 117 H CB 0.813 30.523 29.762 -0.086 0.000 1.397 117 H HN 0.729 nan 8.280 nan 0.000 0.473 118 I N 1.426 121.903 120.570 -0.155 0.000 2.395 118 I HA 0.422 4.588 4.170 -0.006 0.000 0.289 118 I C -2.901 173.033 176.117 -0.305 0.000 1.023 118 I CA -2.551 58.592 61.300 -0.262 0.000 1.350 118 I CB 1.048 38.947 38.000 -0.169 0.000 1.409 118 I HN 0.071 nan 8.210 nan 0.000 0.507 119 P HA 0.363 nan 4.420 nan 0.000 0.272 119 P C -0.467 176.626 177.300 -0.345 0.000 1.230 119 P CA -0.216 62.588 63.100 -0.494 0.000 0.788 119 P CB 0.888 32.179 31.700 -0.683 0.000 0.949 120 L N 1.055 122.074 121.223 -0.339 0.000 2.331 120 L HA 0.560 4.896 4.340 -0.006 0.000 0.268 120 L C 0.434 177.385 176.870 0.135 0.000 1.015 120 L CA -1.051 53.762 54.840 -0.045 0.000 0.807 120 L CB 1.239 43.252 42.059 -0.076 0.000 1.293 120 L HN 0.306 nan 8.230 nan 0.000 0.451 121 M N 0.479 120.289 119.600 0.350 0.000 2.209 121 M HA 0.288 4.765 4.480 -0.006 0.000 0.355 121 M C -0.283 176.204 176.300 0.311 0.000 1.171 121 M CA -0.296 55.290 55.300 0.477 0.000 1.069 121 M CB 1.375 34.116 32.600 0.234 0.000 1.622 121 M HN 0.574 nan 8.290 nan 0.000 0.459 122 T N 3.016 117.720 114.554 0.250 0.000 2.855 122 T HA 0.006 4.353 4.350 -0.006 0.000 0.314 122 T C 1.206 175.942 174.700 0.060 0.000 1.077 122 T CA -0.463 61.711 62.100 0.124 0.000 1.095 122 T CB 0.513 69.412 68.868 0.052 0.000 0.987 122 T HN 0.631 nan 8.240 nan 0.000 0.546 123 E N 1.243 121.459 120.200 0.026 0.000 2.209 123 E HA -0.167 4.180 4.350 -0.006 0.000 0.196 123 E C 1.798 178.387 176.600 -0.019 0.000 0.993 123 E CA 1.603 58.007 56.400 0.005 0.000 0.819 123 E CB -0.173 29.516 29.700 -0.019 0.000 0.745 123 E HN 0.822 nan 8.360 nan 0.000 0.477 124 D N -1.720 118.659 120.400 -0.036 0.000 2.213 124 D HA 0.005 4.642 4.640 -0.006 0.000 0.205 124 D C 1.448 177.706 176.300 -0.070 0.000 0.961 124 D CA 1.267 55.235 54.000 -0.054 0.000 0.853 124 D CB 0.216 40.978 40.800 -0.063 0.000 0.967 124 D HN 0.160 nan 8.370 nan 0.000 0.496 125 G N -0.521 108.226 108.800 -0.089 0.000 2.813 125 G HA2 -0.163 3.794 3.960 -0.006 0.000 0.194 125 G HA3 -0.163 3.794 3.960 -0.006 0.000 0.194 125 G C 0.551 175.263 174.900 -0.312 0.000 1.010 125 G CA 0.148 45.153 45.100 -0.158 0.000 0.771 125 G HN 0.677 nan 8.290 nan 0.000 0.485 126 S N -0.129 115.426 115.700 -0.242 0.000 2.625 126 S HA 0.831 5.298 4.470 -0.006 0.000 0.262 126 S C 0.054 174.530 174.600 -0.206 0.000 1.223 126 S CA -0.320 57.694 58.200 -0.310 0.000 0.993 126 S CB 1.074 64.178 63.200 -0.160 0.000 1.051 126 S HN 0.398 nan 8.310 nan 0.000 0.562 127 F N -1.235 118.693 119.950 -0.037 0.000 2.664 127 F HA 0.608 5.132 4.527 -0.006 0.000 0.329 127 F C -0.516 175.320 175.800 0.060 0.000 1.090 127 F CA -1.436 56.587 58.000 0.037 0.000 0.978 127 F CB 1.930 40.974 39.000 0.072 0.000 1.378 127 F HN 0.364 nan 8.300 nan 0.000 0.495 128 I N 2.421 123.207 120.570 0.360 0.000 2.563 128 I HA 0.193 4.359 4.170 -0.006 0.000 0.276 128 I C -0.575 175.658 176.117 0.194 0.000 1.074 128 I CA -0.196 61.233 61.300 0.215 0.000 1.124 128 I CB 0.957 39.062 38.000 0.176 0.000 1.225 128 I HN 0.441 nan 8.210 nan 0.000 0.482 129 I N 4.022 124.696 120.570 0.172 0.000 4.809 129 I HA 0.089 4.256 4.170 -0.006 0.000 0.209 129 I C 1.967 178.131 176.117 0.078 0.000 0.969 129 I CA 0.660 62.044 61.300 0.141 0.000 1.498 129 I CB -0.416 37.697 38.000 0.188 0.000 1.359 129 I HN 0.454 nan 8.210 nan 0.000 0.433 130 N N 0.576 119.313 118.700 0.062 0.000 2.030 130 N HA -0.080 4.657 4.740 -0.006 0.000 0.194 130 N C 1.433 176.950 175.510 0.011 0.000 1.074 130 N CA 2.002 55.069 53.050 0.029 0.000 0.860 130 N CB -0.809 37.697 38.487 0.032 0.000 1.055 130 N HN 0.567 nan 8.380 nan 0.000 0.429 131 G N -1.481 107.315 108.800 -0.006 0.000 2.801 131 G HA2 0.517 4.474 3.960 -0.006 0.000 0.213 131 G HA3 0.517 4.474 3.960 -0.006 0.000 0.213 131 G C -0.099 174.773 174.900 -0.046 0.000 1.052 131 G CA 0.506 45.594 45.100 -0.020 0.000 0.868 131 G HN 0.566 nan 8.290 nan 0.000 0.589 132 A N 0.403 123.173 122.820 -0.083 0.000 2.330 132 A HA 0.653 4.970 4.320 -0.006 0.000 0.329 132 A C -1.282 176.258 177.584 -0.073 0.000 1.135 132 A CA -0.554 51.392 52.037 -0.151 0.000 0.817 132 A CB 1.049 19.822 19.000 -0.379 0.000 1.269 132 A HN 0.022 nan 8.150 nan 0.000 0.469 133 D N 0.819 121.167 120.400 -0.086 0.000 2.312 133 D HA 0.474 5.110 4.640 -0.006 0.000 0.252 133 D C 0.006 176.283 176.300 -0.040 0.000 1.150 133 D CA 0.404 54.385 54.000 -0.031 0.000 0.870 133 D CB 0.992 41.760 40.800 -0.054 0.000 1.153 133 D HN 0.421 nan 8.370 nan 0.000 0.457 134 R N 0.996 121.517 120.500 0.034 0.000 2.787 134 R HA 0.710 5.047 4.340 -0.006 0.000 0.271 134 R C -1.145 175.110 176.300 -0.075 0.000 0.993 134 R CA -0.770 55.343 56.100 0.022 0.000 0.993 134 R CB 1.444 31.806 30.300 0.103 0.000 1.155 134 R HN 0.190 nan 8.270 nan 0.000 0.486 135 V N 3.505 123.341 119.914 -0.130 0.000 2.914 135 V HA 0.497 4.614 4.120 -0.006 0.000 0.314 135 V C -0.647 175.364 176.094 -0.138 0.000 1.084 135 V CA -0.932 61.247 62.300 -0.201 0.000 0.963 135 V CB 2.163 33.889 31.823 -0.162 0.000 1.025 135 V HN 0.574 nan 8.190 nan 0.000 0.432 136 I N 3.351 123.786 120.570 -0.225 0.000 2.312 136 I HA 0.339 4.506 4.170 -0.006 0.000 0.290 136 I C 0.004 176.079 176.117 -0.069 0.000 1.008 136 I CA -0.337 60.865 61.300 -0.164 0.000 1.226 136 I CB 1.473 39.373 38.000 -0.167 0.000 1.371 136 I HN 0.282 nan 8.210 nan 0.000 0.468 137 V N 6.234 126.125 119.914 -0.039 0.000 2.583 137 V HA 0.222 4.339 4.120 -0.006 0.000 0.287 137 V C 0.944 177.032 176.094 -0.009 0.000 1.051 137 V CA -0.501 61.774 62.300 -0.041 0.000 1.010 137 V CB 1.325 33.104 31.823 -0.073 0.000 0.988 137 V HN 0.927 nan 8.190 nan 0.000 0.478 138 S N 4.255 119.952 115.700 -0.006 0.000 2.617 138 S HA 0.461 4.927 4.470 -0.006 0.000 0.259 138 S C -0.380 174.237 174.600 0.027 0.000 1.301 138 S CA -0.355 57.859 58.200 0.024 0.000 0.984 138 S CB 1.298 64.512 63.200 0.023 0.000 0.954 138 S HN 0.799 nan 8.310 nan 0.000 0.572 139 Q N -0.640 119.186 119.800 0.044 0.000 2.683 139 Q HA 0.741 5.078 4.340 -0.006 0.000 0.302 139 Q C -1.554 174.503 176.000 0.094 0.000 1.042 139 Q CA -1.011 54.822 55.803 0.051 0.000 0.773 139 Q CB 1.822 30.578 28.738 0.030 0.000 1.508 139 Q HN 0.866 nan 8.270 nan 0.000 0.459 140 I N -1.015 119.634 120.570 0.131 0.000 2.865 140 I HA 0.678 4.844 4.170 -0.006 0.000 0.302 140 I C -0.855 175.450 176.117 0.313 0.000 1.140 140 I CA -0.808 60.628 61.300 0.226 0.000 1.021 140 I CB 2.300 40.397 38.000 0.161 0.000 1.233 140 I HN 0.749 nan 8.210 nan 0.000 0.427 141 H N 1.418 120.520 119.070 0.053 0.000 2.865 141 H HA 0.447 5.000 4.556 -0.006 0.000 0.265 141 H C -1.496 173.857 175.328 0.042 0.000 1.477 141 H CA -1.236 54.839 56.048 0.045 0.000 1.157 141 H CB 0.823 30.605 29.762 0.033 0.000 1.858 141 H HN 0.579 nan 8.280 nan 0.000 0.594 142 R N 1.643 122.027 120.500 -0.193 0.000 2.242 142 R HA 0.199 4.536 4.340 -0.006 0.000 0.334 142 R C -0.066 176.013 176.300 -0.367 0.000 1.071 142 R CA 0.123 56.084 56.100 -0.232 0.000 0.922 142 R CB 0.384 30.627 30.300 -0.096 0.000 1.023 142 R HN 0.674 nan 8.270 nan 0.000 0.458 143 S N 3.550 119.093 115.700 -0.261 0.000 2.507 143 S HA 0.090 4.557 4.470 -0.006 0.000 0.299 143 S C -2.207 172.379 174.600 -0.024 0.000 1.214 143 S CA -1.247 56.870 58.200 -0.139 0.000 1.137 143 S CB 0.312 63.622 63.200 0.183 0.000 1.009 143 S HN 0.308 nan 8.310 nan 0.000 0.512 144 P HA 0.082 nan 4.420 nan 0.000 0.227 144 P C 0.702 177.928 177.300 -0.122 0.000 1.036 144 P CA 0.920 63.949 63.100 -0.119 0.000 1.080 144 P CB -0.486 31.136 31.700 -0.130 0.000 1.046 145 G N 1.078 109.773 108.800 -0.175 0.000 2.933 145 G HA2 0.569 4.526 3.960 -0.006 0.000 0.203 145 G HA3 0.569 4.526 3.960 -0.006 0.000 0.203 145 G C -1.405 173.212 174.900 -0.472 0.000 1.170 145 G CA -0.321 44.589 45.100 -0.317 0.000 0.880 145 G HN 0.196 nan 8.290 nan 0.000 0.573 146 V N -0.028 119.419 119.914 -0.778 0.000 2.925 146 V HA 0.760 4.877 4.120 -0.006 0.000 0.311 146 V C -1.445 173.952 176.094 -1.161 0.000 1.104 146 V CA -0.575 61.258 62.300 -0.779 0.000 0.954 146 V CB 1.603 33.064 31.823 -0.603 0.000 1.022 146 V HN 0.684 nan 8.190 nan 0.000 0.427 147 Y N 2.048 122.018 120.300 -0.550 0.000 2.677 147 Y HA 0.786 5.333 4.550 -0.006 0.000 0.334 147 Y C -1.088 174.380 175.900 -0.720 0.000 1.154 147 Y CA -1.141 56.705 58.100 -0.423 0.000 1.070 147 Y CB 2.085 40.448 38.460 -0.162 0.000 1.294 147 Y HN 0.486 nan 8.280 nan 0.000 0.475 148 F N 0.198 120.249 119.950 0.167 0.000 2.828 148 F HA 0.515 5.038 4.527 -0.006 0.000 0.355 148 F C -0.544 175.283 175.800 0.045 0.000 1.200 148 F CA -0.914 57.135 58.000 0.082 0.000 1.062 148 F CB 1.556 40.570 39.000 0.024 0.000 1.351 148 F HN 0.209 nan 8.300 nan 0.000 0.504 149 T N 2.861 117.542 114.554 0.211 0.000 2.895 149 T HA 0.478 4.824 4.350 -0.006 0.000 0.283 149 T C -2.670 172.179 174.700 0.248 0.000 1.014 149 T CA -1.893 60.309 62.100 0.170 0.000 1.037 149 T CB 1.826 70.763 68.868 0.114 0.000 1.006 149 T HN 0.067 nan 8.240 nan 0.000 0.468 150 P HA 0.006 nan 4.420 nan 0.000 0.265 150 P C -0.146 177.270 177.300 0.194 0.000 1.187 150 P CA -0.106 63.207 63.100 0.356 0.000 0.766 150 P CB 0.390 32.259 31.700 0.280 0.000 0.820 151 D N 4.001 124.484 120.400 0.139 0.000 2.455 151 D HA 0.002 4.639 4.640 -0.006 0.000 0.241 151 D C -1.234 175.095 176.300 0.049 0.000 1.138 151 D CA -1.300 52.747 54.000 0.079 0.000 0.877 151 D CB 0.493 41.315 40.800 0.037 0.000 1.187 151 D HN 0.175 nan 8.370 nan 0.000 0.451 152 P HA -0.241 nan 4.420 nan 0.000 0.217 152 P C 0.569 177.879 177.300 0.017 0.000 0.848 152 P CA 2.245 65.362 63.100 0.028 0.000 1.049 152 P CB 0.126 31.838 31.700 0.021 0.000 0.690 153 A N -1.290 121.536 122.820 0.009 0.000 1.859 153 A HA 0.004 4.320 4.320 -0.006 0.000 0.212 153 A C 1.396 178.976 177.584 -0.006 0.000 1.238 153 A CA 0.214 52.252 52.037 0.002 0.000 0.613 153 A CB -0.899 18.101 19.000 0.000 0.000 0.904 153 A HN 0.093 nan 8.150 nan 0.000 0.457 154 R N 1.437 121.932 120.500 -0.009 0.000 2.561 154 R HA 0.054 4.391 4.340 -0.006 0.000 0.347 154 R C -2.307 173.972 176.300 -0.035 0.000 0.916 154 R CA -0.907 55.180 56.100 -0.021 0.000 1.063 154 R CB 0.058 30.345 30.300 -0.020 0.000 0.916 154 R HN 0.149 nan 8.270 nan 0.000 0.410 155 P HA 0.096 nan 4.420 nan 0.000 0.238 155 P C -0.153 177.094 177.300 -0.089 0.000 1.714 155 P CA 0.077 63.144 63.100 -0.055 0.000 0.908 155 P CB 0.893 32.570 31.700 -0.039 0.000 1.893 156 G N 0.095 108.828 108.800 -0.112 0.000 2.583 156 G HA2 0.203 4.159 3.960 -0.006 0.000 0.214 156 G HA3 0.203 4.159 3.960 -0.006 0.000 0.214 156 G C -0.019 174.723 174.900 -0.265 0.000 2.072 156 G CA -0.034 44.980 45.100 -0.142 0.000 0.745 156 G HN 0.071 nan 8.290 nan 0.000 0.762 157 R N 0.183 120.541 120.500 -0.235 0.000 2.637 157 R HA 0.432 4.769 4.340 -0.006 0.000 0.291 157 R C -1.016 175.164 176.300 -0.201 0.000 0.963 157 R CA -0.626 55.263 56.100 -0.351 0.000 0.901 157 R CB 1.363 31.582 30.300 -0.136 0.000 1.160 157 R HN 0.475 nan 8.270 nan 0.000 0.457 158 Y N 2.061 122.401 120.300 0.067 0.000 2.330 158 Y HA 0.311 4.857 4.550 -0.006 0.000 0.341 158 Y C 1.328 177.297 175.900 0.116 0.000 1.278 158 Y CA -0.753 57.402 58.100 0.091 0.000 1.453 158 Y CB -0.085 38.443 38.460 0.113 0.000 1.342 158 Y HN 0.483 nan 8.280 nan 0.000 0.590 159 I N -0.860 119.899 120.570 0.316 0.000 3.217 159 I HA 1.000 5.167 4.170 -0.006 0.000 0.308 159 I C -0.496 175.761 176.117 0.233 0.000 1.091 159 I CA -1.597 59.840 61.300 0.228 0.000 1.013 159 I CB 1.850 39.935 38.000 0.142 0.000 1.250 159 I HN 0.663 nan 8.210 nan 0.000 0.496 160 A N 1.148 124.052 122.820 0.140 0.000 2.322 160 A HA 0.811 5.127 4.320 -0.006 0.000 0.327 160 A C -0.527 177.015 177.584 -0.069 0.000 1.134 160 A CA -0.591 51.442 52.037 -0.007 0.000 0.831 160 A CB 1.451 20.440 19.000 -0.019 0.000 1.288 160 A HN 0.717 nan 8.150 nan 0.000 0.472 161 S N 0.162 115.738 115.700 -0.207 0.000 2.649 161 S HA 0.518 4.985 4.470 -0.006 0.000 0.274 161 S C -1.368 173.096 174.600 -0.226 0.000 1.176 161 S CA -0.431 57.711 58.200 -0.096 0.000 0.988 161 S CB 0.269 63.501 63.200 0.054 0.000 1.071 161 S HN 0.533 nan 8.310 nan 0.000 0.478 162 I N 5.055 125.484 120.570 -0.236 0.000 2.321 162 I HA 0.494 4.660 4.170 -0.006 0.000 0.291 162 I C -0.333 175.520 176.117 -0.440 0.000 0.998 162 I CA -0.635 60.470 61.300 -0.325 0.000 1.227 162 I CB 1.488 39.303 38.000 -0.309 0.000 1.368 162 I HN 0.593 nan 8.210 nan 0.000 0.466 163 I N 9.633 129.935 120.570 -0.447 0.000 2.359 163 I HA 0.468 4.634 4.170 -0.006 0.000 0.284 163 I C -2.665 173.185 176.117 -0.445 0.000 1.018 163 I CA -1.842 59.069 61.300 -0.649 0.000 1.173 163 I CB 1.417 39.087 38.000 -0.549 0.000 1.326 163 I HN 0.270 nan 8.210 nan 0.000 0.462 164 P HA 0.387 nan 4.420 nan 0.000 0.301 164 P C -1.446 175.746 177.300 -0.180 0.000 1.385 164 P CA -0.489 62.474 63.100 -0.228 0.000 0.902 164 P CB 1.462 33.078 31.700 -0.140 0.000 0.965 165 L N 6.426 127.560 121.223 -0.147 0.000 2.334 165 L HA 0.718 5.054 4.340 -0.006 0.000 0.273 165 L C -2.354 174.456 176.870 -0.099 0.000 1.013 165 L CA -2.580 52.205 54.840 -0.091 0.000 0.816 165 L CB 0.764 42.787 42.059 -0.061 0.000 1.278 165 L HN 0.219 nan 8.230 nan 0.000 0.431 166 P HA -0.052 nan 4.420 nan 0.000 0.272 166 P C 0.132 177.455 177.300 0.038 0.000 1.225 166 P CA 0.129 63.229 63.100 0.001 0.000 0.800 166 P CB 0.417 32.133 31.700 0.026 0.000 0.894 167 K N 0.736 121.179 120.400 0.072 0.000 2.057 167 K HA -0.134 4.183 4.320 -0.006 0.000 0.206 167 K C 1.168 177.842 176.600 0.124 0.000 1.050 167 K CA 1.152 57.513 56.287 0.124 0.000 0.935 167 K CB -0.064 32.506 32.500 0.116 0.000 0.715 167 K HN 0.070 nan 8.250 nan 0.000 0.439 168 R N 0.712 121.267 120.500 0.091 0.000 4.160 168 R HA 0.093 4.429 4.340 -0.006 0.000 0.216 168 R C -0.829 175.532 176.300 0.103 0.000 2.009 168 R CA 0.114 56.270 56.100 0.093 0.000 1.664 168 R CB -0.066 30.275 30.300 0.068 0.000 1.216 168 R HN 0.279 nan 8.270 nan 0.000 0.648 169 G N 0.925 109.795 108.800 0.117 0.000 2.737 169 G HA2 0.412 4.369 3.960 -0.006 0.000 0.290 169 G HA3 0.412 4.369 3.960 -0.006 0.000 0.290 169 G C -2.749 172.236 174.900 0.143 0.000 1.482 169 G CA -1.463 43.707 45.100 0.116 0.000 1.017 169 G HN 0.010 nan 8.290 nan 0.000 0.529 170 P HA -0.094 nan 4.420 nan 0.000 0.270 170 P C -0.569 176.828 177.300 0.161 0.000 1.181 170 P CA 0.210 63.413 63.100 0.172 0.000 0.767 170 P CB 0.574 32.352 31.700 0.131 0.000 0.799 171 W N 4.644 125.945 121.300 0.002 0.000 2.466 171 W HA 0.375 5.031 4.660 -0.006 0.000 0.303 171 W C -1.517 174.978 176.519 -0.039 0.000 0.999 171 W CA -0.621 56.714 57.345 -0.017 0.000 1.437 171 W CB 0.274 29.733 29.460 -0.003 0.000 1.274 171 W HN 0.159 nan 8.180 nan 0.000 0.417 172 I N 4.482 125.124 120.570 0.121 0.000 2.499 172 I HA 0.262 4.428 4.170 -0.006 0.000 0.296 172 I C -0.276 175.880 176.117 0.065 0.000 0.992 172 I CA 0.174 61.501 61.300 0.046 0.000 1.297 172 I CB 1.130 39.069 38.000 -0.102 0.000 1.410 172 I HN 0.177 nan 8.210 nan 0.000 0.507 173 D N 5.188 125.608 120.400 0.033 0.000 2.964 173 D HA 0.572 5.209 4.640 -0.006 0.000 0.234 173 D C -1.195 175.097 176.300 -0.014 0.000 1.223 173 D CA -0.358 53.659 54.000 0.029 0.000 0.889 173 D CB 1.790 42.631 40.800 0.068 0.000 1.609 173 D HN 0.275 nan 8.370 nan 0.000 0.523 174 L N 2.159 123.380 121.223 -0.004 0.000 2.298 174 L HA 0.581 4.917 4.340 -0.006 0.000 0.284 174 L C -0.391 176.513 176.870 0.058 0.000 1.013 174 L CA -0.540 54.304 54.840 0.007 0.000 0.824 174 L CB 1.461 43.523 42.059 0.005 0.000 1.221 174 L HN 0.391 nan 8.230 nan 0.000 0.418 175 E N 3.399 123.628 120.200 0.048 0.000 2.291 175 E HA 0.498 4.844 4.350 -0.006 0.000 0.276 175 E C -1.529 175.106 176.600 0.059 0.000 0.896 175 E CA -0.726 55.714 56.400 0.067 0.000 0.774 175 E CB 2.722 32.454 29.700 0.053 0.000 1.227 175 E HN 0.383 nan 8.360 nan 0.000 0.413 176 V N 1.383 121.341 119.914 0.073 0.000 2.483 176 V HA 0.605 4.721 4.120 -0.006 0.000 0.295 176 V C -0.096 176.018 176.094 0.034 0.000 1.035 176 V CA -0.589 61.746 62.300 0.059 0.000 0.896 176 V CB 1.669 33.539 31.823 0.079 0.000 0.986 176 V HN 0.746 nan 8.190 nan 0.000 0.447 177 E N 4.180 124.393 120.200 0.023 0.000 3.568 177 E HA 0.343 4.689 4.350 -0.006 0.000 0.213 177 E C -2.009 174.594 176.600 0.005 0.000 1.197 177 E CA -1.746 54.661 56.400 0.011 0.000 1.126 177 E CB 1.541 31.248 29.700 0.012 0.000 1.285 177 E HN 0.641 nan 8.360 nan 0.000 0.418 178 P HA -0.271 nan 4.420 nan 0.000 0.226 178 P C 1.077 178.369 177.300 -0.014 0.000 1.156 178 P CA 1.064 64.157 63.100 -0.013 0.000 0.855 178 P CB 0.234 31.920 31.700 -0.023 0.000 0.764 179 N N -1.795 116.899 118.700 -0.010 0.000 2.573 179 N HA -0.060 4.676 4.740 -0.006 0.000 0.187 179 N C 1.284 176.788 175.510 -0.009 0.000 1.107 179 N CA 1.585 54.629 53.050 -0.011 0.000 0.918 179 N CB -0.010 38.472 38.487 -0.008 0.000 0.966 179 N HN 0.273 nan 8.380 nan 0.000 0.448 180 G N -1.254 107.543 108.800 -0.005 0.000 4.511 180 G HA2 0.080 4.037 3.960 -0.006 0.000 0.220 180 G HA3 0.080 4.037 3.960 -0.006 0.000 0.220 180 G C -0.634 174.269 174.900 0.005 0.000 0.733 180 G CA -0.123 44.975 45.100 -0.004 0.000 0.897 180 G HN 0.094 nan 8.290 nan 0.000 0.691 181 V N 0.237 120.158 119.914 0.011 0.000 3.114 181 V HA 0.834 4.951 4.120 -0.006 0.000 0.308 181 V C -0.653 175.457 176.094 0.027 0.000 1.168 181 V CA -0.954 61.360 62.300 0.023 0.000 1.015 181 V CB 2.239 34.079 31.823 0.028 0.000 1.050 181 V HN 0.099 nan 8.190 nan 0.000 0.433 182 V N 0.978 120.912 119.914 0.033 0.000 2.656 182 V HA 0.623 4.739 4.120 -0.006 0.000 0.307 182 V C -0.357 175.742 176.094 0.009 0.000 1.051 182 V CA -0.341 61.980 62.300 0.034 0.000 0.893 182 V CB 2.375 34.229 31.823 0.052 0.000 0.999 182 V HN 0.936 nan 8.190 nan 0.000 0.426 183 S N 5.669 121.367 115.700 -0.003 0.000 2.498 183 S HA 0.593 5.059 4.470 -0.006 0.000 0.317 183 S C -0.504 174.040 174.600 -0.093 0.000 1.090 183 S CA -0.451 57.727 58.200 -0.036 0.000 1.089 183 S CB 1.239 64.437 63.200 -0.003 0.000 0.997 183 S HN 0.691 nan 8.310 nan 0.000 0.470 184 M N 4.398 123.861 119.600 -0.227 0.000 2.043 184 M HA 0.406 4.883 4.480 -0.006 0.000 0.322 184 M C -1.760 174.341 176.300 -0.332 0.000 0.962 184 M CA -0.296 54.811 55.300 -0.322 0.000 0.927 184 M CB 0.417 32.704 32.600 -0.522 0.000 1.466 184 M HN 0.517 nan 8.290 nan 0.000 0.412 185 K N 4.394 124.720 120.400 -0.124 0.000 2.483 185 K HA 0.401 4.718 4.320 -0.006 0.000 0.256 185 K C 0.897 177.521 176.600 0.040 0.000 0.961 185 K CA -0.587 55.692 56.287 -0.013 0.000 0.873 185 K CB 2.068 34.581 32.500 0.020 0.000 1.107 185 K HN 0.556 nan 8.250 nan 0.000 0.432 186 V N 0.442 120.408 119.914 0.088 0.000 2.283 186 V HA -0.079 4.037 4.120 -0.006 0.000 0.239 186 V C 1.415 177.573 176.094 0.106 0.000 1.035 186 V CA 1.083 63.437 62.300 0.090 0.000 1.018 186 V CB -0.562 31.297 31.823 0.061 0.000 0.658 186 V HN 0.598 nan 8.190 nan 0.000 0.459 187 N N -0.610 118.145 118.700 0.093 0.000 2.297 187 N HA 0.071 4.808 4.740 -0.006 0.000 0.204 187 N C 1.600 177.141 175.510 0.052 0.000 1.036 187 N CA 1.187 54.279 53.050 0.070 0.000 0.991 187 N CB 0.070 38.587 38.487 0.050 0.000 1.198 187 N HN 0.276 nan 8.380 nan 0.000 0.515 188 K N -0.292 120.141 120.400 0.054 0.000 2.550 188 K HA 0.231 4.548 4.320 -0.006 0.000 0.225 188 K C -0.175 176.464 176.600 0.065 0.000 1.361 188 K CA -0.162 56.148 56.287 0.038 0.000 0.801 188 K CB -0.191 32.320 32.500 0.017 0.000 1.698 188 K HN 0.006 nan 8.250 nan 0.000 0.411 189 R N 3.304 123.853 120.500 0.083 0.000 2.522 189 R HA 0.006 4.343 4.340 -0.006 0.000 0.284 189 R C 0.176 176.608 176.300 0.220 0.000 1.032 189 R CA 0.325 56.495 56.100 0.115 0.000 1.049 189 R CB 0.389 30.745 30.300 0.093 0.000 0.956 189 R HN 0.208 nan 8.270 nan 0.000 0.422 190 K N 3.238 123.745 120.400 0.179 0.000 2.155 190 K HA 0.421 4.737 4.320 -0.006 0.000 0.237 190 K C -0.583 176.244 176.600 0.377 0.000 1.040 190 K CA -0.340 56.041 56.287 0.155 0.000 0.912 190 K CB 0.608 33.132 32.500 0.039 0.000 1.137 190 K HN 0.535 nan 8.250 nan 0.000 0.498 191 F N -4.891 115.090 119.950 0.051 0.000 2.878 191 F HA 0.327 4.850 4.527 -0.006 0.000 0.322 191 F C -3.257 172.591 175.800 0.079 0.000 1.154 191 F CA -2.457 55.583 58.000 0.067 0.000 0.896 191 F CB -0.106 38.934 39.000 0.066 0.000 1.313 191 F HN 0.296 nan 8.300 nan 0.000 0.451 192 P HA 0.067 nan 4.420 nan 0.000 0.262 192 P C 0.895 178.257 177.300 0.102 0.000 1.199 192 P CA -0.173 63.019 63.100 0.153 0.000 0.763 192 P CB 0.585 32.411 31.700 0.209 0.000 0.790 193 L N 4.980 126.216 121.223 0.022 0.000 2.353 193 L HA -0.107 4.229 4.340 -0.006 0.000 0.220 193 L C 1.428 178.362 176.870 0.106 0.000 1.133 193 L CA 1.728 56.580 54.840 0.020 0.000 0.798 193 L CB -0.515 41.551 42.059 0.011 0.000 0.922 193 L HN 0.126 nan 8.230 nan 0.000 0.445 194 V N -0.525 119.467 119.914 0.130 0.000 2.283 194 V HA -0.249 3.868 4.120 -0.006 0.000 0.243 194 V C 2.522 178.721 176.094 0.175 0.000 1.039 194 V CA 1.227 63.616 62.300 0.148 0.000 1.016 194 V CB -0.879 31.026 31.823 0.137 0.000 0.650 194 V HN 0.386 nan 8.190 nan 0.000 0.449 195 L N -0.205 121.148 121.223 0.216 0.000 2.137 195 L HA -0.201 4.136 4.340 -0.006 0.000 0.213 195 L C 2.104 179.087 176.870 0.189 0.000 1.085 195 L CA 1.925 56.902 54.840 0.229 0.000 0.760 195 L CB -0.464 41.776 42.059 0.301 0.000 0.893 195 L HN 0.236 nan 8.230 nan 0.000 0.434 196 L N -1.802 119.543 121.223 0.203 0.000 2.034 196 L HA -0.145 4.192 4.340 -0.006 0.000 0.203 196 L C 2.403 179.319 176.870 0.077 0.000 1.074 196 L CA 1.119 56.041 54.840 0.136 0.000 0.748 196 L CB -0.644 41.518 42.059 0.172 0.000 0.905 196 L HN 0.183 nan 8.230 nan 0.000 0.439 197 L N -0.605 120.705 121.223 0.144 0.000 2.043 197 L HA -0.239 4.098 4.340 -0.006 0.000 0.212 197 L C 2.899 179.873 176.870 0.174 0.000 1.075 197 L CA 1.101 56.079 54.840 0.231 0.000 0.752 197 L CB -0.674 41.561 42.059 0.292 0.000 0.891 197 L HN 0.255 nan 8.230 nan 0.000 0.432 198 R N 0.248 120.837 120.500 0.149 0.000 2.083 198 R HA -0.148 4.188 4.340 -0.006 0.000 0.237 198 R C 2.240 178.580 176.300 0.067 0.000 1.137 198 R CA 1.634 57.804 56.100 0.116 0.000 0.951 198 R CB -0.686 29.688 30.300 0.124 0.000 0.851 198 R HN 0.231 nan 8.270 nan 0.000 0.434 199 V N 1.494 121.441 119.914 0.056 0.000 2.282 199 V HA -0.268 3.848 4.120 -0.006 0.000 0.249 199 V C 2.421 178.521 176.094 0.010 0.000 1.057 199 V CA 1.799 64.118 62.300 0.031 0.000 1.032 199 V CB -0.429 31.403 31.823 0.016 0.000 0.645 199 V HN 0.276 nan 8.190 nan 0.000 0.447 200 L N -0.324 120.878 121.223 -0.035 0.000 2.362 200 L HA 0.136 4.473 4.340 -0.006 0.000 0.219 200 L C 1.876 178.650 176.870 -0.159 0.000 1.134 200 L CA 1.268 56.051 54.840 -0.094 0.000 0.807 200 L CB -0.372 41.583 42.059 -0.174 0.000 0.927 200 L HN 0.575 nan 8.230 nan 0.000 0.447 201 G N -2.675 106.063 108.800 -0.103 0.000 2.481 201 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.200 201 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.200 201 G C -0.065 174.817 174.900 -0.029 0.000 1.012 201 G CA -0.609 44.432 45.100 -0.097 0.000 0.676 201 G HN 0.033 nan 8.290 nan 0.000 0.488 202 Y N 3.843 124.169 120.300 0.043 0.000 2.853 202 Y HA 0.321 4.867 4.550 -0.006 0.000 0.365 202 Y C 0.712 176.644 175.900 0.052 0.000 1.310 202 Y CA -0.033 58.096 58.100 0.048 0.000 1.703 202 Y CB -0.589 37.901 38.460 0.050 0.000 1.238 202 Y HN 0.307 nan 8.280 nan 0.000 0.510 203 D N 1.686 122.215 120.400 0.216 0.000 2.313 203 D HA 0.109 4.746 4.640 -0.006 0.000 0.247 203 D C 0.952 177.328 176.300 0.126 0.000 1.094 203 D CA -0.478 53.606 54.000 0.141 0.000 0.925 203 D CB 0.775 41.637 40.800 0.105 0.000 1.188 203 D HN 0.499 nan 8.370 nan 0.000 0.430 204 Q N 0.900 120.759 119.800 0.100 0.000 2.082 204 Q HA -0.320 4.017 4.340 -0.006 0.000 0.211 204 Q C 1.781 177.820 176.000 0.064 0.000 1.002 204 Q CA 2.047 57.897 55.803 0.079 0.000 0.868 204 Q CB -0.265 28.512 28.738 0.064 0.000 0.931 204 Q HN 0.690 nan 8.270 nan 0.000 0.414 205 E N 0.031 120.267 120.200 0.060 0.000 2.017 205 E HA -0.190 4.156 4.350 -0.006 0.000 0.193 205 E C 2.012 178.644 176.600 0.052 0.000 0.997 205 E CA 1.679 58.108 56.400 0.048 0.000 0.804 205 E CB -0.614 29.113 29.700 0.045 0.000 0.757 205 E HN 0.160 nan 8.360 nan 0.000 0.448 206 T N -0.331 114.265 114.554 0.070 0.000 3.007 206 T HA -0.012 4.335 4.350 -0.006 0.000 0.270 206 T C 1.615 176.348 174.700 0.056 0.000 1.107 206 T CA 0.516 62.660 62.100 0.074 0.000 1.118 206 T CB -0.179 68.754 68.868 0.109 0.000 0.889 206 T HN 0.190 nan 8.240 nan 0.000 0.506 207 L N 0.100 121.356 121.223 0.054 0.000 2.071 207 L HA 0.216 4.552 4.340 -0.006 0.000 0.201 207 L C 3.007 179.890 176.870 0.021 0.000 1.076 207 L CA 1.139 55.986 54.840 0.012 0.000 0.755 207 L CB -0.633 41.454 42.059 0.045 0.000 0.915 207 L HN 0.310 nan 8.230 nan 0.000 0.445 208 A N 0.026 122.867 122.820 0.035 0.000 1.883 208 A HA -0.263 4.053 4.320 -0.006 0.000 0.217 208 A C 2.275 179.862 177.584 0.006 0.000 1.186 208 A CA 1.965 54.014 52.037 0.022 0.000 0.624 208 A CB -0.522 18.486 19.000 0.013 0.000 0.822 208 A HN 0.353 nan 8.150 nan 0.000 0.444 209 R N -0.717 119.792 120.500 0.015 0.000 2.055 209 R HA -0.028 4.309 4.340 -0.006 0.000 0.228 209 R C 2.124 178.440 176.300 0.027 0.000 1.143 209 R CA 1.330 57.441 56.100 0.017 0.000 0.945 209 R CB -0.227 30.088 30.300 0.024 0.000 0.841 209 R HN 0.451 nan 8.270 nan 0.000 0.429 210 E N 0.440 120.658 120.200 0.030 0.000 2.274 210 E HA -0.142 4.204 4.350 -0.006 0.000 0.194 210 E C 1.794 178.415 176.600 0.036 0.000 0.996 210 E CA 0.777 57.199 56.400 0.037 0.000 0.840 210 E CB 0.073 29.793 29.700 0.034 0.000 0.772 210 E HN 0.222 nan 8.360 nan 0.000 0.491 211 L N -0.935 120.297 121.223 0.015 0.000 2.356 211 L HA 0.316 4.652 4.340 -0.006 0.000 0.193 211 L C 1.358 178.238 176.870 0.016 0.000 1.087 211 L CA 1.456 56.308 54.840 0.020 0.000 0.817 211 L CB 0.102 42.148 42.059 -0.022 0.000 1.035 211 L HN -0.017 nan 8.230 nan 0.000 0.482 212 G N -1.032 107.770 108.800 0.004 0.000 4.873 212 G HA2 0.493 4.450 3.960 -0.006 0.000 0.314 212 G HA3 0.493 4.450 3.960 -0.006 0.000 0.314 212 G C 0.583 175.366 174.900 -0.195 0.000 1.426 212 G CA 0.313 45.312 45.100 -0.168 0.000 1.136 212 G HN 0.521 nan 8.290 nan 0.000 0.589 213 A N 0.750 123.504 122.820 -0.110 0.000 1.935 213 A HA 0.118 4.434 4.320 -0.006 0.000 0.214 213 A C 1.865 179.439 177.584 -0.016 0.000 1.178 213 A CA 1.288 53.305 52.037 -0.034 0.000 0.640 213 A CB -0.376 18.648 19.000 0.039 0.000 0.825 213 A HN 0.808 nan 8.150 nan 0.000 0.447 214 Y N -0.801 119.491 120.300 -0.014 0.000 2.544 214 Y HA 0.428 4.975 4.550 -0.006 0.000 0.286 214 Y C 0.927 176.795 175.900 -0.053 0.000 1.141 214 Y CA -0.347 57.736 58.100 -0.027 0.000 1.299 214 Y CB -0.607 37.843 38.460 -0.016 0.000 1.030 214 Y HN 0.100 nan 8.280 nan 0.000 0.543 215 G N 2.450 110.935 108.800 -0.525 0.000 2.716 215 G HA2 0.221 4.177 3.960 -0.006 0.000 0.333 215 G HA3 0.221 4.177 3.960 -0.006 0.000 0.333 215 G C 0.504 175.140 174.900 -0.441 0.000 1.168 215 G CA -0.319 44.441 45.100 -0.568 0.000 1.064 215 G HN 0.341 nan 8.290 nan 0.000 0.479 216 E N 3.277 123.305 120.200 -0.287 0.000 2.187 216 E HA -0.253 4.093 4.350 -0.006 0.000 0.199 216 E C 1.983 178.404 176.600 -0.298 0.000 1.004 216 E CA 0.812 57.078 56.400 -0.224 0.000 0.813 216 E CB -0.555 29.056 29.700 -0.148 0.000 0.736 216 E HN 0.644 nan 8.360 nan 0.000 0.468 217 L N 0.787 121.741 121.223 -0.449 0.000 2.351 217 L HA -0.122 4.215 4.340 -0.006 0.000 0.220 217 L C 2.631 179.183 176.870 -0.529 0.000 1.127 217 L CA 0.697 55.221 54.840 -0.527 0.000 0.786 217 L CB -0.823 40.762 42.059 -0.791 0.000 0.914 217 L HN -0.043 nan 8.230 nan 0.000 0.443 218 V N 0.285 119.883 119.914 -0.527 0.000 2.660 218 V HA -0.326 3.790 4.120 -0.006 0.000 0.257 218 V C 2.542 178.567 176.094 -0.115 0.000 1.088 218 V CA 1.812 63.960 62.300 -0.252 0.000 1.106 218 V CB -0.397 31.330 31.823 -0.159 0.000 0.686 218 V HN 0.613 nan 8.190 nan 0.000 0.481 219 Q N -0.418 119.300 119.800 -0.136 0.000 2.170 219 Q HA -0.126 4.211 4.340 -0.006 0.000 0.203 219 Q C 2.074 178.045 176.000 -0.049 0.000 0.976 219 Q CA 1.438 57.194 55.803 -0.079 0.000 0.858 219 Q CB -0.385 28.302 28.738 -0.084 0.000 0.907 219 Q HN 0.699 nan 8.270 nan 0.000 0.433 220 G N -0.039 108.730 108.800 -0.052 0.000 3.026 220 G HA2 0.055 4.011 3.960 -0.006 0.000 0.208 220 G HA3 0.055 4.011 3.960 -0.006 0.000 0.208 220 G C 0.997 175.921 174.900 0.040 0.000 1.169 220 G CA -0.005 45.091 45.100 -0.007 0.000 0.788 220 G HN 0.180 nan 8.290 nan 0.000 0.533 221 L N -0.988 120.264 121.223 0.048 0.000 2.433 221 L HA 0.490 4.826 4.340 -0.006 0.000 0.200 221 L C 2.199 179.105 176.870 0.060 0.000 1.059 221 L CA 0.914 55.806 54.840 0.086 0.000 0.835 221 L CB -0.073 42.068 42.059 0.136 0.000 1.076 221 L HN 0.096 nan 8.230 nan 0.000 0.481 222 M N -0.086 119.536 119.600 0.036 0.000 2.633 222 M HA 0.005 4.481 4.480 -0.006 0.000 0.226 222 M C 0.917 177.222 176.300 0.007 0.000 1.137 222 M CA 0.305 55.622 55.300 0.027 0.000 1.020 222 M CB -0.305 32.306 32.600 0.018 0.000 1.675 222 M HN 0.297 nan 8.290 nan 0.000 0.500 223 D N 1.515 121.915 120.400 -0.001 0.000 2.096 223 D HA -0.137 4.500 4.640 -0.006 0.000 0.200 223 D C 0.984 177.254 176.300 -0.050 0.000 0.980 223 D CA 1.176 55.162 54.000 -0.024 0.000 0.860 223 D CB 0.229 41.014 40.800 -0.025 0.000 1.005 223 D HN -0.001 nan 8.370 nan 0.000 0.449 224 E N 0.251 120.407 120.200 -0.073 0.000 1.896 224 E HA -0.006 4.341 4.350 -0.006 0.000 0.276 224 E C 0.830 177.365 176.600 -0.109 0.000 1.171 224 E CA -0.044 56.255 56.400 -0.169 0.000 1.118 224 E CB -0.301 29.239 29.700 -0.266 0.000 1.077 224 E HN 0.316 nan 8.360 nan 0.000 0.452 225 S N 0.566 116.226 115.700 -0.068 0.000 2.428 225 S HA -0.123 4.344 4.470 -0.006 0.000 0.230 225 S C 1.942 176.553 174.600 0.020 0.000 1.014 225 S CA 0.693 58.890 58.200 -0.005 0.000 0.957 225 S CB -0.167 63.033 63.200 -0.000 0.000 0.784 225 S HN 0.265 nan 8.310 nan 0.000 0.499 226 V N 1.140 121.027 119.914 -0.045 0.000 2.370 226 V HA -0.201 3.915 4.120 -0.006 0.000 0.252 226 V C 2.093 178.370 176.094 0.305 0.000 1.068 226 V CA 2.072 64.398 62.300 0.043 0.000 1.061 226 V CB -1.093 30.674 31.823 -0.094 0.000 0.656 226 V HN 0.618 nan 8.190 nan 0.000 0.455 227 F N -0.427 119.547 119.950 0.040 0.000 2.505 227 F HA 0.241 4.764 4.527 -0.006 0.000 0.289 227 F C 2.346 178.175 175.800 0.049 0.000 1.101 227 F CA 0.325 58.352 58.000 0.044 0.000 1.446 227 F CB -0.171 38.860 39.000 0.052 0.000 1.123 227 F HN 0.125 nan 8.300 nan 0.000 0.564 228 A N -0.040 122.921 122.820 0.234 0.000 2.239 228 A HA -0.040 4.277 4.320 -0.006 0.000 0.209 228 A C 1.682 179.338 177.584 0.120 0.000 1.171 228 A CA 0.781 52.912 52.037 0.156 0.000 0.768 228 A CB -0.378 18.691 19.000 0.116 0.000 0.790 228 A HN 0.203 nan 8.150 nan 0.000 0.478 229 M N -0.171 119.503 119.600 0.123 0.000 2.371 229 M HA 0.140 4.616 4.480 -0.006 0.000 0.246 229 M C 0.290 176.637 176.300 0.079 0.000 1.103 229 M CA 0.405 55.759 55.300 0.090 0.000 1.010 229 M CB -0.342 32.306 32.600 0.080 0.000 1.457 229 M HN 0.514 nan 8.290 nan 0.000 0.486 230 R N -0.533 120.019 120.500 0.087 0.000 2.412 230 R HA 0.480 4.817 4.340 -0.006 0.000 0.304 230 R C -2.795 173.536 176.300 0.051 0.000 1.066 230 R CA -1.459 54.676 56.100 0.058 0.000 0.923 230 R CB 0.650 30.977 30.300 0.047 0.000 1.156 230 R HN -0.143 nan 8.270 nan 0.000 0.513 231 P HA -0.256 nan 4.420 nan 0.000 0.215 231 P C 0.811 178.130 177.300 0.032 0.000 0.941 231 P CA 0.865 63.989 63.100 0.040 0.000 0.989 231 P CB 0.190 31.909 31.700 0.031 0.000 0.613 232 E N -0.853 119.361 120.200 0.023 0.000 2.331 232 E HA -0.237 4.110 4.350 -0.006 0.000 0.199 232 E C 1.937 178.539 176.600 0.004 0.000 1.008 232 E CA 0.449 56.861 56.400 0.019 0.000 0.843 232 E CB -0.207 29.501 29.700 0.015 0.000 0.761 232 E HN 0.190 nan 8.360 nan 0.000 0.507 233 E N 0.456 120.657 120.200 0.001 0.000 2.106 233 E HA -0.154 4.193 4.350 -0.006 0.000 0.192 233 E C 1.833 178.416 176.600 -0.030 0.000 0.984 233 E CA 1.040 57.429 56.400 -0.017 0.000 0.806 233 E CB -0.073 29.617 29.700 -0.016 0.000 0.750 233 E HN 0.276 nan 8.360 nan 0.000 0.458 234 A N 1.467 124.282 122.820 -0.009 0.000 2.024 234 A HA -0.156 4.160 4.320 -0.006 0.000 0.220 234 A C 2.384 179.966 177.584 -0.003 0.000 1.164 234 A CA 1.264 53.297 52.037 -0.007 0.000 0.643 234 A CB -0.698 18.329 19.000 0.046 0.000 0.806 234 A HN 0.382 nan 8.150 nan 0.000 0.451 235 L N -0.512 120.715 121.223 0.006 0.000 2.017 235 L HA -0.131 4.206 4.340 -0.006 0.000 0.208 235 L C 2.275 179.153 176.870 0.014 0.000 1.073 235 L CA 1.689 56.535 54.840 0.011 0.000 0.745 235 L CB -0.205 41.862 42.059 0.013 0.000 0.894 235 L HN 0.438 nan 8.230 nan 0.000 0.432 236 I N -0.946 119.617 120.570 -0.011 0.000 2.546 236 I HA -0.204 3.963 4.170 -0.006 0.000 0.255 236 I C 2.578 178.717 176.117 0.037 0.000 1.163 236 I CA 0.360 61.662 61.300 0.004 0.000 1.457 236 I CB -0.285 37.694 38.000 -0.035 0.000 1.092 236 I HN 0.230 nan 8.210 nan 0.000 0.434 237 R N 1.679 122.159 120.500 -0.034 0.000 2.070 237 R HA -0.151 4.185 4.340 -0.006 0.000 0.233 237 R C 2.217 178.464 176.300 -0.087 0.000 1.137 237 R CA 1.685 57.722 56.100 -0.105 0.000 0.945 237 R CB -0.753 29.430 30.300 -0.194 0.000 0.845 237 R HN 0.305 nan 8.270 nan 0.000 0.430 238 L N -0.555 120.632 121.223 -0.060 0.000 2.141 238 L HA -0.070 4.266 4.340 -0.006 0.000 0.209 238 L C 2.012 178.836 176.870 -0.078 0.000 1.094 238 L CA 1.177 55.943 54.840 -0.123 0.000 0.763 238 L CB -0.295 41.702 42.059 -0.104 0.000 0.908 238 L HN 0.259 nan 8.230 nan 0.000 0.437 239 F N 0.116 119.991 119.950 -0.125 0.000 2.161 239 F HA -0.286 4.237 4.527 -0.006 0.000 0.300 239 F C 2.297 178.039 175.800 -0.096 0.000 1.089 239 F CA 2.114 60.059 58.000 -0.091 0.000 1.282 239 F CB -0.125 38.841 39.000 -0.057 0.000 1.010 239 F HN 0.038 nan 8.300 nan 0.000 0.485 240 T N 0.857 115.433 114.554 0.036 0.000 2.867 240 T HA -0.148 4.199 4.350 -0.006 0.000 0.268 240 T C 1.966 176.591 174.700 -0.126 0.000 1.057 240 T CA 1.308 63.382 62.100 -0.045 0.000 1.136 240 T CB -0.381 68.467 68.868 -0.033 0.000 0.874 240 T HN 0.234 nan 8.240 nan 0.000 0.466 241 L N 0.153 121.277 121.223 -0.164 0.000 2.291 241 L HA 0.145 4.481 4.340 -0.006 0.000 0.214 241 L C 1.105 177.835 176.870 -0.233 0.000 1.120 241 L CA -0.010 54.708 54.840 -0.203 0.000 0.799 241 L CB -0.457 41.431 42.059 -0.287 0.000 0.925 241 L HN 0.250 nan 8.230 nan 0.000 0.446 242 L N 1.010 122.065 121.223 -0.281 0.000 2.476 242 L HA 0.223 4.559 4.340 -0.006 0.000 0.255 242 L C 0.195 176.929 176.870 -0.228 0.000 1.218 242 L CA -0.003 54.673 54.840 -0.273 0.000 0.819 242 L CB 0.617 42.458 42.059 -0.362 0.000 1.119 242 L HN 0.197 nan 8.230 nan 0.000 0.485 243 R N 1.594 121.989 120.500 -0.176 0.000 2.500 243 R HA 0.705 5.042 4.340 -0.006 0.000 0.299 243 R C -2.608 173.627 176.300 -0.107 0.000 1.038 243 R CA -0.667 55.355 56.100 -0.132 0.000 0.903 243 R CB 0.593 30.841 30.300 -0.087 0.000 1.177 243 R HN 0.593 nan 8.270 nan 0.000 0.455 244 P HA 0.330 nan 4.420 nan 0.000 0.534 244 P C 0.236 177.505 177.300 -0.052 0.000 0.922 244 P CA 0.624 63.680 63.100 -0.074 0.000 2.497 244 P CB 1.344 32.991 31.700 -0.088 0.000 1.145 245 G N 0.154 108.918 108.800 -0.061 0.000 2.198 245 G HA2 -0.139 3.818 3.960 -0.006 0.000 0.156 245 G HA3 -0.139 3.818 3.960 -0.006 0.000 0.156 245 G C -0.519 174.379 174.900 -0.004 0.000 1.012 245 G CA -0.174 44.909 45.100 -0.029 0.000 0.692 245 G HN 0.384 nan 8.290 nan 0.000 0.492 246 D N 1.624 122.011 120.400 -0.022 0.000 2.667 246 D HA 0.330 4.966 4.640 -0.006 0.000 0.226 246 D C -1.679 174.740 176.300 0.197 0.000 1.137 246 D CA 0.490 54.532 54.000 0.071 0.000 0.855 246 D CB 0.718 41.475 40.800 -0.072 0.000 1.194 246 D HN 0.147 nan 8.370 nan 0.000 0.492 247 P HA 0.096 nan 4.420 nan 0.000 0.268 247 P C -2.307 175.102 177.300 0.181 0.000 1.204 247 P CA -0.796 62.394 63.100 0.151 0.000 0.768 247 P CB 0.590 32.342 31.700 0.087 0.000 0.842 248 P HA 0.094 nan 4.420 nan 0.000 0.249 248 P C -0.343 176.906 177.300 -0.086 0.000 1.544 248 P CA 0.359 63.485 63.100 0.044 0.000 0.932 248 P CB -0.233 31.495 31.700 0.046 0.000 1.524 249 K N -0.855 119.465 120.400 -0.133 0.000 3.350 249 K HA 0.307 4.623 4.320 -0.006 0.000 0.181 249 K C -0.280 176.205 176.600 -0.192 0.000 1.064 249 K CA -0.562 55.637 56.287 -0.147 0.000 0.839 249 K CB 0.495 32.949 32.500 -0.078 0.000 0.819 249 K HN -0.135 nan 8.250 nan 0.000 0.523 250 R N 1.968 122.264 120.500 -0.341 0.000 3.256 250 R HA 0.055 4.392 4.340 -0.006 0.000 0.263 250 R C 0.142 176.278 176.300 -0.274 0.000 1.388 250 R CA -0.462 55.455 56.100 -0.305 0.000 1.580 250 R CB 0.149 30.218 30.300 -0.385 0.000 1.255 250 R HN 0.483 nan 8.270 nan 0.000 0.640 251 D N 3.198 123.491 120.400 -0.179 0.000 1.446 251 D HA -0.288 4.349 4.640 -0.006 0.000 0.629 251 D C 0.298 176.553 176.300 -0.075 0.000 0.638 251 D CA 2.293 56.224 54.000 -0.115 0.000 1.738 251 D CB 0.330 41.073 40.800 -0.096 0.000 0.375 251 D HN 0.499 nan 8.370 nan 0.000 0.215 252 K N 0.066 120.422 120.400 -0.073 0.000 2.726 252 K HA 0.629 4.945 4.320 -0.006 0.000 0.209 252 K C 0.963 177.483 176.600 -0.133 0.000 1.082 252 K CA 0.075 56.416 56.287 0.090 0.000 1.081 252 K CB 1.139 33.781 32.500 0.236 0.000 0.830 252 K HN 0.217 nan 8.250 nan 0.000 0.470 253 A N 1.365 124.070 122.820 -0.192 0.000 2.279 253 A HA -0.115 4.202 4.320 -0.006 0.000 0.190 253 A C 1.839 179.396 177.584 -0.045 0.000 1.210 253 A CA 1.251 53.179 52.037 -0.182 0.000 0.768 253 A CB -1.014 17.900 19.000 -0.145 0.000 0.887 253 A HN 0.159 nan 8.150 nan 0.000 0.530 254 V N 0.014 119.971 119.914 0.072 0.000 2.828 254 V HA -0.150 3.967 4.120 -0.006 0.000 0.260 254 V C 2.684 178.831 176.094 0.087 0.000 1.101 254 V CA 2.068 64.451 62.300 0.139 0.000 1.123 254 V CB -0.944 31.137 31.823 0.430 0.000 0.704 254 V HN 0.695 nan 8.190 nan 0.000 0.493 255 A N -1.482 121.370 122.820 0.054 0.000 2.015 255 A HA -0.188 4.129 4.320 -0.006 0.000 0.219 255 A C 2.000 179.485 177.584 -0.165 0.000 1.163 255 A CA 1.578 53.523 52.037 -0.153 0.000 0.646 255 A CB -0.644 18.048 19.000 -0.514 0.000 0.806 255 A HN 0.600 nan 8.150 nan 0.000 0.448 256 Y N 0.538 120.779 120.300 -0.099 0.000 2.097 256 Y HA -0.221 4.325 4.550 -0.006 0.000 0.282 256 Y C 2.715 178.547 175.900 -0.114 0.000 1.152 256 Y CA 1.211 59.337 58.100 0.044 0.000 1.136 256 Y CB -0.971 37.528 38.460 0.064 0.000 0.975 256 Y HN 0.120 nan 8.280 nan 0.000 0.498 257 V N -0.887 118.959 119.914 -0.113 0.000 2.233 257 V HA -0.363 3.753 4.120 -0.006 0.000 0.252 257 V C 1.493 177.369 176.094 -0.364 0.000 1.063 257 V CA 2.172 64.235 62.300 -0.395 0.000 1.032 257 V CB -1.467 29.848 31.823 -0.846 0.000 0.645 257 V HN 0.440 nan 8.190 nan 0.000 0.446 258 Y N 0.985 121.322 120.300 0.063 0.000 2.581 258 Y HA 0.451 4.998 4.550 -0.006 0.000 0.346 258 Y C 1.521 177.469 175.900 0.079 0.000 1.147 258 Y CA 0.098 58.248 58.100 0.083 0.000 1.353 258 Y CB -0.589 37.937 38.460 0.109 0.000 1.187 258 Y HN 0.257 nan 8.280 nan 0.000 0.505 259 G N -0.793 108.066 108.800 0.099 0.000 2.465 259 G HA2 0.083 4.040 3.960 -0.006 0.000 0.178 259 G HA3 0.083 4.040 3.960 -0.006 0.000 0.178 259 G C 0.427 175.362 174.900 0.058 0.000 1.591 259 G CA 0.085 45.252 45.100 0.113 0.000 0.689 259 G HN 0.179 nan 8.290 nan 0.000 0.708 260 L N 1.118 122.311 121.223 -0.050 0.000 2.292 260 L HA 0.495 4.832 4.340 -0.006 0.000 0.196 260 L C 2.107 178.909 176.870 -0.114 0.000 1.246 260 L CA 0.422 55.191 54.840 -0.119 0.000 0.864 260 L CB -0.978 40.884 42.059 -0.329 0.000 1.044 260 L HN 0.367 nan 8.230 nan 0.000 0.504 261 I N 0.224 120.685 120.570 -0.181 0.000 2.912 261 I HA -0.298 3.869 4.170 -0.006 0.000 0.074 261 I C 2.374 178.454 176.117 -0.062 0.000 1.277 261 I CA 0.857 62.079 61.300 -0.130 0.000 1.130 261 I CB -1.229 36.685 38.000 -0.144 0.000 1.260 261 I HN 0.523 nan 8.210 nan 0.000 0.652 262 A N 0.716 123.506 122.820 -0.050 0.000 1.941 262 A HA -0.353 3.963 4.320 -0.006 0.000 0.220 262 A C 1.858 179.442 177.584 -0.001 0.000 1.407 262 A CA 2.929 54.954 52.037 -0.020 0.000 0.766 262 A CB -1.447 17.539 19.000 -0.023 0.000 0.838 262 A HN 0.832 nan 8.150 nan 0.000 0.482 263 D N -0.001 120.397 120.400 -0.003 0.000 2.205 263 D HA -0.134 4.503 4.640 -0.006 0.000 0.190 263 D C -0.087 176.238 176.300 0.042 0.000 1.002 263 D CA 2.308 56.329 54.000 0.034 0.000 0.848 263 D CB -1.756 39.079 40.800 0.058 0.000 0.975 263 D HN 0.429 nan 8.370 nan 0.000 0.449 264 P HA -0.067 nan 4.420 nan 0.000 0.213 264 P C -0.003 177.296 177.300 -0.002 0.000 1.170 264 P CA 0.395 63.511 63.100 0.026 0.000 0.889 264 P CB 0.008 31.739 31.700 0.051 0.000 0.782 265 R N 0.863 121.368 120.500 0.009 0.000 3.016 265 R HA -0.203 4.133 4.340 -0.006 0.000 0.206 265 R C -0.720 175.583 176.300 0.005 0.000 0.837 265 R CA 0.805 56.915 56.100 0.016 0.000 0.969 265 R CB 0.007 30.326 30.300 0.031 0.000 0.971 265 R HN -0.011 nan 8.270 nan 0.000 0.376 266 R N 5.276 125.782 120.500 0.010 0.000 2.272 266 R HA 0.153 4.489 4.340 -0.006 0.000 0.323 266 R C 0.289 176.643 176.300 0.090 0.000 1.002 266 R CA -0.337 55.755 56.100 -0.014 0.000 0.900 266 R CB 0.215 30.503 30.300 -0.021 0.000 1.151 266 R HN 0.703 nan 8.270 nan 0.000 0.507 267 Y N 0.583 120.871 120.300 -0.019 0.000 2.418 267 Y HA -0.495 4.051 4.550 -0.006 0.000 0.182 267 Y C 0.410 176.296 175.900 -0.024 0.000 1.281 267 Y CA 1.577 59.660 58.100 -0.029 0.000 0.917 267 Y CB -0.127 38.312 38.460 -0.036 0.000 0.583 267 Y HN 0.495 nan 8.280 nan 0.000 0.613 268 D N 0.174 120.669 120.400 0.158 0.000 2.340 268 D HA 0.415 5.052 4.640 -0.006 0.000 0.240 268 D C -0.868 175.469 176.300 0.062 0.000 1.001 268 D CA -0.588 53.457 54.000 0.076 0.000 0.888 268 D CB 2.132 42.964 40.800 0.053 0.000 1.310 268 D HN 0.078 nan 8.370 nan 0.000 0.474 269 L N 1.084 122.335 121.223 0.046 0.000 2.410 269 L HA 0.284 4.620 4.340 -0.006 0.000 0.273 269 L C 1.593 178.489 176.870 0.044 0.000 1.144 269 L CA 0.725 55.591 54.840 0.043 0.000 0.863 269 L CB 0.407 42.488 42.059 0.037 0.000 1.140 269 L HN 0.944 nan 8.230 nan 0.000 0.463 270 G N 2.149 110.979 108.800 0.050 0.000 2.850 270 G HA2 -0.217 3.739 3.960 -0.006 0.000 0.207 270 G HA3 -0.217 3.739 3.960 -0.006 0.000 0.207 270 G C 0.777 175.716 174.900 0.066 0.000 1.302 270 G CA 0.040 45.171 45.100 0.051 0.000 0.832 270 G HN 0.556 nan 8.290 nan 0.000 0.543 271 E N 0.732 120.971 120.200 0.066 0.000 2.514 271 E HA 0.492 4.838 4.350 -0.006 0.000 0.215 271 E C 2.395 179.070 176.600 0.126 0.000 0.946 271 E CA 0.920 57.370 56.400 0.083 0.000 1.038 271 E CB 0.171 29.890 29.700 0.031 0.000 1.069 271 E HN 0.725 nan 8.360 nan 0.000 0.503 272 A N 1.396 124.274 122.820 0.098 0.000 1.835 272 A HA -0.015 4.301 4.320 -0.006 0.000 0.215 272 A C 2.207 179.854 177.584 0.105 0.000 1.199 272 A CA 2.282 54.372 52.037 0.088 0.000 0.615 272 A CB -0.828 18.216 19.000 0.074 0.000 0.838 272 A HN 0.305 nan 8.150 nan 0.000 0.444 273 G N -2.306 106.540 108.800 0.076 0.000 2.768 273 G HA2 0.072 4.028 3.960 -0.006 0.000 0.201 273 G HA3 0.072 4.028 3.960 -0.006 0.000 0.201 273 G C 1.544 176.470 174.900 0.044 0.000 1.089 273 G CA 0.623 45.749 45.100 0.044 0.000 0.787 273 G HN 0.408 nan 8.290 nan 0.000 0.547 274 R N -0.591 119.942 120.500 0.056 0.000 2.133 274 R HA -0.232 4.105 4.340 -0.006 0.000 0.247 274 R C 2.111 178.459 176.300 0.080 0.000 1.151 274 R CA 1.813 57.941 56.100 0.047 0.000 0.971 274 R CB -0.462 29.874 30.300 0.061 0.000 0.866 274 R HN 0.422 nan 8.270 nan 0.000 0.447 275 Y N 1.462 121.764 120.300 0.003 0.000 2.070 275 Y HA -0.271 4.276 4.550 -0.006 0.000 0.280 275 Y C 1.719 177.592 175.900 -0.045 0.000 1.148 275 Y CA 2.017 60.119 58.100 0.004 0.000 1.125 275 Y CB -0.340 38.160 38.460 0.067 0.000 0.975 275 Y HN -0.039 nan 8.280 nan 0.000 0.492 276 K N 0.325 120.599 120.400 -0.210 0.000 2.063 276 K HA -0.173 4.144 4.320 -0.006 0.000 0.208 276 K C 2.333 178.727 176.600 -0.343 0.000 1.048 276 K CA 1.309 57.358 56.287 -0.396 0.000 0.928 276 K CB -0.507 31.837 32.500 -0.260 0.000 0.713 276 K HN 0.412 nan 8.250 nan 0.000 0.442 277 A N 2.061 124.749 122.820 -0.220 0.000 1.823 277 A HA -0.237 4.080 4.320 -0.006 0.000 0.214 277 A C 1.996 179.461 177.584 -0.197 0.000 1.227 277 A CA 1.656 53.572 52.037 -0.202 0.000 0.616 277 A CB -0.802 18.123 19.000 -0.124 0.000 0.874 277 A HN 0.301 nan 8.150 nan 0.000 0.455 278 E N -0.676 119.454 120.200 -0.117 0.000 2.108 278 E HA -0.311 4.035 4.350 -0.006 0.000 0.203 278 E C 2.094 178.620 176.600 -0.123 0.000 1.022 278 E CA 1.721 58.070 56.400 -0.085 0.000 0.823 278 E CB -0.272 29.425 29.700 -0.006 0.000 0.744 278 E HN 0.778 nan 8.360 nan 0.000 0.456 279 E N 0.824 120.923 120.200 -0.168 0.000 2.028 279 E HA -0.192 4.155 4.350 -0.006 0.000 0.191 279 E C 1.961 178.426 176.600 -0.226 0.000 0.988 279 E CA 1.160 57.443 56.400 -0.194 0.000 0.799 279 E CB 0.166 29.666 29.700 -0.334 0.000 0.755 279 E HN 0.127 nan 8.360 nan 0.000 0.447 280 K N -0.119 120.102 120.400 -0.299 0.000 1.991 280 K HA 0.034 4.350 4.320 -0.006 0.000 0.207 280 K C 0.876 177.181 176.600 -0.492 0.000 1.045 280 K CA 1.059 57.169 56.287 -0.296 0.000 0.937 280 K CB -0.024 32.296 32.500 -0.300 0.000 0.720 280 K HN 0.128 nan 8.250 nan 0.000 0.438 281 L N -4.032 116.866 121.223 -0.542 0.000 2.424 281 L HA 0.714 5.051 4.340 -0.006 0.000 0.258 281 L C 0.059 176.704 176.870 -0.374 0.000 0.995 281 L CA -0.948 53.415 54.840 -0.796 0.000 0.821 281 L CB 1.966 43.454 42.059 -0.951 0.000 1.383 281 L HN 0.339 nan 8.230 nan 0.000 0.410 282 G N 0.800 109.441 108.800 -0.265 0.000 2.645 282 G HA2 -0.214 3.743 3.960 -0.006 0.000 0.246 282 G HA3 -0.214 3.743 3.960 -0.006 0.000 0.246 282 G C 0.009 174.862 174.900 -0.078 0.000 1.322 282 G CA 0.373 45.407 45.100 -0.110 0.000 0.898 282 G HN 0.920 nan 8.290 nan 0.000 0.573 283 I N -1.305 119.244 120.570 -0.035 0.000 4.420 283 I HA 0.270 4.437 4.170 -0.006 0.000 0.292 283 I C 1.010 177.126 176.117 -0.001 0.000 1.153 283 I CA 0.005 61.295 61.300 -0.017 0.000 1.315 283 I CB 0.474 38.476 38.000 0.003 0.000 1.616 283 I HN 0.407 nan 8.210 nan 0.000 0.450 284 R N 0.991 121.500 120.500 0.014 0.000 2.930 284 R HA 0.766 5.103 4.340 -0.006 0.000 0.257 284 R C -1.506 174.815 176.300 0.034 0.000 1.107 284 R CA -0.617 55.499 56.100 0.026 0.000 0.999 284 R CB 2.129 32.451 30.300 0.036 0.000 1.209 284 R HN 0.019 nan 8.270 nan 0.000 0.486 285 L N 0.090 121.338 121.223 0.041 0.000 2.588 285 L HA 0.370 4.706 4.340 -0.006 0.000 0.256 285 L C -1.432 175.472 176.870 0.055 0.000 1.083 285 L CA -0.031 54.840 54.840 0.052 0.000 0.909 285 L CB 1.529 43.611 42.059 0.040 0.000 1.121 285 L HN 0.563 nan 8.230 nan 0.000 0.470 286 S N 2.684 118.420 115.700 0.061 0.000 2.544 286 S HA 0.581 5.047 4.470 -0.006 0.000 0.290 286 S C 0.618 175.257 174.600 0.064 0.000 1.276 286 S CA 0.606 58.840 58.200 0.057 0.000 1.075 286 S CB 0.113 63.346 63.200 0.055 0.000 0.849 286 S HN 1.568 nan 8.310 nan 0.000 0.494 287 G N 2.266 111.101 108.800 0.058 0.000 3.137 287 G HA2 -0.173 3.783 3.960 -0.006 0.000 0.686 287 G HA3 -0.173 3.783 3.960 -0.006 0.000 0.686 287 G C 0.297 175.228 174.900 0.053 0.000 0.988 287 G CA 0.054 45.190 45.100 0.059 0.000 0.789 287 G HN 0.780 nan 8.290 nan 0.000 0.544 288 R N 1.195 121.721 120.500 0.044 0.000 2.293 288 R HA -0.207 4.129 4.340 -0.006 0.000 0.228 288 R C 1.766 178.088 176.300 0.037 0.000 1.105 288 R CA 3.412 59.535 56.100 0.039 0.000 0.860 288 R CB -1.292 29.028 30.300 0.034 0.000 0.923 288 R HN 1.313 nan 8.270 nan 0.000 0.414 289 T N 1.470 116.047 114.554 0.038 0.000 2.922 289 T HA 0.426 4.772 4.350 -0.006 0.000 0.281 289 T C -0.130 174.619 174.700 0.081 0.000 1.005 289 T CA -0.385 61.740 62.100 0.043 0.000 0.982 289 T CB 0.673 69.560 68.868 0.032 0.000 1.158 289 T HN 0.385 nan 8.240 nan 0.000 0.566 290 L N 0.144 121.439 121.223 0.121 0.000 3.825 290 L HA 0.378 4.715 4.340 -0.006 0.000 0.314 290 L C 0.172 177.152 176.870 0.183 0.000 1.349 290 L CA 0.093 55.054 54.840 0.202 0.000 1.174 290 L CB -2.898 39.385 42.059 0.373 0.000 1.523 290 L HN 0.773 nan 8.230 nan 0.000 0.401 291 A N 4.142 127.048 122.820 0.144 0.000 2.430 291 A HA 0.971 5.288 4.320 -0.006 0.000 0.300 291 A C 0.055 177.734 177.584 0.158 0.000 1.124 291 A CA -0.834 51.283 52.037 0.133 0.000 0.766 291 A CB 2.227 21.268 19.000 0.068 0.000 1.328 291 A HN 0.697 nan 8.150 nan 0.000 0.424 292 R N -0.139 120.472 120.500 0.186 0.000 4.584 292 R HA 0.228 4.565 4.340 -0.006 0.000 0.251 292 R C -2.103 174.307 176.300 0.183 0.000 0.957 292 R CA -0.195 56.015 56.100 0.184 0.000 1.195 292 R CB 0.211 30.570 30.300 0.098 0.000 1.233 292 R HN 1.534 nan 8.270 nan 0.000 0.630 293 F N 1.926 121.737 119.950 -0.231 0.000 2.617 293 F HA 0.376 4.899 4.527 -0.006 0.000 0.357 293 F C 0.372 176.069 175.800 -0.172 0.000 1.315 293 F CA -0.584 57.228 58.000 -0.313 0.000 1.055 293 F CB -0.314 38.330 39.000 -0.593 0.000 1.308 293 F HN 0.681 nan 8.300 nan 0.000 0.506 294 E N 0.795 120.787 120.200 -0.345 0.000 2.057 294 E HA -0.040 4.306 4.350 -0.006 0.000 0.190 294 E C 0.437 176.892 176.600 -0.242 0.000 0.969 294 E CA 1.325 57.509 56.400 -0.360 0.000 0.812 294 E CB 0.201 29.750 29.700 -0.253 0.000 0.777 294 E HN 0.320 nan 8.360 nan 0.000 0.455 295 D N -1.415 118.859 120.400 -0.210 0.000 2.395 295 D HA 0.194 4.830 4.640 -0.006 0.000 0.213 295 D C 0.735 176.921 176.300 -0.190 0.000 1.110 295 D CA 0.691 54.591 54.000 -0.167 0.000 0.835 295 D CB 1.055 41.776 40.800 -0.131 0.000 0.965 295 D HN 0.395 nan 8.370 nan 0.000 0.505 296 G N 1.359 109.991 108.800 -0.280 0.000 2.284 296 G HA2 -0.341 3.616 3.960 -0.006 0.000 0.261 296 G HA3 -0.341 3.616 3.960 -0.006 0.000 0.261 296 G C 0.431 175.028 174.900 -0.506 0.000 0.997 296 G CA 0.187 45.082 45.100 -0.341 0.000 0.621 296 G HN 0.407 nan 8.290 nan 0.000 0.534 297 E N 0.769 120.753 120.200 -0.360 0.000 1.993 297 E HA 0.517 4.864 4.350 -0.006 0.000 0.271 297 E C 0.080 176.554 176.600 -0.209 0.000 1.008 297 E CA -0.877 55.407 56.400 -0.194 0.000 0.814 297 E CB -0.049 29.591 29.700 -0.101 0.000 1.098 297 E HN 0.251 nan 8.360 nan 0.000 0.407 298 F N 2.987 122.942 119.950 0.008 0.000 2.490 298 F HA 0.112 4.635 4.527 -0.006 0.000 0.336 298 F C 0.954 176.728 175.800 -0.043 0.000 1.178 298 F CA 0.028 58.030 58.000 0.004 0.000 1.301 298 F CB 0.433 39.441 39.000 0.013 0.000 1.175 298 F HN 0.255 nan 8.300 nan 0.000 0.593 299 K N 0.940 121.441 120.400 0.169 0.000 2.378 299 K HA 0.423 4.739 4.320 -0.006 0.000 0.252 299 K C -1.820 174.846 176.600 0.111 0.000 0.931 299 K CA -0.901 55.429 56.287 0.072 0.000 0.794 299 K CB 2.122 34.652 32.500 0.051 0.000 1.181 299 K HN 0.656 nan 8.250 nan 0.000 0.425 300 D N 3.127 123.586 120.400 0.097 0.000 2.404 300 D HA 0.075 4.712 4.640 -0.006 0.000 0.267 300 D C -0.489 175.977 176.300 0.277 0.000 1.194 300 D CA -0.480 53.652 54.000 0.220 0.000 0.910 300 D CB 1.199 42.106 40.800 0.179 0.000 1.090 300 D HN 0.685 nan 8.370 nan 0.000 0.511 301 E N 0.594 120.921 120.200 0.211 0.000 2.438 301 E HA 0.049 4.395 4.350 -0.006 0.000 0.192 301 E C 0.892 177.585 176.600 0.155 0.000 1.110 301 E CA 0.056 56.564 56.400 0.179 0.000 0.893 301 E CB 0.761 30.533 29.700 0.120 0.000 0.990 301 E HN 0.365 nan 8.360 nan 0.000 0.490 302 V N -1.033 119.010 119.914 0.215 0.000 3.058 302 V HA -0.049 4.067 4.120 -0.006 0.000 0.233 302 V C 1.400 177.547 176.094 0.088 0.000 1.255 302 V CA 0.221 62.582 62.300 0.101 0.000 1.267 302 V CB -0.336 31.502 31.823 0.025 0.000 1.049 302 V HN 0.180 nan 8.190 nan 0.000 0.486 303 F N 0.561 120.541 119.950 0.050 0.000 2.120 303 F HA -0.197 4.327 4.527 -0.006 0.000 0.300 303 F C 2.151 177.952 175.800 0.001 0.000 1.095 303 F CA 2.019 60.040 58.000 0.034 0.000 1.249 303 F CB -0.615 38.434 39.000 0.080 0.000 0.995 303 F HN 0.109 nan 8.300 nan 0.000 0.480 304 L N 0.297 121.654 121.223 0.224 0.000 2.005 304 L HA -0.038 4.298 4.340 -0.006 0.000 0.207 304 L C -0.648 176.187 176.870 -0.059 0.000 1.072 304 L CA 1.882 56.722 54.840 -0.000 0.000 0.744 304 L CB -1.733 40.242 42.059 -0.141 0.000 0.895 304 L HN -0.098 nan 8.230 nan 0.000 0.433 305 P HA -0.159 nan 4.420 nan 0.000 0.218 305 P C 1.608 178.915 177.300 0.012 0.000 1.148 305 P CA 2.141 65.237 63.100 -0.006 0.000 0.822 305 P CB -0.355 31.341 31.700 -0.006 0.000 0.784 306 T N -2.130 112.416 114.554 -0.013 0.000 2.684 306 T HA -0.195 4.152 4.350 -0.006 0.000 0.267 306 T C 1.758 176.496 174.700 0.064 0.000 1.036 306 T CA 1.160 63.283 62.100 0.037 0.000 1.148 306 T CB -1.315 67.496 68.868 -0.094 0.000 0.863 306 T HN -0.025 nan 8.240 nan 0.000 0.436 307 L N 1.179 122.326 121.223 -0.126 0.000 2.093 307 L HA 0.213 4.550 4.340 -0.006 0.000 0.208 307 L C 2.796 179.343 176.870 -0.539 0.000 1.085 307 L CA 1.572 56.181 54.840 -0.386 0.000 0.755 307 L CB -0.716 41.003 42.059 -0.566 0.000 0.904 307 L HN 0.217 nan 8.230 nan 0.000 0.435 308 R N -1.370 118.953 120.500 -0.295 0.000 2.094 308 R HA -0.285 4.052 4.340 -0.006 0.000 0.239 308 R C 2.173 178.528 176.300 0.092 0.000 1.137 308 R CA 2.237 58.272 56.100 -0.109 0.000 0.943 308 R CB -1.093 29.219 30.300 0.020 0.000 0.850 308 R HN 0.436 nan 8.270 nan 0.000 0.433 309 Y N -0.287 119.981 120.300 -0.053 0.000 2.373 309 Y HA -0.027 4.520 4.550 -0.006 0.000 0.293 309 Y C 1.751 177.554 175.900 -0.162 0.000 1.129 309 Y CA 1.025 59.047 58.100 -0.131 0.000 1.226 309 Y CB -0.133 38.196 38.460 -0.220 0.000 1.000 309 Y HN 0.176 nan 8.280 nan 0.000 0.549 310 L N -0.906 120.387 121.223 0.117 0.000 2.044 310 L HA -0.151 4.185 4.340 -0.006 0.000 0.205 310 L C 2.121 179.127 176.870 0.226 0.000 1.075 310 L CA 1.729 56.668 54.840 0.165 0.000 0.747 310 L CB -1.167 41.028 42.059 0.227 0.000 0.903 310 L HN 0.223 nan 8.230 nan 0.000 0.435 311 F N -0.545 119.419 119.950 0.023 0.000 2.161 311 F HA -0.293 4.230 4.527 -0.006 0.000 0.300 311 F C 2.429 178.247 175.800 0.030 0.000 1.089 311 F CA 0.464 58.447 58.000 -0.027 0.000 1.282 311 F CB -0.419 38.492 39.000 -0.148 0.000 1.010 311 F HN 0.290 nan 8.300 nan 0.000 0.485 312 A N 0.358 123.322 122.820 0.240 0.000 1.873 312 A HA -0.192 4.125 4.320 -0.006 0.000 0.215 312 A C 1.975 179.488 177.584 -0.118 0.000 1.186 312 A CA 1.418 53.516 52.037 0.102 0.000 0.616 312 A CB -0.995 17.913 19.000 -0.152 0.000 0.823 312 A HN 0.353 nan 8.150 nan 0.000 0.442 313 L N 0.742 121.810 121.223 -0.258 0.000 2.046 313 L HA -0.114 4.222 4.340 -0.006 0.000 0.208 313 L C 2.376 179.270 176.870 0.040 0.000 1.077 313 L CA 2.986 57.671 54.840 -0.257 0.000 0.747 313 L CB -1.193 40.634 42.059 -0.386 0.000 0.896 313 L HN 0.491 nan 8.230 nan 0.000 0.432 314 T N -2.086 112.555 114.554 0.146 0.000 3.155 314 T HA 0.380 4.727 4.350 -0.006 0.000 0.264 314 T C 0.622 175.395 174.700 0.122 0.000 1.160 314 T CA 0.301 62.522 62.100 0.202 0.000 1.075 314 T CB -0.818 68.158 68.868 0.179 0.000 0.921 314 T HN 0.526 nan 8.240 nan 0.000 0.533 315 A N -0.265 122.613 122.820 0.098 0.000 2.479 315 A HA 0.840 5.157 4.320 -0.006 0.000 0.296 315 A C 1.213 178.808 177.584 0.018 0.000 1.121 315 A CA -0.427 51.660 52.037 0.082 0.000 0.743 315 A CB 0.810 19.922 19.000 0.186 0.000 1.323 315 A HN 0.384 nan 8.150 nan 0.000 0.415 316 G N -0.271 108.532 108.800 0.004 0.000 3.933 316 G HA2 -0.096 3.861 3.960 -0.006 0.000 0.298 316 G HA3 -0.096 3.861 3.960 -0.006 0.000 0.298 316 G C 0.277 175.121 174.900 -0.093 0.000 0.858 316 G CA 1.645 46.723 45.100 -0.037 0.000 0.716 316 G HN 1.647 nan 8.290 nan 0.000 1.428 317 V N 1.177 120.984 119.914 -0.178 0.000 2.558 317 V HA 0.263 4.380 4.120 -0.006 0.000 0.261 317 V C -1.658 174.241 176.094 -0.325 0.000 0.958 317 V CA -0.400 61.712 62.300 -0.313 0.000 0.852 317 V CB 1.729 33.327 31.823 -0.375 0.000 1.067 317 V HN 0.438 nan 8.190 nan 0.000 0.468 318 P HA 0.189 nan 4.420 nan 0.000 0.223 318 P C 0.830 177.960 177.300 -0.283 0.000 1.151 318 P CA 1.192 64.099 63.100 -0.322 0.000 0.787 318 P CB 0.423 31.888 31.700 -0.392 0.000 0.788 319 G N -2.486 106.102 108.800 -0.353 0.000 2.321 319 G HA2 0.133 4.089 3.960 -0.006 0.000 0.296 319 G HA3 0.133 4.089 3.960 -0.006 0.000 0.296 319 G C -1.860 172.785 174.900 -0.425 0.000 1.287 319 G CA -0.642 44.261 45.100 -0.329 0.000 0.846 319 G HN -0.121 nan 8.290 nan 0.000 0.508 320 H N 1.819 120.813 119.070 -0.127 0.000 2.724 320 H HA 0.290 4.843 4.556 -0.006 0.000 0.278 320 H C -0.241 175.001 175.328 -0.144 0.000 1.159 320 H CA -0.298 55.671 56.048 -0.131 0.000 1.254 320 H CB 1.234 30.946 29.762 -0.082 0.000 1.412 320 H HN 0.396 nan 8.280 nan 0.000 0.488 321 E N 3.358 123.468 120.200 -0.151 0.000 2.232 321 E HA 0.160 4.506 4.350 -0.006 0.000 0.296 321 E C -0.096 176.391 176.600 -0.189 0.000 1.372 321 E CA -0.385 55.895 56.400 -0.201 0.000 1.527 321 E CB 0.372 29.757 29.700 -0.525 0.000 1.424 321 E HN 0.156 nan 8.360 nan 0.000 0.485 322 V N 1.191 121.056 119.914 -0.082 0.000 2.459 322 V HA 0.230 4.346 4.120 -0.006 0.000 0.295 322 V C -0.309 175.814 176.094 0.048 0.000 1.029 322 V CA -0.945 61.311 62.300 -0.073 0.000 0.874 322 V CB 1.842 33.620 31.823 -0.075 0.000 0.985 322 V HN 0.213 nan 8.190 nan 0.000 0.438 323 D N 2.486 122.948 120.400 0.104 0.000 2.349 323 D HA 0.252 4.888 4.640 -0.006 0.000 0.232 323 D C -0.487 175.849 176.300 0.060 0.000 1.071 323 D CA -0.303 53.780 54.000 0.139 0.000 0.832 323 D CB 1.146 42.120 40.800 0.290 0.000 1.086 323 D HN 0.445 nan 8.370 nan 0.000 0.504 324 D N 3.212 123.650 120.400 0.063 0.000 2.435 324 D HA 0.044 4.681 4.640 -0.006 0.000 0.230 324 D C 1.018 177.284 176.300 -0.057 0.000 1.215 324 D CA -0.313 53.706 54.000 0.032 0.000 0.947 324 D CB 0.435 41.307 40.800 0.121 0.000 1.048 324 D HN 0.295 nan 8.370 nan 0.000 0.512 325 I N 2.403 122.885 120.570 -0.147 0.000 2.185 325 I HA -0.308 3.859 4.170 -0.006 0.000 0.246 325 I C 1.801 177.765 176.117 -0.255 0.000 1.088 325 I CA 1.136 62.279 61.300 -0.261 0.000 1.347 325 I CB -0.275 37.578 38.000 -0.244 0.000 1.041 325 I HN 0.285 nan 8.210 nan 0.000 0.415 326 D N -0.753 119.435 120.400 -0.354 0.000 2.351 326 D HA -0.162 4.475 4.640 -0.006 0.000 0.216 326 D C 1.128 176.937 176.300 -0.819 0.000 0.968 326 D CA 0.669 54.291 54.000 -0.631 0.000 0.899 326 D CB -0.636 39.630 40.800 -0.891 0.000 0.907 326 D HN 0.384 nan 8.370 nan 0.000 0.514 327 H N 0.946 119.687 119.070 -0.549 0.000 3.001 327 H HA -0.065 4.487 4.556 -0.006 0.000 0.334 327 H C 1.089 176.387 175.328 -0.050 0.000 1.034 327 H CA -0.104 55.874 56.048 -0.116 0.000 1.420 327 H CB 0.823 30.594 29.762 0.016 0.000 1.405 327 H HN -0.111 nan 8.280 nan 0.000 0.593 328 L N 4.542 125.980 121.223 0.359 0.000 2.456 328 L HA -0.008 4.329 4.340 -0.006 0.000 0.224 328 L C 2.532 179.562 176.870 0.266 0.000 1.148 328 L CA 1.590 56.609 54.840 0.298 0.000 0.825 328 L CB -0.461 41.772 42.059 0.290 0.000 0.937 328 L HN 0.832 nan 8.230 nan 0.000 0.450 329 G N -1.405 107.551 108.800 0.259 0.000 2.813 329 G HA2 -0.139 3.817 3.960 -0.006 0.000 0.209 329 G HA3 -0.139 3.817 3.960 -0.006 0.000 0.209 329 G C 1.414 176.198 174.900 -0.194 0.000 1.150 329 G CA 0.149 45.140 45.100 -0.183 0.000 0.785 329 G HN 0.359 nan 8.290 nan 0.000 0.535 330 N N -0.017 118.693 118.700 0.016 0.000 2.414 330 N HA 0.087 4.823 4.740 -0.006 0.000 0.177 330 N C 0.521 176.092 175.510 0.102 0.000 1.062 330 N CA 0.076 53.178 53.050 0.086 0.000 0.890 330 N CB 0.635 39.120 38.487 -0.005 0.000 1.070 330 N HN 0.191 nan 8.380 nan 0.000 0.454 331 R N 1.032 121.603 120.500 0.118 0.000 2.255 331 R HA 0.336 4.673 4.340 -0.006 0.000 0.326 331 R C 0.004 176.432 176.300 0.214 0.000 0.986 331 R CA -0.437 55.717 56.100 0.090 0.000 0.847 331 R CB 2.071 32.414 30.300 0.073 0.000 1.111 331 R HN -0.009 nan 8.270 nan 0.000 0.452 332 R N 2.763 123.310 120.500 0.078 0.000 2.598 332 R HA 0.385 4.722 4.340 -0.006 0.000 0.279 332 R C -0.628 175.774 176.300 0.171 0.000 0.984 332 R CA -0.828 55.323 56.100 0.085 0.000 0.999 332 R CB 0.988 31.174 30.300 -0.189 0.000 1.114 332 R HN 0.419 nan 8.270 nan 0.000 0.493 333 I N 2.326 122.971 120.570 0.126 0.000 2.396 333 I HA 0.242 4.408 4.170 -0.006 0.000 0.292 333 I C 0.015 176.190 176.117 0.096 0.000 0.999 333 I CA -0.266 61.109 61.300 0.125 0.000 1.310 333 I CB 1.137 39.195 38.000 0.097 0.000 1.404 333 I HN 0.475 nan 8.210 nan 0.000 0.496 334 R N 5.337 125.885 120.500 0.079 0.000 2.522 334 R HA 0.266 4.602 4.340 -0.006 0.000 0.290 334 R C -0.295 176.043 176.300 0.062 0.000 1.216 334 R CA -0.476 55.648 56.100 0.040 0.000 1.250 334 R CB -0.158 30.129 30.300 -0.022 0.000 1.143 334 R HN 0.666 nan 8.270 nan 0.000 0.553 335 T N -1.610 112.985 114.554 0.069 0.000 2.903 335 T HA -0.008 4.339 4.350 -0.006 0.000 0.314 335 T C 1.959 176.729 174.700 0.118 0.000 1.078 335 T CA -0.817 61.331 62.100 0.080 0.000 1.114 335 T CB 1.002 69.913 68.868 0.072 0.000 0.987 335 T HN 0.127 nan 8.240 nan 0.000 0.548 336 V N 2.871 122.869 119.914 0.139 0.000 2.250 336 V HA -0.241 3.876 4.120 -0.006 0.000 0.253 336 V C 2.952 179.219 176.094 0.289 0.000 1.065 336 V CA 2.469 64.903 62.300 0.222 0.000 1.039 336 V CB -1.959 30.003 31.823 0.232 0.000 0.647 336 V HN 1.165 nan 8.190 nan 0.000 0.446 337 G N -0.643 108.309 108.800 0.254 0.000 2.599 337 G HA2 -0.401 3.556 3.960 -0.006 0.000 0.219 337 G HA3 -0.401 3.556 3.960 -0.006 0.000 0.219 337 G C 1.551 176.504 174.900 0.089 0.000 1.193 337 G CA 1.302 46.492 45.100 0.149 0.000 0.778 337 G HN 0.627 nan 8.290 nan 0.000 0.589 338 E N 0.193 120.450 120.200 0.096 0.000 2.085 338 E HA -0.103 4.243 4.350 -0.006 0.000 0.194 338 E C 2.624 179.285 176.600 0.102 0.000 0.994 338 E CA 0.829 57.300 56.400 0.118 0.000 0.801 338 E CB -0.253 29.566 29.700 0.198 0.000 0.743 338 E HN 0.492 nan 8.360 nan 0.000 0.453 339 L N 0.429 121.731 121.223 0.130 0.000 2.187 339 L HA -0.180 4.156 4.340 -0.006 0.000 0.213 339 L C 2.724 179.563 176.870 -0.051 0.000 1.100 339 L CA 0.843 55.763 54.840 0.133 0.000 0.765 339 L CB -0.322 41.929 42.059 0.320 0.000 0.904 339 L HN 0.355 nan 8.230 nan 0.000 0.437 340 M N -1.250 118.405 119.600 0.092 0.000 2.412 340 M HA -0.103 4.374 4.480 -0.006 0.000 0.263 340 M C 2.341 178.664 176.300 0.039 0.000 1.122 340 M CA 1.516 56.867 55.300 0.084 0.000 1.179 340 M CB -0.137 32.724 32.600 0.434 0.000 1.335 340 M HN 0.101 nan 8.290 nan 0.000 0.465 341 T N 0.974 115.541 114.554 0.022 0.000 2.803 341 T HA -0.184 4.163 4.350 -0.006 0.000 0.269 341 T C 1.490 176.184 174.700 -0.009 0.000 1.052 341 T CA 1.973 64.043 62.100 -0.049 0.000 1.136 341 T CB -0.417 68.316 68.868 -0.224 0.000 0.864 341 T HN 0.469 nan 8.240 nan 0.000 0.467 342 D N 0.127 120.516 120.400 -0.018 0.000 2.077 342 D HA -0.139 4.497 4.640 -0.006 0.000 0.193 342 D C 2.149 178.417 176.300 -0.054 0.000 0.989 342 D CA 1.555 55.552 54.000 -0.005 0.000 0.831 342 D CB -0.331 40.455 40.800 -0.023 0.000 0.979 342 D HN 0.306 nan 8.370 nan 0.000 0.449 343 Q N -0.559 119.112 119.800 -0.215 0.000 2.135 343 Q HA -0.142 4.194 4.340 -0.006 0.000 0.204 343 Q C 2.041 178.004 176.000 -0.063 0.000 0.981 343 Q CA 1.029 56.692 55.803 -0.233 0.000 0.856 343 Q CB -0.815 27.563 28.738 -0.600 0.000 0.902 343 Q HN 0.319 nan 8.270 nan 0.000 0.425 344 F N 0.321 120.178 119.950 -0.156 0.000 2.126 344 F HA -0.155 4.368 4.527 -0.006 0.000 0.299 344 F C 2.249 178.003 175.800 -0.077 0.000 1.096 344 F CA 1.676 59.619 58.000 -0.095 0.000 1.255 344 F CB -0.192 38.748 39.000 -0.099 0.000 0.997 344 F HN 0.042 nan 8.300 nan 0.000 0.479 345 R N -0.507 120.131 120.500 0.229 0.000 2.090 345 R HA -0.093 4.243 4.340 -0.006 0.000 0.228 345 R C 2.217 178.553 176.300 0.060 0.000 1.110 345 R CA 1.262 57.434 56.100 0.119 0.000 0.973 345 R CB -0.511 29.816 30.300 0.045 0.000 0.869 345 R HN 0.197 nan 8.270 nan 0.000 0.440 346 V N 0.002 119.935 119.914 0.032 0.000 2.380 346 V HA -0.232 3.884 4.120 -0.006 0.000 0.251 346 V C 2.247 178.336 176.094 -0.007 0.000 1.063 346 V CA 2.173 64.477 62.300 0.006 0.000 1.055 346 V CB -0.702 31.117 31.823 -0.007 0.000 0.657 346 V HN 0.598 nan 8.190 nan 0.000 0.455 347 G N -0.855 107.936 108.800 -0.015 0.000 2.396 347 G HA2 -0.153 3.803 3.960 -0.006 0.000 0.214 347 G HA3 -0.153 3.803 3.960 -0.006 0.000 0.214 347 G C 1.443 176.316 174.900 -0.045 0.000 1.166 347 G CA 0.481 45.551 45.100 -0.050 0.000 0.793 347 G HN 0.394 nan 8.290 nan 0.000 0.533 348 L N 1.391 122.613 121.223 -0.001 0.000 2.129 348 L HA -0.037 4.299 4.340 -0.006 0.000 0.212 348 L C 3.151 179.975 176.870 -0.077 0.000 1.087 348 L CA 1.724 56.538 54.840 -0.043 0.000 0.757 348 L CB -0.613 41.445 42.059 -0.001 0.000 0.896 348 L HN 0.297 nan 8.230 nan 0.000 0.434 349 A N -0.757 122.037 122.820 -0.044 0.000 1.840 349 A HA -0.161 4.156 4.320 -0.006 0.000 0.214 349 A C 2.371 179.927 177.584 -0.046 0.000 1.198 349 A CA 1.226 53.237 52.037 -0.043 0.000 0.608 349 A CB -0.432 18.556 19.000 -0.020 0.000 0.839 349 A HN 0.333 nan 8.150 nan 0.000 0.443 350 R N -0.957 119.519 120.500 -0.039 0.000 2.133 350 R HA -0.203 4.134 4.340 -0.006 0.000 0.247 350 R C 2.047 178.316 176.300 -0.051 0.000 1.151 350 R CA 1.634 57.711 56.100 -0.038 0.000 0.971 350 R CB -0.669 29.611 30.300 -0.034 0.000 0.866 350 R HN 0.491 nan 8.270 nan 0.000 0.447 351 L N 0.473 121.654 121.223 -0.071 0.000 2.044 351 L HA 0.013 4.349 4.340 -0.006 0.000 0.205 351 L C 2.254 179.069 176.870 -0.092 0.000 1.075 351 L CA 1.888 56.675 54.840 -0.088 0.000 0.747 351 L CB -0.646 41.342 42.059 -0.119 0.000 0.903 351 L HN 0.116 nan 8.230 nan 0.000 0.435 352 A N -0.481 122.278 122.820 -0.102 0.000 2.070 352 A HA -0.193 4.123 4.320 -0.006 0.000 0.220 352 A C 2.334 179.881 177.584 -0.062 0.000 1.159 352 A CA 1.629 53.608 52.037 -0.097 0.000 0.656 352 A CB -0.565 18.374 19.000 -0.101 0.000 0.800 352 A HN 0.552 nan 8.150 nan 0.000 0.453 353 R N -1.165 119.305 120.500 -0.050 0.000 2.093 353 R HA 0.012 4.348 4.340 -0.006 0.000 0.224 353 R C 2.344 178.625 176.300 -0.032 0.000 1.101 353 R CA 0.925 57.005 56.100 -0.034 0.000 0.979 353 R CB -0.378 29.907 30.300 -0.026 0.000 0.877 353 R HN 0.472 nan 8.270 nan 0.000 0.441 354 G N 0.350 109.126 108.800 -0.039 0.000 2.426 354 G HA2 -0.167 3.789 3.960 -0.006 0.000 0.214 354 G HA3 -0.167 3.789 3.960 -0.006 0.000 0.214 354 G C 1.373 176.251 174.900 -0.036 0.000 1.156 354 G CA 0.264 45.343 45.100 -0.034 0.000 0.802 354 G HN 0.185 nan 8.290 nan 0.000 0.534 355 V N 0.721 120.606 119.914 -0.047 0.000 2.407 355 V HA -0.095 4.022 4.120 -0.006 0.000 0.248 355 V C 2.842 178.916 176.094 -0.032 0.000 1.055 355 V CA 2.078 64.350 62.300 -0.046 0.000 1.049 355 V CB -0.397 31.387 31.823 -0.066 0.000 0.662 355 V HN 0.364 nan 8.190 nan 0.000 0.455 356 R N -0.045 120.437 120.500 -0.031 0.000 2.117 356 R HA -0.197 4.139 4.340 -0.006 0.000 0.243 356 R C 2.203 178.496 176.300 -0.013 0.000 1.143 356 R CA 2.207 58.296 56.100 -0.020 0.000 0.968 356 R CB -0.335 29.955 30.300 -0.018 0.000 0.863 356 R HN 0.679 nan 8.270 nan 0.000 0.444 357 E N -0.178 120.014 120.200 -0.014 0.000 2.150 357 E HA -0.174 4.173 4.350 -0.006 0.000 0.193 357 E C 1.810 178.405 176.600 -0.008 0.000 0.985 357 E CA 0.831 57.225 56.400 -0.010 0.000 0.814 357 E CB -0.013 29.680 29.700 -0.011 0.000 0.752 357 E HN 0.202 nan 8.360 nan 0.000 0.466 358 R N -0.086 120.408 120.500 -0.011 0.000 2.310 358 R HA 0.142 4.478 4.340 -0.006 0.000 0.202 358 R C 1.816 178.117 176.300 0.000 0.000 0.933 358 R CA 0.124 56.220 56.100 -0.007 0.000 1.054 358 R CB 0.171 30.464 30.300 -0.013 0.000 0.985 358 R HN 0.082 nan 8.270 nan 0.000 0.489 359 M N -0.009 119.592 119.600 0.001 0.000 2.595 359 M HA 0.051 4.527 4.480 -0.006 0.000 0.248 359 M C 0.837 177.146 176.300 0.015 0.000 1.119 359 M CA 1.337 56.643 55.300 0.010 0.000 1.079 359 M CB 0.219 32.823 32.600 0.007 0.000 1.472 359 M HN 0.203 nan 8.290 nan 0.000 0.501 360 L N -2.164 119.065 121.223 0.009 0.000 2.537 360 L HA 0.032 4.368 4.340 -0.006 0.000 0.224 360 L C 2.067 178.942 176.870 0.007 0.000 1.065 360 L CA 0.007 54.853 54.840 0.009 0.000 0.860 360 L CB -0.355 41.707 42.059 0.006 0.000 1.086 360 L HN 0.134 nan 8.230 nan 0.000 0.482 361 M N 0.691 120.294 119.600 0.005 0.000 2.200 361 M HA 0.125 4.601 4.480 -0.006 0.000 0.265 361 M C 1.279 177.582 176.300 0.005 0.000 1.066 361 M CA 0.522 55.823 55.300 0.003 0.000 1.127 361 M CB -0.320 32.280 32.600 -0.001 0.000 1.379 361 M HN 0.096 nan 8.290 nan 0.000 0.420 362 G N 0.053 108.859 108.800 0.010 0.000 2.299 362 G HA2 0.225 4.181 3.960 -0.006 0.000 0.256 362 G HA3 0.225 4.181 3.960 -0.006 0.000 0.256 362 G C 0.663 175.571 174.900 0.014 0.000 1.259 362 G CA 0.155 45.264 45.100 0.014 0.000 0.943 362 G HN 0.436 nan 8.290 nan 0.000 0.479 363 S N 2.203 117.908 115.700 0.008 0.000 2.521 363 S HA -0.192 4.274 4.470 -0.006 0.000 0.246 363 S C 1.799 176.399 174.600 0.001 0.000 1.059 363 S CA 1.815 60.017 58.200 0.002 0.000 1.302 363 S CB -0.126 63.073 63.200 -0.002 0.000 1.216 363 S HN 0.806 nan 8.310 nan 0.000 0.421 364 E N -1.827 118.369 120.200 -0.007 0.000 3.441 364 E HA 0.143 4.490 4.350 -0.006 0.000 0.195 364 E C 1.294 177.866 176.600 -0.048 0.000 1.172 364 E CA 0.075 56.459 56.400 -0.025 0.000 1.457 364 E CB 0.308 29.982 29.700 -0.044 0.000 1.388 364 E HN 0.261 nan 8.360 nan 0.000 0.551 365 D N -0.130 120.228 120.400 -0.069 0.000 2.415 365 D HA 0.095 4.732 4.640 -0.006 0.000 0.269 365 D C -0.059 176.257 176.300 0.027 0.000 1.099 365 D CA 0.231 54.156 54.000 -0.124 0.000 0.865 365 D CB 0.801 41.426 40.800 -0.292 0.000 1.359 365 D HN -0.114 nan 8.370 nan 0.000 0.506 366 S N 1.436 117.145 115.700 0.016 0.000 4.117 366 S HA 0.131 4.598 4.470 -0.006 0.000 0.191 366 S C 1.036 175.663 174.600 0.046 0.000 1.308 366 S CA -0.048 58.172 58.200 0.034 0.000 0.906 366 S CB -0.600 62.608 63.200 0.013 0.000 1.565 366 S HN 0.357 nan 8.310 nan 0.000 0.439 367 L N -1.787 119.484 121.223 0.080 0.000 3.366 367 L HA 0.474 4.811 4.340 -0.006 0.000 0.304 367 L C 0.849 177.749 176.870 0.050 0.000 1.292 367 L CA -0.442 54.436 54.840 0.063 0.000 1.012 367 L CB -0.140 41.968 42.059 0.080 0.000 1.414 367 L HN 0.038 nan 8.230 nan 0.000 0.603 368 T N 0.465 115.048 114.554 0.049 0.000 2.781 368 T HA 0.129 4.476 4.350 -0.006 0.000 0.252 368 T C -0.671 174.041 174.700 0.021 0.000 1.039 368 T CA 1.596 63.715 62.100 0.033 0.000 1.147 368 T CB -0.558 68.333 68.868 0.039 0.000 0.865 368 T HN 0.386 nan 8.240 nan 0.000 0.423 369 P HA 0.232 nan 4.420 nan 0.000 0.200 369 P C 1.485 178.778 177.300 -0.012 0.000 1.204 369 P CA 0.885 63.987 63.100 0.003 0.000 0.886 369 P CB -0.301 31.398 31.700 -0.002 0.000 0.718 370 A N -0.146 122.663 122.820 -0.019 0.000 2.024 370 A HA -0.148 4.169 4.320 -0.006 0.000 0.220 370 A C 2.054 179.626 177.584 -0.020 0.000 1.164 370 A CA 1.809 53.830 52.037 -0.027 0.000 0.643 370 A CB -1.139 17.845 19.000 -0.027 0.000 0.806 370 A HN 0.136 nan 8.150 nan 0.000 0.451 371 K N -1.490 118.905 120.400 -0.008 0.000 2.525 371 K HA 0.263 4.580 4.320 -0.006 0.000 0.192 371 K C 0.157 176.752 176.600 -0.008 0.000 1.029 371 K CA 0.476 56.761 56.287 -0.004 0.000 1.029 371 K CB 0.058 32.564 32.500 0.010 0.000 0.814 371 K HN 0.375 nan 8.250 nan 0.000 0.503 372 L N -1.421 119.792 121.223 -0.017 0.000 3.826 372 L HA 0.195 4.532 4.340 -0.006 0.000 0.362 372 L C -1.271 175.572 176.870 -0.046 0.000 1.235 372 L CA -0.043 54.781 54.840 -0.027 0.000 1.207 372 L CB 1.587 43.634 42.059 -0.020 0.000 1.518 372 L HN -0.312 nan 8.230 nan 0.000 0.628 373 V N 1.731 121.617 119.914 -0.046 0.000 2.612 373 V HA 0.520 4.636 4.120 -0.006 0.000 0.301 373 V C -1.185 174.872 176.094 -0.062 0.000 1.059 373 V CA -0.706 61.558 62.300 -0.061 0.000 0.886 373 V CB 2.103 33.893 31.823 -0.055 0.000 1.007 373 V HN 0.372 nan 8.190 nan 0.000 0.426 374 N N 2.403 121.063 118.700 -0.067 0.000 2.491 374 N HA 0.149 4.885 4.740 -0.006 0.000 0.274 374 N C 0.535 176.002 175.510 -0.072 0.000 1.023 374 N CA -0.321 52.691 53.050 -0.063 0.000 0.902 374 N CB 1.923 40.379 38.487 -0.051 0.000 1.267 374 N HN 0.517 nan 8.380 nan 0.000 0.503 375 S N 1.575 117.229 115.700 -0.077 0.000 2.547 375 S HA -0.075 4.391 4.470 -0.006 0.000 0.235 375 S C 1.540 176.097 174.600 -0.072 0.000 0.980 375 S CA -0.025 58.124 58.200 -0.086 0.000 0.941 375 S CB -0.064 63.078 63.200 -0.098 0.000 0.763 375 S HN 0.418 nan 8.310 nan 0.000 0.532 376 R N 2.143 122.611 120.500 -0.054 0.000 2.096 376 R HA -0.011 4.325 4.340 -0.006 0.000 0.240 376 R C -0.577 175.697 176.300 -0.044 0.000 1.139 376 R CA 1.518 57.595 56.100 -0.040 0.000 0.952 376 R CB -2.333 27.948 30.300 -0.031 0.000 0.854 376 R HN 0.402 nan 8.270 nan 0.000 0.436 377 P HA -0.119 nan 4.420 nan 0.000 0.210 377 P C 1.615 178.871 177.300 -0.074 0.000 1.191 377 P CA 0.602 63.669 63.100 -0.055 0.000 0.917 377 P CB -0.223 31.442 31.700 -0.058 0.000 0.778 378 L N -0.341 120.818 121.223 -0.106 0.000 2.151 378 L HA -0.248 4.088 4.340 -0.006 0.000 0.215 378 L C 2.058 178.834 176.870 -0.157 0.000 1.084 378 L CA 2.037 56.780 54.840 -0.161 0.000 0.764 378 L CB -1.002 40.939 42.059 -0.197 0.000 0.891 378 L HN -0.120 nan 8.230 nan 0.000 0.435 379 E N -0.467 119.668 120.200 -0.109 0.000 2.008 379 E HA -0.079 4.268 4.350 -0.006 0.000 0.191 379 E C 2.225 178.798 176.600 -0.045 0.000 0.986 379 E CA 1.497 57.850 56.400 -0.077 0.000 0.807 379 E CB -0.634 29.043 29.700 -0.039 0.000 0.766 379 E HN 0.531 nan 8.360 nan 0.000 0.450 380 A N 1.032 123.836 122.820 -0.026 0.000 1.917 380 A HA -0.217 4.100 4.320 -0.006 0.000 0.219 380 A C 2.318 179.912 177.584 0.016 0.000 1.182 380 A CA 2.517 54.554 52.037 0.000 0.000 0.633 380 A CB -1.168 17.833 19.000 0.001 0.000 0.819 380 A HN 0.336 nan 8.150 nan 0.000 0.448 381 A N 0.085 122.903 122.820 -0.004 0.000 1.827 381 A HA -0.131 4.186 4.320 -0.006 0.000 0.215 381 A C 2.097 179.720 177.584 0.066 0.000 1.212 381 A CA 1.635 53.682 52.037 0.017 0.000 0.624 381 A CB -0.975 18.006 19.000 -0.032 0.000 0.853 381 A HN 0.486 nan 8.150 nan 0.000 0.450 382 I N -0.738 119.829 120.570 -0.005 0.000 2.145 382 I HA -0.351 3.815 4.170 -0.006 0.000 0.244 382 I C 2.737 178.934 176.117 0.134 0.000 1.075 382 I CA 2.148 63.475 61.300 0.045 0.000 1.332 382 I CB -0.386 37.505 38.000 -0.182 0.000 1.033 382 I HN 0.429 nan 8.210 nan 0.000 0.410 383 R N 1.478 121.993 120.500 0.025 0.000 2.094 383 R HA -0.264 4.072 4.340 -0.006 0.000 0.239 383 R C 2.117 178.505 176.300 0.147 0.000 1.137 383 R CA 2.295 58.421 56.100 0.043 0.000 0.943 383 R CB -0.719 29.590 30.300 0.014 0.000 0.850 383 R HN 0.470 nan 8.270 nan 0.000 0.433 384 E N -1.261 119.027 120.200 0.147 0.000 2.153 384 E HA -0.212 4.135 4.350 -0.006 0.000 0.194 384 E C 1.648 178.389 176.600 0.235 0.000 0.988 384 E CA 1.207 57.702 56.400 0.159 0.000 0.811 384 E CB -0.286 29.493 29.700 0.130 0.000 0.746 384 E HN 0.439 nan 8.360 nan 0.000 0.466 385 F N -0.239 119.818 119.950 0.178 0.000 2.234 385 F HA -0.076 4.448 4.527 -0.006 0.000 0.299 385 F C 1.329 177.311 175.800 0.304 0.000 1.087 385 F CA 1.058 59.195 58.000 0.229 0.000 1.340 385 F CB -0.065 39.100 39.000 0.276 0.000 1.031 385 F HN 0.025 nan 8.300 nan 0.000 0.500 386 F N -0.302 119.622 119.950 -0.043 0.000 2.698 386 F HA 0.052 4.575 4.527 -0.006 0.000 0.295 386 F C 2.540 178.309 175.800 -0.051 0.000 1.124 386 F CA 0.866 58.804 58.000 -0.105 0.000 1.426 386 F CB -0.592 38.405 39.000 -0.005 0.000 1.120 386 F HN 0.061 nan 8.300 nan 0.000 0.583 387 S N -1.383 114.422 115.700 0.175 0.000 2.527 387 S HA 0.159 4.625 4.470 -0.006 0.000 0.227 387 S C 1.690 176.331 174.600 0.069 0.000 1.059 387 S CA -0.064 58.207 58.200 0.118 0.000 0.919 387 S CB 0.221 63.489 63.200 0.114 0.000 0.805 387 S HN 0.151 nan 8.310 nan 0.000 0.500 388 R N 1.747 122.281 120.500 0.057 0.000 2.394 388 R HA 0.363 4.699 4.340 -0.006 0.000 0.220 388 R C 0.543 176.851 176.300 0.014 0.000 0.887 388 R CA 0.403 56.527 56.100 0.039 0.000 1.034 388 R CB 0.456 30.791 30.300 0.057 0.000 1.179 388 R HN 0.404 nan 8.270 nan 0.000 0.561 389 S N 0.821 116.511 115.700 -0.017 0.000 2.596 389 S HA -0.130 4.337 4.470 -0.006 0.000 0.298 389 S C 1.177 175.740 174.600 -0.062 0.000 1.255 389 S CA -0.095 58.084 58.200 -0.036 0.000 1.083 389 S CB 0.889 63.958 63.200 -0.219 0.000 0.837 389 S HN 0.419 nan 8.310 nan 0.000 0.499 390 Q N 2.986 122.780 119.800 -0.010 0.000 2.248 390 Q HA -0.156 4.181 4.340 -0.006 0.000 0.208 390 Q C 1.595 177.574 176.000 -0.034 0.000 0.984 390 Q CA 1.492 57.285 55.803 -0.017 0.000 0.875 390 Q CB -0.199 28.542 28.738 0.006 0.000 0.910 390 Q HN 0.865 nan 8.270 nan 0.000 0.433 391 L N -0.105 121.093 121.223 -0.042 0.000 2.551 391 L HA 0.107 4.443 4.340 -0.006 0.000 0.228 391 L C 0.308 177.118 176.870 -0.099 0.000 1.153 391 L CA 0.741 55.551 54.840 -0.049 0.000 0.851 391 L CB 0.239 42.295 42.059 -0.005 0.000 0.959 391 L HN 0.021 nan 8.230 nan 0.000 0.451 392 S N -0.569 115.047 115.700 -0.140 0.000 2.536 392 S HA 0.721 5.187 4.470 -0.006 0.000 0.298 392 S C -0.770 173.804 174.600 -0.043 0.000 1.083 392 S CA -0.666 57.458 58.200 -0.126 0.000 0.995 392 S CB 1.026 64.072 63.200 -0.257 0.000 1.058 392 S HN 0.396 nan 8.310 nan 0.000 0.488 393 Q N 2.619 122.434 119.800 0.026 0.000 2.832 393 Q HA 0.369 4.705 4.340 -0.006 0.000 0.331 393 Q C -1.241 174.873 176.000 0.189 0.000 0.833 393 Q CA -0.759 55.085 55.803 0.067 0.000 0.794 393 Q CB 0.006 28.753 28.738 0.015 0.000 1.387 393 Q HN 0.652 nan 8.270 nan 0.000 0.508 394 F N 1.613 121.539 119.950 -0.040 0.000 2.608 394 F HA 0.071 4.594 4.527 -0.006 0.000 0.380 394 F C 1.337 177.012 175.800 -0.207 0.000 1.083 394 F CA -0.323 57.628 58.000 -0.083 0.000 1.266 394 F CB 0.581 39.554 39.000 -0.045 0.000 1.076 394 F HN 0.359 nan 8.300 nan 0.000 0.574 395 K N 4.180 124.523 120.400 -0.096 0.000 2.382 395 K HA -0.081 4.236 4.320 -0.006 0.000 0.286 395 K C -0.044 176.424 176.600 -0.220 0.000 1.062 395 K CA -0.416 55.684 56.287 -0.313 0.000 1.000 395 K CB 0.219 32.585 32.500 -0.224 0.000 0.954 395 K HN 0.475 nan 8.250 nan 0.000 0.470 396 D N 5.285 125.518 120.400 -0.278 0.000 2.441 396 D HA -0.062 4.575 4.640 -0.006 0.000 0.243 396 D C -0.360 175.896 176.300 -0.073 0.000 1.257 396 D CA 0.196 54.152 54.000 -0.073 0.000 1.027 396 D CB 0.288 41.131 40.800 0.071 0.000 1.084 396 D HN 0.685 nan 8.370 nan 0.000 0.514 397 E N 1.081 121.230 120.200 -0.084 0.000 2.830 397 E HA 0.127 4.473 4.350 -0.006 0.000 0.225 397 E C 0.638 177.194 176.600 -0.073 0.000 1.109 397 E CA -0.405 55.952 56.400 -0.072 0.000 1.392 397 E CB 0.167 29.821 29.700 -0.077 0.000 1.349 397 E HN 0.010 nan 8.360 nan 0.000 0.433 398 T N 1.121 115.622 114.554 -0.090 0.000 2.869 398 T HA -0.172 4.174 4.350 -0.006 0.000 0.270 398 T C 0.315 174.980 174.700 -0.059 0.000 1.082 398 T CA 1.894 63.917 62.100 -0.127 0.000 1.123 398 T CB -0.472 68.307 68.868 -0.148 0.000 0.856 398 T HN 0.697 nan 8.240 nan 0.000 0.499 399 N N -2.019 116.662 118.700 -0.033 0.000 3.348 399 N HA 0.206 4.942 4.740 -0.006 0.000 0.233 399 N C -3.095 172.409 175.510 -0.010 0.000 1.440 399 N CA -1.263 51.780 53.050 -0.011 0.000 0.887 399 N CB 0.650 39.144 38.487 0.011 0.000 1.410 399 N HN -0.343 nan 8.380 nan 0.000 0.502 400 P HA -0.188 nan 4.420 nan 0.000 0.217 400 P C 1.494 178.793 177.300 -0.001 0.000 1.158 400 P CA 1.134 64.230 63.100 -0.007 0.000 0.887 400 P CB 0.117 31.818 31.700 0.002 0.000 0.792 401 L N -0.302 120.928 121.223 0.012 0.000 1.970 401 L HA -0.218 4.118 4.340 -0.006 0.000 0.212 401 L C 2.207 179.088 176.870 0.019 0.000 1.071 401 L CA 2.294 57.144 54.840 0.016 0.000 0.751 401 L CB -1.460 40.614 42.059 0.026 0.000 0.889 401 L HN -0.087 nan 8.230 nan 0.000 0.432 402 S N -0.849 114.863 115.700 0.020 0.000 2.381 402 S HA -0.326 4.140 4.470 -0.006 0.000 0.230 402 S C 2.093 176.719 174.600 0.043 0.000 1.052 402 S CA 1.777 59.995 58.200 0.031 0.000 1.068 402 S CB -1.096 62.112 63.200 0.013 0.000 0.918 402 S HN 0.710 nan 8.310 nan 0.000 0.448 403 S N 1.461 117.165 115.700 0.007 0.000 2.354 403 S HA -0.111 4.356 4.470 -0.006 0.000 0.219 403 S C 1.872 176.481 174.600 0.014 0.000 1.035 403 S CA 1.351 59.543 58.200 -0.014 0.000 1.037 403 S CB -0.664 62.511 63.200 -0.043 0.000 0.956 403 S HN 0.318 nan 8.310 nan 0.000 0.428 404 L N 2.176 123.400 121.223 0.002 0.000 2.043 404 L HA -0.074 4.263 4.340 -0.006 0.000 0.212 404 L C 2.674 179.554 176.870 0.016 0.000 1.075 404 L CA 2.295 57.134 54.840 -0.000 0.000 0.752 404 L CB -0.817 41.237 42.059 -0.008 0.000 0.891 404 L HN 0.397 nan 8.230 nan 0.000 0.432 405 R N -1.889 118.629 120.500 0.030 0.000 2.066 405 R HA -0.222 4.114 4.340 -0.006 0.000 0.232 405 R C 2.544 178.865 176.300 0.035 0.000 1.131 405 R CA 1.414 57.530 56.100 0.026 0.000 0.955 405 R CB -0.545 29.770 30.300 0.025 0.000 0.851 405 R HN 0.559 nan 8.270 nan 0.000 0.432 406 H N 1.035 120.088 119.070 -0.028 0.000 2.422 406 H HA -0.103 4.449 4.556 -0.006 0.000 0.298 406 H C 1.442 176.738 175.328 -0.053 0.000 1.098 406 H CA 1.880 57.907 56.048 -0.035 0.000 1.315 406 H CB 0.238 29.980 29.762 -0.034 0.000 1.382 406 H HN 0.142 nan 8.280 nan 0.000 0.523 407 K N 0.253 120.737 120.400 0.141 0.000 2.097 407 K HA -0.112 4.204 4.320 -0.006 0.000 0.206 407 K C 1.187 177.785 176.600 -0.002 0.000 1.049 407 K CA 1.386 57.704 56.287 0.051 0.000 0.933 407 K CB 0.094 32.586 32.500 -0.014 0.000 0.717 407 K HN 0.359 nan 8.250 nan 0.000 0.442 408 R N 0.800 121.293 120.500 -0.010 0.000 3.463 408 R HA 0.247 4.583 4.340 -0.006 0.000 0.303 408 R C -0.604 175.674 176.300 -0.037 0.000 1.370 408 R CA -0.541 55.547 56.100 -0.021 0.000 1.524 408 R CB 0.347 30.639 30.300 -0.014 0.000 1.389 408 R HN -0.107 nan 8.270 nan 0.000 0.640 409 R N 1.818 122.277 120.500 -0.068 0.000 2.686 409 R HA 0.445 4.781 4.340 -0.006 0.000 0.286 409 R C -1.318 174.939 176.300 -0.072 0.000 0.969 409 R CA -0.814 55.231 56.100 -0.093 0.000 0.898 409 R CB 1.213 31.399 30.300 -0.189 0.000 1.183 409 R HN 0.304 nan 8.270 nan 0.000 0.456 410 I N 1.565 122.105 120.570 -0.049 0.000 2.562 410 I HA 0.419 4.585 4.170 -0.006 0.000 0.301 410 I C -0.121 175.982 176.117 -0.023 0.000 1.003 410 I CA -0.268 61.019 61.300 -0.021 0.000 1.127 410 I CB 2.025 40.026 38.000 0.003 0.000 1.304 410 I HN 0.578 nan 8.210 nan 0.000 0.446 411 S N 2.441 118.139 115.700 -0.004 0.000 2.564 411 S HA 0.821 5.288 4.470 -0.006 0.000 0.274 411 S C 0.317 174.934 174.600 0.030 0.000 1.124 411 S CA 0.077 58.278 58.200 0.002 0.000 0.869 411 S CB 1.720 64.910 63.200 -0.016 0.000 1.105 411 S HN 0.711 nan 8.310 nan 0.000 0.472 412 A N 2.697 125.538 122.820 0.035 0.000 1.901 412 A HA 0.401 4.717 4.320 -0.006 0.000 0.210 412 A C 0.286 177.897 177.584 0.045 0.000 1.208 412 A CA 0.365 52.434 52.037 0.053 0.000 0.644 412 A CB -0.879 18.155 19.000 0.057 0.000 0.863 412 A HN 0.690 nan 8.150 nan 0.000 0.454 413 L N 0.451 121.692 121.223 0.030 0.000 2.640 413 L HA 0.341 4.677 4.340 -0.006 0.000 0.280 413 L C 0.968 177.856 176.870 0.031 0.000 1.229 413 L CA 1.258 56.113 54.840 0.025 0.000 0.919 413 L CB -0.477 41.588 42.059 0.010 0.000 1.168 413 L HN 0.481 nan 8.230 nan 0.000 0.496 414 G N 2.303 111.127 108.800 0.039 0.000 2.619 414 G HA2 0.354 4.311 3.960 -0.006 0.000 0.146 414 G HA3 0.354 4.311 3.960 -0.006 0.000 0.146 414 G C -2.170 172.766 174.900 0.059 0.000 1.192 414 G CA 0.024 45.154 45.100 0.050 0.000 1.063 414 G HN 0.379 nan 8.290 nan 0.000 0.538 415 P HA 0.024 nan 4.420 nan 0.000 0.207 415 P C 1.370 178.706 177.300 0.060 0.000 1.115 415 P CA 3.670 66.811 63.100 0.068 0.000 0.956 415 P CB -0.052 31.681 31.700 0.054 0.000 0.774 416 G N -4.490 104.346 108.800 0.060 0.000 3.465 416 G HA2 -0.048 3.909 3.960 -0.006 0.000 0.219 416 G HA3 -0.048 3.909 3.960 -0.006 0.000 0.219 416 G C 1.136 176.078 174.900 0.071 0.000 0.984 416 G CA 0.253 45.387 45.100 0.056 0.000 0.864 416 G HN 0.581 nan 8.290 nan 0.000 0.485 417 G N 0.170 109.025 108.800 0.092 0.000 2.985 417 G HA2 0.454 4.410 3.960 -0.006 0.000 0.209 417 G HA3 0.454 4.410 3.960 -0.006 0.000 0.209 417 G C 0.211 175.218 174.900 0.178 0.000 1.165 417 G CA 0.513 45.701 45.100 0.147 0.000 0.776 417 G HN 0.352 nan 8.290 nan 0.000 0.541 418 L N 1.090 122.389 121.223 0.126 0.000 2.404 418 L HA 0.386 4.722 4.340 -0.006 0.000 0.272 418 L C 0.307 177.239 176.870 0.103 0.000 0.980 418 L CA -0.579 54.343 54.840 0.137 0.000 0.836 418 L CB 0.232 42.355 42.059 0.107 0.000 1.238 418 L HN 0.097 nan 8.230 nan 0.000 0.408 419 T N 3.824 118.442 114.554 0.106 0.000 0.551 419 T HA -0.191 4.156 4.350 -0.006 0.000 0.773 419 T C 0.769 175.502 174.700 0.054 0.000 0.992 419 T CA 0.920 63.065 62.100 0.076 0.000 4.071 419 T CB 0.173 69.087 68.868 0.077 0.000 2.300 419 T HN 0.856 nan 8.240 nan 0.000 0.398 420 R N 4.157 124.680 120.500 0.040 0.000 3.139 420 R HA 0.531 4.867 4.340 -0.006 0.000 0.218 420 R C 0.832 177.142 176.300 0.017 0.000 1.637 420 R CA -0.694 55.422 56.100 0.026 0.000 0.971 420 R CB 0.163 30.474 30.300 0.019 0.000 2.211 420 R HN 0.574 nan 8.270 nan 0.000 0.535 421 E N 0.706 120.910 120.200 0.007 0.000 2.474 421 E HA 0.031 4.378 4.350 -0.006 0.000 0.195 421 E C 1.708 178.303 176.600 -0.007 0.000 1.039 421 E CA 0.165 56.563 56.400 -0.003 0.000 0.881 421 E CB 0.429 30.124 29.700 -0.008 0.000 0.970 421 E HN 0.480 nan 8.360 nan 0.000 0.486 422 R N 0.242 120.742 120.500 0.000 0.000 2.153 422 R HA 0.224 4.560 4.340 -0.006 0.000 0.218 422 R C 1.215 177.521 176.300 0.010 0.000 1.072 422 R CA 0.825 56.926 56.100 0.002 0.000 0.990 422 R CB 0.015 30.317 30.300 0.003 0.000 0.889 422 R HN -0.064 nan 8.270 nan 0.000 0.452 423 A N -0.465 122.365 122.820 0.017 0.000 2.263 423 A HA 0.701 5.018 4.320 -0.006 0.000 0.318 423 A C 0.811 178.412 177.584 0.028 0.000 1.111 423 A CA -0.200 51.857 52.037 0.034 0.000 0.901 423 A CB 1.113 20.137 19.000 0.040 0.000 1.280 423 A HN 0.355 nan 8.150 nan 0.000 0.503 424 G N -2.183 106.652 108.800 0.058 0.000 3.345 424 G HA2 -0.166 3.791 3.960 -0.006 0.000 0.199 424 G HA3 -0.166 3.791 3.960 -0.006 0.000 0.199 424 G C 0.985 175.957 174.900 0.120 0.000 1.057 424 G CA 0.413 45.544 45.100 0.051 0.000 0.865 424 G HN 0.573 nan 8.290 nan 0.000 0.449 425 F N 2.465 122.432 119.950 0.028 0.000 2.236 425 F HA -0.091 4.433 4.527 -0.006 0.000 0.302 425 F C 2.566 178.386 175.800 0.033 0.000 1.073 425 F CA 1.896 59.913 58.000 0.030 0.000 1.336 425 F CB 0.365 39.380 39.000 0.024 0.000 1.040 425 F HN 0.379 nan 8.300 nan 0.000 0.507 426 D N -1.219 119.326 120.400 0.240 0.000 2.355 426 D HA -0.050 4.587 4.640 -0.006 0.000 0.206 426 D C 1.837 178.206 176.300 0.115 0.000 1.010 426 D CA 0.705 54.788 54.000 0.138 0.000 0.875 426 D CB -0.645 40.201 40.800 0.076 0.000 0.966 426 D HN 0.214 nan 8.370 nan 0.000 0.512 427 V N 1.196 121.180 119.914 0.117 0.000 2.379 427 V HA -0.046 4.071 4.120 -0.006 0.000 0.243 427 V C 2.514 178.696 176.094 0.146 0.000 1.035 427 V CA 0.973 63.335 62.300 0.103 0.000 1.035 427 V CB -0.624 31.249 31.823 0.083 0.000 0.673 427 V HN 0.051 nan 8.190 nan 0.000 0.457 428 R N 0.734 121.316 120.500 0.138 0.000 2.293 428 R HA -0.055 4.281 4.340 -0.006 0.000 0.219 428 R C 0.011 176.415 176.300 0.172 0.000 1.091 428 R CA 0.544 56.723 56.100 0.131 0.000 1.004 428 R CB -0.384 29.962 30.300 0.076 0.000 0.865 428 R HN 0.587 nan 8.270 nan 0.000 0.469 429 D N 0.704 121.220 120.400 0.194 0.000 2.302 429 D HA -0.002 4.635 4.640 -0.006 0.000 0.248 429 D C -0.201 176.233 176.300 0.224 0.000 1.094 429 D CA -0.158 53.955 54.000 0.188 0.000 0.897 429 D CB 1.904 42.799 40.800 0.158 0.000 1.200 429 D HN -0.195 nan 8.370 nan 0.000 0.429 430 V N 3.837 123.884 119.914 0.221 0.000 2.359 430 V HA -0.040 4.076 4.120 -0.006 0.000 0.248 430 V C 0.182 176.380 176.094 0.173 0.000 1.091 430 V CA -0.020 62.477 62.300 0.328 0.000 1.103 430 V CB -1.005 30.960 31.823 0.236 0.000 1.176 430 V HN 0.482 nan 8.190 nan 0.000 0.488 431 H N 6.153 125.140 119.070 -0.139 0.000 2.895 431 H HA 0.199 4.752 4.556 -0.006 0.000 0.371 431 H C 1.510 176.721 175.328 -0.196 0.000 1.219 431 H CA 0.636 56.507 56.048 -0.294 0.000 1.431 431 H CB 0.817 30.253 29.762 -0.544 0.000 1.414 431 H HN 0.649 nan 8.280 nan 0.000 0.617 432 R N 1.501 121.393 120.500 -1.013 0.000 2.073 432 R HA -0.104 4.232 4.340 -0.006 0.000 0.234 432 R C 1.821 177.921 176.300 -0.332 0.000 1.134 432 R CA 1.861 57.608 56.100 -0.589 0.000 0.952 432 R CB -1.078 28.842 30.300 -0.633 0.000 0.850 432 R HN 0.646 nan 8.270 nan 0.000 0.433 433 T N 0.793 115.151 114.554 -0.328 0.000 3.025 433 T HA -0.105 4.242 4.350 -0.006 0.000 0.270 433 T C 0.831 175.626 174.700 0.159 0.000 1.126 433 T CA 0.808 62.874 62.100 -0.057 0.000 1.105 433 T CB -0.426 68.411 68.868 -0.051 0.000 0.884 433 T HN 0.478 nan 8.240 nan 0.000 0.522 434 H N 0.392 119.528 119.070 0.109 0.000 4.313 434 H HA 0.129 4.682 4.556 -0.006 0.000 0.194 434 H C -0.715 174.693 175.328 0.133 0.000 1.339 434 H CA -0.453 55.666 56.048 0.118 0.000 1.317 434 H CB -0.538 29.290 29.762 0.110 0.000 1.521 434 H HN 0.289 nan 8.280 nan 0.000 0.809 435 Y N -0.217 120.129 120.300 0.075 0.000 2.350 435 Y HA 0.330 4.876 4.550 -0.006 0.000 0.338 435 Y C 0.968 176.855 175.900 -0.022 0.000 0.961 435 Y CA -0.408 57.689 58.100 -0.006 0.000 1.100 435 Y CB 1.456 39.911 38.460 -0.008 0.000 1.179 435 Y HN 0.410 nan 8.280 nan 0.000 0.454 436 G N 4.650 113.213 108.800 -0.395 0.000 2.212 436 G HA2 -0.338 3.618 3.960 -0.006 0.000 0.267 436 G HA3 -0.338 3.618 3.960 -0.006 0.000 0.267 436 G C 0.856 175.705 174.900 -0.085 0.000 1.002 436 G CA 1.135 46.060 45.100 -0.291 0.000 0.729 436 G HN 0.733 nan 8.290 nan 0.000 0.517 437 R N -1.474 119.015 120.500 -0.018 0.000 2.561 437 R HA 0.474 4.810 4.340 -0.006 0.000 0.213 437 R C 0.526 176.842 176.300 0.026 0.000 0.885 437 R CA 0.306 56.437 56.100 0.052 0.000 1.002 437 R CB 1.047 31.427 30.300 0.133 0.000 1.432 437 R HN 0.408 nan 8.270 nan 0.000 0.651 438 I N 0.571 121.132 120.570 -0.015 0.000 2.649 438 I HA 0.138 4.304 4.170 -0.006 0.000 0.289 438 I C -0.697 175.381 176.117 -0.066 0.000 1.222 438 I CA -0.908 60.339 61.300 -0.090 0.000 1.046 438 I CB 2.714 40.519 38.000 -0.325 0.000 1.272 438 I HN 0.063 nan 8.210 nan 0.000 0.425 439 C N 8.016 127.307 119.300 -0.014 0.000 2.596 439 C HA 0.100 4.557 4.460 -0.006 0.000 0.414 439 C C -0.929 174.100 174.990 0.066 0.000 1.396 439 C CA -0.610 58.449 59.018 0.068 0.000 1.698 439 C CB 0.241 28.062 27.740 0.134 0.000 2.572 439 C HN 0.572 nan 8.230 nan 0.000 0.604 440 P HA -0.018 nan 4.420 nan 0.000 0.229 440 P C 0.954 178.342 177.300 0.147 0.000 1.160 440 P CA 0.978 64.159 63.100 0.135 0.000 0.777 440 P CB 0.160 31.956 31.700 0.160 0.000 0.814 441 V N -1.274 118.746 119.914 0.176 0.000 3.570 441 V HA 0.053 4.169 4.120 -0.006 0.000 0.257 441 V C 2.179 178.324 176.094 0.084 0.000 1.272 441 V CA 0.445 62.824 62.300 0.132 0.000 1.079 441 V CB -0.599 31.311 31.823 0.145 0.000 0.829 441 V HN 0.019 nan 8.190 nan 0.000 0.454 442 E N 1.090 121.338 120.200 0.081 0.000 2.273 442 E HA -0.165 4.182 4.350 -0.006 0.000 0.198 442 E C 1.326 177.941 176.600 0.025 0.000 1.002 442 E CA 0.993 57.421 56.400 0.046 0.000 0.828 442 E CB -0.241 29.483 29.700 0.041 0.000 0.747 442 E HN 0.539 nan 8.360 nan 0.000 0.491 443 T N 0.864 115.434 114.554 0.026 0.000 2.906 443 T HA 0.061 4.407 4.350 -0.006 0.000 0.320 443 T C -2.216 172.493 174.700 0.016 0.000 1.088 443 T CA -1.605 60.504 62.100 0.016 0.000 1.120 443 T CB 0.522 69.405 68.868 0.025 0.000 1.000 443 T HN -0.045 nan 8.240 nan 0.000 0.550 444 P HA 0.185 nan 4.420 nan 0.000 0.280 444 P C -0.967 176.340 177.300 0.012 0.000 1.278 444 P CA -0.074 63.030 63.100 0.007 0.000 0.787 444 P CB 0.325 32.024 31.700 -0.002 0.000 1.163 445 E N -0.496 119.711 120.200 0.010 0.000 2.255 445 E HA 0.569 4.915 4.350 -0.006 0.000 0.245 445 E C -0.190 176.413 176.600 0.005 0.000 0.909 445 E CA -0.389 56.018 56.400 0.012 0.000 0.747 445 E CB -0.259 29.450 29.700 0.015 0.000 1.215 445 E HN 0.619 nan 8.360 nan 0.000 0.424 446 G N 2.115 110.915 108.800 0.000 0.000 2.334 446 G HA2 0.200 4.157 3.960 -0.006 0.000 0.249 446 G HA3 0.200 4.157 3.960 -0.006 0.000 0.249 446 G C 0.728 175.616 174.900 -0.019 0.000 1.327 446 G CA 0.071 45.167 45.100 -0.008 0.000 0.979 446 G HN 0.603 nan 8.290 nan 0.000 0.471 447 A N -0.390 122.415 122.820 -0.025 0.000 1.971 447 A HA -0.060 4.256 4.320 -0.006 0.000 0.222 447 A C 1.148 178.710 177.584 -0.038 0.000 1.182 447 A CA 2.112 54.127 52.037 -0.037 0.000 0.649 447 A CB -0.562 18.419 19.000 -0.032 0.000 0.818 447 A HN 0.609 nan 8.150 nan 0.000 0.458 448 N N 0.155 118.840 118.700 -0.025 0.000 2.558 448 N HA 0.500 5.237 4.740 -0.006 0.000 0.233 448 N C -1.188 174.314 175.510 -0.013 0.000 1.038 448 N CA 0.231 53.268 53.050 -0.021 0.000 0.934 448 N CB 0.818 39.294 38.487 -0.018 0.000 1.175 448 N HN 0.361 nan 8.380 nan 0.000 0.512 449 I N -0.528 120.035 120.570 -0.013 0.000 2.582 449 I HA 0.304 4.471 4.170 -0.006 0.000 0.292 449 I C 1.161 177.290 176.117 0.021 0.000 1.066 449 I CA -0.610 60.694 61.300 0.005 0.000 1.053 449 I CB 2.151 40.155 38.000 0.007 0.000 1.241 449 I HN 0.552 nan 8.210 nan 0.000 0.421 450 G N 4.472 113.294 108.800 0.038 0.000 2.480 450 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.246 450 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.246 450 G C 0.887 175.817 174.900 0.051 0.000 1.073 450 G CA 0.782 45.920 45.100 0.063 0.000 0.643 450 G HN 0.553 nan 8.290 nan 0.000 0.525 451 L N 0.055 121.296 121.223 0.031 0.000 2.046 451 L HA 0.236 4.573 4.340 -0.006 0.000 0.208 451 L C 1.415 178.294 176.870 0.015 0.000 1.077 451 L CA 1.011 55.867 54.840 0.026 0.000 0.747 451 L CB -0.196 41.869 42.059 0.010 0.000 0.896 451 L HN 0.286 nan 8.230 nan 0.000 0.432 452 I N -0.288 120.282 120.570 -0.001 0.000 2.382 452 I HA 0.241 4.408 4.170 -0.006 0.000 0.285 452 I C -0.226 175.877 176.117 -0.023 0.000 1.007 452 I CA -0.050 61.239 61.300 -0.019 0.000 1.142 452 I CB 1.822 39.802 38.000 -0.034 0.000 1.289 452 I HN -0.108 nan 8.210 nan 0.000 0.453 453 T N 3.865 118.400 114.554 -0.032 0.000 2.933 453 T HA 0.458 4.805 4.350 -0.006 0.000 0.305 453 T C -0.714 173.961 174.700 -0.042 0.000 1.092 453 T CA -0.430 61.646 62.100 -0.039 0.000 1.008 453 T CB 1.404 70.233 68.868 -0.066 0.000 1.102 453 T HN 0.426 nan 8.240 nan 0.000 0.469 454 S N 4.169 119.850 115.700 -0.032 0.000 2.499 454 S HA 0.528 4.995 4.470 -0.006 0.000 0.279 454 S C 0.187 174.780 174.600 -0.011 0.000 1.219 454 S CA -0.922 57.264 58.200 -0.024 0.000 1.062 454 S CB 0.420 63.610 63.200 -0.016 0.000 0.978 454 S HN 0.779 nan 8.310 nan 0.000 0.489 455 L N 1.500 122.719 121.223 -0.006 0.000 2.479 455 L HA 0.661 4.997 4.340 -0.006 0.000 0.270 455 L C 0.590 177.475 176.870 0.025 0.000 1.236 455 L CA -0.637 54.206 54.840 0.004 0.000 0.823 455 L CB -0.853 41.216 42.059 0.017 0.000 1.098 455 L HN 0.641 nan 8.230 nan 0.000 0.500 456 A N 1.117 123.954 122.820 0.028 0.000 2.406 456 A HA 0.566 4.883 4.320 -0.006 0.000 0.243 456 A C 1.538 179.172 177.584 0.082 0.000 1.082 456 A CA 0.147 52.216 52.037 0.054 0.000 0.786 456 A CB -0.386 18.614 19.000 -0.000 0.000 1.029 456 A HN 1.392 nan 8.150 nan 0.000 0.495 457 A N 0.697 123.594 122.820 0.127 0.000 1.862 457 A HA -0.206 4.111 4.320 -0.006 0.000 0.217 457 A C 1.720 179.357 177.584 0.088 0.000 1.251 457 A CA 2.375 54.477 52.037 0.108 0.000 0.673 457 A CB -1.467 17.646 19.000 0.188 0.000 0.843 457 A HN 0.960 nan 8.150 nan 0.000 0.458 458 Y N 0.336 120.642 120.300 0.010 0.000 2.569 458 Y HA 0.223 4.769 4.550 -0.006 0.000 0.293 458 Y C 1.770 177.682 175.900 0.020 0.000 1.144 458 Y CA -0.193 57.919 58.100 0.020 0.000 1.321 458 Y CB -1.123 37.348 38.460 0.020 0.000 0.982 458 Y HN 0.390 nan 8.280 nan 0.000 0.558 459 A N 2.371 125.282 122.820 0.151 0.000 2.584 459 A HA 0.204 4.521 4.320 -0.006 0.000 0.239 459 A C 0.456 178.080 177.584 0.068 0.000 1.043 459 A CA 0.060 52.153 52.037 0.094 0.000 0.756 459 A CB -0.137 18.901 19.000 0.063 0.000 0.963 459 A HN 0.446 nan 8.150 nan 0.000 0.511 460 R N 1.877 122.417 120.500 0.067 0.000 2.548 460 R HA 0.471 4.808 4.340 -0.006 0.000 0.280 460 R C -1.825 174.498 176.300 0.039 0.000 1.061 460 R CA -0.842 55.272 56.100 0.024 0.000 0.915 460 R CB 0.856 31.134 30.300 -0.035 0.000 1.210 460 R HN 0.245 nan 8.270 nan 0.000 0.442 461 V N 4.997 124.930 119.914 0.031 0.000 2.370 461 V HA -0.047 4.069 4.120 -0.006 0.000 0.257 461 V C 1.261 177.369 176.094 0.024 0.000 1.064 461 V CA -0.010 62.318 62.300 0.047 0.000 0.975 461 V CB 0.040 31.886 31.823 0.038 0.000 1.067 461 V HN 0.886 nan 8.190 nan 0.000 0.485 462 D N 4.852 125.279 120.400 0.045 0.000 1.538 462 D HA -0.136 4.500 4.640 -0.006 0.000 0.320 462 D C 1.048 177.355 176.300 0.012 0.000 1.219 462 D CA 0.798 54.811 54.000 0.022 0.000 1.029 462 D CB 0.470 41.309 40.800 0.065 0.000 1.823 462 D HN 0.434 nan 8.370 nan 0.000 0.612 463 E N -0.856 119.356 120.200 0.020 0.000 2.216 463 E HA 0.143 4.489 4.350 -0.006 0.000 0.192 463 E C 0.272 176.864 176.600 -0.012 0.000 0.973 463 E CA -0.001 56.402 56.400 0.005 0.000 0.851 463 E CB 0.461 30.166 29.700 0.008 0.000 0.804 463 E HN 0.226 nan 8.360 nan 0.000 0.477 464 L N -0.000 121.193 121.223 -0.049 0.000 2.573 464 L HA 0.387 4.723 4.340 -0.006 0.000 0.260 464 L C 0.274 176.909 176.870 -0.392 0.000 0.997 464 L CA 0.030 54.774 54.840 -0.160 0.000 0.890 464 L CB 1.259 43.219 42.059 -0.165 0.000 1.179 464 L HN 0.185 nan 8.230 nan 0.000 0.439 465 G N 3.255 111.929 108.800 -0.211 0.000 2.468 465 G HA2 -0.326 3.631 3.960 -0.006 0.000 0.311 465 G HA3 -0.326 3.631 3.960 -0.006 0.000 0.311 465 G C -0.110 174.704 174.900 -0.144 0.000 0.942 465 G CA 0.932 45.932 45.100 -0.166 0.000 0.893 465 G HN 0.356 nan 8.290 nan 0.000 0.513 466 F N 0.184 120.193 119.950 0.098 0.000 2.311 466 F HA 0.438 4.961 4.527 -0.006 0.000 0.371 466 F C 1.056 176.920 175.800 0.106 0.000 1.083 466 F CA -2.430 55.638 58.000 0.113 0.000 1.113 466 F CB 0.597 39.673 39.000 0.126 0.000 1.349 466 F HN 0.034 nan 8.300 nan 0.000 0.470 467 I N 4.769 125.522 120.570 0.305 0.000 2.943 467 I HA -0.087 4.080 4.170 -0.006 0.000 0.296 467 I C 0.691 176.927 176.117 0.197 0.000 1.220 467 I CA 0.770 62.192 61.300 0.204 0.000 1.409 467 I CB -0.055 38.050 38.000 0.174 0.000 1.374 467 I HN 0.490 nan 8.210 nan 0.000 0.545 468 R N 3.921 124.519 120.500 0.164 0.000 2.856 468 R HA 0.738 5.074 4.340 -0.006 0.000 0.258 468 R C -0.207 176.161 176.300 0.114 0.000 1.066 468 R CA -0.799 55.393 56.100 0.154 0.000 1.045 468 R CB 2.115 32.528 30.300 0.189 0.000 1.178 468 R HN 0.614 nan 8.270 nan 0.000 0.499 469 T N 0.458 115.048 114.554 0.060 0.000 2.900 469 T HA 0.492 4.838 4.350 -0.006 0.000 0.303 469 T C -2.803 171.841 174.700 -0.093 0.000 1.142 469 T CA -2.169 59.910 62.100 -0.036 0.000 1.007 469 T CB 2.055 70.792 68.868 -0.219 0.000 1.156 469 T HN 0.194 nan 8.240 nan 0.000 0.490 470 P HA 0.434 nan 4.420 nan 0.000 0.274 470 P C -1.477 175.675 177.300 -0.247 0.000 1.231 470 P CA -0.166 62.848 63.100 -0.143 0.000 0.790 470 P CB 0.220 31.909 31.700 -0.019 0.000 0.951 471 Y N 0.179 120.390 120.300 -0.148 0.000 2.390 471 Y HA 0.268 4.815 4.550 -0.006 0.000 0.324 471 Y C 0.291 175.924 175.900 -0.445 0.000 1.151 471 Y CA -1.171 56.841 58.100 -0.146 0.000 1.053 471 Y CB 1.986 40.544 38.460 0.163 0.000 1.277 471 Y HN 0.173 nan 8.280 nan 0.000 0.432 472 R N 1.885 122.216 120.500 -0.282 0.000 2.410 472 R HA 0.475 4.812 4.340 -0.006 0.000 0.288 472 R C -0.450 175.314 176.300 -0.892 0.000 1.051 472 R CA -1.068 54.746 56.100 -0.478 0.000 1.021 472 R CB 1.151 31.293 30.300 -0.263 0.000 1.032 472 R HN 0.432 nan 8.270 nan 0.000 0.481 473 R N 1.668 121.631 120.500 -0.895 0.000 2.347 473 R HA 0.140 4.476 4.340 -0.006 0.000 0.304 473 R C -0.910 175.193 176.300 -0.328 0.000 1.072 473 R CA -0.202 55.402 56.100 -0.826 0.000 0.980 473 R CB 0.951 31.004 30.300 -0.412 0.000 0.986 473 R HN 0.487 nan 8.270 nan 0.000 0.448 474 V N 6.916 126.732 119.914 -0.164 0.000 2.327 474 V HA 0.366 4.482 4.120 -0.006 0.000 0.272 474 V C -1.061 175.041 176.094 0.013 0.000 1.019 474 V CA -0.747 61.515 62.300 -0.063 0.000 0.814 474 V CB 1.423 33.211 31.823 -0.058 0.000 1.040 474 V HN 0.595 nan 8.190 nan 0.000 0.440 475 V N 7.885 127.805 119.914 0.010 0.000 2.470 475 V HA 0.654 4.770 4.120 -0.006 0.000 0.276 475 V C 1.450 177.555 176.094 0.019 0.000 1.040 475 V CA 1.145 63.463 62.300 0.030 0.000 1.008 475 V CB 0.047 31.885 31.823 0.025 0.000 0.990 475 V HN 1.432 nan 8.190 nan 0.000 0.477 476 G N 4.998 113.813 108.800 0.025 0.000 2.598 476 G HA2 -0.158 3.798 3.960 -0.006 0.000 0.269 476 G HA3 -0.158 3.798 3.960 -0.006 0.000 0.269 476 G C 0.823 175.729 174.900 0.009 0.000 1.289 476 G CA -0.110 45.000 45.100 0.016 0.000 0.926 476 G HN 1.505 nan 8.290 nan 0.000 0.567 477 G N -0.928 107.875 108.800 0.005 0.000 3.186 477 G HA2 0.444 4.401 3.960 -0.006 0.000 0.214 477 G HA3 0.444 4.401 3.960 -0.006 0.000 0.214 477 G C 0.303 175.201 174.900 -0.003 0.000 1.222 477 G CA 1.076 46.177 45.100 0.001 0.000 0.921 477 G HN 1.338 nan 8.290 nan 0.000 0.504 478 V N 0.984 120.895 119.914 -0.005 0.000 2.448 478 V HA 0.446 4.563 4.120 -0.006 0.000 0.295 478 V C 0.200 176.279 176.094 -0.024 0.000 1.025 478 V CA -1.147 61.146 62.300 -0.011 0.000 0.859 478 V CB 1.464 33.282 31.823 -0.008 0.000 0.988 478 V HN 0.159 nan 8.190 nan 0.000 0.431 479 V N 1.847 121.741 119.914 -0.033 0.000 2.539 479 V HA 0.784 4.900 4.120 -0.006 0.000 0.292 479 V C 0.123 176.180 176.094 -0.063 0.000 1.045 479 V CA -0.112 62.153 62.300 -0.057 0.000 0.945 479 V CB 1.325 33.116 31.823 -0.054 0.000 0.993 479 V HN 0.819 nan 8.190 nan 0.000 0.464 480 T N 2.601 117.097 114.554 -0.096 0.000 2.918 480 T HA 0.386 4.732 4.350 -0.006 0.000 0.286 480 T C 0.026 174.669 174.700 -0.094 0.000 1.026 480 T CA -0.224 61.824 62.100 -0.087 0.000 1.031 480 T CB 1.553 70.362 68.868 -0.098 0.000 1.046 480 T HN 0.812 nan 8.240 nan 0.000 0.479 481 D N 0.707 121.068 120.400 -0.064 0.000 2.352 481 D HA 0.035 4.671 4.640 -0.006 0.000 0.232 481 D C 0.620 176.879 176.300 -0.068 0.000 1.055 481 D CA 0.323 54.291 54.000 -0.054 0.000 0.891 481 D CB 0.359 41.144 40.800 -0.026 0.000 0.897 481 D HN 0.451 nan 8.370 nan 0.000 0.529 482 E N 1.039 121.180 120.200 -0.098 0.000 2.277 482 E HA 0.326 4.672 4.350 -0.006 0.000 0.274 482 E C -0.755 175.731 176.600 -0.190 0.000 1.022 482 E CA -0.603 55.730 56.400 -0.112 0.000 0.853 482 E CB 1.326 30.968 29.700 -0.096 0.000 1.086 482 E HN -0.042 nan 8.360 nan 0.000 0.397 483 V N 0.402 120.194 119.914 -0.204 0.000 2.876 483 V HA 0.649 4.765 4.120 -0.006 0.000 0.312 483 V C -0.731 175.129 176.094 -0.390 0.000 1.085 483 V CA -0.915 61.192 62.300 -0.322 0.000 0.945 483 V CB 1.774 33.400 31.823 -0.329 0.000 1.017 483 V HN 0.378 nan 8.190 nan 0.000 0.428 484 V N 3.654 123.353 119.914 -0.358 0.000 2.531 484 V HA 0.437 4.554 4.120 -0.006 0.000 0.301 484 V C -1.084 174.882 176.094 -0.214 0.000 1.034 484 V CA -0.491 61.688 62.300 -0.202 0.000 0.865 484 V CB 1.702 33.612 31.823 0.145 0.000 0.995 484 V HN 0.860 nan 8.190 nan 0.000 0.424 485 Y N 4.866 125.235 120.300 0.114 0.000 2.613 485 Y HA 0.413 4.959 4.550 -0.006 0.000 0.354 485 Y C 0.743 176.710 175.900 0.112 0.000 1.063 485 Y CA -0.268 57.888 58.100 0.093 0.000 1.384 485 Y CB 0.013 38.515 38.460 0.070 0.000 1.199 485 Y HN 0.471 nan 8.280 nan 0.000 0.517 486 M N 2.928 122.659 119.600 0.218 0.000 2.250 486 M HA 0.231 4.708 4.480 -0.006 0.000 0.344 486 M C 0.550 176.960 176.300 0.183 0.000 1.150 486 M CA -0.547 54.876 55.300 0.205 0.000 1.147 486 M CB 0.932 33.693 32.600 0.268 0.000 1.498 486 M HN 0.615 nan 8.290 nan 0.000 0.461 487 T N -0.474 114.178 114.554 0.164 0.000 2.828 487 T HA 0.382 4.728 4.350 -0.006 0.000 0.290 487 T C 1.165 175.962 174.700 0.163 0.000 1.019 487 T CA -0.379 61.807 62.100 0.142 0.000 1.031 487 T CB 1.101 70.027 68.868 0.096 0.000 1.001 487 T HN 0.713 nan 8.240 nan 0.000 0.531 488 A N 1.547 124.452 122.820 0.143 0.000 1.940 488 A HA -0.040 4.276 4.320 -0.006 0.000 0.219 488 A C 2.434 180.181 177.584 0.271 0.000 1.176 488 A CA 2.034 54.206 52.037 0.225 0.000 0.631 488 A CB -1.652 17.493 19.000 0.243 0.000 0.814 488 A HN 0.927 nan 8.150 nan 0.000 0.446 489 T N -0.298 114.304 114.554 0.080 0.000 2.732 489 T HA -0.104 4.242 4.350 -0.006 0.000 0.261 489 T C 1.776 176.532 174.700 0.094 0.000 1.040 489 T CA 1.287 63.373 62.100 -0.023 0.000 1.145 489 T CB -0.295 68.492 68.868 -0.135 0.000 0.866 489 T HN 0.564 nan 8.240 nan 0.000 0.427 490 E N 0.834 121.132 120.200 0.164 0.000 2.160 490 E HA -0.196 4.151 4.350 -0.006 0.000 0.195 490 E C 2.280 179.058 176.600 0.297 0.000 0.991 490 E CA 0.796 57.331 56.400 0.225 0.000 0.810 490 E CB -0.133 29.726 29.700 0.265 0.000 0.742 490 E HN 0.582 nan 8.360 nan 0.000 0.466 491 E N 0.907 121.277 120.200 0.282 0.000 2.097 491 E HA -0.243 4.103 4.350 -0.006 0.000 0.196 491 E C 1.412 178.151 176.600 0.233 0.000 1.000 491 E CA 1.517 58.108 56.400 0.318 0.000 0.804 491 E CB 0.089 29.992 29.700 0.338 0.000 0.740 491 E HN 0.192 nan 8.360 nan 0.000 0.454 492 D N 0.329 120.832 120.400 0.173 0.000 2.133 492 D HA -0.202 4.434 4.640 -0.006 0.000 0.195 492 D C 1.908 178.182 176.300 -0.043 0.000 0.997 492 D CA 1.094 55.146 54.000 0.088 0.000 0.840 492 D CB -0.461 40.405 40.800 0.111 0.000 0.947 492 D HN 0.224 nan 8.370 nan 0.000 0.452 493 R N -0.737 119.664 120.500 -0.165 0.000 2.316 493 R HA -0.096 4.241 4.340 -0.006 0.000 0.232 493 R C 0.169 175.986 176.300 -0.805 0.000 1.137 493 R CA 0.772 56.538 56.100 -0.557 0.000 1.012 493 R CB -0.097 29.668 30.300 -0.893 0.000 0.859 493 R HN 0.329 nan 8.270 nan 0.000 0.474 494 Y N -2.065 118.169 120.300 -0.110 0.000 2.665 494 Y HA 0.289 4.835 4.550 -0.006 0.000 0.336 494 Y C 0.197 176.025 175.900 -0.120 0.000 1.085 494 Y CA -1.324 56.685 58.100 -0.152 0.000 1.096 494 Y CB 1.334 39.613 38.460 -0.301 0.000 1.301 494 Y HN -0.371 nan 8.280 nan 0.000 0.493 495 T N 3.212 117.808 114.554 0.069 0.000 3.016 495 T HA 0.491 4.837 4.350 -0.006 0.000 0.335 495 T C -0.486 174.208 174.700 -0.009 0.000 1.176 495 T CA -0.269 61.836 62.100 0.008 0.000 0.987 495 T CB -1.006 67.866 68.868 0.006 0.000 1.073 495 T HN 0.215 nan 8.240 nan 0.000 0.547 496 I N 2.508 123.036 120.570 -0.071 0.000 2.488 496 I HA 0.684 4.851 4.170 -0.006 0.000 0.299 496 I C 0.561 176.606 176.117 -0.120 0.000 0.984 496 I CA -0.593 60.614 61.300 -0.155 0.000 1.250 496 I CB 1.146 38.884 38.000 -0.436 0.000 1.389 496 I HN 0.537 nan 8.210 nan 0.000 0.488 497 A N 3.958 126.715 122.820 -0.105 0.000 2.313 497 A HA 0.753 5.069 4.320 -0.006 0.000 0.323 497 A C -0.529 177.032 177.584 -0.038 0.000 1.133 497 A CA -0.682 51.317 52.037 -0.063 0.000 0.847 497 A CB 1.036 20.011 19.000 -0.042 0.000 1.308 497 A HN 0.579 nan 8.150 nan 0.000 0.475 498 Q N -0.491 119.301 119.800 -0.013 0.000 2.256 498 Q HA 0.460 4.797 4.340 -0.006 0.000 0.232 498 Q C 1.282 177.293 176.000 0.017 0.000 0.965 498 Q CA 0.341 56.157 55.803 0.023 0.000 0.908 498 Q CB 1.337 30.079 28.738 0.007 0.000 1.209 498 Q HN 0.823 nan 8.270 nan 0.000 0.489 499 A N 1.969 124.809 122.820 0.033 0.000 1.930 499 A HA -0.133 4.183 4.320 -0.006 0.000 0.217 499 A C 0.785 178.385 177.584 0.027 0.000 1.175 499 A CA 1.030 53.084 52.037 0.027 0.000 0.627 499 A CB -0.378 18.645 19.000 0.038 0.000 0.815 499 A HN 0.763 nan 8.150 nan 0.000 0.443 500 N N 1.947 120.663 118.700 0.026 0.000 3.193 500 N HA 0.026 4.762 4.740 -0.006 0.000 0.312 500 N C -0.562 174.956 175.510 0.013 0.000 1.261 500 N CA 0.848 53.914 53.050 0.027 0.000 1.208 500 N CB -0.655 37.845 38.487 0.022 0.000 1.471 500 N HN 0.389 nan 8.380 nan 0.000 0.548 501 T N -2.695 111.866 114.554 0.012 0.000 2.840 501 T HA 0.404 4.750 4.350 -0.006 0.000 0.287 501 T C -2.972 171.733 174.700 0.009 0.000 0.991 501 T CA -2.067 60.036 62.100 0.005 0.000 0.964 501 T CB 1.785 70.651 68.868 -0.004 0.000 0.954 501 T HN -0.086 nan 8.240 nan 0.000 0.438 502 P HA 0.206 nan 4.420 nan 0.000 0.257 502 P C -1.016 176.289 177.300 0.008 0.000 1.162 502 P CA -0.272 62.835 63.100 0.012 0.000 0.762 502 P CB 0.166 31.873 31.700 0.010 0.000 0.753 503 L N 3.329 124.559 121.223 0.011 0.000 2.386 503 L HA 0.283 4.619 4.340 -0.006 0.000 0.271 503 L C 0.627 177.502 176.870 0.009 0.000 0.993 503 L CA 0.085 54.929 54.840 0.007 0.000 0.819 503 L CB 1.899 43.961 42.059 0.005 0.000 1.294 503 L HN 0.297 nan 8.230 nan 0.000 0.414 504 E N 2.916 123.120 120.200 0.006 0.000 2.451 504 E HA 0.383 4.730 4.350 -0.006 0.000 0.194 504 E C 0.671 177.274 176.600 0.006 0.000 1.027 504 E CA 0.529 56.933 56.400 0.007 0.000 0.914 504 E CB 0.443 30.147 29.700 0.006 0.000 1.054 504 E HN 0.989 nan 8.360 nan 0.000 0.461 505 G N 1.599 110.401 108.800 0.004 0.000 2.134 505 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.225 505 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.225 505 G C 0.698 175.595 174.900 -0.005 0.000 1.944 505 G CA -0.096 45.005 45.100 0.001 0.000 1.512 505 G HN 0.184 nan 8.290 nan 0.000 0.493 506 N N 1.020 119.717 118.700 -0.006 0.000 2.405 506 N HA 0.079 4.815 4.740 -0.006 0.000 0.175 506 N C 1.140 176.644 175.510 -0.010 0.000 1.051 506 N CA 0.377 53.420 53.050 -0.012 0.000 0.899 506 N CB 0.430 38.911 38.487 -0.010 0.000 1.000 506 N HN 0.540 nan 8.380 nan 0.000 0.451 507 R N 1.451 121.948 120.500 -0.005 0.000 2.357 507 R HA 0.215 4.551 4.340 -0.006 0.000 0.296 507 R C -0.046 176.252 176.300 -0.004 0.000 1.052 507 R CA -0.455 55.643 56.100 -0.004 0.000 0.988 507 R CB 0.674 30.973 30.300 -0.001 0.000 1.025 507 R HN -0.165 nan 8.270 nan 0.000 0.469 508 I N 3.014 123.581 120.570 -0.004 0.000 2.720 508 I HA 0.058 4.225 4.170 -0.006 0.000 0.287 508 I C 1.083 177.199 176.117 -0.001 0.000 1.090 508 I CA 0.370 61.667 61.300 -0.004 0.000 1.384 508 I CB 1.182 39.179 38.000 -0.006 0.000 1.420 508 I HN 0.856 nan 8.210 nan 0.000 0.575 509 A N 3.814 126.634 122.820 -0.000 0.000 2.324 509 A HA 0.637 4.953 4.320 -0.006 0.000 0.220 509 A C 0.734 178.318 177.584 0.001 0.000 1.209 509 A CA 0.298 52.336 52.037 0.002 0.000 0.918 509 A CB 0.220 19.222 19.000 0.005 0.000 0.959 509 A HN 0.728 nan 8.150 nan 0.000 0.507 510 A N -0.378 122.442 122.820 -0.001 0.000 2.401 510 A HA 0.635 4.951 4.320 -0.006 0.000 0.310 510 A C 0.520 178.102 177.584 -0.004 0.000 1.075 510 A CA -0.436 51.600 52.037 -0.002 0.000 0.746 510 A CB 0.896 19.895 19.000 -0.002 0.000 1.277 510 A HN 0.023 nan 8.150 nan 0.000 0.425 511 E N 1.187 121.385 120.200 -0.004 0.000 2.007 511 E HA -0.099 4.247 4.350 -0.006 0.000 0.194 511 E C 0.038 176.634 176.600 -0.007 0.000 0.999 511 E CA 1.066 57.463 56.400 -0.005 0.000 0.811 511 E CB -0.112 29.586 29.700 -0.004 0.000 0.762 511 E HN 0.516 nan 8.360 nan 0.000 0.450 512 R N 1.312 121.807 120.500 -0.008 0.000 2.220 512 R HA 0.350 4.686 4.340 -0.006 0.000 0.340 512 R C -0.417 175.876 176.300 -0.012 0.000 1.076 512 R CA -0.327 55.766 56.100 -0.011 0.000 0.920 512 R CB 0.548 30.842 30.300 -0.011 0.000 1.062 512 R HN -0.091 nan 8.270 nan 0.000 0.469 513 V N 3.639 123.545 119.914 -0.014 0.000 2.588 513 V HA 0.240 4.356 4.120 -0.006 0.000 0.304 513 V C 0.513 176.593 176.094 -0.022 0.000 1.042 513 V CA -1.183 61.107 62.300 -0.016 0.000 0.877 513 V CB 2.405 34.220 31.823 -0.013 0.000 0.996 513 V HN 0.575 nan 8.190 nan 0.000 0.425 514 V N 2.296 122.195 119.914 -0.026 0.000 3.032 514 V HA 0.805 4.922 4.120 -0.006 0.000 0.307 514 V C 0.252 176.322 176.094 -0.040 0.000 1.097 514 V CA 0.447 62.726 62.300 -0.036 0.000 1.191 514 V CB 0.677 32.477 31.823 -0.040 0.000 0.964 514 V HN 1.743 nan 8.190 nan 0.000 0.494 515 A N 3.653 126.443 122.820 -0.051 0.000 2.583 515 A HA 0.803 5.120 4.320 -0.006 0.000 0.292 515 A C -0.925 176.611 177.584 -0.079 0.000 1.045 515 A CA -1.089 50.912 52.037 -0.061 0.000 0.672 515 A CB 1.551 20.522 19.000 -0.048 0.000 1.283 515 A HN 0.912 nan 8.150 nan 0.000 0.419 516 R N 1.843 122.283 120.500 -0.099 0.000 2.422 516 R HA 0.464 4.800 4.340 -0.006 0.000 0.307 516 R C -0.397 175.842 176.300 -0.102 0.000 1.004 516 R CA -0.750 55.277 56.100 -0.122 0.000 0.882 516 R CB 1.097 31.278 30.300 -0.198 0.000 1.164 516 R HN 0.742 nan 8.270 nan 0.000 0.489 517 R N 1.696 122.148 120.500 -0.081 0.000 2.840 517 R HA 0.056 4.393 4.340 -0.006 0.000 0.282 517 R C 0.351 176.612 176.300 -0.065 0.000 1.133 517 R CA -0.415 55.649 56.100 -0.061 0.000 1.208 517 R CB 0.285 30.552 30.300 -0.054 0.000 1.160 517 R HN 0.506 nan 8.270 nan 0.000 0.576 518 K N 0.740 121.117 120.400 -0.039 0.000 2.036 518 K HA 0.025 4.341 4.320 -0.006 0.000 0.246 518 K C 0.738 177.292 176.600 -0.077 0.000 1.189 518 K CA 0.730 57.000 56.287 -0.029 0.000 1.255 518 K CB -0.841 31.669 32.500 0.016 0.000 0.909 518 K HN 0.779 nan 8.250 nan 0.000 0.382 519 G N 1.197 109.921 108.800 -0.127 0.000 2.268 519 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.240 519 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.240 519 G C -0.271 174.535 174.900 -0.156 0.000 1.010 519 G CA -0.030 44.967 45.100 -0.172 0.000 0.618 519 G HN 0.590 nan 8.290 nan 0.000 0.516 520 E N 1.090 121.216 120.200 -0.123 0.000 2.207 520 E HA 0.524 4.871 4.350 -0.006 0.000 0.270 520 E C -2.822 173.712 176.600 -0.110 0.000 0.927 520 E CA -1.941 54.394 56.400 -0.109 0.000 0.799 520 E CB 2.165 31.817 29.700 -0.082 0.000 1.172 520 E HN 0.136 nan 8.360 nan 0.000 0.404 521 P HA 0.232 nan 4.420 nan 0.000 0.287 521 P C -0.850 176.407 177.300 -0.071 0.000 1.294 521 P CA -0.324 62.719 63.100 -0.094 0.000 0.776 521 P CB 0.766 32.413 31.700 -0.088 0.000 0.889 522 V N 5.526 125.401 119.914 -0.066 0.000 2.623 522 V HA 0.271 4.387 4.120 -0.006 0.000 0.304 522 V C 0.107 176.175 176.094 -0.044 0.000 1.054 522 V CA -0.874 61.396 62.300 -0.051 0.000 0.882 522 V CB 2.311 34.105 31.823 -0.049 0.000 1.002 522 V HN 0.531 nan 8.190 nan 0.000 0.424 523 I N 6.173 126.721 120.570 -0.037 0.000 2.483 523 I HA 0.325 4.492 4.170 -0.006 0.000 0.291 523 I C -0.290 175.811 176.117 -0.026 0.000 1.112 523 I CA 0.664 61.946 61.300 -0.030 0.000 1.350 523 I CB 0.582 38.566 38.000 -0.026 0.000 1.419 523 I HN 0.470 nan 8.210 nan 0.000 0.523 524 V N 6.693 126.591 119.914 -0.025 0.000 3.267 524 V HA 0.554 4.670 4.120 -0.006 0.000 0.317 524 V C 0.146 176.230 176.094 -0.016 0.000 1.131 524 V CA -0.290 61.997 62.300 -0.021 0.000 1.031 524 V CB 2.515 34.325 31.823 -0.022 0.000 1.159 524 V HN 0.891 nan 8.190 nan 0.000 0.454 525 S N 2.400 118.093 115.700 -0.012 0.000 2.565 525 S HA 0.488 4.954 4.470 -0.006 0.000 0.290 525 S C -2.215 172.382 174.600 -0.005 0.000 1.150 525 S CA -1.337 56.858 58.200 -0.008 0.000 1.058 525 S CB 1.264 64.460 63.200 -0.007 0.000 1.032 525 S HN 0.599 nan 8.310 nan 0.000 0.510 526 P HA -0.097 nan 4.420 nan 0.000 0.222 526 P C 0.582 177.884 177.300 0.002 0.000 1.142 526 P CA 1.051 64.150 63.100 -0.002 0.000 0.788 526 P CB -0.018 31.681 31.700 -0.002 0.000 0.767 527 E N -0.550 119.651 120.200 0.003 0.000 2.285 527 E HA -0.087 4.259 4.350 -0.006 0.000 0.194 527 E C 1.495 178.102 176.600 0.010 0.000 0.997 527 E CA 0.702 57.106 56.400 0.006 0.000 0.845 527 E CB -0.253 29.449 29.700 0.004 0.000 0.782 527 E HN 0.428 nan 8.360 nan 0.000 0.491 528 E N 0.291 120.496 120.200 0.008 0.000 2.460 528 E HA 0.044 4.391 4.350 -0.006 0.000 0.200 528 E C -0.296 176.316 176.600 0.020 0.000 1.011 528 E CA -0.083 56.323 56.400 0.011 0.000 0.912 528 E CB 0.851 30.551 29.700 0.001 0.000 0.953 528 E HN -0.012 nan 8.360 nan 0.000 0.494 529 V N 2.819 122.743 119.914 0.016 0.000 2.409 529 V HA -0.040 4.077 4.120 -0.006 0.000 0.270 529 V C 0.825 176.951 176.094 0.053 0.000 1.019 529 V CA 0.676 62.989 62.300 0.021 0.000 1.066 529 V CB 0.263 32.088 31.823 0.005 0.000 1.021 529 V HN 0.198 nan 8.190 nan 0.000 0.476 530 E N 2.905 123.160 120.200 0.092 0.000 2.166 530 E HA 0.198 4.545 4.350 -0.006 0.000 0.192 530 E C -0.115 176.702 176.600 0.361 0.000 0.967 530 E CA 0.645 57.149 56.400 0.173 0.000 0.840 530 E CB 0.379 30.171 29.700 0.153 0.000 0.795 530 E HN 0.540 nan 8.360 nan 0.000 0.470 531 F N -0.245 119.624 119.950 -0.134 0.000 2.640 531 F HA 0.576 5.100 4.527 -0.006 0.000 0.324 531 F C -0.556 175.099 175.800 -0.243 0.000 1.077 531 F CA -1.300 56.572 58.000 -0.213 0.000 0.965 531 F CB 1.984 40.787 39.000 -0.329 0.000 1.351 531 F HN -0.206 nan 8.300 nan 0.000 0.487 532 M N 0.970 120.457 119.600 -0.189 0.000 2.520 532 M HA 0.441 4.918 4.480 -0.006 0.000 0.283 532 M C -1.990 174.268 176.300 -0.070 0.000 1.237 532 M CA -0.563 54.645 55.300 -0.154 0.000 0.885 532 M CB 2.001 34.542 32.600 -0.099 0.000 1.727 532 M HN 0.460 nan 8.290 nan 0.000 0.468 533 D N 2.395 122.824 120.400 0.048 0.000 2.383 533 D HA 0.170 4.807 4.640 -0.006 0.000 0.252 533 D C 1.083 177.433 176.300 0.083 0.000 1.166 533 D CA -0.093 54.066 54.000 0.264 0.000 0.879 533 D CB 1.323 42.283 40.800 0.266 0.000 1.164 533 D HN 0.397 nan 8.370 nan 0.000 0.462 534 V N 1.703 121.628 119.914 0.019 0.000 2.233 534 V HA -0.143 3.974 4.120 -0.006 0.000 0.247 534 V C 1.079 177.105 176.094 -0.113 0.000 1.050 534 V CA 2.001 64.239 62.300 -0.104 0.000 1.010 534 V CB -0.600 31.076 31.823 -0.246 0.000 0.637 534 V HN 0.778 nan 8.190 nan 0.000 0.444 535 S N -3.203 112.389 115.700 -0.180 0.000 2.595 535 S HA 0.398 4.864 4.470 -0.006 0.000 0.270 535 S C -2.615 171.965 174.600 -0.033 0.000 1.145 535 S CA -0.635 57.521 58.200 -0.073 0.000 0.825 535 S CB 1.323 64.501 63.200 -0.036 0.000 1.107 535 S HN -0.015 nan 8.310 nan 0.000 0.461 536 P HA -0.075 nan 4.420 nan 0.000 0.215 536 P C 0.898 178.344 177.300 0.245 0.000 1.157 536 P CA 1.507 64.756 63.100 0.248 0.000 0.874 536 P CB -0.076 31.906 31.700 0.470 0.000 0.790 537 K N 0.022 120.569 120.400 0.245 0.000 2.228 537 K HA -0.220 4.096 4.320 -0.006 0.000 0.205 537 K C 2.084 178.845 176.600 0.269 0.000 1.045 537 K CA 1.580 58.056 56.287 0.317 0.000 0.931 537 K CB -0.903 31.837 32.500 0.400 0.000 0.727 537 K HN 0.478 nan 8.250 nan 0.000 0.458 538 Q N -0.212 119.574 119.800 -0.023 0.000 2.378 538 Q HA -0.019 4.318 4.340 -0.006 0.000 0.205 538 Q C 1.385 177.257 176.000 -0.213 0.000 0.954 538 Q CA 0.913 56.654 55.803 -0.102 0.000 0.901 538 Q CB 0.063 28.518 28.738 -0.471 0.000 0.981 538 Q HN 0.072 nan 8.270 nan 0.000 0.483 539 V N 0.226 119.938 119.914 -0.336 0.000 2.667 539 V HA -0.028 4.088 4.120 -0.006 0.000 0.252 539 V C 0.586 176.257 176.094 -0.705 0.000 1.065 539 V CA 1.199 63.051 62.300 -0.747 0.000 1.083 539 V CB -0.559 30.686 31.823 -0.963 0.000 0.692 539 V HN 0.229 nan 8.190 nan 0.000 0.468 540 F N -0.867 119.082 119.950 -0.002 0.000 2.661 540 F HA 0.590 5.113 4.527 -0.006 0.000 0.347 540 F C 0.856 176.673 175.800 0.029 0.000 1.086 540 F CA -0.777 57.237 58.000 0.024 0.000 1.016 540 F CB 0.782 39.809 39.000 0.045 0.000 1.368 540 F HN -0.141 nan 8.300 nan 0.000 0.505 541 S N -0.063 115.795 115.700 0.263 0.000 2.617 541 S HA 0.252 4.718 4.470 -0.006 0.000 0.259 541 S C 1.051 175.719 174.600 0.114 0.000 1.301 541 S CA -0.187 58.095 58.200 0.136 0.000 0.984 541 S CB 0.919 64.172 63.200 0.089 0.000 0.954 541 S HN 0.667 nan 8.310 nan 0.000 0.572 542 V N -0.671 119.280 119.914 0.060 0.000 2.358 542 V HA -0.079 4.037 4.120 -0.006 0.000 0.246 542 V C 2.224 178.328 176.094 0.016 0.000 1.047 542 V CA 1.991 64.310 62.300 0.031 0.000 1.035 542 V CB -1.778 30.049 31.823 0.007 0.000 0.658 542 V HN 0.839 nan 8.190 nan 0.000 0.452 543 N N 0.610 119.320 118.700 0.016 0.000 2.364 543 N HA -0.107 4.630 4.740 -0.006 0.000 0.183 543 N C 1.674 177.174 175.510 -0.016 0.000 1.022 543 N CA 1.827 54.880 53.050 0.004 0.000 0.883 543 N CB -0.266 38.227 38.487 0.011 0.000 0.965 543 N HN 0.655 nan 8.380 nan 0.000 0.438 544 T N -0.770 113.776 114.554 -0.013 0.000 2.983 544 T HA 0.073 4.420 4.350 -0.006 0.000 0.250 544 T C 1.380 175.988 174.700 -0.155 0.000 1.037 544 T CA 0.163 62.213 62.100 -0.083 0.000 1.142 544 T CB -0.143 68.691 68.868 -0.058 0.000 0.876 544 T HN 0.210 nan 8.240 nan 0.000 0.455 545 N N 1.492 120.144 118.700 -0.080 0.000 2.586 545 N HA -0.045 4.692 4.740 -0.006 0.000 0.191 545 N C 1.316 176.764 175.510 -0.103 0.000 1.085 545 N CA 0.453 53.456 53.050 -0.078 0.000 0.921 545 N CB -0.159 38.350 38.487 0.036 0.000 0.954 545 N HN 0.232 nan 8.380 nan 0.000 0.448 546 L N 0.604 121.763 121.223 -0.107 0.000 2.558 546 L HA 0.246 4.582 4.340 -0.006 0.000 0.225 546 L C 0.385 177.154 176.870 -0.169 0.000 1.128 546 L CA 0.283 55.056 54.840 -0.111 0.000 0.868 546 L CB 0.093 42.110 42.059 -0.070 0.000 1.006 546 L HN -0.035 nan 8.230 nan 0.000 0.454 547 I N 1.392 121.830 120.570 -0.221 0.000 2.533 547 I HA 0.059 4.225 4.170 -0.006 0.000 0.284 547 I C -1.115 174.792 176.117 -0.350 0.000 1.109 547 I CA -1.425 59.689 61.300 -0.310 0.000 1.412 547 I CB 0.415 38.215 38.000 -0.335 0.000 1.396 547 I HN 0.048 nan 8.210 nan 0.000 0.543 548 P HA -0.195 nan 4.420 nan 0.000 0.203 548 P C 0.210 177.203 177.300 -0.512 0.000 1.087 548 P CA 1.680 64.384 63.100 -0.660 0.000 0.952 548 P CB 0.074 31.116 31.700 -1.096 0.000 0.758 549 F N -1.345 118.614 119.950 0.016 0.000 2.753 549 F HA 0.270 4.793 4.527 -0.006 0.000 0.314 549 F C 1.443 177.240 175.800 -0.006 0.000 1.215 549 F CA -0.805 57.231 58.000 0.060 0.000 1.243 549 F CB -1.407 37.709 39.000 0.193 0.000 1.400 549 F HN -0.177 nan 8.300 nan 0.000 0.548 550 L N 1.580 122.722 121.223 -0.135 0.000 2.064 550 L HA -0.290 4.047 4.340 -0.006 0.000 0.216 550 L C 2.365 179.115 176.870 -0.199 0.000 1.077 550 L CA 2.168 56.852 54.840 -0.260 0.000 0.766 550 L CB -0.499 41.234 42.059 -0.545 0.000 0.890 550 L HN 0.526 nan 8.230 nan 0.000 0.435 551 E N -1.907 118.093 120.200 -0.333 0.000 2.219 551 E HA -0.264 4.082 4.350 -0.006 0.000 0.198 551 E C 0.884 177.397 176.600 -0.145 0.000 0.998 551 E CA 1.713 57.995 56.400 -0.197 0.000 0.818 551 E CB -0.730 28.831 29.700 -0.232 0.000 0.741 551 E HN 0.699 nan 8.360 nan 0.000 0.477 552 H N 0.497 119.621 119.070 0.090 0.000 2.524 552 H HA 0.289 4.842 4.556 -0.006 0.000 0.299 552 H C -0.611 174.776 175.328 0.098 0.000 1.074 552 H CA -0.151 55.956 56.048 0.098 0.000 1.115 552 H CB 0.252 30.068 29.762 0.090 0.000 1.522 552 H HN 0.087 nan 8.280 nan 0.000 0.543 553 D N 0.943 121.437 120.400 0.157 0.000 2.757 553 D HA 0.042 4.678 4.640 -0.006 0.000 0.249 553 D C -0.441 175.914 176.300 0.092 0.000 1.168 553 D CA -0.641 53.436 54.000 0.127 0.000 0.870 553 D CB 2.137 43.009 40.800 0.121 0.000 1.411 553 D HN 0.140 nan 8.370 nan 0.000 0.525 554 D N 1.006 121.459 120.400 0.087 0.000 2.520 554 D HA 0.094 4.730 4.640 -0.006 0.000 0.243 554 D C 1.241 177.587 176.300 0.076 0.000 1.160 554 D CA 0.013 54.061 54.000 0.079 0.000 0.877 554 D CB 0.877 41.716 40.800 0.066 0.000 1.150 554 D HN 0.393 nan 8.370 nan 0.000 0.494 555 A N 4.176 127.053 122.820 0.095 0.000 2.093 555 A HA -0.321 3.995 4.320 -0.006 0.000 0.222 555 A C 1.995 179.629 177.584 0.082 0.000 1.162 555 A CA 2.003 54.104 52.037 0.106 0.000 0.655 555 A CB -0.626 18.460 19.000 0.145 0.000 0.805 555 A HN 0.755 nan 8.150 nan 0.000 0.461 556 N N -1.028 117.715 118.700 0.072 0.000 2.135 556 N HA -0.124 4.613 4.740 -0.006 0.000 0.186 556 N C 1.822 177.360 175.510 0.047 0.000 1.027 556 N CA 1.431 54.517 53.050 0.060 0.000 0.849 556 N CB -0.165 38.354 38.487 0.054 0.000 1.002 556 N HN 0.337 nan 8.380 nan 0.000 0.425 557 R N -0.041 120.486 120.500 0.046 0.000 2.193 557 R HA 0.263 4.600 4.340 -0.006 0.000 0.213 557 R C 1.693 178.011 176.300 0.029 0.000 1.055 557 R CA 0.892 57.015 56.100 0.039 0.000 0.995 557 R CB -0.456 29.872 30.300 0.047 0.000 0.893 557 R HN 0.284 nan 8.270 nan 0.000 0.459 558 A N 0.481 123.314 122.820 0.021 0.000 2.067 558 A HA -0.109 4.207 4.320 -0.006 0.000 0.219 558 A C 1.839 179.414 177.584 -0.014 0.000 1.158 558 A CA 1.228 53.254 52.037 -0.017 0.000 0.661 558 A CB -0.535 18.439 19.000 -0.043 0.000 0.801 558 A HN 0.368 nan 8.150 nan 0.000 0.452 559 L N -0.513 120.719 121.223 0.014 0.000 1.994 559 L HA -0.134 4.202 4.340 -0.006 0.000 0.208 559 L C 2.293 179.171 176.870 0.012 0.000 1.071 559 L CA 2.336 57.188 54.840 0.020 0.000 0.745 559 L CB -0.861 41.219 42.059 0.035 0.000 0.892 559 L HN 0.418 nan 8.230 nan 0.000 0.431 560 M N -0.154 119.455 119.600 0.015 0.000 2.106 560 M HA -0.175 4.302 4.480 -0.006 0.000 0.259 560 M C 2.175 178.479 176.300 0.007 0.000 1.068 560 M CA 1.924 57.233 55.300 0.015 0.000 1.100 560 M CB -1.365 31.245 32.600 0.018 0.000 1.351 560 M HN 0.557 nan 8.290 nan 0.000 0.404 561 G N -0.184 108.614 108.800 -0.004 0.000 2.552 561 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.216 561 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.216 561 G C 1.539 176.425 174.900 -0.023 0.000 1.240 561 G CA 1.209 46.295 45.100 -0.024 0.000 0.796 561 G HN 0.451 nan 8.290 nan 0.000 0.568 562 S N 1.221 116.902 115.700 -0.031 0.000 2.372 562 S HA -0.211 4.256 4.470 -0.006 0.000 0.227 562 S C 2.296 176.897 174.600 0.002 0.000 1.044 562 S CA 1.647 59.835 58.200 -0.020 0.000 1.050 562 S CB -0.404 62.787 63.200 -0.015 0.000 0.901 562 S HN 0.409 nan 8.310 nan 0.000 0.447 563 N N 0.598 119.303 118.700 0.009 0.000 2.188 563 N HA 0.089 4.826 4.740 -0.006 0.000 0.184 563 N C 1.630 177.155 175.510 0.025 0.000 1.018 563 N CA 0.807 53.868 53.050 0.018 0.000 0.858 563 N CB -0.367 38.132 38.487 0.020 0.000 0.989 563 N HN 0.241 nan 8.380 nan 0.000 0.426 564 M N 0.892 120.504 119.600 0.021 0.000 2.088 564 M HA -0.237 4.240 4.480 -0.006 0.000 0.256 564 M C 1.837 178.158 176.300 0.034 0.000 1.071 564 M CA 1.672 56.988 55.300 0.026 0.000 1.097 564 M CB -0.232 32.378 32.600 0.015 0.000 1.315 564 M HN 0.161 nan 8.290 nan 0.000 0.406 565 Q N -1.449 118.369 119.800 0.030 0.000 2.197 565 Q HA -0.174 4.163 4.340 -0.006 0.000 0.207 565 Q C 1.701 177.728 176.000 0.044 0.000 0.984 565 Q CA 2.018 57.846 55.803 0.042 0.000 0.869 565 Q CB -0.469 28.295 28.738 0.043 0.000 0.906 565 Q HN 0.547 nan 8.270 nan 0.000 0.426 566 T N 0.924 115.501 114.554 0.039 0.000 2.977 566 T HA -0.131 4.216 4.350 -0.006 0.000 0.271 566 T C 0.934 175.660 174.700 0.043 0.000 1.105 566 T CA 0.969 63.093 62.100 0.039 0.000 1.116 566 T CB -0.049 68.843 68.868 0.040 0.000 0.878 566 T HN 0.357 nan 8.240 nan 0.000 0.509 567 Q N 0.475 120.310 119.800 0.059 0.000 2.201 567 Q HA 0.482 4.819 4.340 -0.006 0.000 0.236 567 Q C 0.082 176.141 176.000 0.098 0.000 0.857 567 Q CA -0.490 55.366 55.803 0.089 0.000 1.025 567 Q CB 0.586 29.393 28.738 0.115 0.000 1.124 567 Q HN 0.362 nan 8.270 nan 0.000 0.473 568 A N 1.029 123.890 122.820 0.068 0.000 2.309 568 A HA 0.352 4.668 4.320 -0.006 0.000 0.290 568 A C -0.274 177.354 177.584 0.073 0.000 1.206 568 A CA -0.363 51.719 52.037 0.074 0.000 0.850 568 A CB 0.749 19.790 19.000 0.067 0.000 1.118 568 A HN 0.224 nan 8.150 nan 0.000 0.523 569 V N 5.597 125.573 119.914 0.103 0.000 2.406 569 V HA 0.421 4.538 4.120 -0.006 0.000 0.272 569 V C -2.383 173.761 176.094 0.082 0.000 1.043 569 V CA -2.195 60.169 62.300 0.107 0.000 0.915 569 V CB 1.152 33.076 31.823 0.168 0.000 0.988 569 V HN 0.767 nan 8.190 nan 0.000 0.466 570 P HA 0.174 nan 4.420 nan 0.000 0.263 570 P C -0.774 176.548 177.300 0.035 0.000 1.195 570 P CA 0.398 63.521 63.100 0.039 0.000 0.762 570 P CB 0.289 32.003 31.700 0.023 0.000 0.799 571 L N 4.461 125.686 121.223 0.004 0.000 2.325 571 L HA 0.357 4.693 4.340 -0.006 0.000 0.279 571 L C 2.164 179.007 176.870 -0.046 0.000 1.054 571 L CA -0.662 54.163 54.840 -0.024 0.000 0.804 571 L CB 1.084 43.087 42.059 -0.094 0.000 1.200 571 L HN 0.415 nan 8.230 nan 0.000 0.436 572 I N -0.938 119.614 120.570 -0.029 0.000 2.315 572 I HA -0.176 3.990 4.170 -0.006 0.000 0.251 572 I C 0.915 176.981 176.117 -0.086 0.000 1.125 572 I CA 1.400 62.682 61.300 -0.029 0.000 1.392 572 I CB -0.304 37.699 38.000 0.004 0.000 1.065 572 I HN 0.535 nan 8.210 nan 0.000 0.424 573 R N 2.555 122.962 120.500 -0.154 0.000 3.070 573 R HA 0.543 4.880 4.340 -0.006 0.000 0.252 573 R C 0.205 176.364 176.300 -0.236 0.000 1.370 573 R CA -0.098 55.852 56.100 -0.250 0.000 1.482 573 R CB 0.171 30.204 30.300 -0.445 0.000 1.220 573 R HN 0.435 nan 8.270 nan 0.000 0.622 574 A N 1.597 124.334 122.820 -0.139 0.000 2.407 574 A HA 0.180 4.497 4.320 -0.006 0.000 0.257 574 A C 0.129 177.662 177.584 -0.084 0.000 1.131 574 A CA 0.261 52.249 52.037 -0.082 0.000 0.803 574 A CB 0.458 19.428 19.000 -0.050 0.000 1.083 574 A HN 0.609 nan 8.150 nan 0.000 0.512 575 Q N -1.727 118.072 119.800 -0.002 0.000 3.155 575 Q HA 0.427 4.763 4.340 -0.006 0.000 0.186 575 Q C -1.029 175.021 176.000 0.083 0.000 0.949 575 Q CA 0.008 55.828 55.803 0.028 0.000 1.252 575 Q CB 0.392 29.142 28.738 0.019 0.000 1.715 575 Q HN 1.574 nan 8.270 nan 0.000 0.608 576 A N 4.862 127.713 122.820 0.052 0.000 2.388 576 A HA 0.672 4.989 4.320 -0.006 0.000 0.257 576 A C -2.384 175.097 177.584 -0.171 0.000 1.095 576 A CA -1.001 51.016 52.037 -0.033 0.000 0.791 576 A CB 0.028 19.082 19.000 0.090 0.000 1.029 576 A HN 0.456 nan 8.150 nan 0.000 0.489 577 P HA 0.025 nan 4.420 nan 0.000 0.265 577 P C 1.261 178.418 177.300 -0.237 0.000 1.187 577 P CA 0.272 62.985 63.100 -0.645 0.000 0.766 577 P CB 0.382 31.391 31.700 -1.151 0.000 0.820 578 V N 2.030 121.899 119.914 -0.075 0.000 2.688 578 V HA -0.087 4.030 4.120 -0.006 0.000 0.256 578 V C 0.785 176.841 176.094 -0.063 0.000 1.084 578 V CA 1.443 63.719 62.300 -0.039 0.000 1.103 578 V CB -0.663 31.195 31.823 0.059 0.000 0.688 578 V HN 0.377 nan 8.190 nan 0.000 0.480 579 V N 1.780 121.678 119.914 -0.028 0.000 2.524 579 V HA 0.655 4.771 4.120 -0.006 0.000 0.297 579 V C -0.587 175.458 176.094 -0.081 0.000 1.035 579 V CA -0.750 61.583 62.300 0.055 0.000 0.867 579 V CB 1.669 33.624 31.823 0.221 0.000 1.004 579 V HN 0.457 nan 8.190 nan 0.000 0.426 580 M N 4.320 123.871 119.600 -0.081 0.000 2.753 580 M HA 0.488 4.964 4.480 -0.006 0.000 0.299 580 M C 1.287 177.536 176.300 -0.084 0.000 1.219 580 M CA -0.182 55.026 55.300 -0.154 0.000 0.900 580 M CB 2.036 34.502 32.600 -0.225 0.000 1.628 580 M HN 0.700 nan 8.290 nan 0.000 0.502 581 T N -3.725 110.763 114.554 -0.110 0.000 3.039 581 T HA 0.369 4.715 4.350 -0.006 0.000 0.250 581 T C 1.146 175.827 174.700 -0.031 0.000 1.052 581 T CA 0.676 62.741 62.100 -0.059 0.000 1.125 581 T CB 0.228 69.041 68.868 -0.092 0.000 0.908 581 T HN 1.050 nan 8.240 nan 0.000 0.473 582 G N 0.573 109.328 108.800 -0.076 0.000 2.234 582 G HA2 -0.080 3.876 3.960 -0.006 0.000 0.153 582 G HA3 -0.080 3.876 3.960 -0.006 0.000 0.153 582 G C 0.535 175.398 174.900 -0.061 0.000 1.013 582 G CA 0.110 45.169 45.100 -0.068 0.000 0.712 582 G HN 0.470 nan 8.290 nan 0.000 0.491 583 L N 1.028 122.211 121.223 -0.066 0.000 2.609 583 L HA 0.189 4.526 4.340 -0.006 0.000 0.230 583 L C 2.721 179.565 176.870 -0.044 0.000 1.087 583 L CA 0.732 55.546 54.840 -0.044 0.000 0.874 583 L CB -0.040 42.000 42.059 -0.031 0.000 1.114 583 L HN 0.309 nan 8.230 nan 0.000 0.488 584 E N 1.551 121.705 120.200 -0.077 0.000 2.108 584 E HA -0.317 4.029 4.350 -0.006 0.000 0.203 584 E C 1.299 177.920 176.600 0.036 0.000 1.022 584 E CA 1.976 58.347 56.400 -0.048 0.000 0.823 584 E CB -0.477 29.147 29.700 -0.126 0.000 0.744 584 E HN 0.577 nan 8.360 nan 0.000 0.456 585 E N 0.459 120.679 120.200 0.033 0.000 2.017 585 E HA -0.121 4.226 4.350 -0.006 0.000 0.193 585 E C 2.355 179.029 176.600 0.124 0.000 0.997 585 E CA 0.894 57.397 56.400 0.171 0.000 0.804 585 E CB -0.179 29.618 29.700 0.162 0.000 0.757 585 E HN 0.128 nan 8.360 nan 0.000 0.448 586 R N 0.814 121.344 120.500 0.050 0.000 2.139 586 R HA -0.131 4.206 4.340 -0.006 0.000 0.243 586 R C 2.354 178.653 176.300 -0.002 0.000 1.145 586 R CA 0.718 56.822 56.100 0.008 0.000 0.976 586 R CB -0.864 29.424 30.300 -0.021 0.000 0.866 586 R HN 0.137 nan 8.270 nan 0.000 0.449 587 V N 0.886 120.808 119.914 0.013 0.000 2.216 587 V HA -0.237 3.880 4.120 -0.006 0.000 0.243 587 V C 2.616 178.725 176.094 0.026 0.000 1.044 587 V CA 2.012 64.318 62.300 0.009 0.000 0.995 587 V CB -1.050 30.782 31.823 0.014 0.000 0.633 587 V HN 0.252 nan 8.190 nan 0.000 0.446 588 V N -0.158 119.798 119.914 0.071 0.000 2.439 588 V HA -0.348 3.768 4.120 -0.006 0.000 0.253 588 V C 2.382 178.542 176.094 0.110 0.000 1.074 588 V CA 2.759 65.121 62.300 0.103 0.000 1.076 588 V CB -0.882 31.033 31.823 0.154 0.000 0.664 588 V HN 0.511 nan 8.190 nan 0.000 0.461 589 R N 0.072 120.614 120.500 0.070 0.000 2.052 589 R HA -0.082 4.255 4.340 -0.006 0.000 0.226 589 R C 2.249 178.440 176.300 -0.182 0.000 1.145 589 R CA 1.820 57.828 56.100 -0.153 0.000 0.952 589 R CB -0.420 29.750 30.300 -0.217 0.000 0.847 589 R HN 0.594 nan 8.270 nan 0.000 0.431 590 D N 0.663 120.996 120.400 -0.112 0.000 2.144 590 D HA -0.095 4.541 4.640 -0.006 0.000 0.200 590 D C 0.864 177.119 176.300 -0.076 0.000 0.978 590 D CA 1.097 55.036 54.000 -0.102 0.000 0.833 590 D CB -0.179 40.573 40.800 -0.081 0.000 0.961 590 D HN 0.281 nan 8.370 nan 0.000 0.470 591 S N -0.082 115.589 115.700 -0.048 0.000 2.624 591 S HA 0.265 4.731 4.470 -0.006 0.000 0.263 591 S C 0.371 174.952 174.600 -0.031 0.000 1.287 591 S CA -0.711 57.468 58.200 -0.035 0.000 0.990 591 S CB 1.150 64.341 63.200 -0.015 0.000 0.950 591 S HN 0.099 nan 8.310 nan 0.000 0.561 592 L N 2.011 123.215 121.223 -0.030 0.000 2.657 592 L HA 0.347 4.683 4.340 -0.006 0.000 0.239 592 L C 1.313 178.183 176.870 -0.000 0.000 1.215 592 L CA -0.449 54.379 54.840 -0.020 0.000 1.161 592 L CB -0.466 41.567 42.059 -0.043 0.000 1.436 592 L HN 0.990 nan 8.230 nan 0.000 0.414 593 A N 1.205 124.047 122.820 0.035 0.000 1.832 593 A HA 0.382 4.698 4.320 -0.006 0.000 0.214 593 A C 1.243 178.853 177.584 0.044 0.000 1.242 593 A CA 0.987 53.044 52.037 0.033 0.000 0.603 593 A CB -0.080 18.951 19.000 0.051 0.000 0.902 593 A HN 0.499 nan 8.150 nan 0.000 0.455 594 A N -1.278 121.611 122.820 0.116 0.000 2.256 594 A HA 0.639 4.955 4.320 -0.006 0.000 0.318 594 A C -0.791 176.891 177.584 0.162 0.000 1.103 594 A CA -0.455 51.624 52.037 0.070 0.000 0.860 594 A CB 0.301 19.281 19.000 -0.033 0.000 1.182 594 A HN 0.352 nan 8.150 nan 0.000 0.501 595 L N 0.888 122.147 121.223 0.059 0.000 2.282 595 L HA 0.452 4.788 4.340 -0.006 0.000 0.288 595 L C -0.943 175.995 176.870 0.114 0.000 1.033 595 L CA 0.255 55.183 54.840 0.147 0.000 0.807 595 L CB 0.653 42.777 42.059 0.109 0.000 1.209 595 L HN 0.605 nan 8.230 nan 0.000 0.423 596 Y N 1.334 121.678 120.300 0.073 0.000 2.488 596 Y HA 0.712 5.258 4.550 -0.006 0.000 0.325 596 Y C 0.493 176.467 175.900 0.122 0.000 1.204 596 Y CA -1.205 56.936 58.100 0.069 0.000 1.229 596 Y CB 1.287 39.769 38.460 0.037 0.000 1.274 596 Y HN 0.580 nan 8.280 nan 0.000 0.493 597 A N 1.520 124.466 122.820 0.210 0.000 2.320 597 A HA 0.291 4.608 4.320 -0.006 0.000 0.287 597 A C 0.762 178.392 177.584 0.078 0.000 1.181 597 A CA -0.468 51.655 52.037 0.143 0.000 0.831 597 A CB 0.131 19.175 19.000 0.074 0.000 1.102 597 A HN 0.955 nan 8.150 nan 0.000 0.513 598 E N 0.973 121.169 120.200 -0.008 0.000 1.987 598 E HA -0.106 4.240 4.350 -0.006 0.000 0.200 598 E C 0.254 176.683 176.600 -0.285 0.000 0.990 598 E CA 1.159 57.464 56.400 -0.159 0.000 0.859 598 E CB 0.014 29.557 29.700 -0.260 0.000 0.805 598 E HN 0.789 nan 8.360 nan 0.000 0.499 599 E N 1.097 120.929 120.200 -0.613 0.000 2.221 599 E HA 0.077 4.424 4.350 -0.006 0.000 0.268 599 E C -1.090 175.330 176.600 -0.300 0.000 0.933 599 E CA -0.573 55.583 56.400 -0.406 0.000 0.809 599 E CB 0.950 30.418 29.700 -0.388 0.000 1.190 599 E HN -0.024 nan 8.360 nan 0.000 0.406 600 D N 1.289 121.622 120.400 -0.111 0.000 2.474 600 D HA 0.305 4.941 4.640 -0.006 0.000 0.232 600 D C 0.293 176.634 176.300 0.067 0.000 1.177 600 D CA 1.610 55.602 54.000 -0.015 0.000 0.876 600 D CB 0.712 41.507 40.800 -0.008 0.000 1.208 600 D HN 0.606 nan 8.370 nan 0.000 0.464 601 G N 0.253 109.108 108.800 0.093 0.000 2.336 601 G HA2 0.259 4.216 3.960 -0.006 0.000 0.286 601 G HA3 0.259 4.216 3.960 -0.006 0.000 0.286 601 G C -1.621 173.313 174.900 0.056 0.000 1.269 601 G CA -0.658 44.512 45.100 0.117 0.000 0.873 601 G HN 0.470 nan 8.290 nan 0.000 0.494 602 E N -1.082 119.131 120.200 0.021 0.000 2.336 602 E HA 0.635 4.981 4.350 -0.006 0.000 0.267 602 E C -0.644 175.927 176.600 -0.048 0.000 0.906 602 E CA -0.755 55.637 56.400 -0.013 0.000 0.781 602 E CB 2.525 32.214 29.700 -0.019 0.000 1.261 602 E HN 0.380 nan 8.360 nan 0.000 0.436 603 V N 2.352 122.236 119.914 -0.051 0.000 2.607 603 V HA 0.337 4.453 4.120 -0.006 0.000 0.289 603 V C 0.712 176.763 176.094 -0.072 0.000 1.053 603 V CA 0.454 62.710 62.300 -0.074 0.000 0.996 603 V CB 1.044 32.832 31.823 -0.060 0.000 0.995 603 V HN 0.913 nan 8.190 nan 0.000 0.476 604 A N 4.271 127.037 122.820 -0.089 0.000 1.944 604 A HA 0.357 4.674 4.320 -0.006 0.000 0.209 604 A C 0.811 178.360 177.584 -0.058 0.000 1.328 604 A CA 0.405 52.398 52.037 -0.074 0.000 0.693 604 A CB 0.244 19.190 19.000 -0.089 0.000 0.994 604 A HN 0.711 nan 8.150 nan 0.000 0.485 605 K N -0.087 120.277 120.400 -0.060 0.000 2.375 605 K HA 0.558 4.874 4.320 -0.006 0.000 0.249 605 K C -1.534 175.043 176.600 -0.038 0.000 0.942 605 K CA -0.649 55.613 56.287 -0.042 0.000 0.806 605 K CB 2.684 35.163 32.500 -0.035 0.000 1.227 605 K HN 0.192 nan 8.250 nan 0.000 0.430 606 V N -0.734 119.164 119.914 -0.027 0.000 2.380 606 V HA 0.347 4.464 4.120 -0.006 0.000 0.268 606 V C -1.183 174.904 176.094 -0.011 0.000 1.008 606 V CA -0.985 61.302 62.300 -0.022 0.000 0.823 606 V CB 0.478 32.286 31.823 -0.025 0.000 1.053 606 V HN 0.602 nan 8.190 nan 0.000 0.446 607 D N 3.233 123.631 120.400 -0.003 0.000 2.229 607 D HA 0.573 5.209 4.640 -0.006 0.000 0.249 607 D C 1.409 177.718 176.300 0.016 0.000 1.027 607 D CA 0.264 54.268 54.000 0.006 0.000 0.923 607 D CB 1.840 42.647 40.800 0.010 0.000 1.174 607 D HN 0.513 nan 8.370 nan 0.000 0.443 608 G N 0.392 109.206 108.800 0.023 0.000 2.708 608 G HA2 -0.196 3.761 3.960 -0.006 0.000 0.210 608 G HA3 -0.196 3.761 3.960 -0.006 0.000 0.210 608 G C 0.626 175.559 174.900 0.054 0.000 1.141 608 G CA 0.368 45.492 45.100 0.039 0.000 0.788 608 G HN 0.508 nan 8.290 nan 0.000 0.531 609 N N -1.185 117.542 118.700 0.045 0.000 2.211 609 N HA 0.162 4.898 4.740 -0.006 0.000 0.216 609 N C 0.272 175.809 175.510 0.045 0.000 1.240 609 N CA -0.311 52.772 53.050 0.054 0.000 0.895 609 N CB 0.772 39.291 38.487 0.053 0.000 1.102 609 N HN 0.321 nan 8.380 nan 0.000 0.498 610 R N 0.540 121.062 120.500 0.035 0.000 2.663 610 R HA 0.466 4.802 4.340 -0.006 0.000 0.267 610 R C -1.860 174.456 176.300 0.027 0.000 1.038 610 R CA -0.686 55.439 56.100 0.041 0.000 0.886 610 R CB 0.928 31.252 30.300 0.040 0.000 1.249 610 R HN -0.114 nan 8.270 nan 0.000 0.463 611 I N 2.102 122.695 120.570 0.039 0.000 2.595 611 I HA 0.235 4.401 4.170 -0.006 0.000 0.275 611 I C -0.473 175.610 176.117 -0.056 0.000 1.092 611 I CA -1.190 60.106 61.300 -0.006 0.000 1.145 611 I CB 1.940 39.939 38.000 -0.002 0.000 1.276 611 I HN 0.298 nan 8.210 nan 0.000 0.497 612 V N 6.405 126.274 119.914 -0.075 0.000 2.370 612 V HA 0.110 4.227 4.120 -0.006 0.000 0.257 612 V C 0.683 176.654 176.094 -0.206 0.000 1.064 612 V CA -0.408 61.810 62.300 -0.136 0.000 0.975 612 V CB 0.748 32.515 31.823 -0.093 0.000 1.067 612 V HN 0.527 nan 8.190 nan 0.000 0.485 613 V N 3.237 122.945 119.914 -0.343 0.000 3.134 613 V HA 0.649 4.766 4.120 -0.006 0.000 0.313 613 V C 0.110 175.926 176.094 -0.463 0.000 1.069 613 V CA -1.114 60.974 62.300 -0.353 0.000 1.048 613 V CB 1.445 33.058 31.823 -0.351 0.000 1.119 613 V HN 0.786 nan 8.190 nan 0.000 0.461 614 R N 1.157 121.460 120.500 -0.328 0.000 2.407 614 R HA 0.416 4.752 4.340 -0.006 0.000 0.298 614 R C -1.177 175.047 176.300 -0.127 0.000 1.166 614 R CA -0.512 55.426 56.100 -0.271 0.000 1.006 614 R CB 0.616 30.832 30.300 -0.139 0.000 1.145 614 R HN 0.878 nan 8.270 nan 0.000 0.538 615 Y N 1.848 122.107 120.300 -0.067 0.000 2.497 615 Y HA -0.031 4.516 4.550 -0.006 0.000 0.334 615 Y C 1.235 177.115 175.900 -0.033 0.000 1.199 615 Y CA -0.566 57.504 58.100 -0.049 0.000 1.425 615 Y CB 0.852 39.286 38.460 -0.043 0.000 1.291 615 Y HN 0.428 nan 8.280 nan 0.000 0.562 616 E N 2.049 122.337 120.200 0.147 0.000 2.405 616 E HA -0.080 4.267 4.350 -0.006 0.000 0.194 616 E C -0.250 176.388 176.600 0.063 0.000 1.149 616 E CA 0.525 56.968 56.400 0.071 0.000 0.933 616 E CB -0.279 29.447 29.700 0.045 0.000 1.028 616 E HN 0.735 nan 8.360 nan 0.000 0.487 617 D N -0.602 119.855 120.400 0.095 0.000 2.369 617 D HA 0.134 4.771 4.640 -0.006 0.000 0.211 617 D C 1.128 177.462 176.300 0.058 0.000 1.077 617 D CA 0.525 54.568 54.000 0.071 0.000 0.842 617 D CB 0.791 41.642 40.800 0.085 0.000 0.947 617 D HN 0.244 nan 8.370 nan 0.000 0.509 618 G N 1.189 110.018 108.800 0.050 0.000 2.141 618 G HA2 -0.271 3.685 3.960 -0.006 0.000 0.231 618 G HA3 -0.271 3.685 3.960 -0.006 0.000 0.231 618 G C 0.241 175.151 174.900 0.016 0.000 0.984 618 G CA -0.064 45.050 45.100 0.024 0.000 0.660 618 G HN 0.455 nan 8.290 nan 0.000 0.525 619 R N -0.304 120.213 120.500 0.028 0.000 2.873 619 R HA 0.899 5.236 4.340 -0.006 0.000 0.264 619 R C -0.200 176.023 176.300 -0.128 0.000 1.026 619 R CA -0.988 55.109 56.100 -0.006 0.000 1.002 619 R CB 1.629 31.971 30.300 0.071 0.000 1.174 619 R HN 0.758 nan 8.270 nan 0.000 0.488 620 L N -1.130 119.989 121.223 -0.173 0.000 2.505 620 L HA 0.742 5.078 4.340 -0.006 0.000 0.266 620 L C -1.348 175.377 176.870 -0.241 0.000 0.954 620 L CA -1.156 53.514 54.840 -0.283 0.000 0.852 620 L CB 2.195 44.145 42.059 -0.181 0.000 1.282 620 L HN 0.385 nan 8.230 nan 0.000 0.403 621 V N 1.196 120.896 119.914 -0.356 0.000 2.823 621 V HA 0.444 4.560 4.120 -0.006 0.000 0.312 621 V C -0.340 175.678 176.094 -0.127 0.000 1.072 621 V CA -0.487 61.716 62.300 -0.161 0.000 0.937 621 V CB 2.263 34.069 31.823 -0.028 0.000 1.013 621 V HN 0.910 nan 8.190 nan 0.000 0.430 622 E N 2.627 122.854 120.200 0.044 0.000 2.167 622 E HA 0.282 4.629 4.350 -0.006 0.000 0.284 622 E C -1.613 175.185 176.600 0.329 0.000 1.016 622 E CA -0.377 56.080 56.400 0.094 0.000 0.817 622 E CB 0.739 30.473 29.700 0.055 0.000 1.080 622 E HN 0.745 nan 8.360 nan 0.000 0.397 623 Y N 5.706 125.989 120.300 -0.029 0.000 2.721 623 Y HA 0.261 4.807 4.550 -0.006 0.000 0.328 623 Y C -1.977 173.912 175.900 -0.018 0.000 1.003 623 Y CA -2.714 55.377 58.100 -0.014 0.000 1.275 623 Y CB 1.295 39.754 38.460 -0.002 0.000 1.097 623 Y HN 0.471 nan 8.280 nan 0.000 0.514 624 P HA 0.016 nan 4.420 nan 0.000 0.269 624 P C -0.899 176.402 177.300 0.003 0.000 1.217 624 P CA 0.221 63.339 63.100 0.030 0.000 0.783 624 P CB 0.788 32.488 31.700 0.001 0.000 0.898 625 L N 1.863 123.091 121.223 0.009 0.000 2.415 625 L HA 0.397 4.733 4.340 -0.006 0.000 0.268 625 L C 0.382 177.244 176.870 -0.013 0.000 0.984 625 L CA -0.668 54.161 54.840 -0.019 0.000 0.853 625 L CB 1.295 43.354 42.059 0.001 0.000 1.215 625 L HN 0.220 nan 8.230 nan 0.000 0.419 626 R N 3.938 124.363 120.500 -0.124 0.000 3.110 626 R HA -0.088 4.248 4.340 -0.006 0.000 0.347 626 R C 1.203 177.575 176.300 0.120 0.000 0.931 626 R CA -0.078 55.910 56.100 -0.187 0.000 1.003 626 R CB -0.097 29.801 30.300 -0.669 0.000 0.955 626 R HN 0.597 nan 8.270 nan 0.000 0.405 627 R N 2.448 123.137 120.500 0.315 0.000 2.325 627 R HA -0.183 4.154 4.340 -0.006 0.000 0.208 627 R C 0.246 176.617 176.300 0.119 0.000 1.043 627 R CA 1.529 57.784 56.100 0.258 0.000 0.829 627 R CB -0.440 30.093 30.300 0.387 0.000 0.763 627 R HN 0.338 nan 8.270 nan 0.000 0.446 628 F N 0.498 120.528 119.950 0.133 0.000 2.531 628 F HA 0.362 4.886 4.527 -0.006 0.000 0.333 628 F C -0.633 175.190 175.800 0.038 0.000 1.292 628 F CA -1.142 56.907 58.000 0.082 0.000 1.184 628 F CB 0.312 39.320 39.000 0.013 0.000 1.426 628 F HN 0.014 nan 8.300 nan 0.000 0.559 629 Y N 0.264 120.597 120.300 0.056 0.000 2.314 629 Y HA 0.381 4.927 4.550 -0.006 0.000 0.334 629 Y C 0.950 176.873 175.900 0.039 0.000 1.266 629 Y CA -0.618 57.497 58.100 0.026 0.000 1.391 629 Y CB 0.573 39.024 38.460 -0.016 0.000 1.306 629 Y HN 0.214 nan 8.280 nan 0.000 0.558 630 R N 1.684 122.281 120.500 0.162 0.000 2.196 630 R HA 0.285 4.622 4.340 -0.006 0.000 0.340 630 R C -0.598 175.753 176.300 0.086 0.000 1.043 630 R CA -0.332 55.845 56.100 0.129 0.000 0.883 630 R CB -0.096 30.321 30.300 0.196 0.000 1.078 630 R HN 0.690 nan 8.270 nan 0.000 0.462 631 S N 3.300 119.026 115.700 0.043 0.000 2.580 631 S HA 0.118 4.584 4.470 -0.006 0.000 0.274 631 S C 0.756 175.333 174.600 -0.039 0.000 1.329 631 S CA -0.699 57.500 58.200 -0.002 0.000 1.036 631 S CB 1.055 64.247 63.200 -0.014 0.000 0.919 631 S HN 0.685 nan 8.310 nan 0.000 0.515 632 N N 1.672 120.327 118.700 -0.075 0.000 2.132 632 N HA -0.147 4.590 4.740 -0.006 0.000 0.191 632 N C 1.369 176.821 175.510 -0.098 0.000 1.015 632 N CA 1.529 54.501 53.050 -0.130 0.000 0.864 632 N CB -0.284 38.098 38.487 -0.175 0.000 1.006 632 N HN 0.682 nan 8.380 nan 0.000 0.430 633 Q N -1.075 118.677 119.800 -0.079 0.000 2.360 633 Q HA 0.194 4.530 4.340 -0.006 0.000 0.202 633 Q C 1.211 177.208 176.000 -0.005 0.000 0.915 633 Q CA 0.561 56.312 55.803 -0.085 0.000 0.943 633 Q CB 0.662 29.265 28.738 -0.224 0.000 1.064 633 Q HN 0.488 nan 8.270 nan 0.000 0.511 634 G N 1.306 110.099 108.800 -0.011 0.000 2.213 634 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.226 634 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.226 634 G C 0.478 175.403 174.900 0.042 0.000 0.992 634 G CA 0.330 45.401 45.100 -0.049 0.000 0.632 634 G HN 0.415 nan 8.290 nan 0.000 0.511 635 T N 0.214 114.816 114.554 0.081 0.000 2.884 635 T HA 0.719 5.066 4.350 -0.006 0.000 0.298 635 T C 0.878 175.616 174.700 0.063 0.000 0.998 635 T CA 0.550 62.712 62.100 0.104 0.000 1.124 635 T CB 1.939 70.836 68.868 0.049 0.000 0.931 635 T HN 1.713 nan 8.240 nan 0.000 0.531 636 A N 3.004 125.872 122.820 0.080 0.000 2.409 636 A HA 0.588 4.904 4.320 -0.006 0.000 0.246 636 A C 0.544 178.119 177.584 -0.014 0.000 1.099 636 A CA -0.753 51.315 52.037 0.052 0.000 0.789 636 A CB -0.354 18.688 19.000 0.069 0.000 1.053 636 A HN 1.381 nan 8.150 nan 0.000 0.503 637 L N -0.424 120.762 121.223 -0.062 0.000 2.487 637 L HA 0.419 4.755 4.340 -0.006 0.000 0.261 637 L C -1.223 175.545 176.870 -0.169 0.000 1.223 637 L CA -0.807 53.977 54.840 -0.092 0.000 0.883 637 L CB 0.854 42.886 42.059 -0.046 0.000 1.065 637 L HN 0.641 nan 8.230 nan 0.000 0.488 638 D N 0.609 120.837 120.400 -0.286 0.000 2.272 638 D HA 0.433 5.070 4.640 -0.006 0.000 0.247 638 D C -0.733 175.436 176.300 -0.218 0.000 0.990 638 D CA -0.583 53.198 54.000 -0.366 0.000 0.931 638 D CB 2.213 42.559 40.800 -0.758 0.000 1.195 638 D HN 0.355 nan 8.370 nan 0.000 0.477 639 Q N 0.645 120.347 119.800 -0.164 0.000 2.508 639 Q HA 0.305 4.641 4.340 -0.006 0.000 0.247 639 Q C -0.805 175.145 176.000 -0.085 0.000 1.047 639 Q CA -0.280 55.459 55.803 -0.107 0.000 0.783 639 Q CB 1.354 30.046 28.738 -0.076 0.000 1.172 639 Q HN 0.189 nan 8.270 nan 0.000 0.515 640 R N 2.769 123.216 120.500 -0.089 0.000 2.288 640 R HA 0.283 4.619 4.340 -0.006 0.000 0.330 640 R C -2.280 173.984 176.300 -0.059 0.000 1.069 640 R CA -1.741 54.321 56.100 -0.064 0.000 0.941 640 R CB -0.187 30.074 30.300 -0.066 0.000 0.998 640 R HN 0.271 nan 8.270 nan 0.000 0.452 641 P HA -0.013 nan 4.420 nan 0.000 0.266 641 P C 0.012 177.277 177.300 -0.058 0.000 1.195 641 P CA -0.049 63.024 63.100 -0.046 0.000 0.768 641 P CB 0.723 32.406 31.700 -0.028 0.000 0.838 642 R N 0.965 121.421 120.500 -0.074 0.000 2.509 642 R HA 0.231 4.568 4.340 -0.006 0.000 0.297 642 R C -0.395 175.860 176.300 -0.076 0.000 0.951 642 R CA -0.056 55.994 56.100 -0.083 0.000 1.103 642 R CB -0.087 30.145 30.300 -0.114 0.000 1.283 642 R HN 0.255 nan 8.270 nan 0.000 0.534 643 V N 2.562 122.437 119.914 -0.065 0.000 2.472 643 V HA 0.284 4.400 4.120 -0.006 0.000 0.290 643 V C 0.887 176.954 176.094 -0.046 0.000 1.037 643 V CA -1.049 61.216 62.300 -0.057 0.000 0.908 643 V CB 1.929 33.719 31.823 -0.056 0.000 0.985 643 V HN -0.012 nan 8.190 nan 0.000 0.454 644 V N 3.564 123.453 119.914 -0.042 0.000 3.336 644 V HA 0.551 4.668 4.120 -0.006 0.000 0.304 644 V C 0.296 176.369 176.094 -0.034 0.000 1.073 644 V CA -0.617 61.662 62.300 -0.035 0.000 1.074 644 V CB 1.357 33.160 31.823 -0.032 0.000 1.161 644 V HN 0.578 nan 8.190 nan 0.000 0.460 645 V N 1.534 121.430 119.914 -0.030 0.000 2.529 645 V HA 0.517 4.634 4.120 -0.006 0.000 0.292 645 V C 1.330 177.406 176.094 -0.030 0.000 1.028 645 V CA 0.407 62.688 62.300 -0.031 0.000 1.074 645 V CB -0.687 31.121 31.823 -0.026 0.000 0.958 645 V HN 2.053 nan 8.190 nan 0.000 0.481 646 G N 3.313 112.092 108.800 -0.034 0.000 2.422 646 G HA2 -0.234 3.723 3.960 -0.006 0.000 0.290 646 G HA3 -0.234 3.723 3.960 -0.006 0.000 0.290 646 G C -0.282 174.602 174.900 -0.028 0.000 1.059 646 G CA 0.401 45.482 45.100 -0.032 0.000 1.242 646 G HN 0.980 nan 8.290 nan 0.000 0.520 647 Q N 0.145 119.927 119.800 -0.030 0.000 2.325 647 Q HA 0.414 4.750 4.340 -0.006 0.000 0.270 647 Q C 0.877 176.865 176.000 -0.019 0.000 1.020 647 Q CA -1.158 54.630 55.803 -0.025 0.000 0.785 647 Q CB 1.009 29.728 28.738 -0.030 0.000 1.259 647 Q HN 0.665 nan 8.270 nan 0.000 0.452 648 R N 1.985 122.478 120.500 -0.012 0.000 2.402 648 R HA 0.167 4.504 4.340 -0.006 0.000 0.331 648 R C 0.039 176.338 176.300 -0.002 0.000 1.040 648 R CA -0.248 55.850 56.100 -0.003 0.000 0.980 648 R CB -0.676 29.623 30.300 -0.002 0.000 0.967 648 R HN 0.260 nan 8.270 nan 0.000 0.440 649 V N 1.027 120.946 119.914 0.008 0.000 2.567 649 V HA 0.420 4.537 4.120 -0.006 0.000 0.289 649 V C 0.226 176.327 176.094 0.011 0.000 1.049 649 V CA -1.316 60.989 62.300 0.007 0.000 0.969 649 V CB 1.331 33.166 31.823 0.020 0.000 0.995 649 V HN 0.710 nan 8.190 nan 0.000 0.471 650 R N 2.887 123.389 120.500 0.003 0.000 2.234 650 R HA 0.314 4.650 4.340 -0.006 0.000 0.324 650 R C -0.035 176.270 176.300 0.010 0.000 1.054 650 R CA -0.740 55.363 56.100 0.005 0.000 0.912 650 R CB 0.269 30.573 30.300 0.006 0.000 1.030 650 R HN 0.981 nan 8.270 nan 0.000 0.455 651 K N 1.851 122.249 120.400 -0.004 0.000 2.404 651 K HA -0.071 4.245 4.320 -0.006 0.000 0.271 651 K C 0.502 177.121 176.600 0.032 0.000 1.130 651 K CA 1.463 57.741 56.287 -0.014 0.000 1.181 651 K CB -0.382 32.095 32.500 -0.039 0.000 0.840 651 K HN 0.912 nan 8.250 nan 0.000 0.483 652 G N 3.226 112.069 108.800 0.072 0.000 2.140 652 G HA2 -0.200 3.757 3.960 -0.006 0.000 0.211 652 G HA3 -0.200 3.757 3.960 -0.006 0.000 0.211 652 G C -0.975 174.069 174.900 0.240 0.000 1.013 652 G CA 0.023 45.231 45.100 0.180 0.000 0.705 652 G HN 0.741 nan 8.290 nan 0.000 0.508 653 D N 0.168 120.625 120.400 0.095 0.000 2.375 653 D HA 0.512 5.148 4.640 -0.006 0.000 0.247 653 D C 1.176 177.370 176.300 -0.178 0.000 1.061 653 D CA -0.694 53.287 54.000 -0.032 0.000 0.834 653 D CB 1.288 42.069 40.800 -0.031 0.000 1.247 653 D HN 0.637 nan 8.370 nan 0.000 0.489 654 L N 0.616 121.579 121.223 -0.434 0.000 2.678 654 L HA -0.027 4.310 4.340 -0.006 0.000 0.285 654 L C -0.339 176.387 176.870 -0.240 0.000 1.233 654 L CA 0.208 54.743 54.840 -0.509 0.000 0.920 654 L CB 0.320 42.078 42.059 -0.502 0.000 1.176 654 L HN 0.551 nan 8.230 nan 0.000 0.495 655 L N 4.054 125.180 121.223 -0.161 0.000 2.537 655 L HA 0.498 4.835 4.340 -0.006 0.000 0.224 655 L C 0.994 177.820 176.870 -0.073 0.000 1.065 655 L CA 0.570 55.364 54.840 -0.076 0.000 0.860 655 L CB 0.092 42.149 42.059 -0.003 0.000 1.086 655 L HN 0.910 nan 8.230 nan 0.000 0.482 656 A N -0.979 121.789 122.820 -0.087 0.000 2.515 656 A HA 0.523 4.839 4.320 -0.006 0.000 0.298 656 A C -1.468 176.048 177.584 -0.113 0.000 1.059 656 A CA -0.621 51.369 52.037 -0.078 0.000 0.698 656 A CB 1.596 20.575 19.000 -0.034 0.000 1.289 656 A HN -0.079 nan 8.150 nan 0.000 0.404 657 D N 0.297 120.633 120.400 -0.107 0.000 2.388 657 D HA 0.518 5.154 4.640 -0.006 0.000 0.254 657 D C 0.782 177.037 176.300 -0.074 0.000 1.111 657 D CA 0.436 54.372 54.000 -0.106 0.000 0.993 657 D CB 1.820 42.554 40.800 -0.109 0.000 1.118 657 D HN 0.712 nan 8.370 nan 0.000 0.502 658 G N 0.228 108.999 108.800 -0.049 0.000 2.588 658 G HA2 0.194 4.151 3.960 -0.006 0.000 0.278 658 G HA3 0.194 4.151 3.960 -0.006 0.000 0.278 658 G C -1.767 173.100 174.900 -0.055 0.000 1.307 658 G CA -0.681 44.398 45.100 -0.035 0.000 1.016 658 G HN 0.251 nan 8.290 nan 0.000 0.503 659 P HA -0.007 nan 4.420 nan 0.000 0.216 659 P C 0.654 177.927 177.300 -0.046 0.000 1.150 659 P CA 2.130 65.189 63.100 -0.067 0.000 0.837 659 P CB 0.304 31.972 31.700 -0.053 0.000 0.786 660 A N -1.570 121.238 122.820 -0.020 0.000 3.176 660 A HA 0.434 4.751 4.320 -0.006 0.000 0.265 660 A C -0.193 177.398 177.584 0.012 0.000 0.936 660 A CA -0.118 51.917 52.037 -0.002 0.000 1.033 660 A CB 0.039 19.052 19.000 0.021 0.000 1.158 660 A HN -0.071 nan 8.150 nan 0.000 0.485 661 S N 0.073 115.768 115.700 -0.009 0.000 2.530 661 S HA 0.286 4.753 4.470 -0.006 0.000 0.322 661 S C 0.746 175.322 174.600 -0.040 0.000 1.085 661 S CA -0.513 57.687 58.200 -0.001 0.000 1.096 661 S CB 1.862 65.058 63.200 -0.006 0.000 0.988 661 S HN 0.666 nan 8.310 nan 0.000 0.466 662 E N 2.851 123.037 120.200 -0.023 0.000 1.998 662 E HA -0.143 4.203 4.350 -0.006 0.000 0.196 662 E C 0.537 177.041 176.600 -0.160 0.000 1.003 662 E CA 0.993 57.352 56.400 -0.067 0.000 0.829 662 E CB 0.097 29.787 29.700 -0.016 0.000 0.777 662 E HN 0.612 nan 8.360 nan 0.000 0.460 663 N N -1.169 117.357 118.700 -0.289 0.000 2.672 663 N HA 0.099 4.836 4.740 -0.006 0.000 0.295 663 N C -0.384 174.767 175.510 -0.599 0.000 1.924 663 N CA 0.678 53.451 53.050 -0.461 0.000 0.851 663 N CB 0.957 39.097 38.487 -0.580 0.000 1.281 663 N HN 0.443 nan 8.380 nan 0.000 0.494 664 G N 0.731 109.355 108.800 -0.293 0.000 2.179 664 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.260 664 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.260 664 G C -0.097 174.898 174.900 0.159 0.000 0.977 664 G CA 0.066 45.084 45.100 -0.136 0.000 0.641 664 G HN 0.455 nan 8.290 nan 0.000 0.533 665 F N -0.318 119.620 119.950 -0.019 0.000 2.422 665 F HA 0.633 5.157 4.527 -0.006 0.000 0.333 665 F C 0.700 176.487 175.800 -0.022 0.000 1.095 665 F CA -1.561 56.427 58.000 -0.020 0.000 1.038 665 F CB 1.368 40.342 39.000 -0.044 0.000 1.156 665 F HN 0.068 nan 8.300 nan 0.000 0.483 666 L N 3.064 124.392 121.223 0.174 0.000 2.461 666 L HA 0.500 4.837 4.340 -0.006 0.000 0.272 666 L C -0.363 176.555 176.870 0.079 0.000 1.197 666 L CA 0.018 54.915 54.840 0.095 0.000 0.836 666 L CB 0.627 42.718 42.059 0.052 0.000 1.105 666 L HN 0.659 nan 8.230 nan 0.000 0.477 667 A N 5.820 128.697 122.820 0.095 0.000 2.547 667 A HA 0.539 4.855 4.320 -0.006 0.000 0.279 667 A C -0.394 177.299 177.584 0.182 0.000 1.088 667 A CA -0.419 51.698 52.037 0.133 0.000 0.796 667 A CB 0.337 19.390 19.000 0.088 0.000 1.308 667 A HN 0.772 nan 8.150 nan 0.000 0.415 668 L N 1.895 123.319 121.223 0.336 0.000 3.016 668 L HA 0.477 4.814 4.340 -0.006 0.000 0.267 668 L C 1.056 178.005 176.870 0.131 0.000 1.182 668 L CA 0.610 55.583 54.840 0.221 0.000 0.997 668 L CB 0.904 43.082 42.059 0.199 0.000 1.354 668 L HN 0.825 nan 8.230 nan 0.000 0.569 669 G N -0.647 108.243 108.800 0.150 0.000 2.772 669 G HA2 0.558 4.515 3.960 -0.006 0.000 0.284 669 G HA3 0.558 4.515 3.960 -0.006 0.000 0.284 669 G C -1.633 173.274 174.900 0.012 0.000 1.217 669 G CA -0.239 44.767 45.100 -0.156 0.000 0.831 669 G HN -0.013 nan 8.290 nan 0.000 0.523 670 Q N 0.017 119.809 119.800 -0.013 0.000 2.284 670 Q HA 0.268 4.604 4.340 -0.006 0.000 0.269 670 Q C -1.067 175.171 176.000 0.397 0.000 1.026 670 Q CA -0.602 55.304 55.803 0.172 0.000 0.831 670 Q CB 2.454 31.124 28.738 -0.113 0.000 1.322 670 Q HN 0.614 nan 8.270 nan 0.000 0.419 671 N N 0.863 119.844 118.700 0.468 0.000 2.458 671 N HA 0.261 4.997 4.740 -0.006 0.000 0.258 671 N C -1.094 174.617 175.510 0.334 0.000 1.219 671 N CA 0.012 53.307 53.050 0.409 0.000 0.902 671 N CB 1.029 39.702 38.487 0.310 0.000 1.076 671 N HN 0.169 nan 8.380 nan 0.000 0.455 672 V N 4.159 124.212 119.914 0.232 0.000 2.817 672 V HA 0.254 4.371 4.120 -0.006 0.000 0.303 672 V C -0.630 175.485 176.094 0.035 0.000 1.151 672 V CA -0.881 61.487 62.300 0.113 0.000 0.929 672 V CB 1.699 33.599 31.823 0.129 0.000 1.030 672 V HN 0.582 nan 8.190 nan 0.000 0.427 673 L N 6.287 127.483 121.223 -0.046 0.000 2.514 673 L HA 0.561 4.897 4.340 -0.006 0.000 0.280 673 L C -0.505 176.310 176.870 -0.092 0.000 1.223 673 L CA 0.573 55.330 54.840 -0.138 0.000 0.864 673 L CB 1.301 43.201 42.059 -0.266 0.000 1.118 673 L HN 0.778 nan 8.230 nan 0.000 0.494 674 V N 5.580 125.445 119.914 -0.081 0.000 2.777 674 V HA 0.751 4.868 4.120 -0.006 0.000 0.306 674 V C -0.304 175.761 176.094 -0.048 0.000 1.112 674 V CA -0.071 62.194 62.300 -0.059 0.000 0.917 674 V CB 1.837 33.635 31.823 -0.042 0.000 1.018 674 V HN 0.989 nan 8.190 nan 0.000 0.426 675 A N 6.164 128.961 122.820 -0.038 0.000 2.316 675 A HA 0.786 5.102 4.320 -0.006 0.000 0.284 675 A C -0.139 177.436 177.584 -0.015 0.000 1.115 675 A CA -0.373 51.655 52.037 -0.015 0.000 0.812 675 A CB 0.851 19.856 19.000 0.008 0.000 1.064 675 A HN 1.411 nan 8.150 nan 0.000 0.489 676 I N 3.169 123.734 120.570 -0.009 0.000 2.954 676 I HA 0.373 4.540 4.170 -0.006 0.000 0.312 676 I C -0.391 175.728 176.117 0.004 0.000 1.391 676 I CA -0.324 60.967 61.300 -0.015 0.000 0.906 676 I CB -0.458 37.517 38.000 -0.042 0.000 2.079 676 I HN 0.820 nan 8.210 nan 0.000 0.618 677 M N 3.121 122.741 119.600 0.035 0.000 2.812 677 M HA 0.792 5.269 4.480 -0.006 0.000 0.285 677 M C -2.936 173.419 176.300 0.091 0.000 1.216 677 M CA -1.999 53.334 55.300 0.055 0.000 0.749 677 M CB 1.209 33.851 32.600 0.071 0.000 1.756 677 M HN -0.162 nan 8.290 nan 0.000 0.439 678 P HA 0.462 nan 4.420 nan 0.000 0.301 678 P C -1.536 175.899 177.300 0.224 0.000 1.337 678 P CA -0.275 62.905 63.100 0.133 0.000 0.889 678 P CB 0.999 32.742 31.700 0.072 0.000 1.050 679 F N 1.320 121.311 119.950 0.068 0.000 2.363 679 F HA 0.278 4.804 4.527 -0.002 0.000 0.332 679 F C 1.146 176.990 175.800 0.073 0.000 1.039 679 F CA -0.403 57.657 58.000 0.101 0.000 1.127 679 F CB 0.348 39.451 39.000 0.171 0.000 1.701 679 F HN 0.197 nan 8.300 nan 0.000 0.532 680 D N 0.465 120.849 120.400 -0.027 0.000 2.745 680 D HA 0.167 4.804 4.640 -0.006 0.000 0.229 680 D C 1.112 177.236 176.300 -0.293 0.000 1.088 680 D CA 1.002 54.896 54.000 -0.176 0.000 1.054 680 D CB -0.869 39.816 40.800 -0.192 0.000 1.132 680 D HN 0.755 nan 8.370 nan 0.000 0.464 681 G N 1.225 109.986 108.800 -0.065 0.000 2.196 681 G HA2 -0.428 3.529 3.960 -0.006 0.000 0.268 681 G HA3 -0.428 3.529 3.960 -0.006 0.000 0.268 681 G C 1.000 175.913 174.900 0.022 0.000 0.975 681 G CA 0.737 45.823 45.100 -0.023 0.000 0.648 681 G HN 0.490 nan 8.290 nan 0.000 0.538 682 Y N 1.297 121.729 120.300 0.220 0.000 2.352 682 Y HA 0.010 4.557 4.550 -0.005 0.000 0.292 682 Y C 2.099 178.090 175.900 0.151 0.000 1.136 682 Y CA 1.518 59.726 58.100 0.180 0.000 1.227 682 Y CB -0.125 38.461 38.460 0.210 0.000 0.991 682 Y HN 0.597 nan 8.280 nan 0.000 0.545 683 N N -0.919 117.956 118.700 0.292 0.000 2.546 683 N HA 0.013 4.749 4.740 -0.006 0.000 0.286 683 N C 0.586 176.197 175.510 0.168 0.000 1.259 683 N CA -0.394 52.766 53.050 0.183 0.000 0.939 683 N CB -1.014 37.544 38.487 0.117 0.000 1.243 683 N HN 0.020 nan 8.380 nan 0.000 0.511 684 F N 1.695 121.678 119.950 0.055 0.000 2.360 684 F HA -0.283 4.239 4.527 -0.008 0.000 0.313 684 F C 2.147 177.958 175.800 0.019 0.000 1.440 684 F CA 2.010 60.025 58.000 0.024 0.000 1.262 684 F CB -0.368 38.639 39.000 0.012 0.000 0.872 684 F HN 0.340 nan 8.300 nan 0.000 0.615 685 E N -1.092 118.805 120.200 -0.506 0.000 2.107 685 E HA -0.134 4.213 4.350 -0.006 0.000 0.191 685 E C 0.291 176.781 176.600 -0.183 0.000 0.982 685 E CA 1.490 57.572 56.400 -0.530 0.000 0.809 685 E CB 0.102 29.579 29.700 -0.371 0.000 0.756 685 E HN 0.505 nan 8.360 nan 0.000 0.459 686 D N -0.965 119.406 120.400 -0.048 0.000 2.848 686 D HA 0.209 4.846 4.640 -0.006 0.000 0.303 686 D C -1.053 175.258 176.300 0.018 0.000 1.665 686 D CA 0.033 54.020 54.000 -0.021 0.000 0.807 686 D CB 0.722 41.512 40.800 -0.017 0.000 1.288 686 D HN 0.165 nan 8.370 nan 0.000 0.441 687 A N 0.468 123.322 122.820 0.058 0.000 2.287 687 A HA 0.767 5.084 4.320 -0.006 0.000 0.273 687 A C 0.063 177.675 177.584 0.046 0.000 1.091 687 A CA -0.038 52.045 52.037 0.076 0.000 0.817 687 A CB 0.700 19.788 19.000 0.148 0.000 1.069 687 A HN 0.177 nan 8.150 nan 0.000 0.492 688 I N 0.246 120.831 120.570 0.024 0.000 2.686 688 I HA 0.416 4.583 4.170 -0.006 0.000 0.295 688 I C -0.863 175.230 176.117 -0.040 0.000 1.114 688 I CA -1.030 60.259 61.300 -0.018 0.000 1.038 688 I CB 2.379 40.346 38.000 -0.055 0.000 1.238 688 I HN 0.476 nan 8.210 nan 0.000 0.420 689 V N 3.785 123.646 119.914 -0.088 0.000 2.435 689 V HA 0.585 4.702 4.120 -0.006 0.000 0.290 689 V C -0.402 175.579 176.094 -0.189 0.000 1.030 689 V CA -0.590 61.611 62.300 -0.164 0.000 0.881 689 V CB 1.672 33.323 31.823 -0.287 0.000 0.983 689 V HN 0.384 nan 8.190 nan 0.000 0.445 690 I N 2.965 123.429 120.570 -0.177 0.000 2.404 690 I HA 0.377 4.544 4.170 -0.006 0.000 0.293 690 I C 0.518 176.547 176.117 -0.147 0.000 0.992 690 I CA -0.111 61.095 61.300 -0.156 0.000 1.149 690 I CB 1.859 39.780 38.000 -0.132 0.000 1.315 690 I HN 0.820 nan 8.210 nan 0.000 0.446 691 S N 4.565 120.186 115.700 -0.131 0.000 2.455 691 S HA 0.041 4.507 4.470 -0.006 0.000 0.278 691 S C 1.311 175.867 174.600 -0.074 0.000 1.216 691 S CA -0.210 57.928 58.200 -0.104 0.000 1.055 691 S CB 0.038 63.182 63.200 -0.093 0.000 0.939 691 S HN 0.677 nan 8.310 nan 0.000 0.494 692 E N 3.144 123.308 120.200 -0.061 0.000 2.233 692 E HA -0.269 4.077 4.350 -0.006 0.000 0.199 692 E C 1.492 178.080 176.600 -0.020 0.000 1.004 692 E CA 1.620 57.999 56.400 -0.036 0.000 0.819 692 E CB -0.007 29.675 29.700 -0.030 0.000 0.738 692 E HN 0.856 nan 8.360 nan 0.000 0.478 693 E N 0.228 120.410 120.200 -0.030 0.000 2.171 693 E HA -0.182 4.164 4.350 -0.006 0.000 0.197 693 E C 1.917 178.499 176.600 -0.030 0.000 0.997 693 E CA 0.981 57.366 56.400 -0.025 0.000 0.810 693 E CB -0.120 29.557 29.700 -0.038 0.000 0.738 693 E HN 0.339 nan 8.360 nan 0.000 0.467 694 L N -0.128 121.064 121.223 -0.052 0.000 2.275 694 L HA -0.112 4.225 4.340 -0.006 0.000 0.215 694 L C 2.280 179.206 176.870 0.093 0.000 1.119 694 L CA 0.556 55.363 54.840 -0.054 0.000 0.790 694 L CB -0.111 41.922 42.059 -0.042 0.000 0.919 694 L HN 0.263 nan 8.230 nan 0.000 0.443 695 L N -0.922 120.345 121.223 0.072 0.000 2.249 695 L HA -0.085 4.251 4.340 -0.006 0.000 0.207 695 L C 2.459 179.383 176.870 0.090 0.000 1.090 695 L CA 0.682 55.580 54.840 0.096 0.000 0.802 695 L CB -0.038 42.054 42.059 0.055 0.000 0.947 695 L HN 0.122 nan 8.230 nan 0.000 0.453 696 K N 0.171 120.610 120.400 0.065 0.000 2.074 696 K HA -0.142 4.175 4.320 -0.006 0.000 0.209 696 K C 0.378 177.035 176.600 0.095 0.000 1.048 696 K CA 1.055 57.379 56.287 0.061 0.000 0.926 696 K CB -0.121 32.403 32.500 0.040 0.000 0.713 696 K HN 0.317 nan 8.250 nan 0.000 0.444 697 R N 1.603 122.191 120.500 0.147 0.000 2.357 697 R HA 0.081 4.417 4.340 -0.006 0.000 0.296 697 R C -0.687 175.768 176.300 0.258 0.000 1.052 697 R CA -0.267 55.974 56.100 0.235 0.000 0.988 697 R CB 0.678 31.231 30.300 0.422 0.000 1.025 697 R HN 0.035 nan 8.270 nan 0.000 0.469 698 D N 2.724 123.217 120.400 0.154 0.000 2.745 698 D HA -0.007 4.629 4.640 -0.006 0.000 0.229 698 D C 0.117 176.461 176.300 0.073 0.000 1.088 698 D CA 0.269 54.331 54.000 0.104 0.000 1.054 698 D CB -0.143 40.681 40.800 0.040 0.000 1.132 698 D HN 0.397 nan 8.370 nan 0.000 0.464 699 F N -0.152 119.801 119.950 0.005 0.000 2.012 699 F HA -0.066 4.458 4.527 -0.005 0.000 0.289 699 F C 1.305 177.009 175.800 -0.160 0.000 1.185 699 F CA 0.967 58.919 58.000 -0.081 0.000 1.149 699 F CB -0.271 38.720 39.000 -0.014 0.000 0.994 699 F HN 0.200 nan 8.300 nan 0.000 0.481 700 Y N 0.783 121.233 120.300 0.250 0.000 2.550 700 Y HA 0.089 4.636 4.550 -0.006 0.000 0.351 700 Y C 0.621 176.561 175.900 0.067 0.000 1.160 700 Y CA -0.429 57.745 58.100 0.124 0.000 1.337 700 Y CB -1.509 37.011 38.460 0.101 0.000 1.196 700 Y HN -0.076 nan 8.280 nan 0.000 0.498 701 T N -1.143 113.482 114.554 0.119 0.000 2.869 701 T HA 0.416 4.762 4.350 -0.006 0.000 0.295 701 T C 0.204 174.943 174.700 0.065 0.000 0.987 701 T CA -0.817 61.334 62.100 0.086 0.000 1.109 701 T CB 1.462 70.369 68.868 0.065 0.000 0.932 701 T HN 0.252 nan 8.240 nan 0.000 0.518 702 S N 2.404 118.149 115.700 0.075 0.000 2.594 702 S HA 0.559 5.026 4.470 -0.006 0.000 0.296 702 S C -0.471 174.201 174.600 0.120 0.000 1.124 702 S CA -1.077 57.177 58.200 0.090 0.000 1.011 702 S CB 0.633 63.891 63.200 0.097 0.000 1.016 702 S HN 0.700 nan 8.310 nan 0.000 0.485 703 I N 3.938 124.592 120.570 0.140 0.000 2.436 703 I HA 0.231 4.397 4.170 -0.006 0.000 0.289 703 I C 0.134 176.392 176.117 0.235 0.000 1.083 703 I CA -0.012 61.393 61.300 0.175 0.000 1.372 703 I CB 0.229 38.347 38.000 0.196 0.000 1.408 703 I HN 0.753 nan 8.210 nan 0.000 0.516 704 H N 7.152 126.289 119.070 0.111 0.000 2.524 704 H HA 0.607 5.160 4.556 -0.006 0.000 0.353 704 H C -0.975 174.428 175.328 0.125 0.000 1.136 704 H CA -0.560 55.562 56.048 0.122 0.000 1.193 704 H CB 1.448 31.283 29.762 0.122 0.000 1.558 704 H HN 0.401 nan 8.280 nan 0.000 0.515 705 I N 4.032 124.386 120.570 -0.361 0.000 2.411 705 I HA 0.194 4.361 4.170 -0.006 0.000 0.284 705 I C -0.332 175.618 176.117 -0.278 0.000 1.012 705 I CA -0.768 60.431 61.300 -0.169 0.000 1.119 705 I CB 1.376 39.377 38.000 0.002 0.000 1.261 705 I HN 0.520 nan 8.210 nan 0.000 0.448 706 E N 6.442 126.563 120.200 -0.133 0.000 2.250 706 E HA 0.406 4.752 4.350 -0.006 0.000 0.269 706 E C -0.709 175.777 176.600 -0.189 0.000 1.018 706 E CA -0.612 55.694 56.400 -0.157 0.000 0.873 706 E CB 1.339 31.000 29.700 -0.066 0.000 1.134 706 E HN 0.397 nan 8.360 nan 0.000 0.403 707 R N 3.797 124.067 120.500 -0.382 0.000 2.467 707 R HA 0.216 4.552 4.340 -0.006 0.000 0.299 707 R C -1.174 174.888 176.300 -0.397 0.000 1.120 707 R CA -0.482 55.304 56.100 -0.524 0.000 0.940 707 R CB 0.081 29.939 30.300 -0.736 0.000 1.161 707 R HN 0.483 nan 8.270 nan 0.000 0.506 708 Y N 1.453 121.607 120.300 -0.243 0.000 2.316 708 Y HA 0.393 4.939 4.550 -0.006 0.000 0.324 708 Y C 0.481 176.307 175.900 -0.123 0.000 1.267 708 Y CA -0.416 57.603 58.100 -0.135 0.000 1.311 708 Y CB 0.979 39.388 38.460 -0.084 0.000 1.267 708 Y HN 0.491 nan 8.280 nan 0.000 0.516 709 E N 1.987 122.231 120.200 0.073 0.000 2.378 709 E HA 0.553 4.900 4.350 -0.006 0.000 0.283 709 E C -2.113 174.511 176.600 0.040 0.000 0.979 709 E CA -0.615 55.806 56.400 0.036 0.000 0.795 709 E CB 2.284 31.979 29.700 -0.008 0.000 1.221 709 E HN 0.711 nan 8.360 nan 0.000 0.428 710 I N 2.104 122.696 120.570 0.037 0.000 2.769 710 I HA 0.472 4.639 4.170 -0.006 0.000 0.298 710 I C -1.461 174.672 176.117 0.027 0.000 1.128 710 I CA -0.482 60.836 61.300 0.031 0.000 1.031 710 I CB 1.955 39.974 38.000 0.030 0.000 1.235 710 I HN 0.600 nan 8.210 nan 0.000 0.423 711 E N 4.704 124.919 120.200 0.025 0.000 2.244 711 E HA 0.609 4.956 4.350 -0.006 0.000 0.266 711 E C -1.024 175.592 176.600 0.028 0.000 0.914 711 E CA -1.121 55.294 56.400 0.025 0.000 0.794 711 E CB 2.098 31.811 29.700 0.022 0.000 1.210 711 E HN 0.635 nan 8.360 nan 0.000 0.414 712 A N 3.362 126.199 122.820 0.029 0.000 2.506 712 A HA 0.253 4.569 4.320 -0.006 0.000 0.320 712 A C -0.055 177.550 177.584 0.034 0.000 1.424 712 A CA -0.357 51.701 52.037 0.034 0.000 1.044 712 A CB -0.040 18.980 19.000 0.033 0.000 1.140 712 A HN 0.456 nan 8.150 nan 0.000 0.538 713 R N 1.392 121.915 120.500 0.038 0.000 2.459 713 R HA 0.173 4.509 4.340 -0.006 0.000 0.281 713 R C -0.993 175.327 176.300 0.034 0.000 1.050 713 R CA -0.587 55.533 56.100 0.033 0.000 1.055 713 R CB 0.970 31.289 30.300 0.032 0.000 1.045 713 R HN 0.606 nan 8.270 nan 0.000 0.495 714 D N 1.743 122.155 120.400 0.020 0.000 2.422 714 D HA 0.092 4.729 4.640 -0.006 0.000 0.227 714 D C -0.725 175.572 176.300 -0.004 0.000 1.190 714 D CA 0.168 54.172 54.000 0.007 0.000 0.905 714 D CB 0.645 41.445 40.800 0.000 0.000 1.034 714 D HN 0.280 nan 8.370 nan 0.000 0.507 715 T N 3.128 117.676 114.554 -0.010 0.000 2.907 715 T HA 0.159 4.506 4.350 -0.006 0.000 0.284 715 T C 1.422 176.075 174.700 -0.079 0.000 1.004 715 T CA -0.704 61.382 62.100 -0.025 0.000 1.063 715 T CB 1.524 70.396 68.868 0.007 0.000 0.992 715 T HN 0.098 nan 8.240 nan 0.000 0.483 716 K N 1.708 122.067 120.400 -0.069 0.000 2.555 716 K HA 0.145 4.461 4.320 -0.006 0.000 0.193 716 K C 1.267 177.778 176.600 -0.149 0.000 1.032 716 K CA 0.489 56.721 56.287 -0.091 0.000 1.004 716 K CB -0.191 32.276 32.500 -0.055 0.000 0.804 716 K HN 0.526 nan 8.250 nan 0.000 0.496 717 L N -0.747 120.365 121.223 -0.186 0.000 2.585 717 L HA 0.169 4.506 4.340 -0.006 0.000 0.226 717 L C 0.476 176.840 176.870 -0.843 0.000 1.113 717 L CA -0.135 54.528 54.840 -0.297 0.000 0.876 717 L CB 0.375 42.379 42.059 -0.091 0.000 1.072 717 L HN 0.143 nan 8.230 nan 0.000 0.468 718 G N 0.220 108.595 108.800 -0.708 0.000 2.760 718 G HA2 -0.030 3.926 3.960 -0.006 0.000 0.540 718 G HA3 -0.030 3.926 3.960 -0.006 0.000 0.540 718 G C -3.062 171.661 174.900 -0.295 0.000 1.476 718 G CA -1.225 43.290 45.100 -0.975 0.000 0.949 718 G HN -0.280 nan 8.290 nan 0.000 0.633 719 P HA 0.105 nan 4.420 nan 0.000 0.263 719 P C 0.196 177.613 177.300 0.196 0.000 1.175 719 P CA 0.568 63.706 63.100 0.062 0.000 0.761 719 P CB 0.424 32.149 31.700 0.042 0.000 0.794 720 E N 3.353 123.642 120.200 0.148 0.000 2.220 720 E HA 0.058 4.404 4.350 -0.006 0.000 0.272 720 E C 0.204 176.864 176.600 0.100 0.000 1.099 720 E CA -0.030 56.456 56.400 0.143 0.000 0.907 720 E CB 0.349 30.105 29.700 0.095 0.000 1.022 720 E HN 0.254 nan 8.360 nan 0.000 0.428 721 R N 2.683 123.239 120.500 0.094 0.000 2.390 721 R HA 0.262 4.598 4.340 -0.006 0.000 0.291 721 R C 0.275 176.592 176.300 0.029 0.000 1.070 721 R CA -0.338 55.796 56.100 0.057 0.000 1.014 721 R CB 0.791 31.119 30.300 0.047 0.000 1.007 721 R HN 0.554 nan 8.270 nan 0.000 0.466 722 I N 4.261 124.845 120.570 0.024 0.000 2.325 722 I HA 0.102 4.269 4.170 -0.006 0.000 0.285 722 I C -0.465 175.655 176.117 0.005 0.000 1.128 722 I CA 0.037 61.345 61.300 0.014 0.000 1.261 722 I CB 0.037 38.047 38.000 0.016 0.000 1.529 722 I HN 0.632 nan 8.210 nan 0.000 0.557 723 T N 1.427 115.979 114.554 -0.003 0.000 2.932 723 T HA 0.369 4.715 4.350 -0.006 0.000 0.289 723 T C 0.741 175.431 174.700 -0.016 0.000 1.039 723 T CA -0.868 61.226 62.100 -0.010 0.000 1.024 723 T CB 1.871 70.731 68.868 -0.014 0.000 1.090 723 T HN 0.501 nan 8.240 nan 0.000 0.496 724 R N 0.065 120.554 120.500 -0.018 0.000 2.346 724 R HA 0.056 4.392 4.340 -0.006 0.000 0.208 724 R C -0.870 175.413 176.300 -0.028 0.000 1.052 724 R CA 0.058 56.145 56.100 -0.021 0.000 1.116 724 R CB -0.422 29.866 30.300 -0.020 0.000 1.003 724 R HN 0.562 nan 8.270 nan 0.000 0.482 725 D N 0.436 120.817 120.400 -0.033 0.000 2.412 725 D HA 0.199 4.835 4.640 -0.006 0.000 0.224 725 D C -0.481 175.789 176.300 -0.050 0.000 1.093 725 D CA -0.095 53.878 54.000 -0.045 0.000 0.850 725 D CB 1.147 41.915 40.800 -0.053 0.000 1.046 725 D HN 0.119 nan 8.370 nan 0.000 0.507 726 I N 4.249 124.790 120.570 -0.048 0.000 2.395 726 I HA 0.144 4.311 4.170 -0.006 0.000 0.282 726 I C -1.284 174.794 176.117 -0.065 0.000 1.107 726 I CA -1.831 59.444 61.300 -0.041 0.000 1.210 726 I CB 1.279 39.266 38.000 -0.022 0.000 1.456 726 I HN 0.131 nan 8.210 nan 0.000 0.504 727 P HA -0.276 nan 4.420 nan 0.000 0.233 727 P C 1.157 178.216 177.300 -0.402 0.000 1.146 727 P CA 1.855 64.783 63.100 -0.286 0.000 0.931 727 P CB 0.019 31.516 31.700 -0.339 0.000 0.777 728 H N -3.977 115.073 119.070 -0.033 0.000 2.557 728 H HA 0.205 4.757 4.556 -0.006 0.000 0.281 728 H C 1.514 176.824 175.328 -0.029 0.000 0.990 728 H CA 0.624 56.656 56.048 -0.028 0.000 1.278 728 H CB 0.425 30.174 29.762 -0.022 0.000 1.451 728 H HN 0.067 nan 8.280 nan 0.000 0.516 729 L N -1.334 119.925 121.223 0.060 0.000 2.598 729 L HA 0.204 4.540 4.340 -0.006 0.000 0.205 729 L C 0.632 177.500 176.870 -0.004 0.000 1.054 729 L CA 0.525 55.382 54.840 0.028 0.000 0.934 729 L CB 0.050 42.129 42.059 0.033 0.000 1.704 729 L HN -0.069 nan 8.230 nan 0.000 0.491 730 S N -0.988 114.707 115.700 -0.007 0.000 2.599 730 S HA 0.362 4.829 4.470 -0.006 0.000 0.287 730 S C 0.404 174.992 174.600 -0.020 0.000 1.105 730 S CA -0.237 57.953 58.200 -0.016 0.000 0.899 730 S CB 2.258 65.449 63.200 -0.015 0.000 1.100 730 S HN 0.210 nan 8.310 nan 0.000 0.482 731 E N 2.320 122.507 120.200 -0.023 0.000 2.190 731 E HA 0.283 4.630 4.350 -0.006 0.000 0.191 731 E C 1.799 178.386 176.600 -0.022 0.000 0.978 731 E CA 1.453 57.839 56.400 -0.023 0.000 0.839 731 E CB -0.393 29.293 29.700 -0.024 0.000 0.787 731 E HN 0.645 nan 8.360 nan 0.000 0.473 732 A N 1.013 123.821 122.820 -0.020 0.000 1.917 732 A HA -0.103 4.213 4.320 -0.006 0.000 0.219 732 A C 2.348 179.919 177.584 -0.021 0.000 1.182 732 A CA 2.028 54.053 52.037 -0.020 0.000 0.633 732 A CB -0.940 18.049 19.000 -0.018 0.000 0.819 732 A HN 0.367 nan 8.150 nan 0.000 0.448 733 A N -1.555 121.253 122.820 -0.021 0.000 2.238 733 A HA 0.327 4.643 4.320 -0.006 0.000 0.208 733 A C 1.770 179.339 177.584 -0.025 0.000 1.177 733 A CA 0.655 52.678 52.037 -0.023 0.000 0.804 733 A CB -0.181 18.807 19.000 -0.020 0.000 0.823 733 A HN 0.389 nan 8.150 nan 0.000 0.482 734 L N -0.849 120.359 121.223 -0.025 0.000 2.354 734 L HA 0.077 4.414 4.340 -0.006 0.000 0.212 734 L C 2.139 178.994 176.870 -0.026 0.000 1.091 734 L CA 0.780 55.605 54.840 -0.026 0.000 0.828 734 L CB -0.956 41.088 42.059 -0.025 0.000 0.973 734 L HN 0.451 nan 8.230 nan 0.000 0.461 735 R N 0.648 121.133 120.500 -0.025 0.000 2.383 735 R HA -0.289 4.048 4.340 -0.006 0.000 0.213 735 R C 1.561 177.845 176.300 -0.026 0.000 1.056 735 R CA 2.331 58.416 56.100 -0.025 0.000 0.805 735 R CB -0.840 29.446 30.300 -0.024 0.000 0.844 735 R HN 0.271 nan 8.270 nan 0.000 0.417 736 D N 0.596 120.979 120.400 -0.029 0.000 2.280 736 D HA -0.154 4.482 4.640 -0.006 0.000 0.206 736 D C 1.665 177.946 176.300 -0.032 0.000 0.988 736 D CA 1.036 55.016 54.000 -0.032 0.000 0.886 736 D CB -0.228 40.549 40.800 -0.039 0.000 0.914 736 D HN 0.295 nan 8.370 nan 0.000 0.473 737 L N 0.566 121.770 121.223 -0.031 0.000 2.622 737 L HA -0.073 4.264 4.340 -0.006 0.000 0.233 737 L C 1.409 178.264 176.870 -0.024 0.000 1.156 737 L CA 0.007 54.830 54.840 -0.029 0.000 0.866 737 L CB -0.230 41.812 42.059 -0.028 0.000 0.980 737 L HN -0.050 nan 8.230 nan 0.000 0.448 738 D N 1.080 121.466 120.400 -0.024 0.000 2.070 738 D HA -0.260 4.376 4.640 -0.006 0.000 0.578 738 D C 0.532 176.821 176.300 -0.019 0.000 0.816 738 D CA 1.820 55.808 54.000 -0.021 0.000 1.627 738 D CB -0.373 40.414 40.800 -0.022 0.000 0.753 738 D HN 0.366 nan 8.370 nan 0.000 0.354 739 E N 2.604 122.793 120.200 -0.018 0.000 2.672 739 E HA -0.034 4.313 4.350 -0.006 0.000 0.234 739 E C -0.222 176.370 176.600 -0.014 0.000 1.162 739 E CA 0.342 56.733 56.400 -0.015 0.000 0.952 739 E CB -0.881 28.811 29.700 -0.014 0.000 0.987 739 E HN 0.361 nan 8.360 nan 0.000 0.507 740 E N 1.785 121.977 120.200 -0.013 0.000 3.355 740 E HA -0.109 4.237 4.350 -0.006 0.000 0.234 740 E C 1.038 177.632 176.600 -0.010 0.000 0.952 740 E CA 0.845 57.238 56.400 -0.012 0.000 0.928 740 E CB -0.664 29.029 29.700 -0.011 0.000 0.873 740 E HN 0.843 nan 8.360 nan 0.000 0.525 741 G N 1.102 109.894 108.800 -0.013 0.000 2.780 741 G HA2 -0.279 3.678 3.960 -0.006 0.000 0.237 741 G HA3 -0.279 3.678 3.960 -0.006 0.000 0.237 741 G C 0.325 175.218 174.900 -0.012 0.000 1.965 741 G CA -0.403 44.691 45.100 -0.011 0.000 1.577 741 G HN 0.432 nan 8.290 nan 0.000 0.543 742 V N 1.845 121.753 119.914 -0.009 0.000 3.388 742 V HA 0.351 4.467 4.120 -0.006 0.000 0.301 742 V C 1.415 177.498 176.094 -0.018 0.000 1.160 742 V CA 0.529 62.824 62.300 -0.009 0.000 1.277 742 V CB 1.381 33.201 31.823 -0.004 0.000 1.018 742 V HN 1.089 nan 8.190 nan 0.000 0.504 743 V N 3.996 123.897 119.914 -0.022 0.000 2.539 743 V HA 0.470 4.587 4.120 -0.006 0.000 0.292 743 V C 0.588 176.666 176.094 -0.027 0.000 1.045 743 V CA -0.834 61.447 62.300 -0.031 0.000 0.945 743 V CB 1.534 33.329 31.823 -0.047 0.000 0.993 743 V HN 1.025 nan 8.190 nan 0.000 0.464 744 R N 6.329 126.812 120.500 -0.029 0.000 2.694 744 R HA 0.314 4.650 4.340 -0.006 0.000 0.268 744 R C -0.148 176.133 176.300 -0.030 0.000 1.061 744 R CA -0.404 55.679 56.100 -0.028 0.000 1.133 744 R CB 0.256 30.540 30.300 -0.028 0.000 1.020 744 R HN 0.530 nan 8.270 nan 0.000 0.475 745 I N 1.710 122.261 120.570 -0.031 0.000 2.892 745 I HA 0.084 4.250 4.170 -0.006 0.000 0.287 745 I C 1.447 177.541 176.117 -0.038 0.000 1.205 745 I CA 0.956 62.235 61.300 -0.036 0.000 1.409 745 I CB -0.011 37.965 38.000 -0.040 0.000 1.367 745 I HN 1.059 nan 8.210 nan 0.000 0.597 746 G N 4.245 113.019 108.800 -0.043 0.000 2.249 746 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.273 746 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.273 746 G C 0.265 175.142 174.900 -0.038 0.000 1.036 746 G CA 0.305 45.379 45.100 -0.044 0.000 0.824 746 G HN 1.121 nan 8.290 nan 0.000 0.504 747 A N -0.235 122.562 122.820 -0.038 0.000 2.288 747 A HA 0.713 5.029 4.320 -0.006 0.000 0.320 747 A C 0.312 177.872 177.584 -0.041 0.000 1.217 747 A CA -0.207 51.807 52.037 -0.038 0.000 0.840 747 A CB 0.828 19.804 19.000 -0.040 0.000 1.179 747 A HN 0.518 nan 8.150 nan 0.000 0.504 748 E N 2.425 122.603 120.200 -0.036 0.000 2.166 748 E HA 0.327 4.674 4.350 -0.006 0.000 0.279 748 E C -0.539 176.035 176.600 -0.043 0.000 1.095 748 E CA -0.284 56.096 56.400 -0.034 0.000 0.888 748 E CB 0.451 30.136 29.700 -0.025 0.000 1.041 748 E HN 0.575 nan 8.360 nan 0.000 0.414 749 V N 2.742 122.621 119.914 -0.057 0.000 2.333 749 V HA 0.448 4.565 4.120 -0.006 0.000 0.274 749 V C -0.089 175.965 176.094 -0.066 0.000 1.028 749 V CA -0.882 61.371 62.300 -0.077 0.000 0.851 749 V CB 0.932 32.678 31.823 -0.128 0.000 1.000 749 V HN 0.468 nan 8.190 nan 0.000 0.456 750 K N 4.551 124.921 120.400 -0.050 0.000 2.090 750 K HA 0.490 4.807 4.320 -0.006 0.000 0.249 750 K C -2.582 173.994 176.600 -0.040 0.000 0.995 750 K CA -1.999 54.268 56.287 -0.033 0.000 0.914 750 K CB 1.300 33.787 32.500 -0.021 0.000 1.057 750 K HN 0.424 nan 8.250 nan 0.000 0.462 751 P HA -0.103 nan 4.420 nan 0.000 0.261 751 P C 0.383 177.662 177.300 -0.035 0.000 1.183 751 P CA 1.154 64.238 63.100 -0.027 0.000 0.761 751 P CB 0.354 32.050 31.700 -0.007 0.000 0.785 752 G N 2.544 111.316 108.800 -0.048 0.000 2.349 752 G HA2 -0.181 3.776 3.960 -0.006 0.000 0.213 752 G HA3 -0.181 3.776 3.960 -0.006 0.000 0.213 752 G C 0.145 175.015 174.900 -0.050 0.000 1.044 752 G CA -0.373 44.699 45.100 -0.046 0.000 0.633 752 G HN 0.497 nan 8.290 nan 0.000 0.506 753 D N 1.567 121.934 120.400 -0.056 0.000 2.390 753 D HA 0.271 4.908 4.640 -0.006 0.000 0.236 753 D C 0.935 177.192 176.300 -0.072 0.000 1.189 753 D CA 0.335 54.299 54.000 -0.060 0.000 0.887 753 D CB 0.605 41.366 40.800 -0.065 0.000 1.198 753 D HN 0.187 nan 8.370 nan 0.000 0.444 754 I N 2.314 122.847 120.570 -0.062 0.000 2.441 754 I HA -0.033 4.133 4.170 -0.006 0.000 0.287 754 I C 1.233 177.303 176.117 -0.078 0.000 1.049 754 I CA -0.155 61.109 61.300 -0.061 0.000 1.381 754 I CB 1.056 39.030 38.000 -0.043 0.000 1.409 754 I HN 0.278 nan 8.210 nan 0.000 0.523 755 L N 6.299 127.469 121.223 -0.089 0.000 2.425 755 L HA 0.328 4.664 4.340 -0.006 0.000 0.215 755 L C 0.265 177.099 176.870 -0.059 0.000 1.065 755 L CA 0.814 55.591 54.840 -0.105 0.000 0.842 755 L CB 0.725 42.681 42.059 -0.172 0.000 1.033 755 L HN 0.352 nan 8.230 nan 0.000 0.474 756 V N -1.138 118.753 119.914 -0.040 0.000 2.852 756 V HA 0.537 4.653 4.120 -0.006 0.000 0.300 756 V C 0.011 176.096 176.094 -0.015 0.000 1.205 756 V CA -0.864 61.424 62.300 -0.020 0.000 0.940 756 V CB 1.626 33.447 31.823 -0.004 0.000 1.047 756 V HN 0.243 nan 8.190 nan 0.000 0.429 757 G N 2.611 111.403 108.800 -0.014 0.000 2.415 757 G HA2 0.683 4.639 3.960 -0.006 0.000 0.269 757 G HA3 0.683 4.639 3.960 -0.006 0.000 0.269 757 G C -0.576 174.321 174.900 -0.005 0.000 1.209 757 G CA -0.354 44.738 45.100 -0.012 0.000 0.835 757 G HN 0.792 nan 8.290 nan 0.000 0.534 758 R N 0.077 120.575 120.500 -0.004 0.000 2.548 758 R HA 0.548 4.884 4.340 -0.006 0.000 0.280 758 R C -1.015 175.284 176.300 -0.003 0.000 1.061 758 R CA -0.556 55.547 56.100 0.004 0.000 0.915 758 R CB 1.745 32.053 30.300 0.013 0.000 1.210 758 R HN 0.666 nan 8.270 nan 0.000 0.442 759 T N 0.804 115.356 114.554 -0.004 0.000 2.892 759 T HA 0.462 4.809 4.350 -0.006 0.000 0.311 759 T C -0.066 174.630 174.700 -0.006 0.000 1.033 759 T CA -0.626 61.451 62.100 -0.039 0.000 0.991 759 T CB 1.228 70.040 68.868 -0.093 0.000 0.981 759 T HN 0.548 nan 8.240 nan 0.000 0.457 760 S N 2.496 118.204 115.700 0.015 0.000 2.745 760 S HA 0.833 5.300 4.470 -0.006 0.000 0.292 760 S C -0.717 173.936 174.600 0.088 0.000 1.127 760 S CA -0.919 57.365 58.200 0.140 0.000 1.007 760 S CB 0.402 63.674 63.200 0.120 0.000 1.165 760 S HN 0.508 nan 8.310 nan 0.000 0.544 761 F N 1.219 121.179 119.950 0.018 0.000 2.436 761 F HA 0.541 5.064 4.527 -0.006 0.000 0.340 761 F C 1.319 177.132 175.800 0.022 0.000 1.113 761 F CA -1.194 56.818 58.000 0.020 0.000 1.022 761 F CB 1.473 40.483 39.000 0.016 0.000 1.128 761 F HN 0.789 nan 8.300 nan 0.000 0.466 762 K N 2.357 122.829 120.400 0.120 0.000 2.436 762 K HA -0.146 4.171 4.320 -0.006 0.000 0.228 762 K C 1.222 177.877 176.600 0.091 0.000 0.733 762 K CA 1.554 57.889 56.287 0.081 0.000 0.930 762 K CB -0.704 31.833 32.500 0.061 0.000 0.423 762 K HN 0.854 nan 8.250 nan 0.000 0.939 763 G N -0.158 108.693 108.800 0.085 0.000 2.661 763 G HA2 -0.108 3.848 3.960 -0.006 0.000 0.272 763 G HA3 -0.108 3.848 3.960 -0.006 0.000 0.272 763 G C 0.490 175.432 174.900 0.070 0.000 1.296 763 G CA -0.124 45.016 45.100 0.067 0.000 0.998 763 G HN 0.618 nan 8.290 nan 0.000 0.553 764 E N -0.841 119.389 120.200 0.051 0.000 2.112 764 E HA 0.016 4.362 4.350 -0.006 0.000 0.190 764 E C 1.798 178.419 176.600 0.036 0.000 0.979 764 E CA 1.447 57.872 56.400 0.042 0.000 0.814 764 E CB 0.330 30.049 29.700 0.031 0.000 0.762 764 E HN 0.346 nan 8.360 nan 0.000 0.460 765 S N -0.767 114.954 115.700 0.036 0.000 2.221 765 S HA 0.085 4.551 4.470 -0.006 0.000 0.264 765 S C -0.139 174.480 174.600 0.032 0.000 0.971 765 S CA -0.289 57.927 58.200 0.027 0.000 1.397 765 S CB 1.025 64.234 63.200 0.015 0.000 1.050 765 S HN 0.032 nan 8.310 nan 0.000 0.507 766 E N 1.561 121.782 120.200 0.035 0.000 2.299 766 E HA 0.601 4.948 4.350 -0.006 0.000 0.265 766 E C -2.509 174.117 176.600 0.044 0.000 0.911 766 E CA -1.737 54.684 56.400 0.036 0.000 0.789 766 E CB 0.680 30.396 29.700 0.026 0.000 1.246 766 E HN -0.020 nan 8.360 nan 0.000 0.427 767 P HA 0.186 nan 4.420 nan 0.000 0.335 767 P C -0.685 176.637 177.300 0.036 0.000 1.379 767 P CA -0.293 62.834 63.100 0.045 0.000 0.794 767 P CB 0.369 32.094 31.700 0.043 0.000 1.849 768 T N -0.286 114.286 114.554 0.031 0.000 3.031 768 T HA 0.261 4.608 4.350 -0.006 0.000 0.305 768 T C -2.263 172.449 174.700 0.020 0.000 0.985 768 T CA -0.691 61.424 62.100 0.025 0.000 1.008 768 T CB 1.481 70.364 68.868 0.024 0.000 1.005 768 T HN 0.092 nan 8.240 nan 0.000 0.444 769 P HA -0.090 nan 4.420 nan 0.000 0.216 769 P C 1.551 178.856 177.300 0.009 0.000 1.150 769 P CA 0.883 63.990 63.100 0.012 0.000 0.837 769 P CB 0.405 32.111 31.700 0.010 0.000 0.786 770 E N -0.343 119.863 120.200 0.009 0.000 2.028 770 E HA -0.194 4.153 4.350 -0.006 0.000 0.191 770 E C 1.983 178.588 176.600 0.007 0.000 0.988 770 E CA 1.062 57.466 56.400 0.006 0.000 0.799 770 E CB -0.622 29.083 29.700 0.008 0.000 0.755 770 E HN 0.417 nan 8.360 nan 0.000 0.447 771 E N 0.578 120.786 120.200 0.013 0.000 2.338 771 E HA -0.189 4.158 4.350 -0.006 0.000 0.197 771 E C 2.034 178.647 176.600 0.022 0.000 1.007 771 E CA 0.441 56.853 56.400 0.019 0.000 0.849 771 E CB 0.158 29.872 29.700 0.024 0.000 0.774 771 E HN -0.100 nan 8.360 nan 0.000 0.506 772 R N 0.844 121.355 120.500 0.018 0.000 2.066 772 R HA -0.110 4.227 4.340 -0.006 0.000 0.232 772 R C 2.541 178.846 176.300 0.007 0.000 1.131 772 R CA 1.474 57.584 56.100 0.017 0.000 0.955 772 R CB -0.720 29.589 30.300 0.015 0.000 0.851 772 R HN 0.340 nan 8.270 nan 0.000 0.432 773 L N -0.242 120.980 121.223 -0.003 0.000 2.042 773 L HA -0.129 4.208 4.340 -0.006 0.000 0.210 773 L C 2.007 178.857 176.870 -0.032 0.000 1.076 773 L CA 1.595 56.423 54.840 -0.019 0.000 0.749 773 L CB -0.598 41.447 42.059 -0.024 0.000 0.893 773 L HN 0.284 nan 8.230 nan 0.000 0.432 774 L N 0.273 121.484 121.223 -0.021 0.000 1.989 774 L HA -0.206 4.130 4.340 -0.006 0.000 0.211 774 L C 2.964 179.839 176.870 0.008 0.000 1.071 774 L CA 1.856 56.683 54.840 -0.021 0.000 0.749 774 L CB -1.076 40.991 42.059 0.014 0.000 0.890 774 L HN 0.465 nan 8.230 nan 0.000 0.431 775 R N -0.084 120.440 120.500 0.040 0.000 2.094 775 R HA -0.140 4.196 4.340 -0.006 0.000 0.239 775 R C 2.319 178.650 176.300 0.051 0.000 1.137 775 R CA 1.647 57.788 56.100 0.068 0.000 0.943 775 R CB -1.068 29.267 30.300 0.059 0.000 0.850 775 R HN 0.427 nan 8.270 nan 0.000 0.433 776 S N 1.264 116.975 115.700 0.019 0.000 2.372 776 S HA -0.169 4.297 4.470 -0.006 0.000 0.227 776 S C 2.095 176.689 174.600 -0.010 0.000 1.044 776 S CA 1.416 59.620 58.200 0.007 0.000 1.050 776 S CB -0.367 62.828 63.200 -0.007 0.000 0.901 776 S HN 0.239 nan 8.310 nan 0.000 0.447 777 I N 0.068 120.596 120.570 -0.070 0.000 2.065 777 I HA -0.313 3.854 4.170 -0.006 0.000 0.236 777 I C 2.005 178.036 176.117 -0.143 0.000 1.028 777 I CA 2.056 63.243 61.300 -0.187 0.000 1.299 777 I CB -0.429 37.353 38.000 -0.364 0.000 1.015 777 I HN 0.288 nan 8.210 nan 0.000 0.396 778 F N -0.465 119.491 119.950 0.011 0.000 2.387 778 F HA 0.194 4.717 4.527 -0.006 0.000 0.294 778 F C 1.180 176.985 175.800 0.008 0.000 1.093 778 F CA 0.316 58.322 58.000 0.010 0.000 1.420 778 F CB 0.517 39.525 39.000 0.014 0.000 1.086 778 F HN 0.134 nan 8.300 nan 0.000 0.531 779 G N 0.625 109.548 108.800 0.204 0.000 3.747 779 G HA2 0.119 4.076 3.960 -0.006 0.000 0.289 779 G HA3 0.119 4.076 3.960 -0.006 0.000 0.289 779 G C 0.149 175.096 174.900 0.077 0.000 3.650 779 G CA -0.411 44.757 45.100 0.114 0.000 0.560 779 G HN 0.278 nan 8.290 nan 0.000 0.267 780 E N 1.271 121.504 120.200 0.055 0.000 2.068 780 E HA -0.208 4.138 4.350 -0.006 0.000 0.207 780 E C 0.589 177.209 176.600 0.032 0.000 1.032 780 E CA 0.761 57.184 56.400 0.038 0.000 0.839 780 E CB -0.205 29.511 29.700 0.026 0.000 0.758 780 E HN 0.433 nan 8.360 nan 0.000 0.457 781 K N 1.675 122.090 120.400 0.025 0.000 2.402 781 K HA 0.305 4.621 4.320 -0.006 0.000 0.279 781 K C -0.659 175.945 176.600 0.007 0.000 1.082 781 K CA 0.281 56.577 56.287 0.014 0.000 1.080 781 K CB 0.606 33.113 32.500 0.011 0.000 0.899 781 K HN 0.328 nan 8.250 nan 0.000 0.469 782 A N 3.112 125.930 122.820 -0.004 0.000 2.605 782 A HA 0.297 4.614 4.320 -0.006 0.000 0.294 782 A C -0.905 176.649 177.584 -0.050 0.000 1.062 782 A CA -0.892 51.128 52.037 -0.028 0.000 0.682 782 A CB 1.110 20.104 19.000 -0.011 0.000 1.278 782 A HN 0.755 nan 8.150 nan 0.000 0.410 783 R N 1.521 121.964 120.500 -0.094 0.000 2.606 783 R HA 0.086 4.423 4.340 -0.006 0.000 0.276 783 R C -1.044 175.182 176.300 -0.124 0.000 1.416 783 R CA -0.194 55.834 56.100 -0.119 0.000 1.064 783 R CB -0.340 29.868 30.300 -0.153 0.000 1.117 783 R HN 0.568 nan 8.270 nan 0.000 0.543 784 D N 3.282 123.633 120.400 -0.082 0.000 2.598 784 D HA 0.033 4.670 4.640 -0.006 0.000 0.231 784 D C -0.453 175.767 176.300 -0.134 0.000 1.127 784 D CA 0.388 54.359 54.000 -0.049 0.000 1.126 784 D CB 0.308 41.108 40.800 -0.001 0.000 1.124 784 D HN 0.111 nan 8.370 nan 0.000 0.485 785 V N 1.039 120.856 119.914 -0.161 0.000 3.040 785 V HA 0.326 4.443 4.120 -0.006 0.000 0.312 785 V C -0.188 175.855 176.094 -0.085 0.000 1.115 785 V CA -0.938 61.205 62.300 -0.262 0.000 0.998 785 V CB 3.096 34.679 31.823 -0.401 0.000 1.042 785 V HN 0.025 nan 8.190 nan 0.000 0.433 786 K N 1.435 121.790 120.400 -0.076 0.000 2.098 786 K HA 0.417 4.733 4.320 -0.006 0.000 0.258 786 K C -1.145 175.457 176.600 0.004 0.000 0.973 786 K CA -0.573 55.716 56.287 0.004 0.000 0.898 786 K CB 1.106 33.614 32.500 0.013 0.000 1.057 786 K HN 0.681 nan 8.250 nan 0.000 0.447 787 D N 1.658 122.080 120.400 0.037 0.000 2.456 787 D HA 0.053 4.690 4.640 -0.006 0.000 0.219 787 D C -0.645 175.662 176.300 0.012 0.000 1.126 787 D CA -0.267 53.750 54.000 0.028 0.000 0.890 787 D CB 0.445 41.281 40.800 0.060 0.000 1.025 787 D HN 0.466 nan 8.370 nan 0.000 0.511 788 T N 0.114 114.672 114.554 0.007 0.000 3.350 788 T HA 0.380 4.727 4.350 -0.006 0.000 0.246 788 T C 0.043 174.746 174.700 0.004 0.000 1.284 788 T CA -0.720 61.384 62.100 0.007 0.000 1.329 788 T CB -0.182 68.695 68.868 0.015 0.000 1.033 788 T HN 0.041 nan 8.240 nan 0.000 0.632 789 S N 2.084 117.783 115.700 -0.001 0.000 2.562 789 S HA 0.476 4.943 4.470 -0.006 0.000 0.275 789 S C 0.093 174.687 174.600 -0.009 0.000 1.281 789 S CA -0.818 57.379 58.200 -0.005 0.000 1.045 789 S CB 0.820 64.013 63.200 -0.011 0.000 0.962 789 S HN 0.614 nan 8.310 nan 0.000 0.503 790 L N 5.284 126.503 121.223 -0.006 0.000 2.638 790 L HA 0.158 4.494 4.340 -0.006 0.000 0.273 790 L C 0.111 176.963 176.870 -0.029 0.000 1.147 790 L CA 0.637 55.475 54.840 -0.003 0.000 0.941 790 L CB -0.562 41.503 42.059 0.010 0.000 1.251 790 L HN 0.484 nan 8.230 nan 0.000 0.479 791 R N 3.736 124.219 120.500 -0.029 0.000 2.643 791 R HA 0.456 4.793 4.340 -0.006 0.000 0.272 791 R C -0.774 175.489 176.300 -0.062 0.000 0.995 791 R CA -1.071 54.997 56.100 -0.053 0.000 1.032 791 R CB 0.778 31.050 30.300 -0.046 0.000 1.126 791 R HN 0.350 nan 8.270 nan 0.000 0.505 792 V N 4.135 123.991 119.914 -0.098 0.000 2.409 792 V HA 0.052 4.169 4.120 -0.006 0.000 0.270 792 V C -1.845 174.231 176.094 -0.031 0.000 1.019 792 V CA -1.003 61.236 62.300 -0.102 0.000 1.066 792 V CB -0.185 31.569 31.823 -0.115 0.000 1.021 792 V HN 0.528 nan 8.190 nan 0.000 0.476 793 P HA 0.108 nan 4.420 nan 0.000 0.267 793 P C -2.376 174.884 177.300 -0.066 0.000 1.201 793 P CA -0.727 62.354 63.100 -0.032 0.000 0.775 793 P CB -0.147 31.570 31.700 0.028 0.000 0.854 794 P HA 0.093 nan 4.420 nan 0.000 0.271 794 P C 0.942 178.247 177.300 0.009 0.000 1.238 794 P CA 1.034 64.070 63.100 -0.106 0.000 0.794 794 P CB 0.046 31.609 31.700 -0.228 0.000 0.959 795 G N -0.862 107.987 108.800 0.083 0.000 3.298 795 G HA2 -0.128 3.828 3.960 -0.006 0.000 0.260 795 G HA3 -0.128 3.828 3.960 -0.006 0.000 0.260 795 G C -0.528 174.415 174.900 0.073 0.000 1.681 795 G CA -0.081 45.081 45.100 0.103 0.000 1.094 795 G HN 0.585 nan 8.290 nan 0.000 0.575 796 E N 0.007 120.256 120.200 0.082 0.000 2.437 796 E HA 0.633 4.980 4.350 -0.006 0.000 0.280 796 E C -0.258 176.402 176.600 0.100 0.000 1.044 796 E CA 0.285 56.730 56.400 0.074 0.000 0.826 796 E CB 1.308 31.048 29.700 0.068 0.000 1.358 796 E HN 1.529 nan 8.360 nan 0.000 0.459 797 G N -1.000 107.838 108.800 0.063 0.000 2.706 797 G HA2 0.607 4.563 3.960 -0.006 0.000 0.297 797 G HA3 0.607 4.563 3.960 -0.006 0.000 0.297 797 G C -0.332 174.585 174.900 0.029 0.000 1.403 797 G CA 0.023 45.148 45.100 0.042 0.000 0.954 797 G HN 0.443 nan 8.290 nan 0.000 0.500 798 G N -0.331 108.489 108.800 0.033 0.000 3.392 798 G HA2 0.549 4.505 3.960 -0.006 0.000 0.188 798 G HA3 0.549 4.505 3.960 -0.006 0.000 0.188 798 G C -0.459 174.439 174.900 -0.003 0.000 1.485 798 G CA -0.513 44.603 45.100 0.026 0.000 0.943 798 G HN 0.623 nan 8.290 nan 0.000 0.627 799 I N 1.813 122.382 120.570 -0.001 0.000 2.389 799 I HA 0.341 4.508 4.170 -0.006 0.000 0.288 799 I C 0.273 176.379 176.117 -0.018 0.000 0.999 799 I CA -0.923 60.365 61.300 -0.019 0.000 1.129 799 I CB 0.869 38.854 38.000 -0.025 0.000 1.288 799 I HN -0.000 nan 8.210 nan 0.000 0.444 800 V N 6.478 126.375 119.914 -0.029 0.000 2.928 800 V HA 0.004 4.120 4.120 -0.006 0.000 0.307 800 V C 1.244 177.328 176.094 -0.017 0.000 1.105 800 V CA 0.261 62.551 62.300 -0.016 0.000 1.223 800 V CB 1.075 32.882 31.823 -0.028 0.000 0.930 800 V HN 0.758 nan 8.190 nan 0.000 0.499 801 V N 0.789 120.703 119.914 0.001 0.000 3.392 801 V HA 0.549 4.665 4.120 -0.006 0.000 0.294 801 V C 0.186 176.248 176.094 -0.054 0.000 1.561 801 V CA 0.070 62.347 62.300 -0.038 0.000 1.056 801 V CB -0.115 31.677 31.823 -0.051 0.000 0.882 801 V HN 0.936 nan 8.190 nan 0.000 0.440 802 R N 0.546 121.035 120.500 -0.019 0.000 2.824 802 R HA 0.556 4.893 4.340 -0.006 0.000 0.267 802 R C -1.686 174.627 176.300 0.022 0.000 1.035 802 R CA 0.578 56.638 56.100 -0.067 0.000 0.887 802 R CB 1.776 31.943 30.300 -0.222 0.000 1.262 802 R HN 0.481 nan 8.270 nan 0.000 0.487 803 T N -0.609 113.943 114.554 -0.005 0.000 2.894 803 T HA 0.652 4.998 4.350 -0.006 0.000 0.309 803 T C -1.146 173.571 174.700 0.028 0.000 1.208 803 T CA -0.753 61.383 62.100 0.059 0.000 1.016 803 T CB 2.071 70.959 68.868 0.035 0.000 1.192 803 T HN 0.221 nan 8.240 nan 0.000 0.491 804 V N 1.175 121.131 119.914 0.071 0.000 2.686 804 V HA 0.717 4.834 4.120 -0.006 0.000 0.306 804 V C -0.445 175.676 176.094 0.044 0.000 1.065 804 V CA -0.900 61.427 62.300 0.045 0.000 0.894 804 V CB 2.057 33.920 31.823 0.066 0.000 1.004 804 V HN 0.982 nan 8.190 nan 0.000 0.424 805 R N 4.341 124.856 120.500 0.025 0.000 2.476 805 R HA 0.689 5.025 4.340 -0.006 0.000 0.305 805 R C -1.547 174.765 176.300 0.019 0.000 0.965 805 R CA -0.608 55.505 56.100 0.022 0.000 0.867 805 R CB 1.280 31.589 30.300 0.015 0.000 1.176 805 R HN 0.731 nan 8.270 nan 0.000 0.447 806 L N 6.405 127.641 121.223 0.021 0.000 2.445 806 L HA 0.430 4.766 4.340 -0.006 0.000 0.252 806 L C 0.138 177.018 176.870 0.017 0.000 1.105 806 L CA -0.928 53.923 54.840 0.018 0.000 0.943 806 L CB 0.572 42.641 42.059 0.017 0.000 1.277 806 L HN 0.614 nan 8.230 nan 0.000 0.465 807 R N 0.328 120.838 120.500 0.016 0.000 2.650 807 R HA 0.484 4.820 4.340 -0.006 0.000 0.232 807 R C 0.459 176.769 176.300 0.016 0.000 1.247 807 R CA -0.718 55.391 56.100 0.016 0.000 1.061 807 R CB 0.189 30.498 30.300 0.015 0.000 1.279 807 R HN 0.125 nan 8.270 nan 0.000 0.549 808 R N -0.654 119.855 120.500 0.016 0.000 2.944 808 R HA 0.143 4.479 4.340 -0.006 0.000 0.279 808 R C 0.631 176.942 176.300 0.017 0.000 1.048 808 R CA 1.118 57.228 56.100 0.016 0.000 1.196 808 R CB -0.594 29.715 30.300 0.015 0.000 1.134 808 R HN 0.990 nan 8.270 nan 0.000 0.525 809 G N 1.922 110.732 108.800 0.018 0.000 2.323 809 G HA2 -0.239 3.718 3.960 -0.006 0.000 0.292 809 G HA3 -0.239 3.718 3.960 -0.006 0.000 0.292 809 G C -0.466 174.449 174.900 0.024 0.000 1.040 809 G CA 0.301 45.413 45.100 0.020 0.000 0.942 809 G HN 0.586 nan 8.290 nan 0.000 0.506 810 D N 0.191 120.605 120.400 0.024 0.000 2.531 810 D HA 0.181 4.818 4.640 -0.006 0.000 0.239 810 D C 0.077 176.401 176.300 0.040 0.000 1.144 810 D CA -0.301 53.716 54.000 0.027 0.000 0.869 810 D CB 0.889 41.701 40.800 0.020 0.000 1.160 810 D HN 0.262 nan 8.370 nan 0.000 0.484 811 P HA -0.005 nan 4.420 nan 0.000 0.210 811 P C 0.721 178.088 177.300 0.111 0.000 1.189 811 P CA 0.971 64.116 63.100 0.075 0.000 0.920 811 P CB 0.394 32.144 31.700 0.083 0.000 0.782 812 G N -1.019 107.856 108.800 0.125 0.000 5.414 812 G HA2 0.431 4.387 3.960 -0.006 0.000 0.202 812 G HA3 0.431 4.387 3.960 -0.006 0.000 0.202 812 G C -0.492 174.381 174.900 -0.045 0.000 0.727 812 G CA -0.055 45.136 45.100 0.152 0.000 0.670 812 G HN 0.390 nan 8.290 nan 0.000 0.442 813 V N -1.955 117.936 119.914 -0.037 0.000 3.093 813 V HA 0.897 5.013 4.120 -0.006 0.000 0.320 813 V C -0.272 175.783 176.094 -0.065 0.000 1.093 813 V CA -1.227 61.024 62.300 -0.082 0.000 1.016 813 V CB 1.862 33.662 31.823 -0.038 0.000 1.096 813 V HN 0.411 nan 8.190 nan 0.000 0.452 814 E N 2.525 122.683 120.200 -0.069 0.000 2.267 814 E HA 0.466 4.813 4.350 -0.006 0.000 0.241 814 E C -0.581 176.005 176.600 -0.024 0.000 0.950 814 E CA -0.529 55.844 56.400 -0.045 0.000 0.776 814 E CB 1.284 30.950 29.700 -0.057 0.000 1.207 814 E HN 0.786 nan 8.360 nan 0.000 0.436 815 L N 2.776 123.991 121.223 -0.012 0.000 2.385 815 L HA 0.247 4.583 4.340 -0.006 0.000 0.281 815 L C -0.157 176.713 176.870 0.000 0.000 1.106 815 L CA -0.392 54.447 54.840 -0.003 0.000 0.856 815 L CB 0.403 42.464 42.059 0.003 0.000 1.186 815 L HN 0.317 nan 8.230 nan 0.000 0.453 816 K N 5.373 125.775 120.400 0.002 0.000 2.397 816 K HA 0.106 4.423 4.320 -0.006 0.000 0.265 816 K C -2.213 174.391 176.600 0.007 0.000 0.982 816 K CA -1.119 55.171 56.287 0.005 0.000 0.931 816 K CB -0.178 32.326 32.500 0.007 0.000 0.943 816 K HN 0.483 nan 8.250 nan 0.000 0.501 817 P HA -0.075 nan 4.420 nan 0.000 0.267 817 P C 0.659 177.964 177.300 0.008 0.000 1.200 817 P CA 0.860 63.964 63.100 0.007 0.000 0.772 817 P CB 0.669 32.373 31.700 0.006 0.000 0.855 818 G N 0.999 109.803 108.800 0.007 0.000 2.609 818 G HA2 -0.288 3.669 3.960 -0.006 0.000 0.235 818 G HA3 -0.288 3.669 3.960 -0.006 0.000 0.235 818 G C 0.178 175.085 174.900 0.012 0.000 1.177 818 G CA 0.172 45.277 45.100 0.008 0.000 0.707 818 G HN 0.556 nan 8.290 nan 0.000 0.513 819 V N 2.455 122.377 119.914 0.013 0.000 2.434 819 V HA 0.206 4.322 4.120 -0.006 0.000 0.281 819 V C 1.799 177.902 176.094 0.015 0.000 1.005 819 V CA 1.396 63.705 62.300 0.015 0.000 1.089 819 V CB 0.959 32.790 31.823 0.014 0.000 0.978 819 V HN 0.533 nan 8.190 nan 0.000 0.474 820 R N 3.170 123.681 120.500 0.019 0.000 2.062 820 R HA 0.065 4.401 4.340 -0.006 0.000 0.226 820 R C 0.801 177.113 176.300 0.019 0.000 1.125 820 R CA 1.139 57.251 56.100 0.019 0.000 0.966 820 R CB 0.368 30.682 30.300 0.025 0.000 0.861 820 R HN 0.866 nan 8.270 nan 0.000 0.433 821 E N -0.258 119.954 120.200 0.021 0.000 2.400 821 E HA 0.127 4.473 4.350 -0.006 0.000 0.285 821 E C -1.557 175.056 176.600 0.022 0.000 1.005 821 E CA -0.614 55.798 56.400 0.020 0.000 0.816 821 E CB 1.751 31.463 29.700 0.020 0.000 1.220 821 E HN 0.007 nan 8.360 nan 0.000 0.426 822 V N 0.030 119.957 119.914 0.022 0.000 2.850 822 V HA 0.836 4.952 4.120 -0.006 0.000 0.315 822 V C -0.569 175.543 176.094 0.030 0.000 1.064 822 V CA -0.551 61.764 62.300 0.025 0.000 0.979 822 V CB 1.631 33.469 31.823 0.024 0.000 1.039 822 V HN 0.404 nan 8.190 nan 0.000 0.452 823 V N 3.468 123.403 119.914 0.035 0.000 2.447 823 V HA 0.564 4.680 4.120 -0.006 0.000 0.292 823 V C -0.023 176.106 176.094 0.057 0.000 1.021 823 V CA -0.506 61.819 62.300 0.042 0.000 0.850 823 V CB 1.208 33.050 31.823 0.032 0.000 1.005 823 V HN 0.990 nan 8.190 nan 0.000 0.426 824 R N 2.685 123.237 120.500 0.086 0.000 2.474 824 R HA 0.867 5.204 4.340 -0.006 0.000 0.295 824 R C -1.396 175.006 176.300 0.169 0.000 0.980 824 R CA -0.493 55.679 56.100 0.120 0.000 0.934 824 R CB 2.080 32.497 30.300 0.196 0.000 1.101 824 R HN 0.544 nan 8.270 nan 0.000 0.469 825 V N 4.423 124.427 119.914 0.149 0.000 2.524 825 V HA 0.273 4.390 4.120 -0.006 0.000 0.297 825 V C -1.338 174.877 176.094 0.202 0.000 1.035 825 V CA -0.920 61.487 62.300 0.179 0.000 0.867 825 V CB 1.285 33.139 31.823 0.052 0.000 1.004 825 V HN 0.639 nan 8.190 nan 0.000 0.426 826 Y N 3.436 123.764 120.300 0.046 0.000 2.313 826 Y HA 0.620 5.167 4.550 -0.006 0.000 0.332 826 Y C 0.291 176.222 175.900 0.051 0.000 1.071 826 Y CA -0.745 57.393 58.100 0.064 0.000 1.169 826 Y CB 1.610 40.074 38.460 0.006 0.000 1.192 826 Y HN 0.390 nan 8.280 nan 0.000 0.487 827 V N 2.914 122.952 119.914 0.205 0.000 2.628 827 V HA 0.885 5.001 4.120 -0.006 0.000 0.306 827 V C -0.251 175.918 176.094 0.125 0.000 1.045 827 V CA -1.054 61.326 62.300 0.134 0.000 0.905 827 V CB 1.552 33.447 31.823 0.120 0.000 0.997 827 V HN 0.860 nan 8.190 nan 0.000 0.436 828 A N 4.213 127.082 122.820 0.082 0.000 2.401 828 A HA 0.937 5.253 4.320 -0.006 0.000 0.310 828 A C -0.917 176.713 177.584 0.077 0.000 1.075 828 A CA -0.630 51.453 52.037 0.077 0.000 0.746 828 A CB 1.972 21.004 19.000 0.053 0.000 1.277 828 A HN 0.797 nan 8.150 nan 0.000 0.425 829 Q N 1.391 121.255 119.800 0.107 0.000 2.345 829 Q HA 0.408 4.744 4.340 -0.006 0.000 0.275 829 Q C -1.665 174.397 176.000 0.102 0.000 1.063 829 Q CA -0.662 55.197 55.803 0.095 0.000 0.819 829 Q CB 1.532 30.334 28.738 0.106 0.000 1.356 829 Q HN 0.611 nan 8.270 nan 0.000 0.418 830 K N 2.313 122.756 120.400 0.071 0.000 2.292 830 K HA 0.290 4.607 4.320 -0.006 0.000 0.290 830 K C -0.353 176.281 176.600 0.055 0.000 1.083 830 K CA -0.408 55.920 56.287 0.068 0.000 0.918 830 K CB 0.802 33.332 32.500 0.050 0.000 1.089 830 K HN 0.300 nan 8.250 nan 0.000 0.473 831 R N 3.849 124.383 120.500 0.057 0.000 2.210 831 R HA 0.141 4.477 4.340 -0.006 0.000 0.338 831 R C -0.084 176.230 176.300 0.024 0.000 1.062 831 R CA -0.171 55.939 56.100 0.016 0.000 0.902 831 R CB 0.636 30.922 30.300 -0.023 0.000 1.050 831 R HN 0.423 nan 8.270 nan 0.000 0.461 832 K N 1.783 122.196 120.400 0.020 0.000 2.087 832 K HA 0.238 4.554 4.320 -0.006 0.000 0.255 832 K C 0.078 176.697 176.600 0.031 0.000 0.988 832 K CA -1.089 55.224 56.287 0.043 0.000 0.915 832 K CB 1.065 33.591 32.500 0.042 0.000 1.043 832 K HN 0.142 nan 8.250 nan 0.000 0.457 833 L N 3.202 124.466 121.223 0.068 0.000 2.562 833 L HA -0.053 4.284 4.340 -0.006 0.000 0.271 833 L C -0.328 176.545 176.870 0.005 0.000 1.167 833 L CA 1.002 55.866 54.840 0.040 0.000 0.917 833 L CB -0.434 41.666 42.059 0.069 0.000 1.187 833 L HN 0.634 nan 8.230 nan 0.000 0.482 834 Q N 3.371 123.163 119.800 -0.014 0.000 2.451 834 Q HA 0.519 4.855 4.340 -0.006 0.000 0.281 834 Q C -0.892 175.104 176.000 -0.007 0.000 1.099 834 Q CA -1.162 54.634 55.803 -0.011 0.000 0.806 834 Q CB 1.661 30.393 28.738 -0.009 0.000 1.419 834 Q HN 0.420 nan 8.270 nan 0.000 0.427 835 V N 1.774 121.683 119.914 -0.009 0.000 2.539 835 V HA 0.292 4.409 4.120 -0.006 0.000 0.300 835 V C 0.980 177.086 176.094 0.019 0.000 1.019 835 V CA 2.494 64.791 62.300 -0.004 0.000 1.160 835 V CB -0.286 31.532 31.823 -0.008 0.000 0.901 835 V HN 1.154 nan 8.190 nan 0.000 0.481 836 G N 4.211 113.026 108.800 0.024 0.000 2.278 836 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.210 836 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.210 836 G C 0.094 175.040 174.900 0.076 0.000 1.000 836 G CA 0.164 45.289 45.100 0.042 0.000 0.635 836 G HN 0.938 nan 8.290 nan 0.000 0.495 837 D N 1.831 122.286 120.400 0.092 0.000 2.362 837 D HA 0.497 5.133 4.640 -0.006 0.000 0.242 837 D C 0.590 176.925 176.300 0.058 0.000 1.132 837 D CA 0.083 54.174 54.000 0.152 0.000 0.907 837 D CB 0.573 41.408 40.800 0.060 0.000 1.195 837 D HN 0.600 nan 8.370 nan 0.000 0.429 838 K N 2.414 122.852 120.400 0.062 0.000 2.292 838 K HA 0.579 4.896 4.320 -0.006 0.000 0.257 838 K C -0.843 175.749 176.600 -0.012 0.000 0.940 838 K CA -0.865 55.424 56.287 0.004 0.000 0.811 838 K CB 1.354 33.851 32.500 -0.005 0.000 1.120 838 K HN 0.309 nan 8.250 nan 0.000 0.428 839 L N 1.399 122.590 121.223 -0.054 0.000 2.354 839 L HA 0.853 5.189 4.340 -0.006 0.000 0.269 839 L C -0.748 176.086 176.870 -0.060 0.000 1.005 839 L CA -1.137 53.653 54.840 -0.083 0.000 0.819 839 L CB 2.151 44.100 42.059 -0.183 0.000 1.311 839 L HN 0.949 nan 8.230 nan 0.000 0.423 840 A N 1.514 124.303 122.820 -0.052 0.000 2.488 840 A HA 0.460 4.776 4.320 -0.006 0.000 0.295 840 A C -0.937 176.626 177.584 -0.034 0.000 1.045 840 A CA -0.815 51.204 52.037 -0.031 0.000 0.703 840 A CB 1.179 20.173 19.000 -0.009 0.000 1.271 840 A HN 0.904 nan 8.150 nan 0.000 0.400 841 N N 1.100 119.801 118.700 0.002 0.000 2.327 841 N HA 0.260 4.997 4.740 -0.006 0.000 0.257 841 N C 0.345 175.894 175.510 0.065 0.000 1.281 841 N CA -0.751 52.329 53.050 0.050 0.000 0.942 841 N CB 0.766 39.345 38.487 0.154 0.000 1.199 841 N HN 0.617 nan 8.380 nan 0.000 0.532 842 R N -1.121 119.422 120.500 0.073 0.000 2.323 842 R HA -0.010 4.326 4.340 -0.006 0.000 0.198 842 R C 0.396 176.571 176.300 -0.209 0.000 0.988 842 R CA 0.548 56.600 56.100 -0.080 0.000 1.041 842 R CB -0.233 29.988 30.300 -0.132 0.000 0.926 842 R HN 0.639 nan 8.270 nan 0.000 0.476 843 H N -1.757 117.311 119.070 -0.004 0.000 2.551 843 H HA 0.235 4.788 4.556 -0.005 0.000 0.271 843 H C 1.313 176.639 175.328 -0.004 0.000 0.984 843 H CA 0.653 56.696 56.048 -0.007 0.000 1.164 843 H CB 1.112 30.875 29.762 0.002 0.000 1.437 843 H HN 0.349 nan 8.280 nan 0.000 0.550 844 G N 0.462 109.315 108.800 0.088 0.000 2.218 844 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.216 844 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.216 844 G C 0.283 175.208 174.900 0.042 0.000 0.994 844 G CA -0.182 44.948 45.100 0.051 0.000 0.637 844 G HN 0.400 nan 8.290 nan 0.000 0.505 845 N N 1.288 120.019 118.700 0.051 0.000 2.399 845 N HA 0.152 4.889 4.740 -0.006 0.000 0.284 845 N C -0.252 175.261 175.510 0.006 0.000 1.283 845 N CA 0.599 53.661 53.050 0.019 0.000 0.972 845 N CB 0.153 38.645 38.487 0.007 0.000 1.328 845 N HN 0.495 nan 8.380 nan 0.000 0.486 846 K N 2.546 122.946 120.400 0.000 0.000 2.389 846 K HA 0.460 4.776 4.320 -0.006 0.000 0.261 846 K C -0.426 176.167 176.600 -0.012 0.000 1.014 846 K CA -0.688 55.595 56.287 -0.006 0.000 0.920 846 K CB 0.621 33.122 32.500 0.001 0.000 1.149 846 K HN 0.585 nan 8.250 nan 0.000 0.444 847 G N 1.609 110.397 108.800 -0.021 0.000 2.569 847 G HA2 0.549 4.506 3.960 -0.006 0.000 0.300 847 G HA3 0.549 4.506 3.960 -0.006 0.000 0.300 847 G C -1.283 173.603 174.900 -0.023 0.000 1.269 847 G CA -0.489 44.599 45.100 -0.018 0.000 0.959 847 G HN 0.347 nan 8.290 nan 0.000 0.478 848 V N 0.115 120.023 119.914 -0.010 0.000 2.667 848 V HA 0.379 4.495 4.120 -0.006 0.000 0.308 848 V C 0.272 176.359 176.094 -0.012 0.000 1.048 848 V CA -0.728 61.566 62.300 -0.010 0.000 0.928 848 V CB 1.898 33.721 31.823 0.001 0.000 1.004 848 V HN 0.553 nan 8.190 nan 0.000 0.444 849 V N 3.601 123.500 119.914 -0.024 0.000 2.485 849 V HA 0.271 4.388 4.120 -0.006 0.000 0.287 849 V C 1.027 177.116 176.094 -0.008 0.000 1.022 849 V CA 0.930 63.209 62.300 -0.035 0.000 1.067 849 V CB 0.625 32.416 31.823 -0.054 0.000 0.967 849 V HN 1.097 nan 8.190 nan 0.000 0.479 850 A N 4.878 127.699 122.820 0.002 0.000 2.259 850 A HA 0.390 4.706 4.320 -0.006 0.000 0.213 850 A C 0.746 178.333 177.584 0.004 0.000 1.209 850 A CA 0.112 52.172 52.037 0.037 0.000 0.910 850 A CB 0.347 19.410 19.000 0.104 0.000 0.946 850 A HN 0.679 nan 8.150 nan 0.000 0.497 851 K N 0.743 121.105 120.400 -0.064 0.000 2.582 851 K HA 0.356 4.673 4.320 -0.006 0.000 0.259 851 K C -1.867 174.631 176.600 -0.170 0.000 0.973 851 K CA -0.563 55.631 56.287 -0.156 0.000 0.880 851 K CB 0.968 33.265 32.500 -0.339 0.000 1.310 851 K HN 0.054 nan 8.250 nan 0.000 0.443 852 I N 6.054 126.542 120.570 -0.137 0.000 2.301 852 I HA 0.180 4.347 4.170 -0.006 0.000 0.292 852 I C -0.028 176.008 176.117 -0.134 0.000 1.046 852 I CA -0.572 60.656 61.300 -0.121 0.000 1.282 852 I CB 0.503 38.457 38.000 -0.077 0.000 1.409 852 I HN 0.473 nan 8.210 nan 0.000 0.484 853 L N 8.797 129.929 121.223 -0.152 0.000 2.360 853 L HA 0.511 4.848 4.340 -0.006 0.000 0.271 853 L C -2.199 174.626 176.870 -0.075 0.000 1.057 853 L CA -1.952 52.811 54.840 -0.129 0.000 0.803 853 L CB 0.934 42.890 42.059 -0.173 0.000 1.207 853 L HN 0.227 nan 8.230 nan 0.000 0.445 854 P HA 0.079 nan 4.420 nan 0.000 0.280 854 P C 0.943 178.234 177.300 -0.014 0.000 1.244 854 P CA -0.283 62.803 63.100 -0.023 0.000 0.784 854 P CB 1.118 32.813 31.700 -0.009 0.000 0.913 855 V N 3.245 123.149 119.914 -0.016 0.000 2.660 855 V HA -0.288 3.828 4.120 -0.006 0.000 0.257 855 V C 1.748 177.841 176.094 -0.001 0.000 1.088 855 V CA 1.948 64.242 62.300 -0.010 0.000 1.106 855 V CB -1.073 30.742 31.823 -0.013 0.000 0.686 855 V HN 0.562 nan 8.190 nan 0.000 0.481 856 E N 0.873 121.072 120.200 -0.002 0.000 2.086 856 E HA -0.281 4.066 4.350 -0.006 0.000 0.205 856 E C 1.486 178.097 176.600 0.018 0.000 1.027 856 E CA 1.883 58.282 56.400 -0.001 0.000 0.830 856 E CB -0.223 29.481 29.700 0.007 0.000 0.751 856 E HN 0.933 nan 8.360 nan 0.000 0.456 857 D N -0.691 119.743 120.400 0.057 0.000 2.500 857 D HA 0.051 4.687 4.640 -0.006 0.000 0.217 857 D C 0.730 177.143 176.300 0.188 0.000 1.159 857 D CA -0.209 53.861 54.000 0.116 0.000 0.828 857 D CB -0.363 40.510 40.800 0.122 0.000 1.039 857 D HN 0.194 nan 8.370 nan 0.000 0.512 858 M N -0.508 119.175 119.600 0.139 0.000 2.228 858 M HA 0.519 4.996 4.480 -0.006 0.000 0.326 858 M C -2.363 174.068 176.300 0.218 0.000 1.122 858 M CA -1.511 53.885 55.300 0.159 0.000 1.161 858 M CB 0.229 32.821 32.600 -0.014 0.000 1.437 858 M HN -0.423 nan 8.290 nan 0.000 0.465 859 P HA -0.124 nan 4.420 nan 0.000 0.259 859 P C -1.412 176.019 177.300 0.218 0.000 1.155 859 P CA 0.949 64.178 63.100 0.214 0.000 0.759 859 P CB -0.147 31.653 31.700 0.166 0.000 0.753 860 H N 2.966 122.126 119.070 0.150 0.000 2.637 860 H HA 0.452 5.005 4.556 -0.005 0.000 0.363 860 H C -0.597 174.863 175.328 0.220 0.000 1.131 860 H CA -1.266 54.867 56.048 0.142 0.000 1.183 860 H CB 0.860 30.684 29.762 0.103 0.000 1.637 860 H HN 0.269 nan 8.280 nan 0.000 0.531 861 L N 2.731 124.090 121.223 0.227 0.000 2.475 861 L HA 0.183 4.519 4.340 -0.006 0.000 0.250 861 L C -1.414 175.660 176.870 0.340 0.000 1.224 861 L CA -1.560 53.432 54.840 0.252 0.000 0.821 861 L CB 0.669 42.865 42.059 0.229 0.000 1.141 861 L HN 0.375 nan 8.230 nan 0.000 0.494 862 P HA -0.159 nan 4.420 nan 0.000 0.214 862 P C -0.656 176.765 177.300 0.203 0.000 1.163 862 P CA 1.219 64.543 63.100 0.373 0.000 0.889 862 P CB -0.016 32.010 31.700 0.543 0.000 0.790 863 D N -1.069 119.526 120.400 0.325 0.000 2.343 863 D HA 0.053 4.689 4.640 -0.006 0.000 0.255 863 D C 1.655 178.088 176.300 0.222 0.000 1.187 863 D CA 0.466 54.616 54.000 0.250 0.000 0.875 863 D CB 0.570 41.594 40.800 0.374 0.000 1.136 863 D HN 0.034 nan 8.370 nan 0.000 0.469 864 G N 4.010 112.890 108.800 0.134 0.000 3.013 864 G HA2 -0.406 3.551 3.960 -0.006 0.000 0.294 864 G HA3 -0.406 3.551 3.960 -0.006 0.000 0.294 864 G C 0.933 175.917 174.900 0.139 0.000 1.131 864 G CA 1.772 46.933 45.100 0.101 0.000 0.916 864 G HN 0.777 nan 8.290 nan 0.000 0.700 865 T N 3.484 118.132 114.554 0.156 0.000 2.591 865 T HA 0.266 4.613 4.350 -0.006 0.000 0.245 865 T C -1.852 172.942 174.700 0.157 0.000 1.031 865 T CA -0.127 62.063 62.100 0.149 0.000 1.187 865 T CB 0.521 69.503 68.868 0.189 0.000 1.014 865 T HN 0.295 nan 8.240 nan 0.000 0.488 866 P HA 0.456 nan 4.420 nan 0.000 0.283 866 P C -0.269 177.064 177.300 0.055 0.000 1.271 866 P CA -0.876 62.297 63.100 0.121 0.000 0.841 866 P CB 0.765 32.516 31.700 0.084 0.000 1.122 867 V N -1.594 118.344 119.914 0.040 0.000 2.834 867 V HA 0.275 4.392 4.120 -0.006 0.000 0.301 867 V C 0.528 176.591 176.094 -0.052 0.000 1.066 867 V CA 0.095 62.384 62.300 -0.020 0.000 1.052 867 V CB 0.372 32.185 31.823 -0.016 0.000 1.021 867 V HN 0.381 nan 8.190 nan 0.000 0.480 868 D N 1.523 121.875 120.400 -0.082 0.000 2.197 868 D HA 0.119 4.756 4.640 -0.006 0.000 0.212 868 D C 0.495 176.727 176.300 -0.113 0.000 0.963 868 D CA 1.288 55.226 54.000 -0.104 0.000 0.864 868 D CB 0.897 41.621 40.800 -0.128 0.000 1.009 868 D HN 0.484 nan 8.370 nan 0.000 0.479 869 V N 0.593 120.444 119.914 -0.105 0.000 2.876 869 V HA 0.452 4.568 4.120 -0.006 0.000 0.312 869 V C -1.669 174.363 176.094 -0.103 0.000 1.085 869 V CA -0.787 61.442 62.300 -0.119 0.000 0.945 869 V CB 2.313 34.066 31.823 -0.116 0.000 1.017 869 V HN -0.164 nan 8.190 nan 0.000 0.428 870 I N 6.675 127.171 120.570 -0.123 0.000 2.382 870 I HA 0.493 4.659 4.170 -0.006 0.000 0.285 870 I C -0.850 175.236 176.117 -0.052 0.000 1.007 870 I CA -0.194 61.053 61.300 -0.088 0.000 1.142 870 I CB 1.481 39.392 38.000 -0.148 0.000 1.289 870 I HN 0.353 nan 8.210 nan 0.000 0.453 871 L N 6.531 127.736 121.223 -0.030 0.000 2.272 871 L HA 0.401 4.738 4.340 -0.006 0.000 0.289 871 L C 0.560 177.429 176.870 -0.003 0.000 1.032 871 L CA -0.198 54.628 54.840 -0.023 0.000 0.810 871 L CB 0.697 42.733 42.059 -0.038 0.000 1.205 871 L HN 0.534 nan 8.230 nan 0.000 0.422 872 N N 4.372 123.076 118.700 0.007 0.000 2.441 872 N HA 0.052 4.789 4.740 -0.006 0.000 0.251 872 N C -1.935 173.563 175.510 -0.019 0.000 1.242 872 N CA -0.746 52.310 53.050 0.009 0.000 0.898 872 N CB 1.591 40.078 38.487 0.000 0.000 1.100 872 N HN 0.337 nan 8.380 nan 0.000 0.443 873 P HA 0.139 nan 4.420 nan 0.000 0.224 873 P C 1.260 178.532 177.300 -0.046 0.000 1.159 873 P CA 0.513 63.594 63.100 -0.032 0.000 0.824 873 P CB 0.312 31.998 31.700 -0.023 0.000 0.833 874 L N -0.943 120.246 121.223 -0.057 0.000 2.450 874 L HA -0.081 4.255 4.340 -0.006 0.000 0.225 874 L C 1.946 178.766 176.870 -0.083 0.000 1.145 874 L CA 1.309 56.103 54.840 -0.077 0.000 0.801 874 L CB -1.148 40.844 42.059 -0.113 0.000 0.924 874 L HN 0.091 nan 8.230 nan 0.000 0.447 875 G N -1.396 107.359 108.800 -0.075 0.000 3.233 875 G HA2 0.233 4.189 3.960 -0.006 0.000 0.227 875 G HA3 0.233 4.189 3.960 -0.006 0.000 0.227 875 G C 1.155 176.028 174.900 -0.046 0.000 1.175 875 G CA 0.017 45.078 45.100 -0.066 0.000 0.781 875 G HN 0.205 nan 8.290 nan 0.000 0.542 876 V N 0.670 120.558 119.914 -0.044 0.000 3.359 876 V HA 0.090 4.206 4.120 -0.006 0.000 0.245 876 V C -0.163 175.915 176.094 -0.026 0.000 1.247 876 V CA 0.506 62.785 62.300 -0.036 0.000 1.145 876 V CB 0.578 32.373 31.823 -0.047 0.000 0.906 876 V HN 0.116 nan 8.190 nan 0.000 0.464 877 P HA -0.154 nan 4.420 nan 0.000 0.213 877 P C 1.991 179.284 177.300 -0.012 0.000 1.170 877 P CA 2.083 65.172 63.100 -0.018 0.000 0.893 877 P CB -0.016 31.672 31.700 -0.021 0.000 0.784 878 S N -0.142 115.548 115.700 -0.018 0.000 2.392 878 S HA -0.186 4.280 4.470 -0.006 0.000 0.225 878 S C 1.171 175.770 174.600 -0.002 0.000 1.041 878 S CA 1.094 59.286 58.200 -0.012 0.000 1.100 878 S CB -0.803 62.384 63.200 -0.022 0.000 1.029 878 S HN -0.022 nan 8.310 nan 0.000 0.424 879 R N 0.716 121.214 120.500 -0.003 0.000 2.734 879 R HA 0.265 4.602 4.340 -0.006 0.000 0.266 879 R C -0.135 176.174 176.300 0.016 0.000 1.044 879 R CA 0.732 56.838 56.100 0.010 0.000 1.128 879 R CB 0.029 30.335 30.300 0.009 0.000 1.010 879 R HN 0.489 nan 8.270 nan 0.000 0.461 880 M N 3.139 122.757 119.600 0.030 0.000 2.808 880 M HA 0.225 4.701 4.480 -0.006 0.000 0.225 880 M C -0.563 175.771 176.300 0.057 0.000 1.103 880 M CA 0.085 55.408 55.300 0.038 0.000 0.982 880 M CB 0.119 32.745 32.600 0.042 0.000 1.314 880 M HN 0.592 nan 8.290 nan 0.000 0.505 881 N N 1.063 119.793 118.700 0.050 0.000 2.844 881 N HA 0.295 5.031 4.740 -0.006 0.000 0.268 881 N C 0.146 175.680 175.510 0.039 0.000 1.574 881 N CA -0.470 52.626 53.050 0.077 0.000 0.838 881 N CB 0.712 39.255 38.487 0.093 0.000 1.177 881 N HN 0.455 nan 8.380 nan 0.000 0.495 882 L N 0.517 121.769 121.223 0.049 0.000 2.362 882 L HA 0.021 4.358 4.340 -0.006 0.000 0.219 882 L C 2.574 179.419 176.870 -0.041 0.000 1.134 882 L CA 0.999 55.831 54.840 -0.013 0.000 0.807 882 L CB -0.320 41.739 42.059 0.001 0.000 0.927 882 L HN 0.670 nan 8.230 nan 0.000 0.447 883 G N 0.812 109.668 108.800 0.092 0.000 2.547 883 G HA2 -0.353 3.604 3.960 -0.006 0.000 0.221 883 G HA3 -0.353 3.604 3.960 -0.006 0.000 0.221 883 G C 1.513 176.305 174.900 -0.179 0.000 1.140 883 G CA 1.123 46.361 45.100 0.229 0.000 0.760 883 G HN 0.639 nan 8.290 nan 0.000 0.583 884 Q N -0.223 119.135 119.800 -0.736 0.000 2.119 884 Q HA -0.050 4.287 4.340 -0.006 0.000 0.201 884 Q C 2.377 178.163 176.000 -0.356 0.000 0.972 884 Q CA 1.252 56.523 55.803 -0.887 0.000 0.847 884 Q CB -0.339 28.039 28.738 -0.600 0.000 0.903 884 Q HN 0.411 nan 8.270 nan 0.000 0.433 885 I N 1.058 121.454 120.570 -0.289 0.000 2.315 885 I HA -0.178 3.988 4.170 -0.006 0.000 0.248 885 I C 2.375 178.240 176.117 -0.419 0.000 1.117 885 I CA 0.890 61.973 61.300 -0.360 0.000 1.404 885 I CB -1.077 36.741 38.000 -0.303 0.000 1.071 885 I HN 0.277 nan 8.210 nan 0.000 0.419 886 L N 0.447 121.538 121.223 -0.220 0.000 2.201 886 L HA -0.150 4.187 4.340 -0.006 0.000 0.212 886 L C 2.609 179.540 176.870 0.101 0.000 1.105 886 L CA 1.148 55.867 54.840 -0.202 0.000 0.775 886 L CB -0.113 41.691 42.059 -0.426 0.000 0.913 886 L HN 0.260 nan 8.230 nan 0.000 0.440 887 E N -0.804 119.585 120.200 0.315 0.000 2.086 887 E HA -0.150 4.196 4.350 -0.006 0.000 0.190 887 E C 1.866 178.581 176.600 0.191 0.000 0.975 887 E CA 1.536 58.196 56.400 0.433 0.000 0.813 887 E CB 0.115 29.960 29.700 0.242 0.000 0.768 887 E HN 0.411 nan 8.360 nan 0.000 0.457 888 T N 0.284 114.843 114.554 0.009 0.000 2.665 888 T HA -0.179 4.168 4.350 -0.006 0.000 0.268 888 T C 1.610 176.351 174.700 0.068 0.000 1.035 888 T CA 1.828 63.916 62.100 -0.020 0.000 1.151 888 T CB -0.577 68.193 68.868 -0.164 0.000 0.862 888 T HN 0.424 nan 8.240 nan 0.000 0.438 889 H N 0.054 119.129 119.070 0.008 0.000 2.270 889 H HA -0.026 4.526 4.556 -0.007 0.000 0.299 889 H C 2.330 177.682 175.328 0.040 0.000 1.077 889 H CA 1.096 57.123 56.048 -0.035 0.000 1.294 889 H CB -0.264 29.440 29.762 -0.097 0.000 1.371 889 H HN 0.069 nan 8.280 nan 0.000 0.491 890 L N 0.973 122.337 121.223 0.235 0.000 2.081 890 L HA -0.123 4.213 4.340 -0.006 0.000 0.212 890 L C 2.492 179.604 176.870 0.404 0.000 1.080 890 L CA 1.882 56.881 54.840 0.266 0.000 0.754 890 L CB -0.956 41.294 42.059 0.318 0.000 0.893 890 L HN 0.331 nan 8.230 nan 0.000 0.433 891 G N -0.602 108.402 108.800 0.341 0.000 2.446 891 G HA2 -0.320 3.636 3.960 -0.006 0.000 0.217 891 G HA3 -0.320 3.636 3.960 -0.006 0.000 0.217 891 G C 1.590 176.683 174.900 0.322 0.000 1.168 891 G CA 0.922 46.210 45.100 0.313 0.000 0.771 891 G HN 0.427 nan 8.290 nan 0.000 0.551 892 L N 1.387 122.766 121.223 0.259 0.000 2.081 892 L HA -0.025 4.312 4.340 -0.006 0.000 0.212 892 L C 2.970 180.133 176.870 0.489 0.000 1.080 892 L CA 2.211 57.224 54.840 0.289 0.000 0.754 892 L CB -0.612 41.501 42.059 0.090 0.000 0.893 892 L HN 0.259 nan 8.230 nan 0.000 0.433 893 A N -0.711 122.369 122.820 0.434 0.000 1.840 893 A HA 0.022 4.338 4.320 -0.006 0.000 0.214 893 A C 2.369 180.298 177.584 0.576 0.000 1.198 893 A CA 1.231 53.576 52.037 0.514 0.000 0.608 893 A CB -1.618 17.626 19.000 0.407 0.000 0.839 893 A HN 0.484 nan 8.150 nan 0.000 0.443 894 G N -1.846 107.306 108.800 0.587 0.000 2.485 894 G HA2 -0.299 3.657 3.960 -0.006 0.000 0.221 894 G HA3 -0.299 3.657 3.960 -0.006 0.000 0.221 894 G C 1.444 176.510 174.900 0.277 0.000 1.115 894 G CA 1.387 46.686 45.100 0.332 0.000 0.751 894 G HN 0.542 nan 8.290 nan 0.000 0.567 895 Y N 0.640 121.067 120.300 0.212 0.000 2.092 895 Y HA 0.019 4.566 4.550 -0.005 0.000 0.282 895 Y C 2.290 178.191 175.900 0.002 0.000 1.126 895 Y CA 1.444 59.575 58.100 0.052 0.000 1.111 895 Y CB -0.417 38.036 38.460 -0.011 0.000 0.987 895 Y HN 0.165 nan 8.280 nan 0.000 0.489 896 F N -1.268 118.873 119.950 0.317 0.000 2.661 896 F HA -0.032 4.491 4.527 -0.006 0.000 0.298 896 F C 1.757 177.651 175.800 0.156 0.000 1.137 896 F CA 0.456 58.575 58.000 0.198 0.000 1.454 896 F CB -0.352 38.828 39.000 0.300 0.000 1.103 896 F HN 0.075 nan 8.300 nan 0.000 0.577 897 L N -0.274 121.168 121.223 0.366 0.000 2.567 897 L HA 0.345 4.682 4.340 -0.006 0.000 0.225 897 L C 1.459 178.422 176.870 0.154 0.000 1.119 897 L CA 0.294 55.298 54.840 0.273 0.000 0.871 897 L CB -0.801 41.468 42.059 0.350 0.000 1.036 897 L HN 0.151 nan 8.230 nan 0.000 0.459 898 G N 0.951 109.801 108.800 0.083 0.000 2.386 898 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.295 898 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.295 898 G C -0.048 174.847 174.900 -0.009 0.000 0.979 898 G CA 0.867 45.964 45.100 -0.004 0.000 1.193 898 G HN 0.579 nan 8.290 nan 0.000 0.508 899 Q N -1.157 118.607 119.800 -0.060 0.000 2.472 899 Q HA 0.703 5.039 4.340 -0.006 0.000 0.281 899 Q C -0.473 175.226 176.000 -0.501 0.000 0.997 899 Q CA -1.453 54.245 55.803 -0.174 0.000 0.828 899 Q CB 1.502 30.205 28.738 -0.057 0.000 1.443 899 Q HN 0.337 nan 8.270 nan 0.000 0.390 900 R N 1.109 121.343 120.500 -0.444 0.000 2.604 900 R HA 0.591 4.928 4.340 -0.006 0.000 0.287 900 R C -1.104 174.898 176.300 -0.496 0.000 0.970 900 R CA -0.586 55.208 56.100 -0.511 0.000 0.946 900 R CB 0.714 30.891 30.300 -0.204 0.000 1.127 900 R HN 0.738 nan 8.270 nan 0.000 0.473 901 Y N 0.377 120.717 120.300 0.067 0.000 2.650 901 Y HA 0.637 5.183 4.550 -0.006 0.000 0.331 901 Y C 0.404 176.345 175.900 0.068 0.000 1.082 901 Y CA -1.331 56.813 58.100 0.074 0.000 1.171 901 Y CB 1.956 40.557 38.460 0.234 0.000 1.326 901 Y HN 0.290 nan 8.280 nan 0.000 0.513 902 I N 1.349 122.092 120.570 0.288 0.000 2.468 902 I HA 0.212 4.379 4.170 -0.006 0.000 0.284 902 I C -0.906 175.478 176.117 0.445 0.000 1.038 902 I CA -0.358 61.069 61.300 0.211 0.000 1.083 902 I CB 1.769 39.801 38.000 0.053 0.000 1.223 902 I HN 0.492 nan 8.210 nan 0.000 0.443 903 S N 8.134 124.085 115.700 0.418 0.000 2.601 903 S HA 0.543 5.010 4.470 -0.006 0.000 0.312 903 S C -2.547 172.195 174.600 0.237 0.000 1.107 903 S CA -1.519 56.952 58.200 0.451 0.000 1.129 903 S CB 0.749 64.277 63.200 0.547 0.000 0.982 903 S HN 0.186 nan 8.310 nan 0.000 0.469 904 P HA 0.058 nan 4.420 nan 0.000 0.268 904 P C 1.486 178.831 177.300 0.075 0.000 1.208 904 P CA -0.548 62.626 63.100 0.123 0.000 0.777 904 P CB 0.363 32.152 31.700 0.150 0.000 0.875 905 I N 0.740 121.302 120.570 -0.013 0.000 2.421 905 I HA -0.319 3.847 4.170 -0.006 0.000 0.218 905 I C 1.899 177.836 176.117 -0.301 0.000 0.949 905 I CA 2.382 63.557 61.300 -0.208 0.000 1.269 905 I CB -1.564 36.335 38.000 -0.168 0.000 0.974 905 I HN 0.397 nan 8.210 nan 0.000 0.373 906 F N -0.560 119.456 119.950 0.109 0.000 2.731 906 F HA 0.092 4.615 4.527 -0.006 0.000 0.298 906 F C 0.828 176.677 175.800 0.082 0.000 1.106 906 F CA -0.050 58.004 58.000 0.090 0.000 1.329 906 F CB 0.189 39.250 39.000 0.102 0.000 1.100 906 F HN 0.096 nan 8.300 nan 0.000 0.592 907 D N 0.541 121.085 120.400 0.241 0.000 2.683 907 D HA 0.380 5.017 4.640 -0.006 0.000 0.309 907 D C 0.186 176.585 176.300 0.166 0.000 1.238 907 D CA 0.061 54.172 54.000 0.185 0.000 0.936 907 D CB -0.062 40.845 40.800 0.177 0.000 1.001 907 D HN 0.209 nan 8.370 nan 0.000 0.505 908 G N -0.101 108.773 108.800 0.124 0.000 3.243 908 G HA2 0.646 4.603 3.960 -0.006 0.000 0.248 908 G HA3 0.646 4.603 3.960 -0.006 0.000 0.248 908 G C -0.366 174.399 174.900 -0.225 0.000 1.267 908 G CA -0.276 44.874 45.100 0.083 0.000 0.906 908 G HN 0.408 nan 8.290 nan 0.000 0.592 909 A N -0.759 121.579 122.820 -0.804 0.000 2.577 909 A HA 0.511 4.828 4.320 -0.006 0.000 0.233 909 A C 0.087 177.312 177.584 -0.598 0.000 1.076 909 A CA 0.814 52.012 52.037 -1.398 0.000 0.767 909 A CB 0.043 18.116 19.000 -1.546 0.000 1.017 909 A HN 0.521 nan 8.150 nan 0.000 0.511 910 K N -0.340 119.785 120.400 -0.458 0.000 2.464 910 K HA 0.312 4.629 4.320 -0.006 0.000 0.253 910 K C 0.700 177.168 176.600 -0.220 0.000 0.933 910 K CA -0.408 55.731 56.287 -0.247 0.000 0.801 910 K CB 1.851 34.277 32.500 -0.124 0.000 1.271 910 K HN 0.800 nan 8.250 nan 0.000 0.430 911 E N 2.002 122.090 120.200 -0.187 0.000 2.149 911 E HA -0.254 4.092 4.350 -0.006 0.000 0.215 911 E C -1.097 175.432 176.600 -0.117 0.000 1.055 911 E CA 2.298 58.603 56.400 -0.159 0.000 0.870 911 E CB -0.280 29.350 29.700 -0.116 0.000 0.764 911 E HN 0.380 nan 8.360 nan 0.000 0.463 912 P HA -0.150 nan 4.420 nan 0.000 0.216 912 P C 0.587 177.862 177.300 -0.042 0.000 1.153 912 P CA 1.479 64.548 63.100 -0.052 0.000 0.848 912 P CB -0.016 31.666 31.700 -0.031 0.000 0.787 913 E N -0.853 119.319 120.200 -0.048 0.000 2.077 913 E HA -0.170 4.177 4.350 -0.006 0.000 0.193 913 E C 1.877 178.460 176.600 -0.028 0.000 0.989 913 E CA 1.004 57.398 56.400 -0.009 0.000 0.800 913 E CB -0.609 29.096 29.700 0.008 0.000 0.746 913 E HN 0.197 nan 8.360 nan 0.000 0.452 914 I N 1.561 122.071 120.570 -0.099 0.000 2.142 914 I HA -0.261 3.905 4.170 -0.006 0.000 0.240 914 I C 2.133 178.215 176.117 -0.058 0.000 1.078 914 I CA 1.316 62.556 61.300 -0.099 0.000 1.343 914 I CB -0.270 37.637 38.000 -0.156 0.000 1.046 914 I HN -0.098 nan 8.210 nan 0.000 0.405 915 K N 0.345 120.702 120.400 -0.072 0.000 2.160 915 K HA -0.261 4.055 4.320 -0.006 0.000 0.206 915 K C 1.980 178.582 176.600 0.003 0.000 1.047 915 K CA 1.457 57.711 56.287 -0.055 0.000 0.930 915 K CB -0.582 31.881 32.500 -0.063 0.000 0.720 915 K HN 0.550 nan 8.250 nan 0.000 0.450 916 E N 0.691 120.899 120.200 0.013 0.000 2.015 916 E HA -0.159 4.188 4.350 -0.006 0.000 0.191 916 E C 2.117 178.765 176.600 0.081 0.000 0.991 916 E CA 0.845 57.272 56.400 0.045 0.000 0.802 916 E CB -0.052 29.673 29.700 0.042 0.000 0.759 916 E HN 0.082 nan 8.360 nan 0.000 0.447 917 L N 0.607 121.874 121.223 0.073 0.000 2.079 917 L HA -0.224 4.113 4.340 -0.006 0.000 0.210 917 L C 2.497 179.485 176.870 0.197 0.000 1.081 917 L CA 0.885 55.793 54.840 0.114 0.000 0.752 917 L CB -0.372 41.716 42.059 0.048 0.000 0.896 917 L HN 0.228 nan 8.230 nan 0.000 0.433 918 L N -0.801 120.530 121.223 0.180 0.000 2.046 918 L HA -0.196 4.140 4.340 -0.006 0.000 0.208 918 L C 2.656 179.780 176.870 0.423 0.000 1.077 918 L CA 1.902 56.933 54.840 0.317 0.000 0.747 918 L CB -1.099 41.029 42.059 0.114 0.000 0.896 918 L HN 0.235 nan 8.230 nan 0.000 0.432 919 A N -1.193 121.774 122.820 0.245 0.000 1.940 919 A HA -0.303 4.014 4.320 -0.006 0.000 0.219 919 A C 2.284 179.998 177.584 0.217 0.000 1.176 919 A CA 1.921 54.082 52.037 0.208 0.000 0.631 919 A CB -0.547 18.525 19.000 0.120 0.000 0.814 919 A HN 0.450 nan 8.150 nan 0.000 0.446 920 Q N -0.307 119.614 119.800 0.202 0.000 2.079 920 Q HA 0.029 4.365 4.340 -0.006 0.000 0.200 920 Q C 2.070 178.191 176.000 0.202 0.000 0.974 920 Q CA 1.984 57.895 55.803 0.180 0.000 0.840 920 Q CB -0.581 28.260 28.738 0.171 0.000 0.898 920 Q HN 0.552 nan 8.270 nan 0.000 0.430 921 A N -0.296 122.695 122.820 0.284 0.000 1.877 921 A HA -0.166 4.150 4.320 -0.006 0.000 0.216 921 A C 1.959 179.556 177.584 0.022 0.000 1.186 921 A CA 1.404 53.617 52.037 0.293 0.000 0.620 921 A CB -1.083 18.251 19.000 0.556 0.000 0.822 921 A HN 0.559 nan 8.150 nan 0.000 0.443 922 F N 1.044 120.818 119.950 -0.292 0.000 2.250 922 F HA -0.166 4.357 4.527 -0.006 0.000 0.301 922 F C 2.125 177.798 175.800 -0.212 0.000 1.077 922 F CA 1.863 59.503 58.000 -0.600 0.000 1.348 922 F CB 0.007 38.712 39.000 -0.491 0.000 1.040 922 F HN 0.240 nan 8.300 nan 0.000 0.509 923 E N -0.017 120.138 120.200 -0.076 0.000 2.072 923 E HA -0.116 4.231 4.350 -0.006 0.000 0.190 923 E C 2.553 179.085 176.600 -0.114 0.000 0.982 923 E CA 1.413 57.754 56.400 -0.100 0.000 0.803 923 E CB -0.865 28.848 29.700 0.021 0.000 0.755 923 E HN 0.328 nan 8.360 nan 0.000 0.453 924 V N 1.195 121.101 119.914 -0.013 0.000 2.237 924 V HA -0.270 3.847 4.120 -0.006 0.000 0.245 924 V C 2.325 178.454 176.094 0.059 0.000 1.046 924 V CA 2.007 64.353 62.300 0.077 0.000 1.007 924 V CB -0.917 31.047 31.823 0.235 0.000 0.638 924 V HN 0.185 nan 8.190 nan 0.000 0.445 925 Y N 0.294 120.467 120.300 -0.212 0.000 2.097 925 Y HA -0.261 4.285 4.550 -0.007 0.000 0.282 925 Y C 2.231 177.984 175.900 -0.246 0.000 1.152 925 Y CA 1.792 59.704 58.100 -0.313 0.000 1.136 925 Y CB -0.588 37.284 38.460 -0.980 0.000 0.975 925 Y HN 0.208 nan 8.280 nan 0.000 0.498 926 F N 0.335 119.640 119.950 -1.074 0.000 2.530 926 F HA 0.212 4.736 4.527 -0.005 0.000 0.292 926 F C 2.365 177.783 175.800 -0.635 0.000 1.109 926 F CA 0.819 58.120 58.000 -1.165 0.000 1.450 926 F CB -0.657 37.244 39.000 -1.833 0.000 1.114 926 F HN 0.099 nan 8.300 nan 0.000 0.560 927 G N 0.175 108.735 108.800 -0.400 0.000 2.480 927 G HA2 -0.341 3.616 3.960 -0.006 0.000 0.216 927 G HA3 -0.341 3.616 3.960 -0.006 0.000 0.216 927 G C 1.735 176.480 174.900 -0.257 0.000 1.200 927 G CA 0.999 45.942 45.100 -0.262 0.000 0.782 927 G HN 0.160 nan 8.290 nan 0.000 0.554 928 K N 0.276 120.561 120.400 -0.191 0.000 2.160 928 K HA -0.024 4.292 4.320 -0.006 0.000 0.206 928 K C 2.667 179.151 176.600 -0.193 0.000 1.047 928 K CA 0.770 56.975 56.287 -0.135 0.000 0.930 928 K CB -0.108 32.370 32.500 -0.038 0.000 0.720 928 K HN 0.101 nan 8.250 nan 0.000 0.450 929 R N 0.265 120.570 120.500 -0.326 0.000 2.120 929 R HA -0.080 4.257 4.340 -0.006 0.000 0.234 929 R C 1.995 178.065 176.300 -0.383 0.000 1.123 929 R CA 1.296 57.184 56.100 -0.352 0.000 0.975 929 R CB -0.192 29.667 30.300 -0.734 0.000 0.866 929 R HN 0.270 nan 8.270 nan 0.000 0.446 930 K N -0.639 119.477 120.400 -0.474 0.000 2.076 930 K HA -0.013 4.304 4.320 -0.006 0.000 0.204 930 K C 2.134 178.575 176.600 -0.264 0.000 1.051 930 K CA 1.201 57.276 56.287 -0.354 0.000 0.949 930 K CB -0.147 32.177 32.500 -0.292 0.000 0.726 930 K HN 0.233 nan 8.250 nan 0.000 0.443 931 G N 1.184 109.843 108.800 -0.235 0.000 2.408 931 G HA2 -0.209 3.748 3.960 -0.006 0.000 0.215 931 G HA3 -0.209 3.748 3.960 -0.006 0.000 0.215 931 G C 1.082 175.831 174.900 -0.253 0.000 1.156 931 G CA 0.309 45.290 45.100 -0.198 0.000 0.793 931 G HN 0.259 nan 8.290 nan 0.000 0.535 932 E N -0.329 119.697 120.200 -0.290 0.000 2.331 932 E HA 0.133 4.480 4.350 -0.006 0.000 0.199 932 E C 1.854 177.983 176.600 -0.784 0.000 1.008 932 E CA 0.541 56.709 56.400 -0.387 0.000 0.843 932 E CB -0.043 29.530 29.700 -0.211 0.000 0.761 932 E HN 0.495 nan 8.360 nan 0.000 0.507 933 G N -0.494 107.824 108.800 -0.802 0.000 2.273 933 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.162 933 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.162 933 G C -0.186 174.276 174.900 -0.730 0.000 1.006 933 G CA -0.219 44.395 45.100 -0.811 0.000 0.704 933 G HN 0.153 nan 8.290 nan 0.000 0.487 934 F N -0.315 119.562 119.950 -0.122 0.000 2.620 934 F HA 0.901 5.425 4.527 -0.005 0.000 0.320 934 F C 0.942 176.645 175.800 -0.161 0.000 1.069 934 F CA -0.944 56.991 58.000 -0.108 0.000 0.953 934 F CB 0.541 39.495 39.000 -0.076 0.000 1.322 934 F HN 0.215 nan 8.300 nan 0.000 0.479 935 G N 0.029 108.910 108.800 0.136 0.000 3.441 935 G HA2 0.571 4.528 3.960 -0.006 0.000 0.195 935 G HA3 0.571 4.528 3.960 -0.006 0.000 0.195 935 G C -0.676 174.304 174.900 0.134 0.000 1.633 935 G CA -0.012 45.127 45.100 0.065 0.000 0.895 935 G HN 0.898 nan 8.290 nan 0.000 0.654 936 V N -0.763 119.264 119.914 0.188 0.000 2.630 936 V HA 0.604 4.721 4.120 -0.006 0.000 0.305 936 V C -0.916 175.276 176.094 0.164 0.000 1.046 936 V CA -1.022 61.413 62.300 0.226 0.000 0.934 936 V CB 1.455 33.417 31.823 0.233 0.000 1.003 936 V HN 0.392 nan 8.190 nan 0.000 0.451 937 D N 1.982 122.492 120.400 0.183 0.000 2.398 937 D HA 0.299 4.935 4.640 -0.006 0.000 0.247 937 D C 0.923 177.304 176.300 0.135 0.000 1.227 937 D CA -0.304 53.795 54.000 0.165 0.000 0.980 937 D CB 0.847 41.804 40.800 0.260 0.000 1.106 937 D HN 0.651 nan 8.370 nan 0.000 0.493 938 K N -0.055 120.416 120.400 0.119 0.000 2.217 938 K HA -0.034 4.282 4.320 -0.006 0.000 0.202 938 K C 1.753 178.401 176.600 0.080 0.000 1.051 938 K CA 0.585 56.925 56.287 0.088 0.000 0.952 938 K CB 0.269 32.815 32.500 0.076 0.000 0.736 938 K HN 0.205 nan 8.250 nan 0.000 0.453 939 R N 0.629 121.196 120.500 0.111 0.000 2.075 939 R HA -0.087 4.249 4.340 -0.006 0.000 0.226 939 R C 1.962 178.257 176.300 -0.009 0.000 1.114 939 R CA 1.058 57.188 56.100 0.050 0.000 0.972 939 R CB -0.566 29.788 30.300 0.089 0.000 0.869 939 R HN 0.349 nan 8.270 nan 0.000 0.437 940 E N 0.755 120.988 120.200 0.054 0.000 2.085 940 E HA -0.136 4.210 4.350 -0.006 0.000 0.194 940 E C 1.808 178.431 176.600 0.038 0.000 0.994 940 E CA 1.290 57.722 56.400 0.053 0.000 0.801 940 E CB 0.216 30.012 29.700 0.159 0.000 0.743 940 E HN 0.031 nan 8.360 nan 0.000 0.453 941 V N 0.613 120.558 119.914 0.051 0.000 2.591 941 V HA -0.173 3.944 4.120 -0.006 0.000 0.249 941 V C 2.239 178.341 176.094 0.014 0.000 1.053 941 V CA 1.819 64.141 62.300 0.036 0.000 1.068 941 V CB -0.392 31.459 31.823 0.047 0.000 0.689 941 V HN 0.321 nan 8.190 nan 0.000 0.462 942 E N 0.474 120.680 120.200 0.010 0.000 2.038 942 E HA -0.216 4.130 4.350 -0.006 0.000 0.195 942 E C 2.166 178.754 176.600 -0.020 0.000 1.000 942 E CA 1.996 58.394 56.400 -0.003 0.000 0.803 942 E CB -0.107 29.591 29.700 -0.004 0.000 0.750 942 E HN 0.372 nan 8.360 nan 0.000 0.448 943 V N 1.231 121.121 119.914 -0.039 0.000 2.469 943 V HA -0.262 3.855 4.120 -0.006 0.000 0.251 943 V C 2.439 178.513 176.094 -0.034 0.000 1.064 943 V CA 1.463 63.733 62.300 -0.049 0.000 1.066 943 V CB -0.474 31.301 31.823 -0.080 0.000 0.667 943 V HN 0.346 nan 8.190 nan 0.000 0.461 944 L N -0.714 120.495 121.223 -0.024 0.000 2.079 944 L HA -0.220 4.116 4.340 -0.006 0.000 0.210 944 L C 2.760 179.619 176.870 -0.019 0.000 1.081 944 L CA 1.744 56.571 54.840 -0.021 0.000 0.752 944 L CB -0.500 41.552 42.059 -0.011 0.000 0.896 944 L HN 0.243 nan 8.230 nan 0.000 0.433 945 R N -0.127 120.365 120.500 -0.014 0.000 2.075 945 R HA -0.189 4.147 4.340 -0.006 0.000 0.230 945 R C 2.435 178.725 176.300 -0.016 0.000 1.140 945 R CA 1.643 57.736 56.100 -0.012 0.000 0.928 945 R CB -0.248 30.048 30.300 -0.007 0.000 0.834 945 R HN 0.151 nan 8.270 nan 0.000 0.429 946 R N -0.115 120.374 120.500 -0.018 0.000 2.303 946 R HA -0.127 4.209 4.340 -0.006 0.000 0.225 946 R C 1.773 178.059 176.300 -0.024 0.000 1.114 946 R CA 1.157 57.245 56.100 -0.020 0.000 1.007 946 R CB -0.038 30.249 30.300 -0.023 0.000 0.861 946 R HN 0.288 nan 8.270 nan 0.000 0.471 947 A N 1.159 123.963 122.820 -0.027 0.000 1.861 947 A HA -0.142 4.174 4.320 -0.006 0.000 0.212 947 A C 1.861 179.427 177.584 -0.029 0.000 1.199 947 A CA 1.147 53.165 52.037 -0.031 0.000 0.613 947 A CB -0.322 18.657 19.000 -0.036 0.000 0.846 947 A HN 0.583 nan 8.150 nan 0.000 0.446 948 E N 0.201 120.385 120.200 -0.026 0.000 2.077 948 E HA -0.224 4.123 4.350 -0.006 0.000 0.193 948 E C 1.892 178.479 176.600 -0.021 0.000 0.989 948 E CA 1.353 57.738 56.400 -0.025 0.000 0.800 948 E CB -0.380 29.308 29.700 -0.021 0.000 0.746 948 E HN 0.564 nan 8.360 nan 0.000 0.452 949 K N 0.345 120.734 120.400 -0.018 0.000 2.281 949 K HA -0.118 4.198 4.320 -0.006 0.000 0.203 949 K C 2.011 178.601 176.600 -0.017 0.000 1.046 949 K CA 0.554 56.831 56.287 -0.016 0.000 0.938 949 K CB 0.028 32.520 32.500 -0.014 0.000 0.737 949 K HN 0.147 nan 8.250 nan 0.000 0.458 950 L N -0.570 120.641 121.223 -0.021 0.000 2.034 950 L HA 0.014 4.351 4.340 -0.006 0.000 0.203 950 L C 1.351 178.207 176.870 -0.023 0.000 1.074 950 L CA 2.623 57.450 54.840 -0.022 0.000 0.748 950 L CB -0.504 41.540 42.059 -0.025 0.000 0.905 950 L HN 0.500 nan 8.230 nan 0.000 0.439 951 G N -2.380 106.405 108.800 -0.026 0.000 2.276 951 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.177 951 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.177 951 G C 0.650 175.530 174.900 -0.033 0.000 1.017 951 G CA 0.186 45.270 45.100 -0.027 0.000 0.750 951 G HN 0.190 nan 8.290 nan 0.000 0.506 952 L N 0.754 121.955 121.223 -0.038 0.000 2.168 952 L HA 0.311 4.648 4.340 -0.006 0.000 0.203 952 L C 1.595 178.433 176.870 -0.054 0.000 1.078 952 L CA 1.654 56.465 54.840 -0.048 0.000 0.780 952 L CB -0.724 41.304 42.059 -0.051 0.000 0.939 952 L HN 0.529 nan 8.230 nan 0.000 0.451 953 V N -2.086 117.798 119.914 -0.050 0.000 2.417 953 V HA 0.446 4.562 4.120 -0.006 0.000 0.291 953 V C 0.396 176.464 176.094 -0.043 0.000 1.024 953 V CA -0.971 61.297 62.300 -0.054 0.000 0.861 953 V CB 0.566 32.355 31.823 -0.057 0.000 0.985 953 V HN 0.431 nan 8.190 nan 0.000 0.436 954 T N 3.487 118.015 114.554 -0.043 0.000 2.736 954 T HA 0.213 4.560 4.350 -0.006 0.000 0.275 954 T C -1.979 172.704 174.700 -0.028 0.000 0.962 954 T CA -0.594 61.486 62.100 -0.033 0.000 1.214 954 T CB -0.344 68.504 68.868 -0.033 0.000 0.904 954 T HN 0.706 nan 8.240 nan 0.000 0.529 955 P HA 0.258 nan 4.420 nan 0.000 0.267 955 P C 1.354 178.645 177.300 -0.014 0.000 1.195 955 P CA 1.200 64.290 63.100 -0.017 0.000 0.773 955 P CB 0.041 31.733 31.700 -0.014 0.000 0.837 956 G N 0.704 109.498 108.800 -0.010 0.000 3.079 956 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.214 956 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.214 956 G C 0.430 175.326 174.900 -0.005 0.000 1.335 956 G CA 0.215 45.311 45.100 -0.006 0.000 0.822 956 G HN 0.712 nan 8.290 nan 0.000 0.545 957 K N 1.617 122.011 120.400 -0.010 0.000 2.402 957 K HA 0.365 4.681 4.320 -0.006 0.000 0.265 957 K C 0.822 177.419 176.600 -0.006 0.000 0.978 957 K CA 0.801 57.082 56.287 -0.010 0.000 0.913 957 K CB 0.190 32.678 32.500 -0.021 0.000 0.954 957 K HN 0.368 nan 8.250 nan 0.000 0.511 958 T N 2.359 116.914 114.554 0.001 0.000 2.918 958 T HA 0.133 4.480 4.350 -0.006 0.000 0.302 958 T C -1.848 172.857 174.700 0.008 0.000 1.045 958 T CA -1.674 60.434 62.100 0.014 0.000 1.114 958 T CB 0.828 69.715 68.868 0.031 0.000 0.965 958 T HN 0.363 nan 8.240 nan 0.000 0.540 959 P HA -0.160 nan 4.420 nan 0.000 0.217 959 P C 1.267 178.565 177.300 -0.003 0.000 1.158 959 P CA 1.454 64.566 63.100 0.019 0.000 0.887 959 P CB 0.122 31.857 31.700 0.058 0.000 0.792 960 E N -0.501 119.732 120.200 0.054 0.000 2.058 960 E HA -0.245 4.102 4.350 -0.006 0.000 0.194 960 E C 1.971 178.551 176.600 -0.034 0.000 0.997 960 E CA 1.202 57.639 56.400 0.062 0.000 0.801 960 E CB -0.362 29.467 29.700 0.214 0.000 0.746 960 E HN 0.069 nan 8.360 nan 0.000 0.450 961 E N 0.314 120.503 120.200 -0.018 0.000 2.153 961 E HA -0.198 4.149 4.350 -0.006 0.000 0.194 961 E C 2.001 178.521 176.600 -0.134 0.000 0.988 961 E CA 0.902 57.265 56.400 -0.063 0.000 0.811 961 E CB -0.094 29.591 29.700 -0.026 0.000 0.746 961 E HN 0.388 nan 8.360 nan 0.000 0.466 962 Q N 0.053 119.785 119.800 -0.114 0.000 2.046 962 Q HA -0.049 4.288 4.340 -0.006 0.000 0.200 962 Q C 2.393 178.278 176.000 -0.191 0.000 0.975 962 Q CA 0.932 56.662 55.803 -0.121 0.000 0.836 962 Q CB -0.002 28.692 28.738 -0.074 0.000 0.896 962 Q HN 0.222 nan 8.270 nan 0.000 0.428 963 L N 0.458 121.534 121.223 -0.245 0.000 2.046 963 L HA -0.230 4.107 4.340 -0.006 0.000 0.208 963 L C 2.512 179.001 176.870 -0.634 0.000 1.077 963 L CA 1.392 56.036 54.840 -0.327 0.000 0.747 963 L CB -0.518 41.347 42.059 -0.323 0.000 0.896 963 L HN 0.211 nan 8.230 nan 0.000 0.432 964 K N 0.617 120.424 120.400 -0.989 0.000 2.020 964 K HA -0.287 4.029 4.320 -0.006 0.000 0.212 964 K C 2.077 178.371 176.600 -0.510 0.000 1.050 964 K CA 2.045 57.584 56.287 -1.247 0.000 0.929 964 K CB -0.099 31.930 32.500 -0.785 0.000 0.714 964 K HN 0.257 nan 8.250 nan 0.000 0.443 965 E N 0.088 120.096 120.200 -0.319 0.000 2.038 965 E HA -0.223 4.123 4.350 -0.006 0.000 0.195 965 E C 2.006 178.508 176.600 -0.164 0.000 1.000 965 E CA 1.249 57.538 56.400 -0.186 0.000 0.803 965 E CB -0.072 29.544 29.700 -0.140 0.000 0.750 965 E HN 0.215 nan 8.360 nan 0.000 0.448 966 L N 0.134 121.257 121.223 -0.167 0.000 2.191 966 L HA -0.101 4.235 4.340 -0.006 0.000 0.212 966 L C 1.940 178.752 176.870 -0.097 0.000 1.103 966 L CA 1.441 56.209 54.840 -0.120 0.000 0.769 966 L CB -0.597 41.403 42.059 -0.098 0.000 0.908 966 L HN 0.250 nan 8.230 nan 0.000 0.438 967 F N -1.023 118.760 119.950 -0.279 0.000 2.187 967 F HA -0.088 4.435 4.527 -0.007 0.000 0.295 967 F C 2.102 177.790 175.800 -0.187 0.000 1.091 967 F CA 1.069 58.944 58.000 -0.208 0.000 1.308 967 F CB -0.097 38.752 39.000 -0.251 0.000 1.030 967 F HN -0.060 nan 8.300 nan 0.000 0.487 968 L N 0.151 121.338 121.223 -0.061 0.000 2.261 968 L HA -0.246 4.091 4.340 -0.006 0.000 0.216 968 L C 2.075 178.789 176.870 -0.260 0.000 1.114 968 L CA 1.249 56.016 54.840 -0.120 0.000 0.777 968 L CB -0.684 41.330 42.059 -0.075 0.000 0.910 968 L HN 0.283 nan 8.230 nan 0.000 0.440 969 Q N -0.595 119.044 119.800 -0.269 0.000 2.472 969 Q HA 0.002 4.338 4.340 -0.006 0.000 0.208 969 Q C 1.569 177.276 176.000 -0.488 0.000 0.958 969 Q CA 0.606 56.232 55.803 -0.296 0.000 0.932 969 Q CB 0.321 28.946 28.738 -0.188 0.000 1.007 969 Q HN 0.639 nan 8.270 nan 0.000 0.508 970 G N 0.998 109.438 108.800 -0.600 0.000 2.195 970 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.246 970 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.246 970 G C 0.006 174.719 174.900 -0.312 0.000 0.984 970 G CA 0.059 44.730 45.100 -0.715 0.000 0.633 970 G HN 0.241 nan 8.290 nan 0.000 0.525 971 K N -0.176 120.078 120.400 -0.244 0.000 2.238 971 K HA 0.834 5.150 4.320 -0.006 0.000 0.239 971 K C 0.111 176.661 176.600 -0.083 0.000 0.987 971 K CA -0.381 55.837 56.287 -0.115 0.000 0.857 971 K CB 2.924 35.386 32.500 -0.064 0.000 1.154 971 K HN 0.823 nan 8.250 nan 0.000 0.439 972 V N -2.834 117.077 119.914 -0.006 0.000 3.202 972 V HA 0.481 4.597 4.120 -0.006 0.000 0.306 972 V C -0.919 175.203 176.094 0.046 0.000 1.283 972 V CA -1.154 61.197 62.300 0.085 0.000 1.065 972 V CB 1.661 33.581 31.823 0.162 0.000 1.079 972 V HN 0.407 nan 8.190 nan 0.000 0.448 973 V N 2.493 122.445 119.914 0.063 0.000 2.461 973 V HA 0.488 4.605 4.120 -0.006 0.000 0.275 973 V C -0.223 175.834 176.094 -0.061 0.000 1.047 973 V CA -0.036 62.239 62.300 -0.041 0.000 0.955 973 V CB 0.665 32.433 31.823 -0.093 0.000 0.988 973 V HN 0.651 nan 8.190 nan 0.000 0.471 974 L N 5.462 126.614 121.223 -0.119 0.000 2.334 974 L HA 0.563 4.900 4.340 -0.006 0.000 0.273 974 L C -0.714 176.030 176.870 -0.210 0.000 1.013 974 L CA -0.423 54.373 54.840 -0.074 0.000 0.816 974 L CB 1.549 43.605 42.059 -0.004 0.000 1.278 974 L HN 0.458 nan 8.230 nan 0.000 0.431 975 Y N 0.378 120.520 120.300 -0.262 0.000 2.331 975 Y HA 0.254 4.803 4.550 -0.002 0.000 0.338 975 Y C 0.373 176.127 175.900 -0.242 0.000 0.992 975 Y CA -0.902 57.012 58.100 -0.310 0.000 1.121 975 Y CB 0.989 39.144 38.460 -0.507 0.000 1.184 975 Y HN 0.478 nan 8.280 nan 0.000 0.469 976 D N 2.845 123.305 120.400 0.101 0.000 2.356 976 D HA -0.020 4.617 4.640 -0.006 0.000 0.272 976 D C 1.326 177.792 176.300 0.276 0.000 1.337 976 D CA 0.504 54.599 54.000 0.157 0.000 0.970 976 D CB 1.022 41.881 40.800 0.098 0.000 1.092 976 D HN 0.977 nan 8.370 nan 0.000 0.516 977 G N 4.259 113.298 108.800 0.398 0.000 2.537 977 G HA2 -0.276 3.681 3.960 -0.006 0.000 0.220 977 G HA3 -0.276 3.681 3.960 -0.006 0.000 0.220 977 G C 1.564 176.596 174.900 0.220 0.000 1.111 977 G CA 0.431 45.786 45.100 0.425 0.000 0.748 977 G HN 0.511 nan 8.290 nan 0.000 0.564 978 R N -1.201 119.413 120.500 0.190 0.000 2.112 978 R HA 0.101 4.438 4.340 -0.006 0.000 0.216 978 R C 2.516 178.879 176.300 0.104 0.000 1.080 978 R CA 1.381 57.557 56.100 0.126 0.000 0.996 978 R CB -0.256 30.107 30.300 0.105 0.000 0.902 978 R HN 0.316 nan 8.270 nan 0.000 0.449 979 T N -2.187 112.436 114.554 0.116 0.000 2.999 979 T HA 0.208 4.554 4.350 -0.006 0.000 0.247 979 T C 1.245 176.019 174.700 0.124 0.000 1.012 979 T CA 0.958 63.116 62.100 0.096 0.000 1.048 979 T CB 0.510 69.420 68.868 0.070 0.000 1.020 979 T HN 0.422 nan 8.240 nan 0.000 0.478 980 G N 1.060 109.973 108.800 0.189 0.000 2.213 980 G HA2 -0.169 3.788 3.960 -0.006 0.000 0.236 980 G HA3 -0.169 3.788 3.960 -0.006 0.000 0.236 980 G C -0.055 175.006 174.900 0.269 0.000 0.991 980 G CA 0.206 45.446 45.100 0.233 0.000 0.629 980 G HN 0.605 nan 8.290 nan 0.000 0.517 981 E N 1.752 122.059 120.200 0.179 0.000 2.371 981 E HA 0.454 4.801 4.350 -0.006 0.000 0.257 981 E C -1.990 174.653 176.600 0.071 0.000 1.134 981 E CA -1.283 55.192 56.400 0.125 0.000 0.919 981 E CB 1.281 31.019 29.700 0.063 0.000 1.025 981 E HN 0.289 nan 8.360 nan 0.000 0.438 982 P HA 0.239 nan 4.420 nan 0.000 0.283 982 P C -0.643 176.584 177.300 -0.122 0.000 1.278 982 P CA -0.320 62.646 63.100 -0.224 0.000 0.834 982 P CB 0.877 32.382 31.700 -0.325 0.000 1.150 983 I N 1.284 121.774 120.570 -0.132 0.000 2.269 983 I HA 0.085 4.252 4.170 -0.006 0.000 0.293 983 I C 0.992 177.066 176.117 -0.073 0.000 1.106 983 I CA -0.568 60.689 61.300 -0.073 0.000 1.248 983 I CB -0.252 37.721 38.000 -0.045 0.000 1.444 983 I HN 0.409 nan 8.210 nan 0.000 0.497 984 E N 6.036 126.201 120.200 -0.059 0.000 3.102 984 E HA 0.180 4.526 4.350 -0.006 0.000 0.235 984 E C 0.369 176.943 176.600 -0.043 0.000 0.995 984 E CA 0.061 56.431 56.400 -0.049 0.000 0.950 984 E CB -0.234 29.445 29.700 -0.035 0.000 0.905 984 E HN 0.863 nan 8.360 nan 0.000 0.553 985 G N 3.164 111.936 108.800 -0.047 0.000 3.438 985 G HA2 -0.080 3.877 3.960 -0.006 0.000 0.684 985 G HA3 -0.080 3.877 3.960 -0.006 0.000 0.684 985 G C -2.793 172.082 174.900 -0.040 0.000 1.192 985 G CA -1.042 44.035 45.100 -0.039 0.000 1.013 985 G HN 0.407 nan 8.290 nan 0.000 0.530 986 P HA 0.270 nan 4.420 nan 0.000 0.261 986 P C 0.161 177.445 177.300 -0.027 0.000 1.173 986 P CA 0.277 63.356 63.100 -0.035 0.000 0.760 986 P CB 0.452 32.129 31.700 -0.039 0.000 0.783 987 I N 3.368 123.926 120.570 -0.020 0.000 2.418 987 I HA 0.198 4.364 4.170 -0.006 0.000 0.287 987 I C 0.305 176.418 176.117 -0.007 0.000 1.008 987 I CA -1.172 60.123 61.300 -0.010 0.000 1.104 987 I CB 1.913 39.911 38.000 -0.002 0.000 1.264 987 I HN 0.122 nan 8.210 nan 0.000 0.438 988 V N 8.707 128.623 119.914 0.002 0.000 2.843 988 V HA 0.486 4.603 4.120 -0.006 0.000 0.305 988 V C -0.328 175.768 176.094 0.003 0.000 1.065 988 V CA 0.266 62.576 62.300 0.018 0.000 1.116 988 V CB 1.450 33.342 31.823 0.116 0.000 0.968 988 V HN 0.566 nan 8.190 nan 0.000 0.487 989 V N 2.861 122.774 119.914 -0.001 0.000 3.178 989 V HA 1.115 5.232 4.120 -0.006 0.000 0.302 989 V C -0.139 175.949 176.094 -0.010 0.000 1.262 989 V CA 0.118 62.409 62.300 -0.015 0.000 1.030 989 V CB 1.106 32.917 31.823 -0.019 0.000 1.074 989 V HN 1.809 nan 8.190 nan 0.000 0.438 990 G N 1.050 109.831 108.800 -0.031 0.000 2.342 990 G HA2 0.451 4.407 3.960 -0.006 0.000 0.297 990 G HA3 0.451 4.407 3.960 -0.006 0.000 0.297 990 G C -1.862 173.033 174.900 -0.009 0.000 1.313 990 G CA -0.860 44.238 45.100 -0.002 0.000 0.830 990 G HN 0.849 nan 8.290 nan 0.000 0.506 991 Q N 0.422 120.260 119.800 0.063 0.000 2.361 991 Q HA 0.433 4.769 4.340 -0.006 0.000 0.250 991 Q C -0.176 175.907 176.000 0.139 0.000 1.023 991 Q CA 0.181 56.047 55.803 0.106 0.000 0.915 991 Q CB 1.375 30.220 28.738 0.179 0.000 1.238 991 Q HN 0.502 nan 8.270 nan 0.000 0.451 992 M N 3.789 123.467 119.600 0.130 0.000 2.253 992 M HA 0.363 4.840 4.480 -0.006 0.000 0.314 992 M C -1.431 175.017 176.300 0.246 0.000 1.019 992 M CA -0.780 54.616 55.300 0.161 0.000 0.932 992 M CB 1.039 33.688 32.600 0.082 0.000 1.606 992 M HN 0.604 nan 8.290 nan 0.000 0.430 993 F N 6.686 126.698 119.950 0.104 0.000 2.541 993 F HA 0.426 4.949 4.527 -0.006 0.000 0.378 993 F C -1.107 174.773 175.800 0.133 0.000 1.068 993 F CA -0.065 58.006 58.000 0.117 0.000 1.199 993 F CB 0.358 39.407 39.000 0.083 0.000 1.091 993 F HN 0.469 nan 8.300 nan 0.000 0.555 994 I N 7.235 127.641 120.570 -0.274 0.000 2.647 994 I HA 0.349 4.515 4.170 -0.006 0.000 0.295 994 I C -0.685 175.285 176.117 -0.244 0.000 1.078 994 I CA -0.938 60.219 61.300 -0.238 0.000 1.048 994 I CB 2.346 40.314 38.000 -0.054 0.000 1.239 994 I HN 0.567 nan 8.210 nan 0.000 0.421 995 M N 4.241 123.714 119.600 -0.211 0.000 2.705 995 M HA 0.492 4.969 4.480 -0.006 0.000 0.311 995 M C -0.494 175.835 176.300 0.048 0.000 1.214 995 M CA -0.740 54.524 55.300 -0.061 0.000 0.920 995 M CB 2.035 34.565 32.600 -0.117 0.000 1.687 995 M HN 0.365 nan 8.290 nan 0.000 0.481 996 K N 1.818 122.304 120.400 0.144 0.000 2.206 996 K HA 0.608 4.924 4.320 -0.006 0.000 0.264 996 K C -1.696 174.970 176.600 0.110 0.000 0.967 996 K CA -0.452 55.908 56.287 0.122 0.000 0.844 996 K CB 1.000 33.638 32.500 0.230 0.000 1.099 996 K HN 0.689 nan 8.250 nan 0.000 0.441 997 L N 4.198 125.479 121.223 0.098 0.000 2.334 997 L HA 0.267 4.603 4.340 -0.006 0.000 0.277 997 L C 0.077 177.069 176.870 0.203 0.000 1.075 997 L CA -1.066 53.853 54.840 0.131 0.000 0.804 997 L CB 0.445 42.556 42.059 0.086 0.000 1.174 997 L HN 0.590 nan 8.230 nan 0.000 0.438 998 Y N 1.608 121.960 120.300 0.086 0.000 2.578 998 Y HA -0.011 4.535 4.550 -0.006 0.000 0.339 998 Y C -0.107 175.884 175.900 0.152 0.000 1.231 998 Y CA -0.096 58.061 58.100 0.095 0.000 1.461 998 Y CB 0.195 38.696 38.460 0.069 0.000 1.323 998 Y HN 0.387 nan 8.280 nan 0.000 0.590 999 H N 6.105 124.567 119.070 -1.014 0.000 2.640 999 H HA 0.291 4.844 4.556 -0.006 0.000 0.297 999 H C -0.086 174.536 175.328 -1.177 0.000 1.073 999 H CA -0.562 54.993 56.048 -0.821 0.000 1.305 999 H CB 0.252 29.720 29.762 -0.490 0.000 1.404 999 H HN 0.584 nan 8.280 nan 0.000 0.459 1000 M N 2.723 121.969 119.600 -0.591 0.000 2.198 1000 M HA -0.000 4.476 4.480 -0.006 0.000 0.315 1000 M C 1.726 177.949 176.300 -0.128 0.000 1.134 1000 M CA -0.295 54.849 55.300 -0.261 0.000 1.171 1000 M CB 0.680 33.241 32.600 -0.066 0.000 1.413 1000 M HN 0.505 nan 8.290 nan 0.000 0.467 1001 V N -0.344 119.580 119.914 0.017 0.000 2.867 1001 V HA -0.233 3.884 4.120 -0.006 0.000 0.260 1001 V C 1.730 177.904 176.094 0.132 0.000 1.099 1001 V CA 1.935 64.280 62.300 0.074 0.000 1.122 1001 V CB -1.707 30.189 31.823 0.120 0.000 0.708 1001 V HN 0.984 nan 8.190 nan 0.000 0.490 1002 E N 0.098 120.351 120.200 0.090 0.000 2.208 1002 E HA -0.244 4.102 4.350 -0.006 0.000 0.193 1002 E C 1.815 178.462 176.600 0.079 0.000 0.988 1002 E CA 1.225 57.699 56.400 0.123 0.000 0.828 1002 E CB -0.522 29.171 29.700 -0.011 0.000 0.763 1002 E HN 0.585 nan 8.360 nan 0.000 0.478 1003 D N 1.636 122.005 120.400 -0.051 0.000 2.264 1003 D HA -0.110 4.527 4.640 -0.006 0.000 0.208 1003 D C 0.390 176.684 176.300 -0.009 0.000 0.966 1003 D CA 0.486 54.415 54.000 -0.118 0.000 0.864 1003 D CB 0.041 40.600 40.800 -0.400 0.000 0.933 1003 D HN 0.107 nan 8.370 nan 0.000 0.499 1004 K N 1.841 122.256 120.400 0.025 0.000 2.250 1004 K HA -0.060 4.257 4.320 -0.006 0.000 0.277 1004 K C 0.587 177.120 176.600 -0.111 0.000 1.091 1004 K CA -0.218 56.063 56.287 -0.011 0.000 1.046 1004 K CB -0.105 32.381 32.500 -0.023 0.000 0.982 1004 K HN 0.022 nan 8.250 nan 0.000 0.429 1005 M N 5.847 125.414 119.600 -0.056 0.000 2.882 1005 M HA -0.105 4.372 4.480 -0.006 0.000 0.389 1005 M C -0.977 175.086 176.300 -0.394 0.000 1.812 1005 M CA 0.671 55.907 55.300 -0.106 0.000 1.236 1005 M CB -0.340 32.234 32.600 -0.043 0.000 2.103 1005 M HN 0.560 nan 8.290 nan 0.000 0.475 1006 H N 3.724 122.391 119.070 -0.672 0.000 2.690 1006 H HA 0.562 5.114 4.556 -0.006 0.000 0.365 1006 H C -0.152 174.621 175.328 -0.925 0.000 1.142 1006 H CA 0.420 55.567 56.048 -1.501 0.000 1.417 1006 H CB 0.770 29.979 29.762 -0.923 0.000 1.446 1006 H HN 0.705 nan 8.280 nan 0.000 0.599 1007 A N 2.612 124.947 122.820 -0.808 0.000 2.483 1007 A HA 0.304 4.621 4.320 -0.006 0.000 0.298 1007 A C -0.645 177.071 177.584 0.220 0.000 1.052 1007 A CA -0.722 51.254 52.037 -0.101 0.000 0.978 1007 A CB 0.630 19.628 19.000 -0.004 0.000 1.506 1007 A HN 0.681 nan 8.150 nan 0.000 0.388 1008 R N 1.728 122.320 120.500 0.153 0.000 2.460 1008 R HA 0.689 5.025 4.340 -0.006 0.000 0.303 1008 R C 0.574 176.931 176.300 0.094 0.000 0.968 1008 R CA 0.332 56.536 56.100 0.174 0.000 0.889 1008 R CB 1.755 32.143 30.300 0.146 0.000 1.123 1008 R HN 0.709 nan 8.270 nan 0.000 0.455 1009 S N 1.688 117.436 115.700 0.080 0.000 2.620 1009 S HA 0.242 4.709 4.470 -0.006 0.000 0.234 1009 S C -0.349 174.280 174.600 0.048 0.000 1.064 1009 S CA 0.522 58.763 58.200 0.069 0.000 0.920 1009 S CB 0.542 63.791 63.200 0.082 0.000 0.826 1009 S HN 0.711 nan 8.310 nan 0.000 0.557 1010 T N 0.163 114.718 114.554 0.002 0.000 3.012 1010 T HA 0.669 5.015 4.350 -0.006 0.000 0.330 1010 T C -0.315 174.296 174.700 -0.148 0.000 1.321 1010 T CA -0.337 61.722 62.100 -0.069 0.000 1.067 1010 T CB 1.407 70.216 68.868 -0.100 0.000 1.235 1010 T HN 0.581 nan 8.240 nan 0.000 0.479 1011 G N 1.597 110.211 108.800 -0.311 0.000 2.604 1011 G HA2 0.713 4.669 3.960 -0.006 0.000 0.242 1011 G HA3 0.713 4.669 3.960 -0.006 0.000 0.242 1011 G C -3.112 171.458 174.900 -0.550 0.000 1.208 1011 G CA -0.685 44.219 45.100 -0.326 0.000 0.912 1011 G HN 0.622 nan 8.290 nan 0.000 0.502 1012 P HA 0.566 nan 4.420 nan 0.000 0.277 1012 P C -1.551 175.385 177.300 -0.606 0.000 1.276 1012 P CA -0.050 62.844 63.100 -0.343 0.000 0.788 1012 P CB 0.308 31.923 31.700 -0.142 0.000 1.114 1013 Y N -2.133 118.169 120.300 0.003 0.000 2.442 1013 Y HA 0.308 4.855 4.550 -0.006 0.000 0.330 1013 Y C 0.505 176.413 175.900 0.012 0.000 1.100 1013 Y CA -0.789 57.316 58.100 0.009 0.000 1.034 1013 Y CB 1.328 39.791 38.460 0.004 0.000 1.285 1013 Y HN 0.200 nan 8.280 nan 0.000 0.440 1014 S N 2.312 118.118 115.700 0.177 0.000 2.549 1014 S HA -0.007 4.460 4.470 -0.006 0.000 0.278 1014 S C 1.159 175.818 174.600 0.099 0.000 1.344 1014 S CA -0.118 58.146 58.200 0.107 0.000 1.025 1014 S CB 0.419 63.670 63.200 0.086 0.000 0.851 1014 S HN 0.840 nan 8.310 nan 0.000 0.530 1015 L N 3.964 125.228 121.223 0.068 0.000 1.973 1015 L HA -0.051 4.285 4.340 -0.006 0.000 0.208 1015 L C 1.988 178.887 176.870 0.048 0.000 1.073 1015 L CA 1.361 56.234 54.840 0.055 0.000 0.746 1015 L CB -0.434 41.650 42.059 0.042 0.000 0.891 1015 L HN 0.810 nan 8.230 nan 0.000 0.433 1016 I N -1.349 119.246 120.570 0.042 0.000 2.209 1016 I HA -0.131 4.036 4.170 -0.006 0.000 0.220 1016 I C 1.638 177.779 176.117 0.040 0.000 1.056 1016 I CA 1.072 62.394 61.300 0.037 0.000 1.354 1016 I CB -2.079 35.940 38.000 0.031 0.000 1.145 1016 I HN 0.210 nan 8.210 nan 0.000 0.396 1017 T N 1.109 115.688 114.554 0.042 0.000 2.932 1017 T HA -0.052 4.295 4.350 -0.006 0.000 0.312 1017 T C 0.311 175.042 174.700 0.052 0.000 1.071 1017 T CA 0.067 62.194 62.100 0.044 0.000 1.128 1017 T CB 0.464 69.359 68.868 0.044 0.000 0.984 1017 T HN 0.367 nan 8.240 nan 0.000 0.549 1018 Q N 2.528 122.351 119.800 0.038 0.000 2.399 1018 Q HA 0.212 4.549 4.340 -0.006 0.000 0.307 1018 Q C 0.192 176.220 176.000 0.047 0.000 0.933 1018 Q CA -0.233 55.582 55.803 0.020 0.000 0.995 1018 Q CB -0.050 28.660 28.738 -0.046 0.000 1.191 1018 Q HN 0.792 nan 8.270 nan 0.000 0.426 1019 Q N -0.791 119.074 119.800 0.108 0.000 2.230 1019 Q HA 0.554 4.890 4.340 -0.006 0.000 0.253 1019 Q C -2.313 173.840 176.000 0.254 0.000 0.919 1019 Q CA -2.228 53.666 55.803 0.152 0.000 0.908 1019 Q CB 1.077 29.876 28.738 0.100 0.000 1.245 1019 Q HN -0.003 nan 8.270 nan 0.000 0.437 1020 P HA -0.062 nan 4.420 nan 0.000 0.269 1020 P C -1.176 176.163 177.300 0.065 0.000 1.200 1020 P CA 0.227 63.437 63.100 0.184 0.000 0.779 1020 P CB 0.294 32.059 31.700 0.108 0.000 0.841 1021 L N 0.653 121.852 121.223 -0.041 0.000 2.545 1021 L HA 0.688 5.024 4.340 -0.006 0.000 0.258 1021 L C -0.068 176.779 176.870 -0.039 0.000 0.942 1021 L CA -0.162 54.672 54.840 -0.011 0.000 0.855 1021 L CB 1.677 43.745 42.059 0.015 0.000 1.374 1021 L HN 0.503 nan 8.230 nan 0.000 0.411 1022 G N 0.812 109.620 108.800 0.013 0.000 2.641 1022 G HA2 0.778 4.734 3.960 -0.006 0.000 0.239 1022 G HA3 0.778 4.734 3.960 -0.006 0.000 0.239 1022 G C -0.099 174.808 174.900 0.012 0.000 1.402 1022 G CA -0.043 45.072 45.100 0.025 0.000 1.046 1022 G HN 1.260 nan 8.290 nan 0.000 0.565 1023 G N -1.524 107.283 108.800 0.012 0.000 2.483 1023 G HA2 0.079 4.036 3.960 -0.006 0.000 0.090 1023 G HA3 0.079 4.036 3.960 -0.006 0.000 0.090 1023 G C 0.772 175.665 174.900 -0.012 0.000 0.984 1023 G CA 0.475 45.577 45.100 0.003 0.000 1.325 1023 G HN 0.493 nan 8.290 nan 0.000 0.561 1024 K N 0.203 120.584 120.400 -0.031 0.000 2.029 1024 K HA 0.419 4.736 4.320 -0.006 0.000 0.205 1024 K C 2.506 179.056 176.600 -0.085 0.000 1.042 1024 K CA 1.231 57.495 56.287 -0.037 0.000 0.949 1024 K CB 0.091 32.579 32.500 -0.020 0.000 0.740 1024 K HN 0.318 nan 8.250 nan 0.000 0.442 1025 A N 0.710 123.462 122.820 -0.114 0.000 1.963 1025 A HA 0.032 4.348 4.320 -0.006 0.000 0.211 1025 A C 0.769 178.170 177.584 -0.304 0.000 1.380 1025 A CA 0.039 51.963 52.037 -0.188 0.000 0.690 1025 A CB -0.212 18.709 19.000 -0.132 0.000 1.060 1025 A HN 0.119 nan 8.150 nan 0.000 0.498 1026 Q N 0.554 120.232 119.800 -0.204 0.000 2.289 1026 Q HA 0.323 4.659 4.340 -0.006 0.000 0.273 1026 Q C -1.089 174.838 176.000 -0.122 0.000 1.029 1026 Q CA -0.194 55.499 55.803 -0.183 0.000 0.896 1026 Q CB -0.408 28.263 28.738 -0.111 0.000 1.182 1026 Q HN 0.321 nan 8.270 nan 0.000 0.385 1027 F N 1.231 121.177 119.950 -0.007 0.000 2.545 1027 F HA 0.256 4.779 4.527 -0.006 0.000 0.348 1027 F C 1.510 177.327 175.800 0.029 0.000 1.163 1027 F CA 0.832 58.856 58.000 0.040 0.000 1.331 1027 F CB 0.277 39.317 39.000 0.066 0.000 1.138 1027 F HN 0.579 nan 8.300 nan 0.000 0.602 1028 G N 0.811 109.803 108.800 0.320 0.000 2.539 1028 G HA2 0.455 4.412 3.960 -0.006 0.000 0.258 1028 G HA3 0.455 4.412 3.960 -0.006 0.000 0.258 1028 G C 0.087 175.051 174.900 0.108 0.000 1.202 1028 G CA -0.388 44.801 45.100 0.148 0.000 0.851 1028 G HN 0.933 nan 8.290 nan 0.000 0.556 1029 G N -0.409 108.425 108.800 0.056 0.000 2.483 1029 G HA2 0.412 4.369 3.960 -0.006 0.000 0.248 1029 G HA3 0.412 4.369 3.960 -0.006 0.000 0.248 1029 G C 0.113 175.031 174.900 0.029 0.000 1.248 1029 G CA -0.167 44.959 45.100 0.043 0.000 0.838 1029 G HN 0.687 nan 8.290 nan 0.000 0.566 1030 Q N 0.159 119.969 119.800 0.016 0.000 2.394 1030 Q HA 0.218 4.555 4.340 -0.006 0.000 0.248 1030 Q C 0.320 176.349 176.000 0.048 0.000 0.992 1030 Q CA -0.088 55.719 55.803 0.007 0.000 0.888 1030 Q CB 0.588 29.327 28.738 0.001 0.000 1.257 1030 Q HN 0.368 nan 8.270 nan 0.000 0.462 1031 R N 2.883 123.409 120.500 0.043 0.000 2.234 1031 R HA 0.205 4.541 4.340 -0.006 0.000 0.324 1031 R C -0.929 175.451 176.300 0.135 0.000 1.054 1031 R CA -0.193 55.947 56.100 0.067 0.000 0.912 1031 R CB 0.040 30.348 30.300 0.014 0.000 1.030 1031 R HN 0.575 nan 8.270 nan 0.000 0.455 1032 F N 2.637 122.564 119.950 -0.039 0.000 2.291 1032 F HA 0.402 4.926 4.527 -0.006 0.000 0.368 1032 F C 0.465 176.220 175.800 -0.076 0.000 1.085 1032 F CA -0.847 57.125 58.000 -0.047 0.000 1.165 1032 F CB 0.717 39.699 39.000 -0.029 0.000 1.429 1032 F HN 0.553 nan 8.300 nan 0.000 0.503 1033 G N 3.688 112.284 108.800 -0.340 0.000 2.528 1033 G HA2 0.215 4.172 3.960 -0.006 0.000 0.289 1033 G HA3 0.215 4.172 3.960 -0.006 0.000 0.289 1033 G C 0.693 175.226 174.900 -0.612 0.000 1.192 1033 G CA -0.127 44.743 45.100 -0.383 0.000 0.921 1033 G HN 0.690 nan 8.290 nan 0.000 0.512 1034 E N -0.269 119.569 120.200 -0.603 0.000 2.065 1034 E HA -0.323 4.023 4.350 -0.006 0.000 0.201 1034 E C 2.193 178.051 176.600 -1.236 0.000 1.016 1034 E CA 1.686 57.520 56.400 -0.943 0.000 0.818 1034 E CB -0.367 28.744 29.700 -0.982 0.000 0.749 1034 E HN 0.330 nan 8.360 nan 0.000 0.453 1035 M N 1.015 120.073 119.600 -0.904 0.000 2.143 1035 M HA -0.190 4.286 4.480 -0.006 0.000 0.258 1035 M C 1.908 178.061 176.300 -0.246 0.000 1.071 1035 M CA 1.996 57.025 55.300 -0.452 0.000 1.088 1035 M CB -0.192 32.304 32.600 -0.173 0.000 1.360 1035 M HN 0.096 nan 8.290 nan 0.000 0.404 1036 E N -0.898 119.061 120.200 -0.401 0.000 2.076 1036 E HA -0.034 4.312 4.350 -0.006 0.000 0.190 1036 E C 2.158 178.504 176.600 -0.424 0.000 0.979 1036 E CA 0.878 57.064 56.400 -0.357 0.000 0.807 1036 E CB -0.673 28.718 29.700 -0.515 0.000 0.761 1036 E HN 0.250 nan 8.360 nan 0.000 0.454 1037 V N 0.617 120.107 119.914 -0.707 0.000 2.252 1037 V HA -0.291 3.826 4.120 -0.006 0.000 0.249 1037 V C 1.922 177.996 176.094 -0.033 0.000 1.056 1037 V CA 1.889 63.939 62.300 -0.417 0.000 1.022 1037 V CB -0.696 30.866 31.823 -0.435 0.000 0.641 1037 V HN 0.344 nan 8.190 nan 0.000 0.445 1038 W N 0.144 121.391 121.300 -0.088 0.000 2.333 1038 W HA -0.197 4.459 4.660 -0.006 0.000 0.316 1038 W C 2.846 179.358 176.519 -0.012 0.000 1.215 1038 W CA 1.693 59.014 57.345 -0.040 0.000 1.278 1038 W CB -1.702 27.726 29.460 -0.053 0.000 1.154 1038 W HN 0.340 nan 8.180 nan 0.000 0.486 1039 A N 0.223 123.179 122.820 0.226 0.000 1.915 1039 A HA -0.239 4.078 4.320 -0.006 0.000 0.220 1039 A C 2.094 179.830 177.584 0.253 0.000 1.198 1039 A CA 2.471 54.613 52.037 0.176 0.000 0.647 1039 A CB -1.060 18.044 19.000 0.173 0.000 0.825 1039 A HN 0.204 nan 8.150 nan 0.000 0.456 1040 L N -0.501 120.896 121.223 0.290 0.000 2.027 1040 L HA -0.143 4.194 4.340 -0.006 0.000 0.206 1040 L C 2.461 179.500 176.870 0.282 0.000 1.074 1040 L CA 2.067 57.120 54.840 0.356 0.000 0.745 1040 L CB -0.787 41.477 42.059 0.341 0.000 0.898 1040 L HN 0.461 nan 8.230 nan 0.000 0.433 1041 E N -0.379 119.953 120.200 0.220 0.000 2.114 1041 E HA -0.332 4.014 4.350 -0.006 0.000 0.199 1041 E C 2.234 178.907 176.600 0.122 0.000 1.008 1041 E CA 1.326 57.831 56.400 0.174 0.000 0.810 1041 E CB -0.311 29.507 29.700 0.197 0.000 0.739 1041 E HN 0.539 nan 8.360 nan 0.000 0.456 1042 A N 1.048 123.913 122.820 0.076 0.000 1.859 1042 A HA -0.178 4.138 4.320 -0.006 0.000 0.217 1042 A C 0.986 178.545 177.584 -0.041 0.000 1.198 1042 A CA 1.257 53.267 52.037 -0.046 0.000 0.629 1042 A CB -0.894 18.002 19.000 -0.173 0.000 0.830 1042 A HN 0.191 nan 8.150 nan 0.000 0.446 1043 Y N -1.225 119.114 120.300 0.065 0.000 2.279 1043 Y HA 0.314 4.861 4.550 -0.006 0.000 0.350 1043 Y C 1.823 177.757 175.900 0.056 0.000 1.288 1043 Y CA 0.256 58.389 58.100 0.055 0.000 1.547 1043 Y CB 0.320 38.816 38.460 0.060 0.000 1.381 1043 Y HN 0.136 nan 8.280 nan 0.000 0.630 1044 G N -0.144 108.808 108.800 0.254 0.000 3.379 1044 G HA2 0.274 4.231 3.960 -0.006 0.000 0.253 1044 G HA3 0.274 4.231 3.960 -0.006 0.000 0.253 1044 G C 0.190 175.175 174.900 0.143 0.000 1.262 1044 G CA 0.083 45.276 45.100 0.154 0.000 0.959 1044 G HN 0.710 nan 8.290 nan 0.000 0.524 1045 A N 0.668 123.595 122.820 0.178 0.000 3.030 1045 A HA 0.643 4.960 4.320 -0.006 0.000 0.273 1045 A C 1.725 179.395 177.584 0.142 0.000 1.841 1045 A CA 0.555 52.672 52.037 0.133 0.000 1.479 1045 A CB -0.372 18.705 19.000 0.129 0.000 1.048 1045 A HN 0.516 nan 8.150 nan 0.000 0.612 1046 A N 1.117 124.025 122.820 0.145 0.000 1.821 1046 A HA -0.112 4.204 4.320 -0.006 0.000 0.215 1046 A C 1.943 179.607 177.584 0.133 0.000 1.214 1046 A CA 1.555 53.677 52.037 0.142 0.000 0.608 1046 A CB -0.991 18.112 19.000 0.171 0.000 0.862 1046 A HN 0.811 nan 8.150 nan 0.000 0.448 1047 H N -0.635 118.447 119.070 0.020 0.000 2.353 1047 H HA -0.127 4.426 4.556 -0.006 0.000 0.298 1047 H C 2.355 177.681 175.328 -0.002 0.000 1.103 1047 H CA 1.886 57.936 56.048 0.004 0.000 1.293 1047 H CB -0.359 29.400 29.762 -0.005 0.000 1.372 1047 H HN 0.476 nan 8.280 nan 0.000 0.501 1048 T N 1.373 116.008 114.554 0.134 0.000 2.699 1048 T HA -0.173 4.173 4.350 -0.006 0.000 0.268 1048 T C 2.202 176.917 174.700 0.025 0.000 1.036 1048 T CA 1.208 63.337 62.100 0.050 0.000 1.147 1048 T CB -0.430 68.458 68.868 0.033 0.000 0.862 1048 T HN 0.191 nan 8.240 nan 0.000 0.446 1049 L N 0.404 121.675 121.223 0.080 0.000 2.093 1049 L HA -0.068 4.269 4.340 -0.006 0.000 0.208 1049 L C 2.723 179.627 176.870 0.057 0.000 1.085 1049 L CA 1.495 56.403 54.840 0.114 0.000 0.755 1049 L CB -0.332 41.824 42.059 0.162 0.000 0.904 1049 L HN 0.261 nan 8.230 nan 0.000 0.435 1050 Q N -0.288 119.519 119.800 0.011 0.000 2.046 1050 Q HA -0.268 4.069 4.340 -0.006 0.000 0.200 1050 Q C 2.009 177.987 176.000 -0.036 0.000 0.975 1050 Q CA 2.020 57.804 55.803 -0.033 0.000 0.836 1050 Q CB -0.043 28.630 28.738 -0.109 0.000 0.896 1050 Q HN 0.571 nan 8.270 nan 0.000 0.428 1051 E N -0.179 119.999 120.200 -0.037 0.000 2.097 1051 E HA -0.238 4.108 4.350 -0.006 0.000 0.196 1051 E C 1.847 178.399 176.600 -0.079 0.000 1.000 1051 E CA 1.557 57.929 56.400 -0.047 0.000 0.804 1051 E CB -0.045 29.632 29.700 -0.038 0.000 0.740 1051 E HN 0.312 nan 8.360 nan 0.000 0.454 1052 M N -0.140 119.378 119.600 -0.136 0.000 2.358 1052 M HA -0.099 4.378 4.480 -0.006 0.000 0.264 1052 M C 1.431 177.698 176.300 -0.056 0.000 1.064 1052 M CA 1.009 56.170 55.300 -0.232 0.000 1.093 1052 M CB 0.243 32.496 32.600 -0.578 0.000 1.401 1052 M HN 0.065 nan 8.290 nan 0.000 0.440 1053 L N -1.957 119.266 121.223 0.000 0.000 2.590 1053 L HA 0.143 4.479 4.340 -0.006 0.000 0.227 1053 L C 1.222 178.094 176.870 0.002 0.000 1.099 1053 L CA 0.822 55.683 54.840 0.035 0.000 0.872 1053 L CB -0.887 41.202 42.059 0.051 0.000 1.088 1053 L HN 0.266 nan 8.230 nan 0.000 0.479 1054 T N -1.290 113.250 114.554 -0.022 0.000 3.409 1054 T HA 0.197 4.544 4.350 -0.006 0.000 0.188 1054 T C 1.750 176.431 174.700 -0.031 0.000 0.929 1054 T CA -0.264 61.815 62.100 -0.035 0.000 1.184 1054 T CB 0.152 68.988 68.868 -0.053 0.000 1.570 1054 T HN -0.087 nan 8.240 nan 0.000 0.367 1055 L N 0.897 122.103 121.223 -0.027 0.000 2.129 1055 L HA -0.091 4.245 4.340 -0.006 0.000 0.212 1055 L C 1.948 178.820 176.870 0.003 0.000 1.087 1055 L CA 1.636 56.469 54.840 -0.011 0.000 0.757 1055 L CB -0.652 41.406 42.059 -0.002 0.000 0.896 1055 L HN 0.276 nan 8.230 nan 0.000 0.434 1056 K N -1.684 118.713 120.400 -0.006 0.000 2.374 1056 K HA 0.067 4.384 4.320 -0.006 0.000 0.196 1056 K C 1.482 178.109 176.600 0.045 0.000 1.023 1056 K CA 0.261 56.556 56.287 0.013 0.000 1.103 1056 K CB 0.614 33.092 32.500 -0.037 0.000 0.848 1056 K HN 0.060 nan 8.250 nan 0.000 0.528 1057 S N -0.884 114.835 115.700 0.031 0.000 2.961 1057 S HA -0.027 4.439 4.470 -0.006 0.000 0.253 1057 S C 0.360 174.971 174.600 0.018 0.000 1.029 1057 S CA 0.047 58.285 58.200 0.063 0.000 1.087 1057 S CB 0.042 63.278 63.200 0.061 0.000 0.932 1057 S HN 0.208 nan 8.310 nan 0.000 0.418 1058 D N 1.114 121.507 120.400 -0.012 0.000 2.482 1058 D HA 0.231 4.867 4.640 -0.006 0.000 0.251 1058 D C -0.044 176.218 176.300 -0.064 0.000 1.073 1058 D CA 0.156 54.139 54.000 -0.028 0.000 0.892 1058 D CB 0.176 40.983 40.800 0.011 0.000 1.202 1058 D HN 0.248 nan 8.370 nan 0.000 0.496 1059 D N 0.939 121.302 120.400 -0.061 0.000 2.357 1059 D HA 0.025 4.662 4.640 -0.006 0.000 0.265 1059 D C 1.624 177.865 176.300 -0.098 0.000 1.334 1059 D CA 0.125 54.083 54.000 -0.069 0.000 0.984 1059 D CB -0.005 40.759 40.800 -0.059 0.000 1.077 1059 D HN 0.221 nan 8.370 nan 0.000 0.514 1060 I N 2.343 122.851 120.570 -0.103 0.000 2.039 1060 I HA -0.262 3.904 4.170 -0.006 0.000 0.233 1060 I C 2.294 178.357 176.117 -0.089 0.000 1.040 1060 I CA 1.084 62.307 61.300 -0.129 0.000 1.308 1060 I CB -0.217 37.730 38.000 -0.090 0.000 1.035 1060 I HN 0.519 nan 8.210 nan 0.000 0.392 1061 E N 0.890 121.059 120.200 -0.052 0.000 2.187 1061 E HA -0.226 4.121 4.350 -0.006 0.000 0.199 1061 E C 2.021 178.605 176.600 -0.026 0.000 1.004 1061 E CA 1.372 57.754 56.400 -0.030 0.000 0.813 1061 E CB -0.198 29.490 29.700 -0.019 0.000 0.736 1061 E HN 0.598 nan 8.360 nan 0.000 0.468 1062 G N 1.955 110.733 108.800 -0.037 0.000 2.666 1062 G HA2 -0.355 3.601 3.960 -0.006 0.000 0.215 1062 G HA3 -0.355 3.601 3.960 -0.006 0.000 0.215 1062 G C 1.516 176.413 174.900 -0.005 0.000 1.294 1062 G CA 1.551 46.636 45.100 -0.025 0.000 0.811 1062 G HN 0.403 nan 8.290 nan 0.000 0.594 1063 R N 0.586 121.075 120.500 -0.019 0.000 2.140 1063 R HA -0.216 4.121 4.340 -0.006 0.000 0.250 1063 R C 2.125 178.458 176.300 0.056 0.000 1.150 1063 R CA 1.982 58.093 56.100 0.018 0.000 0.966 1063 R CB -0.964 29.325 30.300 -0.018 0.000 0.869 1063 R HN 0.425 nan 8.270 nan 0.000 0.445 1064 N N 1.041 119.753 118.700 0.021 0.000 2.028 1064 N HA -0.134 4.602 4.740 -0.006 0.000 0.194 1064 N C 1.942 177.512 175.510 0.100 0.000 1.050 1064 N CA 2.221 55.303 53.050 0.055 0.000 0.848 1064 N CB -0.355 38.143 38.487 0.018 0.000 1.038 1064 N HN 0.380 nan 8.380 nan 0.000 0.423 1065 A N 0.257 123.111 122.820 0.058 0.000 1.940 1065 A HA -0.043 4.274 4.320 -0.006 0.000 0.219 1065 A C 2.298 179.920 177.584 0.064 0.000 1.176 1065 A CA 2.058 54.126 52.037 0.052 0.000 0.631 1065 A CB -1.284 17.730 19.000 0.025 0.000 0.814 1065 A HN 0.490 nan 8.150 nan 0.000 0.446 1066 A N -1.022 121.842 122.820 0.073 0.000 1.841 1066 A HA -0.124 4.193 4.320 -0.006 0.000 0.216 1066 A C 2.095 179.747 177.584 0.113 0.000 1.199 1066 A CA 1.773 53.856 52.037 0.077 0.000 0.621 1066 A CB -1.118 17.928 19.000 0.077 0.000 0.835 1066 A HN 0.718 nan 8.150 nan 0.000 0.445 1067 Y N 0.590 120.900 120.300 0.017 0.000 1.993 1067 Y HA -0.335 4.212 4.550 -0.006 0.000 0.267 1067 Y C 2.481 178.390 175.900 0.015 0.000 1.155 1067 Y CA 2.697 60.810 58.100 0.021 0.000 1.105 1067 Y CB -0.728 37.752 38.460 0.032 0.000 0.960 1067 Y HN 0.568 nan 8.280 nan 0.000 0.486 1068 E N 0.048 120.312 120.200 0.106 0.000 2.086 1068 E HA -0.354 3.993 4.350 -0.006 0.000 0.205 1068 E C 2.251 178.807 176.600 -0.075 0.000 1.027 1068 E CA 1.659 58.049 56.400 -0.018 0.000 0.830 1068 E CB -0.529 29.213 29.700 0.070 0.000 0.751 1068 E HN 0.586 nan 8.360 nan 0.000 0.456 1069 A N 1.015 123.820 122.820 -0.024 0.000 1.927 1069 A HA -0.221 4.095 4.320 -0.006 0.000 0.220 1069 A C 2.222 179.769 177.584 -0.061 0.000 1.185 1069 A CA 1.992 54.011 52.037 -0.030 0.000 0.639 1069 A CB -0.761 18.236 19.000 -0.005 0.000 0.820 1069 A HN 0.409 nan 8.150 nan 0.000 0.451 1070 I N 0.051 120.569 120.570 -0.088 0.000 2.163 1070 I HA -0.210 3.956 4.170 -0.006 0.000 0.240 1070 I C 2.001 178.027 176.117 -0.152 0.000 1.081 1070 I CA 0.866 62.102 61.300 -0.107 0.000 1.353 1070 I CB -0.442 37.493 38.000 -0.108 0.000 1.054 1070 I HN 0.216 nan 8.210 nan 0.000 0.407 1071 I N 1.242 121.655 120.570 -0.262 0.000 2.479 1071 I HA -0.279 3.887 4.170 -0.006 0.000 0.258 1071 I C 2.062 178.095 176.117 -0.139 0.000 1.165 1071 I CA 1.818 62.962 61.300 -0.261 0.000 1.422 1071 I CB -1.273 36.502 38.000 -0.375 0.000 1.087 1071 I HN 0.384 nan 8.210 nan 0.000 0.441 1072 K N 0.012 120.349 120.400 -0.105 0.000 2.352 1072 K HA 0.274 4.590 4.320 -0.006 0.000 0.194 1072 K C 1.151 177.721 176.600 -0.050 0.000 1.038 1072 K CA 0.689 56.938 56.287 -0.064 0.000 1.023 1072 K CB 0.468 32.939 32.500 -0.048 0.000 0.840 1072 K HN 0.380 nan 8.250 nan 0.000 0.519 1073 G N 2.819 111.587 108.800 -0.054 0.000 2.173 1073 G HA2 -0.199 3.757 3.960 -0.006 0.000 0.174 1073 G HA3 -0.199 3.757 3.960 -0.006 0.000 0.174 1073 G C -0.552 174.329 174.900 -0.032 0.000 1.025 1073 G CA -0.079 44.997 45.100 -0.040 0.000 0.706 1073 G HN 0.424 nan 8.290 nan 0.000 0.499 1074 E N 0.102 120.283 120.200 -0.032 0.000 2.277 1074 E HA 0.624 4.971 4.350 -0.006 0.000 0.266 1074 E C -0.861 175.727 176.600 -0.020 0.000 0.901 1074 E CA -1.151 55.235 56.400 -0.023 0.000 0.782 1074 E CB 1.816 31.505 29.700 -0.018 0.000 1.228 1074 E HN -0.060 nan 8.360 nan 0.000 0.424 1075 D N 1.311 121.702 120.400 -0.015 0.000 2.419 1075 D HA 0.009 4.646 4.640 -0.006 0.000 0.236 1075 D C 0.113 176.411 176.300 -0.004 0.000 1.165 1075 D CA -0.213 53.781 54.000 -0.010 0.000 0.882 1075 D CB 1.123 41.917 40.800 -0.009 0.000 1.201 1075 D HN 0.392 nan 8.370 nan 0.000 0.443 1076 V N 0.817 120.732 119.914 0.003 0.000 2.999 1076 V HA 0.315 4.432 4.120 -0.006 0.000 0.307 1076 V C -2.088 174.014 176.094 0.014 0.000 1.084 1076 V CA -1.231 61.075 62.300 0.010 0.000 1.155 1076 V CB -0.072 31.761 31.823 0.018 0.000 0.975 1076 V HN 0.520 nan 8.190 nan 0.000 0.490 1077 P HA 0.199 nan 4.420 nan 0.000 0.272 1077 P C -0.483 176.823 177.300 0.011 0.000 1.254 1077 P CA -0.265 62.841 63.100 0.010 0.000 0.795 1077 P CB 0.294 31.999 31.700 0.007 0.000 1.022 1078 E N 1.115 121.318 120.200 0.005 0.000 2.289 1078 E HA 0.225 4.572 4.350 -0.006 0.000 0.278 1078 E C -1.965 174.620 176.600 -0.025 0.000 1.032 1078 E CA -1.758 54.640 56.400 -0.003 0.000 0.854 1078 E CB -0.753 28.945 29.700 -0.003 0.000 1.046 1078 E HN 0.313 nan 8.360 nan 0.000 0.409 1079 P HA -0.110 nan 4.420 nan 0.000 0.270 1079 P C -0.459 176.800 177.300 -0.069 0.000 1.181 1079 P CA 0.740 63.806 63.100 -0.058 0.000 0.767 1079 P CB 0.552 32.203 31.700 -0.082 0.000 0.799 1080 S N -0.224 115.433 115.700 -0.072 0.000 2.823 1080 S HA 0.434 4.901 4.470 -0.006 0.000 0.316 1080 S C -0.511 174.020 174.600 -0.115 0.000 1.116 1080 S CA -0.828 57.322 58.200 -0.083 0.000 0.911 1080 S CB 0.905 64.070 63.200 -0.060 0.000 1.276 1080 S HN 0.169 nan 8.310 nan 0.000 0.565 1081 V N 3.458 123.292 119.914 -0.133 0.000 2.529 1081 V HA 0.179 4.296 4.120 -0.006 0.000 0.292 1081 V C -2.331 173.697 176.094 -0.110 0.000 1.028 1081 V CA -1.056 61.136 62.300 -0.180 0.000 1.074 1081 V CB -0.120 31.578 31.823 -0.208 0.000 0.958 1081 V HN 0.590 nan 8.190 nan 0.000 0.481 1082 P HA 0.138 nan 4.420 nan 0.000 0.271 1082 P C 0.778 178.102 177.300 0.039 0.000 1.216 1082 P CA -0.198 62.892 63.100 -0.016 0.000 0.776 1082 P CB 0.761 32.467 31.700 0.011 0.000 0.881 1083 E N 1.562 121.777 120.200 0.024 0.000 2.051 1083 E HA -0.170 4.177 4.350 -0.006 0.000 0.192 1083 E C 1.983 178.629 176.600 0.076 0.000 0.991 1083 E CA 1.952 58.378 56.400 0.044 0.000 0.799 1083 E CB -0.806 28.906 29.700 0.020 0.000 0.748 1083 E HN 0.560 nan 8.360 nan 0.000 0.449 1084 S N 0.574 116.318 115.700 0.073 0.000 2.389 1084 S HA -0.259 4.207 4.470 -0.006 0.000 0.231 1084 S C 2.048 176.695 174.600 0.079 0.000 1.052 1084 S CA 1.591 59.833 58.200 0.070 0.000 1.053 1084 S CB -0.855 62.390 63.200 0.074 0.000 0.886 1084 S HN 0.293 nan 8.310 nan 0.000 0.456 1085 F N 2.537 122.465 119.950 -0.037 0.000 2.060 1085 F HA 0.077 4.600 4.527 -0.006 0.000 0.295 1085 F C 2.734 178.489 175.800 -0.075 0.000 1.120 1085 F CA 1.573 59.538 58.000 -0.059 0.000 1.205 1085 F CB -0.257 38.688 39.000 -0.091 0.000 0.986 1085 F HN 0.065 nan 8.300 nan 0.000 0.470 1086 R N -0.182 120.401 120.500 0.139 0.000 2.083 1086 R HA -0.164 4.172 4.340 -0.006 0.000 0.237 1086 R C 2.095 178.473 176.300 0.130 0.000 1.137 1086 R CA 1.755 57.851 56.100 -0.006 0.000 0.951 1086 R CB -0.982 29.300 30.300 -0.030 0.000 0.851 1086 R HN 0.235 nan 8.270 nan 0.000 0.434 1087 V N 1.762 121.734 119.914 0.097 0.000 2.380 1087 V HA -0.280 3.836 4.120 -0.006 0.000 0.251 1087 V C 2.262 178.368 176.094 0.020 0.000 1.063 1087 V CA 1.854 64.199 62.300 0.075 0.000 1.055 1087 V CB -0.502 31.350 31.823 0.048 0.000 0.657 1087 V HN 0.320 nan 8.190 nan 0.000 0.455 1088 L N -0.333 120.853 121.223 -0.062 0.000 1.973 1088 L HA -0.143 4.193 4.340 -0.006 0.000 0.208 1088 L C 2.450 179.241 176.870 -0.132 0.000 1.073 1088 L CA 1.757 56.515 54.840 -0.137 0.000 0.746 1088 L CB -0.286 41.610 42.059 -0.273 0.000 0.891 1088 L HN 0.140 nan 8.230 nan 0.000 0.433 1089 V N 0.253 120.050 119.914 -0.195 0.000 2.278 1089 V HA -0.354 3.763 4.120 -0.006 0.000 0.251 1089 V C 2.716 178.840 176.094 0.051 0.000 1.062 1089 V CA 1.983 64.236 62.300 -0.078 0.000 1.038 1089 V CB -0.889 30.945 31.823 0.019 0.000 0.646 1089 V HN 0.434 nan 8.190 nan 0.000 0.447 1090 K N -0.118 120.361 120.400 0.133 0.000 2.097 1090 K HA -0.151 4.166 4.320 -0.006 0.000 0.205 1090 K C 2.113 178.725 176.600 0.020 0.000 1.050 1090 K CA 1.301 57.632 56.287 0.073 0.000 0.938 1090 K CB -0.366 32.179 32.500 0.074 0.000 0.718 1090 K HN 0.603 nan 8.250 nan 0.000 0.442 1091 E N 0.663 120.869 120.200 0.010 0.000 2.097 1091 E HA -0.164 4.183 4.350 -0.006 0.000 0.196 1091 E C 2.071 178.663 176.600 -0.014 0.000 1.000 1091 E CA 1.018 57.414 56.400 -0.006 0.000 0.804 1091 E CB -0.100 29.590 29.700 -0.017 0.000 0.740 1091 E HN 0.182 nan 8.360 nan 0.000 0.454 1092 L N 0.526 121.736 121.223 -0.022 0.000 2.109 1092 L HA -0.166 4.170 4.340 -0.006 0.000 0.207 1092 L C 2.507 179.371 176.870 -0.011 0.000 1.086 1092 L CA 0.858 55.684 54.840 -0.023 0.000 0.760 1092 L CB -0.231 41.806 42.059 -0.038 0.000 0.910 1092 L HN 0.131 nan 8.230 nan 0.000 0.437 1093 Q N -0.232 119.566 119.800 -0.003 0.000 2.224 1093 Q HA -0.166 4.170 4.340 -0.006 0.000 0.203 1093 Q C 2.430 178.424 176.000 -0.010 0.000 0.970 1093 Q CA 1.315 57.116 55.803 -0.003 0.000 0.865 1093 Q CB -0.144 28.592 28.738 -0.004 0.000 0.922 1093 Q HN 0.561 nan 8.270 nan 0.000 0.445 1094 A N 0.659 123.472 122.820 -0.011 0.000 1.940 1094 A HA -0.128 4.188 4.320 -0.006 0.000 0.219 1094 A C 0.972 178.550 177.584 -0.010 0.000 1.176 1094 A CA 0.936 52.966 52.037 -0.012 0.000 0.631 1094 A CB -0.299 18.695 19.000 -0.010 0.000 0.814 1094 A HN 0.164 nan 8.150 nan 0.000 0.446 1095 L N -2.364 118.853 121.223 -0.009 0.000 2.439 1095 L HA 0.503 4.839 4.340 -0.006 0.000 0.259 1095 L C 1.826 178.692 176.870 -0.007 0.000 1.129 1095 L CA 0.555 55.390 54.840 -0.008 0.000 0.803 1095 L CB 0.285 42.339 42.059 -0.008 0.000 1.161 1095 L HN 0.224 nan 8.230 nan 0.000 0.462 1096 A N 1.607 124.424 122.820 -0.005 0.000 1.903 1096 A HA -0.098 4.219 4.320 -0.006 0.000 0.219 1096 A C 0.891 178.474 177.584 -0.002 0.000 1.191 1096 A CA 1.066 53.100 52.037 -0.004 0.000 0.638 1096 A CB -0.879 18.119 19.000 -0.003 0.000 0.823 1096 A HN 0.499 nan 8.150 nan 0.000 0.451 1097 L N 1.000 122.222 121.223 -0.003 0.000 2.628 1097 L HA -0.020 4.317 4.340 -0.006 0.000 0.292 1097 L C 0.272 177.143 176.870 0.002 0.000 1.250 1097 L CA 0.796 55.636 54.840 -0.001 0.000 0.892 1097 L CB -0.744 41.312 42.059 -0.005 0.000 1.138 1097 L HN 0.447 nan 8.230 nan 0.000 0.502 1098 D N 2.939 123.343 120.400 0.007 0.000 2.414 1098 D HA 0.296 4.933 4.640 -0.006 0.000 0.232 1098 D C -0.994 175.319 176.300 0.020 0.000 1.070 1098 D CA -0.371 53.638 54.000 0.015 0.000 0.839 1098 D CB 1.485 42.295 40.800 0.017 0.000 1.079 1098 D HN 0.193 nan 8.370 nan 0.000 0.521 1099 V N 4.852 124.782 119.914 0.027 0.000 2.318 1099 V HA 0.296 4.412 4.120 -0.006 0.000 0.271 1099 V C 0.106 176.236 176.094 0.061 0.000 1.030 1099 V CA -0.578 61.739 62.300 0.028 0.000 0.844 1099 V CB 1.017 32.837 31.823 -0.005 0.000 1.015 1099 V HN 0.528 nan 8.190 nan 0.000 0.460 1100 Q N 3.198 123.035 119.800 0.062 0.000 2.330 1100 Q HA 0.511 4.847 4.340 -0.006 0.000 0.269 1100 Q C 0.233 176.282 176.000 0.080 0.000 1.022 1100 Q CA -0.561 55.290 55.803 0.079 0.000 0.796 1100 Q CB 2.065 30.841 28.738 0.064 0.000 1.271 1100 Q HN 0.902 nan 8.270 nan 0.000 0.450 1101 T N 0.581 115.194 114.554 0.099 0.000 2.748 1101 T HA 0.509 4.856 4.350 -0.006 0.000 0.304 1101 T C -0.037 174.696 174.700 0.055 0.000 1.041 1101 T CA -0.369 61.782 62.100 0.085 0.000 1.033 1101 T CB 0.586 69.502 68.868 0.081 0.000 0.995 1101 T HN 0.432 nan 8.240 nan 0.000 0.536 1102 L N 0.042 121.289 121.223 0.039 0.000 2.403 1102 L HA 0.562 4.899 4.340 -0.006 0.000 0.253 1102 L C -0.022 176.857 176.870 0.016 0.000 1.045 1102 L CA -0.896 53.961 54.840 0.028 0.000 0.845 1102 L CB 2.188 44.263 42.059 0.027 0.000 1.447 1102 L HN 0.805 nan 8.230 nan 0.000 0.411 1103 D N -0.511 119.897 120.400 0.013 0.000 2.446 1103 D HA 0.117 4.753 4.640 -0.006 0.000 0.288 1103 D C 0.865 177.169 176.300 0.006 0.000 1.195 1103 D CA 0.001 54.005 54.000 0.007 0.000 1.095 1103 D CB 0.732 41.537 40.800 0.008 0.000 1.153 1103 D HN 0.569 nan 8.370 nan 0.000 0.568 1104 E N -0.059 120.144 120.200 0.004 0.000 1.998 1104 E HA -0.068 4.279 4.350 -0.006 0.000 0.196 1104 E C -0.005 176.599 176.600 0.007 0.000 1.003 1104 E CA 1.463 57.865 56.400 0.004 0.000 0.829 1104 E CB -0.014 29.688 29.700 0.004 0.000 0.777 1104 E HN 0.231 nan 8.360 nan 0.000 0.460 1105 K N 1.392 121.797 120.400 0.007 0.000 2.185 1105 K HA 0.088 4.405 4.320 -0.006 0.000 0.271 1105 K C -0.675 175.931 176.600 0.010 0.000 1.013 1105 K CA -0.353 55.939 56.287 0.008 0.000 0.943 1105 K CB 0.566 33.071 32.500 0.008 0.000 0.998 1105 K HN 0.137 nan 8.250 nan 0.000 0.468 1106 D N 2.728 123.135 120.400 0.011 0.000 2.426 1106 D HA -0.054 4.582 4.640 -0.006 0.000 0.271 1106 D C -0.588 175.721 176.300 0.015 0.000 1.376 1106 D CA 0.937 54.945 54.000 0.014 0.000 1.149 1106 D CB -0.344 40.465 40.800 0.014 0.000 1.118 1106 D HN 0.364 nan 8.370 nan 0.000 0.529 1107 N N 1.471 120.181 118.700 0.016 0.000 2.329 1107 N HA 0.357 5.094 4.740 -0.006 0.000 0.282 1107 N C -2.767 172.755 175.510 0.021 0.000 1.198 1107 N CA -1.755 51.305 53.050 0.017 0.000 0.790 1107 N CB 1.999 40.495 38.487 0.014 0.000 1.579 1107 N HN -0.162 nan 8.380 nan 0.000 0.475 1108 P HA 0.078 nan 4.420 nan 0.000 0.270 1108 P C -1.047 176.269 177.300 0.026 0.000 1.221 1108 P CA -0.097 63.021 63.100 0.030 0.000 0.788 1108 P CB 0.534 32.254 31.700 0.033 0.000 0.904 1109 V N 0.718 120.651 119.914 0.031 0.000 2.924 1109 V HA 0.241 4.358 4.120 -0.006 0.000 0.300 1109 V C -0.950 175.164 176.094 0.033 0.000 1.227 1109 V CA -0.508 61.805 62.300 0.021 0.000 0.954 1109 V CB 2.373 34.200 31.823 0.007 0.000 1.055 1109 V HN 0.445 nan 8.190 nan 0.000 0.429 1110 D N 3.146 123.563 120.400 0.027 0.000 2.329 1110 D HA 0.458 5.094 4.640 -0.006 0.000 0.232 1110 D C 0.885 177.192 176.300 0.012 0.000 1.088 1110 D CA -0.323 53.706 54.000 0.049 0.000 0.835 1110 D CB 1.678 42.515 40.800 0.062 0.000 1.078 1110 D HN 0.553 nan 8.370 nan 0.000 0.495 1111 I N 0.331 120.897 120.570 -0.007 0.000 2.260 1111 I HA 0.115 4.281 4.170 -0.006 0.000 0.237 1111 I C 0.765 176.799 176.117 -0.139 0.000 1.075 1111 I CA 0.333 61.546 61.300 -0.144 0.000 1.376 1111 I CB -0.457 37.394 38.000 -0.249 0.000 1.107 1111 I HN 0.046 nan 8.210 nan 0.000 0.420 1112 F N 4.763 124.744 119.950 0.052 0.000 2.613 1112 F HA 0.110 4.634 4.527 -0.006 0.000 0.341 1112 F C 0.786 176.599 175.800 0.021 0.000 1.288 1112 F CA -0.759 57.263 58.000 0.036 0.000 1.103 1112 F CB -0.566 38.455 39.000 0.036 0.000 1.423 1112 F HN 0.215 nan 8.300 nan 0.000 0.651 1113 E N 1.945 122.232 120.200 0.144 0.000 2.463 1113 E HA 0.062 4.408 4.350 -0.006 0.000 0.248 1113 E C 1.254 177.909 176.600 0.092 0.000 1.106 1113 E CA 0.656 57.111 56.400 0.091 0.000 0.946 1113 E CB 0.222 29.950 29.700 0.046 0.000 0.971 1113 E HN 0.865 nan 8.360 nan 0.000 0.478 1114 G N 3.393 112.243 108.800 0.082 0.000 2.257 1114 G HA2 -0.366 3.591 3.960 -0.006 0.000 0.267 1114 G HA3 -0.366 3.591 3.960 -0.006 0.000 0.267 1114 G C 0.656 175.586 174.900 0.050 0.000 0.984 1114 G CA 0.615 45.749 45.100 0.057 0.000 0.626 1114 G HN 0.497 nan 8.290 nan 0.000 0.540 1115 L N -0.048 121.216 121.223 0.069 0.000 2.567 1115 L HA 0.669 5.005 4.340 -0.006 0.000 0.225 1115 L C 2.749 179.602 176.870 -0.028 0.000 1.119 1115 L CA 1.661 56.516 54.840 0.025 0.000 0.871 1115 L CB -0.360 41.721 42.059 0.037 0.000 1.036 1115 L HN 0.298 nan 8.230 nan 0.000 0.459 1116 A N -0.278 122.537 122.820 -0.008 0.000 1.943 1116 A HA 0.089 4.406 4.320 -0.006 0.000 0.213 1116 A C 1.547 179.113 177.584 -0.029 0.000 1.181 1116 A CA 0.558 52.557 52.037 -0.064 0.000 0.653 1116 A CB -0.544 18.451 19.000 -0.009 0.000 0.833 1116 A HN 0.412 nan 8.150 nan 0.000 0.451 1117 S N 0.800 116.502 115.700 0.003 0.000 2.559 1117 S HA 0.237 4.704 4.470 -0.006 0.000 0.282 1117 S C 0.013 174.607 174.600 -0.010 0.000 1.336 1117 S CA 0.036 58.238 58.200 0.003 0.000 1.037 1117 S CB 0.121 63.329 63.200 0.013 0.000 0.853 1117 S HN 0.610 nan 8.310 nan 0.000 0.523 1118 K N 1.209 121.604 120.400 -0.009 0.000 2.159 1118 K HA 0.642 4.958 4.320 -0.006 0.000 0.266 1118 K C -0.311 176.284 176.600 -0.008 0.000 0.975 1118 K CA -0.945 55.334 56.287 -0.014 0.000 0.865 1118 K CB 0.683 33.174 32.500 -0.015 0.000 1.087 1118 K HN 0.623 nan 8.250 nan 0.000 0.446 1119 R N 0.000 120.494 120.500 -0.010 0.000 2.786 1119 R HA 0.000 4.336 4.340 -0.006 0.000 0.208 1119 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 1119 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535