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 3eql_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 0.000 176.277 176.300 -0.039 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.034 0.000 1.302 2 E N 0.564 120.719 120.200 -0.076 0.000 2.458 2 E HA 0.858 5.207 4.350 -0.001 0.000 0.278 2 E C -1.503 175.014 176.600 -0.137 0.000 1.004 2 E CA -0.981 55.372 56.400 -0.078 0.000 0.823 2 E CB 2.983 32.646 29.700 -0.063 0.000 1.396 2 E HN 0.579 nan 8.360 nan 0.000 0.463 3 I N 0.517 121.023 120.570 -0.108 0.000 2.571 3 I HA 0.320 4.490 4.170 -0.001 0.000 0.289 3 I C -1.151 174.925 176.117 -0.070 0.000 1.115 3 I CA -0.719 60.508 61.300 -0.123 0.000 1.045 3 I CB 2.170 40.120 38.000 -0.085 0.000 1.238 3 I HN 0.311 nan 8.210 nan 0.000 0.424 4 K N 6.531 126.909 120.400 -0.036 0.000 2.413 4 K HA 0.562 4.882 4.320 -0.001 0.000 0.257 4 K C -1.004 175.495 176.600 -0.167 0.000 0.946 4 K CA -0.804 55.444 56.287 -0.064 0.000 0.823 4 K CB 2.339 34.824 32.500 -0.025 0.000 1.109 4 K HN 0.577 nan 8.250 nan 0.000 0.427 5 R N 2.184 122.575 120.500 -0.181 0.000 2.480 5 R HA 0.424 4.764 4.340 -0.001 0.000 0.306 5 R C -0.830 175.408 176.300 -0.104 0.000 0.958 5 R CA -0.739 55.310 56.100 -0.085 0.000 0.861 5 R CB 0.508 30.849 30.300 0.068 0.000 1.171 5 R HN 0.145 nan 8.270 nan 0.000 0.445 6 F N 1.117 121.125 119.950 0.096 0.000 2.399 6 F HA 0.358 4.885 4.527 -0.000 0.000 0.313 6 F C 1.634 177.477 175.800 0.072 0.000 1.202 6 F CA -0.039 58.008 58.000 0.077 0.000 1.192 6 F CB 0.183 39.225 39.000 0.070 0.000 1.256 6 F HN 0.843 nan 8.300 nan 0.000 0.558 7 G N 2.413 111.381 108.800 0.279 0.000 2.787 7 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.343 7 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.343 7 G C 0.283 175.271 174.900 0.147 0.000 0.149 7 G CA -0.264 44.940 45.100 0.173 0.000 1.222 7 G HN 0.539 nan 8.290 nan 0.000 0.477 8 R N 1.062 121.629 120.500 0.111 0.000 2.637 8 R HA 0.486 4.825 4.340 -0.001 0.000 0.269 8 R C 0.851 177.204 176.300 0.089 0.000 1.089 8 R CA -0.284 55.874 56.100 0.098 0.000 1.177 8 R CB 0.786 31.132 30.300 0.076 0.000 1.091 8 R HN 0.698 nan 8.270 nan 0.000 0.540 9 I N -0.940 119.682 120.570 0.086 0.000 2.439 9 I HA 0.395 4.565 4.170 -0.001 0.000 0.283 9 I C -0.147 176.008 176.117 0.064 0.000 1.023 9 I CA -0.931 60.415 61.300 0.076 0.000 1.100 9 I CB 1.786 39.839 38.000 0.087 0.000 1.238 9 I HN 0.252 nan 8.210 nan 0.000 0.445 10 R N 4.371 124.902 120.500 0.053 0.000 2.543 10 R HA 0.032 4.372 4.340 -0.001 0.000 0.348 10 R C -0.412 175.913 176.300 0.041 0.000 0.981 10 R CA -0.105 56.022 56.100 0.045 0.000 1.019 10 R CB 0.040 30.363 30.300 0.039 0.000 0.944 10 R HN 0.645 nan 8.270 nan 0.000 0.425 11 E N 2.044 122.273 120.200 0.049 0.000 2.271 11 E HA -0.049 4.301 4.350 -0.001 0.000 0.255 11 E C 0.697 177.323 176.600 0.043 0.000 1.177 11 E CA -0.054 56.377 56.400 0.052 0.000 0.946 11 E CB 0.593 30.337 29.700 0.072 0.000 1.009 11 E HN 0.234 nan 8.360 nan 0.000 0.451 12 V N 3.917 123.843 119.914 0.019 0.000 2.535 12 V HA 0.076 4.195 4.120 -0.001 0.000 0.246 12 V C 0.749 176.865 176.094 0.037 0.000 1.045 12 V CA 1.255 63.566 62.300 0.018 0.000 1.058 12 V CB -0.170 31.649 31.823 -0.007 0.000 0.689 12 V HN 0.758 nan 8.190 nan 0.000 0.461 13 I N -2.707 117.896 120.570 0.055 0.000 2.722 13 I HA 0.620 4.790 4.170 -0.001 0.000 0.295 13 I C -2.966 173.299 176.117 0.246 0.000 1.161 13 I CA -2.429 58.945 61.300 0.123 0.000 1.032 13 I CB 1.750 39.821 38.000 0.117 0.000 1.244 13 I HN -0.108 nan 8.210 nan 0.000 0.421 14 P HA 0.254 nan 4.420 nan 0.000 0.270 14 P C -0.847 176.521 177.300 0.112 0.000 1.223 14 P CA -0.232 62.957 63.100 0.148 0.000 0.785 14 P CB 0.488 32.226 31.700 0.064 0.000 0.923 15 L N 3.032 124.158 121.223 -0.162 0.000 2.453 15 L HA 0.223 4.562 4.340 -0.001 0.000 0.272 15 L C -1.831 174.843 176.870 -0.326 0.000 1.182 15 L CA -1.233 53.215 54.840 -0.652 0.000 0.858 15 L CB -0.912 40.833 42.059 -0.523 0.000 1.120 15 L HN 0.332 nan 8.230 nan 0.000 0.474 16 P HA 0.134 nan 4.420 nan 0.000 0.271 16 P C -2.555 174.675 177.300 -0.116 0.000 1.244 16 P CA -1.224 61.813 63.100 -0.104 0.000 0.793 16 P CB -0.362 31.324 31.700 -0.023 0.000 0.984 17 P HA 0.043 nan 4.420 nan 0.000 0.265 17 P C 0.449 177.701 177.300 -0.081 0.000 1.222 17 P CA 0.186 63.237 63.100 -0.082 0.000 0.767 17 P CB 0.077 31.736 31.700 -0.068 0.000 0.801 18 L N 3.326 124.497 121.223 -0.086 0.000 1.976 18 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 18 L C 1.981 178.817 176.870 -0.057 0.000 1.071 18 L CA 2.208 57.004 54.840 -0.074 0.000 0.746 18 L CB -1.535 40.480 42.059 -0.073 0.000 0.890 18 L HN 0.298 nan 8.230 nan 0.000 0.432 19 T N -1.088 113.431 114.554 -0.058 0.000 3.215 19 T HA -0.092 4.258 4.350 -0.001 0.000 0.254 19 T C 1.547 176.219 174.700 -0.045 0.000 1.149 19 T CA 0.454 62.523 62.100 -0.050 0.000 1.042 19 T CB -0.265 68.568 68.868 -0.058 0.000 0.966 19 T HN 0.390 nan 8.240 nan 0.000 0.534 20 E N 1.401 121.572 120.200 -0.047 0.000 2.108 20 E HA -0.249 4.101 4.350 -0.001 0.000 0.203 20 E C 1.595 178.179 176.600 -0.027 0.000 1.022 20 E CA 1.606 57.981 56.400 -0.042 0.000 0.823 20 E CB -0.383 29.285 29.700 -0.052 0.000 0.744 20 E HN 0.480 nan 8.360 nan 0.000 0.456 21 I N 1.229 121.785 120.570 -0.024 0.000 2.087 21 I HA -0.364 3.806 4.170 -0.001 0.000 0.240 21 I C 2.741 178.862 176.117 0.007 0.000 1.054 21 I CA 1.927 63.220 61.300 -0.011 0.000 1.311 21 I CB -0.564 37.429 38.000 -0.010 0.000 1.024 21 I HN 0.211 nan 8.210 nan 0.000 0.402 22 Q N -0.240 119.560 119.800 -0.000 0.000 2.212 22 Q HA -0.034 4.305 4.340 -0.001 0.000 0.199 22 Q C 2.434 178.440 176.000 0.010 0.000 0.950 22 Q CA 1.040 56.851 55.803 0.013 0.000 0.863 22 Q CB 0.100 28.830 28.738 -0.013 0.000 0.944 22 Q HN 0.435 nan 8.270 nan 0.000 0.465 23 V N 0.957 120.863 119.914 -0.013 0.000 2.229 23 V HA -0.226 3.894 4.120 -0.001 0.000 0.243 23 V C 1.629 177.748 176.094 0.042 0.000 1.042 23 V CA 1.928 64.222 62.300 -0.011 0.000 1.000 23 V CB -0.347 31.456 31.823 -0.033 0.000 0.637 23 V HN 0.285 nan 8.190 nan 0.000 0.446 24 E N -0.543 119.673 120.200 0.028 0.000 2.489 24 E HA -0.024 4.325 4.350 -0.001 0.000 0.193 24 E C 2.166 178.801 176.600 0.059 0.000 1.057 24 E CA 0.482 56.904 56.400 0.037 0.000 0.866 24 E CB 0.091 29.794 29.700 0.005 0.000 0.916 24 E HN 0.446 nan 8.360 nan 0.000 0.500 25 S N -0.636 115.114 115.700 0.084 0.000 2.406 25 S HA -0.136 4.333 4.470 -0.001 0.000 0.228 25 S C 1.463 176.167 174.600 0.174 0.000 1.020 25 S CA 0.727 58.988 58.200 0.102 0.000 0.965 25 S CB -0.067 63.197 63.200 0.107 0.000 0.798 25 S HN 0.404 nan 8.310 nan 0.000 0.488 26 Y N 2.145 122.472 120.300 0.045 0.000 2.457 26 Y HA 0.227 4.777 4.550 -0.000 0.000 0.292 26 Y C 2.307 178.228 175.900 0.035 0.000 1.125 26 Y CA 0.779 58.919 58.100 0.067 0.000 1.254 26 Y CB -0.220 38.295 38.460 0.092 0.000 1.012 26 Y HN 0.221 nan 8.280 nan 0.000 0.555 27 R N 0.233 120.799 120.500 0.111 0.000 2.061 27 R HA -0.121 4.219 4.340 -0.001 0.000 0.230 27 R C 2.082 178.382 176.300 0.001 0.000 1.140 27 R CA 1.539 57.665 56.100 0.043 0.000 0.940 27 R CB -0.207 30.117 30.300 0.042 0.000 0.839 27 R HN 0.166 nan 8.270 nan 0.000 0.429 28 R N 0.001 120.503 120.500 0.003 0.000 2.235 28 R HA 0.005 4.345 4.340 -0.001 0.000 0.213 28 R C 2.095 178.364 176.300 -0.052 0.000 1.059 28 R CA 0.731 56.823 56.100 -0.013 0.000 0.997 28 R CB -0.034 30.262 30.300 -0.006 0.000 0.884 28 R HN 0.324 nan 8.270 nan 0.000 0.462 29 A N 1.586 124.355 122.820 -0.084 0.000 1.840 29 A HA -0.037 4.283 4.320 -0.001 0.000 0.214 29 A C 0.828 178.255 177.584 -0.260 0.000 1.198 29 A CA 0.812 52.748 52.037 -0.168 0.000 0.608 29 A CB -0.220 18.651 19.000 -0.215 0.000 0.839 29 A HN 0.167 nan 8.150 nan 0.000 0.443 30 L N -2.964 118.074 121.223 -0.308 0.000 2.322 30 L HA 0.599 4.938 4.340 -0.001 0.000 0.281 30 L C 0.170 177.001 176.870 -0.066 0.000 1.014 30 L CA -0.282 54.408 54.840 -0.250 0.000 0.815 30 L CB 1.605 43.460 42.059 -0.340 0.000 1.247 30 L HN 0.310 nan 8.230 nan 0.000 0.421 31 Q N 1.711 121.559 119.800 0.080 0.000 2.201 31 Q HA 0.317 4.657 4.340 -0.001 0.000 0.236 31 Q C 1.430 177.568 176.000 0.230 0.000 0.857 31 Q CA 0.279 56.188 55.803 0.177 0.000 1.025 31 Q CB 0.587 29.471 28.738 0.243 0.000 1.124 31 Q HN 1.030 nan 8.270 nan 0.000 0.473 32 A N 0.573 123.503 122.820 0.182 0.000 1.958 32 A HA -0.265 4.055 4.320 -0.001 0.000 0.221 32 A C 1.617 179.233 177.584 0.053 0.000 1.178 32 A CA 2.113 54.214 52.037 0.106 0.000 0.642 32 A CB -0.423 18.620 19.000 0.071 0.000 0.816 32 A HN 0.558 nan 8.150 nan 0.000 0.453 33 D N -0.895 119.537 120.400 0.055 0.000 2.182 33 D HA -0.060 4.580 4.640 -0.001 0.000 0.201 33 D C 0.411 176.728 176.300 0.027 0.000 0.986 33 D CA 1.448 55.470 54.000 0.036 0.000 0.847 33 D CB -0.033 40.789 40.800 0.037 0.000 0.942 33 D HN 0.311 nan 8.370 nan 0.000 0.467 34 V N -1.223 118.715 119.914 0.040 0.000 2.483 34 V HA 0.493 4.613 4.120 -0.001 0.000 0.297 34 V C -2.390 173.714 176.094 0.017 0.000 1.027 34 V CA -2.200 60.117 62.300 0.028 0.000 0.855 34 V CB 1.466 33.313 31.823 0.041 0.000 0.995 34 V HN -0.179 nan 8.190 nan 0.000 0.424 35 P HA 0.145 nan 4.420 nan 0.000 0.270 35 P C -2.105 175.173 177.300 -0.037 0.000 1.221 35 P CA -0.744 62.302 63.100 -0.091 0.000 0.788 35 P CB 0.005 31.658 31.700 -0.079 0.000 0.904 36 P HA -0.139 nan 4.420 nan 0.000 0.234 36 P C 0.874 178.200 177.300 0.044 0.000 1.162 36 P CA 1.119 64.256 63.100 0.061 0.000 0.759 36 P CB 0.035 31.733 31.700 -0.003 0.000 0.813 37 E N -0.473 119.732 120.200 0.009 0.000 2.299 37 E HA -0.020 4.329 4.350 -0.001 0.000 0.193 37 E C 0.750 177.369 176.600 0.031 0.000 0.998 37 E CA 0.402 56.809 56.400 0.011 0.000 0.851 37 E CB -0.376 29.319 29.700 -0.007 0.000 0.795 37 E HN 0.143 nan 8.360 nan 0.000 0.492 38 K N 0.491 120.919 120.400 0.047 0.000 2.326 38 K HA 0.063 4.383 4.320 -0.001 0.000 0.275 38 K C 1.149 177.792 176.600 0.073 0.000 1.018 38 K CA -0.148 56.172 56.287 0.055 0.000 0.962 38 K CB 0.647 33.184 32.500 0.060 0.000 0.953 38 K HN -0.098 nan 8.250 nan 0.000 0.475 39 R N 2.638 123.172 120.500 0.058 0.000 2.073 39 R HA -0.081 4.258 4.340 -0.001 0.000 0.229 39 R C -0.274 176.064 176.300 0.064 0.000 1.120 39 R CA 1.081 57.215 56.100 0.057 0.000 0.967 39 R CB 0.089 30.415 30.300 0.043 0.000 0.862 39 R HN 0.696 nan 8.270 nan 0.000 0.436 40 E N 1.528 121.763 120.200 0.059 0.000 2.672 40 E HA -0.127 4.223 4.350 -0.001 0.000 0.234 40 E C -0.300 176.336 176.600 0.059 0.000 1.162 40 E CA 0.417 56.847 56.400 0.050 0.000 0.952 40 E CB -0.127 29.598 29.700 0.042 0.000 0.987 40 E HN 0.573 nan 8.360 nan 0.000 0.507 41 N N 0.772 119.504 118.700 0.052 0.000 2.234 41 N HA 0.077 4.817 4.740 -0.001 0.000 0.227 41 N C 0.008 175.530 175.510 0.020 0.000 1.151 41 N CA -0.436 52.646 53.050 0.053 0.000 0.865 41 N CB 0.588 39.124 38.487 0.083 0.000 1.066 41 N HN 0.007 nan 8.380 nan 0.000 0.515 42 V N 0.229 120.146 119.914 0.006 0.000 3.641 42 V HA 0.446 4.566 4.120 -0.001 0.000 0.286 42 V C 1.652 177.721 176.094 -0.042 0.000 1.027 42 V CA 0.270 62.566 62.300 -0.005 0.000 1.032 42 V CB 0.159 31.980 31.823 -0.005 0.000 1.238 42 V HN 0.519 nan 8.190 nan 0.000 0.439 43 G N -0.402 108.375 108.800 -0.039 0.000 2.574 43 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.286 43 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.286 43 G C 0.741 175.599 174.900 -0.069 0.000 1.212 43 G CA 0.413 45.472 45.100 -0.068 0.000 0.979 43 G HN 0.657 nan 8.290 nan 0.000 0.557 44 I N 0.670 121.137 120.570 -0.173 0.000 2.093 44 I HA -0.351 3.819 4.170 -0.001 0.000 0.239 44 I C 2.923 178.957 176.117 -0.139 0.000 1.026 44 I CA 2.970 64.150 61.300 -0.199 0.000 1.295 44 I CB -0.810 36.853 38.000 -0.561 0.000 1.007 44 I HN 0.776 nan 8.210 nan 0.000 0.401 45 Q N 0.556 120.150 119.800 -0.342 0.000 2.112 45 Q HA -0.242 4.098 4.340 -0.001 0.000 0.206 45 Q C 2.240 178.253 176.000 0.022 0.000 0.987 45 Q CA 2.280 57.947 55.803 -0.226 0.000 0.858 45 Q CB -0.081 28.462 28.738 -0.326 0.000 0.905 45 Q HN 0.567 nan 8.270 nan 0.000 0.420 46 A N 0.870 123.692 122.820 0.003 0.000 1.845 46 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 46 A C 2.366 179.984 177.584 0.056 0.000 1.195 46 A CA 1.903 53.968 52.037 0.046 0.000 0.616 46 A CB -1.324 17.692 19.000 0.026 0.000 0.832 46 A HN 0.591 nan 8.150 nan 0.000 0.443 47 A N -1.342 121.500 122.820 0.036 0.000 1.948 47 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 47 A C 2.022 179.614 177.584 0.013 0.000 1.177 47 A CA 1.884 53.922 52.037 0.000 0.000 0.636 47 A CB -0.734 18.274 19.000 0.013 0.000 0.815 47 A HN 0.467 nan 8.150 nan 0.000 0.449 48 F N 0.010 119.881 119.950 -0.130 0.000 2.051 48 F HA -0.106 4.421 4.527 -0.000 0.000 0.296 48 F C 2.455 178.210 175.800 -0.074 0.000 1.122 48 F CA 1.380 59.252 58.000 -0.214 0.000 1.201 48 F CB -0.931 37.750 39.000 -0.531 0.000 0.978 48 F HN 0.303 nan 8.300 nan 0.000 0.472 49 R N 0.640 121.241 120.500 0.168 0.000 2.103 49 R HA -0.241 4.098 4.340 -0.001 0.000 0.242 49 R C 2.197 178.583 176.300 0.144 0.000 1.142 49 R CA 2.000 58.212 56.100 0.187 0.000 0.960 49 R CB -0.570 29.843 30.300 0.188 0.000 0.858 49 R HN 0.424 nan 8.270 nan 0.000 0.439 50 E N -0.689 119.569 120.200 0.097 0.000 2.097 50 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 50 E C 0.320 176.939 176.600 0.031 0.000 1.000 50 E CA 1.923 58.353 56.400 0.049 0.000 0.804 50 E CB 0.113 29.825 29.700 0.019 0.000 0.740 50 E HN 0.404 nan 8.360 nan 0.000 0.454 51 T N -0.465 114.108 114.554 0.032 0.000 3.132 51 T HA 0.141 4.491 4.350 -0.001 0.000 0.274 51 T C 0.457 175.144 174.700 -0.021 0.000 1.011 51 T CA -0.468 61.617 62.100 -0.023 0.000 0.899 51 T CB 0.014 68.825 68.868 -0.095 0.000 1.089 51 T HN 0.071 nan 8.240 nan 0.000 0.543 52 F N 2.612 122.532 119.950 -0.049 0.000 2.123 52 F HA 0.248 4.775 4.527 -0.001 0.000 0.289 52 F C -1.677 174.101 175.800 -0.037 0.000 1.099 52 F CA -0.383 57.575 58.000 -0.070 0.000 1.234 52 F CB -0.681 38.253 39.000 -0.111 0.000 1.034 52 F HN -0.054 nan 8.300 nan 0.000 0.479 53 P HA -0.036 nan 4.420 nan 0.000 0.254 53 P C -0.394 176.941 177.300 0.059 0.000 1.467 53 P CA 0.587 63.768 63.100 0.134 0.000 1.281 53 P CB -0.457 31.295 31.700 0.086 0.000 1.754 54 I N 1.599 122.197 120.570 0.047 0.000 2.311 54 I HA 0.076 4.246 4.170 -0.001 0.000 0.297 54 I C 0.409 176.521 176.117 -0.009 0.000 1.131 54 I CA -0.284 61.012 61.300 -0.006 0.000 1.289 54 I CB -0.044 37.933 38.000 -0.038 0.000 1.446 54 I HN 0.102 nan 8.210 nan 0.000 0.524 55 E N 7.478 127.667 120.200 -0.018 0.000 2.152 55 E HA 0.243 4.593 4.350 -0.001 0.000 0.285 55 E C -0.988 175.598 176.600 -0.023 0.000 1.043 55 E CA -0.339 56.050 56.400 -0.020 0.000 0.839 55 E CB 0.663 30.346 29.700 -0.028 0.000 1.069 55 E HN 0.580 nan 8.360 nan 0.000 0.399 56 E N 4.225 124.415 120.200 -0.016 0.000 2.255 56 E HA 0.124 4.474 4.350 -0.001 0.000 0.256 56 E C -0.177 176.421 176.600 -0.003 0.000 0.887 56 E CA -0.268 56.125 56.400 -0.012 0.000 0.782 56 E CB 2.080 31.772 29.700 -0.014 0.000 1.214 56 E HN 0.558 nan 8.360 nan 0.000 0.417 57 E N 2.651 122.852 120.200 0.003 0.000 2.329 57 E HA 0.071 4.420 4.350 -0.001 0.000 0.189 57 E C -0.379 176.230 176.600 0.015 0.000 0.997 57 E CA 0.173 56.579 56.400 0.011 0.000 1.062 57 E CB 0.692 30.401 29.700 0.016 0.000 1.260 57 E HN 0.306 nan 8.360 nan 0.000 0.490 58 D N 0.034 120.444 120.400 0.017 0.000 2.896 58 D HA 0.345 4.984 4.640 -0.001 0.000 0.241 58 D C -1.325 174.985 176.300 0.017 0.000 1.188 58 D CA -0.252 53.760 54.000 0.018 0.000 0.879 58 D CB 1.796 42.609 40.800 0.022 0.000 1.553 58 D HN 0.016 nan 8.370 nan 0.000 0.515 59 K N 1.538 121.948 120.400 0.016 0.000 2.370 59 K HA 0.359 4.679 4.320 -0.001 0.000 0.315 59 K C 0.051 176.659 176.600 0.014 0.000 1.589 59 K CA -0.137 56.158 56.287 0.014 0.000 0.963 59 K CB 0.968 33.475 32.500 0.012 0.000 1.424 59 K HN 0.774 nan 8.250 nan 0.000 0.467 60 G N 2.631 111.440 108.800 0.015 0.000 2.833 60 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.260 60 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.260 60 G C -0.805 174.106 174.900 0.018 0.000 1.412 60 G CA 0.176 45.285 45.100 0.016 0.000 0.986 60 G HN 0.376 nan 8.290 nan 0.000 0.556 61 K N 1.046 121.459 120.400 0.021 0.000 2.345 61 K HA 0.648 4.967 4.320 -0.001 0.000 0.255 61 K C 0.264 176.881 176.600 0.028 0.000 0.934 61 K CA 0.177 56.480 56.287 0.026 0.000 0.801 61 K CB 1.382 33.901 32.500 0.030 0.000 1.137 61 K HN 1.377 nan 8.250 nan 0.000 0.424 62 G N 0.461 109.278 108.800 0.029 0.000 2.933 62 G HA2 0.515 4.475 3.960 -0.001 0.000 0.203 62 G HA3 0.515 4.475 3.960 -0.001 0.000 0.203 62 G C 0.126 175.040 174.900 0.024 0.000 1.170 62 G CA -0.160 44.954 45.100 0.024 0.000 0.880 62 G HN 1.028 nan 8.290 nan 0.000 0.573 63 G N -1.013 107.795 108.800 0.013 0.000 2.164 63 G HA2 0.066 4.026 3.960 -0.001 0.000 0.212 63 G HA3 0.066 4.026 3.960 -0.001 0.000 0.212 63 G C 0.025 174.920 174.900 -0.007 0.000 1.031 63 G CA 0.314 45.421 45.100 0.011 0.000 0.730 63 G HN 1.279 nan 8.290 nan 0.000 0.501 64 L N 0.763 121.974 121.223 -0.019 0.000 2.367 64 L HA 0.655 4.995 4.340 -0.001 0.000 0.275 64 L C 0.148 176.996 176.870 -0.036 0.000 1.129 64 L CA -0.267 54.544 54.840 -0.048 0.000 0.839 64 L CB 1.389 43.423 42.059 -0.042 0.000 1.133 64 L HN 0.242 nan 8.230 nan 0.000 0.453 65 V N 6.566 126.450 119.914 -0.051 0.000 2.439 65 V HA 0.301 4.420 4.120 -0.001 0.000 0.277 65 V C -0.587 175.505 176.094 -0.003 0.000 1.008 65 V CA -0.527 61.763 62.300 -0.017 0.000 0.846 65 V CB 1.161 32.977 31.823 -0.011 0.000 1.031 65 V HN 0.598 nan 8.190 nan 0.000 0.441 66 L N 4.313 125.564 121.223 0.046 0.000 2.264 66 L HA 0.721 5.061 4.340 -0.001 0.000 0.289 66 L C -0.439 176.566 176.870 0.224 0.000 1.044 66 L CA 0.654 55.567 54.840 0.122 0.000 0.807 66 L CB 0.980 43.117 42.059 0.131 0.000 1.192 66 L HN 0.545 nan 8.230 nan 0.000 0.425 67 D N 3.692 124.167 120.400 0.125 0.000 2.433 67 D HA 0.267 4.906 4.640 -0.001 0.000 0.236 67 D C -1.191 174.868 176.300 -0.402 0.000 1.026 67 D CA -0.141 53.845 54.000 -0.024 0.000 0.884 67 D CB 2.089 42.854 40.800 -0.058 0.000 1.384 67 D HN 0.293 nan 8.370 nan 0.000 0.477 68 F N 1.854 121.230 119.950 -0.957 0.000 2.404 68 F HA 0.291 4.818 4.527 -0.001 0.000 0.345 68 F C 0.118 175.572 175.800 -0.578 0.000 1.110 68 F CA -0.418 56.769 58.000 -1.356 0.000 1.130 68 F CB 0.517 38.597 39.000 -1.533 0.000 1.129 68 F HN 0.267 nan 8.300 nan 0.000 0.500 69 L N 2.558 123.135 121.223 -1.076 0.000 2.471 69 L HA 0.393 4.733 4.340 -0.001 0.000 0.186 69 L C -0.257 175.921 176.870 -1.154 0.000 1.191 69 L CA 0.060 54.392 54.840 -0.846 0.000 0.835 69 L CB -0.204 41.594 42.059 -0.435 0.000 1.092 69 L HN 0.442 nan 8.230 nan 0.000 0.495 70 E N -0.695 118.959 120.200 -0.909 0.000 2.321 70 E HA 0.276 4.625 4.350 -0.001 0.000 0.278 70 E C -1.795 174.866 176.600 0.103 0.000 0.902 70 E CA -0.611 55.499 56.400 -0.483 0.000 0.758 70 E CB 2.138 31.665 29.700 -0.289 0.000 1.213 70 E HN 0.131 nan 8.360 nan 0.000 0.426 71 Y N 0.618 121.223 120.300 0.509 0.000 2.327 71 Y HA 0.679 5.228 4.550 -0.001 0.000 0.336 71 Y C -0.338 175.754 175.900 0.320 0.000 1.035 71 Y CA -0.994 57.476 58.100 0.617 0.000 1.165 71 Y CB 0.703 39.619 38.460 0.760 0.000 1.181 71 Y HN 0.419 nan 8.280 nan 0.000 0.494 72 R N 4.317 124.919 120.500 0.171 0.000 2.510 72 R HA 0.689 5.028 4.340 -0.001 0.000 0.287 72 R C -2.409 173.996 176.300 0.175 0.000 1.084 72 R CA -0.935 55.190 56.100 0.042 0.000 0.934 72 R CB 0.895 31.178 30.300 -0.028 0.000 1.201 72 R HN 0.774 nan 8.270 nan 0.000 0.431 73 L N 0.237 121.526 121.223 0.110 0.000 2.365 73 L HA 1.016 5.355 4.340 -0.001 0.000 0.273 73 L C 0.436 177.335 176.870 0.047 0.000 1.000 73 L CA -0.294 54.585 54.840 0.066 0.000 0.819 73 L CB 2.474 44.539 42.059 0.009 0.000 1.284 73 L HN 0.846 nan 8.230 nan 0.000 0.418 74 G N 0.814 109.645 108.800 0.051 0.000 2.593 74 G HA2 0.123 4.082 3.960 -0.001 0.000 0.189 74 G HA3 0.123 4.082 3.960 -0.001 0.000 0.189 74 G C -0.214 174.702 174.900 0.026 0.000 1.560 74 G CA -0.135 44.987 45.100 0.037 0.000 0.648 74 G HN 0.487 nan 8.290 nan 0.000 1.097 75 E N 2.099 122.321 120.200 0.038 0.000 2.073 75 E HA 0.485 4.834 4.350 -0.001 0.000 0.269 75 E C -2.555 174.047 176.600 0.003 0.000 0.917 75 E CA -1.850 54.562 56.400 0.021 0.000 0.757 75 E CB 2.190 31.909 29.700 0.032 0.000 1.111 75 E HN 0.092 nan 8.360 nan 0.000 0.410 76 P HA 0.013 nan 4.420 nan 0.000 0.267 76 P C -2.013 175.265 177.300 -0.036 0.000 1.205 76 P CA -0.888 62.166 63.100 -0.077 0.000 0.765 76 P CB 0.582 32.187 31.700 -0.158 0.000 0.828 77 P HA -0.135 nan 4.420 nan 0.000 0.214 77 P C -0.158 176.962 177.300 -0.300 0.000 1.163 77 P CA 1.631 64.707 63.100 -0.040 0.000 0.889 77 P CB 0.060 31.880 31.700 0.200 0.000 0.790 78 F N -2.802 117.146 119.950 -0.004 0.000 2.764 78 F HA 0.542 5.068 4.527 -0.001 0.000 0.347 78 F C -2.239 173.614 175.800 0.089 0.000 1.151 78 F CA -2.075 55.949 58.000 0.040 0.000 1.021 78 F CB 0.311 39.340 39.000 0.048 0.000 1.438 78 F HN -0.287 nan 8.300 nan 0.000 0.516 79 P HA 0.339 nan 4.420 nan 0.000 0.288 79 P C -0.786 176.744 177.300 0.383 0.000 1.300 79 P CA -0.476 62.847 63.100 0.371 0.000 0.910 79 P CB 1.977 33.815 31.700 0.230 0.000 1.256 80 Q N 0.151 120.101 119.800 0.250 0.000 1.967 80 Q HA -0.230 4.110 4.340 -0.001 0.000 0.210 80 Q C 1.471 177.493 176.000 0.037 0.000 1.005 80 Q CA 2.412 58.191 55.803 -0.040 0.000 0.862 80 Q CB -0.698 27.894 28.738 -0.243 0.000 0.939 80 Q HN 0.504 nan 8.270 nan 0.000 0.417 81 D N 0.424 120.856 120.400 0.053 0.000 2.116 81 D HA -0.172 4.468 4.640 -0.001 0.000 0.193 81 D C 1.717 178.047 176.300 0.049 0.000 0.998 81 D CA 1.253 55.289 54.000 0.060 0.000 0.836 81 D CB -0.105 40.748 40.800 0.089 0.000 0.951 81 D HN 0.251 nan 8.370 nan 0.000 0.449 82 E N -0.601 119.650 120.200 0.084 0.000 2.160 82 E HA -0.180 4.169 4.350 -0.001 0.000 0.195 82 E C 1.687 178.299 176.600 0.020 0.000 0.991 82 E CA 0.578 57.019 56.400 0.068 0.000 0.810 82 E CB -0.014 29.773 29.700 0.146 0.000 0.742 82 E HN 0.299 nan 8.360 nan 0.000 0.466 83 C N 0.256 119.590 119.300 0.058 0.000 2.432 83 C HA -0.035 4.425 4.460 -0.001 0.000 0.282 83 C C 2.370 177.356 174.990 -0.006 0.000 1.388 83 C CA 0.496 59.530 59.018 0.027 0.000 1.777 83 C CB -0.817 27.006 27.740 0.138 0.000 1.882 83 C HN 0.380 nan 8.230 nan 0.000 0.520 84 R N 0.004 120.502 120.500 -0.002 0.000 2.128 84 R HA 0.007 4.347 4.340 -0.001 0.000 0.211 84 R C 2.051 178.346 176.300 -0.010 0.000 1.067 84 R CA 0.580 56.672 56.100 -0.012 0.000 1.010 84 R CB -0.321 29.970 30.300 -0.015 0.000 0.922 84 R HN 0.555 nan 8.270 nan 0.000 0.457 85 E N 1.870 122.059 120.200 -0.019 0.000 2.038 85 E HA -0.111 4.239 4.350 -0.001 0.000 0.195 85 E C -0.190 176.407 176.600 -0.005 0.000 1.000 85 E CA 1.300 57.692 56.400 -0.013 0.000 0.803 85 E CB 0.249 29.935 29.700 -0.024 0.000 0.750 85 E HN 0.106 nan 8.360 nan 0.000 0.448 86 K N 1.277 121.655 120.400 -0.036 0.000 2.118 86 K HA 0.172 4.492 4.320 -0.001 0.000 0.267 86 K C -1.074 175.482 176.600 -0.074 0.000 0.991 86 K CA -0.432 55.815 56.287 -0.066 0.000 0.916 86 K CB 1.178 33.602 32.500 -0.127 0.000 1.041 86 K HN 0.003 nan 8.250 nan 0.000 0.455 87 D N 2.446 122.806 120.400 -0.067 0.000 2.348 87 D HA 0.151 4.791 4.640 -0.001 0.000 0.259 87 D C -0.862 175.381 176.300 -0.094 0.000 1.296 87 D CA 0.088 54.053 54.000 -0.059 0.000 0.931 87 D CB 0.137 40.913 40.800 -0.041 0.000 1.067 87 D HN 0.077 nan 8.370 nan 0.000 0.503 88 L N 1.913 123.084 121.223 -0.086 0.000 2.434 88 L HA 0.504 4.844 4.340 -0.001 0.000 0.260 88 L C -0.790 176.059 176.870 -0.035 0.000 0.983 88 L CA -0.569 54.203 54.840 -0.112 0.000 0.820 88 L CB 2.550 44.485 42.059 -0.207 0.000 1.361 88 L HN 0.203 nan 8.230 nan 0.000 0.410 89 T N 2.615 117.152 114.554 -0.029 0.000 2.801 89 T HA 0.264 4.614 4.350 -0.001 0.000 0.306 89 T C -0.751 173.991 174.700 0.070 0.000 1.020 89 T CA -0.199 61.914 62.100 0.023 0.000 0.948 89 T CB -0.314 68.550 68.868 -0.007 0.000 0.962 89 T HN 0.448 nan 8.240 nan 0.000 0.465 90 Y N 5.645 125.947 120.300 0.004 0.000 2.828 90 Y HA 0.196 4.746 4.550 -0.000 0.000 0.359 90 Y C 0.368 176.300 175.900 0.054 0.000 1.258 90 Y CA 0.554 58.681 58.100 0.044 0.000 1.652 90 Y CB -0.123 38.359 38.460 0.037 0.000 1.232 90 Y HN 0.643 nan 8.280 nan 0.000 0.513 91 Q N 4.374 124.086 119.800 -0.147 0.000 2.359 91 Q HA 0.727 5.067 4.340 -0.001 0.000 0.274 91 Q C -1.176 174.801 176.000 -0.037 0.000 1.074 91 Q CA -1.149 54.633 55.803 -0.034 0.000 0.810 91 Q CB 2.041 30.858 28.738 0.132 0.000 1.342 91 Q HN 0.709 nan 8.270 nan 0.000 0.427 92 A N 2.690 125.471 122.820 -0.065 0.000 2.309 92 A HA 0.653 4.973 4.320 -0.001 0.000 0.298 92 A C -2.427 175.041 177.584 -0.194 0.000 1.165 92 A CA -1.498 50.482 52.037 -0.095 0.000 0.821 92 A CB 0.146 19.102 19.000 -0.072 0.000 1.102 92 A HN 0.349 nan 8.150 nan 0.000 0.500 93 P HA 0.391 nan 4.420 nan 0.000 0.276 93 P C -0.933 176.071 177.300 -0.494 0.000 1.230 93 P CA -0.129 62.625 63.100 -0.577 0.000 0.776 93 P CB 0.855 32.312 31.700 -0.405 0.000 0.888 94 L N 4.802 125.713 121.223 -0.520 0.000 2.376 94 L HA 0.600 4.940 4.340 -0.001 0.000 0.275 94 L C -1.836 174.919 176.870 -0.191 0.000 0.987 94 L CA -0.575 54.114 54.840 -0.251 0.000 0.828 94 L CB 0.837 42.860 42.059 -0.060 0.000 1.249 94 L HN 0.229 nan 8.230 nan 0.000 0.409 95 Y N 3.506 123.898 120.300 0.154 0.000 2.329 95 Y HA 0.867 5.417 4.550 -0.000 0.000 0.328 95 Y C 0.051 176.097 175.900 0.243 0.000 0.992 95 Y CA -1.087 57.126 58.100 0.188 0.000 1.151 95 Y CB 0.993 39.483 38.460 0.051 0.000 1.150 95 Y HN 0.810 nan 8.280 nan 0.000 0.450 96 A N 3.418 126.551 122.820 0.521 0.000 2.294 96 A HA 0.798 5.118 4.320 -0.001 0.000 0.330 96 A C -0.153 177.617 177.584 0.311 0.000 1.133 96 A CA -1.223 51.114 52.037 0.500 0.000 0.836 96 A CB 0.793 20.231 19.000 0.730 0.000 1.190 96 A HN 0.831 nan 8.150 nan 0.000 0.492 97 R N -0.031 120.566 120.500 0.161 0.000 2.389 97 R HA 0.453 4.792 4.340 -0.001 0.000 0.295 97 R C -1.459 174.847 176.300 0.010 0.000 1.075 97 R CA -0.084 56.037 56.100 0.036 0.000 1.005 97 R CB 0.205 30.457 30.300 -0.080 0.000 0.987 97 R HN 0.455 nan 8.270 nan 0.000 0.452 98 L N 2.339 123.602 121.223 0.067 0.000 2.408 98 L HA 0.371 4.710 4.340 -0.001 0.000 0.268 98 L C -0.663 176.244 176.870 0.062 0.000 0.986 98 L CA -0.695 54.208 54.840 0.105 0.000 0.820 98 L CB 1.906 44.147 42.059 0.303 0.000 1.303 98 L HN 0.593 nan 8.230 nan 0.000 0.411 99 Q N 2.504 122.327 119.800 0.038 0.000 2.269 99 Q HA 0.672 5.012 4.340 -0.001 0.000 0.263 99 Q C -1.147 174.869 176.000 0.026 0.000 0.983 99 Q CA -0.911 54.906 55.803 0.023 0.000 0.777 99 Q CB 2.492 31.221 28.738 -0.015 0.000 1.273 99 Q HN 0.540 nan 8.270 nan 0.000 0.440 100 L N 2.812 124.046 121.223 0.018 0.000 2.292 100 L HA 0.524 4.863 4.340 -0.001 0.000 0.284 100 L C -0.917 175.886 176.870 -0.113 0.000 1.065 100 L CA -0.317 54.497 54.840 -0.043 0.000 0.806 100 L CB 0.619 42.641 42.059 -0.062 0.000 1.175 100 L HN 0.629 nan 8.230 nan 0.000 0.431 101 I N 3.555 124.041 120.570 -0.140 0.000 2.970 101 I HA 0.406 4.575 4.170 -0.001 0.000 0.310 101 I C 0.299 176.227 176.117 -0.314 0.000 1.010 101 I CA -0.277 60.948 61.300 -0.124 0.000 1.228 101 I CB 0.746 38.717 38.000 -0.049 0.000 1.433 101 I HN 0.666 nan 8.210 nan 0.000 0.573 102 H N 1.660 120.740 119.070 0.016 0.000 2.895 102 H HA 0.261 4.817 4.556 -0.001 0.000 0.373 102 H C 0.035 175.370 175.328 0.013 0.000 1.174 102 H CA -0.582 55.475 56.048 0.014 0.000 1.144 102 H CB 2.555 32.325 29.762 0.013 0.000 1.793 102 H HN 0.470 nan 8.280 nan 0.000 0.551 103 K N 0.634 121.126 120.400 0.153 0.000 2.432 103 K HA -0.012 4.307 4.320 -0.001 0.000 0.196 103 K C -0.479 176.168 176.600 0.078 0.000 1.038 103 K CA 0.474 56.814 56.287 0.088 0.000 0.986 103 K CB 0.410 32.950 32.500 0.067 0.000 0.782 103 K HN 0.497 nan 8.250 nan 0.000 0.485 104 D N 0.502 120.961 120.400 0.099 0.000 2.228 104 D HA -0.012 4.628 4.640 -0.001 0.000 0.247 104 D C -0.365 175.959 176.300 0.040 0.000 0.995 104 D CA -0.495 53.530 54.000 0.042 0.000 0.903 104 D CB 1.391 42.187 40.800 -0.007 0.000 1.205 104 D HN 0.008 nan 8.370 nan 0.000 0.459 105 T N -1.188 113.375 114.554 0.014 0.000 2.708 105 T HA 0.400 4.749 4.350 -0.001 0.000 0.271 105 T C 0.477 175.180 174.700 0.005 0.000 0.985 105 T CA 0.037 62.146 62.100 0.015 0.000 1.229 105 T CB -0.762 68.108 68.868 0.004 0.000 0.934 105 T HN 0.763 nan 8.240 nan 0.000 0.522 106 G N 3.243 112.071 108.800 0.046 0.000 2.282 106 G HA2 0.392 4.351 3.960 -0.001 0.000 0.274 106 G HA3 0.392 4.351 3.960 -0.001 0.000 0.274 106 G C -1.302 173.708 174.900 0.183 0.000 1.718 106 G CA -1.132 44.003 45.100 0.059 0.000 0.927 106 G HN 0.935 nan 8.290 nan 0.000 0.733 107 L N 2.438 123.747 121.223 0.142 0.000 2.492 107 L HA 0.446 4.786 4.340 -0.001 0.000 0.258 107 L C -0.378 176.554 176.870 0.102 0.000 1.028 107 L CA -0.752 54.169 54.840 0.136 0.000 0.900 107 L CB 1.359 43.455 42.059 0.061 0.000 1.191 107 L HN 0.422 nan 8.230 nan 0.000 0.459 108 I N 2.188 122.840 120.570 0.136 0.000 2.396 108 I HA 0.147 4.317 4.170 -0.001 0.000 0.289 108 I C 0.585 176.739 176.117 0.061 0.000 1.056 108 I CA 0.150 61.504 61.300 0.089 0.000 1.365 108 I CB 0.523 38.586 38.000 0.105 0.000 1.407 108 I HN 0.494 nan 8.210 nan 0.000 0.509 109 K N 6.790 127.214 120.400 0.039 0.000 2.296 109 K HA 0.269 4.588 4.320 -0.001 0.000 0.257 109 K C -0.448 176.171 176.600 0.031 0.000 1.088 109 K CA -0.358 55.946 56.287 0.027 0.000 0.980 109 K CB 0.450 32.953 32.500 0.004 0.000 1.430 109 K HN 0.625 nan 8.250 nan 0.000 0.441 110 E N 4.414 124.644 120.200 0.050 0.000 1.993 110 E HA 0.007 4.357 4.350 -0.001 0.000 0.271 110 E C 0.110 176.746 176.600 0.060 0.000 1.008 110 E CA -0.454 55.976 56.400 0.051 0.000 0.814 110 E CB 0.583 30.322 29.700 0.064 0.000 1.098 110 E HN 0.599 nan 8.360 nan 0.000 0.407 111 D N 3.509 123.927 120.400 0.030 0.000 2.549 111 D HA -0.246 4.394 4.640 -0.001 0.000 0.199 111 D C 0.016 176.347 176.300 0.053 0.000 1.034 111 D CA 1.670 55.679 54.000 0.015 0.000 0.880 111 D CB 0.200 40.983 40.800 -0.029 0.000 1.044 111 D HN 0.551 nan 8.370 nan 0.000 0.469 112 E N -0.299 119.927 120.200 0.044 0.000 2.277 112 E HA 0.540 4.890 4.350 -0.001 0.000 0.266 112 E C -0.746 175.984 176.600 0.218 0.000 0.901 112 E CA -0.681 55.784 56.400 0.109 0.000 0.782 112 E CB 3.217 32.861 29.700 -0.094 0.000 1.228 112 E HN -0.100 nan 8.360 nan 0.000 0.424 113 V N 1.998 122.126 119.914 0.358 0.000 2.555 113 V HA 0.177 4.297 4.120 -0.001 0.000 0.283 113 V C -0.908 175.526 176.094 0.567 0.000 1.020 113 V CA -1.041 61.518 62.300 0.432 0.000 0.883 113 V CB 0.241 32.236 31.823 0.287 0.000 1.030 113 V HN 0.492 nan 8.190 nan 0.000 0.448 114 F N 5.093 125.220 119.950 0.294 0.000 2.439 114 F HA 0.718 5.245 4.527 -0.001 0.000 0.356 114 F C -0.206 175.622 175.800 0.045 0.000 1.161 114 F CA -2.263 55.783 58.000 0.077 0.000 1.151 114 F CB -0.585 38.327 39.000 -0.146 0.000 1.222 114 F HN 0.396 nan 8.300 nan 0.000 0.558 115 L N 0.938 122.288 121.223 0.213 0.000 2.322 115 L HA 1.022 5.362 4.340 -0.001 0.000 0.281 115 L C 0.246 177.176 176.870 0.100 0.000 1.014 115 L CA -0.974 53.943 54.840 0.130 0.000 0.815 115 L CB 1.547 43.690 42.059 0.140 0.000 1.247 115 L HN 0.926 nan 8.230 nan 0.000 0.421 116 G N 1.086 109.936 108.800 0.084 0.000 3.396 116 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.682 116 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.682 116 G C -0.856 174.040 174.900 -0.006 0.000 0.924 116 G CA -0.650 44.505 45.100 0.091 0.000 0.770 116 G HN 0.973 nan 8.290 nan 0.000 0.484 117 H N 1.753 120.842 119.070 0.032 0.000 2.641 117 H HA 0.416 4.972 4.556 -0.001 0.000 0.295 117 H C 0.701 176.022 175.328 -0.011 0.000 1.070 117 H CA 0.020 56.068 56.048 -0.000 0.000 1.257 117 H CB 0.819 30.580 29.762 -0.001 0.000 1.393 117 H HN 0.680 nan 8.280 nan 0.000 0.464 118 I N 3.116 123.687 120.570 0.001 0.000 2.321 118 I HA 0.394 4.564 4.170 -0.001 0.000 0.291 118 I C -2.736 173.358 176.117 -0.038 0.000 0.998 118 I CA -2.628 58.662 61.300 -0.017 0.000 1.227 118 I CB 1.153 39.113 38.000 -0.068 0.000 1.368 118 I HN 0.182 nan 8.210 nan 0.000 0.466 119 P HA 0.165 nan 4.420 nan 0.000 0.267 119 P C -0.607 176.815 177.300 0.204 0.000 1.201 119 P CA 0.095 63.119 63.100 -0.127 0.000 0.775 119 P CB 0.538 31.840 31.700 -0.664 0.000 0.854 120 L N 1.430 122.840 121.223 0.312 0.000 2.304 120 L HA 0.568 4.908 4.340 -0.001 0.000 0.268 120 L C 0.403 177.331 176.870 0.096 0.000 1.010 120 L CA -1.094 53.960 54.840 0.356 0.000 0.813 120 L CB 1.374 43.649 42.059 0.359 0.000 1.315 120 L HN 0.341 nan 8.230 nan 0.000 0.445 121 M N -0.167 119.351 119.600 -0.137 0.000 2.478 121 M HA 0.354 4.833 4.480 -0.001 0.000 0.327 121 M C -0.494 175.599 176.300 -0.346 0.000 1.187 121 M CA -0.320 54.600 55.300 -0.633 0.000 1.022 121 M CB 1.877 34.078 32.600 -0.665 0.000 1.629 121 M HN 0.511 nan 8.290 nan 0.000 0.461 122 T N 1.996 116.299 114.554 -0.419 0.000 2.904 122 T HA 0.117 4.466 4.350 -0.001 0.000 0.290 122 T C 1.057 175.630 174.700 -0.212 0.000 1.018 122 T CA -0.547 61.381 62.100 -0.287 0.000 1.075 122 T CB 0.914 69.620 68.868 -0.270 0.000 0.986 122 T HN 0.669 nan 8.240 nan 0.000 0.523 123 E N 1.220 121.327 120.200 -0.154 0.000 2.171 123 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 123 E C 1.644 178.173 176.600 -0.119 0.000 0.997 123 E CA 1.836 58.168 56.400 -0.113 0.000 0.810 123 E CB -0.059 29.586 29.700 -0.092 0.000 0.738 123 E HN 0.771 nan 8.360 nan 0.000 0.467 124 D N -1.311 119.009 120.400 -0.134 0.000 2.149 124 D HA -0.055 4.584 4.640 -0.001 0.000 0.201 124 D C 1.422 177.647 176.300 -0.125 0.000 0.972 124 D CA 1.316 55.245 54.000 -0.118 0.000 0.835 124 D CB -0.000 40.733 40.800 -0.112 0.000 0.966 124 D HN 0.212 nan 8.370 nan 0.000 0.476 125 G N -0.782 107.912 108.800 -0.176 0.000 2.370 125 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.174 125 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.174 125 G C 0.218 174.955 174.900 -0.271 0.000 1.002 125 G CA 0.089 45.065 45.100 -0.207 0.000 0.730 125 G HN 0.778 nan 8.290 nan 0.000 0.497 126 S N -0.129 115.424 115.700 -0.245 0.000 2.651 126 S HA 0.871 5.341 4.470 -0.001 0.000 0.291 126 S C -0.063 174.345 174.600 -0.320 0.000 1.141 126 S CA -0.766 57.327 58.200 -0.179 0.000 1.027 126 S CB 1.943 65.101 63.200 -0.070 0.000 1.043 126 S HN 0.232 nan 8.310 nan 0.000 0.530 127 F N -0.016 119.883 119.950 -0.086 0.000 2.377 127 F HA 0.650 5.177 4.527 -0.001 0.000 0.335 127 F C 0.248 175.993 175.800 -0.093 0.000 1.099 127 F CA -1.179 56.769 58.000 -0.088 0.000 1.072 127 F CB 0.963 39.938 39.000 -0.042 0.000 1.417 127 F HN 0.446 nan 8.300 nan 0.000 0.495 128 I N 1.498 122.184 120.570 0.193 0.000 2.603 128 I HA 0.181 4.351 4.170 -0.001 0.000 0.276 128 I C -0.447 175.732 176.117 0.103 0.000 1.133 128 I CA 0.064 61.411 61.300 0.078 0.000 1.070 128 I CB 1.143 39.143 38.000 -0.001 0.000 1.215 128 I HN 0.510 nan 8.210 nan 0.000 0.487 129 I N 3.267 123.876 120.570 0.065 0.000 2.641 129 I HA 0.103 4.273 4.170 -0.001 0.000 0.232 129 I C 0.725 176.855 176.117 0.022 0.000 1.060 129 I CA 0.850 62.172 61.300 0.036 0.000 1.417 129 I CB 0.212 38.236 38.000 0.040 0.000 1.227 129 I HN 0.452 nan 8.210 nan 0.000 0.434 130 N N 0.688 119.396 118.700 0.013 0.000 2.623 130 N HA 0.311 5.051 4.740 -0.001 0.000 0.256 130 N C 0.500 175.999 175.510 -0.017 0.000 1.045 130 N CA 0.662 53.714 53.050 0.002 0.000 0.863 130 N CB 1.664 40.160 38.487 0.016 0.000 1.182 130 N HN 0.520 nan 8.380 nan 0.000 0.523 131 G N 1.924 110.708 108.800 -0.026 0.000 2.746 131 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.236 131 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.236 131 G C 0.259 175.105 174.900 -0.089 0.000 1.172 131 G CA 0.632 45.707 45.100 -0.041 0.000 0.736 131 G HN 0.834 nan 8.290 nan 0.000 0.519 132 A N 0.704 123.433 122.820 -0.151 0.000 2.312 132 A HA 0.606 4.925 4.320 -0.001 0.000 0.326 132 A C -0.298 177.155 177.584 -0.218 0.000 1.172 132 A CA -0.036 51.819 52.037 -0.303 0.000 0.821 132 A CB 0.669 19.250 19.000 -0.699 0.000 1.166 132 A HN 0.291 nan 8.150 nan 0.000 0.493 133 D N 1.990 122.265 120.400 -0.209 0.000 2.417 133 D HA 0.261 4.901 4.640 -0.001 0.000 0.250 133 D C 0.288 176.539 176.300 -0.083 0.000 1.166 133 D CA 0.695 54.628 54.000 -0.112 0.000 0.881 133 D CB 0.579 41.313 40.800 -0.109 0.000 1.164 133 D HN 0.435 nan 8.370 nan 0.000 0.467 134 R N 0.768 121.297 120.500 0.049 0.000 2.902 134 R HA 0.749 5.089 4.340 -0.001 0.000 0.258 134 R C -0.884 175.546 176.300 0.217 0.000 1.071 134 R CA -1.150 55.014 56.100 0.106 0.000 1.024 134 R CB 1.938 32.295 30.300 0.095 0.000 1.184 134 R HN 0.170 nan 8.270 nan 0.000 0.492 135 V N 2.167 122.213 119.914 0.220 0.000 2.709 135 V HA 0.363 4.483 4.120 -0.001 0.000 0.308 135 V C -0.344 175.815 176.094 0.109 0.000 1.062 135 V CA -0.886 61.560 62.300 0.243 0.000 0.901 135 V CB 2.267 34.276 31.823 0.310 0.000 1.003 135 V HN 0.571 nan 8.190 nan 0.000 0.425 136 I N 5.192 125.806 120.570 0.073 0.000 2.301 136 I HA 0.245 4.415 4.170 -0.001 0.000 0.292 136 I C 0.289 176.369 176.117 -0.061 0.000 1.046 136 I CA 0.077 61.336 61.300 -0.070 0.000 1.282 136 I CB 1.540 39.504 38.000 -0.061 0.000 1.409 136 I HN 0.580 nan 8.210 nan 0.000 0.484 137 V N 4.345 124.195 119.914 -0.106 0.000 2.732 137 V HA 0.488 4.608 4.120 -0.001 0.000 0.297 137 V C 0.710 176.769 176.094 -0.059 0.000 1.060 137 V CA -0.571 61.655 62.300 -0.123 0.000 1.038 137 V CB 1.144 32.873 31.823 -0.156 0.000 1.003 137 V HN 0.698 nan 8.190 nan 0.000 0.481 138 S N 2.513 118.183 115.700 -0.051 0.000 2.634 138 S HA 0.476 4.946 4.470 -0.001 0.000 0.261 138 S C -0.212 174.370 174.600 -0.030 0.000 1.271 138 S CA -0.450 57.733 58.200 -0.027 0.000 0.985 138 S CB 1.099 64.287 63.200 -0.020 0.000 0.968 138 S HN 0.952 nan 8.310 nan 0.000 0.568 139 Q N -0.686 119.093 119.800 -0.035 0.000 2.687 139 Q HA 0.666 5.006 4.340 -0.001 0.000 0.305 139 Q C -2.014 173.969 176.000 -0.028 0.000 1.006 139 Q CA -0.751 55.028 55.803 -0.039 0.000 0.763 139 Q CB 1.253 29.948 28.738 -0.072 0.000 1.506 139 Q HN 0.607 nan 8.270 nan 0.000 0.459 140 I N -0.854 119.714 120.570 -0.002 0.000 2.865 140 I HA 0.659 4.829 4.170 -0.001 0.000 0.302 140 I C -0.589 175.628 176.117 0.166 0.000 1.140 140 I CA -0.457 60.891 61.300 0.081 0.000 1.021 140 I CB 1.998 40.053 38.000 0.091 0.000 1.233 140 I HN 0.851 nan 8.210 nan 0.000 0.427 141 H N 0.057 119.161 119.070 0.057 0.000 2.838 141 H HA 0.532 5.088 4.556 -0.001 0.000 0.269 141 H C -1.192 174.204 175.328 0.114 0.000 1.463 141 H CA -1.367 54.725 56.048 0.073 0.000 1.141 141 H CB 0.964 30.762 29.762 0.060 0.000 1.821 141 H HN 0.573 nan 8.280 nan 0.000 0.544 142 R N 1.821 122.325 120.500 0.006 0.000 2.351 142 R HA 0.181 4.520 4.340 -0.001 0.000 0.318 142 R C -0.292 175.860 176.300 -0.247 0.000 1.055 142 R CA 0.292 56.383 56.100 -0.015 0.000 0.968 142 R CB 0.619 31.012 30.300 0.155 0.000 0.974 142 R HN 0.632 nan 8.270 nan 0.000 0.439 143 S N 4.104 119.784 115.700 -0.033 0.000 2.580 143 S HA 0.295 4.765 4.470 -0.001 0.000 0.274 143 S C -2.399 172.264 174.600 0.104 0.000 1.329 143 S CA -1.565 56.654 58.200 0.032 0.000 1.036 143 S CB 1.471 64.885 63.200 0.357 0.000 0.919 143 S HN 0.346 nan 8.310 nan 0.000 0.515 144 P HA 0.422 nan 4.420 nan 0.000 0.269 144 P C 0.048 177.356 177.300 0.012 0.000 1.263 144 P CA 0.417 63.509 63.100 -0.013 0.000 0.813 144 P CB 0.342 32.008 31.700 -0.058 0.000 0.868 145 G N 1.601 110.221 108.800 -0.300 0.000 2.601 145 G HA2 0.400 4.359 3.960 -0.001 0.000 0.291 145 G HA3 0.400 4.359 3.960 -0.001 0.000 0.291 145 G C -1.495 172.850 174.900 -0.925 0.000 1.456 145 G CA -0.499 44.367 45.100 -0.390 0.000 0.804 145 G HN 0.178 nan 8.290 nan 0.000 0.499 146 V N 1.010 120.536 119.914 -0.647 0.000 2.498 146 V HA 0.521 4.641 4.120 -0.001 0.000 0.279 146 V C -0.518 175.119 176.094 -0.763 0.000 1.048 146 V CA 0.045 61.890 62.300 -0.758 0.000 0.967 146 V CB -0.232 31.307 31.823 -0.473 0.000 0.988 146 V HN 0.618 nan 8.190 nan 0.000 0.473 147 Y N 3.358 123.207 120.300 -0.753 0.000 2.634 147 Y HA 0.763 5.313 4.550 -0.000 0.000 0.340 147 Y C -0.736 174.499 175.900 -1.109 0.000 1.058 147 Y CA -1.309 56.350 58.100 -0.735 0.000 1.081 147 Y CB 2.151 40.426 38.460 -0.307 0.000 1.295 147 Y HN 0.454 nan 8.280 nan 0.000 0.487 148 F N -0.188 119.868 119.950 0.178 0.000 2.556 148 F HA 0.638 5.164 4.527 -0.001 0.000 0.314 148 F C -0.104 175.722 175.800 0.043 0.000 1.106 148 F CA -0.733 57.323 58.000 0.094 0.000 0.911 148 F CB 2.364 41.414 39.000 0.083 0.000 1.190 148 F HN 0.251 nan 8.300 nan 0.000 0.448 149 T N 2.694 117.370 114.554 0.204 0.000 2.900 149 T HA 0.535 4.885 4.350 -0.001 0.000 0.303 149 T C -2.766 172.060 174.700 0.210 0.000 1.142 149 T CA -1.910 60.276 62.100 0.142 0.000 1.007 149 T CB 2.203 71.146 68.868 0.125 0.000 1.156 149 T HN 0.159 nan 8.240 nan 0.000 0.490 150 P HA 0.190 nan 4.420 nan 0.000 0.273 150 P C -0.954 176.471 177.300 0.210 0.000 1.258 150 P CA -0.100 63.199 63.100 0.332 0.000 0.802 150 P CB 0.409 32.268 31.700 0.264 0.000 1.040 151 D N 0.122 120.614 120.400 0.154 0.000 2.471 151 D HA 0.196 4.836 4.640 -0.001 0.000 0.245 151 D C -1.729 174.607 176.300 0.059 0.000 1.116 151 D CA -1.152 52.901 54.000 0.087 0.000 0.853 151 D CB 1.482 42.311 40.800 0.048 0.000 1.123 151 D HN 0.113 nan 8.370 nan 0.000 0.540 152 P HA -0.020 nan 4.420 nan 0.000 0.214 152 P C 1.214 178.530 177.300 0.027 0.000 1.162 152 P CA 0.673 63.798 63.100 0.042 0.000 0.871 152 P CB 0.505 32.231 31.700 0.045 0.000 0.783 153 A N 0.296 123.130 122.820 0.025 0.000 1.841 153 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 153 A C 1.320 178.909 177.584 0.008 0.000 1.199 153 A CA 1.225 53.271 52.037 0.016 0.000 0.621 153 A CB -0.950 18.059 19.000 0.016 0.000 0.835 153 A HN 0.087 nan 8.150 nan 0.000 0.445 154 R N 0.129 120.631 120.500 0.004 0.000 2.235 154 R HA 0.269 4.608 4.340 -0.001 0.000 0.338 154 R C -2.129 174.161 176.300 -0.017 0.000 1.087 154 R CA -1.658 54.436 56.100 -0.009 0.000 0.948 154 R CB 0.419 30.710 30.300 -0.015 0.000 1.099 154 R HN 0.245 nan 8.270 nan 0.000 0.483 155 P HA -0.194 nan 4.420 nan 0.000 0.224 155 P C 1.193 178.457 177.300 -0.059 0.000 1.142 155 P CA 1.015 64.100 63.100 -0.024 0.000 0.778 155 P CB 0.291 31.980 31.700 -0.019 0.000 0.764 156 G N -0.080 108.676 108.800 -0.073 0.000 2.950 156 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.190 156 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.190 156 G C 0.613 175.383 174.900 -0.217 0.000 1.458 156 G CA 0.487 45.516 45.100 -0.118 0.000 0.800 156 G HN 0.121 nan 8.290 nan 0.000 0.685 157 R N -0.797 119.557 120.500 -0.243 0.000 2.807 157 R HA 0.388 4.728 4.340 -0.001 0.000 0.276 157 R C -1.051 175.090 176.300 -0.265 0.000 0.979 157 R CA -0.629 55.199 56.100 -0.453 0.000 0.928 157 R CB 1.605 31.678 30.300 -0.379 0.000 1.191 157 R HN 0.509 nan 8.270 nan 0.000 0.471 158 Y N 0.922 121.235 120.300 0.021 0.000 2.300 158 Y HA 0.482 5.032 4.550 -0.001 0.000 0.328 158 Y C 0.992 176.930 175.900 0.065 0.000 1.270 158 Y CA -1.061 57.070 58.100 0.052 0.000 1.352 158 Y CB 0.005 38.510 38.460 0.074 0.000 1.286 158 Y HN 0.441 nan 8.280 nan 0.000 0.536 159 I N -0.316 120.429 120.570 0.292 0.000 2.863 159 I HA 0.978 5.147 4.170 -0.001 0.000 0.311 159 I C -0.441 175.838 176.117 0.271 0.000 1.026 159 I CA -1.522 59.910 61.300 0.221 0.000 1.077 159 I CB 2.012 40.098 38.000 0.144 0.000 1.262 159 I HN 0.742 nan 8.210 nan 0.000 0.461 160 A N 2.801 125.782 122.820 0.269 0.000 2.295 160 A HA 0.802 5.122 4.320 -0.001 0.000 0.318 160 A C -0.218 177.362 177.584 -0.006 0.000 1.134 160 A CA -0.331 51.875 52.037 0.281 0.000 0.827 160 A CB 0.786 20.068 19.000 0.469 0.000 1.136 160 A HN 0.938 nan 8.150 nan 0.000 0.493 161 S N 0.630 116.173 115.700 -0.263 0.000 2.619 161 S HA 0.636 5.106 4.470 -0.001 0.000 0.280 161 S C -0.912 173.328 174.600 -0.599 0.000 1.150 161 S CA -0.423 57.572 58.200 -0.342 0.000 0.978 161 S CB 0.731 63.798 63.200 -0.221 0.000 1.041 161 S HN 0.527 nan 8.310 nan 0.000 0.485 162 I N 3.893 124.084 120.570 -0.632 0.000 2.307 162 I HA 0.399 4.569 4.170 -0.001 0.000 0.289 162 I C -0.307 175.206 176.117 -1.008 0.000 1.021 162 I CA -0.776 60.107 61.300 -0.696 0.000 1.224 162 I CB 1.139 38.837 38.000 -0.504 0.000 1.376 162 I HN 0.786 nan 8.210 nan 0.000 0.470 163 I N 7.813 127.733 120.570 -1.084 0.000 2.328 163 I HA 0.592 4.761 4.170 -0.001 0.000 0.287 163 I C -2.796 172.937 176.117 -0.640 0.000 1.012 163 I CA -1.814 58.636 61.300 -1.418 0.000 1.195 163 I CB 1.427 38.659 38.000 -1.281 0.000 1.350 163 I HN 0.242 nan 8.210 nan 0.000 0.464 164 P HA 0.423 nan 4.420 nan 0.000 0.304 164 P C -1.345 175.970 177.300 0.025 0.000 1.406 164 P CA -0.523 62.502 63.100 -0.125 0.000 0.948 164 P CB 1.780 33.436 31.700 -0.074 0.000 0.972 165 L N 6.514 127.676 121.223 -0.101 0.000 2.331 165 L HA 0.725 5.064 4.340 -0.001 0.000 0.275 165 L C -2.452 174.287 176.870 -0.218 0.000 1.022 165 L CA -2.756 52.044 54.840 -0.067 0.000 0.812 165 L CB 0.839 42.887 42.059 -0.019 0.000 1.257 165 L HN 0.204 nan 8.230 nan 0.000 0.435 166 P HA -0.030 nan 4.420 nan 0.000 0.272 166 P C 0.104 177.400 177.300 -0.007 0.000 1.239 166 P CA 0.017 63.086 63.100 -0.053 0.000 0.807 166 P CB 0.413 32.079 31.700 -0.056 0.000 0.951 167 K N 0.477 120.871 120.400 -0.009 0.000 1.991 167 K HA -0.128 4.191 4.320 -0.001 0.000 0.212 167 K C 0.540 177.146 176.600 0.011 0.000 1.049 167 K CA 1.225 57.507 56.287 -0.009 0.000 0.932 167 K CB -0.170 32.308 32.500 -0.037 0.000 0.717 167 K HN 0.280 nan 8.250 nan 0.000 0.441 168 R N 0.676 121.174 120.500 -0.002 0.000 2.457 168 R HA 0.067 4.407 4.340 -0.001 0.000 0.335 168 R C -0.419 175.899 176.300 0.030 0.000 1.003 168 R CA 0.603 56.710 56.100 0.012 0.000 1.003 168 R CB 0.198 30.494 30.300 -0.007 0.000 0.950 168 R HN 0.539 nan 8.270 nan 0.000 0.428 169 G N 4.613 113.456 108.800 0.072 0.000 2.026 169 G HA2 0.013 3.973 3.960 -0.001 0.000 0.208 169 G HA3 0.013 3.973 3.960 -0.001 0.000 0.208 169 G C -2.901 172.094 174.900 0.158 0.000 1.640 169 G CA -1.190 43.971 45.100 0.102 0.000 0.946 169 G HN 0.262 nan 8.290 nan 0.000 0.709 170 P HA 0.075 nan 4.420 nan 0.000 0.271 170 P C -0.317 177.121 177.300 0.230 0.000 1.212 170 P CA 0.065 63.273 63.100 0.180 0.000 0.788 170 P CB 0.533 32.317 31.700 0.140 0.000 0.865 171 W N 3.155 124.440 121.300 -0.026 0.000 2.563 171 W HA 0.354 5.014 4.660 -0.001 0.000 0.301 171 W C -1.630 174.864 176.519 -0.043 0.000 1.006 171 W CA -0.539 56.778 57.345 -0.047 0.000 1.382 171 W CB 0.598 30.035 29.460 -0.037 0.000 1.262 171 W HN 0.167 nan 8.180 nan 0.000 0.403 172 I N 4.513 124.999 120.570 -0.140 0.000 2.577 172 I HA 0.350 4.520 4.170 -0.001 0.000 0.300 172 I C 0.190 176.241 176.117 -0.110 0.000 0.990 172 I CA 0.164 61.412 61.300 -0.087 0.000 1.283 172 I CB 0.985 38.886 38.000 -0.164 0.000 1.411 172 I HN 0.129 nan 8.210 nan 0.000 0.515 173 D N 5.223 125.624 120.400 0.001 0.000 2.970 173 D HA 0.419 5.058 4.640 -0.001 0.000 0.230 173 D C -1.211 175.124 176.300 0.059 0.000 1.276 173 D CA -0.323 53.694 54.000 0.028 0.000 0.910 173 D CB 2.302 43.150 40.800 0.079 0.000 1.590 173 D HN 0.263 nan 8.370 nan 0.000 0.551 174 L N 1.592 122.860 121.223 0.076 0.000 2.294 174 L HA 0.508 4.847 4.340 -0.001 0.000 0.283 174 L C 0.010 176.926 176.870 0.077 0.000 1.015 174 L CA -0.533 54.359 54.840 0.086 0.000 0.831 174 L CB 1.557 43.694 42.059 0.130 0.000 1.217 174 L HN 0.284 nan 8.230 nan 0.000 0.420 175 E N 3.171 123.396 120.200 0.041 0.000 2.272 175 E HA 0.596 4.945 4.350 -0.001 0.000 0.269 175 E C -1.377 175.214 176.600 -0.015 0.000 0.877 175 E CA -0.889 55.526 56.400 0.024 0.000 0.755 175 E CB 2.788 32.509 29.700 0.036 0.000 1.192 175 E HN 0.407 nan 8.360 nan 0.000 0.422 176 V N 1.458 121.347 119.914 -0.042 0.000 2.357 176 V HA 0.547 4.667 4.120 -0.001 0.000 0.284 176 V C -0.410 175.650 176.094 -0.056 0.000 1.018 176 V CA -0.643 61.617 62.300 -0.067 0.000 0.841 176 V CB 1.369 33.119 31.823 -0.123 0.000 0.991 176 V HN 0.845 nan 8.190 nan 0.000 0.437 177 E N 5.175 125.351 120.200 -0.041 0.000 2.969 177 E HA 0.442 4.791 4.350 -0.001 0.000 0.213 177 E C -1.905 174.677 176.600 -0.031 0.000 1.107 177 E CA -1.946 54.434 56.400 -0.033 0.000 1.007 177 E CB 1.252 30.941 29.700 -0.019 0.000 1.326 177 E HN 0.644 nan 8.360 nan 0.000 0.432 178 P HA -0.283 nan 4.420 nan 0.000 0.220 178 P C 0.871 178.157 177.300 -0.024 0.000 1.146 178 P CA 0.868 63.945 63.100 -0.038 0.000 0.816 178 P CB 0.121 31.791 31.700 -0.049 0.000 0.764 179 N N -1.283 117.406 118.700 -0.018 0.000 2.585 179 N HA -0.092 4.648 4.740 -0.001 0.000 0.188 179 N C 1.239 176.746 175.510 -0.005 0.000 1.102 179 N CA 1.605 54.648 53.050 -0.011 0.000 0.920 179 N CB -0.113 38.369 38.487 -0.008 0.000 0.963 179 N HN 0.249 nan 8.380 nan 0.000 0.447 180 G N -1.370 107.428 108.800 -0.004 0.000 4.362 180 G HA2 0.053 4.013 3.960 -0.001 0.000 0.220 180 G HA3 0.053 4.013 3.960 -0.001 0.000 0.220 180 G C -0.703 174.202 174.900 0.008 0.000 0.795 180 G CA -0.270 44.833 45.100 0.005 0.000 0.920 180 G HN 0.099 nan 8.290 nan 0.000 0.715 181 V N 0.638 120.550 119.914 -0.002 0.000 3.007 181 V HA 0.790 4.909 4.120 -0.001 0.000 0.311 181 V C -0.344 175.737 176.094 -0.020 0.000 1.120 181 V CA -0.876 61.422 62.300 -0.004 0.000 0.980 181 V CB 2.333 34.157 31.823 0.002 0.000 1.033 181 V HN 0.331 nan 8.190 nan 0.000 0.429 182 V N 1.370 121.266 119.914 -0.030 0.000 2.680 182 V HA 0.850 4.969 4.120 -0.001 0.000 0.309 182 V C -0.174 175.887 176.094 -0.054 0.000 1.052 182 V CA -0.624 61.647 62.300 -0.047 0.000 0.908 182 V CB 1.904 33.691 31.823 -0.059 0.000 1.001 182 V HN 1.000 nan 8.190 nan 0.000 0.431 183 S N 3.868 119.545 115.700 -0.039 0.000 2.561 183 S HA 0.786 5.255 4.470 -0.001 0.000 0.303 183 S C -0.839 173.752 174.600 -0.014 0.000 1.110 183 S CA -0.626 57.560 58.200 -0.024 0.000 1.034 183 S CB 1.630 64.835 63.200 0.009 0.000 1.010 183 S HN 0.750 nan 8.310 nan 0.000 0.482 184 M N 3.675 123.257 119.600 -0.030 0.000 2.053 184 M HA 0.398 4.878 4.480 -0.001 0.000 0.297 184 M C -1.622 174.769 176.300 0.152 0.000 0.921 184 M CA -0.291 55.030 55.300 0.034 0.000 0.918 184 M CB 1.496 34.053 32.600 -0.071 0.000 1.499 184 M HN 0.777 nan 8.290 nan 0.000 0.422 185 K N 3.452 123.936 120.400 0.139 0.000 2.292 185 K HA 0.489 4.808 4.320 -0.001 0.000 0.257 185 K C 0.511 177.190 176.600 0.132 0.000 0.940 185 K CA -0.690 55.682 56.287 0.142 0.000 0.811 185 K CB 2.349 34.914 32.500 0.108 0.000 1.120 185 K HN 0.502 nan 8.250 nan 0.000 0.428 186 V N -0.486 119.491 119.914 0.104 0.000 2.502 186 V HA -0.008 4.111 4.120 -0.001 0.000 0.234 186 V C 1.486 177.619 176.094 0.065 0.000 1.072 186 V CA 0.487 62.824 62.300 0.061 0.000 1.094 186 V CB -0.491 31.301 31.823 -0.051 0.000 0.761 186 V HN 0.769 nan 8.190 nan 0.000 0.489 187 N N -0.520 118.191 118.700 0.019 0.000 2.305 187 N HA 0.042 4.781 4.740 -0.001 0.000 0.179 187 N C 1.462 176.993 175.510 0.034 0.000 1.019 187 N CA 1.633 54.699 53.050 0.027 0.000 0.869 187 N CB 0.821 39.307 38.487 -0.001 0.000 1.000 187 N HN 0.555 nan 8.380 nan 0.000 0.431 188 K N -1.050 119.370 120.400 0.033 0.000 3.098 188 K HA 0.213 4.532 4.320 -0.001 0.000 0.258 188 K C -0.339 176.289 176.600 0.048 0.000 2.409 188 K CA -0.409 55.901 56.287 0.038 0.000 1.470 188 K CB 0.535 33.048 32.500 0.021 0.000 2.673 188 K HN -0.187 nan 8.250 nan 0.000 0.463 189 R N 2.765 123.286 120.500 0.036 0.000 2.489 189 R HA 0.078 4.418 4.340 -0.001 0.000 0.287 189 R C -0.664 175.689 176.300 0.088 0.000 1.053 189 R CA 0.436 56.564 56.100 0.047 0.000 1.036 189 R CB 0.625 30.943 30.300 0.029 0.000 0.966 189 R HN 0.129 nan 8.270 nan 0.000 0.432 190 K N 3.131 123.589 120.400 0.097 0.000 2.219 190 K HA 0.240 4.560 4.320 -0.001 0.000 0.258 190 K C -0.304 176.417 176.600 0.202 0.000 1.008 190 K CA -0.100 56.266 56.287 0.130 0.000 0.928 190 K CB 0.481 33.018 32.500 0.063 0.000 0.983 190 K HN 0.389 nan 8.250 nan 0.000 0.484 191 F N -1.460 118.487 119.950 -0.005 0.000 2.662 191 F HA 0.487 5.013 4.527 -0.001 0.000 0.312 191 F C -3.092 172.709 175.800 0.002 0.000 1.113 191 F CA -3.234 54.754 58.000 -0.020 0.000 0.951 191 F CB 0.822 39.793 39.000 -0.048 0.000 1.344 191 F HN 0.278 nan 8.300 nan 0.000 0.462 192 P HA 0.050 nan 4.420 nan 0.000 0.260 192 P C 0.504 177.301 177.300 -0.838 0.000 1.172 192 P CA 0.237 63.082 63.100 -0.426 0.000 0.760 192 P CB 0.467 32.102 31.700 -0.109 0.000 0.773 193 L N 4.211 125.153 121.223 -0.469 0.000 2.362 193 L HA -0.142 4.198 4.340 -0.001 0.000 0.219 193 L C 1.985 178.741 176.870 -0.191 0.000 1.134 193 L CA 1.507 56.138 54.840 -0.347 0.000 0.807 193 L CB -0.751 41.256 42.059 -0.087 0.000 0.927 193 L HN 0.259 nan 8.230 nan 0.000 0.447 194 V N -1.939 117.902 119.914 -0.122 0.000 2.599 194 V HA -0.100 4.020 4.120 -0.001 0.000 0.245 194 V C 2.237 178.360 176.094 0.049 0.000 1.046 194 V CA 0.618 62.921 62.300 0.004 0.000 1.065 194 V CB -0.638 31.211 31.823 0.044 0.000 0.703 194 V HN 0.335 nan 8.190 nan 0.000 0.464 195 L N 0.348 121.616 121.223 0.075 0.000 2.197 195 L HA -0.179 4.161 4.340 -0.001 0.000 0.215 195 L C 2.083 179.099 176.870 0.244 0.000 1.095 195 L CA 1.922 56.895 54.840 0.221 0.000 0.764 195 L CB -0.613 41.672 42.059 0.377 0.000 0.897 195 L HN 0.328 nan 8.230 nan 0.000 0.436 196 L N -1.642 119.738 121.223 0.262 0.000 2.049 196 L HA -0.093 4.247 4.340 -0.001 0.000 0.203 196 L C 2.387 179.229 176.870 -0.048 0.000 1.074 196 L CA 1.179 56.073 54.840 0.091 0.000 0.749 196 L CB -0.264 41.813 42.059 0.030 0.000 0.907 196 L HN 0.234 nan 8.230 nan 0.000 0.439 197 L N -0.433 120.781 121.223 -0.014 0.000 2.043 197 L HA -0.283 4.056 4.340 -0.001 0.000 0.212 197 L C 2.801 179.717 176.870 0.078 0.000 1.075 197 L CA 1.497 56.378 54.840 0.068 0.000 0.752 197 L CB -0.522 41.665 42.059 0.214 0.000 0.891 197 L HN 0.280 nan 8.230 nan 0.000 0.432 198 R N -0.853 119.701 120.500 0.090 0.000 2.091 198 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 198 R C 2.239 178.574 176.300 0.058 0.000 1.136 198 R CA 1.219 57.373 56.100 0.090 0.000 0.959 198 R CB -0.535 29.826 30.300 0.102 0.000 0.856 198 R HN 0.148 nan 8.270 nan 0.000 0.437 199 V N 1.210 121.147 119.914 0.038 0.000 2.255 199 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 199 V C 2.145 178.257 176.094 0.029 0.000 1.051 199 V CA 1.866 64.181 62.300 0.026 0.000 1.018 199 V CB -0.335 31.477 31.823 -0.019 0.000 0.641 199 V HN 0.269 nan 8.190 nan 0.000 0.445 200 L N -0.233 120.978 121.223 -0.020 0.000 2.141 200 L HA 0.097 4.437 4.340 -0.001 0.000 0.209 200 L C 1.822 178.649 176.870 -0.071 0.000 1.094 200 L CA 1.579 56.399 54.840 -0.034 0.000 0.763 200 L CB -0.428 41.550 42.059 -0.134 0.000 0.908 200 L HN 0.555 nan 8.230 nan 0.000 0.437 201 G N -3.449 105.312 108.800 -0.064 0.000 2.370 201 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.174 201 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.174 201 G C -0.299 174.632 174.900 0.052 0.000 1.002 201 G CA -0.783 44.300 45.100 -0.028 0.000 0.730 201 G HN -0.009 nan 8.290 nan 0.000 0.497 202 Y N 3.260 123.583 120.300 0.038 0.000 2.486 202 Y HA 0.443 4.992 4.550 -0.001 0.000 0.348 202 Y C 0.693 176.608 175.900 0.024 0.000 1.000 202 Y CA -1.161 56.956 58.100 0.028 0.000 1.253 202 Y CB 0.372 38.847 38.460 0.025 0.000 1.140 202 Y HN 0.423 nan 8.280 nan 0.000 0.526 203 D N 0.469 120.984 120.400 0.191 0.000 2.253 203 D HA 0.146 4.785 4.640 -0.001 0.000 0.249 203 D C 0.725 177.063 176.300 0.063 0.000 1.049 203 D CA -0.598 53.465 54.000 0.105 0.000 0.929 203 D CB 0.901 41.748 40.800 0.078 0.000 1.176 203 D HN 0.473 nan 8.370 nan 0.000 0.437 204 Q N 0.740 120.568 119.800 0.046 0.000 2.156 204 Q HA -0.325 4.015 4.340 -0.001 0.000 0.211 204 Q C 1.596 177.594 176.000 -0.003 0.000 0.995 204 Q CA 2.394 58.210 55.803 0.022 0.000 0.877 204 Q CB -0.310 28.441 28.738 0.021 0.000 0.920 204 Q HN 0.797 nan 8.270 nan 0.000 0.416 205 E N 0.059 120.260 120.200 0.001 0.000 2.028 205 E HA -0.130 4.220 4.350 -0.001 0.000 0.190 205 E C 1.987 178.569 176.600 -0.030 0.000 0.984 205 E CA 1.640 58.033 56.400 -0.012 0.000 0.800 205 E CB -0.766 28.933 29.700 -0.002 0.000 0.758 205 E HN 0.070 nan 8.360 nan 0.000 0.448 206 T N -0.051 114.490 114.554 -0.022 0.000 2.788 206 T HA -0.048 4.301 4.350 -0.001 0.000 0.268 206 T C 1.617 176.241 174.700 -0.128 0.000 1.044 206 T CA 1.059 63.131 62.100 -0.047 0.000 1.139 206 T CB -0.291 68.576 68.868 -0.002 0.000 0.867 206 T HN 0.242 nan 8.240 nan 0.000 0.454 207 L N 0.409 121.542 121.223 -0.151 0.000 1.961 207 L HA 0.055 4.395 4.340 -0.001 0.000 0.209 207 L C 2.884 179.614 176.870 -0.232 0.000 1.075 207 L CA 1.699 56.385 54.840 -0.256 0.000 0.749 207 L CB -0.840 41.122 42.059 -0.163 0.000 0.890 207 L HN 0.320 nan 8.230 nan 0.000 0.433 208 A N -0.047 122.682 122.820 -0.153 0.000 1.892 208 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 208 A C 2.233 179.726 177.584 -0.151 0.000 1.188 208 A CA 2.283 54.236 52.037 -0.139 0.000 0.631 208 A CB -0.617 18.346 19.000 -0.063 0.000 0.822 208 A HN 0.492 nan 8.150 nan 0.000 0.447 209 R N -0.689 119.743 120.500 -0.113 0.000 2.062 209 R HA 0.001 4.341 4.340 -0.001 0.000 0.229 209 R C 2.271 178.513 176.300 -0.097 0.000 1.128 209 R CA 1.532 57.581 56.100 -0.086 0.000 0.960 209 R CB -0.242 30.026 30.300 -0.054 0.000 0.855 209 R HN 0.679 nan 8.270 nan 0.000 0.432 210 E N -0.045 120.085 120.200 -0.117 0.000 2.076 210 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 210 E C 1.802 178.328 176.600 -0.124 0.000 0.979 210 E CA 0.912 57.254 56.400 -0.096 0.000 0.807 210 E CB 0.020 29.657 29.700 -0.105 0.000 0.761 210 E HN 0.105 nan 8.360 nan 0.000 0.454 211 L N -0.267 120.804 121.223 -0.254 0.000 2.034 211 L HA 0.076 4.415 4.340 -0.001 0.000 0.203 211 L C 1.743 178.234 176.870 -0.632 0.000 1.074 211 L CA 2.186 56.791 54.840 -0.392 0.000 0.748 211 L CB -0.397 41.335 42.059 -0.545 0.000 0.905 211 L HN 0.014 nan 8.230 nan 0.000 0.439 212 G N -1.750 106.666 108.800 -0.640 0.000 3.707 212 G HA2 0.384 4.344 3.960 -0.001 0.000 0.286 212 G HA3 0.384 4.344 3.960 -0.001 0.000 0.286 212 G C 1.154 175.854 174.900 -0.333 0.000 1.112 212 G CA 0.342 45.054 45.100 -0.646 0.000 0.861 212 G HN 0.618 nan 8.290 nan 0.000 0.534 213 A N 0.861 123.554 122.820 -0.212 0.000 1.902 213 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 213 A C 1.981 179.562 177.584 -0.005 0.000 1.181 213 A CA 1.627 53.627 52.037 -0.061 0.000 0.623 213 A CB -0.577 18.428 19.000 0.008 0.000 0.818 213 A HN 0.829 nan 8.150 nan 0.000 0.443 214 Y N -1.240 119.048 120.300 -0.019 0.000 2.529 214 Y HA 0.462 5.012 4.550 -0.001 0.000 0.290 214 Y C 0.763 176.686 175.900 0.039 0.000 1.177 214 Y CA -0.386 57.713 58.100 -0.002 0.000 1.305 214 Y CB -0.553 37.895 38.460 -0.019 0.000 1.047 214 Y HN 0.125 nan 8.280 nan 0.000 0.522 215 G N 2.087 110.698 108.800 -0.314 0.000 2.990 215 G HA2 0.197 4.157 3.960 -0.001 0.000 0.300 215 G HA3 0.197 4.157 3.960 -0.001 0.000 0.300 215 G C 0.349 175.283 174.900 0.057 0.000 1.498 215 G CA -0.428 44.613 45.100 -0.099 0.000 1.074 215 G HN 0.322 nan 8.290 nan 0.000 0.542 216 E N 3.005 123.226 120.200 0.035 0.000 2.331 216 E HA -0.168 4.182 4.350 -0.001 0.000 0.199 216 E C 1.493 178.116 176.600 0.037 0.000 1.008 216 E CA 0.489 56.904 56.400 0.026 0.000 0.843 216 E CB -0.173 29.529 29.700 0.003 0.000 0.761 216 E HN 0.626 nan 8.360 nan 0.000 0.507 217 L N 0.673 121.914 121.223 0.030 0.000 2.456 217 L HA -0.052 4.287 4.340 -0.001 0.000 0.224 217 L C 2.480 179.417 176.870 0.111 0.000 1.148 217 L CA 0.146 54.922 54.840 -0.107 0.000 0.825 217 L CB -0.419 41.281 42.059 -0.598 0.000 0.937 217 L HN -0.037 nan 8.230 nan 0.000 0.450 218 V N 0.073 120.209 119.914 0.370 0.000 2.568 218 V HA -0.323 3.796 4.120 -0.001 0.000 0.253 218 V C 2.494 178.659 176.094 0.118 0.000 1.072 218 V CA 1.723 64.190 62.300 0.279 0.000 1.084 218 V CB -0.264 31.607 31.823 0.081 0.000 0.676 218 V HN 0.558 nan 8.190 nan 0.000 0.469 219 Q N -0.658 119.182 119.800 0.067 0.000 2.224 219 Q HA -0.118 4.222 4.340 -0.001 0.000 0.203 219 Q C 2.212 178.226 176.000 0.024 0.000 0.970 219 Q CA 1.410 57.230 55.803 0.029 0.000 0.865 219 Q CB -0.354 28.390 28.738 0.010 0.000 0.922 219 Q HN 0.723 nan 8.270 nan 0.000 0.445 220 G N 0.470 109.283 108.800 0.022 0.000 2.511 220 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.217 220 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.217 220 G C 1.357 176.277 174.900 0.032 0.000 1.133 220 G CA 0.676 45.781 45.100 0.009 0.000 0.792 220 G HN 0.362 nan 8.290 nan 0.000 0.539 221 L N 0.125 121.389 121.223 0.069 0.000 2.068 221 L HA 0.229 4.569 4.340 -0.001 0.000 0.204 221 L C 2.479 179.380 176.870 0.052 0.000 1.076 221 L CA 1.946 56.833 54.840 0.077 0.000 0.753 221 L CB -0.660 41.473 42.059 0.124 0.000 0.910 221 L HN 0.268 nan 8.230 nan 0.000 0.439 222 M N -2.008 117.616 119.600 0.040 0.000 2.628 222 M HA 0.131 4.611 4.480 -0.001 0.000 0.232 222 M C 1.017 177.328 176.300 0.018 0.000 1.128 222 M CA 0.427 55.743 55.300 0.026 0.000 1.040 222 M CB -0.675 31.933 32.600 0.013 0.000 1.608 222 M HN 0.198 nan 8.290 nan 0.000 0.507 223 D N 2.346 122.760 120.400 0.024 0.000 2.095 223 D HA -0.095 4.545 4.640 -0.001 0.000 0.192 223 D C 0.731 177.036 176.300 0.007 0.000 0.990 223 D CA 1.307 55.316 54.000 0.015 0.000 0.836 223 D CB 0.033 40.847 40.800 0.022 0.000 0.979 223 D HN 0.381 nan 8.370 nan 0.000 0.447 224 E N 1.133 121.359 120.200 0.043 0.000 1.999 224 E HA 0.005 4.355 4.350 -0.001 0.000 0.296 224 E C 0.885 177.442 176.600 -0.072 0.000 1.187 224 E CA -0.064 56.346 56.400 0.017 0.000 1.229 224 E CB 0.537 30.399 29.700 0.270 0.000 1.131 224 E HN 0.051 nan 8.360 nan 0.000 0.478 225 S N 1.566 117.195 115.700 -0.119 0.000 2.382 225 S HA -0.157 4.313 4.470 -0.001 0.000 0.228 225 S C 1.966 176.448 174.600 -0.196 0.000 1.027 225 S CA 1.212 59.347 58.200 -0.107 0.000 0.991 225 S CB 0.042 63.191 63.200 -0.084 0.000 0.823 225 S HN 0.435 nan 8.310 nan 0.000 0.469 226 V N 0.865 120.532 119.914 -0.411 0.000 2.317 226 V HA -0.221 3.899 4.120 -0.001 0.000 0.251 226 V C 1.716 177.584 176.094 -0.377 0.000 1.065 226 V CA 2.570 64.564 62.300 -0.510 0.000 1.049 226 V CB -0.745 30.575 31.823 -0.838 0.000 0.651 226 V HN 0.721 nan 8.190 nan 0.000 0.450 227 F N 0.545 120.512 119.950 0.027 0.000 2.387 227 F HA 0.363 4.890 4.527 -0.001 0.000 0.294 227 F C 2.411 178.233 175.800 0.036 0.000 1.093 227 F CA 0.685 58.705 58.000 0.034 0.000 1.420 227 F CB -0.711 38.315 39.000 0.043 0.000 1.086 227 F HN 0.201 nan 8.300 nan 0.000 0.531 228 A N -0.177 122.736 122.820 0.154 0.000 2.248 228 A HA -0.047 4.273 4.320 -0.001 0.000 0.210 228 A C 1.685 179.311 177.584 0.070 0.000 1.174 228 A CA 0.982 53.084 52.037 0.109 0.000 0.750 228 A CB -0.549 18.497 19.000 0.076 0.000 0.780 228 A HN 0.246 nan 8.150 nan 0.000 0.478 229 M N -0.157 119.474 119.600 0.051 0.000 2.428 229 M HA 0.136 4.615 4.480 -0.001 0.000 0.239 229 M C 0.481 176.809 176.300 0.046 0.000 1.121 229 M CA 0.214 55.534 55.300 0.033 0.000 1.019 229 M CB 0.001 32.604 32.600 0.004 0.000 1.485 229 M HN 0.448 nan 8.290 nan 0.000 0.484 230 R N -1.449 119.093 120.500 0.070 0.000 2.422 230 R HA 0.500 4.839 4.340 -0.001 0.000 0.307 230 R C -2.732 173.610 176.300 0.071 0.000 1.004 230 R CA -1.502 54.638 56.100 0.066 0.000 0.882 230 R CB 0.596 30.939 30.300 0.071 0.000 1.164 230 R HN -0.082 nan 8.270 nan 0.000 0.489 231 P HA -0.221 nan 4.420 nan 0.000 0.198 231 P C 0.985 178.319 177.300 0.056 0.000 1.043 231 P CA 0.734 63.868 63.100 0.058 0.000 0.892 231 P CB 0.184 31.913 31.700 0.048 0.000 0.701 232 E N -0.357 119.871 120.200 0.048 0.000 2.273 232 E HA -0.261 4.089 4.350 -0.001 0.000 0.198 232 E C 1.938 178.560 176.600 0.037 0.000 1.002 232 E CA 0.990 57.418 56.400 0.046 0.000 0.828 232 E CB -0.252 29.469 29.700 0.035 0.000 0.747 232 E HN 0.265 nan 8.360 nan 0.000 0.491 233 E N -0.770 119.452 120.200 0.037 0.000 2.268 233 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 233 E C 1.750 178.375 176.600 0.043 0.000 0.995 233 E CA 0.639 57.059 56.400 0.033 0.000 0.836 233 E CB -0.013 29.712 29.700 0.042 0.000 0.763 233 E HN 0.381 nan 8.360 nan 0.000 0.491 234 A N 0.472 123.327 122.820 0.058 0.000 1.969 234 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 234 A C 2.016 179.627 177.584 0.046 0.000 1.169 234 A CA 0.653 52.727 52.037 0.062 0.000 0.635 234 A CB -0.362 18.687 19.000 0.082 0.000 0.810 234 A HN 0.217 nan 8.150 nan 0.000 0.445 235 L N -0.383 120.872 121.223 0.053 0.000 1.989 235 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 235 L C 2.444 179.406 176.870 0.154 0.000 1.071 235 L CA 1.651 56.539 54.840 0.080 0.000 0.749 235 L CB -0.441 41.670 42.059 0.087 0.000 0.890 235 L HN 0.391 nan 8.230 nan 0.000 0.431 236 I N -1.150 119.457 120.570 0.062 0.000 2.315 236 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 236 I C 2.732 178.893 176.117 0.074 0.000 1.117 236 I CA 1.050 62.355 61.300 0.008 0.000 1.404 236 I CB -0.383 37.570 38.000 -0.078 0.000 1.071 236 I HN 0.198 nan 8.210 nan 0.000 0.419 237 R N 0.702 121.224 120.500 0.037 0.000 2.083 237 R HA -0.164 4.176 4.340 -0.001 0.000 0.237 237 R C 2.412 178.700 176.300 -0.020 0.000 1.137 237 R CA 1.463 57.563 56.100 0.000 0.000 0.951 237 R CB -0.295 29.996 30.300 -0.015 0.000 0.851 237 R HN 0.360 nan 8.270 nan 0.000 0.434 238 L N -0.389 120.813 121.223 -0.036 0.000 2.093 238 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 238 L C 1.994 178.790 176.870 -0.123 0.000 1.085 238 L CA 1.087 55.826 54.840 -0.169 0.000 0.755 238 L CB -0.230 41.636 42.059 -0.321 0.000 0.904 238 L HN 0.169 nan 8.230 nan 0.000 0.435 239 F N 0.367 120.221 119.950 -0.160 0.000 2.115 239 F HA -0.351 4.176 4.527 -0.000 0.000 0.300 239 F C 2.523 178.265 175.800 -0.097 0.000 1.092 239 F CA 2.350 60.282 58.000 -0.114 0.000 1.245 239 F CB -0.498 38.457 39.000 -0.076 0.000 0.995 239 F HN 0.075 nan 8.300 nan 0.000 0.481 240 T N 0.312 114.943 114.554 0.128 0.000 2.833 240 T HA -0.192 4.158 4.350 -0.001 0.000 0.269 240 T C 2.112 176.804 174.700 -0.013 0.000 1.054 240 T CA 1.151 63.278 62.100 0.045 0.000 1.135 240 T CB -0.475 68.402 68.868 0.014 0.000 0.869 240 T HN 0.228 nan 8.240 nan 0.000 0.466 241 L N 0.051 121.239 121.223 -0.058 0.000 2.027 241 L HA 0.129 4.468 4.340 -0.001 0.000 0.206 241 L C 1.061 177.878 176.870 -0.088 0.000 1.074 241 L CA 0.812 55.601 54.840 -0.085 0.000 0.745 241 L CB -0.174 41.806 42.059 -0.131 0.000 0.898 241 L HN 0.237 nan 8.230 nan 0.000 0.433 242 L N 0.503 121.649 121.223 -0.127 0.000 2.482 242 L HA 0.019 4.358 4.340 -0.001 0.000 0.273 242 L C 0.218 177.055 176.870 -0.054 0.000 1.228 242 L CA 0.277 55.050 54.840 -0.111 0.000 0.827 242 L CB 0.353 42.312 42.059 -0.167 0.000 1.099 242 L HN 0.311 nan 8.230 nan 0.000 0.494 243 R N 2.172 122.650 120.500 -0.037 0.000 2.500 243 R HA 0.499 4.839 4.340 -0.001 0.000 0.299 243 R C -2.666 173.631 176.300 -0.004 0.000 1.038 243 R CA -1.160 54.931 56.100 -0.015 0.000 0.903 243 R CB 1.085 31.377 30.300 -0.014 0.000 1.177 243 R HN 0.372 nan 8.270 nan 0.000 0.455 244 P HA 0.293 nan 4.420 nan 0.000 0.440 244 P C -0.282 177.028 177.300 0.017 0.000 1.045 244 P CA 0.442 63.550 63.100 0.013 0.000 1.822 244 P CB 1.249 32.961 31.700 0.021 0.000 1.238 245 G N 0.965 109.778 108.800 0.023 0.000 2.919 245 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.225 245 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.225 245 G C -1.067 173.852 174.900 0.032 0.000 1.117 245 G CA -0.610 44.504 45.100 0.023 0.000 1.033 245 G HN 0.133 nan 8.290 nan 0.000 0.532 246 D N 0.319 120.750 120.400 0.051 0.000 2.332 246 D HA 0.571 5.211 4.640 -0.001 0.000 0.252 246 D C -1.997 174.333 176.300 0.051 0.000 1.050 246 D CA -1.340 52.702 54.000 0.070 0.000 0.970 246 D CB 1.194 42.073 40.800 0.132 0.000 1.141 246 D HN 0.100 nan 8.370 nan 0.000 0.485 247 P HA 0.165 nan 4.420 nan 0.000 0.270 247 P C -1.936 175.324 177.300 -0.067 0.000 1.242 247 P CA -0.802 62.291 63.100 -0.011 0.000 0.768 247 P CB 0.437 32.131 31.700 -0.011 0.000 0.820 248 P HA -0.200 nan 4.420 nan 0.000 0.217 248 P C -0.041 177.080 177.300 -0.299 0.000 1.151 248 P CA 1.549 64.557 63.100 -0.154 0.000 0.849 248 P CB -0.034 31.611 31.700 -0.092 0.000 0.787 249 K N 0.107 120.379 120.400 -0.214 0.000 2.276 249 K HA 0.409 4.729 4.320 -0.001 0.000 0.285 249 K C -0.111 176.342 176.600 -0.245 0.000 1.062 249 K CA -0.406 55.743 56.287 -0.230 0.000 0.918 249 K CB 1.171 33.597 32.500 -0.124 0.000 1.055 249 K HN -0.173 nan 8.250 nan 0.000 0.477 250 R N 3.484 123.777 120.500 -0.345 0.000 2.986 250 R HA -0.008 4.332 4.340 -0.001 0.000 0.193 250 R C -0.459 175.712 176.300 -0.214 0.000 1.533 250 R CA -0.231 55.727 56.100 -0.235 0.000 1.112 250 R CB 0.119 30.326 30.300 -0.156 0.000 1.546 250 R HN 0.926 nan 8.270 nan 0.000 0.605 251 D N 1.663 121.990 120.400 -0.122 0.000 2.984 251 D HA -0.267 4.373 4.640 -0.001 0.000 0.266 251 D C 0.138 176.434 176.300 -0.007 0.000 1.083 251 D CA 1.941 55.903 54.000 -0.063 0.000 0.985 251 D CB 0.270 41.055 40.800 -0.026 0.000 1.137 251 D HN 0.371 nan 8.370 nan 0.000 0.495 252 K N -0.759 119.630 120.400 -0.017 0.000 2.860 252 K HA 0.453 4.773 4.320 -0.001 0.000 0.204 252 K C 0.627 177.068 176.600 -0.264 0.000 1.127 252 K CA 0.016 56.276 56.287 -0.045 0.000 1.050 252 K CB 1.539 33.916 32.500 -0.206 0.000 0.745 252 K HN 0.086 nan 8.250 nan 0.000 0.459 253 A N 0.449 123.306 122.820 0.061 0.000 1.826 253 A HA -0.047 4.272 4.320 -0.001 0.000 0.214 253 A C 1.973 179.663 177.584 0.176 0.000 1.212 253 A CA 1.219 53.373 52.037 0.195 0.000 0.605 253 A CB -0.571 18.579 19.000 0.249 0.000 0.861 253 A HN 0.119 nan 8.150 nan 0.000 0.447 254 V N -0.038 119.978 119.914 0.170 0.000 2.548 254 V HA -0.111 4.009 4.120 -0.001 0.000 0.249 254 V C 2.913 178.964 176.094 -0.072 0.000 1.055 254 V CA 1.724 63.990 62.300 -0.056 0.000 1.065 254 V CB -0.641 30.963 31.823 -0.365 0.000 0.681 254 V HN 0.605 nan 8.190 nan 0.000 0.462 255 A N -1.276 121.482 122.820 -0.103 0.000 2.024 255 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 255 A C 2.002 179.477 177.584 -0.181 0.000 1.164 255 A CA 1.809 53.648 52.037 -0.330 0.000 0.643 255 A CB -0.677 17.741 19.000 -0.970 0.000 0.806 255 A HN 0.607 nan 8.150 nan 0.000 0.451 256 Y N 0.145 120.447 120.300 0.003 0.000 2.181 256 Y HA -0.160 4.389 4.550 -0.001 0.000 0.288 256 Y C 2.643 178.467 175.900 -0.126 0.000 1.146 256 Y CA 1.068 59.223 58.100 0.091 0.000 1.164 256 Y CB -0.831 37.678 38.460 0.082 0.000 0.982 256 Y HN 0.147 nan 8.280 nan 0.000 0.515 257 V N -1.661 118.123 119.914 -0.216 0.000 2.490 257 V HA -0.288 3.831 4.120 -0.001 0.000 0.250 257 V C 1.206 176.876 176.094 -0.707 0.000 1.061 257 V CA 1.691 63.635 62.300 -0.595 0.000 1.064 257 V CB -1.181 30.043 31.823 -0.998 0.000 0.670 257 V HN 0.392 nan 8.190 nan 0.000 0.461 258 Y N 0.660 120.982 120.300 0.037 0.000 2.493 258 Y HA 0.549 5.099 4.550 -0.001 0.000 0.275 258 Y C 1.798 177.758 175.900 0.101 0.000 1.183 258 Y CA 0.109 58.240 58.100 0.052 0.000 1.258 258 Y CB -0.167 38.307 38.460 0.023 0.000 1.108 258 Y HN 0.205 nan 8.280 nan 0.000 0.521 259 G N 0.292 109.171 108.800 0.132 0.000 2.992 259 G HA2 0.111 4.070 3.960 -0.001 0.000 0.201 259 G HA3 0.111 4.070 3.960 -0.001 0.000 0.201 259 G C 0.872 175.879 174.900 0.177 0.000 2.057 259 G CA 0.332 45.571 45.100 0.230 0.000 0.800 259 G HN 0.200 nan 8.290 nan 0.000 0.700 260 L N -0.167 121.148 121.223 0.153 0.000 2.189 260 L HA 0.443 4.782 4.340 -0.001 0.000 0.199 260 L C 2.319 179.198 176.870 0.015 0.000 1.074 260 L CA 1.071 55.966 54.840 0.091 0.000 0.783 260 L CB -0.669 41.444 42.059 0.089 0.000 0.955 260 L HN 0.376 nan 8.230 nan 0.000 0.460 261 I N 0.212 120.745 120.570 -0.061 0.000 3.233 261 I HA 0.127 4.297 4.170 -0.001 0.000 0.228 261 I C 2.462 178.553 176.117 -0.044 0.000 1.039 261 I CA 0.684 61.937 61.300 -0.078 0.000 1.455 261 I CB -0.993 36.913 38.000 -0.156 0.000 1.311 261 I HN 0.303 nan 8.210 nan 0.000 0.437 262 A N 1.288 124.067 122.820 -0.070 0.000 2.037 262 A HA -0.218 4.101 4.320 -0.001 0.000 0.200 262 A C 1.874 179.439 177.584 -0.032 0.000 1.230 262 A CA 2.108 54.111 52.037 -0.057 0.000 0.695 262 A CB -1.118 17.835 19.000 -0.078 0.000 0.883 262 A HN 0.505 nan 8.150 nan 0.000 0.502 263 D N 0.626 121.005 120.400 -0.037 0.000 2.421 263 D HA -0.108 4.531 4.640 -0.001 0.000 0.195 263 D C -1.025 175.290 176.300 0.025 0.000 1.022 263 D CA 1.719 55.723 54.000 0.005 0.000 0.871 263 D CB -2.370 38.444 40.800 0.023 0.000 1.026 263 D HN 0.302 nan 8.370 nan 0.000 0.462 264 P HA 0.060 nan 4.420 nan 0.000 0.281 264 P C 0.081 177.421 177.300 0.067 0.000 1.274 264 P CA 0.121 63.264 63.100 0.071 0.000 0.794 264 P CB 0.508 32.274 31.700 0.111 0.000 1.201 265 R N 0.103 120.704 120.500 0.169 0.000 2.888 265 R HA 0.368 4.708 4.340 -0.001 0.000 0.266 265 R C 0.673 177.191 176.300 0.362 0.000 1.020 265 R CA -0.731 55.435 56.100 0.110 0.000 0.963 265 R CB 1.041 31.149 30.300 -0.320 0.000 1.197 265 R HN 0.235 nan 8.270 nan 0.000 0.481 266 R N 1.548 122.176 120.500 0.214 0.000 2.328 266 R HA 0.033 4.373 4.340 -0.001 0.000 0.200 266 R C -0.331 176.128 176.300 0.265 0.000 0.983 266 R CA 0.066 56.279 56.100 0.188 0.000 1.062 266 R CB -0.359 29.997 30.300 0.092 0.000 0.956 266 R HN 0.488 nan 8.270 nan 0.000 0.479 267 Y N 0.204 120.515 120.300 0.019 0.000 2.717 267 Y HA -0.013 4.537 4.550 -0.001 0.000 0.330 267 Y C 0.129 176.046 175.900 0.027 0.000 1.217 267 Y CA -1.465 56.647 58.100 0.020 0.000 1.506 267 Y CB 0.125 38.599 38.460 0.022 0.000 1.268 267 Y HN -0.127 nan 8.280 nan 0.000 0.561 268 D N 3.681 124.136 120.400 0.092 0.000 3.046 268 D HA -0.185 4.454 4.640 -0.001 0.000 0.213 268 D C -0.092 176.169 176.300 -0.066 0.000 1.074 268 D CA 0.763 54.772 54.000 0.016 0.000 0.785 268 D CB 0.565 41.376 40.800 0.018 0.000 1.160 268 D HN 0.697 nan 8.370 nan 0.000 0.524 269 L N 2.814 124.017 121.223 -0.033 0.000 2.530 269 L HA 0.284 4.624 4.340 -0.001 0.000 0.273 269 L C 1.352 178.209 176.870 -0.021 0.000 1.141 269 L CA 0.823 55.637 54.840 -0.043 0.000 0.905 269 L CB -0.203 41.855 42.059 -0.001 0.000 1.202 269 L HN 0.696 nan 8.230 nan 0.000 0.473 270 G N 3.459 112.241 108.800 -0.030 0.000 3.131 270 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.198 270 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.198 270 G C 0.751 175.721 174.900 0.118 0.000 1.435 270 G CA 0.242 45.363 45.100 0.035 0.000 1.016 270 G HN 0.592 nan 8.290 nan 0.000 0.499 271 E N 0.496 120.755 120.200 0.098 0.000 2.453 271 E HA 0.493 4.843 4.350 -0.001 0.000 0.211 271 E C 2.546 179.144 176.600 -0.003 0.000 0.897 271 E CA 0.541 57.038 56.400 0.163 0.000 1.063 271 E CB 0.610 30.300 29.700 -0.016 0.000 1.080 271 E HN 0.510 nan 8.360 nan 0.000 0.512 272 A N 1.227 123.999 122.820 -0.081 0.000 1.835 272 A HA -0.076 4.244 4.320 -0.001 0.000 0.215 272 A C 2.193 179.742 177.584 -0.058 0.000 1.199 272 A CA 2.093 54.088 52.037 -0.071 0.000 0.615 272 A CB -0.863 18.036 19.000 -0.169 0.000 0.838 272 A HN 0.322 nan 8.150 nan 0.000 0.444 273 G N -2.006 106.533 108.800 -0.434 0.000 2.720 273 G HA2 0.054 4.014 3.960 -0.001 0.000 0.204 273 G HA3 0.054 4.014 3.960 -0.001 0.000 0.204 273 G C 1.509 176.397 174.900 -0.020 0.000 1.113 273 G CA 0.602 45.620 45.100 -0.136 0.000 0.805 273 G HN 0.460 nan 8.290 nan 0.000 0.536 274 R N -0.764 119.701 120.500 -0.058 0.000 2.303 274 R HA -0.070 4.270 4.340 -0.001 0.000 0.225 274 R C 1.693 178.033 176.300 0.067 0.000 1.114 274 R CA 0.792 56.893 56.100 0.002 0.000 1.007 274 R CB -0.293 30.003 30.300 -0.008 0.000 0.861 274 R HN 0.419 nan 8.270 nan 0.000 0.471 275 Y N 0.506 120.789 120.300 -0.028 0.000 2.153 275 Y HA -0.090 4.459 4.550 -0.001 0.000 0.289 275 Y C 1.944 177.829 175.900 -0.024 0.000 1.127 275 Y CA 1.571 59.666 58.100 -0.009 0.000 1.131 275 Y CB 0.028 38.505 38.460 0.029 0.000 0.995 275 Y HN -0.070 nan 8.280 nan 0.000 0.505 276 K N -0.165 120.335 120.400 0.167 0.000 2.360 276 K HA -0.123 4.197 4.320 -0.001 0.000 0.201 276 K C 1.835 178.443 176.600 0.013 0.000 1.046 276 K CA 0.819 57.160 56.287 0.091 0.000 0.940 276 K CB -0.213 32.351 32.500 0.107 0.000 0.748 276 K HN 0.316 nan 8.250 nan 0.000 0.465 277 A N 0.787 123.600 122.820 -0.011 0.000 1.991 277 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 277 A C 1.903 179.437 177.584 -0.082 0.000 1.487 277 A CA 0.902 52.906 52.037 -0.055 0.000 0.603 277 A CB -0.862 18.111 19.000 -0.045 0.000 1.112 277 A HN 0.244 nan 8.150 nan 0.000 0.492 278 E N -0.368 119.781 120.200 -0.085 0.000 2.164 278 E HA -0.351 3.998 4.350 -0.001 0.000 0.206 278 E C 1.896 178.432 176.600 -0.107 0.000 1.032 278 E CA 2.274 58.615 56.400 -0.099 0.000 0.832 278 E CB -0.097 29.533 29.700 -0.117 0.000 0.742 278 E HN 0.701 nan 8.360 nan 0.000 0.460 279 E N 0.298 120.430 120.200 -0.112 0.000 2.021 279 E HA -0.139 4.211 4.350 -0.001 0.000 0.189 279 E C 1.828 178.379 176.600 -0.082 0.000 0.980 279 E CA 1.473 57.817 56.400 -0.093 0.000 0.803 279 E CB -0.060 29.585 29.700 -0.092 0.000 0.766 279 E HN 0.115 nan 8.360 nan 0.000 0.449 280 K N -0.118 120.238 120.400 -0.074 0.000 1.985 280 K HA 0.060 4.380 4.320 -0.001 0.000 0.210 280 K C 0.752 177.155 176.600 -0.328 0.000 1.047 280 K CA 1.561 57.811 56.287 -0.063 0.000 0.932 280 K CB -0.222 32.302 32.500 0.040 0.000 0.716 280 K HN 0.326 nan 8.250 nan 0.000 0.439 281 L N -4.492 116.509 121.223 -0.370 0.000 2.622 281 L HA 0.544 4.884 4.340 -0.001 0.000 0.258 281 L C -1.063 175.650 176.870 -0.262 0.000 0.996 281 L CA -0.765 53.676 54.840 -0.665 0.000 0.858 281 L CB 1.931 43.588 42.059 -0.670 0.000 1.449 281 L HN 0.289 nan 8.230 nan 0.000 0.411 282 G N 1.758 110.455 108.800 -0.172 0.000 3.106 282 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.352 282 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.352 282 G C 0.108 174.979 174.900 -0.049 0.000 0.563 282 G CA 0.326 45.396 45.100 -0.050 0.000 0.945 282 G HN 0.876 nan 8.290 nan 0.000 0.470 283 I N 1.832 122.387 120.570 -0.024 0.000 3.226 283 I HA 0.101 4.271 4.170 -0.001 0.000 0.277 283 I C 1.680 177.785 176.117 -0.020 0.000 1.243 283 I CA 0.755 62.037 61.300 -0.030 0.000 1.459 283 I CB -0.102 37.887 38.000 -0.018 0.000 1.093 283 I HN 0.401 nan 8.210 nan 0.000 0.453 284 R N 0.866 121.365 120.500 -0.002 0.000 2.750 284 R HA 0.719 5.059 4.340 -0.001 0.000 0.281 284 R C -1.113 175.192 176.300 0.009 0.000 0.972 284 R CA -0.680 55.421 56.100 0.003 0.000 0.912 284 R CB 2.781 33.091 30.300 0.016 0.000 1.187 284 R HN -0.005 nan 8.270 nan 0.000 0.464 285 L N 1.702 122.927 121.223 0.004 0.000 2.628 285 L HA 0.257 4.596 4.340 -0.001 0.000 0.258 285 L C -1.320 175.553 176.870 0.005 0.000 1.027 285 L CA -0.119 54.724 54.840 0.005 0.000 0.910 285 L CB 1.789 43.840 42.059 -0.013 0.000 1.157 285 L HN 0.583 nan 8.230 nan 0.000 0.452 286 S N 1.472 117.183 115.700 0.019 0.000 2.578 286 S HA 0.929 5.399 4.470 -0.001 0.000 0.301 286 S C -0.097 174.523 174.600 0.033 0.000 1.091 286 S CA 0.401 58.614 58.200 0.022 0.000 1.032 286 S CB 1.854 65.070 63.200 0.025 0.000 1.064 286 S HN 0.998 nan 8.310 nan 0.000 0.508 287 G N 2.954 111.775 108.800 0.035 0.000 2.850 287 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.686 287 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.686 287 G C 0.244 175.165 174.900 0.036 0.000 1.164 287 G CA -0.089 45.041 45.100 0.051 0.000 0.826 287 G HN 0.780 nan 8.290 nan 0.000 0.586 288 R N 0.556 121.080 120.500 0.040 0.000 2.088 288 R HA 0.031 4.371 4.340 -0.001 0.000 0.232 288 R C 1.675 177.992 176.300 0.029 0.000 1.136 288 R CA 2.203 58.311 56.100 0.013 0.000 0.926 288 R CB -0.284 30.053 30.300 0.060 0.000 0.837 288 R HN 0.708 nan 8.270 nan 0.000 0.429 289 T N 0.276 114.886 114.554 0.093 0.000 2.676 289 T HA 0.316 4.666 4.350 -0.001 0.000 0.269 289 T C -0.357 174.409 174.700 0.111 0.000 0.952 289 T CA -0.847 61.318 62.100 0.107 0.000 1.040 289 T CB 0.696 69.665 68.868 0.169 0.000 1.352 289 T HN 0.260 nan 8.240 nan 0.000 0.554 290 L N 0.530 121.825 121.223 0.119 0.000 2.827 290 L HA 0.512 4.851 4.340 -0.001 0.000 0.293 290 L C -0.123 176.861 176.870 0.191 0.000 1.156 290 L CA -0.408 54.528 54.840 0.159 0.000 1.145 290 L CB -1.564 40.611 42.059 0.194 0.000 1.474 290 L HN 0.595 nan 8.230 nan 0.000 0.442 291 A N 4.748 127.678 122.820 0.183 0.000 2.449 291 A HA 0.940 5.260 4.320 -0.001 0.000 0.302 291 A C -0.335 177.384 177.584 0.225 0.000 1.048 291 A CA -0.816 51.345 52.037 0.207 0.000 0.708 291 A CB 1.851 20.945 19.000 0.157 0.000 1.274 291 A HN 0.792 nan 8.150 nan 0.000 0.410 292 R N 1.019 121.699 120.500 0.300 0.000 3.513 292 R HA 0.315 4.655 4.340 -0.001 0.000 0.243 292 R C -1.845 174.684 176.300 0.381 0.000 1.033 292 R CA -0.290 55.974 56.100 0.273 0.000 1.083 292 R CB 0.626 31.022 30.300 0.160 0.000 1.246 292 R HN 1.466 nan 8.270 nan 0.000 0.526 293 F N 2.862 122.867 119.950 0.091 0.000 2.790 293 F HA 0.379 4.905 4.527 -0.001 0.000 0.347 293 F C 0.565 176.397 175.800 0.053 0.000 1.252 293 F CA -0.505 57.594 58.000 0.165 0.000 1.109 293 F CB 0.314 39.415 39.000 0.170 0.000 1.205 293 F HN 0.596 nan 8.300 nan 0.000 0.510 294 E N 0.908 120.944 120.200 -0.273 0.000 2.060 294 E HA -0.093 4.257 4.350 -0.001 0.000 0.189 294 E C 0.305 176.765 176.600 -0.233 0.000 0.974 294 E CA 1.549 57.740 56.400 -0.347 0.000 0.808 294 E CB 0.120 29.687 29.700 -0.222 0.000 0.768 294 E HN 0.457 nan 8.360 nan 0.000 0.453 295 D N -1.820 118.462 120.400 -0.196 0.000 2.500 295 D HA 0.201 4.841 4.640 -0.001 0.000 0.217 295 D C 0.807 176.989 176.300 -0.197 0.000 1.159 295 D CA 0.774 54.675 54.000 -0.164 0.000 0.828 295 D CB 1.230 41.952 40.800 -0.130 0.000 1.039 295 D HN 0.370 nan 8.370 nan 0.000 0.512 296 G N 1.407 110.021 108.800 -0.310 0.000 2.253 296 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.251 296 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.251 296 G C 0.306 174.830 174.900 -0.628 0.000 0.998 296 G CA 0.267 45.115 45.100 -0.421 0.000 0.621 296 G HN 0.343 nan 8.290 nan 0.000 0.524 297 E N 1.199 121.133 120.200 -0.444 0.000 2.081 297 E HA 0.520 4.870 4.350 -0.001 0.000 0.276 297 E C -0.511 175.918 176.600 -0.285 0.000 0.950 297 E CA -0.844 55.400 56.400 -0.262 0.000 0.776 297 E CB 0.110 29.748 29.700 -0.103 0.000 1.094 297 E HN 0.158 nan 8.360 nan 0.000 0.402 298 F N 3.324 123.281 119.950 0.012 0.000 2.418 298 F HA 0.236 4.763 4.527 -0.001 0.000 0.341 298 F C 0.926 176.725 175.800 -0.002 0.000 1.120 298 F CA -0.368 57.652 58.000 0.033 0.000 1.232 298 F CB 0.703 39.731 39.000 0.047 0.000 1.175 298 F HN 0.314 nan 8.300 nan 0.000 0.569 299 K N 1.287 121.799 120.400 0.187 0.000 2.292 299 K HA 0.469 4.788 4.320 -0.001 0.000 0.257 299 K C -1.713 174.964 176.600 0.128 0.000 0.940 299 K CA -0.833 55.509 56.287 0.092 0.000 0.811 299 K CB 1.730 34.270 32.500 0.066 0.000 1.120 299 K HN 0.636 nan 8.250 nan 0.000 0.428 300 D N 3.530 123.980 120.400 0.083 0.000 2.378 300 D HA 0.063 4.702 4.640 -0.001 0.000 0.265 300 D C -0.333 176.067 176.300 0.168 0.000 1.229 300 D CA -0.526 53.574 54.000 0.166 0.000 0.914 300 D CB 1.186 42.130 40.800 0.239 0.000 1.140 300 D HN 0.690 nan 8.370 nan 0.000 0.516 301 E N 0.567 120.854 120.200 0.144 0.000 2.511 301 E HA -0.020 4.330 4.350 -0.001 0.000 0.196 301 E C 1.255 177.938 176.600 0.138 0.000 1.066 301 E CA 0.083 56.568 56.400 0.142 0.000 0.871 301 E CB 1.142 30.902 29.700 0.101 0.000 0.863 301 E HN 0.322 nan 8.360 nan 0.000 0.520 302 V N -0.778 119.224 119.914 0.147 0.000 3.048 302 V HA -0.003 4.116 4.120 -0.001 0.000 0.241 302 V C 1.531 177.682 176.094 0.096 0.000 1.129 302 V CA 0.393 62.740 62.300 0.079 0.000 1.128 302 V CB -0.107 31.719 31.823 0.004 0.000 0.849 302 V HN 0.133 nan 8.190 nan 0.000 0.475 303 F N 0.535 120.552 119.950 0.111 0.000 2.134 303 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 303 F C 2.145 178.042 175.800 0.162 0.000 1.097 303 F CA 2.567 60.642 58.000 0.126 0.000 1.264 303 F CB 0.048 39.124 39.000 0.126 0.000 1.001 303 F HN 0.306 nan 8.300 nan 0.000 0.479 304 L N 0.340 121.812 121.223 0.415 0.000 2.072 304 L HA 0.045 4.385 4.340 -0.001 0.000 0.205 304 L C -1.027 175.969 176.870 0.209 0.000 1.079 304 L CA 1.401 56.431 54.840 0.317 0.000 0.752 304 L CB -2.007 40.274 42.059 0.371 0.000 0.906 304 L HN -0.140 nan 8.230 nan 0.000 0.436 305 P HA -0.165 nan 4.420 nan 0.000 0.218 305 P C 1.681 179.104 177.300 0.205 0.000 1.148 305 P CA 2.343 65.534 63.100 0.152 0.000 0.822 305 P CB -0.352 31.408 31.700 0.099 0.000 0.784 306 T N -2.359 112.325 114.554 0.217 0.000 2.708 306 T HA -0.169 4.181 4.350 -0.001 0.000 0.266 306 T C 1.747 176.675 174.700 0.380 0.000 1.037 306 T CA 1.005 63.306 62.100 0.335 0.000 1.146 306 T CB -1.264 67.698 68.868 0.157 0.000 0.865 306 T HN -0.096 nan 8.240 nan 0.000 0.435 307 L N 1.154 122.565 121.223 0.313 0.000 2.093 307 L HA 0.235 4.574 4.340 -0.001 0.000 0.208 307 L C 2.848 179.967 176.870 0.414 0.000 1.085 307 L CA 1.328 56.390 54.840 0.370 0.000 0.755 307 L CB -1.017 41.266 42.059 0.374 0.000 0.904 307 L HN 0.224 nan 8.230 nan 0.000 0.435 308 R N -2.010 118.635 120.500 0.241 0.000 2.112 308 R HA -0.277 4.063 4.340 -0.001 0.000 0.242 308 R C 2.238 178.687 176.300 0.248 0.000 1.137 308 R CA 2.307 58.505 56.100 0.164 0.000 0.944 308 R CB -0.515 29.884 30.300 0.166 0.000 0.857 308 R HN 0.329 nan 8.270 nan 0.000 0.435 309 Y N -0.184 120.109 120.300 -0.012 0.000 2.395 309 Y HA -0.111 4.439 4.550 -0.001 0.000 0.293 309 Y C 1.856 177.567 175.900 -0.315 0.000 1.123 309 Y CA 0.759 58.704 58.100 -0.257 0.000 1.227 309 Y CB -0.045 38.052 38.460 -0.605 0.000 1.012 309 Y HN 0.063 nan 8.280 nan 0.000 0.552 310 L N -1.371 119.840 121.223 -0.021 0.000 2.109 310 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 310 L C 1.950 178.839 176.870 0.033 0.000 1.086 310 L CA 1.624 56.468 54.840 0.006 0.000 0.760 310 L CB -0.893 41.248 42.059 0.136 0.000 0.910 310 L HN 0.115 nan 8.230 nan 0.000 0.437 311 F N -0.649 119.273 119.950 -0.047 0.000 2.134 311 F HA -0.230 4.297 4.527 -0.001 0.000 0.299 311 F C 2.417 178.195 175.800 -0.038 0.000 1.097 311 F CA 1.411 59.366 58.000 -0.074 0.000 1.264 311 F CB -0.646 38.257 39.000 -0.162 0.000 1.001 311 F HN 0.184 nan 8.300 nan 0.000 0.479 312 A N -0.207 122.708 122.820 0.159 0.000 1.854 312 A HA -0.139 4.180 4.320 -0.001 0.000 0.214 312 A C 2.001 179.507 177.584 -0.130 0.000 1.192 312 A CA 1.382 53.444 52.037 0.041 0.000 0.611 312 A CB -1.121 17.754 19.000 -0.209 0.000 0.832 312 A HN 0.335 nan 8.150 nan 0.000 0.442 313 L N 0.867 121.929 121.223 -0.269 0.000 2.127 313 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 313 L C 2.444 179.367 176.870 0.087 0.000 1.089 313 L CA 3.037 57.745 54.840 -0.220 0.000 0.757 313 L CB -1.044 40.821 42.059 -0.323 0.000 0.899 313 L HN 0.553 nan 8.230 nan 0.000 0.434 314 T N -3.604 111.031 114.554 0.136 0.000 2.942 314 T HA 0.115 4.465 4.350 -0.001 0.000 0.265 314 T C 1.853 176.606 174.700 0.089 0.000 1.062 314 T CA 0.692 62.898 62.100 0.177 0.000 1.139 314 T CB -0.642 68.239 68.868 0.021 0.000 0.883 314 T HN 0.349 nan 8.240 nan 0.000 0.468 315 A N 1.653 124.517 122.820 0.074 0.000 1.854 315 A HA 0.611 4.930 4.320 -0.001 0.000 0.214 315 A C 1.718 179.337 177.584 0.058 0.000 1.192 315 A CA 1.245 53.331 52.037 0.083 0.000 0.611 315 A CB -0.913 18.193 19.000 0.176 0.000 0.832 315 A HN 0.832 nan 8.150 nan 0.000 0.442 316 G N -2.555 106.261 108.800 0.027 0.000 2.818 316 G HA2 0.372 4.332 3.960 -0.001 0.000 0.109 316 G HA3 0.372 4.332 3.960 -0.001 0.000 0.109 316 G C -1.170 173.693 174.900 -0.060 0.000 1.206 316 G CA 0.392 45.493 45.100 0.002 0.000 1.243 316 G HN 0.448 nan 8.290 nan 0.000 0.609 317 V N 2.903 122.746 119.914 -0.118 0.000 2.412 317 V HA 0.288 4.408 4.120 -0.001 0.000 0.270 317 V C -1.374 174.554 176.094 -0.278 0.000 1.169 317 V CA -0.595 61.551 62.300 -0.257 0.000 1.319 317 V CB 0.641 32.286 31.823 -0.295 0.000 1.467 317 V HN 0.421 nan 8.190 nan 0.000 0.535 318 P HA 0.042 nan 4.420 nan 0.000 0.218 318 P C 0.855 178.013 177.300 -0.237 0.000 1.148 318 P CA 1.271 64.213 63.100 -0.262 0.000 0.822 318 P CB 0.297 31.804 31.700 -0.322 0.000 0.784 319 G N -2.959 105.662 108.800 -0.297 0.000 2.523 319 G HA2 0.216 4.176 3.960 -0.001 0.000 0.291 319 G HA3 0.216 4.176 3.960 -0.001 0.000 0.291 319 G C -1.779 172.909 174.900 -0.352 0.000 1.450 319 G CA -0.584 44.345 45.100 -0.284 0.000 0.790 319 G HN -0.094 nan 8.290 nan 0.000 0.496 320 H N 1.977 121.003 119.070 -0.072 0.000 2.908 320 H HA 0.184 4.739 4.556 -0.000 0.000 0.269 320 H C -0.117 175.163 175.328 -0.080 0.000 1.303 320 H CA -0.156 55.844 56.048 -0.080 0.000 1.341 320 H CB 0.851 30.580 29.762 -0.055 0.000 1.519 320 H HN 0.442 nan 8.280 nan 0.000 0.505 321 E N 3.191 123.359 120.200 -0.053 0.000 1.972 321 E HA 0.148 4.497 4.350 -0.001 0.000 0.292 321 E C -0.198 176.371 176.600 -0.052 0.000 1.193 321 E CA -0.346 56.038 56.400 -0.027 0.000 1.228 321 E CB 0.058 29.654 29.700 -0.173 0.000 1.167 321 E HN 0.168 nan 8.360 nan 0.000 0.479 322 V N 1.396 121.299 119.914 -0.018 0.000 2.483 322 V HA 0.197 4.317 4.120 -0.001 0.000 0.297 322 V C -0.132 175.958 176.094 -0.006 0.000 1.027 322 V CA -0.982 61.291 62.300 -0.046 0.000 0.855 322 V CB 2.129 33.912 31.823 -0.067 0.000 0.995 322 V HN 0.268 nan 8.190 nan 0.000 0.424 323 D N 3.113 123.513 120.400 -0.001 0.000 2.396 323 D HA 0.149 4.789 4.640 -0.001 0.000 0.225 323 D C -0.451 175.817 176.300 -0.054 0.000 1.121 323 D CA -0.144 53.817 54.000 -0.065 0.000 0.853 323 D CB 1.698 42.410 40.800 -0.147 0.000 1.043 323 D HN 0.531 nan 8.370 nan 0.000 0.500 324 D N 3.498 123.890 120.400 -0.013 0.000 2.367 324 D HA 0.027 4.667 4.640 -0.001 0.000 0.255 324 D C 1.670 177.961 176.300 -0.015 0.000 1.300 324 D CA -0.192 53.836 54.000 0.047 0.000 0.959 324 D CB 0.385 41.296 40.800 0.186 0.000 1.064 324 D HN 0.407 nan 8.370 nan 0.000 0.509 325 I N 1.963 122.503 120.570 -0.051 0.000 2.229 325 I HA -0.314 3.855 4.170 -0.001 0.000 0.250 325 I C 1.104 177.166 176.117 -0.091 0.000 1.096 325 I CA 1.156 62.403 61.300 -0.087 0.000 1.358 325 I CB -0.028 37.964 38.000 -0.013 0.000 1.047 325 I HN 0.278 nan 8.210 nan 0.000 0.422 326 D N -0.357 119.968 120.400 -0.125 0.000 2.346 326 D HA -0.045 4.595 4.640 -0.001 0.000 0.248 326 D C 0.605 176.510 176.300 -0.658 0.000 1.173 326 D CA 0.449 54.268 54.000 -0.302 0.000 0.878 326 D CB -0.567 40.068 40.800 -0.275 0.000 0.919 326 D HN 0.310 nan 8.370 nan 0.000 0.513 327 H N 0.932 119.777 119.070 -0.374 0.000 2.742 327 H HA 0.051 4.607 4.556 -0.000 0.000 0.302 327 H C 1.205 176.454 175.328 -0.131 0.000 1.069 327 H CA -0.450 55.475 56.048 -0.205 0.000 1.446 327 H CB 1.138 30.848 29.762 -0.086 0.000 1.462 327 H HN -0.047 nan 8.280 nan 0.000 0.499 328 L N 4.186 125.371 121.223 -0.065 0.000 2.263 328 L HA -0.129 4.211 4.340 -0.001 0.000 0.216 328 L C 2.551 179.495 176.870 0.123 0.000 1.111 328 L CA 1.682 56.540 54.840 0.031 0.000 0.773 328 L CB -0.342 41.729 42.059 0.020 0.000 0.906 328 L HN 0.796 nan 8.230 nan 0.000 0.439 329 G N -1.618 107.261 108.800 0.133 0.000 2.625 329 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.214 329 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.214 329 G C 1.404 176.210 174.900 -0.157 0.000 1.132 329 G CA 0.638 45.669 45.100 -0.116 0.000 0.782 329 G HN 0.395 nan 8.290 nan 0.000 0.538 330 N N -0.534 118.161 118.700 -0.008 0.000 2.606 330 N HA 0.128 4.867 4.740 -0.001 0.000 0.208 330 N C 0.766 176.345 175.510 0.116 0.000 1.046 330 N CA -0.016 53.031 53.050 -0.004 0.000 0.891 330 N CB 0.287 38.665 38.487 -0.181 0.000 1.344 330 N HN 0.049 nan 8.380 nan 0.000 0.437 331 R N 1.877 122.438 120.500 0.102 0.000 2.205 331 R HA 0.209 4.549 4.340 -0.001 0.000 0.342 331 R C 0.084 176.510 176.300 0.210 0.000 1.058 331 R CA -0.309 55.868 56.100 0.129 0.000 0.904 331 R CB 0.823 31.161 30.300 0.064 0.000 1.089 331 R HN 0.234 nan 8.270 nan 0.000 0.471 332 R N 2.774 123.430 120.500 0.260 0.000 2.549 332 R HA 0.326 4.666 4.340 -0.001 0.000 0.267 332 R C -0.762 175.645 176.300 0.178 0.000 1.045 332 R CA -0.564 55.671 56.100 0.224 0.000 1.115 332 R CB 0.760 31.137 30.300 0.129 0.000 1.121 332 R HN 0.236 nan 8.270 nan 0.000 0.543 333 I N 2.074 122.676 120.570 0.054 0.000 2.354 333 I HA 0.350 4.520 4.170 -0.001 0.000 0.292 333 I C 0.106 176.207 176.117 -0.026 0.000 0.989 333 I CA -0.575 60.736 61.300 0.018 0.000 1.188 333 I CB 1.745 39.749 38.000 0.008 0.000 1.342 333 I HN 0.513 nan 8.210 nan 0.000 0.457 334 R N 4.252 124.726 120.500 -0.044 0.000 2.205 334 R HA 0.371 4.711 4.340 -0.001 0.000 0.342 334 R C -0.070 176.213 176.300 -0.029 0.000 1.058 334 R CA -0.460 55.603 56.100 -0.061 0.000 0.904 334 R CB 0.508 30.737 30.300 -0.119 0.000 1.089 334 R HN 0.721 nan 8.270 nan 0.000 0.471 335 T N -1.331 113.214 114.554 -0.016 0.000 2.899 335 T HA 0.069 4.419 4.350 -0.001 0.000 0.295 335 T C 1.829 176.562 174.700 0.056 0.000 1.033 335 T CA -0.942 61.167 62.100 0.015 0.000 1.084 335 T CB 1.313 70.188 68.868 0.012 0.000 0.979 335 T HN 0.178 nan 8.240 nan 0.000 0.532 336 V N 3.315 123.288 119.914 0.099 0.000 2.242 336 V HA -0.295 3.825 4.120 -0.001 0.000 0.257 336 V C 2.932 179.169 176.094 0.238 0.000 1.073 336 V CA 2.680 65.091 62.300 0.186 0.000 1.058 336 V CB -1.856 30.113 31.823 0.244 0.000 0.664 336 V HN 1.174 nan 8.190 nan 0.000 0.451 337 G N -0.979 107.962 108.800 0.235 0.000 2.599 337 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.219 337 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.219 337 G C 1.518 176.458 174.900 0.067 0.000 1.193 337 G CA 1.292 46.490 45.100 0.163 0.000 0.778 337 G HN 0.637 nan 8.290 nan 0.000 0.589 338 E N 0.023 120.240 120.200 0.028 0.000 2.097 338 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 338 E C 2.623 179.191 176.600 -0.053 0.000 1.000 338 E CA 1.029 57.418 56.400 -0.018 0.000 0.804 338 E CB -0.210 29.473 29.700 -0.028 0.000 0.740 338 E HN 0.448 nan 8.360 nan 0.000 0.454 339 L N 0.333 121.542 121.223 -0.023 0.000 2.079 339 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 339 L C 2.728 179.407 176.870 -0.318 0.000 1.081 339 L CA 1.236 56.017 54.840 -0.099 0.000 0.752 339 L CB -0.354 41.791 42.059 0.143 0.000 0.896 339 L HN 0.323 nan 8.230 nan 0.000 0.433 340 M N -1.252 118.307 119.600 -0.069 0.000 2.160 340 M HA -0.151 4.328 4.480 -0.001 0.000 0.264 340 M C 2.468 178.707 176.300 -0.100 0.000 1.073 340 M CA 1.803 57.048 55.300 -0.090 0.000 1.142 340 M CB -0.548 32.193 32.600 0.234 0.000 1.358 340 M HN 0.228 nan 8.290 nan 0.000 0.422 341 T N 0.894 115.416 114.554 -0.053 0.000 2.721 341 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 341 T C 1.373 176.061 174.700 -0.020 0.000 1.038 341 T CA 2.005 64.103 62.100 -0.004 0.000 1.145 341 T CB -0.245 68.609 68.868 -0.023 0.000 0.858 341 T HN 0.354 nan 8.240 nan 0.000 0.459 342 D N -0.043 120.285 120.400 -0.120 0.000 2.097 342 D HA -0.042 4.598 4.640 -0.001 0.000 0.197 342 D C 2.277 178.462 176.300 -0.192 0.000 0.984 342 D CA 1.048 54.956 54.000 -0.154 0.000 0.826 342 D CB -0.293 40.392 40.800 -0.191 0.000 0.973 342 D HN 0.344 nan 8.370 nan 0.000 0.460 343 Q N -0.286 119.322 119.800 -0.318 0.000 2.167 343 Q HA -0.049 4.291 4.340 -0.001 0.000 0.202 343 Q C 1.881 177.828 176.000 -0.088 0.000 0.970 343 Q CA 0.717 56.344 55.803 -0.292 0.000 0.855 343 Q CB -0.456 27.949 28.738 -0.555 0.000 0.911 343 Q HN 0.345 nan 8.270 nan 0.000 0.438 344 F N -0.123 119.706 119.950 -0.202 0.000 2.186 344 F HA -0.160 4.367 4.527 -0.001 0.000 0.299 344 F C 1.917 177.616 175.800 -0.168 0.000 1.090 344 F CA 0.971 58.872 58.000 -0.165 0.000 1.307 344 F CB 0.203 39.092 39.000 -0.186 0.000 1.019 344 F HN -0.007 nan 8.300 nan 0.000 0.489 345 R N -0.340 120.060 120.500 -0.167 0.000 2.073 345 R HA -0.105 4.235 4.340 -0.001 0.000 0.229 345 R C 2.079 178.258 176.300 -0.202 0.000 1.120 345 R CA 1.478 57.444 56.100 -0.224 0.000 0.967 345 R CB -0.699 29.525 30.300 -0.127 0.000 0.862 345 R HN 0.199 nan 8.270 nan 0.000 0.436 346 V N 0.476 120.297 119.914 -0.155 0.000 2.332 346 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 346 V C 2.374 178.388 176.094 -0.133 0.000 1.055 346 V CA 2.177 64.399 62.300 -0.129 0.000 1.038 346 V CB -1.034 30.721 31.823 -0.114 0.000 0.651 346 V HN 0.563 nan 8.190 nan 0.000 0.450 347 G N -0.383 108.329 108.800 -0.146 0.000 2.433 347 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.216 347 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.216 347 G C 1.572 176.355 174.900 -0.195 0.000 1.186 347 G CA 1.031 46.048 45.100 -0.138 0.000 0.779 347 G HN 0.411 nan 8.290 nan 0.000 0.543 348 L N 1.253 122.286 121.223 -0.316 0.000 2.081 348 L HA -0.054 4.285 4.340 -0.001 0.000 0.212 348 L C 3.179 179.925 176.870 -0.208 0.000 1.080 348 L CA 2.067 56.716 54.840 -0.319 0.000 0.754 348 L CB -0.443 41.366 42.059 -0.416 0.000 0.893 348 L HN 0.279 nan 8.230 nan 0.000 0.433 349 A N -0.925 121.792 122.820 -0.172 0.000 1.898 349 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 349 A C 2.360 179.880 177.584 -0.106 0.000 1.181 349 A CA 1.411 53.372 52.037 -0.126 0.000 0.620 349 A CB -0.442 18.494 19.000 -0.107 0.000 0.819 349 A HN 0.435 nan 8.150 nan 0.000 0.442 350 R N -1.021 119.419 120.500 -0.101 0.000 2.120 350 R HA -0.089 4.251 4.340 -0.001 0.000 0.234 350 R C 2.094 178.348 176.300 -0.078 0.000 1.123 350 R CA 1.353 57.407 56.100 -0.077 0.000 0.975 350 R CB -0.579 29.682 30.300 -0.065 0.000 0.866 350 R HN 0.521 nan 8.270 nan 0.000 0.446 351 L N 0.829 121.991 121.223 -0.101 0.000 1.988 351 L HA -0.022 4.317 4.340 -0.001 0.000 0.207 351 L C 2.306 179.111 176.870 -0.108 0.000 1.071 351 L CA 1.952 56.732 54.840 -0.100 0.000 0.744 351 L CB -0.640 41.344 42.059 -0.126 0.000 0.893 351 L HN 0.091 nan 8.230 nan 0.000 0.433 352 A N -0.581 122.158 122.820 -0.135 0.000 2.131 352 A HA -0.219 4.101 4.320 -0.001 0.000 0.220 352 A C 2.351 179.880 177.584 -0.091 0.000 1.158 352 A CA 1.766 53.724 52.037 -0.131 0.000 0.665 352 A CB -0.618 18.297 19.000 -0.142 0.000 0.795 352 A HN 0.559 nan 8.150 nan 0.000 0.460 353 R N -1.117 119.336 120.500 -0.077 0.000 2.055 353 R HA -0.031 4.308 4.340 -0.001 0.000 0.228 353 R C 2.515 178.787 176.300 -0.047 0.000 1.143 353 R CA 1.152 57.217 56.100 -0.057 0.000 0.945 353 R CB -0.691 29.579 30.300 -0.051 0.000 0.841 353 R HN 0.485 nan 8.270 nan 0.000 0.429 354 G N 0.323 109.095 108.800 -0.046 0.000 2.422 354 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 354 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 354 G C 1.416 176.296 174.900 -0.034 0.000 1.146 354 G CA 0.737 45.816 45.100 -0.034 0.000 0.769 354 G HN 0.247 nan 8.290 nan 0.000 0.547 355 V N 0.721 120.607 119.914 -0.047 0.000 2.407 355 V HA -0.124 3.996 4.120 -0.001 0.000 0.248 355 V C 2.854 178.926 176.094 -0.036 0.000 1.055 355 V CA 2.084 64.357 62.300 -0.045 0.000 1.049 355 V CB -0.393 31.387 31.823 -0.072 0.000 0.662 355 V HN 0.393 nan 8.190 nan 0.000 0.455 356 R N -0.351 120.125 120.500 -0.040 0.000 2.105 356 R HA -0.181 4.158 4.340 -0.001 0.000 0.239 356 R C 2.253 178.541 176.300 -0.019 0.000 1.135 356 R CA 1.937 58.018 56.100 -0.031 0.000 0.967 356 R CB -0.340 29.939 30.300 -0.034 0.000 0.861 356 R HN 0.639 nan 8.270 nan 0.000 0.442 357 E N 0.211 120.401 120.200 -0.018 0.000 2.150 357 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 357 E C 1.681 178.278 176.600 -0.005 0.000 0.985 357 E CA 0.715 57.109 56.400 -0.010 0.000 0.814 357 E CB 0.089 29.782 29.700 -0.011 0.000 0.752 357 E HN 0.213 nan 8.360 nan 0.000 0.466 358 R N -0.015 120.481 120.500 -0.006 0.000 2.310 358 R HA 0.151 4.491 4.340 -0.001 0.000 0.202 358 R C 1.894 178.198 176.300 0.007 0.000 0.933 358 R CA -0.057 56.045 56.100 0.002 0.000 1.054 358 R CB 0.160 30.461 30.300 0.002 0.000 0.985 358 R HN 0.141 nan 8.270 nan 0.000 0.489 359 M N 0.538 120.139 119.600 0.002 0.000 2.506 359 M HA 0.010 4.490 4.480 -0.001 0.000 0.260 359 M C 0.934 177.245 176.300 0.017 0.000 1.104 359 M CA 1.373 56.678 55.300 0.007 0.000 1.112 359 M CB 0.353 32.950 32.600 -0.004 0.000 1.401 359 M HN 0.157 nan 8.290 nan 0.000 0.473 360 L N -2.506 118.725 121.223 0.013 0.000 2.470 360 L HA 0.115 4.455 4.340 -0.001 0.000 0.219 360 L C 2.195 179.076 176.870 0.017 0.000 1.071 360 L CA 0.060 54.909 54.840 0.016 0.000 0.850 360 L CB -0.649 41.416 42.059 0.010 0.000 1.040 360 L HN 0.126 nan 8.230 nan 0.000 0.475 361 M N 1.234 120.843 119.600 0.015 0.000 2.077 361 M HA 0.043 4.523 4.480 -0.001 0.000 0.261 361 M C 1.266 177.578 176.300 0.021 0.000 1.070 361 M CA 1.204 56.513 55.300 0.015 0.000 1.125 361 M CB -0.469 32.138 32.600 0.012 0.000 1.339 361 M HN 0.346 nan 8.290 nan 0.000 0.409 362 G N 0.198 109.014 108.800 0.027 0.000 2.272 362 G HA2 0.099 4.059 3.960 -0.001 0.000 0.247 362 G HA3 0.099 4.059 3.960 -0.001 0.000 0.247 362 G C 0.530 175.451 174.900 0.035 0.000 1.272 362 G CA -0.257 44.863 45.100 0.035 0.000 0.921 362 G HN 0.330 nan 8.290 nan 0.000 0.495 363 S N 1.733 117.449 115.700 0.027 0.000 2.502 363 S HA -0.086 4.383 4.470 -0.001 0.000 0.219 363 S C 1.441 176.055 174.600 0.022 0.000 1.064 363 S CA 0.966 59.179 58.200 0.021 0.000 1.173 363 S CB -0.132 63.077 63.200 0.014 0.000 1.118 363 S HN 0.717 nan 8.310 nan 0.000 0.406 364 E N 0.057 120.266 120.200 0.014 0.000 3.032 364 E HA 0.203 4.553 4.350 -0.001 0.000 0.229 364 E C 1.154 177.753 176.600 -0.002 0.000 0.857 364 E CA -0.089 56.309 56.400 -0.003 0.000 1.257 364 E CB -0.339 29.344 29.700 -0.029 0.000 1.676 364 E HN 0.345 nan 8.360 nan 0.000 0.480 365 D N -0.299 120.036 120.400 -0.110 0.000 2.178 365 D HA -0.101 4.538 4.640 -0.001 0.000 0.202 365 D C 0.462 176.765 176.300 0.005 0.000 0.974 365 D CA 0.749 54.589 54.000 -0.267 0.000 0.841 365 D CB -0.045 40.289 40.800 -0.777 0.000 0.953 365 D HN 0.030 nan 8.370 nan 0.000 0.478 366 S N -0.722 114.985 115.700 0.011 0.000 2.700 366 S HA 0.291 4.761 4.470 -0.001 0.000 0.321 366 S C 0.073 174.722 174.600 0.083 0.000 1.161 366 S CA -0.516 57.721 58.200 0.061 0.000 1.078 366 S CB -0.593 62.626 63.200 0.032 0.000 1.302 366 S HN 0.340 nan 8.310 nan 0.000 0.540 367 L N 3.331 124.628 121.223 0.124 0.000 3.510 367 L HA 0.309 4.649 4.340 -0.001 0.000 0.324 367 L C 1.337 178.255 176.870 0.080 0.000 1.307 367 L CA -0.380 54.516 54.840 0.094 0.000 1.011 367 L CB -0.031 42.088 42.059 0.099 0.000 1.422 367 L HN 0.305 nan 8.230 nan 0.000 0.617 368 T N 0.012 114.617 114.554 0.086 0.000 2.706 368 T HA 0.059 4.409 4.350 -0.001 0.000 0.255 368 T C -0.709 174.034 174.700 0.072 0.000 1.048 368 T CA 1.412 63.556 62.100 0.074 0.000 1.153 368 T CB -0.560 68.355 68.868 0.079 0.000 0.865 368 T HN 0.203 nan 8.240 nan 0.000 0.414 369 P HA 0.091 nan 4.420 nan 0.000 0.197 369 P C 1.469 178.814 177.300 0.074 0.000 1.076 369 P CA 1.109 64.259 63.100 0.084 0.000 0.876 369 P CB -0.373 31.377 31.700 0.083 0.000 0.705 370 A N -0.568 122.291 122.820 0.065 0.000 1.969 370 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 370 A C 2.063 179.672 177.584 0.040 0.000 1.169 370 A CA 1.427 53.495 52.037 0.052 0.000 0.635 370 A CB -1.066 17.962 19.000 0.047 0.000 0.810 370 A HN 0.087 nan 8.150 nan 0.000 0.445 371 K N -0.951 119.474 120.400 0.042 0.000 2.148 371 K HA -0.020 4.300 4.320 -0.001 0.000 0.204 371 K C 1.353 177.967 176.600 0.024 0.000 1.050 371 K CA 0.929 57.236 56.287 0.034 0.000 0.942 371 K CB -0.219 32.306 32.500 0.042 0.000 0.724 371 K HN 0.406 nan 8.250 nan 0.000 0.446 372 L N -0.254 120.984 121.223 0.025 0.000 2.470 372 L HA 0.070 4.410 4.340 -0.001 0.000 0.219 372 L C 0.305 177.172 176.870 -0.004 0.000 1.071 372 L CA 0.441 55.284 54.840 0.005 0.000 0.850 372 L CB 0.588 42.650 42.059 0.004 0.000 1.040 372 L HN -0.261 nan 8.230 nan 0.000 0.475 373 V N 1.399 121.324 119.914 0.018 0.000 2.513 373 V HA 0.484 4.604 4.120 -0.001 0.000 0.299 373 V C -0.651 175.458 176.094 0.026 0.000 1.035 373 V CA -0.801 61.509 62.300 0.018 0.000 0.889 373 V CB 1.604 33.460 31.823 0.054 0.000 0.988 373 V HN 0.427 nan 8.190 nan 0.000 0.440 374 N N 1.883 120.591 118.700 0.013 0.000 2.430 374 N HA 0.200 4.940 4.740 -0.001 0.000 0.290 374 N C -0.135 175.383 175.510 0.013 0.000 1.063 374 N CA -0.557 52.500 53.050 0.013 0.000 0.883 374 N CB 2.104 40.592 38.487 0.002 0.000 1.465 374 N HN 0.399 nan 8.380 nan 0.000 0.493 375 S N 1.665 117.377 115.700 0.021 0.000 2.603 375 S HA 0.094 4.563 4.470 -0.001 0.000 0.220 375 S C 1.434 176.047 174.600 0.021 0.000 0.967 375 S CA -0.137 58.080 58.200 0.028 0.000 0.920 375 S CB -0.008 63.210 63.200 0.030 0.000 0.773 375 S HN 0.552 nan 8.310 nan 0.000 0.529 376 R N 1.134 121.640 120.500 0.010 0.000 2.236 376 R HA 0.032 4.372 4.340 -0.001 0.000 0.208 376 R C -1.003 175.304 176.300 0.012 0.000 1.036 376 R CA 0.599 56.706 56.100 0.011 0.000 1.001 376 R CB -0.914 29.389 30.300 0.005 0.000 0.896 376 R HN 0.359 nan 8.270 nan 0.000 0.464 377 P HA -0.089 nan 4.420 nan 0.000 0.214 377 P C 1.217 178.520 177.300 0.006 0.000 1.167 377 P CA 0.549 63.647 63.100 -0.005 0.000 0.882 377 P CB 0.058 31.743 31.700 -0.025 0.000 0.777 378 L N 0.093 121.319 121.223 0.006 0.000 2.079 378 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 378 L C 2.112 179.030 176.870 0.081 0.000 1.081 378 L CA 1.914 56.772 54.840 0.030 0.000 0.752 378 L CB -0.981 41.099 42.059 0.035 0.000 0.896 378 L HN -0.042 nan 8.230 nan 0.000 0.433 379 E N -0.931 119.312 120.200 0.073 0.000 2.007 379 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 379 E C 2.196 178.849 176.600 0.088 0.000 0.999 379 E CA 1.225 57.679 56.400 0.089 0.000 0.811 379 E CB -0.336 29.405 29.700 0.068 0.000 0.762 379 E HN 0.598 nan 8.360 nan 0.000 0.450 380 A N 1.200 124.056 122.820 0.060 0.000 1.948 380 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 380 A C 2.285 179.912 177.584 0.071 0.000 1.177 380 A CA 2.040 54.111 52.037 0.056 0.000 0.636 380 A CB -0.774 18.246 19.000 0.033 0.000 0.815 380 A HN 0.362 nan 8.150 nan 0.000 0.449 381 A N 0.172 123.032 122.820 0.065 0.000 1.835 381 A HA -0.082 4.238 4.320 -0.001 0.000 0.215 381 A C 2.126 179.787 177.584 0.127 0.000 1.199 381 A CA 1.592 53.668 52.037 0.065 0.000 0.615 381 A CB -0.751 18.265 19.000 0.027 0.000 0.838 381 A HN 0.499 nan 8.150 nan 0.000 0.444 382 I N -0.041 120.635 120.570 0.177 0.000 2.179 382 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 382 I C 2.698 179.043 176.117 0.379 0.000 1.088 382 I CA 1.865 63.347 61.300 0.304 0.000 1.357 382 I CB -0.495 37.703 38.000 0.331 0.000 1.051 382 I HN 0.499 nan 8.210 nan 0.000 0.409 383 R N 1.683 122.337 120.500 0.256 0.000 2.105 383 R HA -0.245 4.094 4.340 -0.001 0.000 0.239 383 R C 1.987 178.406 176.300 0.198 0.000 1.135 383 R CA 2.088 58.319 56.100 0.219 0.000 0.967 383 R CB -0.445 29.932 30.300 0.128 0.000 0.861 383 R HN 0.371 nan 8.270 nan 0.000 0.442 384 E N -0.439 119.860 120.200 0.164 0.000 2.208 384 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 384 E C 1.438 178.122 176.600 0.140 0.000 0.988 384 E CA 0.879 57.352 56.400 0.122 0.000 0.828 384 E CB -0.124 29.632 29.700 0.092 0.000 0.763 384 E HN 0.440 nan 8.360 nan 0.000 0.478 385 F N -0.432 119.510 119.950 -0.013 0.000 2.163 385 F HA -0.041 4.485 4.527 -0.000 0.000 0.297 385 F C 1.244 176.890 175.800 -0.256 0.000 1.094 385 F CA 1.146 59.046 58.000 -0.166 0.000 1.290 385 F CB -0.220 38.612 39.000 -0.281 0.000 1.017 385 F HN 0.015 nan 8.300 nan 0.000 0.483 386 F N -0.166 119.654 119.950 -0.216 0.000 2.615 386 F HA -0.019 4.508 4.527 -0.001 0.000 0.297 386 F C 2.577 178.228 175.800 -0.249 0.000 1.124 386 F CA 0.999 58.759 58.000 -0.399 0.000 1.451 386 F CB -0.413 38.406 39.000 -0.302 0.000 1.103 386 F HN 0.101 nan 8.300 nan 0.000 0.569 387 S N -0.946 114.774 115.700 0.034 0.000 2.514 387 S HA 0.162 4.632 4.470 -0.001 0.000 0.223 387 S C 1.678 176.278 174.600 -0.000 0.000 1.046 387 S CA -0.215 58.003 58.200 0.030 0.000 0.914 387 S CB 0.102 63.337 63.200 0.058 0.000 0.807 387 S HN 0.270 nan 8.310 nan 0.000 0.497 388 R N 1.159 121.651 120.500 -0.013 0.000 2.419 388 R HA 0.339 4.679 4.340 -0.001 0.000 0.235 388 R C 0.392 176.671 176.300 -0.035 0.000 0.899 388 R CA 0.231 56.324 56.100 -0.011 0.000 1.048 388 R CB 0.548 30.855 30.300 0.013 0.000 1.182 388 R HN 0.375 nan 8.270 nan 0.000 0.544 389 S N 1.243 116.891 115.700 -0.087 0.000 2.546 389 S HA -0.121 4.349 4.470 -0.001 0.000 0.290 389 S C 1.118 175.663 174.600 -0.092 0.000 1.290 389 S CA -0.034 58.112 58.200 -0.089 0.000 1.069 389 S CB 1.161 64.192 63.200 -0.282 0.000 0.846 389 S HN 0.339 nan 8.310 nan 0.000 0.495 390 Q N 3.316 123.094 119.800 -0.037 0.000 2.297 390 Q HA -0.116 4.224 4.340 -0.001 0.000 0.208 390 Q C 1.707 177.684 176.000 -0.039 0.000 0.981 390 Q CA 1.450 57.235 55.803 -0.030 0.000 0.876 390 Q CB -0.091 28.640 28.738 -0.012 0.000 0.921 390 Q HN 0.915 nan 8.270 nan 0.000 0.446 391 L N -0.615 120.571 121.223 -0.062 0.000 2.127 391 L HA 0.103 4.442 4.340 -0.001 0.000 0.203 391 L C 0.645 177.440 176.870 -0.124 0.000 1.080 391 L CA 0.422 55.216 54.840 -0.075 0.000 0.768 391 L CB 0.303 42.335 42.059 -0.044 0.000 0.924 391 L HN -0.060 nan 8.230 nan 0.000 0.444 392 S N -0.023 115.539 115.700 -0.229 0.000 2.489 392 S HA 0.386 4.856 4.470 -0.001 0.000 0.277 392 S C -0.717 173.861 174.600 -0.036 0.000 1.230 392 S CA -0.544 57.540 58.200 -0.195 0.000 1.053 392 S CB 0.530 63.493 63.200 -0.395 0.000 0.955 392 S HN 0.346 nan 8.310 nan 0.000 0.488 393 Q N 2.150 122.007 119.800 0.095 0.000 2.495 393 Q HA 0.454 4.794 4.340 -0.001 0.000 0.287 393 Q C -0.942 175.189 176.000 0.218 0.000 1.078 393 Q CA -0.948 54.945 55.803 0.151 0.000 0.793 393 Q CB 1.097 29.928 28.738 0.155 0.000 1.459 393 Q HN 0.593 nan 8.270 nan 0.000 0.422 394 F N 1.811 121.727 119.950 -0.056 0.000 2.604 394 F HA -0.112 4.415 4.527 -0.001 0.000 0.390 394 F C 1.051 176.746 175.800 -0.176 0.000 1.053 394 F CA 0.348 58.294 58.000 -0.089 0.000 1.256 394 F CB 0.433 39.371 39.000 -0.103 0.000 0.996 394 F HN 0.360 nan 8.300 nan 0.000 0.564 395 K N 3.570 123.945 120.400 -0.042 0.000 2.401 395 K HA -0.043 4.277 4.320 -0.001 0.000 0.278 395 K C -0.633 175.872 176.600 -0.159 0.000 1.018 395 K CA -0.359 55.865 56.287 -0.105 0.000 0.981 395 K CB 0.488 32.955 32.500 -0.056 0.000 0.933 395 K HN 0.603 nan 8.250 nan 0.000 0.477 396 D N 3.775 124.026 120.400 -0.248 0.000 2.479 396 D HA 0.046 4.686 4.640 -0.001 0.000 0.218 396 D C -0.689 175.538 176.300 -0.121 0.000 1.131 396 D CA -0.322 53.568 54.000 -0.183 0.000 0.916 396 D CB 0.578 41.244 40.800 -0.223 0.000 1.022 396 D HN 0.447 nan 8.370 nan 0.000 0.515 397 E N 2.421 122.551 120.200 -0.117 0.000 2.411 397 E HA 0.051 4.401 4.350 -0.001 0.000 0.228 397 E C 0.918 177.449 176.600 -0.115 0.000 1.169 397 E CA -0.109 56.233 56.400 -0.097 0.000 1.421 397 E CB 0.457 30.106 29.700 -0.085 0.000 1.333 397 E HN 0.498 nan 8.360 nan 0.000 0.434 398 T N 1.136 115.594 114.554 -0.160 0.000 2.737 398 T HA -0.220 4.130 4.350 -0.001 0.000 0.269 398 T C 0.704 175.358 174.700 -0.077 0.000 1.040 398 T CA 1.773 63.763 62.100 -0.185 0.000 1.142 398 T CB -0.392 68.337 68.868 -0.231 0.000 0.861 398 T HN 0.498 nan 8.240 nan 0.000 0.456 399 N N -0.964 117.701 118.700 -0.058 0.000 2.647 399 N HA 0.275 5.015 4.740 -0.001 0.000 0.259 399 N C -3.048 172.446 175.510 -0.027 0.000 1.098 399 N CA -1.450 51.583 53.050 -0.028 0.000 0.984 399 N CB 1.384 39.869 38.487 -0.002 0.000 1.683 399 N HN -0.307 nan 8.380 nan 0.000 0.501 400 P HA -0.330 nan 4.420 nan 0.000 0.224 400 P C 1.505 178.796 177.300 -0.015 0.000 1.130 400 P CA 1.504 64.588 63.100 -0.026 0.000 0.976 400 P CB 0.088 31.773 31.700 -0.025 0.000 0.781 401 L N -0.845 120.375 121.223 -0.006 0.000 2.054 401 L HA -0.275 4.065 4.340 -0.001 0.000 0.220 401 L C 2.341 179.212 176.870 0.003 0.000 1.081 401 L CA 2.306 57.146 54.840 -0.001 0.000 0.780 401 L CB -1.526 40.536 42.059 0.004 0.000 0.893 401 L HN -0.064 nan 8.230 nan 0.000 0.438 402 S N -0.829 114.871 115.700 0.000 0.000 2.378 402 S HA -0.272 4.198 4.470 -0.001 0.000 0.221 402 S C 2.154 176.770 174.600 0.027 0.000 1.037 402 S CA 2.216 60.419 58.200 0.005 0.000 1.069 402 S CB -0.676 62.509 63.200 -0.025 0.000 1.006 402 S HN 0.855 nan 8.310 nan 0.000 0.423 403 S N 1.582 117.287 115.700 0.008 0.000 2.392 403 S HA -0.180 4.289 4.470 -0.001 0.000 0.232 403 S C 1.847 176.474 174.600 0.045 0.000 1.041 403 S CA 1.552 59.771 58.200 0.031 0.000 1.026 403 S CB -0.873 62.322 63.200 -0.008 0.000 0.845 403 S HN 0.347 nan 8.310 nan 0.000 0.465 404 L N 2.203 123.434 121.223 0.014 0.000 2.012 404 L HA -0.049 4.290 4.340 -0.001 0.000 0.210 404 L C 2.818 179.697 176.870 0.015 0.000 1.073 404 L CA 2.192 57.034 54.840 0.003 0.000 0.748 404 L CB -0.869 41.184 42.059 -0.010 0.000 0.891 404 L HN 0.417 nan 8.230 nan 0.000 0.431 405 R N -1.510 119.008 120.500 0.030 0.000 2.070 405 R HA -0.248 4.092 4.340 -0.001 0.000 0.233 405 R C 2.503 178.828 176.300 0.042 0.000 1.137 405 R CA 1.778 57.898 56.100 0.035 0.000 0.945 405 R CB -0.797 29.530 30.300 0.045 0.000 0.845 405 R HN 0.586 nan 8.270 nan 0.000 0.430 406 H N 0.617 119.686 119.070 -0.003 0.000 2.541 406 H HA -0.065 4.490 4.556 -0.001 0.000 0.289 406 H C 1.212 176.542 175.328 0.004 0.000 1.054 406 H CA 1.343 57.392 56.048 0.002 0.000 1.250 406 H CB 0.315 30.078 29.762 0.002 0.000 1.369 406 H HN 0.259 nan 8.280 nan 0.000 0.578 407 K N 0.283 120.681 120.400 -0.005 0.000 2.243 407 K HA -0.019 4.301 4.320 -0.001 0.000 0.201 407 K C 1.086 177.646 176.600 -0.067 0.000 1.051 407 K CA 0.726 56.992 56.287 -0.034 0.000 0.970 407 K CB 0.327 32.821 32.500 -0.010 0.000 0.755 407 K HN 0.328 nan 8.250 nan 0.000 0.465 408 R N 1.105 121.570 120.500 -0.059 0.000 2.795 408 R HA 0.177 4.516 4.340 -0.001 0.000 0.320 408 R C -1.003 175.270 176.300 -0.045 0.000 1.223 408 R CA -0.548 55.524 56.100 -0.046 0.000 1.305 408 R CB 0.134 30.420 30.300 -0.024 0.000 1.318 408 R HN -0.045 nan 8.270 nan 0.000 0.636 409 R N 0.548 120.997 120.500 -0.086 0.000 2.445 409 R HA 0.444 4.784 4.340 -0.001 0.000 0.308 409 R C -1.104 175.164 176.300 -0.054 0.000 0.961 409 R CA -0.824 55.244 56.100 -0.054 0.000 0.862 409 R CB 1.063 31.334 30.300 -0.047 0.000 1.144 409 R HN 0.054 nan 8.270 nan 0.000 0.447 410 I N 2.544 123.105 120.570 -0.014 0.000 2.301 410 I HA 0.157 4.327 4.170 -0.001 0.000 0.292 410 I C 0.393 176.514 176.117 0.007 0.000 1.046 410 I CA 0.221 61.519 61.300 -0.004 0.000 1.282 410 I CB 1.402 39.413 38.000 0.017 0.000 1.409 410 I HN 0.655 nan 8.210 nan 0.000 0.484 411 S N 3.963 119.660 115.700 -0.006 0.000 2.654 411 S HA 0.754 5.224 4.470 -0.001 0.000 0.283 411 S C 1.052 175.659 174.600 0.011 0.000 1.180 411 S CA -0.029 58.173 58.200 0.004 0.000 1.021 411 S CB 1.361 64.557 63.200 -0.007 0.000 1.018 411 S HN 0.686 nan 8.310 nan 0.000 0.532 412 A N 3.461 126.294 122.820 0.020 0.000 1.831 412 A HA 0.277 4.597 4.320 -0.001 0.000 0.213 412 A C 0.359 177.951 177.584 0.013 0.000 1.223 412 A CA 0.582 52.636 52.037 0.027 0.000 0.604 412 A CB -1.279 17.742 19.000 0.035 0.000 0.878 412 A HN 0.716 nan 8.150 nan 0.000 0.450 413 L N -0.658 120.571 121.223 0.009 0.000 2.581 413 L HA 0.351 4.691 4.340 -0.001 0.000 0.299 413 L C 1.073 177.940 176.870 -0.005 0.000 1.261 413 L CA 1.241 56.082 54.840 0.003 0.000 0.866 413 L CB -0.720 41.340 42.059 0.002 0.000 1.113 413 L HN 0.739 nan 8.230 nan 0.000 0.514 414 G N 0.926 109.722 108.800 -0.007 0.000 2.520 414 G HA2 0.078 4.038 3.960 -0.001 0.000 0.067 414 G HA3 0.078 4.038 3.960 -0.001 0.000 0.067 414 G C -2.122 172.771 174.900 -0.012 0.000 0.977 414 G CA 0.057 45.151 45.100 -0.009 0.000 1.152 414 G HN 0.368 nan 8.290 nan 0.000 0.479 415 P HA -0.041 nan 4.420 nan 0.000 0.219 415 P C 1.602 178.886 177.300 -0.027 0.000 1.151 415 P CA 3.665 66.745 63.100 -0.033 0.000 0.850 415 P CB -0.161 31.502 31.700 -0.061 0.000 0.784 416 G N -2.967 105.820 108.800 -0.022 0.000 2.284 416 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.230 416 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.230 416 G C 1.332 176.219 174.900 -0.021 0.000 1.021 416 G CA 0.278 45.367 45.100 -0.019 0.000 0.619 416 G HN 0.561 nan 8.290 nan 0.000 0.510 417 G N 0.083 108.868 108.800 -0.025 0.000 2.448 417 G HA2 0.292 4.252 3.960 -0.001 0.000 0.218 417 G HA3 0.292 4.252 3.960 -0.001 0.000 0.218 417 G C 1.543 176.448 174.900 0.008 0.000 1.135 417 G CA 1.672 46.758 45.100 -0.023 0.000 0.784 417 G HN 0.506 nan 8.290 nan 0.000 0.543 418 L N -0.263 120.975 121.223 0.024 0.000 2.129 418 L HA 0.328 4.668 4.340 -0.001 0.000 0.200 418 L C 1.256 178.158 176.870 0.054 0.000 1.159 418 L CA 1.353 56.237 54.840 0.073 0.000 0.795 418 L CB -0.563 41.523 42.059 0.045 0.000 0.951 418 L HN 0.070 nan 8.230 nan 0.000 0.463 419 T N 1.634 116.209 114.554 0.035 0.000 3.078 419 T HA 0.344 4.693 4.350 -0.001 0.000 0.328 419 T C -0.116 174.595 174.700 0.018 0.000 0.987 419 T CA -0.936 61.184 62.100 0.033 0.000 1.049 419 T CB 0.335 69.232 68.868 0.049 0.000 1.011 419 T HN 0.216 nan 8.240 nan 0.000 0.463 420 R N 3.170 123.677 120.500 0.011 0.000 2.995 420 R HA 0.238 4.578 4.340 -0.001 0.000 0.287 420 R C 0.953 177.258 176.300 0.008 0.000 1.168 420 R CA -0.430 55.673 56.100 0.005 0.000 1.183 420 R CB 0.288 30.588 30.300 -0.000 0.000 1.157 420 R HN 0.698 nan 8.270 nan 0.000 0.577 421 E N 0.207 120.410 120.200 0.005 0.000 2.318 421 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 421 E C 1.972 178.578 176.600 0.010 0.000 0.998 421 E CA 0.323 56.726 56.400 0.005 0.000 0.859 421 E CB 0.187 29.886 29.700 -0.001 0.000 0.812 421 E HN 0.564 nan 8.360 nan 0.000 0.492 422 R N 1.104 121.611 120.500 0.012 0.000 2.179 422 R HA -0.169 4.171 4.340 -0.001 0.000 0.238 422 R C 1.131 177.449 176.300 0.029 0.000 1.119 422 R CA 1.491 57.602 56.100 0.018 0.000 0.915 422 R CB -1.139 29.171 30.300 0.016 0.000 0.870 422 R HN 0.031 nan 8.270 nan 0.000 0.432 423 A N -0.099 122.742 122.820 0.035 0.000 2.313 423 A HA 0.520 4.840 4.320 -0.001 0.000 0.261 423 A C 0.900 178.516 177.584 0.055 0.000 1.090 423 A CA 0.082 52.151 52.037 0.053 0.000 0.807 423 A CB 1.068 20.101 19.000 0.055 0.000 1.055 423 A HN 0.631 nan 8.150 nan 0.000 0.492 424 G N -1.500 107.349 108.800 0.083 0.000 4.227 424 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.200 424 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.200 424 G C 1.011 175.986 174.900 0.124 0.000 0.920 424 G CA 0.492 45.633 45.100 0.068 0.000 0.953 424 G HN 0.555 nan 8.290 nan 0.000 0.323 425 F N 2.517 122.484 119.950 0.030 0.000 2.184 425 F HA -0.161 4.365 4.527 -0.001 0.000 0.301 425 F C 2.642 178.461 175.800 0.033 0.000 1.076 425 F CA 2.120 60.137 58.000 0.028 0.000 1.295 425 F CB 0.404 39.420 39.000 0.026 0.000 1.026 425 F HN 0.348 nan 8.300 nan 0.000 0.494 426 D N -0.262 120.299 120.400 0.268 0.000 2.213 426 D HA -0.109 4.531 4.640 -0.001 0.000 0.205 426 D C 1.829 178.222 176.300 0.155 0.000 0.961 426 D CA 1.543 55.650 54.000 0.178 0.000 0.853 426 D CB -0.538 40.333 40.800 0.119 0.000 0.967 426 D HN 0.259 nan 8.370 nan 0.000 0.496 427 V N 0.866 120.862 119.914 0.138 0.000 2.407 427 V HA -0.041 4.079 4.120 -0.001 0.000 0.245 427 V C 2.781 178.938 176.094 0.105 0.000 1.041 427 V CA 0.933 63.303 62.300 0.118 0.000 1.040 427 V CB -0.786 31.095 31.823 0.098 0.000 0.671 427 V HN 0.052 nan 8.190 nan 0.000 0.455 428 R N 0.678 121.229 120.500 0.086 0.000 2.127 428 R HA -0.074 4.266 4.340 -0.001 0.000 0.238 428 R C 0.541 176.862 176.300 0.034 0.000 1.134 428 R CA 1.089 57.207 56.100 0.031 0.000 0.975 428 R CB -0.374 29.890 30.300 -0.060 0.000 0.865 428 R HN 0.592 nan 8.270 nan 0.000 0.447 429 D N 0.281 120.739 120.400 0.097 0.000 2.358 429 D HA 0.035 4.675 4.640 -0.001 0.000 0.244 429 D C -0.297 175.955 176.300 -0.081 0.000 1.163 429 D CA -0.160 53.880 54.000 0.067 0.000 0.945 429 D CB 1.314 42.201 40.800 0.146 0.000 1.152 429 D HN -0.202 nan 8.370 nan 0.000 0.451 430 V N 1.169 121.007 119.914 -0.127 0.000 2.488 430 V HA 0.095 4.215 4.120 -0.001 0.000 0.277 430 V C -0.456 175.547 176.094 -0.152 0.000 1.046 430 V CA -0.052 62.055 62.300 -0.322 0.000 0.986 430 V CB 0.555 32.281 31.823 -0.162 0.000 0.989 430 V HN 0.532 nan 8.190 nan 0.000 0.475 431 H N 5.246 124.160 119.070 -0.260 0.000 2.496 431 H HA 0.495 5.051 4.556 -0.001 0.000 0.342 431 H C 1.272 176.675 175.328 0.126 0.000 1.170 431 H CA -0.354 55.748 56.048 0.090 0.000 1.274 431 H CB 1.259 31.194 29.762 0.288 0.000 1.538 431 H HN 0.693 nan 8.280 nan 0.000 0.542 432 R N 0.956 121.121 120.500 -0.558 0.000 2.139 432 R HA -0.123 4.217 4.340 -0.001 0.000 0.243 432 R C 1.279 177.523 176.300 -0.093 0.000 1.145 432 R CA 1.932 57.836 56.100 -0.327 0.000 0.976 432 R CB -0.488 29.553 30.300 -0.432 0.000 0.866 432 R HN 0.567 nan 8.270 nan 0.000 0.449 433 T N 0.124 114.711 114.554 0.054 0.000 3.023 433 T HA -0.032 4.317 4.350 -0.001 0.000 0.266 433 T C 1.310 176.130 174.700 0.200 0.000 1.093 433 T CA 0.587 62.766 62.100 0.130 0.000 1.129 433 T CB -0.184 68.716 68.868 0.052 0.000 0.899 433 T HN 0.391 nan 8.240 nan 0.000 0.491 434 H N -0.268 118.902 119.070 0.167 0.000 2.557 434 H HA -0.025 4.531 4.556 -0.000 0.000 0.287 434 H C 0.325 175.727 175.328 0.123 0.000 1.043 434 H CA 0.360 56.488 56.048 0.133 0.000 1.226 434 H CB -0.202 29.628 29.762 0.114 0.000 1.361 434 H HN 0.386 nan 8.280 nan 0.000 0.592 435 Y N 1.319 121.675 120.300 0.093 0.000 2.721 435 Y HA 0.042 4.592 4.550 -0.001 0.000 0.329 435 Y C 1.566 177.480 175.900 0.023 0.000 1.211 435 Y CA 0.944 59.059 58.100 0.023 0.000 1.512 435 Y CB 0.233 38.712 38.460 0.031 0.000 1.249 435 Y HN 0.380 nan 8.280 nan 0.000 0.549 436 G N 4.726 113.338 108.800 -0.314 0.000 2.238 436 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.270 436 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.270 436 G C 1.329 176.213 174.900 -0.027 0.000 0.977 436 G CA 1.163 46.131 45.100 -0.219 0.000 0.639 436 G HN 0.700 nan 8.290 nan 0.000 0.544 437 R N -1.042 119.476 120.500 0.030 0.000 2.167 437 R HA 0.523 4.862 4.340 -0.001 0.000 0.201 437 R C 0.283 176.612 176.300 0.048 0.000 1.024 437 R CA 0.827 56.963 56.100 0.060 0.000 1.053 437 R CB 0.509 30.851 30.300 0.070 0.000 0.987 437 R HN 0.428 nan 8.270 nan 0.000 0.493 438 I N -0.803 119.806 120.570 0.065 0.000 2.692 438 I HA 0.134 4.304 4.170 -0.001 0.000 0.293 438 I C -0.708 175.471 176.117 0.104 0.000 1.200 438 I CA -0.816 60.551 61.300 0.111 0.000 1.036 438 I CB 1.898 40.030 38.000 0.219 0.000 1.258 438 I HN 0.001 nan 8.210 nan 0.000 0.421 439 C N 7.698 127.056 119.300 0.097 0.000 2.679 439 C HA 0.292 4.752 4.460 -0.001 0.000 0.417 439 C C -0.871 174.182 174.990 0.106 0.000 1.302 439 C CA -0.592 58.484 59.018 0.098 0.000 1.973 439 C CB 0.378 28.217 27.740 0.166 0.000 2.715 439 C HN 0.749 nan 8.230 nan 0.000 0.628 440 P HA 0.065 nan 4.420 nan 0.000 0.257 440 P C 0.920 178.286 177.300 0.110 0.000 1.241 440 P CA 0.727 63.872 63.100 0.075 0.000 0.816 440 P CB 0.267 31.995 31.700 0.046 0.000 1.150 441 V N 0.181 120.194 119.914 0.165 0.000 2.788 441 V HA 0.009 4.129 4.120 -0.001 0.000 0.241 441 V C 2.499 178.658 176.094 0.109 0.000 1.083 441 V CA 1.080 63.474 62.300 0.155 0.000 1.103 441 V CB -0.691 31.263 31.823 0.218 0.000 0.800 441 V HN 0.043 nan 8.190 nan 0.000 0.476 442 E N 0.589 120.856 120.200 0.111 0.000 2.331 442 E HA -0.128 4.222 4.350 -0.001 0.000 0.199 442 E C 1.183 177.821 176.600 0.064 0.000 1.008 442 E CA 0.569 57.019 56.400 0.082 0.000 0.843 442 E CB -0.305 29.446 29.700 0.085 0.000 0.761 442 E HN 0.482 nan 8.360 nan 0.000 0.507 443 T N 1.287 115.877 114.554 0.060 0.000 2.903 443 T HA 0.119 4.468 4.350 -0.001 0.000 0.314 443 T C -2.520 172.200 174.700 0.034 0.000 1.078 443 T CA -1.500 60.626 62.100 0.043 0.000 1.114 443 T CB 0.624 69.512 68.868 0.033 0.000 0.987 443 T HN -0.050 nan 8.240 nan 0.000 0.548 444 P HA 0.210 nan 4.420 nan 0.000 0.281 444 P C -0.483 176.823 177.300 0.010 0.000 1.252 444 P CA -0.314 62.798 63.100 0.020 0.000 0.778 444 P CB 0.391 32.103 31.700 0.020 0.000 0.895 445 E N 2.581 122.788 120.200 0.012 0.000 2.452 445 E HA 0.321 4.671 4.350 -0.001 0.000 0.261 445 E C 0.346 176.945 176.600 -0.002 0.000 0.987 445 E CA 0.610 57.013 56.400 0.006 0.000 0.926 445 E CB -0.044 29.662 29.700 0.011 0.000 0.934 445 E HN 0.700 nan 8.360 nan 0.000 0.452 446 G N 1.948 110.741 108.800 -0.011 0.000 2.459 446 G HA2 0.032 3.992 3.960 -0.001 0.000 0.685 446 G HA3 0.032 3.992 3.960 -0.001 0.000 0.685 446 G C 0.479 175.362 174.900 -0.028 0.000 1.303 446 G CA -0.201 44.890 45.100 -0.015 0.000 0.907 446 G HN 0.732 nan 8.290 nan 0.000 0.632 447 A N 0.443 123.246 122.820 -0.028 0.000 1.900 447 A HA -0.250 4.070 4.320 -0.001 0.000 0.225 447 A C 1.540 179.098 177.584 -0.042 0.000 1.414 447 A CA 2.249 54.264 52.037 -0.036 0.000 0.702 447 A CB -0.631 18.355 19.000 -0.024 0.000 0.845 447 A HN 1.075 nan 8.150 nan 0.000 0.478 448 N N 0.431 119.115 118.700 -0.027 0.000 2.671 448 N HA 0.296 5.035 4.740 -0.001 0.000 0.274 448 N C -0.905 174.591 175.510 -0.023 0.000 1.188 448 N CA 0.210 53.246 53.050 -0.022 0.000 1.065 448 N CB -0.110 38.372 38.487 -0.009 0.000 1.415 448 N HN 0.578 nan 8.380 nan 0.000 0.511 449 I N -0.779 119.765 120.570 -0.044 0.000 2.603 449 I HA 0.361 4.531 4.170 -0.001 0.000 0.300 449 I C 1.267 177.359 176.117 -0.042 0.000 1.017 449 I CA -0.019 61.256 61.300 -0.042 0.000 1.098 449 I CB 1.462 39.422 38.000 -0.068 0.000 1.279 449 I HN 0.516 nan 8.210 nan 0.000 0.437 450 G N 5.035 113.825 108.800 -0.017 0.000 2.284 450 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.268 450 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.268 450 G C 0.549 175.463 174.900 0.023 0.000 0.980 450 G CA 1.214 46.312 45.100 -0.002 0.000 0.631 450 G HN 0.576 nan 8.290 nan 0.000 0.548 451 L N 0.134 121.366 121.223 0.015 0.000 2.202 451 L HA 0.401 4.741 4.340 -0.001 0.000 0.205 451 L C 1.457 178.349 176.870 0.036 0.000 1.083 451 L CA 0.767 55.625 54.840 0.029 0.000 0.790 451 L CB -0.112 41.955 42.059 0.014 0.000 0.942 451 L HN 0.372 nan 8.230 nan 0.000 0.452 452 I N -0.788 119.799 120.570 0.029 0.000 2.330 452 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 452 I C -0.178 175.962 176.117 0.038 0.000 1.001 452 I CA -0.177 61.141 61.300 0.029 0.000 1.193 452 I CB 1.295 39.308 38.000 0.023 0.000 1.345 452 I HN -0.118 nan 8.210 nan 0.000 0.461 453 T N 3.307 117.886 114.554 0.043 0.000 3.012 453 T HA 0.359 4.708 4.350 -0.001 0.000 0.330 453 T C -0.483 174.245 174.700 0.046 0.000 1.321 453 T CA -0.470 61.662 62.100 0.054 0.000 1.067 453 T CB 1.501 70.418 68.868 0.081 0.000 1.235 453 T HN 0.628 nan 8.240 nan 0.000 0.479 454 S N 3.458 119.185 115.700 0.044 0.000 2.592 454 S HA 0.584 5.053 4.470 -0.001 0.000 0.271 454 S C 0.517 175.148 174.600 0.052 0.000 1.326 454 S CA -0.868 57.353 58.200 0.035 0.000 1.024 454 S CB 0.374 63.594 63.200 0.034 0.000 0.921 454 S HN 0.842 nan 8.310 nan 0.000 0.527 455 L N 0.312 121.560 121.223 0.042 0.000 2.488 455 L HA 0.891 5.231 4.340 -0.001 0.000 0.249 455 L C 0.362 177.268 176.870 0.060 0.000 1.151 455 L CA -0.875 53.996 54.840 0.051 0.000 0.806 455 L CB -0.270 41.813 42.059 0.040 0.000 1.261 455 L HN 0.676 nan 8.230 nan 0.000 0.484 456 A N -0.282 122.576 122.820 0.064 0.000 2.240 456 A HA 0.707 5.027 4.320 -0.001 0.000 0.292 456 A C 1.420 179.051 177.584 0.078 0.000 1.121 456 A CA -0.035 52.047 52.037 0.074 0.000 0.851 456 A CB -0.014 19.013 19.000 0.045 0.000 1.167 456 A HN 1.220 nan 8.150 nan 0.000 0.503 457 A N -0.766 122.119 122.820 0.109 0.000 1.842 457 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 457 A C 1.699 179.298 177.584 0.026 0.000 1.206 457 A CA 2.319 54.407 52.037 0.084 0.000 0.630 457 A CB -1.044 18.089 19.000 0.221 0.000 0.839 457 A HN 0.868 nan 8.150 nan 0.000 0.447 458 Y N -0.729 119.583 120.300 0.020 0.000 2.478 458 Y HA 0.505 5.054 4.550 -0.001 0.000 0.261 458 Y C 1.574 177.540 175.900 0.110 0.000 1.127 458 Y CA -0.456 57.678 58.100 0.056 0.000 1.288 458 Y CB -0.394 38.065 38.460 -0.003 0.000 1.084 458 Y HN 0.321 nan 8.280 nan 0.000 0.530 459 A N 2.750 125.696 122.820 0.209 0.000 2.563 459 A HA 0.210 4.530 4.320 -0.001 0.000 0.256 459 A C 0.460 178.137 177.584 0.155 0.000 1.056 459 A CA 0.181 52.318 52.037 0.166 0.000 0.775 459 A CB -0.528 18.533 19.000 0.102 0.000 0.973 459 A HN 0.506 nan 8.150 nan 0.000 0.516 460 R N 1.419 122.031 120.500 0.188 0.000 2.698 460 R HA 0.559 4.899 4.340 -0.001 0.000 0.275 460 R C -1.500 174.842 176.300 0.069 0.000 1.001 460 R CA -1.022 55.128 56.100 0.084 0.000 0.896 460 R CB 1.125 31.421 30.300 -0.007 0.000 1.218 460 R HN 0.178 nan 8.270 nan 0.000 0.462 461 V N 4.246 124.172 119.914 0.020 0.000 2.416 461 V HA -0.078 4.042 4.120 -0.001 0.000 0.267 461 V C 0.704 176.789 176.094 -0.016 0.000 1.007 461 V CA 0.304 62.606 62.300 0.003 0.000 1.102 461 V CB -0.619 31.187 31.823 -0.028 0.000 1.035 461 V HN 0.877 nan 8.190 nan 0.000 0.473 462 D N 3.572 123.990 120.400 0.031 0.000 2.335 462 D HA -0.083 4.557 4.640 -0.001 0.000 0.236 462 D C 1.047 177.323 176.300 -0.040 0.000 1.297 462 D CA -0.219 53.792 54.000 0.018 0.000 0.906 462 D CB 0.954 41.821 40.800 0.111 0.000 1.164 462 D HN 0.498 nan 8.370 nan 0.000 0.469 463 E N -1.360 118.816 120.200 -0.040 0.000 2.108 463 E HA -0.188 4.161 4.350 -0.001 0.000 0.203 463 E C 0.415 176.945 176.600 -0.116 0.000 1.022 463 E CA 1.159 57.522 56.400 -0.062 0.000 0.823 463 E CB -0.151 29.526 29.700 -0.040 0.000 0.744 463 E HN 0.284 nan 8.360 nan 0.000 0.456 464 L N 0.122 121.236 121.223 -0.182 0.000 2.280 464 L HA 0.365 4.704 4.340 -0.001 0.000 0.287 464 L C 0.498 176.952 176.870 -0.693 0.000 1.023 464 L CA -0.213 54.412 54.840 -0.358 0.000 0.819 464 L CB 1.030 42.871 42.059 -0.364 0.000 1.212 464 L HN 0.110 nan 8.230 nan 0.000 0.420 465 G N 5.180 113.691 108.800 -0.481 0.000 1.967 465 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.249 465 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.249 465 G C -0.075 174.557 174.900 -0.447 0.000 0.676 465 G CA 0.527 45.397 45.100 -0.383 0.000 0.856 465 G HN 0.503 nan 8.290 nan 0.000 0.422 466 F N -0.079 119.896 119.950 0.042 0.000 2.325 466 F HA 0.379 4.905 4.527 -0.001 0.000 0.369 466 F C 0.924 176.764 175.800 0.066 0.000 1.095 466 F CA -1.311 56.722 58.000 0.055 0.000 1.082 466 F CB 1.083 40.119 39.000 0.061 0.000 1.289 466 F HN -0.032 nan 8.300 nan 0.000 0.462 467 I N 5.261 125.955 120.570 0.207 0.000 2.769 467 I HA -0.027 4.143 4.170 -0.001 0.000 0.285 467 I C 0.720 176.957 176.117 0.199 0.000 1.173 467 I CA 0.455 61.849 61.300 0.157 0.000 1.389 467 I CB -0.108 37.950 38.000 0.097 0.000 1.404 467 I HN 0.705 nan 8.210 nan 0.000 0.544 468 R N 4.506 125.141 120.500 0.225 0.000 2.981 468 R HA 0.874 5.214 4.340 -0.001 0.000 0.228 468 R C -0.325 176.140 176.300 0.276 0.000 1.421 468 R CA -0.743 55.515 56.100 0.264 0.000 1.073 468 R CB 1.740 32.215 30.300 0.292 0.000 1.568 468 R HN 0.446 nan 8.270 nan 0.000 0.514 469 T N -0.383 114.336 114.554 0.276 0.000 2.775 469 T HA 0.395 4.744 4.350 -0.001 0.000 0.320 469 T C -3.018 171.551 174.700 -0.218 0.000 1.597 469 T CA -1.442 60.724 62.100 0.110 0.000 1.022 469 T CB 1.901 70.770 68.868 0.002 0.000 1.485 469 T HN 0.622 nan 8.240 nan 0.000 0.494 470 P HA 0.433 nan 4.420 nan 0.000 0.278 470 P C -1.612 175.307 177.300 -0.636 0.000 1.238 470 P CA -0.149 62.474 63.100 -0.795 0.000 0.794 470 P CB 0.307 31.507 31.700 -0.832 0.000 0.955 471 Y N 0.130 120.213 120.300 -0.362 0.000 2.442 471 Y HA 0.306 4.856 4.550 -0.001 0.000 0.330 471 Y C 0.919 176.691 175.900 -0.213 0.000 1.100 471 Y CA -0.909 57.035 58.100 -0.260 0.000 1.034 471 Y CB 2.019 40.298 38.460 -0.301 0.000 1.285 471 Y HN 0.185 nan 8.280 nan 0.000 0.440 472 R N 1.269 121.820 120.500 0.085 0.000 2.726 472 R HA 0.433 4.773 4.340 -0.001 0.000 0.272 472 R C -0.317 176.164 176.300 0.302 0.000 1.097 472 R CA -0.856 55.311 56.100 0.111 0.000 1.198 472 R CB 0.724 31.076 30.300 0.086 0.000 1.114 472 R HN 0.586 nan 8.270 nan 0.000 0.550 473 R N 1.217 121.876 120.500 0.265 0.000 2.239 473 R HA 0.171 4.511 4.340 -0.001 0.000 0.332 473 R C -0.997 175.358 176.300 0.092 0.000 0.988 473 R CA -0.315 55.980 56.100 0.324 0.000 0.859 473 R CB 1.128 31.587 30.300 0.264 0.000 1.148 473 R HN 0.393 nan 8.270 nan 0.000 0.482 474 V N 6.353 126.272 119.914 0.008 0.000 2.348 474 V HA 0.305 4.425 4.120 -0.001 0.000 0.270 474 V C -0.668 175.350 176.094 -0.126 0.000 1.037 474 V CA -0.399 61.875 62.300 -0.043 0.000 0.872 474 V CB 1.502 33.314 31.823 -0.018 0.000 1.002 474 V HN 0.491 nan 8.190 nan 0.000 0.464 475 V N 9.182 129.046 119.914 -0.083 0.000 2.334 475 V HA 0.708 4.828 4.120 -0.001 0.000 0.267 475 V C 1.134 177.189 176.094 -0.064 0.000 1.040 475 V CA 1.030 63.276 62.300 -0.089 0.000 0.866 475 V CB 0.102 31.890 31.823 -0.058 0.000 1.019 475 V HN 1.502 nan 8.190 nan 0.000 0.468 476 G N 5.451 114.207 108.800 -0.074 0.000 2.547 476 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.271 476 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.271 476 G C 0.791 175.667 174.900 -0.041 0.000 1.209 476 G CA -0.057 45.013 45.100 -0.051 0.000 0.959 476 G HN 1.424 nan 8.290 nan 0.000 0.563 477 G N -0.701 108.083 108.800 -0.026 0.000 3.474 477 G HA2 0.511 4.471 3.960 -0.001 0.000 0.269 477 G HA3 0.511 4.471 3.960 -0.001 0.000 0.269 477 G C -0.141 174.752 174.900 -0.012 0.000 1.339 477 G CA 0.873 45.963 45.100 -0.017 0.000 1.258 477 G HN 1.222 nan 8.290 nan 0.000 0.560 478 V N 1.099 121.003 119.914 -0.016 0.000 2.483 478 V HA 0.342 4.462 4.120 -0.001 0.000 0.297 478 V C 0.077 176.169 176.094 -0.004 0.000 1.027 478 V CA -0.897 61.398 62.300 -0.007 0.000 0.855 478 V CB 1.854 33.672 31.823 -0.009 0.000 0.995 478 V HN 0.208 nan 8.190 nan 0.000 0.424 479 V N 2.493 122.412 119.914 0.010 0.000 2.567 479 V HA 0.814 4.934 4.120 -0.001 0.000 0.289 479 V C 0.170 176.281 176.094 0.028 0.000 1.049 479 V CA -0.085 62.229 62.300 0.023 0.000 0.969 479 V CB 1.224 33.065 31.823 0.031 0.000 0.995 479 V HN 0.813 nan 8.190 nan 0.000 0.471 480 T N 2.579 117.158 114.554 0.041 0.000 2.907 480 T HA 0.413 4.763 4.350 -0.001 0.000 0.290 480 T C 0.475 175.203 174.700 0.047 0.000 1.066 480 T CA 0.339 62.464 62.100 0.041 0.000 1.012 480 T CB 1.794 70.688 68.868 0.043 0.000 1.184 480 T HN 0.970 nan 8.240 nan 0.000 0.522 481 D N -0.574 119.851 120.400 0.040 0.000 2.327 481 D HA -0.019 4.621 4.640 -0.001 0.000 0.205 481 D C 0.634 176.957 176.300 0.039 0.000 0.989 481 D CA 0.008 54.029 54.000 0.036 0.000 0.873 481 D CB 0.032 40.852 40.800 0.034 0.000 0.955 481 D HN 0.541 nan 8.370 nan 0.000 0.515 482 E N 1.258 121.487 120.200 0.049 0.000 2.406 482 E HA 0.055 4.405 4.350 -0.001 0.000 0.247 482 E C -0.792 175.834 176.600 0.043 0.000 1.160 482 E CA -0.159 56.272 56.400 0.052 0.000 0.950 482 E CB 0.422 30.160 29.700 0.062 0.000 0.993 482 E HN 0.040 nan 8.360 nan 0.000 0.472 483 V N 5.296 125.220 119.914 0.016 0.000 2.465 483 V HA 0.148 4.268 4.120 -0.001 0.000 0.279 483 V C 0.129 176.191 176.094 -0.053 0.000 1.045 483 V CA -0.685 61.587 62.300 -0.047 0.000 0.938 483 V CB 1.684 33.447 31.823 -0.099 0.000 0.986 483 V HN 0.387 nan 8.190 nan 0.000 0.467 484 V N 5.312 125.147 119.914 -0.132 0.000 2.350 484 V HA 0.296 4.416 4.120 -0.001 0.000 0.276 484 V C -0.558 175.465 176.094 -0.118 0.000 1.028 484 V CA -0.724 61.510 62.300 -0.109 0.000 0.860 484 V CB 0.863 32.539 31.823 -0.246 0.000 0.990 484 V HN 0.730 nan 8.190 nan 0.000 0.453 485 Y N 5.814 126.126 120.300 0.021 0.000 2.620 485 Y HA 0.321 4.871 4.550 -0.001 0.000 0.352 485 Y C 0.798 176.743 175.900 0.075 0.000 1.140 485 Y CA 0.024 58.160 58.100 0.060 0.000 1.529 485 Y CB 0.190 38.688 38.460 0.065 0.000 1.321 485 Y HN 0.552 nan 8.280 nan 0.000 0.501 486 M N 2.692 122.390 119.600 0.163 0.000 2.209 486 M HA 0.307 4.787 4.480 -0.001 0.000 0.355 486 M C 0.350 176.776 176.300 0.209 0.000 1.171 486 M CA -0.581 54.805 55.300 0.143 0.000 1.069 486 M CB 0.753 33.366 32.600 0.023 0.000 1.622 486 M HN 0.385 nan 8.290 nan 0.000 0.459 487 T N 1.713 116.391 114.554 0.206 0.000 2.791 487 T HA 0.077 4.427 4.350 -0.001 0.000 0.323 487 T C 1.464 176.270 174.700 0.177 0.000 1.082 487 T CA 0.239 62.464 62.100 0.209 0.000 1.084 487 T CB 0.793 69.770 68.868 0.182 0.000 0.992 487 T HN 0.810 nan 8.240 nan 0.000 0.547 488 A N 1.492 124.413 122.820 0.168 0.000 1.908 488 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 488 A C 2.527 180.210 177.584 0.164 0.000 1.181 488 A CA 2.226 54.360 52.037 0.162 0.000 0.627 488 A CB -1.503 17.589 19.000 0.154 0.000 0.818 488 A HN 0.975 nan 8.150 nan 0.000 0.445 489 T N -2.329 112.279 114.554 0.091 0.000 2.701 489 T HA -0.128 4.222 4.350 -0.001 0.000 0.263 489 T C 1.721 176.432 174.700 0.018 0.000 1.040 489 T CA 1.392 63.514 62.100 0.036 0.000 1.147 489 T CB -0.509 68.320 68.868 -0.065 0.000 0.865 489 T HN 0.539 nan 8.240 nan 0.000 0.426 490 E N 1.058 121.287 120.200 0.047 0.000 2.160 490 E HA -0.208 4.142 4.350 -0.001 0.000 0.195 490 E C 2.247 178.853 176.600 0.010 0.000 0.991 490 E CA 1.202 57.629 56.400 0.046 0.000 0.810 490 E CB -0.167 29.662 29.700 0.214 0.000 0.742 490 E HN 0.781 nan 8.360 nan 0.000 0.466 491 E N 0.749 120.997 120.200 0.081 0.000 2.160 491 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 491 E C 0.990 177.572 176.600 -0.031 0.000 0.991 491 E CA 1.718 58.145 56.400 0.046 0.000 0.810 491 E CB 0.066 29.777 29.700 0.019 0.000 0.742 491 E HN 0.249 nan 8.360 nan 0.000 0.466 492 D N -0.223 120.146 120.400 -0.051 0.000 2.183 492 D HA -0.089 4.551 4.640 -0.001 0.000 0.203 492 D C 1.767 177.951 176.300 -0.193 0.000 0.969 492 D CA 0.783 54.745 54.000 -0.065 0.000 0.842 492 D CB 0.001 40.810 40.800 0.015 0.000 0.957 492 D HN 0.179 nan 8.370 nan 0.000 0.484 493 R N -0.514 119.733 120.500 -0.421 0.000 2.189 493 R HA -0.028 4.311 4.340 -0.001 0.000 0.223 493 R C 0.079 176.005 176.300 -0.623 0.000 1.092 493 R CA 0.670 56.402 56.100 -0.613 0.000 0.989 493 R CB -0.144 29.601 30.300 -0.925 0.000 0.876 493 R HN 0.326 nan 8.270 nan 0.000 0.457 494 Y N -0.877 119.441 120.300 0.030 0.000 2.567 494 Y HA 0.291 4.841 4.550 -0.001 0.000 0.333 494 Y C 0.393 176.294 175.900 0.001 0.000 1.106 494 Y CA -1.268 56.858 58.100 0.044 0.000 1.157 494 Y CB 1.279 39.866 38.460 0.210 0.000 1.277 494 Y HN -0.327 nan 8.280 nan 0.000 0.490 495 T N 3.745 118.395 114.554 0.160 0.000 2.794 495 T HA 0.429 4.779 4.350 -0.001 0.000 0.304 495 T C -0.399 174.347 174.700 0.077 0.000 0.973 495 T CA -0.327 61.812 62.100 0.064 0.000 0.972 495 T CB -0.880 68.001 68.868 0.022 0.000 0.952 495 T HN 0.235 nan 8.240 nan 0.000 0.509 496 I N 2.705 123.308 120.570 0.055 0.000 2.488 496 I HA 0.689 4.858 4.170 -0.001 0.000 0.299 496 I C 0.488 176.645 176.117 0.067 0.000 0.984 496 I CA -0.679 60.664 61.300 0.072 0.000 1.250 496 I CB 1.157 39.148 38.000 -0.014 0.000 1.389 496 I HN 0.558 nan 8.210 nan 0.000 0.488 497 A N 3.894 126.780 122.820 0.110 0.000 2.354 497 A HA 0.749 5.068 4.320 -0.001 0.000 0.321 497 A C -0.658 176.997 177.584 0.118 0.000 1.125 497 A CA -0.722 51.365 52.037 0.084 0.000 0.799 497 A CB 1.156 20.194 19.000 0.064 0.000 1.293 497 A HN 0.584 nan 8.150 nan 0.000 0.452 498 Q N 0.032 119.883 119.800 0.084 0.000 2.306 498 Q HA 0.425 4.764 4.340 -0.001 0.000 0.241 498 Q C 1.210 177.251 176.000 0.069 0.000 0.948 498 Q CA 0.365 56.222 55.803 0.089 0.000 0.886 498 Q CB 1.501 30.274 28.738 0.058 0.000 1.227 498 Q HN 0.849 nan 8.270 nan 0.000 0.457 499 A N 2.836 125.693 122.820 0.062 0.000 2.015 499 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 499 A C 1.284 178.898 177.584 0.050 0.000 1.163 499 A CA 1.461 53.528 52.037 0.049 0.000 0.646 499 A CB -0.369 18.652 19.000 0.036 0.000 0.806 499 A HN 0.802 nan 8.150 nan 0.000 0.448 500 N N 0.760 119.490 118.700 0.050 0.000 2.588 500 N HA -0.066 4.674 4.740 -0.001 0.000 0.190 500 N C 0.653 176.187 175.510 0.040 0.000 1.094 500 N CA 1.155 54.234 53.050 0.049 0.000 0.921 500 N CB -0.816 37.692 38.487 0.034 0.000 0.959 500 N HN 0.603 nan 8.380 nan 0.000 0.448 501 T N -0.486 114.090 114.554 0.037 0.000 2.784 501 T HA 0.170 4.519 4.350 -0.001 0.000 0.291 501 T C -2.460 172.259 174.700 0.032 0.000 0.942 501 T CA -1.745 60.373 62.100 0.031 0.000 1.161 501 T CB 0.410 69.296 68.868 0.030 0.000 0.885 501 T HN -0.089 nan 8.240 nan 0.000 0.534 502 P HA 0.142 nan 4.420 nan 0.000 0.259 502 P C -0.665 176.651 177.300 0.027 0.000 1.163 502 P CA 0.061 63.179 63.100 0.029 0.000 0.760 502 P CB 0.213 31.928 31.700 0.025 0.000 0.762 503 L N 2.797 124.038 121.223 0.030 0.000 2.431 503 L HA 0.276 4.615 4.340 -0.001 0.000 0.266 503 L C 0.809 177.695 176.870 0.027 0.000 0.978 503 L CA -0.304 54.552 54.840 0.027 0.000 0.822 503 L CB 2.033 44.111 42.059 0.030 0.000 1.310 503 L HN 0.281 nan 8.230 nan 0.000 0.409 504 E N 2.302 122.516 120.200 0.023 0.000 2.307 504 E HA 0.234 4.584 4.350 -0.001 0.000 0.195 504 E C 0.658 177.271 176.600 0.022 0.000 0.975 504 E CA 0.745 57.158 56.400 0.022 0.000 0.878 504 E CB 1.148 30.859 29.700 0.018 0.000 0.845 504 E HN 0.960 nan 8.360 nan 0.000 0.488 505 G N 0.595 109.408 108.800 0.022 0.000 4.328 505 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.133 505 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.133 505 G C 0.613 175.526 174.900 0.021 0.000 1.397 505 G CA -0.254 44.859 45.100 0.022 0.000 1.001 505 G HN -0.008 nan 8.290 nan 0.000 0.325 506 N N 0.208 118.919 118.700 0.018 0.000 2.171 506 N HA 0.328 5.068 4.740 -0.001 0.000 0.212 506 N C 0.468 175.986 175.510 0.014 0.000 1.184 506 N CA -0.112 52.948 53.050 0.017 0.000 0.888 506 N CB 0.873 39.368 38.487 0.014 0.000 1.038 506 N HN 0.186 nan 8.380 nan 0.000 0.517 507 R N 0.666 121.174 120.500 0.014 0.000 2.540 507 R HA 0.411 4.750 4.340 -0.001 0.000 0.287 507 R C -0.424 175.883 176.300 0.013 0.000 0.980 507 R CA -0.736 55.370 56.100 0.011 0.000 0.966 507 R CB 1.466 31.772 30.300 0.010 0.000 1.106 507 R HN -0.023 nan 8.270 nan 0.000 0.480 508 I N 1.506 122.082 120.570 0.010 0.000 2.365 508 I HA 0.214 4.383 4.170 -0.001 0.000 0.291 508 I C 0.904 177.027 176.117 0.010 0.000 1.004 508 I CA -0.117 61.190 61.300 0.011 0.000 1.311 508 I CB 0.932 38.936 38.000 0.007 0.000 1.401 508 I HN 0.792 nan 8.210 nan 0.000 0.491 509 A N 4.406 127.233 122.820 0.013 0.000 2.288 509 A HA 0.673 4.993 4.320 -0.001 0.000 0.216 509 A C 0.924 178.513 177.584 0.009 0.000 1.199 509 A CA 0.307 52.351 52.037 0.012 0.000 0.891 509 A CB 0.251 19.260 19.000 0.015 0.000 0.923 509 A HN 0.789 nan 8.150 nan 0.000 0.500 510 A N -0.296 122.529 122.820 0.009 0.000 2.356 510 A HA 0.604 4.923 4.320 -0.001 0.000 0.310 510 A C 0.466 178.052 177.584 0.003 0.000 1.075 510 A CA -0.340 51.701 52.037 0.006 0.000 0.746 510 A CB 0.781 19.786 19.000 0.008 0.000 1.221 510 A HN 0.245 nan 8.150 nan 0.000 0.443 511 E N 1.319 121.520 120.200 0.002 0.000 2.026 511 E HA -0.183 4.167 4.350 -0.001 0.000 0.206 511 E C 0.169 176.768 176.600 -0.002 0.000 1.028 511 E CA 1.222 57.622 56.400 -0.001 0.000 0.845 511 E CB -0.042 29.657 29.700 -0.002 0.000 0.772 511 E HN 0.598 nan 8.360 nan 0.000 0.462 512 R N 0.944 121.443 120.500 -0.002 0.000 2.220 512 R HA 0.287 4.626 4.340 -0.001 0.000 0.340 512 R C -1.072 175.228 176.300 -0.001 0.000 1.076 512 R CA -0.191 55.907 56.100 -0.003 0.000 0.920 512 R CB 1.087 31.385 30.300 -0.004 0.000 1.062 512 R HN -0.036 nan 8.270 nan 0.000 0.469 513 V N 3.992 123.906 119.914 -0.001 0.000 2.760 513 V HA 0.192 4.312 4.120 -0.001 0.000 0.309 513 V C 0.009 176.103 176.094 0.000 0.000 1.077 513 V CA -0.949 61.353 62.300 0.002 0.000 0.910 513 V CB 2.626 34.453 31.823 0.006 0.000 1.008 513 V HN 0.414 nan 8.190 nan 0.000 0.424 514 V N 3.563 123.477 119.914 -0.001 0.000 2.872 514 V HA 0.668 4.788 4.120 -0.001 0.000 0.307 514 V C 0.589 176.683 176.094 0.001 0.000 1.072 514 V CA 0.749 63.045 62.300 -0.005 0.000 1.148 514 V CB 0.813 32.631 31.823 -0.009 0.000 0.954 514 V HN 1.183 nan 8.190 nan 0.000 0.490 515 A N 4.482 127.297 122.820 -0.008 0.000 2.599 515 A HA 0.915 5.234 4.320 -0.001 0.000 0.290 515 A C -0.758 176.804 177.584 -0.036 0.000 1.101 515 A CA -0.872 51.161 52.037 -0.008 0.000 0.674 515 A CB 1.938 20.939 19.000 0.001 0.000 1.277 515 A HN 0.871 nan 8.150 nan 0.000 0.419 516 R N 1.324 121.791 120.500 -0.055 0.000 2.569 516 R HA 0.403 4.742 4.340 -0.001 0.000 0.293 516 R C -0.425 175.824 176.300 -0.085 0.000 1.186 516 R CA -0.499 55.546 56.100 -0.092 0.000 0.956 516 R CB 0.751 30.953 30.300 -0.164 0.000 1.196 516 R HN 0.883 nan 8.270 nan 0.000 0.444 517 R N 2.124 122.588 120.500 -0.061 0.000 2.221 517 R HA -0.066 4.274 4.340 -0.001 0.000 0.215 517 R C 0.032 176.296 176.300 -0.059 0.000 1.092 517 R CA 1.715 57.787 56.100 -0.047 0.000 0.858 517 R CB -0.055 30.222 30.300 -0.040 0.000 0.791 517 R HN 0.479 nan 8.270 nan 0.000 0.442 518 K N -0.376 119.989 120.400 -0.058 0.000 2.572 518 K HA 0.230 4.550 4.320 -0.001 0.000 0.244 518 K C -0.235 176.323 176.600 -0.071 0.000 0.965 518 K CA 0.208 56.467 56.287 -0.046 0.000 0.943 518 K CB 1.985 34.482 32.500 -0.005 0.000 1.154 518 K HN 0.590 nan 8.250 nan 0.000 0.447 519 G N 2.062 110.791 108.800 -0.119 0.000 2.216 519 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.269 519 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.269 519 G C -0.015 174.806 174.900 -0.131 0.000 0.981 519 G CA 0.675 45.682 45.100 -0.154 0.000 0.658 519 G HN 0.588 nan 8.290 nan 0.000 0.539 520 E N 0.293 120.429 120.200 -0.108 0.000 2.241 520 E HA 0.408 4.758 4.350 -0.001 0.000 0.263 520 E C -2.663 173.888 176.600 -0.083 0.000 0.882 520 E CA -2.399 53.949 56.400 -0.087 0.000 0.769 520 E CB 2.015 31.677 29.700 -0.065 0.000 1.185 520 E HN 0.015 nan 8.360 nan 0.000 0.415 521 P HA -0.065 nan 4.420 nan 0.000 0.258 521 P C -1.202 176.069 177.300 -0.050 0.000 1.172 521 P CA 0.257 63.317 63.100 -0.066 0.000 0.762 521 P CB 0.430 32.097 31.700 -0.054 0.000 0.764 522 V N 6.079 125.966 119.914 -0.045 0.000 2.569 522 V HA 0.256 4.376 4.120 -0.001 0.000 0.301 522 V C 0.097 176.176 176.094 -0.025 0.000 1.044 522 V CA -0.790 61.489 62.300 -0.034 0.000 0.874 522 V CB 2.136 33.938 31.823 -0.034 0.000 1.002 522 V HN 0.477 nan 8.190 nan 0.000 0.424 523 I N 6.599 127.157 120.570 -0.021 0.000 2.372 523 I HA 0.351 4.521 4.170 -0.001 0.000 0.298 523 I C -0.449 175.660 176.117 -0.013 0.000 1.137 523 I CA 0.487 61.778 61.300 -0.015 0.000 1.314 523 I CB 0.454 38.447 38.000 -0.013 0.000 1.444 523 I HN 0.383 nan 8.210 nan 0.000 0.541 524 V N 6.398 126.305 119.914 -0.012 0.000 2.966 524 V HA 0.435 4.555 4.120 -0.001 0.000 0.317 524 V C 0.365 176.454 176.094 -0.009 0.000 1.070 524 V CA -0.279 62.014 62.300 -0.011 0.000 1.008 524 V CB 2.314 34.131 31.823 -0.011 0.000 1.070 524 V HN 0.865 nan 8.190 nan 0.000 0.457 525 S N 3.046 118.739 115.700 -0.010 0.000 2.616 525 S HA 0.427 4.897 4.470 -0.001 0.000 0.277 525 S C -1.948 172.646 174.600 -0.011 0.000 1.234 525 S CA -1.195 56.999 58.200 -0.009 0.000 1.028 525 S CB 1.397 64.591 63.200 -0.010 0.000 0.988 525 S HN 0.536 nan 8.310 nan 0.000 0.522 526 P HA -0.113 nan 4.420 nan 0.000 0.222 526 P C 0.474 177.763 177.300 -0.018 0.000 1.142 526 P CA 1.264 64.358 63.100 -0.010 0.000 0.788 526 P CB -0.091 31.605 31.700 -0.006 0.000 0.767 527 E N -0.636 119.552 120.200 -0.019 0.000 2.442 527 E HA -0.050 4.299 4.350 -0.001 0.000 0.195 527 E C 1.345 177.925 176.600 -0.033 0.000 1.030 527 E CA 0.470 56.855 56.400 -0.025 0.000 0.869 527 E CB -0.180 29.507 29.700 -0.021 0.000 0.857 527 E HN 0.490 nan 8.360 nan 0.000 0.505 528 E N 0.713 120.895 120.200 -0.029 0.000 2.460 528 E HA 0.058 4.408 4.350 -0.001 0.000 0.200 528 E C 0.137 176.714 176.600 -0.038 0.000 1.011 528 E CA -0.014 56.368 56.400 -0.031 0.000 0.912 528 E CB 0.635 30.323 29.700 -0.021 0.000 0.953 528 E HN -0.027 nan 8.360 nan 0.000 0.494 529 V N 3.919 123.812 119.914 -0.036 0.000 2.382 529 V HA -0.073 4.047 4.120 -0.001 0.000 0.250 529 V C 1.117 177.158 176.094 -0.089 0.000 1.069 529 V CA 0.784 63.063 62.300 -0.034 0.000 1.130 529 V CB -0.555 31.260 31.823 -0.013 0.000 1.165 529 V HN 0.248 nan 8.190 nan 0.000 0.483 530 E N 3.563 123.682 120.200 -0.134 0.000 2.076 530 E HA 0.080 4.429 4.350 -0.001 0.000 0.190 530 E C -0.004 176.252 176.600 -0.574 0.000 0.979 530 E CA 0.898 57.079 56.400 -0.365 0.000 0.807 530 E CB 0.267 29.745 29.700 -0.369 0.000 0.761 530 E HN 0.601 nan 8.360 nan 0.000 0.454 531 F N -0.302 119.620 119.950 -0.047 0.000 2.599 531 F HA 0.486 5.012 4.527 -0.001 0.000 0.311 531 F C -0.381 175.432 175.800 0.022 0.000 1.076 531 F CA -1.487 56.484 58.000 -0.048 0.000 0.937 531 F CB 2.126 41.045 39.000 -0.135 0.000 1.282 531 F HN -0.144 nan 8.300 nan 0.000 0.460 532 M N 1.295 121.086 119.600 0.318 0.000 2.591 532 M HA 0.412 4.892 4.480 -0.001 0.000 0.306 532 M C -1.416 175.053 176.300 0.282 0.000 1.190 532 M CA -0.357 55.082 55.300 0.232 0.000 0.889 532 M CB 1.686 34.367 32.600 0.135 0.000 1.728 532 M HN 0.449 nan 8.290 nan 0.000 0.458 533 D N 1.327 121.861 120.400 0.223 0.000 2.414 533 D HA 0.121 4.761 4.640 -0.001 0.000 0.242 533 D C 0.895 177.140 176.300 -0.093 0.000 1.129 533 D CA 0.136 54.176 54.000 0.067 0.000 0.885 533 D CB 1.117 41.963 40.800 0.078 0.000 1.198 533 D HN 0.420 nan 8.370 nan 0.000 0.437 534 V N 1.479 121.214 119.914 -0.299 0.000 2.237 534 V HA -0.088 4.032 4.120 -0.001 0.000 0.245 534 V C 0.872 176.794 176.094 -0.287 0.000 1.046 534 V CA 1.971 64.068 62.300 -0.339 0.000 1.007 534 V CB -0.375 31.082 31.823 -0.610 0.000 0.638 534 V HN 0.780 nan 8.190 nan 0.000 0.445 535 S N -2.923 112.565 115.700 -0.353 0.000 2.547 535 S HA 0.438 4.907 4.470 -0.001 0.000 0.270 535 S C -2.570 171.982 174.600 -0.079 0.000 1.150 535 S CA -0.944 57.150 58.200 -0.177 0.000 0.850 535 S CB 1.560 64.658 63.200 -0.170 0.000 1.118 535 S HN 0.014 nan 8.310 nan 0.000 0.461 536 P HA -0.058 nan 4.420 nan 0.000 0.220 536 P C 0.905 178.369 177.300 0.273 0.000 1.148 536 P CA 1.116 64.336 63.100 0.200 0.000 0.803 536 P CB -0.033 31.880 31.700 0.355 0.000 0.782 537 K N 0.673 121.212 120.400 0.232 0.000 2.063 537 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 537 K C 2.169 178.959 176.600 0.316 0.000 1.048 537 K CA 1.554 58.027 56.287 0.310 0.000 0.928 537 K CB -0.876 31.844 32.500 0.365 0.000 0.713 537 K HN 0.363 nan 8.250 nan 0.000 0.442 538 Q N 1.355 121.265 119.800 0.183 0.000 2.443 538 Q HA -0.090 4.250 4.340 -0.001 0.000 0.213 538 Q C 1.726 177.681 176.000 -0.074 0.000 0.982 538 Q CA 1.157 57.047 55.803 0.144 0.000 0.894 538 Q CB -0.333 28.271 28.738 -0.223 0.000 0.947 538 Q HN 0.084 nan 8.270 nan 0.000 0.480 539 V N 0.018 119.821 119.914 -0.185 0.000 2.548 539 V HA -0.056 4.064 4.120 -0.001 0.000 0.249 539 V C 0.686 176.407 176.094 -0.621 0.000 1.055 539 V CA 1.248 63.194 62.300 -0.591 0.000 1.065 539 V CB -0.543 30.815 31.823 -0.775 0.000 0.681 539 V HN 0.257 nan 8.190 nan 0.000 0.462 540 F N -0.974 118.978 119.950 0.004 0.000 2.746 540 F HA 0.603 5.130 4.527 -0.000 0.000 0.378 540 F C 0.747 176.567 175.800 0.034 0.000 1.165 540 F CA -0.808 57.210 58.000 0.031 0.000 1.089 540 F CB 0.627 39.655 39.000 0.046 0.000 1.439 540 F HN -0.165 nan 8.300 nan 0.000 0.516 541 S N -0.511 115.354 115.700 0.275 0.000 2.693 541 S HA 0.433 4.903 4.470 -0.001 0.000 0.276 541 S C 0.752 175.411 174.600 0.097 0.000 1.192 541 S CA -0.559 57.725 58.200 0.141 0.000 0.994 541 S CB 1.218 64.483 63.200 0.109 0.000 1.012 541 S HN 0.405 nan 8.310 nan 0.000 0.550 542 V N 1.042 120.983 119.914 0.044 0.000 2.233 542 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 542 V C 2.502 178.594 176.094 -0.002 0.000 1.050 542 V CA 2.351 64.656 62.300 0.008 0.000 1.010 542 V CB -1.860 29.956 31.823 -0.012 0.000 0.637 542 V HN 0.983 nan 8.190 nan 0.000 0.444 543 N N 0.122 118.826 118.700 0.007 0.000 2.184 543 N HA -0.209 4.531 4.740 -0.001 0.000 0.190 543 N C 1.663 177.161 175.510 -0.020 0.000 1.011 543 N CA 2.088 55.137 53.050 -0.002 0.000 0.867 543 N CB -0.130 38.367 38.487 0.016 0.000 0.993 543 N HN 0.613 nan 8.380 nan 0.000 0.433 544 T N -0.536 114.013 114.554 -0.008 0.000 2.939 544 T HA 0.047 4.397 4.350 -0.001 0.000 0.254 544 T C 1.423 176.032 174.700 -0.151 0.000 1.041 544 T CA 0.255 62.316 62.100 -0.065 0.000 1.142 544 T CB -0.197 68.659 68.868 -0.019 0.000 0.874 544 T HN 0.252 nan 8.240 nan 0.000 0.452 545 N N 1.433 120.072 118.700 -0.101 0.000 2.503 545 N HA -0.007 4.733 4.740 -0.001 0.000 0.189 545 N C 1.331 176.752 175.510 -0.149 0.000 1.048 545 N CA 0.606 53.580 53.050 -0.126 0.000 0.905 545 N CB -0.263 38.209 38.487 -0.023 0.000 0.951 545 N HN 0.396 nan 8.380 nan 0.000 0.446 546 L N 0.528 121.667 121.223 -0.139 0.000 2.610 546 L HA 0.132 4.471 4.340 -0.001 0.000 0.232 546 L C 0.409 177.144 176.870 -0.225 0.000 1.149 546 L CA 0.118 54.862 54.840 -0.160 0.000 0.872 546 L CB 0.044 42.027 42.059 -0.126 0.000 0.992 546 L HN 0.001 nan 8.230 nan 0.000 0.447 547 I N -0.004 120.418 120.570 -0.248 0.000 2.371 547 I HA 0.113 4.283 4.170 -0.001 0.000 0.290 547 I C -1.356 174.567 176.117 -0.324 0.000 1.028 547 I CA -1.924 59.198 61.300 -0.297 0.000 1.345 547 I CB 0.884 38.725 38.000 -0.265 0.000 1.407 547 I HN -0.161 nan 8.210 nan 0.000 0.501 548 P HA -0.181 nan 4.420 nan 0.000 0.201 548 P C 0.142 177.202 177.300 -0.401 0.000 1.046 548 P CA 1.592 64.378 63.100 -0.522 0.000 0.942 548 P CB 0.080 31.312 31.700 -0.780 0.000 0.733 549 F N -1.135 118.833 119.950 0.031 0.000 2.611 549 F HA 0.224 4.751 4.527 -0.001 0.000 0.321 549 F C 1.437 177.200 175.800 -0.062 0.000 1.208 549 F CA -0.614 57.398 58.000 0.019 0.000 1.249 549 F CB -1.253 37.898 39.000 0.253 0.000 1.514 549 F HN -0.163 nan 8.300 nan 0.000 0.561 550 L N 1.769 122.899 121.223 -0.156 0.000 2.064 550 L HA -0.297 4.043 4.340 -0.001 0.000 0.216 550 L C 2.444 179.191 176.870 -0.204 0.000 1.077 550 L CA 2.128 56.804 54.840 -0.274 0.000 0.766 550 L CB -0.642 41.037 42.059 -0.634 0.000 0.890 550 L HN 0.577 nan 8.230 nan 0.000 0.435 551 E N -1.794 118.176 120.200 -0.385 0.000 2.169 551 E HA -0.292 4.058 4.350 -0.001 0.000 0.202 551 E C 1.131 177.643 176.600 -0.147 0.000 1.016 551 E CA 1.984 58.293 56.400 -0.152 0.000 0.817 551 E CB -0.826 28.710 29.700 -0.274 0.000 0.736 551 E HN 0.690 nan 8.360 nan 0.000 0.462 552 H N 0.380 119.508 119.070 0.097 0.000 2.505 552 H HA 0.286 4.842 4.556 0.000 0.000 0.289 552 H C -0.513 174.848 175.328 0.054 0.000 1.052 552 H CA -0.035 56.050 56.048 0.061 0.000 1.156 552 H CB 0.261 30.024 29.762 0.001 0.000 1.507 552 H HN 0.115 nan 8.280 nan 0.000 0.548 553 D N 0.970 121.461 120.400 0.151 0.000 2.505 553 D HA 0.045 4.685 4.640 -0.001 0.000 0.249 553 D C -0.295 176.070 176.300 0.109 0.000 1.082 553 D CA -0.658 53.415 54.000 0.122 0.000 0.839 553 D CB 1.918 42.806 40.800 0.146 0.000 1.317 553 D HN 0.127 nan 8.370 nan 0.000 0.497 554 D N 1.187 121.643 120.400 0.093 0.000 2.479 554 D HA 0.076 4.716 4.640 -0.001 0.000 0.257 554 D C 1.184 177.540 176.300 0.094 0.000 1.230 554 D CA -0.098 53.955 54.000 0.088 0.000 0.912 554 D CB 0.783 41.623 40.800 0.068 0.000 1.130 554 D HN 0.372 nan 8.370 nan 0.000 0.515 555 A N 4.284 127.172 122.820 0.114 0.000 2.054 555 A HA -0.359 3.961 4.320 -0.001 0.000 0.223 555 A C 2.012 179.656 177.584 0.099 0.000 1.169 555 A CA 2.159 54.274 52.037 0.129 0.000 0.655 555 A CB -0.811 18.283 19.000 0.156 0.000 0.812 555 A HN 0.787 nan 8.150 nan 0.000 0.462 556 N N -0.597 118.151 118.700 0.080 0.000 2.080 556 N HA -0.108 4.632 4.740 -0.001 0.000 0.189 556 N C 1.689 177.233 175.510 0.057 0.000 1.036 556 N CA 1.370 54.459 53.050 0.064 0.000 0.846 556 N CB -0.202 38.317 38.487 0.054 0.000 1.015 556 N HN 0.372 nan 8.380 nan 0.000 0.423 557 R N -0.307 120.227 120.500 0.058 0.000 2.335 557 R HA 0.212 4.551 4.340 -0.001 0.000 0.223 557 R C 0.799 177.135 176.300 0.060 0.000 0.940 557 R CA 0.384 56.516 56.100 0.054 0.000 1.086 557 R CB 0.103 30.434 30.300 0.053 0.000 1.073 557 R HN 0.297 nan 8.270 nan 0.000 0.504 558 A N 0.625 123.482 122.820 0.061 0.000 2.095 558 A HA -0.015 4.305 4.320 -0.001 0.000 0.212 558 A C 1.957 179.561 177.584 0.033 0.000 1.162 558 A CA 0.050 52.114 52.037 0.045 0.000 0.753 558 A CB -0.065 18.957 19.000 0.036 0.000 0.840 558 A HN 0.370 nan 8.150 nan 0.000 0.468 559 L N -0.889 120.364 121.223 0.049 0.000 2.017 559 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 559 L C 2.363 179.253 176.870 0.034 0.000 1.073 559 L CA 2.058 56.926 54.840 0.048 0.000 0.745 559 L CB -0.401 41.690 42.059 0.053 0.000 0.894 559 L HN 0.362 nan 8.230 nan 0.000 0.432 560 M N 0.189 119.809 119.600 0.034 0.000 2.106 560 M HA -0.166 4.314 4.480 -0.001 0.000 0.259 560 M C 2.278 178.591 176.300 0.021 0.000 1.068 560 M CA 1.875 57.191 55.300 0.028 0.000 1.100 560 M CB -1.251 31.366 32.600 0.029 0.000 1.351 560 M HN 0.571 nan 8.290 nan 0.000 0.404 561 G N -0.271 108.539 108.800 0.017 0.000 2.421 561 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.216 561 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.216 561 G C 1.610 176.504 174.900 -0.010 0.000 1.171 561 G CA 1.201 46.299 45.100 -0.003 0.000 0.775 561 G HN 0.448 nan 8.290 nan 0.000 0.543 562 S N 0.977 116.674 115.700 -0.005 0.000 2.356 562 S HA -0.127 4.343 4.470 -0.001 0.000 0.223 562 S C 2.271 176.878 174.600 0.012 0.000 1.032 562 S CA 1.079 59.279 58.200 -0.001 0.000 1.005 562 S CB -0.302 62.907 63.200 0.015 0.000 0.867 562 S HN 0.372 nan 8.310 nan 0.000 0.449 563 N N 0.764 119.476 118.700 0.020 0.000 2.244 563 N HA 0.059 4.799 4.740 -0.001 0.000 0.183 563 N C 1.649 177.171 175.510 0.021 0.000 1.016 563 N CA 0.783 53.847 53.050 0.024 0.000 0.866 563 N CB -0.279 38.224 38.487 0.027 0.000 0.980 563 N HN 0.301 nan 8.380 nan 0.000 0.430 564 M N 1.287 120.897 119.600 0.017 0.000 2.117 564 M HA -0.149 4.331 4.480 -0.001 0.000 0.262 564 M C 1.926 178.238 176.300 0.020 0.000 1.065 564 M CA 1.475 56.785 55.300 0.017 0.000 1.114 564 M CB -0.056 32.552 32.600 0.013 0.000 1.361 564 M HN 0.087 nan 8.290 nan 0.000 0.408 565 Q N -1.266 118.545 119.800 0.020 0.000 2.291 565 Q HA -0.137 4.203 4.340 -0.001 0.000 0.206 565 Q C 1.511 177.523 176.000 0.020 0.000 0.976 565 Q CA 1.766 57.585 55.803 0.027 0.000 0.875 565 Q CB -0.322 28.427 28.738 0.018 0.000 0.927 565 Q HN 0.563 nan 8.270 nan 0.000 0.450 566 T N 0.396 114.959 114.554 0.015 0.000 3.113 566 T HA -0.077 4.272 4.350 -0.001 0.000 0.263 566 T C 1.072 175.769 174.700 -0.004 0.000 1.143 566 T CA 0.738 62.842 62.100 0.008 0.000 1.090 566 T CB 0.007 68.884 68.868 0.014 0.000 0.922 566 T HN 0.342 nan 8.240 nan 0.000 0.521 567 Q N 0.340 120.147 119.800 0.012 0.000 2.155 567 Q HA 0.486 4.826 4.340 -0.001 0.000 0.220 567 Q C 0.293 176.321 176.000 0.045 0.000 0.819 567 Q CA -0.469 55.349 55.803 0.026 0.000 1.032 567 Q CB 0.709 29.481 28.738 0.057 0.000 1.151 567 Q HN 0.437 nan 8.270 nan 0.000 0.487 568 A N 1.197 124.035 122.820 0.030 0.000 2.450 568 A HA 0.306 4.625 4.320 -0.001 0.000 0.255 568 A C -0.152 177.461 177.584 0.048 0.000 1.096 568 A CA -0.180 51.880 52.037 0.038 0.000 0.778 568 A CB 0.623 19.651 19.000 0.047 0.000 1.031 568 A HN 0.189 nan 8.150 nan 0.000 0.494 569 V N 5.285 125.240 119.914 0.067 0.000 2.407 569 V HA 0.481 4.600 4.120 -0.001 0.000 0.278 569 V C -2.374 173.764 176.094 0.073 0.000 1.037 569 V CA -2.291 60.067 62.300 0.097 0.000 0.900 569 V CB 1.385 33.297 31.823 0.149 0.000 0.983 569 V HN 0.791 nan 8.190 nan 0.000 0.459 570 P HA 0.213 nan 4.420 nan 0.000 0.266 570 P C -0.971 176.364 177.300 0.059 0.000 1.215 570 P CA 0.099 63.226 63.100 0.045 0.000 0.763 570 P CB 0.345 32.059 31.700 0.023 0.000 0.806 571 L N 4.281 125.532 121.223 0.047 0.000 2.307 571 L HA 0.304 4.644 4.340 -0.001 0.000 0.282 571 L C 1.858 178.739 176.870 0.017 0.000 1.051 571 L CA -0.188 54.679 54.840 0.046 0.000 0.804 571 L CB 0.861 42.943 42.059 0.037 0.000 1.197 571 L HN 0.372 nan 8.230 nan 0.000 0.431 572 I N -0.613 119.976 120.570 0.032 0.000 2.315 572 I HA -0.176 3.994 4.170 -0.001 0.000 0.251 572 I C 0.782 176.883 176.117 -0.026 0.000 1.125 572 I CA 1.299 62.613 61.300 0.023 0.000 1.392 572 I CB -0.474 37.558 38.000 0.054 0.000 1.065 572 I HN 0.482 nan 8.210 nan 0.000 0.424 573 R N 2.124 122.582 120.500 -0.070 0.000 2.278 573 R HA 0.636 4.975 4.340 -0.001 0.000 0.322 573 R C -0.672 175.534 176.300 -0.156 0.000 1.058 573 R CA -0.335 55.680 56.100 -0.143 0.000 0.991 573 R CB 1.379 31.524 30.300 -0.258 0.000 1.140 573 R HN 0.334 nan 8.270 nan 0.000 0.518 574 A N 3.184 125.949 122.820 -0.091 0.000 2.301 574 A HA 0.388 4.708 4.320 -0.001 0.000 0.312 574 A C -0.449 177.114 177.584 -0.036 0.000 1.182 574 A CA -0.395 51.613 52.037 -0.048 0.000 0.826 574 A CB 0.970 19.965 19.000 -0.008 0.000 1.134 574 A HN 0.644 nan 8.150 nan 0.000 0.501 575 Q N 0.398 120.203 119.800 0.008 0.000 2.372 575 Q HA 0.605 4.945 4.340 -0.001 0.000 0.273 575 Q C -0.364 175.755 176.000 0.199 0.000 1.078 575 Q CA -0.745 55.098 55.803 0.067 0.000 0.806 575 Q CB 2.432 31.182 28.738 0.020 0.000 1.332 575 Q HN 0.971 nan 8.270 nan 0.000 0.435 576 A N 2.860 125.779 122.820 0.166 0.000 2.287 576 A HA 0.626 4.946 4.320 -0.001 0.000 0.273 576 A C -2.388 175.251 177.584 0.092 0.000 1.091 576 A CA -1.284 50.823 52.037 0.117 0.000 0.817 576 A CB -0.068 18.953 19.000 0.034 0.000 1.069 576 A HN 0.392 nan 8.150 nan 0.000 0.492 577 P HA 0.147 nan 4.420 nan 0.000 0.271 577 P C 1.169 178.407 177.300 -0.103 0.000 1.216 577 P CA -0.102 62.796 63.100 -0.337 0.000 0.776 577 P CB 0.600 31.761 31.700 -0.898 0.000 0.881 578 V N 1.872 121.817 119.914 0.053 0.000 2.469 578 V HA -0.117 4.003 4.120 -0.001 0.000 0.251 578 V C 0.930 177.068 176.094 0.074 0.000 1.064 578 V CA 1.363 63.716 62.300 0.088 0.000 1.066 578 V CB -0.921 31.014 31.823 0.188 0.000 0.667 578 V HN 0.393 nan 8.190 nan 0.000 0.461 579 V N 2.089 122.000 119.914 -0.005 0.000 2.525 579 V HA 0.682 4.802 4.120 -0.001 0.000 0.299 579 V C -0.686 175.289 176.094 -0.199 0.000 1.034 579 V CA -0.736 61.549 62.300 -0.025 0.000 0.863 579 V CB 1.696 33.506 31.823 -0.022 0.000 0.999 579 V HN 0.439 nan 8.190 nan 0.000 0.423 580 M N 4.403 123.900 119.600 -0.170 0.000 2.761 580 M HA 0.457 4.937 4.480 -0.001 0.000 0.305 580 M C 1.116 177.317 176.300 -0.165 0.000 1.235 580 M CA -0.342 54.822 55.300 -0.227 0.000 0.850 580 M CB 2.060 34.513 32.600 -0.246 0.000 1.744 580 M HN 0.665 nan 8.290 nan 0.000 0.480 581 T N -3.289 111.164 114.554 -0.168 0.000 3.010 581 T HA 0.337 4.687 4.350 -0.001 0.000 0.252 581 T C 1.171 175.835 174.700 -0.059 0.000 1.047 581 T CA 1.073 63.102 62.100 -0.118 0.000 1.140 581 T CB 0.136 68.918 68.868 -0.143 0.000 0.885 581 T HN 1.064 nan 8.240 nan 0.000 0.464 582 G N 0.350 109.112 108.800 -0.064 0.000 2.672 582 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.197 582 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.197 582 G C 0.546 175.442 174.900 -0.008 0.000 0.995 582 G CA 0.074 45.160 45.100 -0.022 0.000 0.754 582 G HN 0.407 nan 8.290 nan 0.000 0.505 583 L N 1.956 123.164 121.223 -0.026 0.000 2.607 583 L HA 0.296 4.635 4.340 -0.001 0.000 0.228 583 L C 2.459 179.328 176.870 -0.002 0.000 1.123 583 L CA 0.972 55.803 54.840 -0.016 0.000 0.890 583 L CB 0.116 42.156 42.059 -0.031 0.000 1.103 583 L HN 0.275 nan 8.230 nan 0.000 0.468 584 E N 0.166 120.365 120.200 -0.003 0.000 2.086 584 E HA -0.315 4.035 4.350 -0.001 0.000 0.200 584 E C 1.593 178.261 176.600 0.113 0.000 1.012 584 E CA 1.657 58.080 56.400 0.038 0.000 0.812 584 E CB -0.392 29.325 29.700 0.028 0.000 0.743 584 E HN 0.574 nan 8.360 nan 0.000 0.453 585 E N 0.458 120.762 120.200 0.173 0.000 2.058 585 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 585 E C 2.280 178.917 176.600 0.061 0.000 0.997 585 E CA 0.857 57.367 56.400 0.183 0.000 0.801 585 E CB -0.109 29.717 29.700 0.210 0.000 0.746 585 E HN 0.124 nan 8.360 nan 0.000 0.450 586 R N 0.416 120.926 120.500 0.018 0.000 2.275 586 R HA -0.011 4.329 4.340 -0.001 0.000 0.199 586 R C 2.047 178.322 176.300 -0.041 0.000 0.989 586 R CA 0.043 56.120 56.100 -0.038 0.000 1.016 586 R CB 0.319 30.585 30.300 -0.057 0.000 0.918 586 R HN 0.019 nan 8.270 nan 0.000 0.473 587 V N 0.387 120.293 119.914 -0.014 0.000 2.323 587 V HA -0.208 3.912 4.120 -0.001 0.000 0.244 587 V C 2.320 178.407 176.094 -0.011 0.000 1.041 587 V CA 1.793 64.082 62.300 -0.018 0.000 1.025 587 V CB -0.175 31.643 31.823 -0.009 0.000 0.656 587 V HN 0.338 nan 8.190 nan 0.000 0.451 588 V N -0.865 119.061 119.914 0.019 0.000 2.759 588 V HA -0.165 3.955 4.120 -0.001 0.000 0.256 588 V C 2.316 178.437 176.094 0.046 0.000 1.080 588 V CA 2.164 64.489 62.300 0.041 0.000 1.101 588 V CB -0.764 31.106 31.823 0.077 0.000 0.698 588 V HN 0.442 nan 8.190 nan 0.000 0.477 589 R N -0.300 120.182 120.500 -0.030 0.000 2.090 589 R HA -0.020 4.319 4.340 -0.001 0.000 0.219 589 R C 2.103 178.307 176.300 -0.160 0.000 1.100 589 R CA 1.367 57.352 56.100 -0.192 0.000 0.991 589 R CB -0.156 29.906 30.300 -0.397 0.000 0.893 589 R HN 0.549 nan 8.270 nan 0.000 0.443 590 D N 0.645 120.975 120.400 -0.117 0.000 2.149 590 D HA -0.081 4.559 4.640 -0.001 0.000 0.201 590 D C 0.894 177.148 176.300 -0.077 0.000 0.972 590 D CA 0.917 54.856 54.000 -0.101 0.000 0.835 590 D CB -0.141 40.605 40.800 -0.091 0.000 0.966 590 D HN 0.214 nan 8.370 nan 0.000 0.476 591 S N 0.026 115.691 115.700 -0.057 0.000 2.608 591 S HA 0.196 4.665 4.470 -0.001 0.000 0.261 591 S C 0.434 175.008 174.600 -0.044 0.000 1.314 591 S CA -0.515 57.657 58.200 -0.047 0.000 0.992 591 S CB 0.914 64.095 63.200 -0.032 0.000 0.935 591 S HN 0.128 nan 8.310 nan 0.000 0.564 592 L N 1.717 122.908 121.223 -0.052 0.000 2.843 592 L HA 0.375 4.715 4.340 -0.001 0.000 0.234 592 L C 1.253 178.091 176.870 -0.054 0.000 1.264 592 L CA -0.440 54.371 54.840 -0.050 0.000 1.052 592 L CB -0.323 41.690 42.059 -0.076 0.000 1.372 592 L HN 0.965 nan 8.230 nan 0.000 0.466 593 A N 0.869 123.672 122.820 -0.027 0.000 1.832 593 A HA 0.374 4.693 4.320 -0.001 0.000 0.214 593 A C 1.340 178.884 177.584 -0.067 0.000 1.242 593 A CA 0.928 52.936 52.037 -0.048 0.000 0.603 593 A CB -0.148 18.837 19.000 -0.025 0.000 0.902 593 A HN 0.473 nan 8.150 nan 0.000 0.455 594 A N -1.005 121.798 122.820 -0.028 0.000 2.332 594 A HA 0.539 4.859 4.320 -0.001 0.000 0.258 594 A C -0.405 177.086 177.584 -0.155 0.000 1.087 594 A CA -0.268 51.679 52.037 -0.151 0.000 0.802 594 A CB 0.140 18.973 19.000 -0.279 0.000 1.042 594 A HN 0.789 nan 8.150 nan 0.000 0.489 595 L N 1.532 122.575 121.223 -0.300 0.000 2.262 595 L HA 0.542 4.881 4.340 -0.001 0.000 0.288 595 L C -1.214 175.437 176.870 -0.365 0.000 1.035 595 L CA -0.015 54.668 54.840 -0.262 0.000 0.820 595 L CB 0.059 41.957 42.059 -0.269 0.000 1.204 595 L HN 0.615 nan 8.230 nan 0.000 0.424 596 Y N 2.900 123.100 120.300 -0.167 0.000 2.432 596 Y HA 0.698 5.248 4.550 -0.001 0.000 0.322 596 Y C 0.615 176.462 175.900 -0.089 0.000 1.246 596 Y CA -0.400 57.633 58.100 -0.112 0.000 1.268 596 Y CB 1.248 39.650 38.460 -0.097 0.000 1.276 596 Y HN 0.652 nan 8.280 nan 0.000 0.499 597 A N 1.367 124.277 122.820 0.151 0.000 2.301 597 A HA 0.303 4.623 4.320 -0.001 0.000 0.298 597 A C 0.629 178.285 177.584 0.121 0.000 1.185 597 A CA -0.566 51.587 52.037 0.194 0.000 0.830 597 A CB 0.194 19.310 19.000 0.194 0.000 1.112 597 A HN 0.954 nan 8.150 nan 0.000 0.508 598 E N 1.469 121.740 120.200 0.118 0.000 1.969 598 E HA -0.138 4.212 4.350 -0.001 0.000 0.204 598 E C 0.525 176.986 176.600 -0.231 0.000 0.982 598 E CA 1.322 57.674 56.400 -0.080 0.000 0.871 598 E CB -0.021 29.603 29.700 -0.126 0.000 0.815 598 E HN 0.847 nan 8.360 nan 0.000 0.527 599 E N 0.620 120.474 120.200 -0.576 0.000 2.446 599 E HA 0.063 4.412 4.350 -0.001 0.000 0.251 599 E C -0.739 175.697 176.600 -0.273 0.000 1.087 599 E CA -0.624 55.533 56.400 -0.404 0.000 0.937 599 E CB 0.818 30.274 29.700 -0.406 0.000 1.254 599 E HN 0.018 nan 8.360 nan 0.000 0.479 600 D N -0.507 119.832 120.400 -0.100 0.000 2.361 600 D HA 0.411 5.051 4.640 -0.001 0.000 0.239 600 D C 0.251 176.643 176.300 0.153 0.000 1.200 600 D CA 0.616 54.635 54.000 0.030 0.000 0.915 600 D CB 1.138 41.949 40.800 0.018 0.000 1.170 600 D HN 0.597 nan 8.370 nan 0.000 0.444 601 G N -0.505 108.396 108.800 0.167 0.000 2.344 601 G HA2 0.226 4.186 3.960 -0.001 0.000 0.282 601 G HA3 0.226 4.186 3.960 -0.001 0.000 0.282 601 G C -1.616 173.343 174.900 0.098 0.000 1.281 601 G CA -0.650 44.557 45.100 0.178 0.000 0.877 601 G HN 0.471 nan 8.290 nan 0.000 0.494 602 E N -1.323 118.907 120.200 0.051 0.000 2.359 602 E HA 0.645 4.994 4.350 -0.001 0.000 0.266 602 E C -1.020 175.566 176.600 -0.022 0.000 0.920 602 E CA -0.763 55.645 56.400 0.014 0.000 0.788 602 E CB 2.655 32.356 29.700 0.001 0.000 1.279 602 E HN 0.341 nan 8.360 nan 0.000 0.438 603 V N 2.654 122.555 119.914 -0.022 0.000 2.432 603 V HA 0.315 4.435 4.120 -0.001 0.000 0.275 603 V C 0.701 176.765 176.094 -0.050 0.000 1.043 603 V CA 0.354 62.630 62.300 -0.041 0.000 0.925 603 V CB 0.908 32.717 31.823 -0.023 0.000 0.985 603 V HN 0.896 nan 8.190 nan 0.000 0.466 604 A N 5.773 128.550 122.820 -0.073 0.000 1.896 604 A HA 0.258 4.578 4.320 -0.001 0.000 0.213 604 A C 0.758 178.311 177.584 -0.052 0.000 1.306 604 A CA 0.530 52.527 52.037 -0.066 0.000 0.626 604 A CB 0.148 19.095 19.000 -0.089 0.000 0.994 604 A HN 0.751 nan 8.150 nan 0.000 0.475 605 K N 0.126 120.492 120.400 -0.056 0.000 2.316 605 K HA 0.578 4.897 4.320 -0.001 0.000 0.251 605 K C -1.339 175.240 176.600 -0.034 0.000 0.934 605 K CA -0.692 55.570 56.287 -0.041 0.000 0.802 605 K CB 2.449 34.924 32.500 -0.041 0.000 1.171 605 K HN 0.183 nan 8.250 nan 0.000 0.426 606 V N -1.096 118.803 119.914 -0.025 0.000 2.315 606 V HA 0.259 4.379 4.120 -0.001 0.000 0.265 606 V C -0.776 175.309 176.094 -0.015 0.000 1.019 606 V CA -0.843 61.445 62.300 -0.020 0.000 0.824 606 V CB 0.331 32.142 31.823 -0.021 0.000 1.072 606 V HN 0.659 nan 8.190 nan 0.000 0.448 607 D N 3.449 123.842 120.400 -0.012 0.000 2.411 607 D HA 0.553 5.193 4.640 -0.001 0.000 0.251 607 D C 1.472 177.770 176.300 -0.003 0.000 1.201 607 D CA 0.882 54.878 54.000 -0.005 0.000 0.996 607 D CB 1.736 42.535 40.800 -0.002 0.000 1.101 607 D HN 0.479 nan 8.370 nan 0.000 0.504 608 G N -0.417 108.386 108.800 0.006 0.000 2.920 608 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.208 608 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.208 608 G C 0.674 175.581 174.900 0.011 0.000 1.159 608 G CA 0.142 45.248 45.100 0.010 0.000 0.784 608 G HN 0.509 nan 8.290 nan 0.000 0.535 609 N N -0.813 117.895 118.700 0.013 0.000 2.159 609 N HA 0.200 4.940 4.740 -0.001 0.000 0.217 609 N C -0.218 175.299 175.510 0.011 0.000 1.223 609 N CA -0.347 52.714 53.050 0.018 0.000 0.896 609 N CB 0.803 39.310 38.487 0.034 0.000 1.064 609 N HN 0.324 nan 8.380 nan 0.000 0.518 610 R N -0.095 120.408 120.500 0.005 0.000 2.736 610 R HA 0.349 4.689 4.340 -0.001 0.000 0.250 610 R C -2.173 174.129 176.300 0.004 0.000 1.098 610 R CA -0.696 55.411 56.100 0.010 0.000 0.978 610 R CB 0.367 30.671 30.300 0.007 0.000 1.263 610 R HN -0.170 nan 8.270 nan 0.000 0.460 611 I N 2.724 123.309 120.570 0.025 0.000 2.460 611 I HA 0.194 4.364 4.170 -0.001 0.000 0.277 611 I C -0.442 175.658 176.117 -0.030 0.000 1.057 611 I CA -0.665 60.642 61.300 0.012 0.000 1.179 611 I CB 2.091 40.118 38.000 0.045 0.000 1.329 611 I HN 0.473 nan 8.210 nan 0.000 0.478 612 V N 7.273 127.134 119.914 -0.088 0.000 2.326 612 V HA 0.154 4.273 4.120 -0.001 0.000 0.249 612 V C 0.560 176.525 176.094 -0.215 0.000 1.114 612 V CA -0.574 61.618 62.300 -0.180 0.000 1.028 612 V CB 0.153 31.887 31.823 -0.148 0.000 1.170 612 V HN 0.482 nan 8.190 nan 0.000 0.494 613 V N 3.035 122.767 119.914 -0.302 0.000 2.953 613 V HA 0.590 4.709 4.120 -0.001 0.000 0.304 613 V C 0.224 176.035 176.094 -0.472 0.000 1.073 613 V CA -0.838 61.279 62.300 -0.306 0.000 1.064 613 V CB 1.226 32.909 31.823 -0.232 0.000 1.047 613 V HN 0.853 nan 8.190 nan 0.000 0.478 614 R N 2.538 122.820 120.500 -0.364 0.000 2.422 614 R HA 0.398 4.738 4.340 -0.001 0.000 0.307 614 R C -1.350 174.822 176.300 -0.214 0.000 1.004 614 R CA -0.557 55.343 56.100 -0.334 0.000 0.882 614 R CB 0.922 31.118 30.300 -0.173 0.000 1.164 614 R HN 0.893 nan 8.270 nan 0.000 0.489 615 Y N 1.782 122.058 120.300 -0.040 0.000 2.330 615 Y HA 0.014 4.564 4.550 -0.001 0.000 0.341 615 Y C 1.462 177.352 175.900 -0.016 0.000 1.278 615 Y CA -0.363 57.726 58.100 -0.019 0.000 1.453 615 Y CB 0.923 39.376 38.460 -0.012 0.000 1.342 615 Y HN 0.555 nan 8.280 nan 0.000 0.590 616 E N 0.327 120.639 120.200 0.186 0.000 2.478 616 E HA -0.177 4.172 4.350 -0.001 0.000 0.198 616 E C 0.692 177.337 176.600 0.075 0.000 1.046 616 E CA 0.750 57.205 56.400 0.091 0.000 0.870 616 E CB -0.057 29.682 29.700 0.064 0.000 0.818 616 E HN 0.662 nan 8.360 nan 0.000 0.527 617 D N -0.509 119.955 120.400 0.107 0.000 2.378 617 D HA -0.039 4.601 4.640 -0.001 0.000 0.227 617 D C 1.110 177.445 176.300 0.057 0.000 1.012 617 D CA 0.953 54.997 54.000 0.074 0.000 0.905 617 D CB 0.090 40.942 40.800 0.087 0.000 0.895 617 D HN 0.239 nan 8.370 nan 0.000 0.532 618 G N 0.518 109.349 108.800 0.052 0.000 2.157 618 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.239 618 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.239 618 G C 0.179 175.085 174.900 0.010 0.000 0.982 618 G CA 0.148 45.262 45.100 0.022 0.000 0.650 618 G HN 0.558 nan 8.290 nan 0.000 0.527 619 R N -0.694 119.821 120.500 0.024 0.000 2.803 619 R HA 0.872 5.212 4.340 -0.001 0.000 0.276 619 R C -0.619 175.614 176.300 -0.111 0.000 0.978 619 R CA -1.013 55.081 56.100 -0.010 0.000 0.939 619 R CB 1.763 32.090 30.300 0.046 0.000 1.179 619 R HN 0.786 nan 8.270 nan 0.000 0.472 620 L N -0.975 120.143 121.223 -0.175 0.000 2.431 620 L HA 0.747 5.086 4.340 -0.001 0.000 0.266 620 L C -1.220 175.457 176.870 -0.322 0.000 0.978 620 L CA -0.960 53.690 54.840 -0.318 0.000 0.822 620 L CB 2.142 44.059 42.059 -0.237 0.000 1.310 620 L HN 0.441 nan 8.230 nan 0.000 0.409 621 V N 0.605 120.220 119.914 -0.498 0.000 2.823 621 V HA 0.568 4.688 4.120 -0.001 0.000 0.312 621 V C -0.364 175.400 176.094 -0.550 0.000 1.072 621 V CA -0.589 61.433 62.300 -0.464 0.000 0.937 621 V CB 1.811 33.332 31.823 -0.502 0.000 1.013 621 V HN 0.939 nan 8.190 nan 0.000 0.430 622 E N 2.211 122.209 120.200 -0.336 0.000 2.167 622 E HA 0.319 4.669 4.350 -0.001 0.000 0.284 622 E C -1.561 174.973 176.600 -0.109 0.000 1.016 622 E CA -0.431 55.840 56.400 -0.215 0.000 0.817 622 E CB 0.726 30.368 29.700 -0.098 0.000 1.080 622 E HN 0.733 nan 8.360 nan 0.000 0.397 623 Y N 5.733 126.003 120.300 -0.050 0.000 2.593 623 Y HA 0.264 4.813 4.550 -0.000 0.000 0.331 623 Y C -1.952 173.919 175.900 -0.048 0.000 0.986 623 Y CA -2.731 55.343 58.100 -0.043 0.000 1.262 623 Y CB 1.091 39.525 38.460 -0.042 0.000 1.098 623 Y HN 0.476 nan 8.280 nan 0.000 0.506 624 P HA 0.041 nan 4.420 nan 0.000 0.269 624 P C -0.828 176.465 177.300 -0.011 0.000 1.217 624 P CA 0.148 63.274 63.100 0.043 0.000 0.783 624 P CB 0.829 32.551 31.700 0.037 0.000 0.898 625 L N 2.360 123.560 121.223 -0.038 0.000 2.372 625 L HA 0.399 4.739 4.340 -0.001 0.000 0.274 625 L C 0.564 177.347 176.870 -0.144 0.000 0.988 625 L CA -0.717 54.061 54.840 -0.104 0.000 0.833 625 L CB 1.458 43.464 42.059 -0.090 0.000 1.236 625 L HN 0.244 nan 8.230 nan 0.000 0.410 626 R N 3.641 123.949 120.500 -0.320 0.000 2.816 626 R HA -0.082 4.258 4.340 -0.001 0.000 0.344 626 R C 1.172 177.335 176.300 -0.229 0.000 1.065 626 R CA 0.030 55.768 56.100 -0.604 0.000 0.995 626 R CB -0.105 29.472 30.300 -1.206 0.000 0.984 626 R HN 0.643 nan 8.270 nan 0.000 0.435 627 R N 2.150 122.690 120.500 0.066 0.000 2.401 627 R HA -0.141 4.199 4.340 -0.001 0.000 0.198 627 R C -0.077 176.179 176.300 -0.073 0.000 0.980 627 R CA 0.987 57.113 56.100 0.044 0.000 0.839 627 R CB -0.296 30.140 30.300 0.227 0.000 0.717 627 R HN 0.201 nan 8.270 nan 0.000 0.464 628 F N 0.335 120.393 119.950 0.181 0.000 2.375 628 F HA 0.395 4.922 4.527 -0.001 0.000 0.361 628 F C -0.862 175.049 175.800 0.185 0.000 1.117 628 F CA -0.795 57.288 58.000 0.138 0.000 1.037 628 F CB 1.306 40.336 39.000 0.049 0.000 1.192 628 F HN 0.098 nan 8.300 nan 0.000 0.452 629 Y N 1.751 122.068 120.300 0.029 0.000 2.468 629 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 629 Y C 0.242 176.133 175.900 -0.015 0.000 1.021 629 Y CA -1.565 56.518 58.100 -0.029 0.000 1.079 629 Y CB 1.596 40.015 38.460 -0.070 0.000 1.226 629 Y HN 0.430 nan 8.280 nan 0.000 0.460 630 R N 1.740 122.280 120.500 0.066 0.000 2.390 630 R HA 0.448 4.788 4.340 -0.001 0.000 0.291 630 R C -0.204 176.131 176.300 0.059 0.000 1.070 630 R CA -0.221 55.926 56.100 0.077 0.000 1.014 630 R CB 0.550 30.930 30.300 0.133 0.000 1.007 630 R HN 0.795 nan 8.270 nan 0.000 0.466 631 S N 2.946 118.659 115.700 0.021 0.000 2.585 631 S HA 0.125 4.595 4.470 -0.001 0.000 0.277 631 S C 0.596 175.169 174.600 -0.045 0.000 1.241 631 S CA -0.806 57.381 58.200 -0.022 0.000 1.041 631 S CB 1.518 64.691 63.200 -0.045 0.000 0.987 631 S HN 0.767 nan 8.310 nan 0.000 0.512 632 N N 1.868 120.509 118.700 -0.098 0.000 2.182 632 N HA -0.182 4.557 4.740 -0.001 0.000 0.192 632 N C 1.614 177.099 175.510 -0.041 0.000 1.007 632 N CA 2.079 55.032 53.050 -0.161 0.000 0.873 632 N CB -0.308 37.988 38.487 -0.319 0.000 0.998 632 N HN 0.790 nan 8.380 nan 0.000 0.436 633 Q N -2.306 117.472 119.800 -0.037 0.000 2.396 633 Q HA 0.280 4.619 4.340 -0.001 0.000 0.209 633 Q C 0.665 176.675 176.000 0.016 0.000 0.906 633 Q CA 0.649 56.446 55.803 -0.009 0.000 0.927 633 Q CB 0.894 29.538 28.738 -0.158 0.000 1.069 633 Q HN 0.360 nan 8.270 nan 0.000 0.523 634 G N 2.166 110.936 108.800 -0.051 0.000 2.141 634 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.164 634 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.164 634 G C 0.124 174.830 174.900 -0.323 0.000 1.009 634 G CA 0.078 45.070 45.100 -0.179 0.000 0.677 634 G HN 0.328 nan 8.290 nan 0.000 0.508 635 T N -1.267 113.208 114.554 -0.131 0.000 2.895 635 T HA 0.825 5.174 4.350 -0.001 0.000 0.283 635 T C 0.444 175.135 174.700 -0.015 0.000 1.014 635 T CA 0.169 62.229 62.100 -0.066 0.000 1.037 635 T CB 2.342 71.196 68.868 -0.023 0.000 1.006 635 T HN 1.664 nan 8.240 nan 0.000 0.468 636 A N 3.076 125.915 122.820 0.030 0.000 2.450 636 A HA 0.579 4.898 4.320 -0.001 0.000 0.255 636 A C 0.246 177.827 177.584 -0.005 0.000 1.096 636 A CA -0.722 51.353 52.037 0.065 0.000 0.778 636 A CB -0.403 18.680 19.000 0.137 0.000 1.031 636 A HN 0.889 nan 8.150 nan 0.000 0.494 637 L N 4.384 125.595 121.223 -0.020 0.000 2.435 637 L HA 0.329 4.669 4.340 -0.001 0.000 0.253 637 L C -0.836 175.926 176.870 -0.180 0.000 1.087 637 L CA -0.663 54.123 54.840 -0.090 0.000 0.950 637 L CB 0.358 42.372 42.059 -0.075 0.000 1.304 637 L HN 0.758 nan 8.230 nan 0.000 0.453 638 D N 1.371 121.609 120.400 -0.271 0.000 2.278 638 D HA 0.223 4.862 4.640 -0.001 0.000 0.245 638 D C -0.602 175.517 176.300 -0.302 0.000 1.052 638 D CA -0.646 53.108 54.000 -0.411 0.000 0.834 638 D CB 1.835 42.156 40.800 -0.798 0.000 1.194 638 D HN 0.349 nan 8.370 nan 0.000 0.481 639 Q N 1.920 121.555 119.800 -0.275 0.000 2.349 639 Q HA 0.304 4.643 4.340 -0.001 0.000 0.254 639 Q C -0.235 175.652 176.000 -0.188 0.000 0.980 639 Q CA -0.401 55.272 55.803 -0.217 0.000 0.924 639 Q CB 1.212 29.825 28.738 -0.208 0.000 1.209 639 Q HN 0.369 nan 8.270 nan 0.000 0.445 640 R N 2.161 122.561 120.500 -0.166 0.000 2.393 640 R HA 0.518 4.858 4.340 -0.001 0.000 0.315 640 R C -2.899 173.336 176.300 -0.108 0.000 0.952 640 R CA -2.384 53.639 56.100 -0.129 0.000 0.842 640 R CB 0.569 30.797 30.300 -0.120 0.000 1.163 640 R HN 0.232 nan 8.270 nan 0.000 0.450 641 P HA -0.072 nan 4.420 nan 0.000 0.268 641 P C -0.037 177.216 177.300 -0.078 0.000 1.189 641 P CA -0.006 63.048 63.100 -0.077 0.000 0.771 641 P CB 0.513 32.182 31.700 -0.052 0.000 0.822 642 R N 0.418 120.869 120.500 -0.083 0.000 2.526 642 R HA 0.242 4.582 4.340 -0.001 0.000 0.346 642 R C -0.775 175.485 176.300 -0.066 0.000 0.926 642 R CA 0.123 56.174 56.100 -0.081 0.000 1.147 642 R CB 0.325 30.558 30.300 -0.113 0.000 1.629 642 R HN 0.201 nan 8.270 nan 0.000 0.516 643 V N 2.045 121.925 119.914 -0.057 0.000 2.483 643 V HA 0.436 4.556 4.120 -0.001 0.000 0.295 643 V C 0.342 176.418 176.094 -0.030 0.000 1.035 643 V CA -1.045 61.230 62.300 -0.041 0.000 0.896 643 V CB 1.834 33.637 31.823 -0.034 0.000 0.986 643 V HN 0.007 nan 8.190 nan 0.000 0.447 644 V N 3.267 123.166 119.914 -0.024 0.000 3.295 644 V HA 0.590 4.710 4.120 -0.001 0.000 0.308 644 V C 0.318 176.401 176.094 -0.018 0.000 1.068 644 V CA -0.759 61.529 62.300 -0.020 0.000 1.062 644 V CB 1.176 32.989 31.823 -0.017 0.000 1.162 644 V HN 0.560 nan 8.190 nan 0.000 0.456 645 V N 0.927 120.831 119.914 -0.017 0.000 2.673 645 V HA 0.482 4.601 4.120 -0.001 0.000 0.303 645 V C 1.325 177.408 176.094 -0.017 0.000 1.046 645 V CA 0.373 62.662 62.300 -0.019 0.000 1.126 645 V CB -0.536 31.276 31.823 -0.017 0.000 0.934 645 V HN 2.027 nan 8.190 nan 0.000 0.487 646 G N 2.996 111.785 108.800 -0.019 0.000 2.387 646 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.270 646 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.270 646 G C -0.411 174.483 174.900 -0.010 0.000 0.957 646 G CA 0.589 45.679 45.100 -0.016 0.000 1.352 646 G HN 1.039 nan 8.290 nan 0.000 0.457 647 Q N -0.258 119.537 119.800 -0.008 0.000 2.389 647 Q HA 0.516 4.855 4.340 -0.001 0.000 0.277 647 Q C 0.769 176.775 176.000 0.009 0.000 1.082 647 Q CA -1.284 54.518 55.803 -0.002 0.000 0.810 647 Q CB 1.536 30.271 28.738 -0.005 0.000 1.374 647 Q HN 0.760 nan 8.270 nan 0.000 0.422 648 R N 0.482 120.989 120.500 0.012 0.000 2.585 648 R HA 0.296 4.636 4.340 -0.001 0.000 0.275 648 R C -0.449 175.870 176.300 0.030 0.000 1.018 648 R CA -0.262 55.851 56.100 0.022 0.000 1.072 648 R CB -0.058 30.251 30.300 0.016 0.000 0.953 648 R HN 0.244 nan 8.270 nan 0.000 0.419 649 V N -0.032 119.913 119.914 0.051 0.000 2.577 649 V HA 0.491 4.611 4.120 -0.001 0.000 0.303 649 V C -0.155 175.973 176.094 0.058 0.000 1.042 649 V CA -1.385 60.952 62.300 0.062 0.000 0.872 649 V CB 1.676 33.563 31.823 0.107 0.000 0.998 649 V HN 0.788 nan 8.190 nan 0.000 0.423 650 R N 2.385 122.910 120.500 0.042 0.000 2.539 650 R HA 0.330 4.669 4.340 -0.001 0.000 0.275 650 R C 0.073 176.397 176.300 0.040 0.000 1.077 650 R CA -0.671 55.450 56.100 0.034 0.000 1.097 650 R CB 0.955 31.272 30.300 0.028 0.000 1.018 650 R HN 0.879 nan 8.270 nan 0.000 0.483 651 K N 1.311 121.721 120.400 0.017 0.000 2.419 651 K HA 0.010 4.330 4.320 -0.001 0.000 0.282 651 K C 0.424 177.039 176.600 0.025 0.000 1.056 651 K CA 0.963 57.250 56.287 0.000 0.000 1.035 651 K CB 0.021 32.500 32.500 -0.035 0.000 0.921 651 K HN 0.826 nan 8.250 nan 0.000 0.472 652 G N 3.126 111.964 108.800 0.064 0.000 2.165 652 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.226 652 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.226 652 G C -0.572 174.476 174.900 0.248 0.000 1.035 652 G CA 0.047 45.219 45.100 0.121 0.000 0.744 652 G HN 0.762 nan 8.290 nan 0.000 0.501 653 D N 0.205 120.708 120.400 0.172 0.000 2.185 653 D HA 0.469 5.108 4.640 -0.001 0.000 0.247 653 D C 1.358 177.618 176.300 -0.067 0.000 1.027 653 D CA -0.698 53.362 54.000 0.099 0.000 0.861 653 D CB 1.302 42.121 40.800 0.032 0.000 1.202 653 D HN 0.554 nan 8.370 nan 0.000 0.453 654 L N 2.144 123.201 121.223 -0.277 0.000 2.584 654 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 654 L C 0.278 176.975 176.870 -0.287 0.000 1.195 654 L CA -0.204 54.309 54.840 -0.544 0.000 0.920 654 L CB 0.367 42.108 42.059 -0.531 0.000 1.173 654 L HN 0.426 nan 8.230 nan 0.000 0.489 655 L N 4.296 125.357 121.223 -0.271 0.000 2.316 655 L HA 0.478 4.817 4.340 -0.001 0.000 0.207 655 L C 1.091 177.870 176.870 -0.150 0.000 1.070 655 L CA 0.605 55.361 54.840 -0.140 0.000 0.820 655 L CB -0.250 41.774 42.059 -0.059 0.000 0.992 655 L HN 0.867 nan 8.230 nan 0.000 0.466 656 A N -0.970 121.722 122.820 -0.213 0.000 2.498 656 A HA 0.540 4.860 4.320 -0.001 0.000 0.298 656 A C -1.532 175.909 177.584 -0.239 0.000 1.075 656 A CA -0.588 51.334 52.037 -0.191 0.000 0.714 656 A CB 1.534 20.437 19.000 -0.162 0.000 1.299 656 A HN -0.056 nan 8.150 nan 0.000 0.407 657 D N 0.614 120.898 120.400 -0.193 0.000 2.193 657 D HA 0.508 5.148 4.640 -0.001 0.000 0.249 657 D C 0.838 177.042 176.300 -0.160 0.000 1.034 657 D CA 0.513 54.403 54.000 -0.184 0.000 0.902 657 D CB 1.910 42.625 40.800 -0.142 0.000 1.182 657 D HN 0.725 nan 8.370 nan 0.000 0.436 658 G N 1.603 110.322 108.800 -0.136 0.000 2.570 658 G HA2 0.115 4.074 3.960 -0.001 0.000 0.276 658 G HA3 0.115 4.074 3.960 -0.001 0.000 0.276 658 G C -1.598 173.237 174.900 -0.107 0.000 1.346 658 G CA -0.596 44.434 45.100 -0.118 0.000 1.034 658 G HN 0.284 nan 8.290 nan 0.000 0.512 659 P HA -0.066 nan 4.420 nan 0.000 0.215 659 P C 1.162 178.429 177.300 -0.054 0.000 1.157 659 P CA 2.497 65.545 63.100 -0.086 0.000 0.874 659 P CB 0.209 31.866 31.700 -0.072 0.000 0.790 660 A N -1.781 121.019 122.820 -0.033 0.000 2.594 660 A HA 0.334 4.654 4.320 -0.001 0.000 0.287 660 A C 0.306 177.894 177.584 0.007 0.000 1.227 660 A CA -0.109 51.925 52.037 -0.004 0.000 0.952 660 A CB -0.234 18.776 19.000 0.017 0.000 1.161 660 A HN 0.144 nan 8.150 nan 0.000 0.524 661 S N -0.791 114.899 115.700 -0.016 0.000 2.525 661 S HA 0.437 4.907 4.470 -0.001 0.000 0.290 661 S C 0.569 175.161 174.600 -0.013 0.000 1.152 661 S CA -0.476 57.724 58.200 0.000 0.000 1.072 661 S CB 2.167 65.352 63.200 -0.026 0.000 1.027 661 S HN 0.416 nan 8.310 nan 0.000 0.500 662 E N 1.811 122.029 120.200 0.031 0.000 2.042 662 E HA 0.009 4.359 4.350 -0.001 0.000 0.189 662 E C 0.045 176.629 176.600 -0.027 0.000 0.974 662 E CA 0.525 56.941 56.400 0.026 0.000 0.806 662 E CB 0.130 29.893 29.700 0.105 0.000 0.769 662 E HN 0.787 nan 8.360 nan 0.000 0.451 663 N N -1.590 117.072 118.700 -0.064 0.000 2.751 663 N HA 0.142 4.881 4.740 -0.001 0.000 0.238 663 N C -0.394 174.804 175.510 -0.521 0.000 1.351 663 N CA 0.279 53.189 53.050 -0.233 0.000 0.751 663 N CB 1.171 39.550 38.487 -0.179 0.000 1.342 663 N HN 0.317 nan 8.380 nan 0.000 0.540 664 G N 1.132 109.723 108.800 -0.349 0.000 2.270 664 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.268 664 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.268 664 G C -0.005 174.765 174.900 -0.216 0.000 0.982 664 G CA 0.531 45.446 45.100 -0.307 0.000 0.628 664 G HN 0.482 nan 8.290 nan 0.000 0.544 665 F N 0.063 120.021 119.950 0.013 0.000 2.385 665 F HA 0.617 5.144 4.527 -0.000 0.000 0.336 665 F C 0.712 176.511 175.800 -0.000 0.000 1.100 665 F CA -1.332 56.670 58.000 0.004 0.000 1.116 665 F CB 1.182 40.177 39.000 -0.008 0.000 1.166 665 F HN 0.087 nan 8.300 nan 0.000 0.511 666 L N 3.409 124.749 121.223 0.195 0.000 2.455 666 L HA 0.493 4.832 4.340 -0.001 0.000 0.272 666 L C -0.320 176.615 176.870 0.109 0.000 1.174 666 L CA 0.106 55.008 54.840 0.104 0.000 0.869 666 L CB -0.039 42.053 42.059 0.054 0.000 1.130 666 L HN 0.660 nan 8.230 nan 0.000 0.474 667 A N 6.188 129.075 122.820 0.111 0.000 2.402 667 A HA 0.753 5.072 4.320 -0.001 0.000 0.291 667 A C -1.774 175.904 177.584 0.156 0.000 1.051 667 A CA -0.532 51.599 52.037 0.157 0.000 0.716 667 A CB 0.986 20.069 19.000 0.138 0.000 1.223 667 A HN 0.600 nan 8.150 nan 0.000 0.425 668 L N 1.564 122.941 121.223 0.258 0.000 2.504 668 L HA 0.841 5.181 4.340 -0.001 0.000 0.265 668 L C 0.439 177.390 176.870 0.135 0.000 0.975 668 L CA 0.413 55.363 54.840 0.183 0.000 0.864 668 L CB 1.014 43.171 42.059 0.163 0.000 1.212 668 L HN 1.908 nan 8.230 nan 0.000 0.416 669 G N 2.095 110.907 108.800 0.021 0.000 2.655 669 G HA2 0.019 3.978 3.960 -0.001 0.000 0.680 669 G HA3 0.019 3.978 3.960 -0.001 0.000 0.680 669 G C -1.284 173.496 174.900 -0.200 0.000 1.302 669 G CA -0.843 44.201 45.100 -0.093 0.000 0.872 669 G HN 0.623 nan 8.290 nan 0.000 0.540 670 Q N -0.349 119.354 119.800 -0.162 0.000 2.359 670 Q HA 0.343 4.683 4.340 -0.001 0.000 0.274 670 Q C -0.202 175.784 176.000 -0.023 0.000 1.074 670 Q CA -0.913 54.790 55.803 -0.166 0.000 0.810 670 Q CB 1.934 30.436 28.738 -0.393 0.000 1.342 670 Q HN 0.687 nan 8.270 nan 0.000 0.427 671 N N 1.165 119.946 118.700 0.136 0.000 2.447 671 N HA 0.182 4.921 4.740 -0.001 0.000 0.263 671 N C -0.757 174.886 175.510 0.221 0.000 1.226 671 N CA -0.037 53.149 53.050 0.226 0.000 0.906 671 N CB 0.934 39.585 38.487 0.273 0.000 1.060 671 N HN 0.239 nan 8.380 nan 0.000 0.468 672 V N 2.903 122.915 119.914 0.163 0.000 2.760 672 V HA 0.373 4.492 4.120 -0.001 0.000 0.309 672 V C -0.439 175.681 176.094 0.044 0.000 1.077 672 V CA -1.089 61.268 62.300 0.095 0.000 0.910 672 V CB 1.855 33.724 31.823 0.076 0.000 1.008 672 V HN 0.578 nan 8.190 nan 0.000 0.424 673 L N 5.931 127.141 121.223 -0.022 0.000 2.513 673 L HA 0.555 4.894 4.340 -0.001 0.000 0.272 673 L C -0.278 176.557 176.870 -0.058 0.000 1.187 673 L CA 0.565 55.347 54.840 -0.096 0.000 0.895 673 L CB 1.140 43.060 42.059 -0.232 0.000 1.147 673 L HN 0.863 nan 8.230 nan 0.000 0.483 674 V N 5.809 125.697 119.914 -0.042 0.000 2.638 674 V HA 0.822 4.942 4.120 -0.001 0.000 0.306 674 V C -0.211 175.868 176.094 -0.025 0.000 1.052 674 V CA -0.111 62.177 62.300 -0.020 0.000 0.885 674 V CB 1.770 33.595 31.823 0.004 0.000 0.999 674 V HN 0.936 nan 8.190 nan 0.000 0.424 675 A N 6.068 128.885 122.820 -0.006 0.000 2.331 675 A HA 0.742 5.062 4.320 -0.001 0.000 0.283 675 A C -0.195 177.399 177.584 0.017 0.000 1.142 675 A CA -0.409 51.631 52.037 0.006 0.000 0.812 675 A CB 0.700 19.724 19.000 0.040 0.000 1.074 675 A HN 1.166 nan 8.150 nan 0.000 0.497 676 I N 3.567 124.138 120.570 0.001 0.000 2.448 676 I HA 0.347 4.517 4.170 -0.001 0.000 0.284 676 I C -0.118 176.013 176.117 0.025 0.000 1.135 676 I CA -0.027 61.276 61.300 0.005 0.000 1.207 676 I CB -0.569 37.409 38.000 -0.036 0.000 1.548 676 I HN 0.804 nan 8.210 nan 0.000 0.543 677 M N 3.799 123.438 119.600 0.065 0.000 2.846 677 M HA 0.762 5.242 4.480 -0.001 0.000 0.282 677 M C -2.906 173.467 176.300 0.121 0.000 1.266 677 M CA -2.013 53.332 55.300 0.074 0.000 0.766 677 M CB 1.257 33.899 32.600 0.069 0.000 1.739 677 M HN -0.208 nan 8.290 nan 0.000 0.442 678 P HA 0.453 nan 4.420 nan 0.000 0.296 678 P C -1.600 175.799 177.300 0.165 0.000 1.306 678 P CA -0.077 63.100 63.100 0.130 0.000 0.818 678 P CB 0.633 32.375 31.700 0.070 0.000 0.969 679 F N 1.424 121.432 119.950 0.097 0.000 2.456 679 F HA 0.231 4.763 4.527 0.007 0.000 0.364 679 F C 1.995 177.879 175.800 0.139 0.000 1.092 679 F CA -0.050 58.029 58.000 0.133 0.000 1.125 679 F CB 0.512 39.623 39.000 0.185 0.000 1.543 679 F HN 0.307 nan 8.300 nan 0.000 0.504 680 D N 0.160 120.786 120.400 0.376 0.000 2.327 680 D HA -0.159 4.481 4.640 -0.001 0.000 0.205 680 D C 1.324 177.631 176.300 0.012 0.000 1.036 680 D CA 2.294 56.392 54.000 0.163 0.000 0.897 680 D CB -0.368 40.589 40.800 0.262 0.000 1.117 680 D HN 0.614 nan 8.370 nan 0.000 0.471 681 G N -2.422 106.269 108.800 -0.182 0.000 4.162 681 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.252 681 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.252 681 G C 0.561 175.398 174.900 -0.106 0.000 1.064 681 G CA -0.196 44.804 45.100 -0.166 0.000 0.850 681 G HN 0.189 nan 8.290 nan 0.000 0.454 682 Y N 2.124 122.524 120.300 0.167 0.000 2.384 682 Y HA -0.049 4.500 4.550 -0.002 0.000 0.289 682 Y C 1.066 177.040 175.900 0.124 0.000 1.152 682 Y CA 1.183 59.360 58.100 0.127 0.000 1.258 682 Y CB 0.107 38.628 38.460 0.102 0.000 0.979 682 Y HN 0.372 nan 8.280 nan 0.000 0.549 683 N N -1.163 117.690 118.700 0.256 0.000 2.790 683 N HA 0.086 4.826 4.740 -0.001 0.000 0.256 683 N C -0.198 175.429 175.510 0.194 0.000 1.409 683 N CA -0.508 52.653 53.050 0.184 0.000 0.799 683 N CB -0.521 38.058 38.487 0.153 0.000 1.170 683 N HN 0.127 nan 8.380 nan 0.000 0.507 684 F N 1.063 121.029 119.950 0.027 0.000 2.289 684 F HA 0.422 4.948 4.527 -0.002 0.000 0.280 684 F C 1.595 177.401 175.800 0.010 0.000 1.045 684 F CA 1.030 59.035 58.000 0.007 0.000 1.236 684 F CB 0.239 39.226 39.000 -0.022 0.000 1.116 684 F HN 0.273 nan 8.300 nan 0.000 0.550 685 E N -1.021 118.643 120.200 -0.894 0.000 2.132 685 E HA 0.005 4.355 4.350 -0.001 0.000 0.193 685 E C -0.242 176.186 176.600 -0.286 0.000 0.951 685 E CA 0.723 56.692 56.400 -0.717 0.000 0.843 685 E CB 0.402 29.649 29.700 -0.755 0.000 0.807 685 E HN 0.330 nan 8.360 nan 0.000 0.467 686 D N -0.260 120.032 120.400 -0.181 0.000 3.220 686 D HA 0.247 4.887 4.640 -0.001 0.000 0.309 686 D C -1.333 174.950 176.300 -0.028 0.000 1.276 686 D CA 0.028 53.980 54.000 -0.080 0.000 0.736 686 D CB 1.034 41.791 40.800 -0.071 0.000 1.304 686 D HN 0.053 nan 8.370 nan 0.000 0.582 687 A N 0.529 123.353 122.820 0.006 0.000 2.320 687 A HA 0.779 5.099 4.320 -0.001 0.000 0.334 687 A C -0.470 177.145 177.584 0.052 0.000 1.147 687 A CA -0.439 51.627 52.037 0.048 0.000 0.820 687 A CB 1.196 20.259 19.000 0.104 0.000 1.218 687 A HN 0.165 nan 8.150 nan 0.000 0.482 688 I N 1.239 121.834 120.570 0.041 0.000 2.433 688 I HA 0.377 4.547 4.170 -0.001 0.000 0.292 688 I C -0.341 175.787 176.117 0.017 0.000 1.001 688 I CA -0.271 61.043 61.300 0.023 0.000 1.119 688 I CB 2.010 40.007 38.000 -0.005 0.000 1.289 688 I HN 0.334 nan 8.210 nan 0.000 0.438 689 V N 6.789 126.696 119.914 -0.012 0.000 2.439 689 V HA 0.475 4.595 4.120 -0.001 0.000 0.282 689 V C 0.051 176.078 176.094 -0.112 0.000 1.039 689 V CA -0.599 61.647 62.300 -0.091 0.000 0.913 689 V CB 1.486 33.186 31.823 -0.205 0.000 0.983 689 V HN 0.531 nan 8.190 nan 0.000 0.460 690 I N 2.963 123.467 120.570 -0.109 0.000 2.646 690 I HA 0.474 4.644 4.170 -0.001 0.000 0.299 690 I C 0.114 176.171 176.117 -0.100 0.000 1.036 690 I CA -0.308 60.949 61.300 -0.072 0.000 1.074 690 I CB 2.405 40.395 38.000 -0.018 0.000 1.258 690 I HN 0.695 nan 8.210 nan 0.000 0.430 691 S N 4.630 120.282 115.700 -0.080 0.000 2.465 691 S HA 0.098 4.568 4.470 -0.001 0.000 0.279 691 S C 1.051 175.614 174.600 -0.063 0.000 1.201 691 S CA -0.205 57.944 58.200 -0.084 0.000 1.053 691 S CB 0.867 64.019 63.200 -0.079 0.000 0.953 691 S HN 0.809 nan 8.310 nan 0.000 0.488 692 E N 2.989 123.154 120.200 -0.060 0.000 2.208 692 E HA -0.270 4.080 4.350 -0.001 0.000 0.202 692 E C 1.385 177.960 176.600 -0.041 0.000 1.014 692 E CA 1.710 58.085 56.400 -0.041 0.000 0.819 692 E CB -0.062 29.614 29.700 -0.039 0.000 0.735 692 E HN 0.829 nan 8.360 nan 0.000 0.469 693 E N 0.245 120.409 120.200 -0.059 0.000 2.273 693 E HA -0.164 4.185 4.350 -0.001 0.000 0.198 693 E C 1.861 178.392 176.600 -0.116 0.000 1.002 693 E CA 0.770 57.123 56.400 -0.079 0.000 0.828 693 E CB -0.141 29.505 29.700 -0.090 0.000 0.747 693 E HN 0.368 nan 8.360 nan 0.000 0.491 694 L N -0.501 120.653 121.223 -0.115 0.000 2.217 694 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 694 L C 2.172 179.035 176.870 -0.013 0.000 1.107 694 L CA 0.617 55.373 54.840 -0.139 0.000 0.783 694 L CB -0.103 41.920 42.059 -0.060 0.000 0.919 694 L HN 0.241 nan 8.230 nan 0.000 0.442 695 L N -0.971 120.258 121.223 0.011 0.000 2.209 695 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 695 L C 2.545 179.435 176.870 0.033 0.000 1.094 695 L CA 0.644 55.511 54.840 0.044 0.000 0.790 695 L CB -0.188 41.892 42.059 0.036 0.000 0.932 695 L HN 0.191 nan 8.230 nan 0.000 0.447 696 K N 0.684 121.087 120.400 0.004 0.000 1.987 696 K HA -0.159 4.160 4.320 -0.001 0.000 0.216 696 K C 0.711 177.326 176.600 0.026 0.000 1.051 696 K CA 1.135 57.425 56.287 0.005 0.000 0.942 696 K CB -0.373 32.118 32.500 -0.015 0.000 0.722 696 K HN 0.372 nan 8.250 nan 0.000 0.444 697 R N 1.872 122.386 120.500 0.024 0.000 2.738 697 R HA 0.024 4.363 4.340 -0.001 0.000 0.268 697 R C -0.261 176.127 176.300 0.148 0.000 1.062 697 R CA -0.081 56.078 56.100 0.097 0.000 1.158 697 R CB 0.007 30.398 30.300 0.151 0.000 1.046 697 R HN 0.068 nan 8.270 nan 0.000 0.493 698 D N 1.477 121.964 120.400 0.146 0.000 3.032 698 D HA 0.055 4.694 4.640 -0.001 0.000 0.241 698 D C -0.046 176.314 176.300 0.100 0.000 1.196 698 D CA 0.168 54.230 54.000 0.105 0.000 0.927 698 D CB -0.241 40.594 40.800 0.058 0.000 1.129 698 D HN 0.347 nan 8.370 nan 0.000 0.458 699 F N 0.069 119.962 119.950 -0.094 0.000 2.012 699 F HA 0.058 4.585 4.527 0.000 0.000 0.289 699 F C 0.804 176.469 175.800 -0.224 0.000 1.207 699 F CA 0.660 58.526 58.000 -0.223 0.000 1.144 699 F CB -0.404 38.392 39.000 -0.340 0.000 0.992 699 F HN 0.080 nan 8.300 nan 0.000 0.485 700 Y N 1.028 121.448 120.300 0.199 0.000 2.616 700 Y HA 0.277 4.827 4.550 -0.001 0.000 0.350 700 Y C -0.415 175.519 175.900 0.056 0.000 1.119 700 Y CA -0.429 57.715 58.100 0.074 0.000 1.467 700 Y CB -0.490 38.008 38.460 0.064 0.000 1.287 700 Y HN -0.046 nan 8.280 nan 0.000 0.504 701 T N 0.601 115.257 114.554 0.170 0.000 2.952 701 T HA 0.576 4.925 4.350 -0.001 0.000 0.305 701 T C -0.720 174.048 174.700 0.113 0.000 1.064 701 T CA -1.186 60.989 62.100 0.126 0.000 1.008 701 T CB 1.602 70.524 68.868 0.090 0.000 1.078 701 T HN 0.368 nan 8.240 nan 0.000 0.459 702 S N 1.385 117.158 115.700 0.122 0.000 2.548 702 S HA 0.740 5.210 4.470 -0.001 0.000 0.276 702 S C -1.019 173.674 174.600 0.156 0.000 1.129 702 S CA -0.884 57.395 58.200 0.132 0.000 0.931 702 S CB 0.995 64.280 63.200 0.142 0.000 1.068 702 S HN 0.526 nan 8.310 nan 0.000 0.480 703 I N 2.757 123.425 120.570 0.163 0.000 2.365 703 I HA 0.454 4.623 4.170 -0.001 0.000 0.291 703 I C 0.165 176.410 176.117 0.214 0.000 1.004 703 I CA 0.208 61.618 61.300 0.183 0.000 1.311 703 I CB 0.853 38.974 38.000 0.202 0.000 1.401 703 I HN 0.866 nan 8.210 nan 0.000 0.491 704 H N 5.706 124.852 119.070 0.127 0.000 2.670 704 H HA 0.788 5.343 4.556 -0.001 0.000 0.361 704 H C -1.130 174.280 175.328 0.137 0.000 1.169 704 H CA -0.606 55.524 56.048 0.138 0.000 1.198 704 H CB 1.530 31.366 29.762 0.124 0.000 1.700 704 H HN 0.421 nan 8.280 nan 0.000 0.542 705 I N 2.285 122.924 120.570 0.115 0.000 2.610 705 I HA 0.219 4.389 4.170 -0.001 0.000 0.289 705 I C -1.186 175.050 176.117 0.200 0.000 1.163 705 I CA -0.347 61.066 61.300 0.189 0.000 1.044 705 I CB 2.162 40.261 38.000 0.165 0.000 1.251 705 I HN 0.560 nan 8.210 nan 0.000 0.424 706 E N 5.169 125.500 120.200 0.219 0.000 2.292 706 E HA 0.374 4.724 4.350 -0.001 0.000 0.272 706 E C -1.145 175.410 176.600 -0.076 0.000 0.881 706 E CA -0.929 55.499 56.400 0.046 0.000 0.754 706 E CB 2.580 32.247 29.700 -0.055 0.000 1.201 706 E HN 0.459 nan 8.360 nan 0.000 0.425 707 R N 4.172 124.493 120.500 -0.299 0.000 2.196 707 R HA 0.214 4.553 4.340 -0.001 0.000 0.340 707 R C -1.396 174.664 176.300 -0.401 0.000 1.043 707 R CA -0.232 55.581 56.100 -0.477 0.000 0.883 707 R CB 0.254 30.058 30.300 -0.827 0.000 1.078 707 R HN 0.380 nan 8.270 nan 0.000 0.462 708 Y N 2.340 122.512 120.300 -0.213 0.000 2.320 708 Y HA 0.300 4.849 4.550 -0.001 0.000 0.334 708 Y C 0.373 176.189 175.900 -0.139 0.000 1.055 708 Y CA -0.560 57.459 58.100 -0.135 0.000 1.143 708 Y CB 1.308 39.713 38.460 -0.091 0.000 1.193 708 Y HN 0.570 nan 8.280 nan 0.000 0.477 709 E N 3.250 123.458 120.200 0.013 0.000 2.299 709 E HA 0.753 5.103 4.350 -0.001 0.000 0.265 709 E C -1.646 174.956 176.600 0.004 0.000 0.911 709 E CA -1.005 55.385 56.400 -0.016 0.000 0.789 709 E CB 2.513 32.182 29.700 -0.051 0.000 1.246 709 E HN 0.713 nan 8.360 nan 0.000 0.427 710 I N 1.440 122.009 120.570 -0.002 0.000 2.743 710 I HA 0.267 4.437 4.170 -0.001 0.000 0.292 710 I C -1.688 174.427 176.117 -0.004 0.000 1.343 710 I CA -0.363 60.935 61.300 -0.002 0.000 1.038 710 I CB 1.802 39.801 38.000 -0.001 0.000 1.311 710 I HN 0.579 nan 8.210 nan 0.000 0.426 711 E N 5.395 125.593 120.200 -0.004 0.000 2.195 711 E HA 0.604 4.954 4.350 -0.001 0.000 0.271 711 E C -0.672 175.927 176.600 -0.000 0.000 0.923 711 E CA -1.004 55.395 56.400 -0.002 0.000 0.790 711 E CB 2.123 31.822 29.700 -0.001 0.000 1.155 711 E HN 0.629 nan 8.360 nan 0.000 0.402 712 A N 3.672 126.493 122.820 0.002 0.000 2.415 712 A HA 0.246 4.565 4.320 -0.001 0.000 0.309 712 A C 0.002 177.593 177.584 0.012 0.000 1.356 712 A CA -0.125 51.915 52.037 0.005 0.000 0.998 712 A CB -0.042 18.961 19.000 0.006 0.000 1.145 712 A HN 0.517 nan 8.150 nan 0.000 0.545 713 R N 1.385 121.895 120.500 0.016 0.000 2.536 713 R HA 0.254 4.594 4.340 -0.001 0.000 0.279 713 R C -0.652 175.668 176.300 0.034 0.000 1.001 713 R CA -0.616 55.497 56.100 0.021 0.000 1.027 713 R CB 1.131 31.442 30.300 0.019 0.000 1.096 713 R HN 0.762 nan 8.270 nan 0.000 0.502 714 D N 1.761 122.180 120.400 0.031 0.000 2.441 714 D HA 0.091 4.731 4.640 -0.001 0.000 0.221 714 D C -0.909 175.414 176.300 0.038 0.000 1.156 714 D CA 0.057 54.079 54.000 0.037 0.000 0.896 714 D CB 0.804 41.620 40.800 0.026 0.000 1.028 714 D HN 0.375 nan 8.370 nan 0.000 0.509 715 T N 2.926 117.515 114.554 0.058 0.000 2.928 715 T HA 0.191 4.540 4.350 -0.001 0.000 0.284 715 T C 1.452 176.172 174.700 0.034 0.000 1.008 715 T CA -0.660 61.471 62.100 0.053 0.000 1.057 715 T CB 1.785 70.703 68.868 0.084 0.000 1.018 715 T HN 0.237 nan 8.240 nan 0.000 0.493 716 K N 0.990 121.399 120.400 0.015 0.000 2.555 716 K HA 0.124 4.444 4.320 -0.001 0.000 0.193 716 K C 1.238 177.816 176.600 -0.037 0.000 1.032 716 K CA 0.579 56.861 56.287 -0.010 0.000 1.004 716 K CB -0.165 32.329 32.500 -0.010 0.000 0.804 716 K HN 0.472 nan 8.250 nan 0.000 0.496 717 L N -0.378 120.833 121.223 -0.019 0.000 2.585 717 L HA 0.206 4.546 4.340 -0.001 0.000 0.226 717 L C 0.621 177.349 176.870 -0.238 0.000 1.113 717 L CA -0.280 54.513 54.840 -0.078 0.000 0.876 717 L CB 0.154 42.235 42.059 0.036 0.000 1.072 717 L HN 0.152 nan 8.230 nan 0.000 0.468 718 G N 0.282 109.040 108.800 -0.071 0.000 2.634 718 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.568 718 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.568 718 G C -3.095 171.986 174.900 0.301 0.000 1.495 718 G CA -1.220 43.868 45.100 -0.020 0.000 0.903 718 G HN -0.259 nan 8.290 nan 0.000 0.646 719 P HA 0.130 nan 4.420 nan 0.000 0.264 719 P C 0.101 177.502 177.300 0.167 0.000 1.179 719 P CA 0.492 63.685 63.100 0.154 0.000 0.763 719 P CB 0.423 32.184 31.700 0.102 0.000 0.806 720 E N 3.754 124.005 120.200 0.086 0.000 1.858 720 E HA 0.040 4.389 4.350 -0.001 0.000 0.267 720 E C 0.022 176.622 176.600 0.000 0.000 1.215 720 E CA -0.145 56.269 56.400 0.023 0.000 0.952 720 E CB 0.090 29.797 29.700 0.012 0.000 1.058 720 E HN 0.275 nan 8.360 nan 0.000 0.407 721 R N 2.279 122.765 120.500 -0.023 0.000 2.590 721 R HA 0.233 4.572 4.340 -0.001 0.000 0.274 721 R C 0.366 176.645 176.300 -0.036 0.000 1.061 721 R CA -0.059 56.028 56.100 -0.022 0.000 1.081 721 R CB 0.679 30.959 30.300 -0.034 0.000 0.984 721 R HN 0.498 nan 8.270 nan 0.000 0.448 722 I N 2.165 122.722 120.570 -0.022 0.000 2.371 722 I HA 0.188 4.358 4.170 -0.001 0.000 0.282 722 I C -0.806 175.297 176.117 -0.024 0.000 1.031 722 I CA 0.117 61.402 61.300 -0.024 0.000 1.180 722 I CB 1.066 39.058 38.000 -0.014 0.000 1.336 722 I HN 0.633 nan 8.210 nan 0.000 0.467 723 T N 4.705 119.239 114.554 -0.034 0.000 2.865 723 T HA 0.320 4.669 4.350 -0.001 0.000 0.294 723 T C 0.811 175.491 174.700 -0.033 0.000 1.119 723 T CA -0.667 61.415 62.100 -0.031 0.000 1.007 723 T CB 2.011 70.858 68.868 -0.036 0.000 1.225 723 T HN 0.703 nan 8.240 nan 0.000 0.515 724 R N 0.562 121.044 120.500 -0.029 0.000 2.285 724 R HA 0.012 4.352 4.340 -0.001 0.000 0.213 724 R C -0.058 176.221 176.300 -0.034 0.000 1.068 724 R CA 0.496 56.579 56.100 -0.028 0.000 1.004 724 R CB -0.047 30.240 30.300 -0.023 0.000 0.873 724 R HN 0.566 nan 8.270 nan 0.000 0.467 725 D N 0.773 121.148 120.400 -0.042 0.000 2.339 725 D HA 0.028 4.667 4.640 -0.001 0.000 0.256 725 D C -0.765 175.497 176.300 -0.062 0.000 1.214 725 D CA 0.217 54.186 54.000 -0.052 0.000 0.877 725 D CB 0.770 41.533 40.800 -0.060 0.000 1.111 725 D HN 0.022 nan 8.370 nan 0.000 0.478 726 I N 6.379 126.915 120.570 -0.056 0.000 2.620 726 I HA 0.153 4.323 4.170 -0.001 0.000 0.280 726 I C -1.440 174.636 176.117 -0.068 0.000 1.143 726 I CA -1.994 59.273 61.300 -0.054 0.000 1.163 726 I CB 1.260 39.241 38.000 -0.031 0.000 1.461 726 I HN 0.182 nan 8.210 nan 0.000 0.530 727 P HA -0.286 nan 4.420 nan 0.000 0.232 727 P C 1.267 178.418 177.300 -0.247 0.000 1.135 727 P CA 1.881 64.833 63.100 -0.246 0.000 0.969 727 P CB 0.080 31.566 31.700 -0.357 0.000 0.777 728 H N -3.930 115.129 119.070 -0.018 0.000 2.604 728 H HA 0.303 4.859 4.556 -0.001 0.000 0.273 728 H C 1.821 177.148 175.328 -0.001 0.000 0.971 728 H CA 0.680 56.723 56.048 -0.008 0.000 1.249 728 H CB 0.398 30.153 29.762 -0.011 0.000 1.449 728 H HN 0.126 nan 8.280 nan 0.000 0.512 729 L N -0.883 120.398 121.223 0.096 0.000 2.658 729 L HA 0.119 4.459 4.340 -0.001 0.000 0.222 729 L C -0.028 176.865 176.870 0.038 0.000 1.033 729 L CA 0.313 55.194 54.840 0.069 0.000 0.949 729 L CB 0.734 42.826 42.059 0.055 0.000 1.698 729 L HN 0.051 nan 8.230 nan 0.000 0.498 730 S N -2.109 113.604 115.700 0.023 0.000 2.564 730 S HA 0.395 4.864 4.470 -0.001 0.000 0.274 730 S C 0.084 174.686 174.600 0.003 0.000 1.124 730 S CA -0.578 57.630 58.200 0.013 0.000 0.869 730 S CB 1.972 65.179 63.200 0.012 0.000 1.105 730 S HN 0.042 nan 8.310 nan 0.000 0.472 731 E N 1.187 121.388 120.200 0.001 0.000 2.371 731 E HA 0.231 4.581 4.350 -0.001 0.000 0.194 731 E C 1.988 178.584 176.600 -0.006 0.000 1.012 731 E CA 1.037 57.434 56.400 -0.005 0.000 0.860 731 E CB -0.370 29.327 29.700 -0.004 0.000 0.811 731 E HN 0.792 nan 8.360 nan 0.000 0.502 732 A N 0.583 123.400 122.820 -0.004 0.000 1.978 732 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 732 A C 2.279 179.857 177.584 -0.011 0.000 1.170 732 A CA 1.762 53.795 52.037 -0.006 0.000 0.636 732 A CB -0.603 18.395 19.000 -0.004 0.000 0.810 732 A HN 0.318 nan 8.150 nan 0.000 0.448 733 A N -1.248 121.565 122.820 -0.011 0.000 2.067 733 A HA 0.253 4.573 4.320 -0.001 0.000 0.217 733 A C 1.865 179.437 177.584 -0.020 0.000 1.156 733 A CA 0.981 53.008 52.037 -0.016 0.000 0.683 733 A CB -0.315 18.676 19.000 -0.015 0.000 0.808 733 A HN 0.397 nan 8.150 nan 0.000 0.455 734 L N -0.389 120.824 121.223 -0.017 0.000 2.492 734 L HA 0.005 4.344 4.340 -0.001 0.000 0.223 734 L C 2.371 179.230 176.870 -0.019 0.000 1.132 734 L CA 0.435 55.263 54.840 -0.019 0.000 0.850 734 L CB -0.263 41.786 42.059 -0.017 0.000 0.966 734 L HN 0.317 nan 8.230 nan 0.000 0.454 735 R N 0.165 120.655 120.500 -0.017 0.000 2.171 735 R HA -0.232 4.108 4.340 -0.001 0.000 0.232 735 R C 1.451 177.739 176.300 -0.019 0.000 1.116 735 R CA 2.047 58.137 56.100 -0.017 0.000 0.901 735 R CB -0.929 29.361 30.300 -0.016 0.000 0.850 735 R HN 0.318 nan 8.270 nan 0.000 0.431 736 D N 0.667 121.053 120.400 -0.023 0.000 2.384 736 D HA -0.086 4.554 4.640 -0.001 0.000 0.222 736 D C 1.141 177.426 176.300 -0.026 0.000 0.976 736 D CA 0.655 54.640 54.000 -0.025 0.000 0.915 736 D CB -0.116 40.666 40.800 -0.031 0.000 0.896 736 D HN 0.132 nan 8.370 nan 0.000 0.523 737 L N 0.865 122.073 121.223 -0.025 0.000 2.855 737 L HA -0.005 4.335 4.340 -0.001 0.000 0.245 737 L C 1.138 177.996 176.870 -0.020 0.000 1.276 737 L CA -0.080 54.745 54.840 -0.025 0.000 1.118 737 L CB -0.160 41.883 42.059 -0.026 0.000 1.444 737 L HN -0.209 nan 8.230 nan 0.000 0.440 738 D N 1.189 121.578 120.400 -0.018 0.000 2.564 738 D HA -0.286 4.353 4.640 -0.001 0.000 0.209 738 D C 0.737 177.029 176.300 -0.013 0.000 1.075 738 D CA 1.934 55.925 54.000 -0.015 0.000 0.922 738 D CB -0.031 40.761 40.800 -0.014 0.000 1.186 738 D HN 0.626 nan 8.370 nan 0.000 0.487 739 E N 0.790 120.983 120.200 -0.012 0.000 2.465 739 E HA -0.020 4.330 4.350 -0.001 0.000 0.260 739 E C -0.603 175.990 176.600 -0.011 0.000 0.980 739 E CA -0.019 56.375 56.400 -0.010 0.000 0.927 739 E CB 0.264 29.959 29.700 -0.007 0.000 0.934 739 E HN 0.273 nan 8.360 nan 0.000 0.459 740 E N 2.577 122.771 120.200 -0.011 0.000 2.491 740 E HA 0.083 4.433 4.350 -0.001 0.000 0.250 740 E C 0.684 177.276 176.600 -0.014 0.000 1.061 740 E CA 0.840 57.233 56.400 -0.013 0.000 0.942 740 E CB 0.376 30.069 29.700 -0.012 0.000 0.957 740 E HN 0.879 nan 8.360 nan 0.000 0.480 741 G N 2.201 110.991 108.800 -0.017 0.000 3.178 741 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.200 741 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.200 741 G C 0.253 175.142 174.900 -0.019 0.000 1.831 741 G CA -0.210 44.879 45.100 -0.019 0.000 1.470 741 G HN 0.434 nan 8.290 nan 0.000 0.591 742 V N 1.943 121.848 119.914 -0.015 0.000 3.214 742 V HA 0.638 4.758 4.120 -0.001 0.000 0.306 742 V C 1.178 177.260 176.094 -0.019 0.000 1.078 742 V CA 0.009 62.300 62.300 -0.015 0.000 1.077 742 V CB 1.663 33.483 31.823 -0.006 0.000 1.121 742 V HN 0.939 nan 8.190 nan 0.000 0.468 743 V N 3.033 122.933 119.914 -0.023 0.000 2.607 743 V HA 0.420 4.539 4.120 -0.001 0.000 0.289 743 V C 0.604 176.686 176.094 -0.020 0.000 1.053 743 V CA -0.721 61.562 62.300 -0.028 0.000 0.996 743 V CB 1.334 33.132 31.823 -0.042 0.000 0.995 743 V HN 1.006 nan 8.190 nan 0.000 0.476 744 R N 5.972 126.460 120.500 -0.020 0.000 2.543 744 R HA 0.374 4.713 4.340 -0.001 0.000 0.277 744 R C -0.277 176.013 176.300 -0.017 0.000 1.074 744 R CA -0.411 55.679 56.100 -0.016 0.000 1.076 744 R CB 0.345 30.635 30.300 -0.017 0.000 0.993 744 R HN 0.669 nan 8.270 nan 0.000 0.459 745 I N 2.357 122.919 120.570 -0.013 0.000 2.692 745 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 745 I C 1.247 177.352 176.117 -0.020 0.000 1.159 745 I CA 1.347 62.639 61.300 -0.014 0.000 1.423 745 I CB 0.833 38.825 38.000 -0.012 0.000 1.380 745 I HN 1.106 nan 8.210 nan 0.000 0.580 746 G N 4.259 113.044 108.800 -0.025 0.000 2.143 746 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.248 746 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.248 746 G C 0.185 175.069 174.900 -0.027 0.000 0.991 746 G CA 0.028 45.111 45.100 -0.029 0.000 0.689 746 G HN 0.999 nan 8.290 nan 0.000 0.522 747 A N -0.168 122.636 122.820 -0.028 0.000 2.309 747 A HA 0.701 5.020 4.320 -0.001 0.000 0.298 747 A C 0.370 177.933 177.584 -0.034 0.000 1.165 747 A CA 0.156 52.175 52.037 -0.030 0.000 0.821 747 A CB 0.659 19.640 19.000 -0.032 0.000 1.102 747 A HN 0.590 nan 8.150 nan 0.000 0.500 748 E N 2.107 122.288 120.200 -0.032 0.000 2.003 748 E HA 0.362 4.712 4.350 -0.001 0.000 0.279 748 E C -0.613 175.961 176.600 -0.043 0.000 1.132 748 E CA -0.428 55.952 56.400 -0.033 0.000 0.888 748 E CB 0.242 29.927 29.700 -0.026 0.000 1.056 748 E HN 0.529 nan 8.360 nan 0.000 0.399 749 V N 2.642 122.522 119.914 -0.057 0.000 2.348 749 V HA 0.451 4.571 4.120 -0.001 0.000 0.270 749 V C -0.070 175.978 176.094 -0.076 0.000 1.037 749 V CA -0.806 61.447 62.300 -0.079 0.000 0.872 749 V CB 0.913 32.662 31.823 -0.122 0.000 1.002 749 V HN 0.457 nan 8.190 nan 0.000 0.464 750 K N 4.310 124.672 120.400 -0.063 0.000 2.123 750 K HA 0.515 4.835 4.320 -0.001 0.000 0.248 750 K C -2.703 173.860 176.600 -0.062 0.000 0.969 750 K CA -2.181 54.074 56.287 -0.053 0.000 0.882 750 K CB 1.954 34.433 32.500 -0.035 0.000 1.080 750 K HN 0.395 nan 8.250 nan 0.000 0.441 751 P HA -0.139 nan 4.420 nan 0.000 0.255 751 P C 0.197 177.466 177.300 -0.051 0.000 1.151 751 P CA 1.349 64.417 63.100 -0.052 0.000 0.767 751 P CB 0.024 31.707 31.700 -0.029 0.000 0.736 752 G N 1.758 110.519 108.800 -0.064 0.000 2.134 752 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.209 752 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.209 752 G C -0.337 174.530 174.900 -0.055 0.000 0.993 752 G CA -0.554 44.513 45.100 -0.054 0.000 0.669 752 G HN 0.460 nan 8.290 nan 0.000 0.519 753 D N 0.403 120.760 120.400 -0.071 0.000 2.181 753 D HA 0.499 5.139 4.640 -0.001 0.000 0.248 753 D C 1.073 177.327 176.300 -0.077 0.000 1.020 753 D CA -0.586 53.374 54.000 -0.067 0.000 0.891 753 D CB 1.051 41.809 40.800 -0.071 0.000 1.187 753 D HN 0.093 nan 8.370 nan 0.000 0.443 754 I N 2.609 123.143 120.570 -0.062 0.000 2.581 754 I HA -0.016 4.154 4.170 -0.001 0.000 0.285 754 I C 1.565 177.636 176.117 -0.076 0.000 1.129 754 I CA 0.236 61.499 61.300 -0.062 0.000 1.397 754 I CB -0.131 37.842 38.000 -0.046 0.000 1.399 754 I HN 0.339 nan 8.210 nan 0.000 0.537 755 L N 6.256 127.423 121.223 -0.094 0.000 2.162 755 L HA 0.102 4.442 4.340 -0.001 0.000 0.205 755 L C 0.522 177.353 176.870 -0.065 0.000 1.086 755 L CA 0.959 55.736 54.840 -0.105 0.000 0.778 755 L CB 0.111 42.075 42.059 -0.160 0.000 0.928 755 L HN 0.418 nan 8.230 nan 0.000 0.446 756 V N -1.549 118.335 119.914 -0.051 0.000 3.147 756 V HA 0.667 4.787 4.120 -0.001 0.000 0.306 756 V C -0.377 175.696 176.094 -0.035 0.000 1.209 756 V CA -0.727 61.552 62.300 -0.035 0.000 1.023 756 V CB 1.944 33.752 31.823 -0.024 0.000 1.059 756 V HN 0.056 nan 8.190 nan 0.000 0.435 757 G N 1.838 110.619 108.800 -0.032 0.000 2.495 757 G HA2 0.814 4.774 3.960 -0.001 0.000 0.318 757 G HA3 0.814 4.774 3.960 -0.001 0.000 0.318 757 G C -1.086 173.792 174.900 -0.037 0.000 1.257 757 G CA -0.612 44.467 45.100 -0.036 0.000 0.962 757 G HN 0.840 nan 8.290 nan 0.000 0.483 758 R N -0.363 120.110 120.500 -0.044 0.000 2.831 758 R HA 0.824 5.163 4.340 -0.001 0.000 0.266 758 R C -1.492 174.763 176.300 -0.075 0.000 1.051 758 R CA -0.649 55.421 56.100 -0.050 0.000 0.943 758 R CB 1.988 32.267 30.300 -0.035 0.000 1.228 758 R HN 0.683 nan 8.270 nan 0.000 0.467 759 T N -0.551 113.943 114.554 -0.100 0.000 3.071 759 T HA 0.479 4.828 4.350 -0.001 0.000 0.311 759 T C -0.882 173.684 174.700 -0.223 0.000 1.042 759 T CA -0.789 61.208 62.100 -0.171 0.000 1.028 759 T CB 1.468 70.204 68.868 -0.219 0.000 1.068 759 T HN 0.623 nan 8.240 nan 0.000 0.451 760 S N 1.835 117.401 115.700 -0.223 0.000 2.677 760 S HA 0.871 5.341 4.470 -0.001 0.000 0.304 760 S C -0.953 173.480 174.600 -0.278 0.000 1.108 760 S CA -1.010 57.087 58.200 -0.172 0.000 0.944 760 S CB 0.824 64.011 63.200 -0.021 0.000 1.127 760 S HN 0.593 nan 8.310 nan 0.000 0.511 761 F N 0.932 120.884 119.950 0.004 0.000 2.432 761 F HA 0.648 5.175 4.527 -0.000 0.000 0.329 761 F C 0.691 176.498 175.800 0.011 0.000 1.076 761 F CA -0.646 57.358 58.000 0.007 0.000 1.018 761 F CB 1.132 40.135 39.000 0.004 0.000 1.201 761 F HN 0.351 nan 8.300 nan 0.000 0.489 762 K N 0.489 121.001 120.400 0.187 0.000 2.443 762 K HA 0.633 4.953 4.320 -0.001 0.000 0.251 762 K C -0.145 176.512 176.600 0.095 0.000 0.972 762 K CA -0.352 56.002 56.287 0.112 0.000 0.833 762 K CB 2.086 34.630 32.500 0.072 0.000 1.317 762 K HN 0.841 nan 8.250 nan 0.000 0.441 763 G N 1.867 110.706 108.800 0.066 0.000 2.939 763 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.278 763 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.278 763 G C -0.225 174.703 174.900 0.047 0.000 1.487 763 G CA -0.224 44.905 45.100 0.048 0.000 0.935 763 G HN 0.658 nan 8.290 nan 0.000 0.553 764 E N -0.253 119.965 120.200 0.030 0.000 3.218 764 E HA 0.333 4.683 4.350 -0.001 0.000 0.265 764 E C 2.338 178.953 176.600 0.025 0.000 1.393 764 E CA 0.056 56.469 56.400 0.022 0.000 1.160 764 E CB 0.171 29.875 29.700 0.007 0.000 1.272 764 E HN 0.689 nan 8.360 nan 0.000 0.720 765 S N 0.321 116.027 115.700 0.010 0.000 2.414 765 S HA -0.271 4.198 4.470 -0.001 0.000 0.241 765 S C 0.556 175.173 174.600 0.028 0.000 1.079 765 S CA 1.566 59.774 58.200 0.015 0.000 1.087 765 S CB -0.429 62.772 63.200 0.000 0.000 0.927 765 S HN 0.406 nan 8.310 nan 0.000 0.456 766 E N 2.075 122.289 120.200 0.024 0.000 2.103 766 E HA 0.315 4.665 4.350 -0.001 0.000 0.254 766 E C -1.974 174.643 176.600 0.028 0.000 0.940 766 E CA -1.819 54.597 56.400 0.026 0.000 0.771 766 E CB 1.124 30.835 29.700 0.018 0.000 1.153 766 E HN 0.261 nan 8.360 nan 0.000 0.428 767 P HA -0.107 nan 4.420 nan 0.000 0.199 767 P C -0.057 177.259 177.300 0.027 0.000 1.118 767 P CA 0.861 63.983 63.100 0.036 0.000 0.913 767 P CB 0.285 32.014 31.700 0.048 0.000 0.738 768 T N 0.006 114.575 114.554 0.026 0.000 2.772 768 T HA 0.272 4.622 4.350 -0.001 0.000 0.288 768 T C -2.130 172.580 174.700 0.017 0.000 0.994 768 T CA -1.105 61.006 62.100 0.018 0.000 0.951 768 T CB 1.427 70.303 68.868 0.013 0.000 0.933 768 T HN -0.061 nan 8.240 nan 0.000 0.447 769 P HA -0.063 nan 4.420 nan 0.000 0.217 769 P C 1.401 178.709 177.300 0.012 0.000 1.150 769 P CA 0.974 64.082 63.100 0.013 0.000 0.832 769 P CB 0.381 32.087 31.700 0.011 0.000 0.787 770 E N -0.600 119.606 120.200 0.009 0.000 2.076 770 E HA -0.161 4.189 4.350 -0.001 0.000 0.190 770 E C 1.978 178.582 176.600 0.006 0.000 0.979 770 E CA 0.757 57.160 56.400 0.006 0.000 0.807 770 E CB -0.276 29.425 29.700 0.002 0.000 0.761 770 E HN 0.386 nan 8.360 nan 0.000 0.454 771 E N 1.121 121.324 120.200 0.005 0.000 2.274 771 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 771 E C 2.109 178.719 176.600 0.018 0.000 0.996 771 E CA 0.248 56.650 56.400 0.003 0.000 0.840 771 E CB 0.157 29.855 29.700 -0.003 0.000 0.772 771 E HN 0.007 nan 8.360 nan 0.000 0.491 772 R N 0.158 120.672 120.500 0.023 0.000 2.115 772 R HA -0.127 4.213 4.340 -0.001 0.000 0.230 772 R C 2.417 178.737 176.300 0.034 0.000 1.111 772 R CA 0.909 57.028 56.100 0.032 0.000 0.976 772 R CB -0.138 30.179 30.300 0.029 0.000 0.870 772 R HN 0.211 nan 8.270 nan 0.000 0.445 773 L N 0.894 122.134 121.223 0.027 0.000 1.994 773 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 773 L C 2.026 178.920 176.870 0.040 0.000 1.071 773 L CA 1.695 56.553 54.840 0.030 0.000 0.745 773 L CB -0.806 41.267 42.059 0.022 0.000 0.892 773 L HN 0.271 nan 8.230 nan 0.000 0.431 774 L N 0.442 121.685 121.223 0.033 0.000 2.042 774 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 774 L C 2.790 179.707 176.870 0.078 0.000 1.076 774 L CA 2.440 57.304 54.840 0.040 0.000 0.749 774 L CB -0.882 41.176 42.059 -0.002 0.000 0.893 774 L HN 0.568 nan 8.230 nan 0.000 0.432 775 R N -0.808 119.733 120.500 0.068 0.000 2.081 775 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 775 R C 2.053 178.409 176.300 0.093 0.000 1.131 775 R CA 1.750 57.905 56.100 0.091 0.000 0.960 775 R CB -0.704 29.641 30.300 0.075 0.000 0.856 775 R HN 0.443 nan 8.270 nan 0.000 0.436 776 S N 1.018 116.760 115.700 0.070 0.000 2.382 776 S HA -0.071 4.399 4.470 -0.001 0.000 0.228 776 S C 1.910 176.548 174.600 0.064 0.000 1.027 776 S CA 1.380 59.614 58.200 0.057 0.000 0.991 776 S CB -0.215 63.010 63.200 0.042 0.000 0.823 776 S HN 0.276 nan 8.310 nan 0.000 0.469 777 I N 0.112 120.733 120.570 0.085 0.000 2.055 777 I HA -0.196 3.973 4.170 -0.001 0.000 0.228 777 I C 2.040 178.236 176.117 0.131 0.000 1.050 777 I CA 1.569 62.930 61.300 0.102 0.000 1.326 777 I CB -0.464 37.610 38.000 0.123 0.000 1.077 777 I HN 0.197 nan 8.210 nan 0.000 0.392 778 F N 0.935 120.890 119.950 0.009 0.000 2.216 778 F HA 0.061 4.588 4.527 -0.001 0.000 0.300 778 F C 1.006 176.813 175.800 0.012 0.000 1.085 778 F CA 1.293 59.298 58.000 0.009 0.000 1.326 778 F CB 0.099 39.104 39.000 0.008 0.000 1.027 778 F HN 0.158 nan 8.300 nan 0.000 0.497 779 G N 0.587 109.474 108.800 0.145 0.000 1.873 779 G HA2 0.141 4.101 3.960 -0.001 0.000 0.199 779 G HA3 0.141 4.101 3.960 -0.001 0.000 0.199 779 G C -1.294 173.665 174.900 0.098 0.000 1.821 779 G CA -0.691 44.446 45.100 0.062 0.000 0.955 779 G HN 0.260 nan 8.290 nan 0.000 0.616 780 E N 1.630 121.868 120.200 0.063 0.000 1.939 780 E HA 0.267 4.617 4.350 -0.001 0.000 0.259 780 E C -0.042 176.590 176.600 0.054 0.000 1.259 780 E CA 0.081 56.518 56.400 0.060 0.000 0.971 780 E CB 0.552 30.277 29.700 0.041 0.000 1.055 780 E HN 0.296 nan 8.360 nan 0.000 0.420 781 K N 2.750 123.193 120.400 0.071 0.000 2.499 781 K HA 0.341 4.661 4.320 -0.001 0.000 0.215 781 K C -0.949 175.678 176.600 0.044 0.000 1.041 781 K CA -0.625 55.693 56.287 0.052 0.000 1.031 781 K CB 1.396 33.933 32.500 0.061 0.000 1.479 781 K HN 0.539 nan 8.250 nan 0.000 0.518 782 A N 3.044 125.885 122.820 0.034 0.000 2.294 782 A HA 0.331 4.650 4.320 -0.001 0.000 0.316 782 A C -0.203 177.387 177.584 0.010 0.000 1.359 782 A CA -0.461 51.595 52.037 0.033 0.000 0.956 782 A CB 0.118 19.143 19.000 0.043 0.000 1.155 782 A HN 0.683 nan 8.150 nan 0.000 0.544 783 R N 2.884 123.372 120.500 -0.021 0.000 2.576 783 R HA 0.215 4.554 4.340 -0.001 0.000 0.283 783 R C -0.899 175.367 176.300 -0.057 0.000 1.493 783 R CA -0.483 55.589 56.100 -0.047 0.000 1.170 783 R CB 0.577 30.815 30.300 -0.102 0.000 1.189 783 R HN 0.689 nan 8.270 nan 0.000 0.542 784 D N 1.350 121.762 120.400 0.020 0.000 2.309 784 D HA -0.094 4.545 4.640 -0.001 0.000 0.212 784 D C 0.871 177.161 176.300 -0.016 0.000 0.968 784 D CA 0.641 54.678 54.000 0.063 0.000 0.882 784 D CB 0.253 41.153 40.800 0.167 0.000 0.918 784 D HN 0.167 nan 8.370 nan 0.000 0.503 785 V N 0.744 120.545 119.914 -0.189 0.000 2.872 785 V HA -0.058 4.062 4.120 -0.001 0.000 0.307 785 V C 0.619 176.592 176.094 -0.202 0.000 1.072 785 V CA 0.038 62.103 62.300 -0.392 0.000 1.148 785 V CB 1.090 32.582 31.823 -0.551 0.000 0.954 785 V HN -0.096 nan 8.190 nan 0.000 0.490 786 K N 2.954 123.250 120.400 -0.173 0.000 2.110 786 K HA 0.259 4.579 4.320 -0.001 0.000 0.263 786 K C -0.517 176.040 176.600 -0.071 0.000 0.975 786 K CA -0.680 55.568 56.287 -0.064 0.000 0.895 786 K CB 0.840 33.322 32.500 -0.029 0.000 1.060 786 K HN 0.746 nan 8.250 nan 0.000 0.448 787 D N 2.559 122.949 120.400 -0.017 0.000 2.453 787 D HA 0.016 4.655 4.640 -0.001 0.000 0.223 787 D C -0.999 175.288 176.300 -0.021 0.000 1.183 787 D CA -0.151 53.836 54.000 -0.021 0.000 0.933 787 D CB 0.158 40.966 40.800 0.012 0.000 1.038 787 D HN 0.454 nan 8.370 nan 0.000 0.513 788 T N 0.628 115.160 114.554 -0.035 0.000 3.042 788 T HA 0.576 4.926 4.350 -0.001 0.000 0.356 788 T C -0.301 174.381 174.700 -0.029 0.000 1.233 788 T CA -0.814 61.270 62.100 -0.027 0.000 1.038 788 T CB 0.415 69.269 68.868 -0.025 0.000 1.089 788 T HN 0.043 nan 8.240 nan 0.000 0.531 789 S N 2.883 118.567 115.700 -0.027 0.000 2.557 789 S HA 0.461 4.931 4.470 -0.001 0.000 0.291 789 S C -0.387 174.196 174.600 -0.028 0.000 1.116 789 S CA -0.841 57.342 58.200 -0.029 0.000 0.992 789 S CB 1.381 64.561 63.200 -0.033 0.000 1.028 789 S HN 0.769 nan 8.310 nan 0.000 0.484 790 L N 4.609 125.817 121.223 -0.024 0.000 2.698 790 L HA 0.131 4.470 4.340 -0.001 0.000 0.272 790 L C 0.402 177.245 176.870 -0.043 0.000 1.154 790 L CA 1.130 55.959 54.840 -0.018 0.000 0.964 790 L CB -0.349 41.708 42.059 -0.004 0.000 1.272 790 L HN 0.580 nan 8.230 nan 0.000 0.483 791 R N 2.648 123.120 120.500 -0.047 0.000 2.875 791 R HA 0.584 4.924 4.340 -0.001 0.000 0.251 791 R C -0.965 175.272 176.300 -0.105 0.000 1.123 791 R CA -1.267 54.786 56.100 -0.077 0.000 1.064 791 R CB 1.262 31.525 30.300 -0.061 0.000 1.205 791 R HN 0.251 nan 8.270 nan 0.000 0.503 792 V N 3.626 123.452 119.914 -0.146 0.000 2.415 792 V HA 0.106 4.226 4.120 -0.001 0.000 0.267 792 V C -2.014 174.030 176.094 -0.083 0.000 1.042 792 V CA -1.309 60.883 62.300 -0.180 0.000 1.000 792 V CB 0.338 32.048 31.823 -0.189 0.000 1.015 792 V HN 0.575 nan 8.190 nan 0.000 0.478 793 P HA 0.188 nan 4.420 nan 0.000 0.269 793 P C -2.430 174.817 177.300 -0.088 0.000 1.215 793 P CA -0.973 62.097 63.100 -0.050 0.000 0.780 793 P CB -0.105 31.598 31.700 0.005 0.000 0.898 794 P HA 0.136 nan 4.420 nan 0.000 0.271 794 P C 0.547 177.817 177.300 -0.051 0.000 1.233 794 P CA 1.179 64.192 63.100 -0.144 0.000 0.795 794 P CB -0.002 31.507 31.700 -0.317 0.000 0.936 795 G N -0.272 108.580 108.800 0.088 0.000 2.660 795 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.215 795 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.215 795 G C -1.138 173.776 174.900 0.023 0.000 1.345 795 G CA -0.525 44.620 45.100 0.076 0.000 0.877 795 G HN 0.533 nan 8.290 nan 0.000 0.549 796 E N -1.189 119.018 120.200 0.012 0.000 2.446 796 E HA 0.619 4.969 4.350 -0.001 0.000 0.276 796 E C 0.304 176.927 176.600 0.039 0.000 0.969 796 E CA -0.482 55.923 56.400 0.009 0.000 0.800 796 E CB 1.998 31.693 29.700 -0.009 0.000 1.341 796 E HN 1.010 nan 8.360 nan 0.000 0.460 797 G N -0.960 107.844 108.800 0.007 0.000 2.932 797 G HA2 0.671 4.631 3.960 -0.001 0.000 0.283 797 G HA3 0.671 4.631 3.960 -0.001 0.000 0.283 797 G C -0.276 174.626 174.900 0.004 0.000 1.336 797 G CA 0.070 45.175 45.100 0.008 0.000 1.056 797 G HN 0.501 nan 8.290 nan 0.000 0.522 798 G N -1.103 107.703 108.800 0.010 0.000 3.088 798 G HA2 0.500 4.459 3.960 -0.001 0.000 0.197 798 G HA3 0.500 4.459 3.960 -0.001 0.000 0.197 798 G C -0.278 174.616 174.900 -0.010 0.000 1.611 798 G CA -0.095 45.010 45.100 0.009 0.000 0.771 798 G HN 0.905 nan 8.290 nan 0.000 0.789 799 I N 0.905 121.473 120.570 -0.003 0.000 2.603 799 I HA 0.635 4.805 4.170 -0.001 0.000 0.300 799 I C -0.298 175.814 176.117 -0.009 0.000 1.017 799 I CA -1.172 60.117 61.300 -0.018 0.000 1.098 799 I CB 1.356 39.339 38.000 -0.028 0.000 1.279 799 I HN 0.064 nan 8.210 nan 0.000 0.437 800 V N 5.373 125.277 119.914 -0.016 0.000 2.508 800 V HA 0.136 4.256 4.120 -0.001 0.000 0.281 800 V C 1.298 177.395 176.094 0.004 0.000 1.041 800 V CA -0.130 62.172 62.300 0.004 0.000 1.016 800 V CB 1.068 32.885 31.823 -0.009 0.000 0.984 800 V HN 0.765 nan 8.190 nan 0.000 0.478 801 V N 1.656 121.588 119.914 0.030 0.000 3.612 801 V HA 0.489 4.608 4.120 -0.001 0.000 0.268 801 V C 0.553 176.649 176.094 0.003 0.000 1.365 801 V CA 0.136 62.430 62.300 -0.010 0.000 1.044 801 V CB -0.091 31.703 31.823 -0.048 0.000 0.820 801 V HN 0.830 nan 8.190 nan 0.000 0.444 802 R N 0.741 121.281 120.500 0.068 0.000 2.634 802 R HA 0.578 4.917 4.340 -0.001 0.000 0.263 802 R C -1.482 174.922 176.300 0.172 0.000 1.060 802 R CA 0.498 56.635 56.100 0.062 0.000 0.898 802 R CB 2.192 32.453 30.300 -0.065 0.000 1.253 802 R HN 0.458 nan 8.270 nan 0.000 0.461 803 T N -0.546 114.080 114.554 0.121 0.000 2.916 803 T HA 0.650 5.000 4.350 -0.001 0.000 0.305 803 T C -1.040 173.725 174.700 0.109 0.000 1.119 803 T CA -0.671 61.510 62.100 0.135 0.000 1.008 803 T CB 1.904 70.812 68.868 0.067 0.000 1.129 803 T HN 0.219 nan 8.240 nan 0.000 0.480 804 V N 1.889 121.873 119.914 0.117 0.000 2.577 804 V HA 0.664 4.784 4.120 -0.001 0.000 0.303 804 V C -0.172 175.952 176.094 0.050 0.000 1.042 804 V CA -0.970 61.380 62.300 0.082 0.000 0.872 804 V CB 1.698 33.588 31.823 0.113 0.000 0.998 804 V HN 1.022 nan 8.190 nan 0.000 0.423 805 R N 4.480 124.999 120.500 0.032 0.000 2.358 805 R HA 0.617 4.957 4.340 -0.001 0.000 0.309 805 R C -1.417 174.893 176.300 0.017 0.000 1.026 805 R CA -0.577 55.535 56.100 0.021 0.000 0.909 805 R CB 1.039 31.349 30.300 0.016 0.000 1.153 805 R HN 0.772 nan 8.270 nan 0.000 0.515 806 L N 5.393 126.625 121.223 0.014 0.000 2.272 806 L HA 0.458 4.798 4.340 -0.001 0.000 0.284 806 L C 0.787 177.662 176.870 0.008 0.000 1.045 806 L CA -0.679 54.167 54.840 0.010 0.000 0.842 806 L CB 1.020 43.082 42.059 0.005 0.000 1.224 806 L HN 0.466 nan 8.230 nan 0.000 0.430 807 R N 1.173 121.679 120.500 0.010 0.000 3.357 807 R HA 0.110 4.449 4.340 -0.001 0.000 0.218 807 R C 1.548 177.854 176.300 0.009 0.000 1.015 807 R CA -0.058 56.048 56.100 0.010 0.000 1.122 807 R CB 0.214 30.520 30.300 0.011 0.000 0.804 807 R HN 0.445 nan 8.270 nan 0.000 0.466 808 R N -0.600 119.906 120.500 0.010 0.000 2.091 808 R HA -0.107 4.233 4.340 -0.001 0.000 0.238 808 R C 0.206 176.511 176.300 0.009 0.000 1.136 808 R CA 1.831 57.937 56.100 0.009 0.000 0.959 808 R CB -0.073 30.233 30.300 0.011 0.000 0.856 808 R HN 0.800 nan 8.270 nan 0.000 0.437 809 G N 0.167 108.974 108.800 0.012 0.000 3.231 809 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.232 809 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.232 809 G C -0.412 174.501 174.900 0.022 0.000 2.928 809 G CA 0.047 45.155 45.100 0.013 0.000 0.879 809 G HN 0.456 nan 8.290 nan 0.000 0.424 810 D N -0.468 119.948 120.400 0.026 0.000 2.367 810 D HA 0.055 4.695 4.640 -0.001 0.000 0.207 810 D C -0.401 175.928 176.300 0.048 0.000 1.034 810 D CA 0.267 54.288 54.000 0.034 0.000 0.861 810 D CB 0.025 40.843 40.800 0.030 0.000 0.943 810 D HN 0.357 nan 8.370 nan 0.000 0.515 811 P HA 0.152 nan 4.420 nan 0.000 0.206 811 P C 1.071 178.446 177.300 0.126 0.000 1.209 811 P CA 1.792 64.936 63.100 0.074 0.000 0.923 811 P CB -0.068 31.664 31.700 0.053 0.000 0.761 812 G N -1.386 107.479 108.800 0.109 0.000 4.820 812 G HA2 0.271 4.231 3.960 -0.001 0.000 0.223 812 G HA3 0.271 4.231 3.960 -0.001 0.000 0.223 812 G C -0.745 174.108 174.900 -0.078 0.000 1.029 812 G CA -0.012 45.197 45.100 0.183 0.000 1.144 812 G HN 0.418 nan 8.290 nan 0.000 0.618 813 V N -0.866 119.016 119.914 -0.054 0.000 2.435 813 V HA 0.883 5.002 4.120 -0.001 0.000 0.290 813 V C -0.326 175.735 176.094 -0.055 0.000 1.030 813 V CA -1.001 61.242 62.300 -0.095 0.000 0.881 813 V CB 1.530 33.317 31.823 -0.059 0.000 0.983 813 V HN 0.417 nan 8.190 nan 0.000 0.445 814 E N 4.926 125.085 120.200 -0.069 0.000 2.133 814 E HA 0.594 4.944 4.350 -0.001 0.000 0.274 814 E C -1.112 175.469 176.600 -0.032 0.000 0.930 814 E CA -0.918 55.459 56.400 -0.038 0.000 0.770 814 E CB 2.244 31.923 29.700 -0.035 0.000 1.104 814 E HN 0.601 nan 8.360 nan 0.000 0.403 815 L N 2.998 124.211 121.223 -0.018 0.000 2.395 815 L HA 0.233 4.572 4.340 -0.001 0.000 0.269 815 L C 0.148 177.012 176.870 -0.010 0.000 1.133 815 L CA -0.049 54.784 54.840 -0.013 0.000 0.812 815 L CB 0.844 42.900 42.059 -0.006 0.000 1.125 815 L HN 0.491 nan 8.230 nan 0.000 0.452 816 K N 3.834 124.229 120.400 -0.009 0.000 2.276 816 K HA 0.215 4.535 4.320 -0.001 0.000 0.259 816 K C -2.270 174.329 176.600 -0.002 0.000 1.001 816 K CA -1.328 54.956 56.287 -0.006 0.000 0.927 816 K CB -0.191 32.306 32.500 -0.005 0.000 0.969 816 K HN 0.392 nan 8.250 nan 0.000 0.490 817 P HA -0.016 nan 4.420 nan 0.000 0.271 817 P C 0.587 177.889 177.300 0.003 0.000 1.216 817 P CA 0.678 63.779 63.100 0.002 0.000 0.776 817 P CB 0.818 32.519 31.700 0.001 0.000 0.881 818 G N 1.183 109.986 108.800 0.005 0.000 2.417 818 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.233 818 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.233 818 G C 0.125 175.030 174.900 0.009 0.000 1.103 818 G CA -0.008 45.096 45.100 0.008 0.000 0.647 818 G HN 0.537 nan 8.290 nan 0.000 0.512 819 V N 2.524 122.442 119.914 0.006 0.000 2.434 819 V HA 0.214 4.334 4.120 -0.001 0.000 0.281 819 V C 1.793 177.891 176.094 0.007 0.000 1.005 819 V CA 1.276 63.579 62.300 0.005 0.000 1.089 819 V CB 0.990 32.813 31.823 0.001 0.000 0.978 819 V HN 0.501 nan 8.190 nan 0.000 0.474 820 R N 3.003 123.509 120.500 0.010 0.000 2.075 820 R HA 0.082 4.422 4.340 -0.001 0.000 0.226 820 R C 0.784 177.089 176.300 0.009 0.000 1.114 820 R CA 1.030 57.137 56.100 0.012 0.000 0.972 820 R CB 0.417 30.727 30.300 0.016 0.000 0.869 820 R HN 0.894 nan 8.270 nan 0.000 0.437 821 E N -0.359 119.845 120.200 0.007 0.000 2.388 821 E HA 0.129 4.478 4.350 -0.001 0.000 0.281 821 E C -1.653 174.949 176.600 0.003 0.000 1.046 821 E CA -0.644 55.759 56.400 0.005 0.000 0.825 821 E CB 1.708 31.412 29.700 0.007 0.000 1.243 821 E HN -0.033 nan 8.360 nan 0.000 0.438 822 V N 0.040 119.955 119.914 0.002 0.000 2.769 822 V HA 0.866 4.985 4.120 -0.001 0.000 0.312 822 V C -1.137 174.959 176.094 0.004 0.000 1.058 822 V CA -0.417 61.883 62.300 0.000 0.000 0.952 822 V CB 1.761 33.583 31.823 -0.002 0.000 1.019 822 V HN 0.450 nan 8.190 nan 0.000 0.445 823 V N 4.810 124.725 119.914 0.001 0.000 2.498 823 V HA 0.534 4.654 4.120 -0.001 0.000 0.283 823 V C 0.042 176.135 176.094 -0.001 0.000 1.015 823 V CA -0.489 61.815 62.300 0.005 0.000 0.867 823 V CB 1.371 33.196 31.823 0.003 0.000 1.025 823 V HN 1.046 nan 8.190 nan 0.000 0.441 824 R N 2.731 123.233 120.500 0.002 0.000 2.549 824 R HA 0.850 5.189 4.340 -0.001 0.000 0.267 824 R C -1.057 175.233 176.300 -0.016 0.000 1.045 824 R CA -0.708 55.365 56.100 -0.047 0.000 1.115 824 R CB 2.120 32.369 30.300 -0.084 0.000 1.121 824 R HN 0.410 nan 8.270 nan 0.000 0.543 825 V N 2.975 122.847 119.914 -0.070 0.000 2.568 825 V HA 0.171 4.291 4.120 -0.001 0.000 0.276 825 V C -1.387 174.725 176.094 0.030 0.000 1.002 825 V CA -0.797 61.520 62.300 0.028 0.000 0.879 825 V CB 0.663 32.504 31.823 0.030 0.000 1.040 825 V HN 0.605 nan 8.190 nan 0.000 0.457 826 Y N 3.029 123.376 120.300 0.078 0.000 2.442 826 Y HA 0.488 5.038 4.550 -0.001 0.000 0.330 826 Y C 0.442 176.401 175.900 0.097 0.000 1.129 826 Y CA -0.074 58.081 58.100 0.091 0.000 1.365 826 Y CB 1.080 39.559 38.460 0.031 0.000 1.233 826 Y HN 0.349 nan 8.280 nan 0.000 0.529 827 V N 2.801 122.876 119.914 0.267 0.000 2.735 827 V HA 0.872 4.991 4.120 -0.001 0.000 0.310 827 V C -0.268 175.940 176.094 0.190 0.000 1.061 827 V CA -1.043 61.371 62.300 0.190 0.000 0.913 827 V CB 1.706 33.632 31.823 0.172 0.000 1.005 827 V HN 0.875 nan 8.190 nan 0.000 0.428 828 A N 3.423 126.315 122.820 0.120 0.000 2.384 828 A HA 0.957 5.277 4.320 -0.001 0.000 0.312 828 A C -0.873 176.770 177.584 0.098 0.000 1.113 828 A CA -0.596 51.512 52.037 0.118 0.000 0.779 828 A CB 2.144 21.176 19.000 0.054 0.000 1.307 828 A HN 0.846 nan 8.150 nan 0.000 0.436 829 Q N 0.578 120.454 119.800 0.127 0.000 2.435 829 Q HA 0.420 4.760 4.340 -0.001 0.000 0.282 829 Q C -1.715 174.351 176.000 0.111 0.000 1.020 829 Q CA -0.667 55.194 55.803 0.096 0.000 0.820 829 Q CB 1.586 30.376 28.738 0.087 0.000 1.436 829 Q HN 0.652 nan 8.270 nan 0.000 0.395 830 K N 2.393 122.839 120.400 0.077 0.000 2.227 830 K HA 0.376 4.695 4.320 -0.001 0.000 0.280 830 K C -0.761 175.886 176.600 0.078 0.000 1.041 830 K CA -0.316 56.020 56.287 0.082 0.000 0.905 830 K CB 0.891 33.427 32.500 0.060 0.000 1.068 830 K HN 0.413 nan 8.250 nan 0.000 0.470 831 R N 3.583 124.143 120.500 0.099 0.000 2.247 831 R HA 0.180 4.520 4.340 -0.001 0.000 0.329 831 R C -0.302 176.056 176.300 0.097 0.000 1.014 831 R CA -0.524 55.630 56.100 0.090 0.000 0.907 831 R CB 1.163 31.532 30.300 0.114 0.000 1.146 831 R HN 0.337 nan 8.270 nan 0.000 0.499 832 K N 1.525 121.972 120.400 0.079 0.000 2.168 832 K HA 0.135 4.455 4.320 -0.001 0.000 0.258 832 K C 0.019 176.678 176.600 0.098 0.000 1.010 832 K CA -0.671 55.668 56.287 0.087 0.000 0.929 832 K CB 0.659 33.197 32.500 0.064 0.000 0.998 832 K HN 0.137 nan 8.250 nan 0.000 0.479 833 L N 3.158 124.454 121.223 0.121 0.000 2.410 833 L HA 0.029 4.369 4.340 -0.001 0.000 0.273 833 L C -0.452 176.465 176.870 0.077 0.000 1.152 833 L CA 0.834 55.743 54.840 0.115 0.000 0.855 833 L CB 0.082 42.246 42.059 0.175 0.000 1.129 833 L HN 0.627 nan 8.230 nan 0.000 0.463 834 Q N 2.818 122.656 119.800 0.063 0.000 2.553 834 Q HA 0.343 4.683 4.340 -0.001 0.000 0.293 834 Q C 0.291 176.310 176.000 0.032 0.000 1.038 834 Q CA -0.619 55.207 55.803 0.039 0.000 0.777 834 Q CB 1.268 30.021 28.738 0.026 0.000 1.487 834 Q HN 0.312 nan 8.270 nan 0.000 0.426 835 V N 1.516 121.441 119.914 0.018 0.000 2.370 835 V HA -0.215 3.904 4.120 -0.001 0.000 0.252 835 V C 1.580 177.689 176.094 0.024 0.000 1.068 835 V CA 2.959 65.269 62.300 0.017 0.000 1.061 835 V CB -0.852 30.979 31.823 0.014 0.000 0.656 835 V HN 0.951 nan 8.190 nan 0.000 0.455 836 G N -0.807 108.005 108.800 0.020 0.000 2.448 836 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.218 836 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.218 836 G C 0.680 175.644 174.900 0.106 0.000 1.135 836 G CA 0.392 45.508 45.100 0.028 0.000 0.784 836 G HN 0.597 nan 8.290 nan 0.000 0.543 837 D N 0.158 120.641 120.400 0.138 0.000 2.362 837 D HA 0.229 4.869 4.640 -0.001 0.000 0.238 837 D C 0.255 176.552 176.300 -0.004 0.000 1.212 837 D CA 0.635 54.710 54.000 0.124 0.000 0.902 837 D CB 0.797 41.626 40.800 0.049 0.000 1.180 837 D HN 0.307 nan 8.370 nan 0.000 0.445 838 K N 1.097 121.434 120.400 -0.105 0.000 2.507 838 K HA 0.462 4.782 4.320 -0.001 0.000 0.252 838 K C -1.278 175.226 176.600 -0.160 0.000 0.943 838 K CA -0.746 55.479 56.287 -0.103 0.000 0.808 838 K CB 0.807 33.266 32.500 -0.069 0.000 1.142 838 K HN 0.371 nan 8.250 nan 0.000 0.426 839 L N 0.940 122.066 121.223 -0.161 0.000 2.333 839 L HA 1.007 5.347 4.340 -0.001 0.000 0.269 839 L C -0.804 175.992 176.870 -0.124 0.000 1.010 839 L CA -1.163 53.553 54.840 -0.208 0.000 0.818 839 L CB 2.202 44.064 42.059 -0.330 0.000 1.306 839 L HN 0.762 nan 8.230 nan 0.000 0.430 840 A N 1.295 124.052 122.820 -0.104 0.000 2.513 840 A HA 0.453 4.773 4.320 -0.001 0.000 0.296 840 A C -0.853 176.724 177.584 -0.012 0.000 1.052 840 A CA -0.869 51.143 52.037 -0.041 0.000 0.714 840 A CB 1.056 20.042 19.000 -0.023 0.000 1.279 840 A HN 0.943 nan 8.150 nan 0.000 0.397 841 N N 1.380 120.099 118.700 0.031 0.000 2.317 841 N HA 0.168 4.907 4.740 -0.001 0.000 0.245 841 N C 0.534 176.070 175.510 0.043 0.000 1.294 841 N CA -0.545 52.552 53.050 0.079 0.000 0.924 841 N CB 0.802 39.370 38.487 0.136 0.000 1.186 841 N HN 0.657 nan 8.380 nan 0.000 0.495 842 R N -0.748 119.740 120.500 -0.020 0.000 2.148 842 R HA -0.070 4.270 4.340 -0.001 0.000 0.227 842 R C 1.909 178.104 176.300 -0.174 0.000 1.103 842 R CA 1.038 57.060 56.100 -0.131 0.000 0.983 842 R CB -0.365 29.777 30.300 -0.264 0.000 0.874 842 R HN 0.596 nan 8.270 nan 0.000 0.451 843 H N -1.266 117.814 119.070 0.017 0.000 2.321 843 H HA -0.002 4.554 4.556 -0.000 0.000 0.300 843 H C 1.682 177.019 175.328 0.014 0.000 1.087 843 H CA 1.829 57.884 56.048 0.011 0.000 1.319 843 H CB 0.173 29.951 29.762 0.026 0.000 1.379 843 H HN 0.511 nan 8.280 nan 0.000 0.501 844 G N -0.479 108.399 108.800 0.130 0.000 3.509 844 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.220 844 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.220 844 G C 0.052 174.987 174.900 0.058 0.000 0.951 844 G CA -0.294 44.850 45.100 0.075 0.000 0.844 844 G HN 0.204 nan 8.290 nan 0.000 0.568 845 N N 1.677 120.422 118.700 0.075 0.000 2.418 845 N HA 0.182 4.922 4.740 -0.001 0.000 0.277 845 N C -0.118 175.405 175.510 0.022 0.000 1.317 845 N CA 0.707 53.784 53.050 0.044 0.000 0.922 845 N CB 0.346 38.863 38.487 0.050 0.000 1.194 845 N HN 0.433 nan 8.380 nan 0.000 0.485 846 K N 1.388 121.792 120.400 0.007 0.000 2.156 846 K HA 0.743 5.062 4.320 -0.001 0.000 0.254 846 K C -0.206 176.385 176.600 -0.015 0.000 0.950 846 K CA -0.822 55.461 56.287 -0.007 0.000 0.849 846 K CB 1.322 33.819 32.500 -0.004 0.000 1.100 846 K HN 0.624 nan 8.250 nan 0.000 0.434 847 G N 0.416 109.202 108.800 -0.024 0.000 2.368 847 G HA2 0.370 4.330 3.960 -0.001 0.000 0.293 847 G HA3 0.370 4.330 3.960 -0.001 0.000 0.293 847 G C -1.936 172.948 174.900 -0.026 0.000 1.467 847 G CA -0.633 44.454 45.100 -0.021 0.000 0.804 847 G HN 0.401 nan 8.290 nan 0.000 0.535 848 V N 0.049 119.957 119.914 -0.011 0.000 2.628 848 V HA 0.534 4.654 4.120 -0.001 0.000 0.306 848 V C 0.420 176.518 176.094 0.007 0.000 1.045 848 V CA -0.809 61.488 62.300 -0.005 0.000 0.905 848 V CB 1.893 33.722 31.823 0.010 0.000 0.997 848 V HN 0.722 nan 8.190 nan 0.000 0.436 849 V N 3.832 123.747 119.914 0.001 0.000 2.485 849 V HA 0.203 4.323 4.120 -0.001 0.000 0.287 849 V C 1.151 177.266 176.094 0.036 0.000 1.022 849 V CA 0.969 63.275 62.300 0.010 0.000 1.067 849 V CB 0.548 32.371 31.823 -0.001 0.000 0.967 849 V HN 1.108 nan 8.190 nan 0.000 0.479 850 A N 4.918 127.776 122.820 0.063 0.000 2.014 850 A HA 0.296 4.615 4.320 -0.001 0.000 0.210 850 A C 0.939 178.589 177.584 0.111 0.000 1.188 850 A CA 0.420 52.525 52.037 0.114 0.000 0.731 850 A CB 0.250 19.360 19.000 0.183 0.000 0.858 850 A HN 0.684 nan 8.150 nan 0.000 0.464 851 K N -0.373 120.048 120.400 0.035 0.000 2.543 851 K HA 0.554 4.874 4.320 -0.001 0.000 0.255 851 K C -2.056 174.468 176.600 -0.126 0.000 0.934 851 K CA -0.597 55.642 56.287 -0.080 0.000 0.810 851 K CB 1.326 33.644 32.500 -0.303 0.000 1.315 851 K HN 0.050 nan 8.250 nan 0.000 0.433 852 I N 4.871 125.377 120.570 -0.107 0.000 2.287 852 I HA 0.227 4.397 4.170 -0.001 0.000 0.290 852 I C -0.485 175.553 176.117 -0.130 0.000 1.069 852 I CA -0.312 60.929 61.300 -0.097 0.000 1.237 852 I CB 0.759 38.729 38.000 -0.050 0.000 1.418 852 I HN 0.448 nan 8.210 nan 0.000 0.481 853 L N 9.230 130.351 121.223 -0.169 0.000 2.375 853 L HA 0.488 4.828 4.340 -0.001 0.000 0.271 853 L C -2.107 174.702 176.870 -0.102 0.000 1.107 853 L CA -1.375 53.362 54.840 -0.172 0.000 0.806 853 L CB 0.634 42.542 42.059 -0.251 0.000 1.146 853 L HN 0.338 nan 8.230 nan 0.000 0.447 854 P HA 0.004 nan 4.420 nan 0.000 0.276 854 P C 0.644 177.926 177.300 -0.030 0.000 1.235 854 P CA -0.153 62.922 63.100 -0.042 0.000 0.772 854 P CB 1.006 32.689 31.700 -0.028 0.000 0.871 855 V N 3.591 123.488 119.914 -0.029 0.000 2.944 855 V HA -0.282 3.837 4.120 -0.001 0.000 0.265 855 V C 1.662 177.755 176.094 -0.002 0.000 1.125 855 V CA 1.949 64.239 62.300 -0.017 0.000 1.145 855 V CB -1.007 30.802 31.823 -0.024 0.000 0.725 855 V HN 0.541 nan 8.190 nan 0.000 0.510 856 E N 0.971 121.168 120.200 -0.005 0.000 2.070 856 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 856 E C 1.414 178.031 176.600 0.028 0.000 1.004 856 E CA 1.734 58.134 56.400 -0.001 0.000 0.805 856 E CB -0.197 29.503 29.700 0.000 0.000 0.744 856 E HN 0.925 nan 8.360 nan 0.000 0.451 857 D N -0.512 119.921 120.400 0.055 0.000 2.503 857 D HA 0.056 4.696 4.640 -0.001 0.000 0.218 857 D C 0.728 177.138 176.300 0.185 0.000 1.183 857 D CA -0.207 53.862 54.000 0.115 0.000 0.827 857 D CB -0.348 40.514 40.800 0.104 0.000 1.034 857 D HN 0.184 nan 8.370 nan 0.000 0.510 858 M N -1.193 118.492 119.600 0.142 0.000 2.114 858 M HA 0.533 5.013 4.480 -0.001 0.000 0.293 858 M C -2.343 174.123 176.300 0.277 0.000 1.201 858 M CA -1.748 53.670 55.300 0.197 0.000 1.107 858 M CB -0.144 32.462 32.600 0.010 0.000 1.405 858 M HN -0.423 nan 8.290 nan 0.000 0.486 859 P HA -0.030 nan 4.420 nan 0.000 0.260 859 P C -1.358 176.066 177.300 0.206 0.000 1.185 859 P CA 0.640 63.875 63.100 0.225 0.000 0.763 859 P CB -0.069 31.760 31.700 0.215 0.000 0.776 860 H N 2.913 122.078 119.070 0.158 0.000 2.572 860 H HA 0.471 5.028 4.556 0.001 0.000 0.359 860 H C -0.708 174.730 175.328 0.184 0.000 1.134 860 H CA -1.200 54.946 56.048 0.163 0.000 1.187 860 H CB 0.868 30.735 29.762 0.175 0.000 1.597 860 H HN 0.196 nan 8.280 nan 0.000 0.524 861 L N 2.984 124.349 121.223 0.238 0.000 2.475 861 L HA 0.150 4.489 4.340 -0.001 0.000 0.250 861 L C -1.320 175.754 176.870 0.340 0.000 1.224 861 L CA -1.589 53.363 54.840 0.187 0.000 0.821 861 L CB 0.663 42.894 42.059 0.286 0.000 1.141 861 L HN 0.469 nan 8.230 nan 0.000 0.494 862 P HA -0.165 nan 4.420 nan 0.000 0.213 862 P C -0.894 176.648 177.300 0.403 0.000 1.170 862 P CA 1.233 64.662 63.100 0.548 0.000 0.902 862 P CB -0.059 31.867 31.700 0.378 0.000 0.789 863 D N -1.195 119.357 120.400 0.253 0.000 2.383 863 D HA 0.110 4.750 4.640 -0.001 0.000 0.252 863 D C 1.483 177.922 176.300 0.232 0.000 1.166 863 D CA -0.052 54.054 54.000 0.176 0.000 0.879 863 D CB 0.195 41.052 40.800 0.095 0.000 1.164 863 D HN 0.030 nan 8.370 nan 0.000 0.462 864 G N 3.161 112.068 108.800 0.177 0.000 3.088 864 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.219 864 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.219 864 G C 0.883 175.875 174.900 0.153 0.000 1.098 864 G CA 1.095 46.282 45.100 0.145 0.000 0.694 864 G HN 0.638 nan 8.290 nan 0.000 0.631 865 T N 1.806 116.471 114.554 0.186 0.000 2.738 865 T HA 0.450 4.799 4.350 -0.001 0.000 0.293 865 T C -2.250 172.551 174.700 0.168 0.000 0.913 865 T CA -1.471 60.727 62.100 0.164 0.000 1.103 865 T CB 1.194 70.185 68.868 0.204 0.000 0.880 865 T HN 0.002 nan 8.240 nan 0.000 0.526 866 P HA 0.348 nan 4.420 nan 0.000 0.281 866 P C -0.700 176.630 177.300 0.050 0.000 1.264 866 P CA -0.796 62.379 63.100 0.126 0.000 0.824 866 P CB 0.692 32.461 31.700 0.115 0.000 1.092 867 V N -1.423 118.517 119.914 0.043 0.000 2.686 867 V HA 0.194 4.314 4.120 -0.001 0.000 0.295 867 V C 0.254 176.330 176.094 -0.029 0.000 1.055 867 V CA 0.185 62.481 62.300 -0.005 0.000 1.050 867 V CB 0.539 32.371 31.823 0.014 0.000 0.984 867 V HN 0.388 nan 8.190 nan 0.000 0.482 868 D N 2.757 123.125 120.400 -0.054 0.000 2.149 868 D HA 0.126 4.766 4.640 -0.001 0.000 0.206 868 D C 0.495 176.766 176.300 -0.050 0.000 0.967 868 D CA 1.006 54.965 54.000 -0.068 0.000 0.848 868 D CB 0.200 40.940 40.800 -0.099 0.000 0.998 868 D HN 0.513 nan 8.370 nan 0.000 0.474 869 V N 0.979 120.876 119.914 -0.028 0.000 2.735 869 V HA 0.420 4.540 4.120 -0.001 0.000 0.310 869 V C -1.531 174.551 176.094 -0.020 0.000 1.061 869 V CA -0.966 61.319 62.300 -0.024 0.000 0.913 869 V CB 1.775 33.607 31.823 0.014 0.000 1.005 869 V HN 0.070 nan 8.190 nan 0.000 0.428 870 I N 7.109 127.659 120.570 -0.033 0.000 2.388 870 I HA 0.424 4.594 4.170 -0.001 0.000 0.281 870 I C -0.416 175.725 176.117 0.040 0.000 1.046 870 I CA -0.393 60.915 61.300 0.013 0.000 1.187 870 I CB 0.896 38.901 38.000 0.008 0.000 1.351 870 I HN 0.302 nan 8.210 nan 0.000 0.472 871 L N 4.693 125.939 121.223 0.039 0.000 2.326 871 L HA 0.316 4.655 4.340 -0.001 0.000 0.278 871 L C 0.406 177.306 176.870 0.051 0.000 1.092 871 L CA -0.365 54.498 54.840 0.037 0.000 0.810 871 L CB 0.689 42.761 42.059 0.021 0.000 1.153 871 L HN 0.549 nan 8.230 nan 0.000 0.439 872 N N 4.066 122.799 118.700 0.054 0.000 2.442 872 N HA 0.149 4.889 4.740 -0.001 0.000 0.265 872 N C -1.797 173.730 175.510 0.029 0.000 1.138 872 N CA -1.545 51.539 53.050 0.057 0.000 0.956 872 N CB 1.291 39.814 38.487 0.060 0.000 1.067 872 N HN 0.243 nan 8.380 nan 0.000 0.474 873 P HA -0.170 nan 4.420 nan 0.000 0.213 873 P C 1.457 178.759 177.300 0.003 0.000 1.170 873 P CA 1.194 64.299 63.100 0.009 0.000 0.902 873 P CB 0.138 31.844 31.700 0.010 0.000 0.789 874 L N -1.259 119.969 121.223 0.008 0.000 2.171 874 L HA -0.226 4.114 4.340 -0.001 0.000 0.216 874 L C 2.352 179.213 176.870 -0.014 0.000 1.084 874 L CA 1.836 56.675 54.840 -0.001 0.000 0.771 874 L CB -1.649 40.412 42.059 0.003 0.000 0.890 874 L HN 0.154 nan 8.230 nan 0.000 0.437 875 G N -1.337 107.453 108.800 -0.016 0.000 2.776 875 G HA2 0.065 4.024 3.960 -0.001 0.000 0.209 875 G HA3 0.065 4.024 3.960 -0.001 0.000 0.209 875 G C 1.428 176.320 174.900 -0.013 0.000 1.145 875 G CA 0.401 45.488 45.100 -0.022 0.000 0.791 875 G HN 0.239 nan 8.290 nan 0.000 0.530 876 V N 0.749 120.656 119.914 -0.011 0.000 2.492 876 V HA 0.029 4.149 4.120 -0.001 0.000 0.241 876 V C 0.180 176.268 176.094 -0.010 0.000 1.041 876 V CA 0.995 63.287 62.300 -0.013 0.000 1.057 876 V CB -0.281 31.530 31.823 -0.019 0.000 0.711 876 V HN 0.140 nan 8.190 nan 0.000 0.468 877 P HA -0.153 nan 4.420 nan 0.000 0.211 877 P C 2.132 179.431 177.300 -0.001 0.000 1.179 877 P CA 2.450 65.547 63.100 -0.005 0.000 0.910 877 P CB -0.204 31.494 31.700 -0.004 0.000 0.785 878 S N -0.157 115.541 115.700 -0.003 0.000 2.392 878 S HA -0.200 4.269 4.470 -0.001 0.000 0.225 878 S C 1.071 175.673 174.600 0.004 0.000 1.041 878 S CA 1.028 59.228 58.200 -0.001 0.000 1.100 878 S CB -1.487 61.709 63.200 -0.007 0.000 1.029 878 S HN -0.022 nan 8.310 nan 0.000 0.424 879 R N 1.138 121.639 120.500 0.003 0.000 2.784 879 R HA 0.440 4.780 4.340 -0.001 0.000 0.266 879 R C -0.218 176.090 176.300 0.014 0.000 1.044 879 R CA 0.629 56.735 56.100 0.011 0.000 1.151 879 R CB -0.037 30.270 30.300 0.011 0.000 1.037 879 R HN 0.459 nan 8.270 nan 0.000 0.478 880 M N 2.733 122.348 119.600 0.024 0.000 1.998 880 M HA 0.244 4.724 4.480 -0.001 0.000 0.289 880 M C -0.910 175.410 176.300 0.032 0.000 0.886 880 M CA 0.044 55.358 55.300 0.025 0.000 0.853 880 M CB 0.710 33.329 32.600 0.031 0.000 1.462 880 M HN 0.673 nan 8.290 nan 0.000 0.375 881 N N 2.419 121.126 118.700 0.012 0.000 2.707 881 N HA 0.264 5.004 4.740 -0.001 0.000 0.249 881 N C -0.181 175.284 175.510 -0.076 0.000 1.299 881 N CA -0.467 52.580 53.050 -0.005 0.000 0.769 881 N CB 0.916 39.412 38.487 0.015 0.000 1.236 881 N HN 0.477 nan 8.380 nan 0.000 0.524 882 L N 0.876 122.069 121.223 -0.051 0.000 2.376 882 L HA 0.069 4.408 4.340 -0.001 0.000 0.219 882 L C 2.541 179.314 176.870 -0.162 0.000 1.133 882 L CA 1.106 55.888 54.840 -0.096 0.000 0.816 882 L CB -0.136 41.874 42.059 -0.082 0.000 0.933 882 L HN 0.744 nan 8.230 nan 0.000 0.449 883 G N 0.317 109.029 108.800 -0.147 0.000 2.503 883 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.221 883 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.221 883 G C 1.471 176.107 174.900 -0.439 0.000 1.131 883 G CA 1.025 46.060 45.100 -0.109 0.000 0.756 883 G HN 0.616 nan 8.290 nan 0.000 0.572 884 Q N -0.161 119.108 119.800 -0.884 0.000 2.119 884 Q HA -0.043 4.296 4.340 -0.001 0.000 0.201 884 Q C 2.282 178.203 176.000 -0.131 0.000 0.972 884 Q CA 1.232 56.755 55.803 -0.466 0.000 0.847 884 Q CB -0.337 28.284 28.738 -0.194 0.000 0.903 884 Q HN 0.402 nan 8.270 nan 0.000 0.433 885 I N 0.792 121.274 120.570 -0.148 0.000 2.676 885 I HA -0.125 4.045 4.170 -0.001 0.000 0.259 885 I C 2.198 178.257 176.117 -0.097 0.000 1.194 885 I CA 0.801 62.014 61.300 -0.147 0.000 1.473 885 I CB -0.847 37.096 38.000 -0.095 0.000 1.096 885 I HN 0.287 nan 8.210 nan 0.000 0.443 886 L N 0.364 121.573 121.223 -0.024 0.000 2.162 886 L HA -0.127 4.213 4.340 -0.001 0.000 0.205 886 L C 2.588 179.631 176.870 0.289 0.000 1.086 886 L CA 0.878 55.722 54.840 0.006 0.000 0.778 886 L CB -0.214 41.566 42.059 -0.464 0.000 0.928 886 L HN 0.243 nan 8.230 nan 0.000 0.446 887 E N -0.111 120.383 120.200 0.489 0.000 2.038 887 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 887 E C 1.898 178.607 176.600 0.181 0.000 1.000 887 E CA 2.087 58.717 56.400 0.383 0.000 0.803 887 E CB -0.009 29.857 29.700 0.276 0.000 0.750 887 E HN 0.290 nan 8.360 nan 0.000 0.448 888 T N -0.187 114.397 114.554 0.049 0.000 2.685 888 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 888 T C 1.415 176.063 174.700 -0.086 0.000 1.034 888 T CA 1.988 64.051 62.100 -0.061 0.000 1.149 888 T CB -0.546 68.199 68.868 -0.204 0.000 0.860 888 T HN 0.408 nan 8.240 nan 0.000 0.449 889 H N 0.105 119.185 119.070 0.017 0.000 2.276 889 H HA 0.082 4.637 4.556 -0.002 0.000 0.301 889 H C 2.273 177.612 175.328 0.019 0.000 1.073 889 H CA 1.340 57.367 56.048 -0.034 0.000 1.311 889 H CB -0.323 29.382 29.762 -0.094 0.000 1.379 889 H HN 0.154 nan 8.280 nan 0.000 0.494 890 L N 0.614 121.943 121.223 0.177 0.000 2.189 890 L HA -0.130 4.210 4.340 -0.001 0.000 0.214 890 L C 2.318 179.318 176.870 0.217 0.000 1.097 890 L CA 1.601 56.506 54.840 0.108 0.000 0.764 890 L CB -0.492 41.627 42.059 0.100 0.000 0.900 890 L HN 0.348 nan 8.230 nan 0.000 0.436 891 G N -0.110 108.833 108.800 0.238 0.000 2.414 891 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.215 891 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.215 891 G C 1.469 176.565 174.900 0.325 0.000 1.188 891 G CA 0.764 46.037 45.100 0.288 0.000 0.783 891 G HN 0.389 nan 8.290 nan 0.000 0.537 892 L N 1.595 122.966 121.223 0.247 0.000 2.051 892 L HA -0.092 4.248 4.340 -0.001 0.000 0.214 892 L C 2.970 180.161 176.870 0.535 0.000 1.076 892 L CA 2.416 57.444 54.840 0.313 0.000 0.758 892 L CB -0.738 41.379 42.059 0.098 0.000 0.890 892 L HN 0.257 nan 8.230 nan 0.000 0.433 893 A N -0.545 122.542 122.820 0.444 0.000 1.855 893 A HA -0.039 4.280 4.320 -0.001 0.000 0.215 893 A C 2.386 180.320 177.584 0.582 0.000 1.191 893 A CA 1.503 53.850 52.037 0.517 0.000 0.613 893 A CB -1.682 17.557 19.000 0.399 0.000 0.829 893 A HN 0.534 nan 8.150 nan 0.000 0.442 894 G N -1.977 107.197 108.800 0.623 0.000 2.485 894 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.221 894 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.221 894 G C 1.481 176.584 174.900 0.339 0.000 1.115 894 G CA 1.375 46.764 45.100 0.481 0.000 0.751 894 G HN 0.605 nan 8.290 nan 0.000 0.567 895 Y N 0.351 120.806 120.300 0.259 0.000 2.153 895 Y HA 0.090 4.641 4.550 0.001 0.000 0.289 895 Y C 2.232 178.135 175.900 0.006 0.000 1.127 895 Y CA 1.353 59.506 58.100 0.088 0.000 1.131 895 Y CB -0.170 38.314 38.460 0.041 0.000 0.995 895 Y HN 0.151 nan 8.280 nan 0.000 0.505 896 F N -1.093 119.065 119.950 0.347 0.000 2.456 896 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 896 F C 1.588 177.472 175.800 0.139 0.000 1.104 896 F CA 0.548 58.676 58.000 0.213 0.000 1.435 896 F CB -0.286 38.913 39.000 0.331 0.000 1.078 896 F HN 0.036 nan 8.300 nan 0.000 0.546 897 L N -0.351 121.081 121.223 0.349 0.000 2.592 897 L HA 0.303 4.643 4.340 -0.001 0.000 0.227 897 L C 1.528 178.460 176.870 0.102 0.000 1.127 897 L CA 0.259 55.237 54.840 0.229 0.000 0.884 897 L CB -0.983 41.246 42.059 0.282 0.000 1.065 897 L HN 0.180 nan 8.230 nan 0.000 0.457 898 G N 0.711 109.540 108.800 0.048 0.000 2.393 898 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.299 898 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.299 898 G C 0.091 174.960 174.900 -0.051 0.000 0.990 898 G CA 0.836 45.918 45.100 -0.029 0.000 1.118 898 G HN 0.537 nan 8.290 nan 0.000 0.513 899 Q N -1.839 117.904 119.800 -0.095 0.000 2.462 899 Q HA 0.793 5.133 4.340 -0.001 0.000 0.285 899 Q C -0.465 175.253 176.000 -0.470 0.000 1.035 899 Q CA -1.348 54.298 55.803 -0.261 0.000 0.799 899 Q CB 1.701 30.254 28.738 -0.309 0.000 1.452 899 Q HN 0.292 nan 8.270 nan 0.000 0.404 900 R N 0.468 120.657 120.500 -0.517 0.000 2.803 900 R HA 0.653 4.993 4.340 -0.001 0.000 0.276 900 R C -1.209 174.745 176.300 -0.577 0.000 0.978 900 R CA -0.585 55.228 56.100 -0.480 0.000 0.939 900 R CB 1.441 31.619 30.300 -0.203 0.000 1.179 900 R HN 0.589 nan 8.270 nan 0.000 0.472 901 Y N 0.216 120.543 120.300 0.044 0.000 2.662 901 Y HA 0.581 5.131 4.550 -0.000 0.000 0.335 901 Y C 0.007 175.934 175.900 0.045 0.000 1.066 901 Y CA -1.186 56.953 58.100 0.065 0.000 1.116 901 Y CB 1.411 40.005 38.460 0.223 0.000 1.308 901 Y HN 0.259 nan 8.280 nan 0.000 0.502 902 I N 1.466 122.200 120.570 0.273 0.000 2.495 902 I HA 0.205 4.375 4.170 -0.001 0.000 0.277 902 I C -0.638 175.646 176.117 0.278 0.000 1.045 902 I CA -0.394 61.002 61.300 0.159 0.000 1.135 902 I CB 1.426 39.459 38.000 0.055 0.000 1.241 902 I HN 0.546 nan 8.210 nan 0.000 0.469 903 S N 7.906 123.755 115.700 0.248 0.000 2.415 903 S HA 0.452 4.922 4.470 -0.001 0.000 0.313 903 S C -2.302 172.376 174.600 0.131 0.000 1.067 903 S CA -1.350 57.024 58.200 0.289 0.000 1.099 903 S CB 0.496 63.897 63.200 0.335 0.000 0.991 903 S HN 0.206 nan 8.310 nan 0.000 0.491 904 P HA 0.040 nan 4.420 nan 0.000 0.271 904 P C 0.955 178.254 177.300 -0.000 0.000 1.233 904 P CA -0.305 62.833 63.100 0.064 0.000 0.795 904 P CB 0.360 32.123 31.700 0.106 0.000 0.936 905 I N -0.467 120.048 120.570 -0.093 0.000 2.053 905 I HA -0.253 3.917 4.170 -0.001 0.000 0.236 905 I C 1.684 177.519 176.117 -0.468 0.000 1.038 905 I CA 2.254 63.346 61.300 -0.348 0.000 1.304 905 I CB -1.084 36.712 38.000 -0.339 0.000 1.023 905 I HN 0.345 nan 8.210 nan 0.000 0.395 906 F N -0.518 119.459 119.950 0.044 0.000 2.706 906 F HA 0.144 4.670 4.527 -0.001 0.000 0.313 906 F C 1.482 177.304 175.800 0.037 0.000 1.096 906 F CA 0.126 58.140 58.000 0.023 0.000 1.219 906 F CB -0.062 38.961 39.000 0.037 0.000 1.051 906 F HN 0.204 nan 8.300 nan 0.000 0.568 907 D N -0.860 119.662 120.400 0.202 0.000 2.417 907 D HA 0.166 4.806 4.640 -0.001 0.000 0.207 907 D C 1.898 178.290 176.300 0.153 0.000 1.075 907 D CA 0.400 54.499 54.000 0.164 0.000 0.851 907 D CB -0.289 40.602 40.800 0.153 0.000 0.976 907 D HN 0.047 nan 8.370 nan 0.000 0.505 908 G N 1.027 109.922 108.800 0.157 0.000 1.956 908 G HA2 0.107 4.066 3.960 -0.001 0.000 0.522 908 G HA3 0.107 4.066 3.960 -0.001 0.000 0.522 908 G C 0.561 175.528 174.900 0.112 0.000 1.379 908 G CA 0.487 45.704 45.100 0.195 0.000 1.070 908 G HN 0.543 nan 8.290 nan 0.000 0.470 909 A N -1.076 121.602 122.820 -0.237 0.000 2.407 909 A HA 0.556 4.875 4.320 -0.001 0.000 0.248 909 A C 0.289 177.596 177.584 -0.463 0.000 1.082 909 A CA 0.188 51.624 52.037 -1.002 0.000 0.785 909 A CB 0.311 18.227 19.000 -1.807 0.000 1.020 909 A HN 0.481 nan 8.150 nan 0.000 0.489 910 K N 1.442 121.641 120.400 -0.336 0.000 2.507 910 K HA 0.202 4.522 4.320 -0.001 0.000 0.252 910 K C 0.283 176.778 176.600 -0.176 0.000 0.943 910 K CA -0.507 55.673 56.287 -0.179 0.000 0.808 910 K CB 2.021 34.496 32.500 -0.043 0.000 1.142 910 K HN 0.915 nan 8.250 nan 0.000 0.426 911 E N 2.140 122.213 120.200 -0.210 0.000 2.435 911 E HA -0.285 4.064 4.350 -0.001 0.000 0.242 911 E C -1.174 175.349 176.600 -0.129 0.000 1.125 911 E CA 2.371 58.652 56.400 -0.199 0.000 1.067 911 E CB -0.334 29.262 29.700 -0.174 0.000 0.903 911 E HN 0.421 nan 8.360 nan 0.000 0.466 912 P HA -0.137 nan 4.420 nan 0.000 0.216 912 P C 0.572 177.875 177.300 0.004 0.000 1.153 912 P CA 1.486 64.566 63.100 -0.033 0.000 0.848 912 P CB 0.033 31.726 31.700 -0.012 0.000 0.787 913 E N -1.198 119.026 120.200 0.039 0.000 2.153 913 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 913 E C 1.804 178.484 176.600 0.134 0.000 0.988 913 E CA 0.708 57.196 56.400 0.146 0.000 0.811 913 E CB -0.480 29.424 29.700 0.340 0.000 0.746 913 E HN 0.137 nan 8.360 nan 0.000 0.466 914 I N 1.246 121.814 120.570 -0.002 0.000 2.333 914 I HA -0.190 3.980 4.170 -0.001 0.000 0.246 914 I C 1.653 177.762 176.117 -0.013 0.000 1.106 914 I CA 1.297 62.575 61.300 -0.036 0.000 1.411 914 I CB 0.021 37.916 38.000 -0.174 0.000 1.082 914 I HN -0.137 nan 8.210 nan 0.000 0.420 915 K N 0.184 120.556 120.400 -0.046 0.000 2.280 915 K HA -0.217 4.103 4.320 -0.001 0.000 0.202 915 K C 1.927 178.544 176.600 0.029 0.000 1.047 915 K CA 1.234 57.500 56.287 -0.034 0.000 0.942 915 K CB -0.194 32.266 32.500 -0.067 0.000 0.739 915 K HN 0.475 nan 8.250 nan 0.000 0.457 916 E N 1.191 121.420 120.200 0.048 0.000 2.046 916 E HA -0.081 4.269 4.350 -0.001 0.000 0.190 916 E C 2.032 178.701 176.600 0.116 0.000 0.982 916 E CA 0.615 57.060 56.400 0.075 0.000 0.800 916 E CB -0.075 29.673 29.700 0.080 0.000 0.756 916 E HN 0.118 nan 8.360 nan 0.000 0.449 917 L N 0.133 121.440 121.223 0.140 0.000 2.083 917 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 917 L C 2.292 179.301 176.870 0.233 0.000 1.083 917 L CA 0.559 55.514 54.840 0.190 0.000 0.752 917 L CB -0.297 41.878 42.059 0.194 0.000 0.899 917 L HN 0.232 nan 8.230 nan 0.000 0.433 918 L N -0.444 120.913 121.223 0.222 0.000 2.079 918 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 918 L C 2.701 179.781 176.870 0.349 0.000 1.081 918 L CA 1.891 56.943 54.840 0.354 0.000 0.752 918 L CB -1.033 41.177 42.059 0.253 0.000 0.896 918 L HN 0.213 nan 8.230 nan 0.000 0.433 919 A N -1.235 121.707 122.820 0.203 0.000 1.908 919 A HA -0.309 4.010 4.320 -0.001 0.000 0.218 919 A C 2.315 179.991 177.584 0.154 0.000 1.181 919 A CA 1.950 54.070 52.037 0.138 0.000 0.627 919 A CB -0.613 18.433 19.000 0.077 0.000 0.818 919 A HN 0.527 nan 8.150 nan 0.000 0.445 920 Q N -0.820 119.078 119.800 0.163 0.000 2.167 920 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 920 Q C 2.152 178.254 176.000 0.169 0.000 0.970 920 Q CA 1.254 57.151 55.803 0.157 0.000 0.855 920 Q CB -0.298 28.538 28.738 0.163 0.000 0.911 920 Q HN 0.638 nan 8.270 nan 0.000 0.438 921 A N 0.134 123.079 122.820 0.207 0.000 1.898 921 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 921 A C 1.781 179.295 177.584 -0.116 0.000 1.181 921 A CA 1.025 53.169 52.037 0.179 0.000 0.620 921 A CB -0.941 18.288 19.000 0.383 0.000 0.819 921 A HN 0.569 nan 8.150 nan 0.000 0.442 922 F N 0.646 120.351 119.950 -0.408 0.000 2.154 922 F HA -0.200 4.326 4.527 -0.002 0.000 0.301 922 F C 2.185 177.894 175.800 -0.151 0.000 1.087 922 F CA 2.161 59.807 58.000 -0.589 0.000 1.274 922 F CB -0.037 38.695 39.000 -0.446 0.000 1.009 922 F HN 0.270 nan 8.300 nan 0.000 0.485 923 E N -0.511 119.747 120.200 0.097 0.000 2.107 923 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 923 E C 2.242 178.872 176.600 0.049 0.000 0.982 923 E CA 1.002 57.464 56.400 0.103 0.000 0.809 923 E CB -0.296 29.480 29.700 0.126 0.000 0.756 923 E HN 0.240 nan 8.360 nan 0.000 0.459 924 V N 0.315 120.273 119.914 0.072 0.000 2.453 924 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 924 V C 1.949 178.125 176.094 0.137 0.000 1.048 924 V CA 1.755 64.131 62.300 0.126 0.000 1.049 924 V CB -0.524 31.438 31.823 0.231 0.000 0.672 924 V HN 0.364 nan 8.190 nan 0.000 0.457 925 Y N -0.249 119.964 120.300 -0.146 0.000 2.176 925 Y HA -0.140 4.410 4.550 -0.001 0.000 0.291 925 Y C 2.071 177.824 175.900 -0.245 0.000 1.122 925 Y CA 1.752 59.709 58.100 -0.239 0.000 1.128 925 Y CB -0.275 37.602 38.460 -0.971 0.000 1.005 925 Y HN 0.216 nan 8.280 nan 0.000 0.509 926 F N 0.367 120.090 119.950 -0.378 0.000 2.656 926 F HA 0.263 4.789 4.527 -0.000 0.000 0.291 926 F C 2.230 177.894 175.800 -0.226 0.000 1.122 926 F CA 0.741 58.483 58.000 -0.430 0.000 1.427 926 F CB -0.354 38.239 39.000 -0.679 0.000 1.125 926 F HN 0.103 nan 8.300 nan 0.000 0.583 927 G N 0.420 109.193 108.800 -0.044 0.000 2.480 927 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.216 927 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.216 927 G C 1.755 176.581 174.900 -0.122 0.000 1.200 927 G CA 0.851 45.939 45.100 -0.020 0.000 0.782 927 G HN 0.251 nan 8.290 nan 0.000 0.554 928 K N -0.123 120.204 120.400 -0.123 0.000 2.074 928 K HA -0.120 4.200 4.320 -0.001 0.000 0.209 928 K C 2.595 179.061 176.600 -0.224 0.000 1.048 928 K CA 1.216 57.423 56.287 -0.134 0.000 0.926 928 K CB -0.153 32.292 32.500 -0.092 0.000 0.713 928 K HN 0.202 nan 8.250 nan 0.000 0.444 929 R N 1.212 121.490 120.500 -0.370 0.000 2.117 929 R HA -0.195 4.145 4.340 -0.001 0.000 0.243 929 R C 1.785 177.813 176.300 -0.453 0.000 1.143 929 R CA 1.860 57.664 56.100 -0.493 0.000 0.968 929 R CB 0.058 29.815 30.300 -0.905 0.000 0.863 929 R HN 0.133 nan 8.270 nan 0.000 0.444 930 K N -1.082 119.052 120.400 -0.443 0.000 1.985 930 K HA -0.070 4.250 4.320 -0.001 0.000 0.210 930 K C 2.154 178.649 176.600 -0.175 0.000 1.047 930 K CA 1.439 57.577 56.287 -0.248 0.000 0.932 930 K CB -0.400 32.038 32.500 -0.104 0.000 0.716 930 K HN 0.321 nan 8.250 nan 0.000 0.439 931 G N 1.557 110.267 108.800 -0.151 0.000 2.404 931 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.215 931 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.215 931 G C 1.153 175.952 174.900 -0.169 0.000 1.174 931 G CA 0.615 45.638 45.100 -0.128 0.000 0.780 931 G HN 0.318 nan 8.290 nan 0.000 0.537 932 E N -0.188 119.898 120.200 -0.190 0.000 2.333 932 E HA 0.035 4.384 4.350 -0.001 0.000 0.200 932 E C 1.939 178.317 176.600 -0.371 0.000 1.010 932 E CA 0.557 56.827 56.400 -0.216 0.000 0.841 932 E CB -0.113 29.486 29.700 -0.169 0.000 0.757 932 E HN 0.539 nan 8.360 nan 0.000 0.508 933 G N -0.715 107.837 108.800 -0.413 0.000 2.296 933 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.188 933 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.188 933 G C -0.017 174.461 174.900 -0.703 0.000 1.000 933 G CA -0.415 44.310 45.100 -0.625 0.000 0.672 933 G HN 0.166 nan 8.290 nan 0.000 0.483 934 F N -0.147 119.744 119.950 -0.099 0.000 2.611 934 F HA 0.715 5.243 4.527 0.001 0.000 0.324 934 F C 1.213 176.954 175.800 -0.098 0.000 1.061 934 F CA -0.452 57.503 58.000 -0.074 0.000 0.954 934 F CB 1.685 40.648 39.000 -0.061 0.000 1.301 934 F HN 0.156 nan 8.300 nan 0.000 0.482 935 G N 0.044 108.980 108.800 0.225 0.000 3.374 935 G HA2 0.529 4.489 3.960 -0.001 0.000 0.200 935 G HA3 0.529 4.489 3.960 -0.001 0.000 0.200 935 G C -0.733 174.329 174.900 0.270 0.000 1.801 935 G CA -0.072 45.151 45.100 0.205 0.000 0.842 935 G HN 0.651 nan 8.290 nan 0.000 0.688 936 V N -1.079 118.995 119.914 0.267 0.000 2.628 936 V HA 0.623 4.743 4.120 -0.001 0.000 0.306 936 V C -1.011 175.185 176.094 0.169 0.000 1.045 936 V CA -1.017 61.441 62.300 0.262 0.000 0.905 936 V CB 1.576 33.549 31.823 0.250 0.000 0.997 936 V HN 0.371 nan 8.190 nan 0.000 0.436 937 D N 2.021 122.525 120.400 0.174 0.000 2.371 937 D HA 0.285 4.925 4.640 -0.001 0.000 0.242 937 D C 1.059 177.425 176.300 0.110 0.000 1.218 937 D CA -0.116 53.960 54.000 0.126 0.000 0.945 937 D CB 1.050 41.959 40.800 0.181 0.000 1.137 937 D HN 0.667 nan 8.370 nan 0.000 0.464 938 K N 0.310 120.755 120.400 0.074 0.000 2.148 938 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 938 K C 1.847 178.499 176.600 0.086 0.000 1.050 938 K CA 0.919 57.245 56.287 0.064 0.000 0.942 938 K CB 0.148 32.670 32.500 0.037 0.000 0.724 938 K HN 0.274 nan 8.250 nan 0.000 0.446 939 R N 0.761 121.334 120.500 0.123 0.000 2.062 939 R HA -0.086 4.254 4.340 -0.001 0.000 0.231 939 R C 2.145 178.551 176.300 0.178 0.000 1.136 939 R CA 1.258 57.465 56.100 0.178 0.000 0.948 939 R CB -0.224 30.265 30.300 0.315 0.000 0.845 939 R HN 0.212 nan 8.270 nan 0.000 0.430 940 E N 0.439 120.768 120.200 0.214 0.000 2.118 940 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 940 E C 2.006 178.673 176.600 0.111 0.000 0.992 940 E CA 1.424 57.923 56.400 0.166 0.000 0.804 940 E CB 0.023 29.849 29.700 0.211 0.000 0.741 940 E HN 0.120 nan 8.360 nan 0.000 0.458 941 V N 0.988 120.963 119.914 0.102 0.000 2.488 941 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 941 V C 2.274 178.402 176.094 0.056 0.000 1.046 941 V CA 1.676 64.019 62.300 0.072 0.000 1.053 941 V CB -0.290 31.573 31.823 0.067 0.000 0.679 941 V HN 0.269 nan 8.190 nan 0.000 0.458 942 E N 0.038 120.276 120.200 0.063 0.000 2.058 942 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 942 E C 2.283 178.906 176.600 0.039 0.000 0.997 942 E CA 1.757 58.186 56.400 0.049 0.000 0.801 942 E CB -0.175 29.558 29.700 0.055 0.000 0.746 942 E HN 0.349 nan 8.360 nan 0.000 0.450 943 V N 0.814 120.755 119.914 0.044 0.000 2.490 943 V HA -0.203 3.916 4.120 -0.001 0.000 0.250 943 V C 2.153 178.257 176.094 0.018 0.000 1.061 943 V CA 1.415 63.730 62.300 0.025 0.000 1.064 943 V CB -0.254 31.578 31.823 0.015 0.000 0.670 943 V HN 0.340 nan 8.190 nan 0.000 0.461 944 L N -0.099 121.139 121.223 0.025 0.000 2.131 944 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 944 L C 2.707 179.583 176.870 0.009 0.000 1.092 944 L CA 2.047 56.896 54.840 0.015 0.000 0.759 944 L CB -0.553 41.518 42.059 0.020 0.000 0.903 944 L HN 0.358 nan 8.230 nan 0.000 0.435 945 R N 0.405 120.913 120.500 0.015 0.000 2.081 945 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 945 R C 2.109 178.413 176.300 0.006 0.000 1.131 945 R CA 1.341 57.448 56.100 0.011 0.000 0.960 945 R CB -0.054 30.256 30.300 0.015 0.000 0.856 945 R HN 0.214 nan 8.270 nan 0.000 0.436 946 R N -0.547 119.957 120.500 0.006 0.000 2.310 946 R HA 0.123 4.463 4.340 -0.001 0.000 0.202 946 R C 1.339 177.637 176.300 -0.004 0.000 0.933 946 R CA 0.477 56.578 56.100 0.001 0.000 1.054 946 R CB 0.527 30.828 30.300 0.002 0.000 0.985 946 R HN 0.293 nan 8.270 nan 0.000 0.489 947 A N 1.106 123.923 122.820 -0.005 0.000 1.942 947 A HA -0.084 4.235 4.320 -0.001 0.000 0.209 947 A C 1.938 179.514 177.584 -0.014 0.000 1.214 947 A CA 0.440 52.471 52.037 -0.011 0.000 0.686 947 A CB 0.011 19.005 19.000 -0.011 0.000 0.871 947 A HN 0.371 nan 8.150 nan 0.000 0.460 948 E N 0.516 120.710 120.200 -0.011 0.000 2.107 948 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 948 E C 1.566 178.159 176.600 -0.011 0.000 0.982 948 E CA 1.181 57.573 56.400 -0.013 0.000 0.809 948 E CB -0.302 29.392 29.700 -0.011 0.000 0.756 948 E HN 0.459 nan 8.360 nan 0.000 0.459 949 K N 0.130 120.525 120.400 -0.008 0.000 2.360 949 K HA -0.075 4.245 4.320 -0.001 0.000 0.201 949 K C 1.913 178.508 176.600 -0.009 0.000 1.046 949 K CA 0.506 56.789 56.287 -0.007 0.000 0.945 949 K CB 0.011 32.509 32.500 -0.004 0.000 0.750 949 K HN 0.238 nan 8.250 nan 0.000 0.464 950 L N -0.380 120.836 121.223 -0.011 0.000 2.130 950 L HA 0.045 4.385 4.340 -0.001 0.000 0.200 950 L C 1.080 177.940 176.870 -0.017 0.000 1.075 950 L CA 2.143 56.975 54.840 -0.013 0.000 0.768 950 L CB -0.454 41.596 42.059 -0.015 0.000 0.933 950 L HN 0.425 nan 8.230 nan 0.000 0.451 951 G N -0.952 107.836 108.800 -0.019 0.000 2.188 951 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.112 951 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.112 951 G C 0.382 175.264 174.900 -0.029 0.000 1.048 951 G CA 0.079 45.166 45.100 -0.023 0.000 0.720 951 G HN 0.174 nan 8.290 nan 0.000 0.487 952 L N -0.092 121.112 121.223 -0.031 0.000 2.609 952 L HA 0.337 4.677 4.340 -0.001 0.000 0.230 952 L C 1.073 177.916 176.870 -0.044 0.000 1.087 952 L CA 0.971 55.787 54.840 -0.039 0.000 0.874 952 L CB 0.232 42.269 42.059 -0.038 0.000 1.114 952 L HN 0.479 nan 8.230 nan 0.000 0.488 953 V N -2.100 117.791 119.914 -0.038 0.000 2.588 953 V HA 0.439 4.559 4.120 -0.001 0.000 0.304 953 V C 0.411 176.482 176.094 -0.037 0.000 1.042 953 V CA -0.932 61.342 62.300 -0.043 0.000 0.877 953 V CB 0.898 32.697 31.823 -0.039 0.000 0.996 953 V HN 0.340 nan 8.190 nan 0.000 0.425 954 T N 2.594 117.123 114.554 -0.042 0.000 2.751 954 T HA 0.260 4.610 4.350 -0.001 0.000 0.279 954 T C -2.038 172.644 174.700 -0.029 0.000 0.941 954 T CA -0.722 61.357 62.100 -0.035 0.000 1.192 954 T CB -0.177 68.668 68.868 -0.039 0.000 0.883 954 T HN 0.659 nan 8.240 nan 0.000 0.534 955 P HA 0.273 nan 4.420 nan 0.000 0.265 955 P C 1.283 178.574 177.300 -0.015 0.000 1.187 955 P CA 1.072 64.163 63.100 -0.016 0.000 0.766 955 P CB 0.147 31.840 31.700 -0.013 0.000 0.820 956 G N 1.149 109.942 108.800 -0.012 0.000 2.279 956 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.223 956 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.223 956 G C 0.383 175.276 174.900 -0.012 0.000 1.015 956 G CA -0.173 44.921 45.100 -0.010 0.000 0.621 956 G HN 0.547 nan 8.290 nan 0.000 0.506 957 K N 0.561 120.949 120.400 -0.019 0.000 2.140 957 K HA 0.516 4.836 4.320 -0.001 0.000 0.237 957 K C 0.607 177.196 176.600 -0.018 0.000 1.045 957 K CA 0.436 56.709 56.287 -0.023 0.000 0.896 957 K CB 0.459 32.936 32.500 -0.039 0.000 1.122 957 K HN 0.163 nan 8.250 nan 0.000 0.503 958 T N 0.096 114.638 114.554 -0.020 0.000 2.913 958 T HA 0.182 4.532 4.350 -0.001 0.000 0.287 958 T C -1.972 172.716 174.700 -0.021 0.000 1.008 958 T CA -2.118 59.976 62.100 -0.009 0.000 1.067 958 T CB 0.926 69.796 68.868 0.003 0.000 0.996 958 T HN 0.171 nan 8.240 nan 0.000 0.513 959 P HA -0.087 nan 4.420 nan 0.000 0.216 959 P C 1.225 178.490 177.300 -0.058 0.000 1.153 959 P CA 1.061 64.155 63.100 -0.010 0.000 0.858 959 P CB 0.147 31.866 31.700 0.031 0.000 0.789 960 E N -0.622 119.543 120.200 -0.059 0.000 2.150 960 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 960 E C 1.702 178.209 176.600 -0.155 0.000 0.985 960 E CA 0.846 57.159 56.400 -0.145 0.000 0.814 960 E CB -0.067 29.619 29.700 -0.022 0.000 0.752 960 E HN 0.144 nan 8.360 nan 0.000 0.466 961 E N 0.328 120.458 120.200 -0.117 0.000 2.170 961 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 961 E C 2.010 178.495 176.600 -0.192 0.000 0.981 961 E CA 0.567 56.873 56.400 -0.156 0.000 0.830 961 E CB 0.031 29.676 29.700 -0.091 0.000 0.775 961 E HN 0.399 nan 8.360 nan 0.000 0.470 962 Q N 0.196 119.916 119.800 -0.133 0.000 2.079 962 Q HA -0.028 4.311 4.340 -0.001 0.000 0.200 962 Q C 2.387 178.306 176.000 -0.135 0.000 0.974 962 Q CA 0.771 56.507 55.803 -0.111 0.000 0.840 962 Q CB 0.015 28.718 28.738 -0.059 0.000 0.898 962 Q HN 0.262 nan 8.270 nan 0.000 0.430 963 L N 0.690 121.836 121.223 -0.127 0.000 2.131 963 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 963 L C 2.507 179.198 176.870 -0.298 0.000 1.092 963 L CA 1.190 56.004 54.840 -0.044 0.000 0.759 963 L CB -0.508 41.627 42.059 0.127 0.000 0.903 963 L HN 0.238 nan 8.230 nan 0.000 0.435 964 K N 0.575 120.421 120.400 -0.924 0.000 2.026 964 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 964 K C 1.959 178.230 176.600 -0.547 0.000 1.048 964 K CA 1.519 56.914 56.287 -1.487 0.000 0.929 964 K CB 0.043 31.826 32.500 -1.195 0.000 0.713 964 K HN 0.254 nan 8.250 nan 0.000 0.439 965 E N 0.304 120.301 120.200 -0.339 0.000 2.033 965 E HA -0.236 4.113 4.350 -0.001 0.000 0.199 965 E C 2.051 178.580 176.600 -0.118 0.000 1.011 965 E CA 1.417 57.708 56.400 -0.183 0.000 0.815 965 E CB -0.103 29.513 29.700 -0.140 0.000 0.755 965 E HN 0.156 nan 8.360 nan 0.000 0.451 966 L N -0.008 121.161 121.223 -0.090 0.000 2.042 966 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 966 L C 2.123 178.991 176.870 -0.003 0.000 1.076 966 L CA 1.586 56.404 54.840 -0.037 0.000 0.749 966 L CB -0.439 41.617 42.059 -0.005 0.000 0.893 966 L HN 0.166 nan 8.230 nan 0.000 0.432 967 F N -0.949 118.932 119.950 -0.116 0.000 2.146 967 F HA -0.179 4.347 4.527 -0.002 0.000 0.298 967 F C 2.150 177.901 175.800 -0.082 0.000 1.096 967 F CA 1.284 59.247 58.000 -0.062 0.000 1.275 967 F CB -0.080 38.977 39.000 0.094 0.000 1.008 967 F HN -0.063 nan 8.300 nan 0.000 0.480 968 L N -0.102 121.169 121.223 0.080 0.000 2.187 968 L HA -0.254 4.086 4.340 -0.001 0.000 0.213 968 L C 2.069 178.853 176.870 -0.143 0.000 1.100 968 L CA 1.280 56.113 54.840 -0.011 0.000 0.765 968 L CB -0.807 41.224 42.059 -0.046 0.000 0.904 968 L HN 0.304 nan 8.230 nan 0.000 0.437 969 Q N -0.463 119.244 119.800 -0.154 0.000 2.472 969 Q HA -0.027 4.312 4.340 -0.001 0.000 0.208 969 Q C 1.560 177.399 176.000 -0.268 0.000 0.958 969 Q CA 0.674 56.355 55.803 -0.204 0.000 0.932 969 Q CB 0.242 28.900 28.738 -0.133 0.000 1.007 969 Q HN 0.677 nan 8.270 nan 0.000 0.508 970 G N 1.506 110.146 108.800 -0.266 0.000 2.195 970 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.246 970 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.246 970 G C -0.111 174.695 174.900 -0.156 0.000 0.984 970 G CA 0.143 45.164 45.100 -0.133 0.000 0.633 970 G HN 0.327 nan 8.290 nan 0.000 0.525 971 K N 0.386 120.687 120.400 -0.165 0.000 2.207 971 K HA 0.800 5.119 4.320 -0.001 0.000 0.255 971 K C 0.081 176.599 176.600 -0.137 0.000 0.941 971 K CA -0.519 55.689 56.287 -0.131 0.000 0.825 971 K CB 3.197 35.661 32.500 -0.060 0.000 1.119 971 K HN 0.786 nan 8.250 nan 0.000 0.430 972 V N -1.186 118.664 119.914 -0.107 0.000 3.158 972 V HA 0.530 4.650 4.120 -0.001 0.000 0.315 972 V C -0.288 175.784 176.094 -0.035 0.000 1.148 972 V CA -1.020 61.261 62.300 -0.032 0.000 1.042 972 V CB 1.797 33.604 31.823 -0.027 0.000 1.101 972 V HN 0.517 nan 8.190 nan 0.000 0.448 973 V N 2.336 122.234 119.914 -0.025 0.000 2.583 973 V HA 0.451 4.571 4.120 -0.001 0.000 0.287 973 V C -0.144 175.799 176.094 -0.251 0.000 1.051 973 V CA -0.094 62.134 62.300 -0.120 0.000 1.010 973 V CB 0.680 32.429 31.823 -0.124 0.000 0.988 973 V HN 0.680 nan 8.190 nan 0.000 0.478 974 L N 4.886 125.930 121.223 -0.298 0.000 2.386 974 L HA 0.567 4.906 4.340 -0.001 0.000 0.271 974 L C -0.625 175.987 176.870 -0.429 0.000 0.993 974 L CA -0.282 54.344 54.840 -0.356 0.000 0.819 974 L CB 1.827 43.799 42.059 -0.145 0.000 1.294 974 L HN 0.528 nan 8.230 nan 0.000 0.414 975 Y N 0.595 120.742 120.300 -0.256 0.000 2.403 975 Y HA 0.257 4.805 4.550 -0.004 0.000 0.323 975 Y C 1.195 176.929 175.900 -0.276 0.000 1.226 975 Y CA -0.580 57.338 58.100 -0.303 0.000 1.235 975 Y CB 0.725 38.937 38.460 -0.414 0.000 1.248 975 Y HN 0.595 nan 8.280 nan 0.000 0.489 976 D N 1.071 121.513 120.400 0.069 0.000 2.088 976 D HA -0.142 4.498 4.640 -0.001 0.000 0.191 976 D C 1.855 178.282 176.300 0.210 0.000 0.992 976 D CA 2.559 56.614 54.000 0.091 0.000 0.831 976 D CB -0.218 40.627 40.800 0.076 0.000 0.973 976 D HN 0.958 nan 8.370 nan 0.000 0.447 977 G N -0.073 108.927 108.800 0.334 0.000 2.313 977 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.215 977 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.215 977 G C 1.214 176.243 174.900 0.216 0.000 1.023 977 G CA 0.529 45.892 45.100 0.439 0.000 0.626 977 G HN 0.507 nan 8.290 nan 0.000 0.503 978 R N -0.184 120.419 120.500 0.171 0.000 2.362 978 R HA 0.505 4.845 4.340 -0.001 0.000 0.227 978 R C 1.542 177.891 176.300 0.083 0.000 0.905 978 R CA 1.188 57.356 56.100 0.113 0.000 1.067 978 R CB 0.314 30.681 30.300 0.111 0.000 1.078 978 R HN 0.321 nan 8.270 nan 0.000 0.516 979 T N -1.698 112.913 114.554 0.094 0.000 3.073 979 T HA 0.242 4.591 4.350 -0.001 0.000 0.264 979 T C 1.117 175.861 174.700 0.074 0.000 0.893 979 T CA 0.709 62.848 62.100 0.066 0.000 0.863 979 T CB 0.530 69.426 68.868 0.047 0.000 1.247 979 T HN 0.433 nan 8.240 nan 0.000 0.546 980 G N 1.561 110.438 108.800 0.129 0.000 2.363 980 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.238 980 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.238 980 G C 0.055 175.000 174.900 0.076 0.000 1.062 980 G CA 0.526 45.693 45.100 0.112 0.000 0.629 980 G HN 0.607 nan 8.290 nan 0.000 0.514 981 E N 2.445 122.692 120.200 0.079 0.000 2.422 981 E HA 0.404 4.754 4.350 -0.001 0.000 0.260 981 E C -1.749 174.953 176.600 0.171 0.000 1.108 981 E CA -0.478 55.978 56.400 0.094 0.000 0.943 981 E CB 0.808 30.543 29.700 0.058 0.000 0.961 981 E HN 0.368 nan 8.360 nan 0.000 0.443 982 P HA 0.176 nan 4.420 nan 0.000 0.281 982 P C -0.641 176.689 177.300 0.049 0.000 1.264 982 P CA -0.138 63.063 63.100 0.169 0.000 0.824 982 P CB 0.635 32.441 31.700 0.175 0.000 1.092 983 I N 1.346 121.909 120.570 -0.011 0.000 2.287 983 I HA 0.077 4.247 4.170 -0.001 0.000 0.290 983 I C 0.658 176.761 176.117 -0.022 0.000 1.069 983 I CA -0.534 60.751 61.300 -0.025 0.000 1.237 983 I CB -0.167 37.806 38.000 -0.044 0.000 1.418 983 I HN 0.377 nan 8.210 nan 0.000 0.481 984 E N 6.402 126.597 120.200 -0.009 0.000 3.288 984 E HA 0.172 4.522 4.350 -0.001 0.000 0.237 984 E C 0.527 177.119 176.600 -0.013 0.000 0.958 984 E CA 0.144 56.540 56.400 -0.006 0.000 0.947 984 E CB -0.362 29.336 29.700 -0.004 0.000 0.896 984 E HN 0.856 nan 8.360 nan 0.000 0.566 985 G N 2.887 111.678 108.800 -0.014 0.000 2.911 985 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.686 985 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.686 985 G C -2.851 172.034 174.900 -0.026 0.000 1.136 985 G CA -1.154 43.935 45.100 -0.018 0.000 0.764 985 G HN 0.372 nan 8.290 nan 0.000 0.626 986 P HA 0.496 nan 4.420 nan 0.000 0.269 986 P C 0.128 177.407 177.300 -0.036 0.000 1.209 986 P CA -0.064 63.016 63.100 -0.034 0.000 0.776 986 P CB 0.581 32.263 31.700 -0.030 0.000 0.876 987 I N 1.850 122.394 120.570 -0.043 0.000 2.498 987 I HA 0.270 4.440 4.170 -0.001 0.000 0.290 987 I C 0.347 176.434 176.117 -0.050 0.000 1.032 987 I CA -1.337 59.941 61.300 -0.037 0.000 1.073 987 I CB 2.056 40.039 38.000 -0.028 0.000 1.251 987 I HN 0.136 nan 8.210 nan 0.000 0.426 988 V N 7.237 127.121 119.914 -0.050 0.000 3.051 988 V HA 0.678 4.798 4.120 -0.001 0.000 0.306 988 V C -0.238 175.804 176.094 -0.087 0.000 1.083 988 V CA 0.121 62.374 62.300 -0.079 0.000 1.104 988 V CB 1.624 33.393 31.823 -0.090 0.000 1.027 988 V HN 0.662 nan 8.190 nan 0.000 0.483 989 V N 1.185 121.034 119.914 -0.108 0.000 3.242 989 V HA 1.109 5.229 4.120 -0.001 0.000 0.298 989 V C -0.126 175.918 176.094 -0.083 0.000 1.352 989 V CA 0.095 62.347 62.300 -0.080 0.000 1.052 989 V CB 1.008 32.803 31.823 -0.047 0.000 1.101 989 V HN 2.229 nan 8.190 nan 0.000 0.446 990 G N 0.688 109.448 108.800 -0.067 0.000 2.324 990 G HA2 0.379 4.338 3.960 -0.001 0.000 0.293 990 G HA3 0.379 4.338 3.960 -0.001 0.000 0.293 990 G C -1.723 173.177 174.900 -0.001 0.000 1.297 990 G CA -0.753 44.331 45.100 -0.027 0.000 0.853 990 G HN 0.907 nan 8.290 nan 0.000 0.535 991 Q N 0.574 120.422 119.800 0.080 0.000 2.472 991 Q HA 0.363 4.703 4.340 -0.001 0.000 0.227 991 Q C 0.112 176.202 176.000 0.150 0.000 1.156 991 Q CA 0.070 55.951 55.803 0.130 0.000 0.924 991 Q CB 0.982 29.849 28.738 0.215 0.000 1.354 991 Q HN 0.502 nan 8.270 nan 0.000 0.525 992 M N 2.976 122.653 119.600 0.129 0.000 2.300 992 M HA 0.362 4.841 4.480 -0.001 0.000 0.348 992 M C -1.185 175.247 176.300 0.219 0.000 1.151 992 M CA -0.787 54.610 55.300 0.162 0.000 1.046 992 M CB 0.815 33.484 32.600 0.115 0.000 1.647 992 M HN 0.479 nan 8.290 nan 0.000 0.451 993 F N 6.304 126.296 119.950 0.071 0.000 2.427 993 F HA 0.587 5.114 4.527 -0.001 0.000 0.352 993 F C -1.276 174.567 175.800 0.073 0.000 1.100 993 F CA -0.179 57.864 58.000 0.072 0.000 1.191 993 F CB 0.474 39.487 39.000 0.023 0.000 1.128 993 F HN 0.450 nan 8.300 nan 0.000 0.533 994 I N 7.622 127.964 120.570 -0.381 0.000 2.607 994 I HA 0.301 4.471 4.170 -0.001 0.000 0.290 994 I C -0.728 175.142 176.117 -0.411 0.000 1.129 994 I CA -0.775 60.377 61.300 -0.246 0.000 1.042 994 I CB 2.122 40.089 38.000 -0.054 0.000 1.242 994 I HN 0.581 nan 8.210 nan 0.000 0.421 995 M N 4.561 123.968 119.600 -0.322 0.000 2.706 995 M HA 0.554 5.034 4.480 -0.001 0.000 0.304 995 M C -0.531 175.585 176.300 -0.307 0.000 1.217 995 M CA -0.815 54.322 55.300 -0.273 0.000 0.922 995 M CB 1.690 34.223 32.600 -0.111 0.000 1.637 995 M HN 0.367 nan 8.290 nan 0.000 0.492 996 K N 1.438 121.668 120.400 -0.282 0.000 2.182 996 K HA 0.648 4.968 4.320 -0.001 0.000 0.262 996 K C -1.693 174.815 176.600 -0.154 0.000 0.957 996 K CA -0.546 55.567 56.287 -0.291 0.000 0.842 996 K CB 1.347 33.654 32.500 -0.322 0.000 1.099 996 K HN 0.759 nan 8.250 nan 0.000 0.438 997 L N 3.895 125.018 121.223 -0.166 0.000 2.360 997 L HA 0.310 4.650 4.340 -0.001 0.000 0.271 997 L C -0.094 176.695 176.870 -0.136 0.000 1.057 997 L CA -1.260 53.525 54.840 -0.093 0.000 0.803 997 L CB 0.860 42.875 42.059 -0.072 0.000 1.207 997 L HN 0.688 nan 8.230 nan 0.000 0.445 998 Y N 2.119 122.345 120.300 -0.123 0.000 2.620 998 Y HA -0.025 4.524 4.550 -0.001 0.000 0.330 998 Y C 0.181 176.028 175.900 -0.088 0.000 1.186 998 Y CA -0.016 58.041 58.100 -0.071 0.000 1.467 998 Y CB 0.085 38.551 38.460 0.010 0.000 1.262 998 Y HN 0.347 nan 8.280 nan 0.000 0.550 999 H N 7.849 126.484 119.070 -0.725 0.000 2.723 999 H HA 0.132 4.688 4.556 -0.001 0.000 0.294 999 H C 0.415 175.203 175.328 -0.899 0.000 1.079 999 H CA -0.260 55.424 56.048 -0.607 0.000 1.411 999 H CB 0.622 30.138 29.762 -0.410 0.000 1.439 999 H HN 0.711 nan 8.280 nan 0.000 0.474 1000 M N 2.473 121.905 119.600 -0.280 0.000 2.113 1000 M HA -0.075 4.405 4.480 -0.001 0.000 0.288 1000 M C 1.804 178.076 176.300 -0.047 0.000 1.225 1000 M CA -0.007 55.259 55.300 -0.056 0.000 1.148 1000 M CB 0.759 33.421 32.600 0.103 0.000 1.388 1000 M HN 0.484 nan 8.290 nan 0.000 0.469 1001 V N -0.378 119.567 119.914 0.051 0.000 3.026 1001 V HA -0.163 3.957 4.120 -0.001 0.000 0.265 1001 V C 1.824 177.944 176.094 0.043 0.000 1.121 1001 V CA 1.812 64.135 62.300 0.039 0.000 1.142 1001 V CB -1.382 30.488 31.823 0.079 0.000 0.730 1001 V HN 0.966 nan 8.190 nan 0.000 0.503 1002 E N 1.642 121.880 120.200 0.063 0.000 2.046 1002 E HA -0.341 4.009 4.350 -0.001 0.000 0.190 1002 E C 1.915 178.514 176.600 -0.002 0.000 0.982 1002 E CA 1.817 58.284 56.400 0.110 0.000 0.800 1002 E CB -0.545 29.210 29.700 0.093 0.000 0.756 1002 E HN 0.573 nan 8.360 nan 0.000 0.449 1003 D N 1.335 121.704 120.400 -0.051 0.000 2.242 1003 D HA -0.248 4.391 4.640 -0.001 0.000 0.190 1003 D C 0.517 176.686 176.300 -0.218 0.000 1.012 1003 D CA 1.506 55.427 54.000 -0.132 0.000 0.875 1003 D CB -0.427 40.256 40.800 -0.195 0.000 0.922 1003 D HN 0.081 nan 8.370 nan 0.000 0.448 1004 K N 0.566 120.822 120.400 -0.240 0.000 2.264 1004 K HA -0.104 4.216 4.320 -0.001 0.000 0.262 1004 K C 0.043 176.344 176.600 -0.497 0.000 1.247 1004 K CA -0.102 56.009 56.287 -0.293 0.000 1.248 1004 K CB -0.406 31.970 32.500 -0.205 0.000 0.825 1004 K HN 0.342 nan 8.250 nan 0.000 0.468 1005 M N 3.494 122.872 119.600 -0.371 0.000 2.513 1005 M HA 0.036 4.516 4.480 -0.001 0.000 0.341 1005 M C -0.912 174.983 176.300 -0.676 0.000 1.689 1005 M CA 0.271 55.341 55.300 -0.384 0.000 1.202 1005 M CB 0.017 32.467 32.600 -0.250 0.000 1.996 1005 M HN 0.314 nan 8.290 nan 0.000 0.458 1006 H N 2.967 121.717 119.070 -0.533 0.000 2.615 1006 H HA 0.714 5.270 4.556 -0.001 0.000 0.363 1006 H C -0.349 174.540 175.328 -0.732 0.000 1.148 1006 H CA 0.293 55.763 56.048 -0.965 0.000 1.401 1006 H CB 0.888 30.422 29.762 -0.379 0.000 1.461 1006 H HN 0.892 nan 8.280 nan 0.000 0.588 1007 A N 2.552 124.941 122.820 -0.719 0.000 2.485 1007 A HA 0.501 4.821 4.320 -0.001 0.000 0.285 1007 A C -0.848 176.709 177.584 -0.046 0.000 1.045 1007 A CA -0.730 51.143 52.037 -0.272 0.000 0.792 1007 A CB 1.078 19.937 19.000 -0.235 0.000 1.307 1007 A HN 0.754 nan 8.150 nan 0.000 0.406 1008 R N 2.013 122.527 120.500 0.024 0.000 2.575 1008 R HA 0.657 4.997 4.340 -0.001 0.000 0.293 1008 R C 0.342 176.667 176.300 0.043 0.000 0.983 1008 R CA 0.194 56.343 56.100 0.082 0.000 0.887 1008 R CB 2.090 32.441 30.300 0.085 0.000 1.184 1008 R HN 0.771 nan 8.270 nan 0.000 0.445 1009 S N 1.968 117.694 115.700 0.043 0.000 2.338 1009 S HA 0.240 4.710 4.470 -0.001 0.000 0.197 1009 S C 0.097 174.698 174.600 0.003 0.000 0.990 1009 S CA 0.824 59.044 58.200 0.033 0.000 0.920 1009 S CB 0.265 63.491 63.200 0.043 0.000 0.903 1009 S HN 0.681 nan 8.310 nan 0.000 0.542 1010 T N -0.093 114.435 114.554 -0.043 0.000 2.896 1010 T HA 0.738 5.088 4.350 -0.001 0.000 0.297 1010 T C -0.264 174.361 174.700 -0.124 0.000 1.108 1010 T CA -0.149 61.896 62.100 -0.092 0.000 1.004 1010 T CB 1.595 70.330 68.868 -0.222 0.000 1.159 1010 T HN 0.722 nan 8.240 nan 0.000 0.499 1011 G N 0.935 109.614 108.800 -0.200 0.000 2.435 1011 G HA2 0.603 4.562 3.960 -0.001 0.000 0.296 1011 G HA3 0.603 4.562 3.960 -0.001 0.000 0.296 1011 G C -3.194 171.485 174.900 -0.368 0.000 1.240 1011 G CA -0.734 44.228 45.100 -0.229 0.000 0.872 1011 G HN 0.594 nan 8.290 nan 0.000 0.480 1012 P HA 0.479 nan 4.420 nan 0.000 0.274 1012 P C -1.272 175.670 177.300 -0.596 0.000 1.264 1012 P CA 0.130 63.083 63.100 -0.246 0.000 0.795 1012 P CB 0.253 31.871 31.700 -0.138 0.000 1.064 1013 Y N -2.775 117.513 120.300 -0.021 0.000 2.625 1013 Y HA 0.411 4.960 4.550 -0.001 0.000 0.338 1013 Y C 0.473 176.365 175.900 -0.013 0.000 1.123 1013 Y CA -0.810 57.280 58.100 -0.016 0.000 1.046 1013 Y CB 1.372 39.822 38.460 -0.017 0.000 1.299 1013 Y HN 0.157 nan 8.280 nan 0.000 0.464 1014 S N 0.779 116.575 115.700 0.160 0.000 2.584 1014 S HA 0.183 4.652 4.470 -0.001 0.000 0.273 1014 S C 0.809 175.454 174.600 0.076 0.000 1.311 1014 S CA -0.475 57.774 58.200 0.081 0.000 1.034 1014 S CB 0.647 63.880 63.200 0.056 0.000 0.939 1014 S HN 0.692 nan 8.310 nan 0.000 0.513 1015 L N 5.447 126.697 121.223 0.045 0.000 1.994 1015 L HA -0.030 4.310 4.340 -0.001 0.000 0.208 1015 L C 1.989 178.872 176.870 0.022 0.000 1.071 1015 L CA 1.891 56.749 54.840 0.031 0.000 0.745 1015 L CB -0.445 41.624 42.059 0.018 0.000 0.892 1015 L HN 0.873 nan 8.230 nan 0.000 0.431 1016 I N -3.004 117.577 120.570 0.019 0.000 2.429 1016 I HA 0.029 4.199 4.170 -0.001 0.000 0.247 1016 I C 1.099 177.226 176.117 0.018 0.000 1.099 1016 I CA 1.018 62.325 61.300 0.012 0.000 1.422 1016 I CB -1.766 36.238 38.000 0.007 0.000 1.112 1016 I HN 0.383 nan 8.210 nan 0.000 0.430 1017 T N 1.522 116.093 114.554 0.028 0.000 2.781 1017 T HA 0.327 4.677 4.350 -0.001 0.000 0.305 1017 T C -0.151 174.583 174.700 0.057 0.000 1.001 1017 T CA -0.412 61.710 62.100 0.037 0.000 0.950 1017 T CB 0.849 69.737 68.868 0.034 0.000 0.955 1017 T HN 0.238 nan 8.240 nan 0.000 0.471 1018 Q N 3.820 123.651 119.800 0.051 0.000 2.553 1018 Q HA 0.259 4.599 4.340 -0.001 0.000 0.221 1018 Q C -0.200 175.883 176.000 0.138 0.000 1.219 1018 Q CA -0.071 55.779 55.803 0.079 0.000 0.955 1018 Q CB 0.291 29.025 28.738 -0.007 0.000 1.399 1018 Q HN 0.702 nan 8.270 nan 0.000 0.551 1019 Q N 2.402 122.326 119.800 0.205 0.000 2.377 1019 Q HA 0.481 4.820 4.340 -0.001 0.000 0.271 1019 Q C -2.476 173.674 176.000 0.251 0.000 1.077 1019 Q CA -2.668 53.276 55.803 0.235 0.000 0.820 1019 Q CB 1.548 30.353 28.738 0.112 0.000 1.347 1019 Q HN 0.290 nan 8.270 nan 0.000 0.444 1020 P HA -0.127 nan 4.420 nan 0.000 0.263 1020 P C -1.288 175.908 177.300 -0.174 0.000 1.162 1020 P CA 0.465 63.417 63.100 -0.247 0.000 0.758 1020 P CB 0.268 31.895 31.700 -0.121 0.000 0.773 1021 L N 3.740 124.806 121.223 -0.263 0.000 2.438 1021 L HA 0.617 4.957 4.340 -0.001 0.000 0.270 1021 L C 0.151 176.942 176.870 -0.131 0.000 0.972 1021 L CA -0.385 54.373 54.840 -0.137 0.000 0.831 1021 L CB 1.636 43.642 42.059 -0.089 0.000 1.273 1021 L HN 0.440 nan 8.230 nan 0.000 0.405 1022 G N 2.595 111.347 108.800 -0.080 0.000 2.305 1022 G HA2 0.453 4.412 3.960 -0.001 0.000 0.243 1022 G HA3 0.453 4.412 3.960 -0.001 0.000 0.243 1022 G C 0.014 174.874 174.900 -0.067 0.000 1.288 1022 G CA 0.430 45.497 45.100 -0.055 0.000 0.901 1022 G HN 1.019 nan 8.290 nan 0.000 0.516 1023 G N 1.088 109.837 108.800 -0.084 0.000 3.022 1023 G HA2 0.455 4.415 3.960 -0.001 0.000 0.284 1023 G HA3 0.455 4.415 3.960 -0.001 0.000 0.284 1023 G C 0.614 175.449 174.900 -0.108 0.000 1.375 1023 G CA -0.547 44.501 45.100 -0.087 0.000 0.902 1023 G HN 0.453 nan 8.290 nan 0.000 0.538 1024 K N -0.564 119.784 120.400 -0.087 0.000 2.032 1024 K HA 0.033 4.353 4.320 -0.001 0.000 0.209 1024 K C 1.963 178.491 176.600 -0.119 0.000 1.048 1024 K CA 2.157 58.394 56.287 -0.084 0.000 0.927 1024 K CB -0.108 32.359 32.500 -0.055 0.000 0.712 1024 K HN 0.475 nan 8.250 nan 0.000 0.441 1025 A N -0.608 122.139 122.820 -0.122 0.000 2.603 1025 A HA 0.258 4.577 4.320 -0.001 0.000 0.277 1025 A C -0.565 176.924 177.584 -0.159 0.000 1.158 1025 A CA -0.311 51.643 52.037 -0.138 0.000 0.962 1025 A CB 0.344 19.291 19.000 -0.088 0.000 1.189 1025 A HN 0.165 nan 8.150 nan 0.000 0.552 1026 Q N -1.745 117.950 119.800 -0.173 0.000 2.359 1026 Q HA 0.475 4.814 4.340 -0.001 0.000 0.274 1026 Q C -0.577 175.345 176.000 -0.129 0.000 1.074 1026 Q CA -0.757 54.969 55.803 -0.127 0.000 0.810 1026 Q CB 1.647 30.337 28.738 -0.080 0.000 1.342 1026 Q HN 0.229 nan 8.270 nan 0.000 0.427 1027 F N 1.089 121.030 119.950 -0.015 0.000 2.234 1027 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 1027 F C 1.266 177.059 175.800 -0.012 0.000 1.087 1027 F CA 1.810 59.827 58.000 0.029 0.000 1.340 1027 F CB 0.254 39.297 39.000 0.072 0.000 1.031 1027 F HN 0.824 nan 8.300 nan 0.000 0.500 1028 G N -0.168 108.691 108.800 0.098 0.000 3.190 1028 G HA2 0.143 4.103 3.960 -0.001 0.000 0.686 1028 G HA3 0.143 4.103 3.960 -0.001 0.000 0.686 1028 G C 0.109 175.005 174.900 -0.007 0.000 1.033 1028 G CA -0.761 44.340 45.100 0.001 0.000 0.797 1028 G HN 0.587 nan 8.290 nan 0.000 0.567 1029 G N 0.422 109.196 108.800 -0.043 0.000 2.572 1029 G HA2 0.543 4.503 3.960 -0.001 0.000 0.261 1029 G HA3 0.543 4.503 3.960 -0.001 0.000 0.261 1029 G C 0.142 175.018 174.900 -0.040 0.000 1.197 1029 G CA -0.126 44.957 45.100 -0.027 0.000 0.870 1029 G HN 0.868 nan 8.290 nan 0.000 0.548 1030 Q N -0.657 119.131 119.800 -0.021 0.000 2.243 1030 Q HA 0.312 4.652 4.340 -0.001 0.000 0.252 1030 Q C 0.461 176.468 176.000 0.012 0.000 0.909 1030 Q CA -0.494 55.291 55.803 -0.030 0.000 0.922 1030 Q CB 1.251 29.970 28.738 -0.031 0.000 1.215 1030 Q HN 0.528 nan 8.270 nan 0.000 0.427 1031 R N 2.621 123.113 120.500 -0.014 0.000 2.442 1031 R HA 0.113 4.452 4.340 -0.001 0.000 0.291 1031 R C -1.117 175.192 176.300 0.016 0.000 1.069 1031 R CA 0.020 56.128 56.100 0.013 0.000 1.022 1031 R CB 0.384 30.670 30.300 -0.023 0.000 0.976 1031 R HN 0.555 nan 8.270 nan 0.000 0.443 1032 F N 4.105 124.025 119.950 -0.050 0.000 2.309 1032 F HA 0.352 4.879 4.527 -0.000 0.000 0.366 1032 F C 0.610 176.357 175.800 -0.088 0.000 1.104 1032 F CA -0.094 57.869 58.000 -0.061 0.000 1.179 1032 F CB 0.857 39.832 39.000 -0.042 0.000 1.437 1032 F HN 0.617 nan 8.300 nan 0.000 0.528 1033 G N 3.280 112.009 108.800 -0.119 0.000 2.547 1033 G HA2 0.116 4.075 3.960 -0.001 0.000 0.291 1033 G HA3 0.116 4.075 3.960 -0.001 0.000 0.291 1033 G C 0.635 175.392 174.900 -0.239 0.000 1.211 1033 G CA -0.344 44.674 45.100 -0.138 0.000 0.950 1033 G HN 0.655 nan 8.290 nan 0.000 0.504 1034 E N -0.357 119.641 120.200 -0.337 0.000 2.055 1034 E HA -0.266 4.084 4.350 -0.001 0.000 0.209 1034 E C 2.564 178.429 176.600 -1.225 0.000 1.036 1034 E CA 1.876 57.863 56.400 -0.688 0.000 0.849 1034 E CB -0.161 29.144 29.700 -0.659 0.000 0.767 1034 E HN 0.520 nan 8.360 nan 0.000 0.461 1035 M N 0.490 119.429 119.600 -1.101 0.000 2.116 1035 M HA -0.256 4.224 4.480 -0.001 0.000 0.255 1035 M C 1.930 177.973 176.300 -0.430 0.000 1.075 1035 M CA 1.733 56.548 55.300 -0.807 0.000 1.087 1035 M CB -0.097 32.291 32.600 -0.354 0.000 1.340 1035 M HN 0.115 nan 8.290 nan 0.000 0.402 1036 E N -0.680 119.273 120.200 -0.411 0.000 2.216 1036 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 1036 E C 2.080 178.633 176.600 -0.077 0.000 0.988 1036 E CA 1.323 57.496 56.400 -0.378 0.000 0.834 1036 E CB -0.688 28.497 29.700 -0.859 0.000 0.772 1036 E HN 0.438 nan 8.360 nan 0.000 0.479 1037 V N 0.959 120.865 119.914 -0.013 0.000 2.237 1037 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 1037 V C 2.345 178.592 176.094 0.256 0.000 1.046 1037 V CA 1.842 64.284 62.300 0.237 0.000 1.007 1037 V CB -1.103 30.768 31.823 0.079 0.000 0.638 1037 V HN 0.219 nan 8.190 nan 0.000 0.445 1038 W N 0.685 122.070 121.300 0.142 0.000 2.305 1038 W HA -0.225 4.435 4.660 -0.001 0.000 0.308 1038 W C 2.847 179.441 176.519 0.126 0.000 1.226 1038 W CA 1.662 59.070 57.345 0.105 0.000 1.253 1038 W CB -1.801 27.698 29.460 0.066 0.000 1.146 1038 W HN 0.353 nan 8.180 nan 0.000 0.507 1039 A N 0.286 123.305 122.820 0.331 0.000 1.884 1039 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 1039 A C 2.116 179.949 177.584 0.414 0.000 1.197 1039 A CA 2.358 54.577 52.037 0.303 0.000 0.637 1039 A CB -1.057 18.069 19.000 0.211 0.000 0.827 1039 A HN 0.171 nan 8.150 nan 0.000 0.450 1040 L N -0.539 120.905 121.223 0.367 0.000 2.027 1040 L HA -0.123 4.216 4.340 -0.001 0.000 0.206 1040 L C 2.392 179.453 176.870 0.319 0.000 1.074 1040 L CA 2.092 57.142 54.840 0.351 0.000 0.745 1040 L CB -0.938 41.290 42.059 0.281 0.000 0.898 1040 L HN 0.498 nan 8.230 nan 0.000 0.433 1041 E N -0.707 119.661 120.200 0.280 0.000 2.086 1041 E HA -0.332 4.018 4.350 -0.001 0.000 0.200 1041 E C 2.229 178.941 176.600 0.187 0.000 1.012 1041 E CA 1.437 57.972 56.400 0.224 0.000 0.812 1041 E CB -0.237 29.618 29.700 0.257 0.000 0.743 1041 E HN 0.534 nan 8.360 nan 0.000 0.453 1042 A N 0.574 123.505 122.820 0.185 0.000 1.873 1042 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 1042 A C 0.847 178.455 177.584 0.040 0.000 1.193 1042 A CA 1.299 53.375 52.037 0.064 0.000 0.629 1042 A CB -0.809 18.189 19.000 -0.004 0.000 0.826 1042 A HN 0.201 nan 8.150 nan 0.000 0.447 1043 Y N -1.244 119.105 120.300 0.082 0.000 2.223 1043 Y HA 0.348 4.898 4.550 -0.001 0.000 0.352 1043 Y C 1.860 177.799 175.900 0.065 0.000 1.293 1043 Y CA 0.395 58.535 58.100 0.067 0.000 1.601 1043 Y CB 0.246 38.748 38.460 0.069 0.000 1.407 1043 Y HN 0.097 nan 8.280 nan 0.000 0.639 1044 G N -0.213 108.745 108.800 0.263 0.000 3.262 1044 G HA2 0.257 4.217 3.960 -0.001 0.000 0.228 1044 G HA3 0.257 4.217 3.960 -0.001 0.000 0.228 1044 G C 0.216 175.208 174.900 0.153 0.000 1.197 1044 G CA 0.136 45.334 45.100 0.163 0.000 0.819 1044 G HN 0.719 nan 8.290 nan 0.000 0.531 1045 A N 0.685 123.609 122.820 0.173 0.000 2.898 1045 A HA 0.575 4.895 4.320 -0.001 0.000 0.288 1045 A C 1.712 179.368 177.584 0.121 0.000 1.771 1045 A CA 0.630 52.737 52.037 0.117 0.000 1.383 1045 A CB -0.250 18.799 19.000 0.081 0.000 1.028 1045 A HN 0.535 nan 8.150 nan 0.000 0.595 1046 A N 1.410 124.319 122.820 0.149 0.000 1.843 1046 A HA -0.036 4.283 4.320 -0.001 0.000 0.213 1046 A C 1.911 179.545 177.584 0.083 0.000 1.202 1046 A CA 1.372 53.484 52.037 0.124 0.000 0.607 1046 A CB -0.739 18.363 19.000 0.170 0.000 0.847 1046 A HN 0.861 nan 8.150 nan 0.000 0.445 1047 H N -0.672 118.395 119.070 -0.006 0.000 2.326 1047 H HA -0.078 4.478 4.556 -0.001 0.000 0.301 1047 H C 2.280 177.586 175.328 -0.037 0.000 1.081 1047 H CA 1.579 57.614 56.048 -0.021 0.000 1.334 1047 H CB -0.318 29.434 29.762 -0.016 0.000 1.385 1047 H HN 0.427 nan 8.280 nan 0.000 0.504 1048 T N 1.884 116.501 114.554 0.104 0.000 2.737 1048 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 1048 T C 2.134 176.800 174.700 -0.057 0.000 1.040 1048 T CA 1.231 63.342 62.100 0.018 0.000 1.142 1048 T CB -0.375 68.501 68.868 0.014 0.000 0.861 1048 T HN 0.095 nan 8.240 nan 0.000 0.456 1049 L N 0.947 122.143 121.223 -0.045 0.000 2.072 1049 L HA 0.036 4.375 4.340 -0.001 0.000 0.205 1049 L C 2.556 179.337 176.870 -0.148 0.000 1.079 1049 L CA 1.778 56.543 54.840 -0.125 0.000 0.752 1049 L CB -0.834 41.207 42.059 -0.031 0.000 0.906 1049 L HN 0.218 nan 8.230 nan 0.000 0.436 1050 Q N -0.404 119.339 119.800 -0.095 0.000 2.061 1050 Q HA -0.310 4.029 4.340 -0.001 0.000 0.204 1050 Q C 2.183 178.121 176.000 -0.104 0.000 0.984 1050 Q CA 2.289 58.029 55.803 -0.105 0.000 0.846 1050 Q CB -0.198 28.462 28.738 -0.130 0.000 0.902 1050 Q HN 0.687 nan 8.270 nan 0.000 0.421 1051 E N -0.507 119.642 120.200 -0.084 0.000 2.033 1051 E HA -0.234 4.116 4.350 -0.001 0.000 0.199 1051 E C 1.952 178.480 176.600 -0.121 0.000 1.011 1051 E CA 1.844 58.201 56.400 -0.073 0.000 0.815 1051 E CB -0.003 29.672 29.700 -0.043 0.000 0.755 1051 E HN 0.392 nan 8.360 nan 0.000 0.451 1052 M N -0.105 119.361 119.600 -0.224 0.000 2.346 1052 M HA -0.153 4.326 4.480 -0.001 0.000 0.263 1052 M C 1.946 178.095 176.300 -0.252 0.000 1.064 1052 M CA 1.299 56.390 55.300 -0.348 0.000 1.083 1052 M CB -0.530 31.552 32.600 -0.863 0.000 1.399 1052 M HN 0.227 nan 8.290 nan 0.000 0.435 1053 L N -1.979 119.133 121.223 -0.185 0.000 2.556 1053 L HA 0.050 4.390 4.340 -0.001 0.000 0.226 1053 L C 1.642 178.475 176.870 -0.061 0.000 1.089 1053 L CA 0.244 55.020 54.840 -0.108 0.000 0.864 1053 L CB -0.317 41.689 42.059 -0.089 0.000 1.067 1053 L HN 0.235 nan 8.230 nan 0.000 0.477 1054 T N -1.251 113.265 114.554 -0.064 0.000 3.479 1054 T HA 0.175 4.525 4.350 -0.001 0.000 0.197 1054 T C 1.673 176.354 174.700 -0.032 0.000 0.912 1054 T CA -0.202 61.872 62.100 -0.044 0.000 1.281 1054 T CB -0.340 68.498 68.868 -0.050 0.000 1.588 1054 T HN -0.070 nan 8.240 nan 0.000 0.389 1055 L N 0.845 122.051 121.223 -0.028 0.000 2.021 1055 L HA -0.171 4.168 4.340 -0.001 0.000 0.215 1055 L C 2.525 179.398 176.870 0.006 0.000 1.074 1055 L CA 1.709 56.544 54.840 -0.009 0.000 0.760 1055 L CB -0.695 41.364 42.059 0.001 0.000 0.889 1055 L HN 0.254 nan 8.230 nan 0.000 0.433 1056 K N -1.397 119.003 120.400 -0.000 0.000 2.365 1056 K HA -0.031 4.289 4.320 -0.001 0.000 0.197 1056 K C 2.071 178.707 176.600 0.059 0.000 1.042 1056 K CA 0.968 57.272 56.287 0.028 0.000 0.987 1056 K CB 0.275 32.778 32.500 0.006 0.000 0.779 1056 K HN 0.154 nan 8.250 nan 0.000 0.484 1057 S N -1.030 114.691 115.700 0.035 0.000 3.084 1057 S HA 0.050 4.520 4.470 -0.001 0.000 0.262 1057 S C 0.731 175.361 174.600 0.050 0.000 1.081 1057 S CA -0.036 58.212 58.200 0.080 0.000 0.855 1057 S CB 0.263 63.497 63.200 0.056 0.000 0.857 1057 S HN 0.099 nan 8.310 nan 0.000 0.449 1058 D N 1.051 121.455 120.400 0.006 0.000 2.473 1058 D HA 0.233 4.873 4.640 -0.001 0.000 0.230 1058 D C -0.285 175.991 176.300 -0.039 0.000 1.097 1058 D CA 0.088 54.083 54.000 -0.008 0.000 0.861 1058 D CB 0.189 40.999 40.800 0.018 0.000 1.114 1058 D HN 0.261 nan 8.370 nan 0.000 0.500 1059 D N 1.529 121.905 120.400 -0.040 0.000 2.422 1059 D HA -0.032 4.608 4.640 -0.001 0.000 0.263 1059 D C 1.714 177.969 176.300 -0.075 0.000 1.334 1059 D CA 0.020 53.994 54.000 -0.044 0.000 1.105 1059 D CB -0.284 40.494 40.800 -0.036 0.000 1.107 1059 D HN 0.221 nan 8.370 nan 0.000 0.522 1060 I N 2.580 123.098 120.570 -0.087 0.000 2.065 1060 I HA -0.357 3.812 4.170 -0.001 0.000 0.236 1060 I C 1.949 178.011 176.117 -0.092 0.000 1.028 1060 I CA 1.627 62.852 61.300 -0.125 0.000 1.299 1060 I CB 0.198 38.142 38.000 -0.093 0.000 1.015 1060 I HN 0.388 nan 8.210 nan 0.000 0.396 1061 E N -0.035 120.135 120.200 -0.051 0.000 2.204 1061 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 1061 E C 1.999 178.585 176.600 -0.024 0.000 0.990 1061 E CA 0.904 57.285 56.400 -0.031 0.000 0.821 1061 E CB -0.287 29.404 29.700 -0.017 0.000 0.750 1061 E HN 0.714 nan 8.360 nan 0.000 0.477 1062 G N 2.104 110.886 108.800 -0.030 0.000 2.484 1062 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.215 1062 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.215 1062 G C 1.480 176.376 174.900 -0.007 0.000 1.219 1062 G CA 1.069 46.157 45.100 -0.019 0.000 0.791 1062 G HN 0.254 nan 8.290 nan 0.000 0.550 1063 R N 0.423 120.907 120.500 -0.027 0.000 2.117 1063 R HA -0.107 4.232 4.340 -0.001 0.000 0.243 1063 R C 2.045 178.365 176.300 0.034 0.000 1.143 1063 R CA 1.667 57.763 56.100 -0.006 0.000 0.968 1063 R CB -0.765 29.497 30.300 -0.064 0.000 0.863 1063 R HN 0.253 nan 8.270 nan 0.000 0.444 1064 N N 1.828 120.535 118.700 0.012 0.000 2.051 1064 N HA -0.102 4.638 4.740 -0.001 0.000 0.192 1064 N C 1.984 177.552 175.510 0.097 0.000 1.049 1064 N CA 1.863 54.952 53.050 0.064 0.000 0.845 1064 N CB -0.661 37.840 38.487 0.024 0.000 1.031 1064 N HN 0.372 nan 8.380 nan 0.000 0.425 1065 A N 0.989 123.838 122.820 0.049 0.000 2.076 1065 A HA 0.009 4.329 4.320 -0.001 0.000 0.220 1065 A C 2.300 179.912 177.584 0.048 0.000 1.160 1065 A CA 1.836 53.896 52.037 0.038 0.000 0.653 1065 A CB -0.664 18.346 19.000 0.017 0.000 0.801 1065 A HN 0.369 nan 8.150 nan 0.000 0.455 1066 A N -0.905 121.955 122.820 0.067 0.000 1.841 1066 A HA -0.049 4.271 4.320 -0.001 0.000 0.214 1066 A C 2.083 179.740 177.584 0.121 0.000 1.195 1066 A CA 1.608 53.691 52.037 0.076 0.000 0.611 1066 A CB -0.999 18.047 19.000 0.075 0.000 0.835 1066 A HN 0.656 nan 8.150 nan 0.000 0.443 1067 Y N 0.858 121.164 120.300 0.010 0.000 1.993 1067 Y HA -0.318 4.232 4.550 -0.001 0.000 0.267 1067 Y C 2.458 178.363 175.900 0.008 0.000 1.155 1067 Y CA 2.444 60.553 58.100 0.015 0.000 1.105 1067 Y CB -0.940 37.533 38.460 0.022 0.000 0.960 1067 Y HN 0.590 nan 8.280 nan 0.000 0.486 1068 E N 0.091 120.248 120.200 -0.070 0.000 2.086 1068 E HA -0.336 4.014 4.350 -0.001 0.000 0.205 1068 E C 2.225 178.750 176.600 -0.125 0.000 1.027 1068 E CA 1.776 58.076 56.400 -0.166 0.000 0.830 1068 E CB -0.531 29.145 29.700 -0.040 0.000 0.751 1068 E HN 0.554 nan 8.360 nan 0.000 0.456 1069 A N 1.235 124.025 122.820 -0.051 0.000 1.892 1069 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 1069 A C 2.287 179.840 177.584 -0.051 0.000 1.188 1069 A CA 1.948 53.962 52.037 -0.038 0.000 0.631 1069 A CB -0.838 18.156 19.000 -0.009 0.000 0.822 1069 A HN 0.425 nan 8.150 nan 0.000 0.447 1070 I N 0.124 120.667 120.570 -0.046 0.000 2.208 1070 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 1070 I C 2.094 178.157 176.117 -0.089 0.000 1.097 1070 I CA 0.999 62.274 61.300 -0.043 0.000 1.363 1070 I CB -0.465 37.534 38.000 -0.002 0.000 1.051 1070 I HN 0.255 nan 8.210 nan 0.000 0.413 1071 I N 1.142 121.605 120.570 -0.177 0.000 2.335 1071 I HA -0.257 3.912 4.170 -0.001 0.000 0.251 1071 I C 1.968 178.010 176.117 -0.125 0.000 1.129 1071 I CA 1.809 62.984 61.300 -0.208 0.000 1.402 1071 I CB -1.094 36.697 38.000 -0.349 0.000 1.069 1071 I HN 0.347 nan 8.210 nan 0.000 0.424 1072 K N 0.279 120.620 120.400 -0.099 0.000 2.374 1072 K HA 0.286 4.606 4.320 -0.001 0.000 0.196 1072 K C 1.125 177.696 176.600 -0.047 0.000 1.023 1072 K CA 0.565 56.812 56.287 -0.067 0.000 1.103 1072 K CB 0.357 32.822 32.500 -0.058 0.000 0.848 1072 K HN 0.375 nan 8.250 nan 0.000 0.528 1073 G N 2.069 110.841 108.800 -0.046 0.000 2.147 1073 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 1073 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 1073 G C -0.268 174.618 174.900 -0.024 0.000 1.005 1073 G CA 0.098 45.180 45.100 -0.030 0.000 0.713 1073 G HN 0.399 nan 8.290 nan 0.000 0.515 1074 E N -0.416 119.769 120.200 -0.026 0.000 2.250 1074 E HA 0.443 4.792 4.350 -0.001 0.000 0.265 1074 E C -0.489 176.104 176.600 -0.012 0.000 1.033 1074 E CA -0.844 55.545 56.400 -0.019 0.000 0.888 1074 E CB 0.830 30.517 29.700 -0.021 0.000 1.151 1074 E HN 0.158 nan 8.360 nan 0.000 0.412 1075 D N 0.484 120.880 120.400 -0.006 0.000 2.329 1075 D HA 0.130 4.770 4.640 -0.001 0.000 0.246 1075 D C -0.695 175.609 176.300 0.005 0.000 1.111 1075 D CA -0.429 53.571 54.000 0.000 0.000 0.941 1075 D CB 1.229 42.031 40.800 0.002 0.000 1.169 1075 D HN 0.162 nan 8.370 nan 0.000 0.441 1076 V N 0.656 120.578 119.914 0.013 0.000 2.740 1076 V HA 0.347 4.467 4.120 -0.001 0.000 0.303 1076 V C -2.210 173.894 176.094 0.016 0.000 1.054 1076 V CA -1.183 61.128 62.300 0.019 0.000 1.106 1076 V CB 0.124 31.962 31.823 0.026 0.000 0.957 1076 V HN 0.475 nan 8.190 nan 0.000 0.486 1077 P HA 0.207 nan 4.420 nan 0.000 0.271 1077 P C -0.445 176.859 177.300 0.007 0.000 1.233 1077 P CA -0.146 62.959 63.100 0.007 0.000 0.789 1077 P CB 0.318 32.020 31.700 0.003 0.000 0.951 1078 E N 1.660 121.861 120.200 0.001 0.000 2.167 1078 E HA 0.230 4.580 4.350 -0.001 0.000 0.284 1078 E C -2.014 174.571 176.600 -0.025 0.000 1.016 1078 E CA -1.819 54.576 56.400 -0.008 0.000 0.817 1078 E CB -0.186 29.512 29.700 -0.004 0.000 1.080 1078 E HN 0.346 nan 8.360 nan 0.000 0.397 1079 P HA -0.224 nan 4.420 nan 0.000 0.268 1079 P C -0.520 176.752 177.300 -0.048 0.000 1.140 1079 P CA 0.727 63.801 63.100 -0.044 0.000 0.751 1079 P CB 0.434 32.097 31.700 -0.062 0.000 0.740 1080 S N 2.081 117.756 115.700 -0.041 0.000 2.738 1080 S HA 0.418 4.888 4.470 -0.001 0.000 0.284 1080 S C -0.046 174.525 174.600 -0.049 0.000 1.146 1080 S CA -0.896 57.281 58.200 -0.039 0.000 0.997 1080 S CB 0.679 63.866 63.200 -0.022 0.000 1.081 1080 S HN 0.151 nan 8.310 nan 0.000 0.553 1081 V N 3.089 122.975 119.914 -0.046 0.000 2.811 1081 V HA 0.301 4.421 4.120 -0.001 0.000 0.302 1081 V C -2.153 173.942 176.094 0.002 0.000 1.063 1081 V CA -1.240 61.025 62.300 -0.057 0.000 1.088 1081 V CB 0.857 32.639 31.823 -0.069 0.000 0.982 1081 V HN 0.745 nan 8.190 nan 0.000 0.485 1082 P HA 0.208 nan 4.420 nan 0.000 0.287 1082 P C 0.618 177.989 177.300 0.119 0.000 1.281 1082 P CA -0.346 62.786 63.100 0.055 0.000 0.781 1082 P CB 0.679 32.408 31.700 0.050 0.000 0.903 1083 E N 1.667 121.920 120.200 0.088 0.000 2.284 1083 E HA -0.217 4.133 4.350 -0.001 0.000 0.200 1083 E C 1.687 178.360 176.600 0.121 0.000 1.008 1083 E CA 1.724 58.186 56.400 0.104 0.000 0.829 1083 E CB -0.186 29.543 29.700 0.049 0.000 0.744 1083 E HN 0.551 nan 8.360 nan 0.000 0.491 1084 S N 0.483 116.253 115.700 0.116 0.000 2.359 1084 S HA -0.235 4.235 4.470 -0.001 0.000 0.222 1084 S C 1.989 176.668 174.600 0.132 0.000 1.038 1084 S CA 1.334 59.599 58.200 0.109 0.000 1.051 1084 S CB -0.920 62.344 63.200 0.107 0.000 0.944 1084 S HN 0.312 nan 8.310 nan 0.000 0.433 1085 F N 3.031 123.003 119.950 0.037 0.000 2.051 1085 F HA -0.012 4.515 4.527 -0.001 0.000 0.296 1085 F C 2.794 178.640 175.800 0.077 0.000 1.122 1085 F CA 1.802 59.822 58.000 0.034 0.000 1.201 1085 F CB -0.315 38.688 39.000 0.006 0.000 0.978 1085 F HN 0.065 nan 8.300 nan 0.000 0.472 1086 R N -0.372 120.356 120.500 0.380 0.000 2.119 1086 R HA -0.204 4.135 4.340 -0.001 0.000 0.246 1086 R C 2.194 178.666 176.300 0.285 0.000 1.146 1086 R CA 1.637 58.029 56.100 0.487 0.000 0.962 1086 R CB -1.210 29.429 30.300 0.565 0.000 0.863 1086 R HN 0.307 nan 8.270 nan 0.000 0.442 1087 V N 1.540 121.536 119.914 0.136 0.000 2.407 1087 V HA -0.217 3.903 4.120 -0.001 0.000 0.248 1087 V C 2.204 178.305 176.094 0.011 0.000 1.055 1087 V CA 1.575 63.909 62.300 0.058 0.000 1.049 1087 V CB -0.250 31.594 31.823 0.034 0.000 0.662 1087 V HN 0.294 nan 8.190 nan 0.000 0.455 1088 L N -0.627 120.562 121.223 -0.057 0.000 1.976 1088 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 1088 L C 2.411 179.196 176.870 -0.141 0.000 1.071 1088 L CA 2.263 57.020 54.840 -0.138 0.000 0.746 1088 L CB -0.405 41.492 42.059 -0.271 0.000 0.890 1088 L HN 0.180 nan 8.230 nan 0.000 0.432 1089 V N 0.223 120.008 119.914 -0.214 0.000 2.277 1089 V HA -0.373 3.746 4.120 -0.001 0.000 0.253 1089 V C 2.766 178.890 176.094 0.050 0.000 1.067 1089 V CA 2.130 64.359 62.300 -0.120 0.000 1.047 1089 V CB -0.950 30.820 31.823 -0.088 0.000 0.649 1089 V HN 0.437 nan 8.190 nan 0.000 0.447 1090 K N -0.054 120.440 120.400 0.155 0.000 2.057 1090 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 1090 K C 2.117 178.738 176.600 0.035 0.000 1.050 1090 K CA 1.319 57.675 56.287 0.116 0.000 0.935 1090 K CB -0.516 32.027 32.500 0.071 0.000 0.715 1090 K HN 0.597 nan 8.250 nan 0.000 0.439 1091 E N 0.489 120.695 120.200 0.009 0.000 2.160 1091 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 1091 E C 2.054 178.646 176.600 -0.013 0.000 0.991 1091 E CA 0.762 57.157 56.400 -0.008 0.000 0.810 1091 E CB -0.076 29.613 29.700 -0.019 0.000 0.742 1091 E HN 0.119 nan 8.360 nan 0.000 0.466 1092 L N 0.455 121.664 121.223 -0.024 0.000 2.072 1092 L HA -0.186 4.154 4.340 -0.001 0.000 0.205 1092 L C 2.454 179.320 176.870 -0.007 0.000 1.079 1092 L CA 1.152 55.975 54.840 -0.027 0.000 0.752 1092 L CB -0.047 41.978 42.059 -0.057 0.000 0.906 1092 L HN 0.094 nan 8.230 nan 0.000 0.436 1093 Q N -0.939 118.868 119.800 0.012 0.000 2.224 1093 Q HA -0.185 4.154 4.340 -0.001 0.000 0.203 1093 Q C 2.292 178.302 176.000 0.016 0.000 0.970 1093 Q CA 1.127 56.946 55.803 0.025 0.000 0.865 1093 Q CB -0.124 28.649 28.738 0.058 0.000 0.922 1093 Q HN 0.595 nan 8.270 nan 0.000 0.445 1094 A N 0.561 123.387 122.820 0.010 0.000 1.940 1094 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 1094 A C 1.001 178.586 177.584 0.002 0.000 1.176 1094 A CA 0.961 53.001 52.037 0.004 0.000 0.631 1094 A CB -0.398 18.601 19.000 -0.001 0.000 0.814 1094 A HN 0.237 nan 8.150 nan 0.000 0.446 1095 L N -2.487 118.736 121.223 -0.000 0.000 2.421 1095 L HA 0.474 4.814 4.340 -0.001 0.000 0.263 1095 L C 1.696 178.567 176.870 0.001 0.000 1.122 1095 L CA -0.021 54.818 54.840 -0.001 0.000 0.804 1095 L CB 0.713 42.769 42.059 -0.005 0.000 1.150 1095 L HN 0.164 nan 8.230 nan 0.000 0.457 1096 A N 1.649 124.470 122.820 0.001 0.000 2.234 1096 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 1096 A C 0.716 178.302 177.584 0.003 0.000 1.167 1096 A CA 0.668 52.707 52.037 0.003 0.000 0.698 1096 A CB -0.861 18.140 19.000 0.003 0.000 0.779 1096 A HN 0.430 nan 8.150 nan 0.000 0.475 1097 L N 0.764 121.987 121.223 0.000 0.000 2.410 1097 L HA 0.254 4.593 4.340 -0.001 0.000 0.273 1097 L C 0.209 177.080 176.870 0.002 0.000 1.152 1097 L CA 0.011 54.851 54.840 -0.001 0.000 0.855 1097 L CB 0.423 42.478 42.059 -0.008 0.000 1.129 1097 L HN 0.313 nan 8.230 nan 0.000 0.463 1098 D N 2.945 123.347 120.400 0.003 0.000 2.412 1098 D HA 0.338 4.978 4.640 -0.001 0.000 0.224 1098 D C -0.945 175.356 176.300 0.001 0.000 1.093 1098 D CA -0.413 53.592 54.000 0.007 0.000 0.850 1098 D CB 0.968 41.775 40.800 0.011 0.000 1.046 1098 D HN 0.168 nan 8.370 nan 0.000 0.507 1099 V N 3.991 123.902 119.914 -0.006 0.000 2.364 1099 V HA 0.398 4.517 4.120 -0.001 0.000 0.272 1099 V C -0.001 176.087 176.094 -0.010 0.000 1.036 1099 V CA -0.662 61.630 62.300 -0.014 0.000 0.880 1099 V CB 0.732 32.527 31.823 -0.047 0.000 0.991 1099 V HN 0.586 nan 8.190 nan 0.000 0.460 1100 Q N 3.637 123.438 119.800 0.001 0.000 2.321 1100 Q HA 0.528 4.867 4.340 -0.001 0.000 0.270 1100 Q C -0.023 175.979 176.000 0.003 0.000 1.032 1100 Q CA -0.411 55.388 55.803 -0.006 0.000 0.784 1100 Q CB 1.922 30.658 28.738 -0.004 0.000 1.264 1100 Q HN 0.927 nan 8.270 nan 0.000 0.448 1101 T N 1.208 115.757 114.554 -0.008 0.000 2.898 1101 T HA 0.583 4.932 4.350 -0.001 0.000 0.301 1101 T C 0.080 174.766 174.700 -0.023 0.000 1.049 1101 T CA -0.417 61.676 62.100 -0.013 0.000 1.095 1101 T CB 0.556 69.394 68.868 -0.051 0.000 0.976 1101 T HN 0.487 nan 8.240 nan 0.000 0.539 1102 L N 0.381 121.591 121.223 -0.023 0.000 2.250 1102 L HA 0.677 5.016 4.340 -0.001 0.000 0.252 1102 L C 0.053 176.907 176.870 -0.027 0.000 1.054 1102 L CA -1.073 53.755 54.840 -0.020 0.000 0.856 1102 L CB 1.886 43.939 42.059 -0.011 0.000 1.443 1102 L HN 0.654 nan 8.230 nan 0.000 0.427 1103 D N -1.264 119.123 120.400 -0.021 0.000 2.560 1103 D HA 0.160 4.800 4.640 -0.001 0.000 0.277 1103 D C 0.701 176.990 176.300 -0.019 0.000 1.194 1103 D CA -0.346 53.641 54.000 -0.022 0.000 1.092 1103 D CB 0.880 41.670 40.800 -0.018 0.000 1.169 1103 D HN 0.563 nan 8.370 nan 0.000 0.607 1104 E N -0.261 119.928 120.200 -0.017 0.000 2.005 1104 E HA -0.164 4.185 4.350 -0.001 0.000 0.198 1104 E C -0.079 176.515 176.600 -0.011 0.000 1.010 1104 E CA 1.084 57.475 56.400 -0.014 0.000 0.825 1104 E CB -0.043 29.649 29.700 -0.012 0.000 0.769 1104 E HN 0.354 nan 8.360 nan 0.000 0.456 1105 K N 1.495 121.889 120.400 -0.009 0.000 2.276 1105 K HA 0.118 4.437 4.320 -0.001 0.000 0.283 1105 K C -0.673 175.923 176.600 -0.007 0.000 1.044 1105 K CA -0.411 55.872 56.287 -0.007 0.000 0.944 1105 K CB 0.947 33.443 32.500 -0.006 0.000 1.012 1105 K HN -0.102 nan 8.250 nan 0.000 0.472 1106 D N 3.551 123.947 120.400 -0.006 0.000 2.668 1106 D HA -0.100 4.540 4.640 -0.001 0.000 0.285 1106 D C -0.674 175.622 176.300 -0.006 0.000 1.492 1106 D CA 0.936 54.932 54.000 -0.006 0.000 1.237 1106 D CB -0.274 40.524 40.800 -0.003 0.000 1.153 1106 D HN 0.460 nan 8.370 nan 0.000 0.571 1107 N N 2.167 120.863 118.700 -0.008 0.000 2.425 1107 N HA 0.217 4.957 4.740 -0.001 0.000 0.289 1107 N C -2.792 172.711 175.510 -0.011 0.000 1.074 1107 N CA -1.425 51.621 53.050 -0.008 0.000 0.905 1107 N CB 2.678 41.161 38.487 -0.008 0.000 1.586 1107 N HN -0.143 nan 8.380 nan 0.000 0.490 1108 P HA -0.050 nan 4.420 nan 0.000 0.263 1108 P C -0.430 176.858 177.300 -0.020 0.000 1.175 1108 P CA 0.220 63.312 63.100 -0.014 0.000 0.761 1108 P CB 0.861 32.556 31.700 -0.008 0.000 0.794 1109 V N 3.028 122.923 119.914 -0.031 0.000 3.103 1109 V HA 0.451 4.571 4.120 -0.001 0.000 0.318 1109 V C -0.695 175.369 176.094 -0.051 0.000 1.114 1109 V CA -0.380 61.896 62.300 -0.040 0.000 1.020 1109 V CB 2.460 34.252 31.823 -0.051 0.000 1.085 1109 V HN 0.392 nan 8.190 nan 0.000 0.446 1110 D N 0.563 120.933 120.400 -0.050 0.000 2.593 1110 D HA 0.457 5.097 4.640 -0.001 0.000 0.251 1110 D C 0.821 177.080 176.300 -0.069 0.000 1.140 1110 D CA -0.341 53.628 54.000 -0.052 0.000 0.855 1110 D CB 1.390 42.186 40.800 -0.007 0.000 1.267 1110 D HN 0.418 nan 8.370 nan 0.000 0.532 1111 I N -0.345 120.142 120.570 -0.138 0.000 2.270 1111 I HA 0.191 4.361 4.170 -0.001 0.000 0.239 1111 I C 0.671 176.800 176.117 0.020 0.000 1.080 1111 I CA 0.266 61.482 61.300 -0.139 0.000 1.383 1111 I CB -0.330 37.516 38.000 -0.257 0.000 1.097 1111 I HN 0.167 nan 8.210 nan 0.000 0.420 1112 F N 3.375 123.350 119.950 0.042 0.000 2.516 1112 F HA 0.081 4.607 4.527 -0.001 0.000 0.351 1112 F C 1.587 177.396 175.800 0.014 0.000 1.208 1112 F CA -0.492 57.525 58.000 0.030 0.000 1.073 1112 F CB -0.166 38.853 39.000 0.032 0.000 1.203 1112 F HN 0.172 nan 8.300 nan 0.000 0.602 1113 E N 3.054 123.362 120.200 0.181 0.000 2.160 1113 E HA -0.265 4.085 4.350 -0.001 0.000 0.237 1113 E C 1.777 178.429 176.600 0.087 0.000 1.069 1113 E CA 1.779 58.235 56.400 0.094 0.000 0.950 1113 E CB -0.179 29.558 29.700 0.063 0.000 0.832 1113 E HN 0.836 nan 8.360 nan 0.000 0.496 1114 G N -1.102 107.746 108.800 0.081 0.000 4.956 1114 G HA2 0.288 4.248 3.960 -0.001 0.000 0.263 1114 G HA3 0.288 4.248 3.960 -0.001 0.000 0.263 1114 G C 0.495 175.426 174.900 0.052 0.000 0.958 1114 G CA -0.300 44.838 45.100 0.063 0.000 0.749 1114 G HN -0.039 nan 8.290 nan 0.000 0.356 1115 L N 0.574 121.831 121.223 0.057 0.000 2.567 1115 L HA 0.424 4.764 4.340 -0.001 0.000 0.225 1115 L C 2.394 179.267 176.870 0.005 0.000 1.119 1115 L CA 1.291 56.136 54.840 0.009 0.000 0.871 1115 L CB 0.496 42.534 42.059 -0.034 0.000 1.036 1115 L HN 0.228 nan 8.230 nan 0.000 0.459 1116 A N -1.303 121.560 122.820 0.072 0.000 2.140 1116 A HA 0.190 4.510 4.320 -0.001 0.000 0.209 1116 A C 1.162 178.788 177.584 0.071 0.000 1.181 1116 A CA 0.042 52.130 52.037 0.085 0.000 0.824 1116 A CB -0.110 19.037 19.000 0.244 0.000 0.879 1116 A HN 0.290 nan 8.150 nan 0.000 0.480 1117 S N 1.503 117.243 115.700 0.066 0.000 2.481 1117 S HA 0.359 4.829 4.470 -0.001 0.000 0.276 1117 S C -0.337 174.281 174.600 0.029 0.000 1.247 1117 S CA -0.510 57.718 58.200 0.047 0.000 1.053 1117 S CB 0.453 63.679 63.200 0.043 0.000 0.925 1117 S HN 0.405 nan 8.310 nan 0.000 0.491 1118 K N 3.286 123.700 120.400 0.024 0.000 2.265 1118 K HA 0.245 4.565 4.320 -0.001 0.000 0.242 1118 K C 0.315 176.923 176.600 0.014 0.000 1.137 1118 K CA -0.534 55.762 56.287 0.016 0.000 1.082 1118 K CB 0.317 32.825 32.500 0.013 0.000 1.731 1118 K HN 0.406 nan 8.250 nan 0.000 0.392 1119 R N 0.000 120.508 120.500 0.014 0.000 2.786 1119 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 1119 R CA 0.000 56.107 56.100 0.012 0.000 0.921 1119 R CB 0.000 30.307 30.300 0.012 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535