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 1zyr_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 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.561 32.600 -0.066 0.000 1.302 2 E N 1.536 121.694 120.200 -0.071 0.000 2.238 2 E HA 0.670 5.013 4.350 -0.012 0.000 0.267 2 E C -1.428 175.113 176.600 -0.098 0.000 0.887 2 E CA -0.873 55.487 56.400 -0.067 0.000 0.769 2 E CB 2.506 32.173 29.700 -0.056 0.000 1.187 2 E HN 0.314 nan 8.360 nan 0.000 0.416 3 I N 2.399 122.930 120.570 -0.065 0.000 2.382 3 I HA 0.302 4.465 4.170 -0.012 0.000 0.286 3 I C -0.270 175.805 176.117 -0.071 0.000 1.002 3 I CA -0.596 60.664 61.300 -0.066 0.000 1.135 3 I CB 1.056 39.061 38.000 0.009 0.000 1.288 3 I HN 0.424 nan 8.210 nan 0.000 0.448 4 K N 7.633 127.971 120.400 -0.103 0.000 2.358 4 K HA 0.545 4.858 4.320 -0.012 0.000 0.260 4 K C -0.147 176.333 176.600 -0.200 0.000 0.956 4 K CA -0.622 55.587 56.287 -0.129 0.000 0.834 4 K CB 1.795 34.223 32.500 -0.120 0.000 1.102 4 K HN 0.649 nan 8.250 nan 0.000 0.431 5 R N 2.557 122.943 120.500 -0.191 0.000 2.574 5 R HA 0.451 4.784 4.340 -0.012 0.000 0.266 5 R C -0.437 175.672 176.300 -0.319 0.000 1.157 5 R CA -0.495 55.514 56.100 -0.152 0.000 1.187 5 R CB 0.410 30.683 30.300 -0.044 0.000 1.179 5 R HN 0.276 nan 8.270 nan 0.000 0.600 6 F N -1.698 118.290 119.950 0.062 0.000 2.620 6 F HA 0.479 4.999 4.527 -0.011 0.000 0.320 6 F C 0.655 176.486 175.800 0.052 0.000 1.069 6 F CA -0.168 57.869 58.000 0.062 0.000 0.953 6 F CB 2.173 41.209 39.000 0.061 0.000 1.322 6 F HN 0.884 nan 8.300 nan 0.000 0.479 7 G N 1.947 110.953 108.800 0.343 0.000 3.158 7 G HA2 -0.179 3.774 3.960 -0.012 0.000 0.538 7 G HA3 -0.179 3.774 3.960 -0.012 0.000 0.538 7 G C -0.941 174.042 174.900 0.137 0.000 1.591 7 G CA -0.354 44.865 45.100 0.199 0.000 1.111 7 G HN 0.808 nan 8.290 nan 0.000 0.573 8 R N -0.030 120.534 120.500 0.107 0.000 2.518 8 R HA 0.443 4.775 4.340 -0.012 0.000 0.287 8 R C -0.144 176.197 176.300 0.068 0.000 1.135 8 R CA -0.689 55.459 56.100 0.080 0.000 0.967 8 R CB 0.901 31.242 30.300 0.068 0.000 1.212 8 R HN 0.814 nan 8.270 nan 0.000 0.422 9 I N 1.471 122.078 120.570 0.062 0.000 2.698 9 I HA 0.397 4.560 4.170 -0.012 0.000 0.276 9 I C -0.002 176.139 176.117 0.041 0.000 1.166 9 I CA -1.134 60.198 61.300 0.053 0.000 1.101 9 I CB 1.207 39.243 38.000 0.061 0.000 1.305 9 I HN 0.272 nan 8.210 nan 0.000 0.526 10 R N 3.485 124.007 120.500 0.036 0.000 4.797 10 R HA -0.129 4.204 4.340 -0.012 0.000 0.146 10 R C -0.116 176.199 176.300 0.025 0.000 0.258 10 R CA 0.636 56.754 56.100 0.030 0.000 0.909 10 R CB -0.858 29.457 30.300 0.026 0.000 0.954 10 R HN 0.688 nan 8.270 nan 0.000 0.273 11 E N 1.047 121.265 120.200 0.030 0.000 2.757 11 E HA -0.106 4.237 4.350 -0.012 0.000 0.238 11 E C 1.318 177.937 176.600 0.032 0.000 1.057 11 E CA -0.095 56.324 56.400 0.032 0.000 0.952 11 E CB 0.554 30.286 29.700 0.053 0.000 0.934 11 E HN 0.232 nan 8.360 nan 0.000 0.518 12 V N 5.278 125.201 119.914 0.015 0.000 2.270 12 V HA -0.108 4.005 4.120 -0.012 0.000 0.245 12 V C 0.792 176.913 176.094 0.046 0.000 1.043 12 V CA 1.768 64.081 62.300 0.022 0.000 1.014 12 V CB -0.000 31.826 31.823 0.005 0.000 0.645 12 V HN 0.608 nan 8.190 nan 0.000 0.447 13 I N -2.167 118.444 120.570 0.069 0.000 2.533 13 I HA 0.634 4.797 4.170 -0.012 0.000 0.290 13 I C -2.549 173.685 176.117 0.195 0.000 1.056 13 I CA -2.379 58.990 61.300 0.116 0.000 1.057 13 I CB 1.442 39.520 38.000 0.130 0.000 1.240 13 I HN -0.015 nan 8.210 nan 0.000 0.423 14 P HA 0.036 nan 4.420 nan 0.000 0.271 14 P C -0.492 176.848 177.300 0.066 0.000 1.228 14 P CA -0.180 62.968 63.100 0.081 0.000 0.797 14 P CB 0.388 32.105 31.700 0.028 0.000 0.914 15 L N 2.351 123.505 121.223 -0.114 0.000 2.464 15 L HA 0.299 4.631 4.340 -0.012 0.000 0.264 15 L C -1.921 174.865 176.870 -0.140 0.000 1.199 15 L CA -1.051 53.596 54.840 -0.322 0.000 0.818 15 L CB -0.556 41.278 42.059 -0.375 0.000 1.102 15 L HN 0.360 nan 8.230 nan 0.000 0.473 16 P HA 0.251 nan 4.420 nan 0.000 0.276 16 P C -2.609 174.658 177.300 -0.055 0.000 1.252 16 P CA -1.570 61.513 63.100 -0.028 0.000 0.802 16 P CB -0.044 31.677 31.700 0.035 0.000 1.035 17 P HA 0.013 nan 4.420 nan 0.000 0.254 17 P C 0.412 177.685 177.300 -0.046 0.000 1.186 17 P CA 0.307 63.380 63.100 -0.046 0.000 0.868 17 P CB -0.256 31.424 31.700 -0.034 0.000 0.856 18 L N 2.799 123.986 121.223 -0.061 0.000 2.671 18 L HA -0.167 4.166 4.340 -0.012 0.000 0.236 18 L C 1.401 178.245 176.870 -0.043 0.000 1.178 18 L CA 1.903 56.709 54.840 -0.057 0.000 0.829 18 L CB -1.036 40.983 42.059 -0.066 0.000 0.956 18 L HN 0.326 nan 8.230 nan 0.000 0.455 19 T N -3.047 111.484 114.554 -0.037 0.000 3.043 19 T HA 0.026 4.369 4.350 -0.012 0.000 0.272 19 T C 1.511 176.199 174.700 -0.020 0.000 0.990 19 T CA 0.264 62.342 62.100 -0.036 0.000 0.897 19 T CB 0.289 69.131 68.868 -0.044 0.000 1.111 19 T HN 0.517 nan 8.240 nan 0.000 0.529 20 E N 1.879 122.072 120.200 -0.012 0.000 2.114 20 E HA -0.211 4.132 4.350 -0.012 0.000 0.199 20 E C 1.485 178.094 176.600 0.016 0.000 1.008 20 E CA 1.493 57.895 56.400 0.003 0.000 0.810 20 E CB -0.773 28.929 29.700 0.002 0.000 0.739 20 E HN 0.371 nan 8.360 nan 0.000 0.456 21 I N 1.420 121.997 120.570 0.012 0.000 2.236 21 I HA -0.305 3.857 4.170 -0.012 0.000 0.249 21 I C 2.631 178.765 176.117 0.028 0.000 1.102 21 I CA 1.622 62.936 61.300 0.023 0.000 1.365 21 I CB -0.553 37.454 38.000 0.012 0.000 1.051 21 I HN 0.181 nan 8.210 nan 0.000 0.420 22 Q N -0.301 119.502 119.800 0.004 0.000 2.141 22 Q HA 0.069 4.402 4.340 -0.012 0.000 0.194 22 Q C 2.435 178.462 176.000 0.045 0.000 0.975 22 Q CA 1.000 56.798 55.803 -0.008 0.000 0.834 22 Q CB -0.559 28.125 28.738 -0.091 0.000 0.916 22 Q HN 0.352 nan 8.270 nan 0.000 0.484 23 V N 2.247 122.179 119.914 0.031 0.000 2.259 23 V HA -0.268 3.845 4.120 -0.012 0.000 0.229 23 V C 2.178 178.337 176.094 0.109 0.000 1.012 23 V CA 1.858 64.203 62.300 0.075 0.000 0.995 23 V CB -0.843 31.003 31.823 0.039 0.000 0.645 23 V HN 0.348 nan 8.190 nan 0.000 0.468 24 E N 0.062 120.301 120.200 0.066 0.000 2.301 24 E HA -0.352 3.991 4.350 -0.012 0.000 0.224 24 E C 2.386 179.032 176.600 0.077 0.000 1.092 24 E CA 2.277 58.711 56.400 0.057 0.000 0.913 24 E CB -0.753 28.966 29.700 0.032 0.000 0.776 24 E HN 0.604 nan 8.360 nan 0.000 0.465 25 S N -0.671 115.091 115.700 0.104 0.000 2.336 25 S HA -0.175 4.288 4.470 -0.012 0.000 0.214 25 S C 1.950 176.650 174.600 0.167 0.000 1.032 25 S CA 1.088 59.363 58.200 0.124 0.000 1.001 25 S CB -0.597 62.690 63.200 0.146 0.000 0.953 25 S HN 0.309 nan 8.310 nan 0.000 0.430 26 Y N 3.013 123.360 120.300 0.078 0.000 2.219 26 Y HA -0.198 4.345 4.550 -0.012 0.000 0.283 26 Y C 2.492 178.426 175.900 0.055 0.000 1.191 26 Y CA 1.982 60.143 58.100 0.101 0.000 1.199 26 Y CB -0.547 38.019 38.460 0.177 0.000 0.972 26 Y HN 0.324 nan 8.280 nan 0.000 0.527 27 R N 0.217 120.788 120.500 0.118 0.000 2.127 27 R HA -0.201 4.132 4.340 -0.012 0.000 0.219 27 R C 2.320 178.603 176.300 -0.028 0.000 1.133 27 R CA 1.926 58.045 56.100 0.032 0.000 0.890 27 R CB -0.465 29.860 30.300 0.043 0.000 0.804 27 R HN 0.196 nan 8.270 nan 0.000 0.443 28 R N 0.232 120.727 120.500 -0.009 0.000 2.198 28 R HA -0.254 4.079 4.340 -0.012 0.000 0.258 28 R C 2.273 178.526 176.300 -0.078 0.000 1.173 28 R CA 1.625 57.706 56.100 -0.030 0.000 0.991 28 R CB -0.625 29.668 30.300 -0.011 0.000 0.879 28 R HN 0.463 nan 8.270 nan 0.000 0.460 29 A N 1.691 124.450 122.820 -0.101 0.000 1.834 29 A HA -0.135 4.178 4.320 -0.012 0.000 0.216 29 A C 1.246 178.671 177.584 -0.265 0.000 1.203 29 A CA 1.406 53.327 52.037 -0.193 0.000 0.621 29 A CB -0.468 18.385 19.000 -0.245 0.000 0.841 29 A HN 0.301 nan 8.150 nan 0.000 0.446 30 L N -2.324 118.716 121.223 -0.305 0.000 2.435 30 L HA 0.457 4.789 4.340 -0.012 0.000 0.253 30 L C -0.425 176.376 176.870 -0.115 0.000 1.087 30 L CA -0.310 54.379 54.840 -0.251 0.000 0.950 30 L CB 0.675 42.508 42.059 -0.376 0.000 1.304 30 L HN 0.244 nan 8.230 nan 0.000 0.453 31 Q N 2.000 121.793 119.800 -0.012 0.000 2.546 31 Q HA 0.169 4.502 4.340 -0.012 0.000 0.237 31 Q C 1.139 177.139 176.000 -0.000 0.000 1.333 31 Q CA 0.435 56.255 55.803 0.029 0.000 0.877 31 Q CB 0.819 29.608 28.738 0.085 0.000 1.629 31 Q HN 0.941 nan 8.270 nan 0.000 0.549 32 A N 2.105 124.872 122.820 -0.089 0.000 2.095 32 A HA -0.069 4.244 4.320 -0.012 0.000 0.212 32 A C 1.286 178.795 177.584 -0.125 0.000 1.162 32 A CA 0.703 52.637 52.037 -0.171 0.000 0.753 32 A CB 0.315 19.216 19.000 -0.165 0.000 0.840 32 A HN 0.587 nan 8.150 nan 0.000 0.468 33 D N -0.151 120.209 120.400 -0.067 0.000 2.325 33 D HA 0.171 4.804 4.640 -0.012 0.000 0.225 33 D C -0.107 176.176 176.300 -0.029 0.000 1.096 33 D CA 0.509 54.482 54.000 -0.044 0.000 0.844 33 D CB 0.200 40.986 40.800 -0.023 0.000 0.925 33 D HN 0.231 nan 8.370 nan 0.000 0.513 34 V N -2.092 117.808 119.914 -0.024 0.000 2.623 34 V HA 0.608 4.721 4.120 -0.012 0.000 0.304 34 V C -2.726 173.377 176.094 0.015 0.000 1.054 34 V CA -2.372 59.929 62.300 0.002 0.000 0.882 34 V CB 1.463 33.299 31.823 0.021 0.000 1.002 34 V HN -0.190 nan 8.190 nan 0.000 0.424 35 P HA 0.242 nan 4.420 nan 0.000 0.266 35 P C -2.207 175.145 177.300 0.086 0.000 1.195 35 P CA -0.940 62.175 63.100 0.025 0.000 0.768 35 P CB 0.110 31.817 31.700 0.012 0.000 0.838 36 P HA -0.203 nan 4.420 nan 0.000 0.224 36 P C 1.188 178.541 177.300 0.088 0.000 1.142 36 P CA 1.117 64.335 63.100 0.196 0.000 0.778 36 P CB 0.102 31.912 31.700 0.183 0.000 0.764 37 E N -0.136 120.096 120.200 0.053 0.000 2.152 37 E HA -0.099 4.244 4.350 -0.012 0.000 0.192 37 E C 0.622 177.239 176.600 0.028 0.000 0.983 37 E CA 0.792 57.208 56.400 0.026 0.000 0.818 37 E CB -0.347 29.362 29.700 0.014 0.000 0.758 37 E HN 0.005 nan 8.360 nan 0.000 0.467 38 K N 0.667 121.090 120.400 0.039 0.000 2.397 38 K HA -0.008 4.305 4.320 -0.012 0.000 0.265 38 K C 0.033 176.651 176.600 0.029 0.000 0.982 38 K CA 0.002 56.308 56.287 0.032 0.000 0.931 38 K CB 0.370 32.893 32.500 0.038 0.000 0.943 38 K HN -0.061 nan 8.250 nan 0.000 0.501 39 R N 1.950 122.461 120.500 0.018 0.000 3.070 39 R HA 0.091 4.424 4.340 -0.012 0.000 0.252 39 R C -0.918 175.386 176.300 0.007 0.000 1.370 39 R CA 0.155 56.263 56.100 0.012 0.000 1.482 39 R CB -0.027 30.278 30.300 0.007 0.000 1.220 39 R HN 0.491 nan 8.270 nan 0.000 0.622 40 E N 1.726 121.929 120.200 0.005 0.000 2.313 40 E HA 0.096 4.439 4.350 -0.012 0.000 0.280 40 E C -1.210 175.371 176.600 -0.032 0.000 0.898 40 E CA -0.480 55.914 56.400 -0.010 0.000 0.803 40 E CB 1.523 31.219 29.700 -0.007 0.000 1.286 40 E HN 0.657 nan 8.360 nan 0.000 0.401 41 N N 1.319 119.994 118.700 -0.041 0.000 2.696 41 N HA 0.270 5.003 4.740 -0.012 0.000 0.308 41 N C -0.553 174.904 175.510 -0.088 0.000 1.915 41 N CA -0.307 52.703 53.050 -0.067 0.000 0.906 41 N CB 0.841 39.313 38.487 -0.026 0.000 1.284 41 N HN -0.025 nan 8.380 nan 0.000 0.488 42 V N -0.618 119.226 119.914 -0.118 0.000 3.267 42 V HA 0.650 4.763 4.120 -0.012 0.000 0.317 42 V C 1.728 177.674 176.094 -0.246 0.000 1.131 42 V CA -0.025 62.180 62.300 -0.158 0.000 1.031 42 V CB 0.884 32.640 31.823 -0.111 0.000 1.159 42 V HN 0.529 nan 8.190 nan 0.000 0.454 43 G N 0.673 109.253 108.800 -0.366 0.000 2.690 43 G HA2 -0.373 3.580 3.960 -0.012 0.000 0.362 43 G HA3 -0.373 3.580 3.960 -0.012 0.000 0.362 43 G C 0.859 175.547 174.900 -0.354 0.000 1.132 43 G CA 1.490 46.347 45.100 -0.405 0.000 0.922 43 G HN 0.633 nan 8.290 nan 0.000 0.595 44 I N 0.824 121.161 120.570 -0.390 0.000 2.099 44 I HA -0.122 4.041 4.170 -0.012 0.000 0.239 44 I C 2.855 178.723 176.117 -0.415 0.000 1.066 44 I CA 2.600 63.602 61.300 -0.497 0.000 1.324 44 I CB -0.742 36.945 38.000 -0.522 0.000 1.037 44 I HN 0.596 nan 8.210 nan 0.000 0.401 45 Q N 0.312 119.854 119.800 -0.430 0.000 2.181 45 Q HA -0.166 4.167 4.340 -0.012 0.000 0.205 45 Q C 2.103 178.009 176.000 -0.157 0.000 0.980 45 Q CA 2.009 57.572 55.803 -0.401 0.000 0.862 45 Q CB -0.238 28.287 28.738 -0.355 0.000 0.905 45 Q HN 0.542 nan 8.270 nan 0.000 0.429 46 A N 0.263 122.992 122.820 -0.152 0.000 1.832 46 A HA 0.013 4.326 4.320 -0.012 0.000 0.214 46 A C 2.324 179.895 177.584 -0.022 0.000 1.204 46 A CA 1.624 53.609 52.037 -0.087 0.000 0.606 46 A CB -1.451 17.450 19.000 -0.164 0.000 0.849 46 A HN 0.517 nan 8.150 nan 0.000 0.445 47 A N -0.844 121.958 122.820 -0.030 0.000 1.884 47 A HA -0.156 4.157 4.320 -0.012 0.000 0.219 47 A C 1.969 179.643 177.584 0.150 0.000 1.197 47 A CA 2.013 54.103 52.037 0.089 0.000 0.637 47 A CB -0.955 18.181 19.000 0.228 0.000 0.827 47 A HN 0.460 nan 8.150 nan 0.000 0.450 48 F N -0.303 119.606 119.950 -0.067 0.000 2.005 48 F HA -0.218 4.302 4.527 -0.012 0.000 0.297 48 F C 2.433 178.229 175.800 -0.007 0.000 1.175 48 F CA 2.226 60.153 58.000 -0.122 0.000 1.192 48 F CB -0.967 37.817 39.000 -0.359 0.000 0.953 48 F HN 0.249 nan 8.300 nan 0.000 0.504 49 R N 0.875 121.505 120.500 0.217 0.000 2.189 49 R HA -0.283 4.050 4.340 -0.012 0.000 0.252 49 R C 2.182 178.554 176.300 0.121 0.000 1.134 49 R CA 2.324 58.554 56.100 0.216 0.000 0.954 49 R CB -1.109 29.288 30.300 0.162 0.000 0.890 49 R HN 0.555 nan 8.270 nan 0.000 0.443 50 E N -1.357 118.880 120.200 0.061 0.000 2.160 50 E HA -0.129 4.214 4.350 -0.012 0.000 0.195 50 E C -0.045 176.535 176.600 -0.033 0.000 0.991 50 E CA 1.648 58.057 56.400 0.016 0.000 0.810 50 E CB 0.040 29.751 29.700 0.017 0.000 0.742 50 E HN 0.439 nan 8.360 nan 0.000 0.466 51 T N 0.217 114.714 114.554 -0.095 0.000 3.275 51 T HA 0.196 4.539 4.350 -0.012 0.000 0.265 51 T C -0.203 174.274 174.700 -0.373 0.000 0.978 51 T CA -0.390 61.575 62.100 -0.226 0.000 0.923 51 T CB 0.016 68.702 68.868 -0.303 0.000 1.126 51 T HN 0.057 nan 8.240 nan 0.000 0.538 52 F N 1.362 121.228 119.950 -0.140 0.000 2.495 52 F HA 0.329 4.849 4.527 -0.012 0.000 0.271 52 F C -1.920 173.831 175.800 -0.082 0.000 0.889 52 F CA -0.775 57.143 58.000 -0.137 0.000 1.129 52 F CB -0.769 38.166 39.000 -0.108 0.000 1.169 52 F HN -0.094 nan 8.300 nan 0.000 0.781 53 P HA -0.068 nan 4.420 nan 0.000 0.237 53 P C -0.452 176.863 177.300 0.025 0.000 1.149 53 P CA 0.617 63.764 63.100 0.078 0.000 1.254 53 P CB -0.427 31.296 31.700 0.039 0.000 1.382 54 I N 2.376 122.966 120.570 0.033 0.000 2.256 54 I HA 0.085 4.248 4.170 -0.012 0.000 0.294 54 I C 0.571 176.683 176.117 -0.008 0.000 1.127 54 I CA -0.037 61.260 61.300 -0.005 0.000 1.247 54 I CB -0.313 37.684 38.000 -0.005 0.000 1.460 54 I HN 0.053 nan 8.210 nan 0.000 0.511 55 E N 6.188 126.374 120.200 -0.024 0.000 2.325 55 E HA 0.048 4.391 4.350 -0.012 0.000 0.295 55 E C -0.541 176.050 176.600 -0.014 0.000 1.461 55 E CA -0.102 56.287 56.400 -0.017 0.000 1.698 55 E CB 0.013 29.698 29.700 -0.026 0.000 1.496 55 E HN 0.495 nan 8.360 nan 0.000 0.474 56 E N 1.583 121.778 120.200 -0.008 0.000 1.939 56 E HA -0.073 4.270 4.350 -0.012 0.000 0.259 56 E C 0.624 177.229 176.600 0.008 0.000 1.259 56 E CA 0.188 56.586 56.400 -0.003 0.000 0.971 56 E CB 0.550 30.249 29.700 -0.002 0.000 1.055 56 E HN 0.510 nan 8.360 nan 0.000 0.420 57 E N 2.633 122.840 120.200 0.012 0.000 2.002 57 E HA -0.086 4.257 4.350 -0.012 0.000 0.196 57 E C -0.191 176.423 176.600 0.022 0.000 0.974 57 E CA 0.733 57.145 56.400 0.021 0.000 0.853 57 E CB 0.395 30.112 29.700 0.028 0.000 0.808 57 E HN 0.280 nan 8.360 nan 0.000 0.492 58 D N -0.502 119.912 120.400 0.024 0.000 2.502 58 D HA 0.242 4.875 4.640 -0.012 0.000 0.249 58 D C -0.297 176.016 176.300 0.020 0.000 1.092 58 D CA -0.283 53.730 54.000 0.022 0.000 0.839 58 D CB 1.703 42.517 40.800 0.024 0.000 1.264 58 D HN 0.066 nan 8.370 nan 0.000 0.511 59 K N 0.704 121.114 120.400 0.017 0.000 2.617 59 K HA 0.291 4.604 4.320 -0.012 0.000 0.184 59 K C 0.582 177.189 176.600 0.012 0.000 1.295 59 K CA -0.144 56.151 56.287 0.015 0.000 1.112 59 K CB 2.034 34.542 32.500 0.013 0.000 1.069 59 K HN 0.680 nan 8.250 nan 0.000 0.570 60 G N 0.906 109.713 108.800 0.013 0.000 1.924 60 G HA2 -0.037 3.916 3.960 -0.012 0.000 0.077 60 G HA3 -0.037 3.916 3.960 -0.012 0.000 0.077 60 G C -1.265 173.642 174.900 0.011 0.000 1.448 60 G CA -0.356 44.750 45.100 0.010 0.000 1.087 60 G HN -0.038 nan 8.290 nan 0.000 0.304 61 K N 0.488 120.895 120.400 0.012 0.000 2.523 61 K HA 0.585 4.898 4.320 -0.012 0.000 0.257 61 K C 0.088 176.700 176.600 0.019 0.000 0.932 61 K CA 0.228 56.523 56.287 0.014 0.000 0.812 61 K CB 1.599 34.104 32.500 0.008 0.000 1.326 61 K HN 1.425 nan 8.250 nan 0.000 0.433 62 G N 0.914 109.730 108.800 0.027 0.000 2.467 62 G HA2 0.115 4.068 3.960 -0.012 0.000 0.103 62 G HA3 0.115 4.068 3.960 -0.012 0.000 0.103 62 G C 0.259 175.187 174.900 0.046 0.000 1.456 62 G CA 0.587 45.710 45.100 0.039 0.000 1.071 62 G HN 1.197 nan 8.290 nan 0.000 0.307 63 G N 0.147 108.968 108.800 0.035 0.000 2.350 63 G HA2 0.109 4.062 3.960 -0.012 0.000 0.298 63 G HA3 0.109 4.062 3.960 -0.012 0.000 0.298 63 G C 0.049 174.971 174.900 0.037 0.000 1.037 63 G CA 0.775 45.895 45.100 0.033 0.000 1.074 63 G HN 1.505 nan 8.290 nan 0.000 0.511 64 L N 0.925 122.168 121.223 0.032 0.000 2.257 64 L HA 0.670 5.003 4.340 -0.012 0.000 0.290 64 L C 0.260 177.132 176.870 0.003 0.000 1.044 64 L CA -0.759 54.095 54.840 0.023 0.000 0.810 64 L CB 1.727 43.805 42.059 0.031 0.000 1.193 64 L HN 0.071 nan 8.230 nan 0.000 0.425 65 V N 6.463 126.369 119.914 -0.013 0.000 2.432 65 V HA 0.361 4.474 4.120 -0.012 0.000 0.275 65 V C -0.331 175.748 176.094 -0.024 0.000 1.043 65 V CA -0.484 61.809 62.300 -0.013 0.000 0.925 65 V CB 1.336 33.149 31.823 -0.016 0.000 0.985 65 V HN 0.592 nan 8.190 nan 0.000 0.466 66 L N 5.458 126.683 121.223 0.004 0.000 2.388 66 L HA 0.611 4.944 4.340 -0.012 0.000 0.267 66 L C -0.379 176.503 176.870 0.020 0.000 0.995 66 L CA 0.148 54.995 54.840 0.012 0.000 0.864 66 L CB 1.087 43.184 42.059 0.063 0.000 1.216 66 L HN 0.587 nan 8.230 nan 0.000 0.430 67 D N 2.371 122.724 120.400 -0.079 0.000 2.478 67 D HA 0.330 4.963 4.640 -0.012 0.000 0.263 67 D C -1.047 175.001 176.300 -0.421 0.000 1.153 67 D CA -0.039 53.873 54.000 -0.146 0.000 1.038 67 D CB 1.651 42.390 40.800 -0.103 0.000 1.120 67 D HN 0.277 nan 8.370 nan 0.000 0.564 68 F N 0.545 120.135 119.950 -0.599 0.000 2.480 68 F HA 0.372 4.892 4.527 -0.012 0.000 0.329 68 F C -0.435 175.215 175.800 -0.251 0.000 1.091 68 F CA -0.557 57.016 58.000 -0.712 0.000 0.972 68 F CB 0.758 39.367 39.000 -0.651 0.000 1.150 68 F HN 0.208 nan 8.300 nan 0.000 0.467 69 L N 1.666 122.342 121.223 -0.912 0.000 3.076 69 L HA 0.398 4.731 4.340 -0.012 0.000 0.173 69 L C -0.415 175.825 176.870 -1.050 0.000 1.343 69 L CA -0.141 54.236 54.840 -0.771 0.000 0.894 69 L CB 0.085 41.949 42.059 -0.326 0.000 1.372 69 L HN 0.480 nan 8.230 nan 0.000 0.565 70 E N -0.012 119.890 120.200 -0.496 0.000 2.244 70 E HA 0.267 4.610 4.350 -0.012 0.000 0.260 70 E C -1.638 175.258 176.600 0.494 0.000 0.884 70 E CA -0.446 55.933 56.400 -0.036 0.000 0.777 70 E CB 1.619 31.323 29.700 0.006 0.000 1.197 70 E HN 0.171 nan 8.360 nan 0.000 0.416 71 Y N 1.663 122.321 120.300 0.597 0.000 2.300 71 Y HA 0.638 5.181 4.550 -0.012 0.000 0.328 71 Y C 0.188 176.195 175.900 0.178 0.000 1.270 71 Y CA -1.027 57.314 58.100 0.402 0.000 1.352 71 Y CB 0.977 39.457 38.460 0.033 0.000 1.286 71 Y HN 0.530 nan 8.280 nan 0.000 0.536 72 R N 1.887 122.296 120.500 -0.153 0.000 2.728 72 R HA 0.568 4.901 4.340 -0.012 0.000 0.259 72 R C -2.786 173.390 176.300 -0.207 0.000 1.057 72 R CA -0.868 55.060 56.100 -0.286 0.000 0.908 72 R CB 0.717 30.962 30.300 -0.093 0.000 1.259 72 R HN 0.751 nan 8.270 nan 0.000 0.472 73 L N 0.707 121.782 121.223 -0.246 0.000 2.301 73 L HA 0.859 5.192 4.340 -0.012 0.000 0.264 73 L C 0.736 177.498 176.870 -0.179 0.000 1.016 73 L CA 0.248 54.944 54.840 -0.240 0.000 0.821 73 L CB 2.326 44.251 42.059 -0.223 0.000 1.346 73 L HN 1.037 nan 8.230 nan 0.000 0.429 74 G N -0.489 108.204 108.800 -0.178 0.000 3.408 74 G HA2 0.226 4.179 3.960 -0.012 0.000 0.214 74 G HA3 0.226 4.179 3.960 -0.012 0.000 0.214 74 G C -0.514 174.322 174.900 -0.107 0.000 1.557 74 G CA -0.012 45.019 45.100 -0.115 0.000 0.801 74 G HN 0.469 nan 8.290 nan 0.000 0.883 75 E N 1.236 121.355 120.200 -0.136 0.000 2.361 75 E HA 0.415 4.758 4.350 -0.012 0.000 0.270 75 E C -2.905 173.597 176.600 -0.163 0.000 0.911 75 E CA -1.493 54.834 56.400 -0.120 0.000 0.818 75 E CB 3.071 32.713 29.700 -0.096 0.000 1.332 75 E HN 0.090 nan 8.360 nan 0.000 0.402 76 P HA 0.035 nan 4.420 nan 0.000 0.268 76 P C -1.883 175.342 177.300 -0.124 0.000 1.205 76 P CA -0.946 62.061 63.100 -0.155 0.000 0.771 76 P CB 0.373 32.039 31.700 -0.057 0.000 0.858 77 P HA -0.096 nan 4.420 nan 0.000 0.216 77 P C -0.396 176.687 177.300 -0.362 0.000 1.150 77 P CA 1.580 64.581 63.100 -0.165 0.000 0.843 77 P CB 0.068 31.825 31.700 0.095 0.000 0.787 78 F N -3.178 116.778 119.950 0.009 0.000 2.662 78 F HA 0.414 4.934 4.527 -0.012 0.000 0.312 78 F C -2.379 173.462 175.800 0.068 0.000 1.113 78 F CA -2.474 55.543 58.000 0.029 0.000 0.951 78 F CB 0.661 39.674 39.000 0.021 0.000 1.344 78 F HN -0.349 nan 8.300 nan 0.000 0.462 79 P HA 0.247 nan 4.420 nan 0.000 0.278 79 P C -0.437 176.839 177.300 -0.040 0.000 1.258 79 P CA -0.234 62.909 63.100 0.071 0.000 0.811 79 P CB 1.324 33.047 31.700 0.037 0.000 1.063 80 Q N 0.345 119.980 119.800 -0.276 0.000 1.927 80 Q HA -0.230 4.102 4.340 -0.012 0.000 0.210 80 Q C 1.657 177.564 176.000 -0.155 0.000 1.001 80 Q CA 2.336 57.916 55.803 -0.372 0.000 0.862 80 Q CB -0.729 27.722 28.738 -0.477 0.000 0.934 80 Q HN 0.502 nan 8.270 nan 0.000 0.420 81 D N 0.186 120.519 120.400 -0.111 0.000 2.218 81 D HA -0.235 4.398 4.640 -0.012 0.000 0.194 81 D C 1.612 177.914 176.300 0.002 0.000 1.007 81 D CA 1.603 55.580 54.000 -0.039 0.000 0.879 81 D CB -0.048 40.746 40.800 -0.010 0.000 0.918 81 D HN 0.300 nan 8.370 nan 0.000 0.449 82 E N -0.917 119.288 120.200 0.007 0.000 2.216 82 E HA -0.074 4.269 4.350 -0.012 0.000 0.192 82 E C 1.292 177.878 176.600 -0.024 0.000 0.988 82 E CA 0.450 56.863 56.400 0.022 0.000 0.834 82 E CB 0.116 29.872 29.700 0.093 0.000 0.772 82 E HN 0.306 nan 8.360 nan 0.000 0.479 83 C N 0.554 119.837 119.300 -0.028 0.000 2.466 83 C HA 0.089 4.542 4.460 -0.012 0.000 0.283 83 C C 2.149 177.116 174.990 -0.039 0.000 1.472 83 C CA 0.313 59.304 59.018 -0.045 0.000 1.765 83 C CB -1.100 26.637 27.740 -0.004 0.000 1.724 83 C HN 0.329 nan 8.230 nan 0.000 0.560 84 R N -0.369 120.118 120.500 -0.022 0.000 2.316 84 R HA 0.058 4.391 4.340 -0.012 0.000 0.201 84 R C 1.997 178.314 176.300 0.028 0.000 0.888 84 R CA 0.056 56.158 56.100 0.003 0.000 1.041 84 R CB -0.019 30.291 30.300 0.017 0.000 1.115 84 R HN 0.535 nan 8.270 nan 0.000 0.559 85 E N 1.034 121.245 120.200 0.018 0.000 2.046 85 E HA -0.087 4.256 4.350 -0.012 0.000 0.190 85 E C 0.183 176.785 176.600 0.003 0.000 0.982 85 E CA 1.207 57.618 56.400 0.019 0.000 0.800 85 E CB 0.407 30.110 29.700 0.005 0.000 0.756 85 E HN -0.065 nan 8.360 nan 0.000 0.449 86 K N 0.245 120.623 120.400 -0.037 0.000 2.836 86 K HA 0.187 4.500 4.320 -0.012 0.000 0.300 86 K C -0.794 175.774 176.600 -0.053 0.000 1.004 86 K CA 0.011 56.261 56.287 -0.062 0.000 1.140 86 K CB 0.518 32.934 32.500 -0.140 0.000 1.458 86 K HN -0.151 nan 8.250 nan 0.000 0.550 87 D N 0.730 121.088 120.400 -0.069 0.000 2.739 87 D HA 0.249 4.882 4.640 -0.012 0.000 0.335 87 D C -1.104 175.160 176.300 -0.060 0.000 1.216 87 D CA -0.215 53.756 54.000 -0.049 0.000 0.808 87 D CB -0.069 40.716 40.800 -0.025 0.000 1.121 87 D HN 0.299 nan 8.370 nan 0.000 0.499 88 L N -2.710 118.464 121.223 -0.081 0.000 2.301 88 L HA 0.775 5.108 4.340 -0.012 0.000 0.264 88 L C 0.136 176.992 176.870 -0.025 0.000 1.016 88 L CA -0.940 53.857 54.840 -0.070 0.000 0.821 88 L CB 1.474 43.447 42.059 -0.144 0.000 1.346 88 L HN -0.226 nan 8.230 nan 0.000 0.429 89 T N -0.220 114.328 114.554 -0.009 0.000 2.828 89 T HA 0.143 4.486 4.350 -0.012 0.000 0.290 89 T C -0.809 173.929 174.700 0.062 0.000 1.019 89 T CA 0.335 62.438 62.100 0.005 0.000 1.031 89 T CB 0.379 69.216 68.868 -0.051 0.000 1.001 89 T HN 0.519 nan 8.240 nan 0.000 0.531 90 Y N 2.388 122.642 120.300 -0.077 0.000 2.880 90 Y HA 0.325 4.868 4.550 -0.012 0.000 0.329 90 Y C 0.591 176.428 175.900 -0.104 0.000 1.156 90 Y CA -0.932 57.133 58.100 -0.058 0.000 1.348 90 Y CB -0.714 37.733 38.460 -0.021 0.000 1.280 90 Y HN 0.604 nan 8.280 nan 0.000 0.516 91 Q N 2.890 122.522 119.800 -0.279 0.000 2.500 91 Q HA 0.849 5.181 4.340 -0.012 0.000 0.173 91 Q C -0.781 174.934 176.000 -0.475 0.000 1.079 91 Q CA -0.440 55.144 55.803 -0.365 0.000 0.960 91 Q CB 0.656 29.247 28.738 -0.245 0.000 2.832 91 Q HN 0.642 nan 8.270 nan 0.000 0.476 92 A N -0.268 122.328 122.820 -0.374 0.000 2.583 92 A HA 0.503 4.816 4.320 -0.012 0.000 0.292 92 A C -2.812 174.652 177.584 -0.199 0.000 1.045 92 A CA -1.143 50.695 52.037 -0.331 0.000 0.672 92 A CB 0.913 19.737 19.000 -0.293 0.000 1.283 92 A HN 0.288 nan 8.150 nan 0.000 0.419 93 P HA 0.491 nan 4.420 nan 0.000 0.276 93 P C -0.987 176.126 177.300 -0.312 0.000 1.235 93 P CA 0.004 62.981 63.100 -0.205 0.000 0.772 93 P CB 0.761 32.199 31.700 -0.436 0.000 0.871 94 L N 6.312 127.373 121.223 -0.269 0.000 2.485 94 L HA 0.480 4.813 4.340 -0.012 0.000 0.260 94 L C -1.600 175.253 176.870 -0.028 0.000 0.998 94 L CA -0.666 54.061 54.840 -0.189 0.000 0.883 94 L CB 0.161 42.217 42.059 -0.005 0.000 1.196 94 L HN 0.261 nan 8.230 nan 0.000 0.443 95 Y N 2.541 122.955 120.300 0.191 0.000 2.669 95 Y HA 0.996 5.539 4.550 -0.012 0.000 0.335 95 Y C -0.539 175.537 175.900 0.294 0.000 1.116 95 Y CA -1.537 56.724 58.100 0.268 0.000 1.081 95 Y CB 1.106 39.731 38.460 0.275 0.000 1.297 95 Y HN 0.598 nan 8.280 nan 0.000 0.484 96 A N 0.740 123.921 122.820 0.602 0.000 2.549 96 A HA 0.707 5.020 4.320 -0.012 0.000 0.297 96 A C -1.252 176.556 177.584 0.372 0.000 1.061 96 A CA -1.306 51.083 52.037 0.586 0.000 0.690 96 A CB 1.341 20.928 19.000 0.977 0.000 1.287 96 A HN 0.768 nan 8.150 nan 0.000 0.402 97 R N 1.275 121.911 120.500 0.226 0.000 2.351 97 R HA 0.397 4.729 4.340 -0.012 0.000 0.318 97 R C -0.836 175.478 176.300 0.022 0.000 1.055 97 R CA 0.297 56.442 56.100 0.074 0.000 0.968 97 R CB -0.044 30.256 30.300 0.000 0.000 0.974 97 R HN 0.566 nan 8.270 nan 0.000 0.439 98 L N 3.123 124.354 121.223 0.014 0.000 2.330 98 L HA 0.467 4.800 4.340 -0.012 0.000 0.271 98 L C -0.045 176.790 176.870 -0.058 0.000 1.013 98 L CA -0.927 53.883 54.840 -0.049 0.000 0.816 98 L CB 1.747 43.810 42.059 0.006 0.000 1.287 98 L HN 0.622 nan 8.230 nan 0.000 0.435 99 Q N 1.943 121.691 119.800 -0.086 0.000 2.353 99 Q HA 0.668 5.001 4.340 -0.012 0.000 0.275 99 Q C -1.787 174.155 176.000 -0.097 0.000 1.029 99 Q CA -1.060 54.693 55.803 -0.084 0.000 0.848 99 Q CB 2.264 30.950 28.738 -0.088 0.000 1.390 99 Q HN 0.455 nan 8.270 nan 0.000 0.401 100 L N -0.351 120.798 121.223 -0.123 0.000 2.333 100 L HA 0.760 5.093 4.340 -0.012 0.000 0.269 100 L C -0.917 175.803 176.870 -0.250 0.000 1.010 100 L CA -1.037 53.709 54.840 -0.156 0.000 0.818 100 L CB 1.103 43.074 42.059 -0.146 0.000 1.306 100 L HN 0.624 nan 8.230 nan 0.000 0.430 101 I N 1.154 121.597 120.570 -0.211 0.000 2.607 101 I HA 0.456 4.619 4.170 -0.012 0.000 0.305 101 I C -0.337 175.652 176.117 -0.212 0.000 0.995 101 I CA -0.278 60.904 61.300 -0.197 0.000 1.148 101 I CB 1.324 39.279 38.000 -0.075 0.000 1.323 101 I HN 0.624 nan 8.210 nan 0.000 0.461 102 H N 4.692 123.762 119.070 -0.001 0.000 2.505 102 H HA 0.305 4.854 4.556 -0.012 0.000 0.338 102 H C 0.125 175.453 175.328 0.001 0.000 1.057 102 H CA -0.680 55.368 56.048 0.000 0.000 1.202 102 H CB 1.824 31.585 29.762 -0.001 0.000 1.466 102 H HN 0.230 nan 8.280 nan 0.000 0.499 103 K N 2.443 122.923 120.400 0.134 0.000 2.878 103 K HA 0.047 4.360 4.320 -0.012 0.000 0.242 103 K C -0.167 176.468 176.600 0.057 0.000 0.985 103 K CA 0.338 56.668 56.287 0.072 0.000 1.168 103 K CB 0.042 32.574 32.500 0.052 0.000 0.993 103 K HN 0.625 nan 8.250 nan 0.000 0.476 104 D N -0.959 119.487 120.400 0.076 0.000 3.208 104 D HA 0.099 4.732 4.640 -0.012 0.000 0.138 104 D C -0.363 175.967 176.300 0.050 0.000 1.289 104 D CA -0.141 53.880 54.000 0.035 0.000 1.530 104 D CB 0.383 41.173 40.800 -0.017 0.000 1.601 104 D HN -0.226 nan 8.370 nan 0.000 0.238 105 T N 0.201 114.777 114.554 0.037 0.000 2.815 105 T HA 0.630 4.973 4.350 -0.012 0.000 0.289 105 T C -0.064 174.705 174.700 0.115 0.000 1.000 105 T CA -0.344 61.786 62.100 0.051 0.000 0.958 105 T CB 1.315 70.192 68.868 0.015 0.000 0.944 105 T HN 0.722 nan 8.240 nan 0.000 0.442 106 G N 2.209 111.094 108.800 0.141 0.000 2.841 106 G HA2 0.098 4.051 3.960 -0.012 0.000 0.684 106 G HA3 0.098 4.051 3.960 -0.012 0.000 0.684 106 G C -0.954 174.012 174.900 0.109 0.000 1.273 106 G CA -1.114 44.097 45.100 0.186 0.000 0.811 106 G HN 0.765 nan 8.290 nan 0.000 0.631 107 L N 3.104 124.330 121.223 0.004 0.000 2.861 107 L HA 0.344 4.677 4.340 -0.012 0.000 0.290 107 L C 1.039 177.860 176.870 -0.081 0.000 1.346 107 L CA -0.717 54.070 54.840 -0.089 0.000 0.779 107 L CB 0.348 42.373 42.059 -0.056 0.000 1.143 107 L HN 0.558 nan 8.230 nan 0.000 0.548 108 I N 1.539 122.064 120.570 -0.075 0.000 3.087 108 I HA -0.199 3.964 4.170 -0.012 0.000 0.318 108 I C 0.790 176.872 176.117 -0.058 0.000 1.209 108 I CA 1.048 62.323 61.300 -0.041 0.000 1.460 108 I CB 0.151 38.142 38.000 -0.015 0.000 1.306 108 I HN 0.450 nan 8.210 nan 0.000 0.560 109 K N 5.657 126.034 120.400 -0.039 0.000 2.592 109 K HA 0.249 4.562 4.320 -0.012 0.000 0.212 109 K C -0.741 175.840 176.600 -0.032 0.000 1.013 109 K CA -0.527 55.734 56.287 -0.043 0.000 1.034 109 K CB 0.720 33.193 32.500 -0.044 0.000 1.292 109 K HN 0.448 nan 8.250 nan 0.000 0.521 110 E N 4.381 124.564 120.200 -0.027 0.000 1.986 110 E HA 0.023 4.366 4.350 -0.012 0.000 0.264 110 E C 0.279 176.869 176.600 -0.017 0.000 1.023 110 E CA -0.389 55.999 56.400 -0.020 0.000 0.834 110 E CB 0.335 30.028 29.700 -0.012 0.000 1.111 110 E HN 0.597 nan 8.360 nan 0.000 0.417 111 D N 3.335 123.718 120.400 -0.028 0.000 1.440 111 D HA -0.206 4.426 4.640 -0.012 0.000 0.325 111 D C -0.187 176.095 176.300 -0.030 0.000 1.491 111 D CA 0.637 54.620 54.000 -0.029 0.000 1.210 111 D CB -0.376 40.394 40.800 -0.051 0.000 2.353 111 D HN 0.395 nan 8.370 nan 0.000 0.734 112 E N 0.109 120.232 120.200 -0.128 0.000 2.820 112 E HA 0.132 4.475 4.350 -0.012 0.000 0.251 112 E C -0.378 176.159 176.600 -0.105 0.000 0.944 112 E CA 0.375 56.588 56.400 -0.311 0.000 0.955 112 E CB 0.500 29.794 29.700 -0.676 0.000 0.904 112 E HN 0.224 nan 8.360 nan 0.000 0.513 113 V N 4.603 124.582 119.914 0.109 0.000 2.595 113 V HA 0.088 4.201 4.120 -0.012 0.000 0.269 113 V C -0.562 175.780 176.094 0.413 0.000 0.982 113 V CA -0.905 61.506 62.300 0.184 0.000 0.873 113 V CB -0.223 31.673 31.823 0.122 0.000 1.051 113 V HN 0.487 nan 8.190 nan 0.000 0.466 114 F N 3.822 124.010 119.950 0.397 0.000 2.541 114 F HA 0.522 5.042 4.527 -0.012 0.000 0.347 114 F C 0.680 176.509 175.800 0.049 0.000 1.242 114 F CA -1.187 56.977 58.000 0.274 0.000 1.123 114 F CB -0.133 38.986 39.000 0.199 0.000 1.354 114 F HN 0.436 nan 8.300 nan 0.000 0.621 115 L N 2.761 124.069 121.223 0.142 0.000 2.821 115 L HA 0.779 5.112 4.340 -0.012 0.000 0.239 115 L C 0.556 177.424 176.870 -0.004 0.000 1.391 115 L CA 0.050 54.906 54.840 0.027 0.000 1.231 115 L CB -1.079 41.014 42.059 0.057 0.000 1.598 115 L HN 1.002 nan 8.230 nan 0.000 0.428 116 G N -0.199 108.554 108.800 -0.077 0.000 2.466 116 G HA2 -0.075 3.878 3.960 -0.012 0.000 0.316 116 G HA3 -0.075 3.878 3.960 -0.012 0.000 0.316 116 G C -1.231 173.478 174.900 -0.319 0.000 1.270 116 G CA -0.789 44.228 45.100 -0.139 0.000 0.982 116 G HN 0.536 nan 8.290 nan 0.000 0.506 117 H N -0.996 118.117 119.070 0.072 0.000 2.806 117 H HA 0.639 5.188 4.556 -0.012 0.000 0.367 117 H C -0.570 174.739 175.328 -0.032 0.000 1.136 117 H CA -0.320 55.729 56.048 0.002 0.000 1.178 117 H CB 2.021 31.767 29.762 -0.026 0.000 1.718 117 H HN 0.730 nan 8.280 nan 0.000 0.540 118 I N 4.167 124.775 120.570 0.064 0.000 2.339 118 I HA 0.343 4.506 4.170 -0.012 0.000 0.290 118 I C -2.520 173.475 176.117 -0.204 0.000 0.994 118 I CA -2.129 59.147 61.300 -0.040 0.000 1.191 118 I CB 1.759 39.751 38.000 -0.013 0.000 1.343 118 I HN 0.218 nan 8.210 nan 0.000 0.458 119 P HA 0.126 nan 4.420 nan 0.000 0.270 119 P C -1.086 175.990 177.300 -0.373 0.000 1.221 119 P CA 0.094 62.845 63.100 -0.583 0.000 0.788 119 P CB 0.524 31.448 31.700 -1.294 0.000 0.904 120 L N 0.673 121.699 121.223 -0.328 0.000 2.333 120 L HA 0.555 4.888 4.340 -0.012 0.000 0.263 120 L C 0.033 177.083 176.870 0.299 0.000 1.014 120 L CA -1.023 53.801 54.840 -0.026 0.000 0.820 120 L CB 1.903 43.820 42.059 -0.237 0.000 1.352 120 L HN 0.328 nan 8.230 nan 0.000 0.421 121 M N 1.008 120.906 119.600 0.497 0.000 2.209 121 M HA 0.326 4.799 4.480 -0.012 0.000 0.355 121 M C -0.332 176.152 176.300 0.306 0.000 1.171 121 M CA -0.283 55.328 55.300 0.519 0.000 1.069 121 M CB 1.455 34.299 32.600 0.408 0.000 1.622 121 M HN 0.600 nan 8.290 nan 0.000 0.459 122 T N 2.910 117.586 114.554 0.203 0.000 2.802 122 T HA 0.026 4.369 4.350 -0.012 0.000 0.305 122 T C 1.130 175.867 174.700 0.060 0.000 1.053 122 T CA -0.381 61.785 62.100 0.109 0.000 1.058 122 T CB 0.558 69.439 68.868 0.021 0.000 0.988 122 T HN 0.668 nan 8.240 nan 0.000 0.539 123 E N 0.727 120.949 120.200 0.038 0.000 2.331 123 E HA -0.192 4.151 4.350 -0.012 0.000 0.199 123 E C 1.582 178.179 176.600 -0.005 0.000 1.008 123 E CA 1.483 57.897 56.400 0.022 0.000 0.843 123 E CB -0.018 29.687 29.700 0.009 0.000 0.761 123 E HN 0.767 nan 8.360 nan 0.000 0.507 124 D N -1.694 118.691 120.400 -0.025 0.000 2.216 124 D HA -0.005 4.628 4.640 -0.012 0.000 0.208 124 D C 1.440 177.697 176.300 -0.071 0.000 0.960 124 D CA 1.228 55.200 54.000 -0.047 0.000 0.861 124 D CB 0.299 41.063 40.800 -0.060 0.000 0.985 124 D HN 0.121 nan 8.370 nan 0.000 0.493 125 G N -0.545 108.198 108.800 -0.094 0.000 3.110 125 G HA2 -0.117 3.836 3.960 -0.012 0.000 0.205 125 G HA3 -0.117 3.836 3.960 -0.012 0.000 0.205 125 G C 0.425 175.119 174.900 -0.344 0.000 1.019 125 G CA 0.153 45.151 45.100 -0.171 0.000 0.826 125 G HN 0.715 nan 8.290 nan 0.000 0.481 126 S N 0.083 115.605 115.700 -0.297 0.000 2.686 126 S HA 0.839 5.301 4.470 -0.012 0.000 0.270 126 S C 0.081 174.504 174.600 -0.294 0.000 1.194 126 S CA -0.528 57.423 58.200 -0.415 0.000 0.990 126 S CB 1.306 64.368 63.200 -0.230 0.000 1.029 126 S HN 0.307 nan 8.310 nan 0.000 0.560 127 F N -0.745 119.197 119.950 -0.013 0.000 2.611 127 F HA 0.674 5.194 4.527 -0.012 0.000 0.374 127 F C -0.121 175.703 175.800 0.039 0.000 1.110 127 F CA -1.512 56.518 58.000 0.050 0.000 1.090 127 F CB 1.362 40.441 39.000 0.132 0.000 1.388 127 F HN 0.384 nan 8.300 nan 0.000 0.501 128 I N 1.405 122.155 120.570 0.301 0.000 2.500 128 I HA 0.227 4.390 4.170 -0.012 0.000 0.286 128 I C -0.656 175.531 176.117 0.115 0.000 1.063 128 I CA -0.290 61.098 61.300 0.147 0.000 1.062 128 I CB 1.946 40.014 38.000 0.114 0.000 1.223 128 I HN 0.494 nan 8.210 nan 0.000 0.435 129 I N 3.842 124.457 120.570 0.076 0.000 3.445 129 I HA 0.134 4.297 4.170 -0.012 0.000 0.288 129 I C 1.021 177.149 176.117 0.018 0.000 1.198 129 I CA 0.817 62.149 61.300 0.054 0.000 1.417 129 I CB 0.040 38.102 38.000 0.103 0.000 1.205 129 I HN 0.566 nan 8.210 nan 0.000 0.448 130 N N -0.472 118.225 118.700 -0.005 0.000 2.261 130 N HA 0.296 5.029 4.740 -0.012 0.000 0.241 130 N C 0.894 176.384 175.510 -0.034 0.000 1.374 130 N CA 0.885 53.925 53.050 -0.016 0.000 0.802 130 N CB 1.661 40.143 38.487 -0.009 0.000 1.339 130 N HN 0.275 nan 8.380 nan 0.000 0.498 131 G N 0.289 109.067 108.800 -0.037 0.000 2.284 131 G HA2 -0.084 3.869 3.960 -0.012 0.000 0.201 131 G HA3 -0.084 3.869 3.960 -0.012 0.000 0.201 131 G C -0.025 174.834 174.900 -0.069 0.000 0.998 131 G CA -0.037 45.039 45.100 -0.040 0.000 0.651 131 G HN 0.570 nan 8.290 nan 0.000 0.489 132 A N 0.716 123.465 122.820 -0.117 0.000 2.304 132 A HA 0.648 4.961 4.320 -0.012 0.000 0.323 132 A C -0.531 176.967 177.584 -0.145 0.000 1.195 132 A CA -0.327 51.591 52.037 -0.199 0.000 0.826 132 A CB 0.710 19.453 19.000 -0.427 0.000 1.184 132 A HN 0.132 nan 8.150 nan 0.000 0.496 133 D N 1.625 121.954 120.400 -0.118 0.000 2.450 133 D HA 0.293 4.926 4.640 -0.012 0.000 0.247 133 D C 0.276 176.534 176.300 -0.071 0.000 1.162 133 D CA 0.975 54.934 54.000 -0.069 0.000 0.879 133 D CB 0.459 41.219 40.800 -0.067 0.000 1.163 133 D HN 0.452 nan 8.370 nan 0.000 0.472 134 R N 0.949 121.436 120.500 -0.021 0.000 2.803 134 R HA 0.742 5.075 4.340 -0.012 0.000 0.276 134 R C -1.025 175.206 176.300 -0.114 0.000 0.978 134 R CA -0.975 55.121 56.100 -0.007 0.000 0.939 134 R CB 1.909 32.264 30.300 0.093 0.000 1.179 134 R HN 0.166 nan 8.270 nan 0.000 0.472 135 V N 3.228 123.030 119.914 -0.187 0.000 2.876 135 V HA 0.449 4.562 4.120 -0.012 0.000 0.312 135 V C -0.667 175.242 176.094 -0.308 0.000 1.085 135 V CA -0.924 61.142 62.300 -0.391 0.000 0.945 135 V CB 2.300 33.748 31.823 -0.625 0.000 1.017 135 V HN 0.564 nan 8.190 nan 0.000 0.428 136 I N 3.518 123.892 120.570 -0.327 0.000 2.321 136 I HA 0.334 4.497 4.170 -0.012 0.000 0.291 136 I C -0.015 176.020 176.117 -0.137 0.000 0.998 136 I CA -0.449 60.733 61.300 -0.197 0.000 1.227 136 I CB 1.579 39.499 38.000 -0.134 0.000 1.368 136 I HN 0.281 nan 8.210 nan 0.000 0.466 137 V N 6.112 125.993 119.914 -0.054 0.000 2.408 137 V HA 0.171 4.284 4.120 -0.012 0.000 0.267 137 V C 0.880 176.993 176.094 0.032 0.000 1.047 137 V CA -0.521 61.785 62.300 0.009 0.000 0.937 137 V CB 0.727 32.597 31.823 0.078 0.000 0.999 137 V HN 0.831 nan 8.190 nan 0.000 0.472 138 S N 4.320 120.036 115.700 0.026 0.000 2.550 138 S HA 0.122 4.585 4.470 -0.012 0.000 0.285 138 S C -0.093 174.532 174.600 0.042 0.000 1.326 138 S CA 0.044 58.267 58.200 0.037 0.000 1.037 138 S CB 0.354 63.568 63.200 0.022 0.000 0.838 138 S HN 0.853 nan 8.310 nan 0.000 0.519 139 Q N 0.487 120.312 119.800 0.041 0.000 2.416 139 Q HA 0.635 4.968 4.340 -0.012 0.000 0.281 139 Q C -1.577 174.403 176.000 -0.033 0.000 1.067 139 Q CA -0.703 55.120 55.803 0.032 0.000 0.809 139 Q CB 1.158 29.945 28.738 0.081 0.000 1.418 139 Q HN 0.709 nan 8.270 nan 0.000 0.411 140 I N 1.579 122.125 120.570 -0.040 0.000 2.750 140 I HA 0.602 4.765 4.170 -0.012 0.000 0.308 140 I C -0.570 175.523 176.117 -0.039 0.000 1.016 140 I CA -0.870 60.358 61.300 -0.121 0.000 1.098 140 I CB 1.631 39.595 38.000 -0.061 0.000 1.279 140 I HN 0.818 nan 8.210 nan 0.000 0.454 141 H N 0.628 119.730 119.070 0.054 0.000 2.887 141 H HA 0.459 5.008 4.556 -0.012 0.000 0.290 141 H C -1.207 174.161 175.328 0.066 0.000 1.429 141 H CA -1.297 54.791 56.048 0.066 0.000 1.137 141 H CB 0.595 30.407 29.762 0.083 0.000 1.824 141 H HN 0.262 nan 8.280 nan 0.000 0.520 142 R N 1.135 121.848 120.500 0.355 0.000 2.357 142 R HA 0.172 4.505 4.340 -0.012 0.000 0.330 142 R C -0.131 176.348 176.300 0.298 0.000 1.102 142 R CA -0.049 56.191 56.100 0.232 0.000 0.974 142 R CB 0.254 30.676 30.300 0.204 0.000 1.002 142 R HN 0.653 nan 8.270 nan 0.000 0.463 143 S N 5.057 120.954 115.700 0.328 0.000 2.575 143 S HA 0.062 4.525 4.470 -0.012 0.000 0.295 143 S C -2.007 172.775 174.600 0.302 0.000 1.267 143 S CA -1.006 57.417 58.200 0.372 0.000 1.074 143 S CB 0.312 63.749 63.200 0.395 0.000 0.829 143 S HN 0.292 nan 8.310 nan 0.000 0.497 144 P HA 0.365 nan 4.420 nan 0.000 0.267 144 P C 0.663 177.956 177.300 -0.011 0.000 1.201 144 P CA 0.592 63.702 63.100 0.018 0.000 0.775 144 P CB 0.331 32.014 31.700 -0.028 0.000 0.854 145 G N -0.554 108.159 108.800 -0.144 0.000 2.288 145 G HA2 0.222 4.175 3.960 -0.012 0.000 0.227 145 G HA3 0.222 4.175 3.960 -0.012 0.000 0.227 145 G C -1.692 172.968 174.900 -0.400 0.000 1.339 145 G CA -0.468 44.466 45.100 -0.277 0.000 1.057 145 G HN 0.462 nan 8.290 nan 0.000 0.470 146 V N 0.041 119.599 119.914 -0.592 0.000 2.876 146 V HA 0.854 4.967 4.120 -0.012 0.000 0.312 146 V C -1.203 174.439 176.094 -0.753 0.000 1.085 146 V CA -0.758 61.203 62.300 -0.563 0.000 0.945 146 V CB 1.594 33.132 31.823 -0.475 0.000 1.017 146 V HN 0.847 nan 8.190 nan 0.000 0.428 147 Y N 1.826 121.887 120.300 -0.399 0.000 2.562 147 Y HA 0.728 5.271 4.550 -0.012 0.000 0.345 147 Y C -0.995 174.648 175.900 -0.428 0.000 1.045 147 Y CA -1.045 56.917 58.100 -0.229 0.000 1.028 147 Y CB 2.080 40.491 38.460 -0.082 0.000 1.297 147 Y HN 0.505 nan 8.280 nan 0.000 0.463 148 F N 1.022 121.081 119.950 0.183 0.000 2.382 148 F HA 0.563 5.083 4.527 -0.012 0.000 0.361 148 F C -0.023 175.830 175.800 0.088 0.000 1.109 148 F CA -0.751 57.324 58.000 0.125 0.000 1.031 148 F CB 1.724 40.779 39.000 0.091 0.000 1.234 148 F HN 0.275 nan 8.300 nan 0.000 0.445 149 T N 4.165 118.854 114.554 0.224 0.000 2.859 149 T HA 0.383 4.726 4.350 -0.012 0.000 0.281 149 T C -2.666 172.166 174.700 0.220 0.000 1.005 149 T CA -1.866 60.336 62.100 0.170 0.000 1.025 149 T CB 1.639 70.582 68.868 0.125 0.000 0.977 149 T HN 0.109 nan 8.240 nan 0.000 0.458 150 P HA -0.024 nan 4.420 nan 0.000 0.260 150 P C -0.047 177.377 177.300 0.207 0.000 1.185 150 P CA -0.029 63.252 63.100 0.301 0.000 0.763 150 P CB 0.237 32.065 31.700 0.213 0.000 0.776 151 D N 5.710 126.228 120.400 0.197 0.000 2.586 151 D HA -0.076 4.557 4.640 -0.012 0.000 0.234 151 D C -1.172 175.177 176.300 0.082 0.000 1.132 151 D CA -0.937 53.132 54.000 0.116 0.000 0.860 151 D CB 0.528 41.370 40.800 0.069 0.000 1.159 151 D HN 0.180 nan 8.370 nan 0.000 0.490 152 P HA -0.222 nan 4.420 nan 0.000 0.205 152 P C 0.718 178.041 177.300 0.039 0.000 1.046 152 P CA 2.453 65.585 63.100 0.052 0.000 0.968 152 P CB 0.102 31.829 31.700 0.046 0.000 0.753 153 A N -1.620 121.218 122.820 0.030 0.000 2.081 153 A HA 0.040 4.353 4.320 -0.012 0.000 0.214 153 A C 1.142 178.734 177.584 0.014 0.000 1.158 153 A CA 0.393 52.443 52.037 0.021 0.000 0.724 153 A CB -0.407 18.604 19.000 0.017 0.000 0.826 153 A HN 0.101 nan 8.150 nan 0.000 0.463 154 R N 0.630 121.138 120.500 0.012 0.000 2.296 154 R HA 0.270 4.603 4.340 -0.012 0.000 0.327 154 R C -2.240 174.053 176.300 -0.010 0.000 1.137 154 R CA -1.612 54.486 56.100 -0.002 0.000 1.020 154 R CB 0.374 30.669 30.300 -0.009 0.000 1.110 154 R HN 0.109 nan 8.270 nan 0.000 0.499 155 P HA -0.082 nan 4.420 nan 0.000 0.261 155 P C 0.828 178.100 177.300 -0.047 0.000 1.297 155 P CA 0.527 63.619 63.100 -0.012 0.000 0.757 155 P CB 0.342 32.038 31.700 -0.006 0.000 1.149 156 G N -0.538 108.220 108.800 -0.070 0.000 2.629 156 G HA2 0.005 3.958 3.960 -0.012 0.000 0.213 156 G HA3 0.005 3.958 3.960 -0.012 0.000 0.213 156 G C 0.814 175.578 174.900 -0.227 0.000 1.425 156 G CA 0.346 45.377 45.100 -0.115 0.000 0.929 156 G HN 0.091 nan 8.290 nan 0.000 0.527 157 R N -1.473 118.860 120.500 -0.280 0.000 3.084 157 R HA 0.501 4.834 4.340 -0.012 0.000 0.234 157 R C -1.187 174.848 176.300 -0.442 0.000 1.433 157 R CA -0.674 55.075 56.100 -0.584 0.000 1.053 157 R CB 0.724 30.765 30.300 -0.431 0.000 1.449 157 R HN 0.434 nan 8.270 nan 0.000 0.505 158 Y N -0.153 120.187 120.300 0.067 0.000 2.534 158 Y HA 0.578 5.121 4.550 -0.012 0.000 0.329 158 Y C 0.960 176.946 175.900 0.143 0.000 1.154 158 Y CA -1.255 56.908 58.100 0.104 0.000 1.192 158 Y CB 0.397 38.932 38.460 0.125 0.000 1.275 158 Y HN 0.427 nan 8.280 nan 0.000 0.491 159 I N -0.104 120.652 120.570 0.310 0.000 3.204 159 I HA 1.007 5.170 4.170 -0.012 0.000 0.313 159 I C -0.419 175.842 176.117 0.239 0.000 1.082 159 I CA -1.253 60.186 61.300 0.232 0.000 1.033 159 I CB 1.742 39.829 38.000 0.146 0.000 1.304 159 I HN 0.710 nan 8.210 nan 0.000 0.536 160 A N 1.571 124.458 122.820 0.112 0.000 2.387 160 A HA 0.874 5.187 4.320 -0.012 0.000 0.303 160 A C -0.688 176.810 177.584 -0.143 0.000 1.145 160 A CA -0.331 51.634 52.037 -0.121 0.000 0.801 160 A CB 1.427 20.329 19.000 -0.164 0.000 1.342 160 A HN 0.989 nan 8.150 nan 0.000 0.440 161 S N -0.178 115.352 115.700 -0.282 0.000 2.603 161 S HA 0.603 5.066 4.470 -0.012 0.000 0.274 161 S C -1.104 173.293 174.600 -0.339 0.000 1.168 161 S CA -0.371 57.709 58.200 -0.200 0.000 0.963 161 S CB 0.453 63.629 63.200 -0.040 0.000 1.078 161 S HN 0.595 nan 8.310 nan 0.000 0.477 162 I N 3.823 124.152 120.570 -0.403 0.000 2.321 162 I HA 0.459 4.622 4.170 -0.012 0.000 0.291 162 I C -0.479 175.209 176.117 -0.715 0.000 0.998 162 I CA -0.736 60.288 61.300 -0.461 0.000 1.227 162 I CB 1.383 39.152 38.000 -0.384 0.000 1.368 162 I HN 0.730 nan 8.210 nan 0.000 0.466 163 I N 9.288 129.445 120.570 -0.690 0.000 2.390 163 I HA 0.517 4.679 4.170 -0.012 0.000 0.283 163 I C -2.754 173.083 176.117 -0.467 0.000 1.016 163 I CA -1.923 58.793 61.300 -0.974 0.000 1.151 163 I CB 1.820 39.217 38.000 -1.005 0.000 1.293 163 I HN 0.301 nan 8.210 nan 0.000 0.458 164 P HA 0.620 nan 4.420 nan 0.000 0.287 164 P C -1.751 175.529 177.300 -0.033 0.000 1.292 164 P CA -0.809 62.222 63.100 -0.114 0.000 0.879 164 P CB 1.943 33.617 31.700 -0.043 0.000 1.214 165 L N 0.815 122.012 121.223 -0.044 0.000 2.614 165 L HA 0.518 4.851 4.340 -0.012 0.000 0.264 165 L C -2.850 173.979 176.870 -0.068 0.000 0.940 165 L CA -1.863 52.947 54.840 -0.049 0.000 0.903 165 L CB 1.405 43.387 42.059 -0.129 0.000 1.306 165 L HN 0.214 nan 8.230 nan 0.000 0.410 166 P HA 0.007 nan 4.420 nan 0.000 0.271 166 P C 0.152 177.478 177.300 0.043 0.000 1.212 166 P CA -0.053 63.054 63.100 0.012 0.000 0.788 166 P CB 0.528 32.245 31.700 0.028 0.000 0.865 167 K N 1.473 121.906 120.400 0.054 0.000 2.283 167 K HA -0.124 4.189 4.320 -0.012 0.000 0.202 167 K C 1.512 178.166 176.600 0.090 0.000 1.048 167 K CA 1.217 57.557 56.287 0.089 0.000 0.948 167 K CB -0.084 32.450 32.500 0.055 0.000 0.742 167 K HN 0.163 nan 8.250 nan 0.000 0.458 168 R N 0.040 120.575 120.500 0.059 0.000 2.285 168 R HA -0.002 4.331 4.340 -0.012 0.000 0.213 168 R C 0.831 177.173 176.300 0.070 0.000 1.068 168 R CA 0.657 56.788 56.100 0.050 0.000 1.004 168 R CB -0.615 29.696 30.300 0.019 0.000 0.873 168 R HN 0.152 nan 8.270 nan 0.000 0.467 169 G N 2.071 110.920 108.800 0.081 0.000 2.394 169 G HA2 0.268 4.221 3.960 -0.012 0.000 0.298 169 G HA3 0.268 4.221 3.960 -0.012 0.000 0.298 169 G C -2.407 172.576 174.900 0.139 0.000 1.087 169 G CA -1.230 43.925 45.100 0.091 0.000 1.035 169 G HN -0.028 nan 8.290 nan 0.000 0.420 170 P HA -0.130 nan 4.420 nan 0.000 0.255 170 P C -0.019 177.388 177.300 0.179 0.000 1.151 170 P CA 0.287 63.514 63.100 0.212 0.000 0.767 170 P CB 0.358 32.218 31.700 0.267 0.000 0.736 171 W N 6.941 128.264 121.300 0.038 0.000 2.365 171 W HA 0.232 4.885 4.660 -0.012 0.000 0.371 171 W C -0.918 175.604 176.519 0.004 0.000 1.006 171 W CA -0.368 56.984 57.345 0.012 0.000 1.528 171 W CB -0.321 29.144 29.460 0.009 0.000 1.497 171 W HN 0.234 nan 8.180 nan 0.000 0.367 172 I N 4.268 124.846 120.570 0.013 0.000 2.612 172 I HA 0.241 4.404 4.170 -0.012 0.000 0.295 172 I C -0.140 175.964 176.117 -0.022 0.000 1.011 172 I CA 0.064 61.369 61.300 0.008 0.000 1.326 172 I CB 0.932 38.875 38.000 -0.096 0.000 1.427 172 I HN 0.135 nan 8.210 nan 0.000 0.537 173 D N 3.508 123.915 120.400 0.012 0.000 2.645 173 D HA 0.727 5.360 4.640 -0.012 0.000 0.228 173 D C -1.055 175.234 176.300 -0.019 0.000 1.148 173 D CA -0.447 53.558 54.000 0.008 0.000 0.860 173 D CB 1.869 42.718 40.800 0.081 0.000 1.548 173 D HN 0.259 nan 8.370 nan 0.000 0.460 174 L N 0.608 121.825 121.223 -0.009 0.000 2.354 174 L HA 0.754 5.087 4.340 -0.012 0.000 0.264 174 L C -0.603 176.303 176.870 0.060 0.000 1.008 174 L CA -0.744 54.102 54.840 0.009 0.000 0.819 174 L CB 2.292 44.361 42.059 0.017 0.000 1.339 174 L HN 0.412 nan 8.230 nan 0.000 0.420 175 E N 0.811 121.048 120.200 0.062 0.000 2.431 175 E HA 0.436 4.779 4.350 -0.012 0.000 0.287 175 E C -1.900 174.741 176.600 0.067 0.000 1.032 175 E CA -0.615 55.831 56.400 0.077 0.000 0.839 175 E CB 2.564 32.299 29.700 0.057 0.000 1.218 175 E HN 0.385 nan 8.360 nan 0.000 0.424 176 V N 0.364 120.320 119.914 0.070 0.000 2.769 176 V HA 0.787 4.900 4.120 -0.012 0.000 0.312 176 V C -0.407 175.697 176.094 0.016 0.000 1.058 176 V CA -0.512 61.819 62.300 0.052 0.000 0.952 176 V CB 1.750 33.607 31.823 0.056 0.000 1.019 176 V HN 0.827 nan 8.190 nan 0.000 0.445 177 E N 3.010 123.216 120.200 0.010 0.000 3.011 177 E HA 0.376 4.719 4.350 -0.012 0.000 0.315 177 E C -2.275 174.324 176.600 -0.003 0.000 1.176 177 E CA -1.404 54.995 56.400 -0.000 0.000 0.819 177 E CB 1.843 31.547 29.700 0.007 0.000 1.508 177 E HN 0.613 nan 8.360 nan 0.000 0.381 178 P HA -0.312 nan 4.420 nan 0.000 0.229 178 P C 0.590 177.885 177.300 -0.008 0.000 1.147 178 P CA 1.125 64.212 63.100 -0.021 0.000 0.949 178 P CB 0.083 31.760 31.700 -0.039 0.000 0.786 179 N N -0.918 117.778 118.700 -0.005 0.000 2.938 179 N HA -0.006 4.726 4.740 -0.012 0.000 0.286 179 N C 1.068 176.584 175.510 0.011 0.000 1.316 179 N CA 1.307 54.358 53.050 0.001 0.000 1.063 179 N CB -0.954 37.533 38.487 -0.000 0.000 1.388 179 N HN 0.272 nan 8.380 nan 0.000 0.545 180 G N -1.263 107.546 108.800 0.016 0.000 2.231 180 G HA2 -0.218 3.735 3.960 -0.012 0.000 0.206 180 G HA3 -0.218 3.735 3.960 -0.012 0.000 0.206 180 G C -0.303 174.617 174.900 0.033 0.000 0.996 180 G CA 0.025 45.142 45.100 0.028 0.000 0.645 180 G HN 0.264 nan 8.290 nan 0.000 0.498 181 V N 0.756 120.685 119.914 0.026 0.000 2.760 181 V HA 0.770 4.883 4.120 -0.012 0.000 0.309 181 V C 0.094 176.201 176.094 0.021 0.000 1.077 181 V CA -0.730 61.585 62.300 0.026 0.000 0.910 181 V CB 2.072 33.910 31.823 0.026 0.000 1.008 181 V HN 0.380 nan 8.190 nan 0.000 0.424 182 V N 2.439 122.363 119.914 0.016 0.000 3.103 182 V HA 0.899 5.012 4.120 -0.012 0.000 0.318 182 V C -0.024 176.059 176.094 -0.019 0.000 1.114 182 V CA -0.518 61.790 62.300 0.013 0.000 1.020 182 V CB 2.391 34.229 31.823 0.025 0.000 1.085 182 V HN 1.050 nan 8.190 nan 0.000 0.446 183 S N 1.187 116.870 115.700 -0.028 0.000 2.588 183 S HA 0.882 5.345 4.470 -0.012 0.000 0.275 183 S C -0.904 173.626 174.600 -0.116 0.000 1.130 183 S CA -0.717 57.443 58.200 -0.068 0.000 0.855 183 S CB 2.093 65.284 63.200 -0.014 0.000 1.116 183 S HN 0.899 nan 8.310 nan 0.000 0.472 184 M N 1.831 121.314 119.600 -0.195 0.000 2.387 184 M HA 0.366 4.839 4.480 -0.012 0.000 0.215 184 M C -2.391 173.828 176.300 -0.136 0.000 0.973 184 M CA -0.297 54.878 55.300 -0.207 0.000 0.924 184 M CB 1.106 33.497 32.600 -0.349 0.000 2.471 184 M HN 0.733 nan 8.290 nan 0.000 0.445 185 K N 3.709 124.116 120.400 0.012 0.000 2.290 185 K HA 0.364 4.677 4.320 -0.012 0.000 0.250 185 K C 0.503 177.187 176.600 0.140 0.000 1.092 185 K CA -0.377 55.975 56.287 0.110 0.000 1.006 185 K CB 0.955 33.514 32.500 0.097 0.000 1.549 185 K HN 0.485 nan 8.250 nan 0.000 0.436 186 V N 1.459 121.491 119.914 0.196 0.000 2.238 186 V HA -0.245 3.868 4.120 -0.012 0.000 0.235 186 V C 1.826 178.015 176.094 0.159 0.000 1.037 186 V CA 1.630 64.033 62.300 0.172 0.000 0.991 186 V CB -0.348 31.581 31.823 0.177 0.000 0.638 186 V HN 0.700 nan 8.190 nan 0.000 0.457 187 N N -1.370 117.410 118.700 0.133 0.000 2.092 187 N HA -0.068 4.665 4.740 -0.012 0.000 0.189 187 N C 1.385 176.949 175.510 0.090 0.000 1.040 187 N CA 1.524 54.633 53.050 0.098 0.000 0.845 187 N CB 0.161 38.680 38.487 0.053 0.000 1.017 187 N HN 0.298 nan 8.380 nan 0.000 0.426 188 K N -0.874 119.583 120.400 0.096 0.000 1.839 188 K HA 0.182 4.495 4.320 -0.012 0.000 0.311 188 K C -0.870 175.799 176.600 0.114 0.000 1.042 188 K CA -0.479 55.859 56.287 0.085 0.000 0.518 188 K CB -0.348 32.182 32.500 0.049 0.000 3.438 188 K HN -0.053 nan 8.250 nan 0.000 1.216 189 R N 2.813 123.365 120.500 0.087 0.000 2.457 189 R HA -0.119 4.214 4.340 -0.012 0.000 0.274 189 R C -0.256 176.175 176.300 0.218 0.000 0.935 189 R CA 1.050 57.212 56.100 0.104 0.000 1.115 189 R CB 0.154 30.488 30.300 0.057 0.000 0.860 189 R HN 0.223 nan 8.270 nan 0.000 0.426 190 K N 3.000 123.513 120.400 0.189 0.000 2.149 190 K HA 0.362 4.675 4.320 -0.012 0.000 0.245 190 K C -0.521 176.315 176.600 0.393 0.000 1.024 190 K CA 0.136 56.552 56.287 0.215 0.000 0.899 190 K CB 0.393 32.938 32.500 0.075 0.000 1.038 190 K HN 0.525 nan 8.250 nan 0.000 0.496 191 F N -3.376 116.557 119.950 -0.029 0.000 2.829 191 F HA 0.284 4.804 4.527 -0.012 0.000 0.319 191 F C -3.195 172.571 175.800 -0.056 0.000 1.153 191 F CA -2.883 55.080 58.000 -0.063 0.000 0.912 191 F CB -0.214 38.729 39.000 -0.094 0.000 1.292 191 F HN 0.272 nan 8.300 nan 0.000 0.447 192 P HA 0.001 nan 4.420 nan 0.000 0.260 192 P C 0.949 178.132 177.300 -0.196 0.000 1.172 192 P CA -0.109 62.933 63.100 -0.096 0.000 0.760 192 P CB 0.532 32.197 31.700 -0.058 0.000 0.773 193 L N 5.234 126.353 121.223 -0.175 0.000 2.093 193 L HA -0.113 4.220 4.340 -0.012 0.000 0.208 193 L C 1.615 178.428 176.870 -0.094 0.000 1.085 193 L CA 2.036 56.778 54.840 -0.163 0.000 0.755 193 L CB -0.674 41.326 42.059 -0.098 0.000 0.904 193 L HN 0.136 nan 8.230 nan 0.000 0.435 194 V N -0.267 119.615 119.914 -0.053 0.000 2.871 194 V HA -0.199 3.914 4.120 -0.012 0.000 0.256 194 V C 2.522 178.614 176.094 -0.004 0.000 1.082 194 V CA 0.816 63.105 62.300 -0.018 0.000 1.105 194 V CB -0.675 31.159 31.823 0.018 0.000 0.713 194 V HN 0.386 nan 8.190 nan 0.000 0.473 195 L N 0.489 121.704 121.223 -0.014 0.000 2.043 195 L HA -0.177 4.155 4.340 -0.012 0.000 0.212 195 L C 2.070 178.949 176.870 0.014 0.000 1.075 195 L CA 2.184 57.023 54.840 -0.002 0.000 0.752 195 L CB -0.525 41.561 42.059 0.045 0.000 0.891 195 L HN 0.367 nan 8.230 nan 0.000 0.432 196 L N -2.196 119.025 121.223 -0.002 0.000 2.463 196 L HA 0.079 4.412 4.340 -0.012 0.000 0.219 196 L C 2.124 178.903 176.870 -0.151 0.000 1.088 196 L CA 0.349 55.133 54.840 -0.092 0.000 0.849 196 L CB 0.010 41.986 42.059 -0.137 0.000 1.012 196 L HN 0.277 nan 8.230 nan 0.000 0.468 197 L N -0.150 121.022 121.223 -0.085 0.000 2.376 197 L HA -0.063 4.270 4.340 -0.012 0.000 0.219 197 L C 2.381 179.288 176.870 0.061 0.000 1.133 197 L CA 0.501 55.324 54.840 -0.027 0.000 0.816 197 L CB -0.238 41.801 42.059 -0.034 0.000 0.933 197 L HN 0.281 nan 8.230 nan 0.000 0.449 198 R N -0.573 119.950 120.500 0.039 0.000 2.246 198 R HA 0.034 4.367 4.340 -0.012 0.000 0.199 198 R C 1.602 177.924 176.300 0.037 0.000 0.984 198 R CA 0.510 56.649 56.100 0.066 0.000 1.015 198 R CB -0.153 30.190 30.300 0.072 0.000 0.930 198 R HN 0.199 nan 8.270 nan 0.000 0.475 199 V N 1.147 121.056 119.914 -0.008 0.000 3.383 199 V HA -0.082 4.031 4.120 -0.012 0.000 0.272 199 V C 0.849 176.935 176.094 -0.014 0.000 1.181 199 V CA 1.005 63.282 62.300 -0.038 0.000 1.171 199 V CB -0.471 31.284 31.823 -0.114 0.000 0.800 199 V HN 0.076 nan 8.190 nan 0.000 0.515 200 L N 0.016 121.254 121.223 0.024 0.000 3.025 200 L HA 0.541 4.874 4.340 -0.012 0.000 0.307 200 L C 1.421 178.285 176.870 -0.010 0.000 1.303 200 L CA 0.529 55.393 54.840 0.040 0.000 0.817 200 L CB 0.663 42.769 42.059 0.078 0.000 1.227 200 L HN 0.206 nan 8.230 nan 0.000 0.571 201 G N -0.882 107.918 108.800 0.000 0.000 2.413 201 G HA2 -0.429 3.524 3.960 -0.012 0.000 0.259 201 G HA3 -0.429 3.524 3.960 -0.012 0.000 0.259 201 G C 0.304 175.199 174.900 -0.008 0.000 1.003 201 G CA 0.320 45.403 45.100 -0.029 0.000 0.629 201 G HN 0.320 nan 8.290 nan 0.000 0.548 202 Y N 3.567 123.876 120.300 0.015 0.000 2.828 202 Y HA 0.320 4.863 4.550 -0.012 0.000 0.359 202 Y C 1.174 177.082 175.900 0.014 0.000 1.258 202 Y CA -0.140 57.968 58.100 0.014 0.000 1.652 202 Y CB -0.370 38.095 38.460 0.008 0.000 1.232 202 Y HN 0.541 nan 8.280 nan 0.000 0.513 203 D N 0.546 121.069 120.400 0.205 0.000 2.348 203 D HA 0.113 4.746 4.640 -0.012 0.000 0.249 203 D C 0.502 176.870 176.300 0.112 0.000 1.110 203 D CA -0.632 53.443 54.000 0.126 0.000 0.967 203 D CB 0.684 41.534 40.800 0.083 0.000 1.139 203 D HN 0.477 nan 8.370 nan 0.000 0.466 204 Q N -0.475 119.372 119.800 0.077 0.000 2.515 204 Q HA -0.124 4.209 4.340 -0.012 0.000 0.212 204 Q C 1.120 177.150 176.000 0.050 0.000 0.970 204 Q CA 0.795 56.633 55.803 0.058 0.000 0.941 204 Q CB -0.014 28.755 28.738 0.052 0.000 0.998 204 Q HN 0.755 nan 8.270 nan 0.000 0.518 205 E N -1.061 119.173 120.200 0.056 0.000 2.201 205 E HA -0.051 4.292 4.350 -0.012 0.000 0.193 205 E C 1.794 178.427 176.600 0.055 0.000 0.957 205 E CA 1.023 57.452 56.400 0.047 0.000 0.858 205 E CB -0.218 29.507 29.700 0.042 0.000 0.816 205 E HN -0.055 nan 8.360 nan 0.000 0.475 206 T N -0.098 114.504 114.554 0.081 0.000 3.014 206 T HA 0.146 4.489 4.350 -0.012 0.000 0.263 206 T C 1.684 176.442 174.700 0.096 0.000 1.078 206 T CA 0.332 62.493 62.100 0.102 0.000 1.135 206 T CB -0.120 68.834 68.868 0.143 0.000 0.895 206 T HN 0.154 nan 8.240 nan 0.000 0.480 207 L N 0.504 121.774 121.223 0.078 0.000 2.109 207 L HA 0.158 4.491 4.340 -0.012 0.000 0.207 207 L C 2.817 179.667 176.870 -0.033 0.000 1.086 207 L CA 1.138 55.966 54.840 -0.020 0.000 0.760 207 L CB -0.375 41.656 42.059 -0.047 0.000 0.910 207 L HN 0.296 nan 8.230 nan 0.000 0.437 208 A N -0.365 122.456 122.820 0.001 0.000 2.119 208 A HA -0.089 4.224 4.320 -0.012 0.000 0.216 208 A C 2.051 179.631 177.584 -0.008 0.000 1.152 208 A CA 1.034 53.071 52.037 -0.000 0.000 0.708 208 A CB -0.164 18.844 19.000 0.015 0.000 0.805 208 A HN 0.351 nan 8.150 nan 0.000 0.460 209 R N -1.180 119.322 120.500 0.005 0.000 2.412 209 R HA 0.218 4.551 4.340 -0.012 0.000 0.212 209 R C 0.967 177.282 176.300 0.025 0.000 0.878 209 R CA 0.448 56.554 56.100 0.010 0.000 1.022 209 R CB 0.148 30.463 30.300 0.024 0.000 1.265 209 R HN 0.400 nan 8.270 nan 0.000 0.620 210 E N 0.453 120.674 120.200 0.036 0.000 2.370 210 E HA 0.102 4.445 4.350 -0.012 0.000 0.194 210 E C 0.169 176.800 176.600 0.052 0.000 1.057 210 E CA 0.151 56.588 56.400 0.062 0.000 1.011 210 E CB 0.509 30.258 29.700 0.082 0.000 1.132 210 E HN 0.062 nan 8.360 nan 0.000 0.450 211 L N -2.625 118.597 121.223 -0.001 0.000 2.718 211 L HA 0.332 4.665 4.340 -0.012 0.000 0.247 211 L C 0.954 177.714 176.870 -0.183 0.000 1.028 211 L CA 0.665 55.481 54.840 -0.041 0.000 1.031 211 L CB 1.109 43.093 42.059 -0.125 0.000 1.910 211 L HN -0.002 nan 8.230 nan 0.000 0.526 212 G N -0.700 107.932 108.800 -0.279 0.000 5.084 212 G HA2 0.446 4.399 3.960 -0.012 0.000 0.241 212 G HA3 0.446 4.399 3.960 -0.012 0.000 0.241 212 G C 0.673 175.329 174.900 -0.407 0.000 0.918 212 G CA 0.363 45.119 45.100 -0.573 0.000 0.754 212 G HN 0.365 nan 8.290 nan 0.000 0.478 213 A N 0.354 123.027 122.820 -0.244 0.000 2.168 213 A HA 0.121 4.434 4.320 -0.012 0.000 0.215 213 A C 1.681 179.237 177.584 -0.047 0.000 1.152 213 A CA 1.288 53.274 52.037 -0.084 0.000 0.716 213 A CB -0.507 18.496 19.000 0.005 0.000 0.794 213 A HN 0.897 nan 8.150 nan 0.000 0.465 214 Y N -2.325 117.994 120.300 0.031 0.000 2.468 214 Y HA 0.537 5.080 4.550 -0.012 0.000 0.268 214 Y C 0.585 176.492 175.900 0.013 0.000 1.177 214 Y CA -1.087 57.022 58.100 0.016 0.000 1.265 214 Y CB -0.571 37.897 38.460 0.012 0.000 1.103 214 Y HN 0.075 nan 8.280 nan 0.000 0.522 215 G N 1.566 110.207 108.800 -0.264 0.000 2.683 215 G HA2 0.281 4.234 3.960 -0.012 0.000 0.299 215 G HA3 0.281 4.234 3.960 -0.012 0.000 0.299 215 G C 0.046 174.849 174.900 -0.161 0.000 1.432 215 G CA -0.689 44.300 45.100 -0.185 0.000 0.978 215 G HN 0.301 nan 8.290 nan 0.000 0.513 216 E N 3.202 123.314 120.200 -0.145 0.000 2.526 216 E HA -0.028 4.315 4.350 -0.012 0.000 0.198 216 E C 0.908 177.387 176.600 -0.200 0.000 1.091 216 E CA 0.031 56.350 56.400 -0.135 0.000 0.880 216 E CB 0.090 29.728 29.700 -0.103 0.000 0.873 216 E HN 0.558 nan 8.360 nan 0.000 0.527 217 L N 0.474 121.479 121.223 -0.363 0.000 2.529 217 L HA 0.042 4.375 4.340 -0.012 0.000 0.223 217 L C 2.085 178.826 176.870 -0.215 0.000 1.113 217 L CA -0.065 54.437 54.840 -0.563 0.000 0.861 217 L CB 0.062 41.214 42.059 -1.511 0.000 1.012 217 L HN -0.034 nan 8.230 nan 0.000 0.461 218 V N 0.139 120.057 119.914 0.007 0.000 2.688 218 V HA -0.290 3.823 4.120 -0.012 0.000 0.256 218 V C 2.240 178.382 176.094 0.081 0.000 1.084 218 V CA 1.561 63.957 62.300 0.161 0.000 1.103 218 V CB -0.629 31.232 31.823 0.064 0.000 0.688 218 V HN 0.579 nan 8.190 nan 0.000 0.480 219 Q N 0.093 119.903 119.800 0.016 0.000 2.369 219 Q HA -0.017 4.316 4.340 -0.012 0.000 0.206 219 Q C 2.233 178.249 176.000 0.026 0.000 0.963 219 Q CA 1.122 56.931 55.803 0.011 0.000 0.894 219 Q CB -0.259 28.470 28.738 -0.016 0.000 0.965 219 Q HN 0.695 nan 8.270 nan 0.000 0.475 220 G N 0.306 109.129 108.800 0.038 0.000 2.880 220 G HA2 -0.029 3.924 3.960 -0.012 0.000 0.209 220 G HA3 -0.029 3.924 3.960 -0.012 0.000 0.209 220 G C 1.184 176.142 174.900 0.097 0.000 1.157 220 G CA 0.005 45.139 45.100 0.056 0.000 0.779 220 G HN 0.249 nan 8.290 nan 0.000 0.539 221 L N -0.659 120.635 121.223 0.117 0.000 2.262 221 L HA 0.372 4.705 4.340 -0.012 0.000 0.197 221 L C 2.686 179.595 176.870 0.064 0.000 1.073 221 L CA 0.844 55.739 54.840 0.092 0.000 0.800 221 L CB -0.165 41.949 42.059 0.092 0.000 0.987 221 L HN 0.111 nan 8.230 nan 0.000 0.470 222 M N -0.088 119.547 119.600 0.059 0.000 2.267 222 M HA -0.187 4.286 4.480 -0.012 0.000 0.263 222 M C 1.308 177.645 176.300 0.061 0.000 1.063 222 M CA 1.132 56.464 55.300 0.053 0.000 1.090 222 M CB -0.926 31.698 32.600 0.040 0.000 1.392 222 M HN 0.311 nan 8.290 nan 0.000 0.422 223 D N 1.110 121.546 120.400 0.060 0.000 1.942 223 D HA -0.202 4.431 4.640 -0.012 0.000 0.574 223 D C 0.584 176.937 176.300 0.089 0.000 0.905 223 D CA 1.421 55.461 54.000 0.066 0.000 1.606 223 D CB -0.513 40.328 40.800 0.068 0.000 1.100 223 D HN 0.234 nan 8.370 nan 0.000 0.390 224 E N 0.553 120.834 120.200 0.136 0.000 2.175 224 E HA 0.012 4.355 4.350 -0.012 0.000 0.247 224 E C 0.992 177.697 176.600 0.176 0.000 1.259 224 E CA 0.119 56.648 56.400 0.215 0.000 0.969 224 E CB -0.145 29.810 29.700 0.426 0.000 1.051 224 E HN 0.328 nan 8.360 nan 0.000 0.448 225 S N 1.008 116.758 115.700 0.082 0.000 2.527 225 S HA -0.077 4.386 4.470 -0.012 0.000 0.222 225 S C 1.745 176.344 174.600 -0.001 0.000 0.985 225 S CA 0.346 58.573 58.200 0.045 0.000 0.921 225 S CB 0.194 63.406 63.200 0.021 0.000 0.772 225 S HN 0.315 nan 8.310 nan 0.000 0.529 226 V N 1.296 121.159 119.914 -0.086 0.000 2.270 226 V HA -0.051 4.062 4.120 -0.012 0.000 0.245 226 V C 1.887 177.820 176.094 -0.268 0.000 1.043 226 V CA 1.720 63.862 62.300 -0.263 0.000 1.014 226 V CB -0.756 30.758 31.823 -0.515 0.000 0.645 226 V HN 0.517 nan 8.190 nan 0.000 0.447 227 F N 1.373 121.336 119.950 0.021 0.000 2.293 227 F HA 0.178 4.697 4.527 -0.012 0.000 0.300 227 F C 2.239 178.053 175.800 0.022 0.000 1.086 227 F CA 0.948 58.961 58.000 0.022 0.000 1.375 227 F CB -0.997 38.020 39.000 0.029 0.000 1.045 227 F HN 0.222 nan 8.300 nan 0.000 0.516 228 A N 0.076 123.009 122.820 0.188 0.000 2.176 228 A HA 0.082 4.395 4.320 -0.012 0.000 0.214 228 A C 1.059 178.686 177.584 0.071 0.000 1.327 228 A CA 0.645 52.755 52.037 0.120 0.000 1.015 228 A CB -1.141 17.921 19.000 0.102 0.000 0.818 228 A HN 0.448 nan 8.150 nan 0.000 0.500 229 M N 0.898 120.532 119.600 0.056 0.000 3.404 229 M HA 0.215 4.688 4.480 -0.012 0.000 0.398 229 M C -0.568 175.749 176.300 0.029 0.000 1.599 229 M CA -0.037 55.281 55.300 0.029 0.000 0.696 229 M CB 0.560 33.161 32.600 0.001 0.000 1.427 229 M HN 0.474 nan 8.290 nan 0.000 0.502 230 R N -1.644 118.883 120.500 0.045 0.000 3.321 230 R HA 0.328 4.661 4.340 -0.012 0.000 0.285 230 R C -3.383 172.944 176.300 0.045 0.000 1.149 230 R CA -1.018 55.105 56.100 0.039 0.000 1.191 230 R CB 0.079 30.402 30.300 0.039 0.000 1.276 230 R HN -0.094 nan 8.270 nan 0.000 0.429 231 P HA -0.219 nan 4.420 nan 0.000 0.207 231 P C 0.630 177.946 177.300 0.026 0.000 0.938 231 P CA 0.865 63.981 63.100 0.028 0.000 0.948 231 P CB 0.165 31.876 31.700 0.019 0.000 0.643 232 E N -0.549 119.663 120.200 0.020 0.000 2.482 232 E HA -0.163 4.180 4.350 -0.012 0.000 0.200 232 E C 1.461 178.069 176.600 0.013 0.000 1.147 232 E CA 0.077 56.485 56.400 0.015 0.000 0.912 232 E CB -0.180 29.528 29.700 0.013 0.000 0.938 232 E HN 0.125 nan 8.360 nan 0.000 0.519 233 E N -0.211 120.004 120.200 0.024 0.000 2.251 233 E HA 0.027 4.370 4.350 -0.012 0.000 0.194 233 E C 1.543 178.170 176.600 0.045 0.000 0.964 233 E CA 0.747 57.166 56.400 0.032 0.000 0.868 233 E CB 0.107 29.832 29.700 0.043 0.000 0.828 233 E HN 0.296 nan 8.360 nan 0.000 0.481 234 A N 1.181 124.029 122.820 0.048 0.000 2.216 234 A HA -0.013 4.300 4.320 -0.012 0.000 0.214 234 A C 2.161 179.752 177.584 0.011 0.000 1.160 234 A CA 0.440 52.503 52.037 0.042 0.000 0.725 234 A CB -0.505 18.520 19.000 0.041 0.000 0.784 234 A HN 0.326 nan 8.150 nan 0.000 0.472 235 L N -1.178 120.051 121.223 0.009 0.000 2.341 235 L HA 0.119 4.452 4.340 -0.012 0.000 0.214 235 L C 1.804 178.726 176.870 0.088 0.000 1.115 235 L CA 0.786 55.631 54.840 0.008 0.000 0.820 235 L CB -0.002 42.047 42.059 -0.017 0.000 0.944 235 L HN 0.428 nan 8.230 nan 0.000 0.452 236 I N -2.000 118.603 120.570 0.055 0.000 3.445 236 I HA -0.032 4.130 4.170 -0.012 0.000 0.288 236 I C 2.332 178.493 176.117 0.074 0.000 1.198 236 I CA -0.098 61.227 61.300 0.041 0.000 1.417 236 I CB 0.032 38.007 38.000 -0.043 0.000 1.205 236 I HN 0.057 nan 8.210 nan 0.000 0.448 237 R N 1.889 122.423 120.500 0.056 0.000 2.080 237 R HA -0.143 4.190 4.340 -0.012 0.000 0.236 237 R C 2.202 178.506 176.300 0.006 0.000 1.137 237 R CA 1.842 57.974 56.100 0.054 0.000 0.943 237 R CB -0.705 29.648 30.300 0.089 0.000 0.846 237 R HN 0.325 nan 8.270 nan 0.000 0.431 238 L N -0.747 120.461 121.223 -0.024 0.000 2.109 238 L HA -0.012 4.321 4.340 -0.012 0.000 0.207 238 L C 1.898 178.710 176.870 -0.098 0.000 1.086 238 L CA 0.966 55.730 54.840 -0.126 0.000 0.760 238 L CB -0.340 41.630 42.059 -0.147 0.000 0.910 238 L HN 0.213 nan 8.230 nan 0.000 0.437 239 F N 0.687 120.554 119.950 -0.139 0.000 2.202 239 F HA -0.248 4.272 4.527 -0.012 0.000 0.301 239 F C 2.226 177.966 175.800 -0.100 0.000 1.082 239 F CA 2.106 60.039 58.000 -0.111 0.000 1.313 239 F CB -0.517 38.439 39.000 -0.073 0.000 1.024 239 F HN 0.067 nan 8.300 nan 0.000 0.495 240 T N 0.372 115.035 114.554 0.182 0.000 2.857 240 T HA -0.063 4.280 4.350 -0.012 0.000 0.266 240 T C 1.729 176.430 174.700 0.001 0.000 1.048 240 T CA 0.747 62.906 62.100 0.099 0.000 1.139 240 T CB -0.430 68.471 68.868 0.055 0.000 0.874 240 T HN 0.133 nan 8.240 nan 0.000 0.455 241 L N 1.555 122.729 121.223 -0.083 0.000 3.062 241 L HA 0.134 4.467 4.340 -0.012 0.000 0.264 241 L C -0.386 176.361 176.870 -0.204 0.000 1.242 241 L CA -0.139 54.607 54.840 -0.156 0.000 1.072 241 L CB -0.605 41.305 42.059 -0.247 0.000 1.420 241 L HN 0.143 nan 8.230 nan 0.000 0.412 242 L N -0.407 120.736 121.223 -0.133 0.000 2.171 242 L HA 0.592 4.925 4.340 -0.012 0.000 0.253 242 L C -0.116 176.720 176.870 -0.057 0.000 1.054 242 L CA -0.610 54.149 54.840 -0.136 0.000 0.927 242 L CB 1.489 43.436 42.059 -0.187 0.000 1.513 242 L HN 0.134 nan 8.230 nan 0.000 0.471 243 R N -0.510 119.965 120.500 -0.040 0.000 2.912 243 R HA 0.595 4.928 4.340 -0.012 0.000 0.278 243 R C -2.787 173.516 176.300 0.005 0.000 1.533 243 R CA -0.786 55.309 56.100 -0.008 0.000 1.061 243 R CB 0.437 30.730 30.300 -0.012 0.000 1.313 243 R HN 0.513 nan 8.270 nan 0.000 0.443 244 P HA 0.456 nan 4.420 nan 0.000 0.425 244 P C 0.561 177.882 177.300 0.036 0.000 0.789 244 P CA 1.199 64.318 63.100 0.031 0.000 1.985 244 P CB 0.899 32.626 31.700 0.045 0.000 1.007 245 G N -1.088 107.743 108.800 0.051 0.000 3.942 245 G HA2 -0.039 3.914 3.960 -0.012 0.000 0.219 245 G HA3 -0.039 3.914 3.960 -0.012 0.000 0.219 245 G C -0.349 174.583 174.900 0.053 0.000 0.869 245 G CA -0.214 44.911 45.100 0.043 0.000 0.851 245 G HN 0.253 nan 8.290 nan 0.000 0.560 246 D N 1.747 122.198 120.400 0.086 0.000 2.622 246 D HA 0.048 4.681 4.640 -0.012 0.000 0.222 246 D C -2.142 174.179 176.300 0.034 0.000 1.226 246 D CA 0.508 54.571 54.000 0.104 0.000 0.874 246 D CB 0.531 41.483 40.800 0.253 0.000 1.236 246 D HN 0.118 nan 8.370 nan 0.000 0.531 247 P HA 0.203 nan 4.420 nan 0.000 0.281 247 P C -2.096 175.047 177.300 -0.262 0.000 1.252 247 P CA -1.066 61.972 63.100 -0.103 0.000 0.778 247 P CB 0.591 32.243 31.700 -0.080 0.000 0.895 248 P HA -0.040 nan 4.420 nan 0.000 0.242 248 P C 0.426 177.537 177.300 -0.316 0.000 1.197 248 P CA 0.895 63.811 63.100 -0.306 0.000 0.765 248 P CB 0.085 31.697 31.700 -0.147 0.000 0.936 249 K N -1.276 118.975 120.400 -0.248 0.000 2.455 249 K HA 0.187 4.500 4.320 -0.012 0.000 0.206 249 K C 0.597 177.095 176.600 -0.170 0.000 1.027 249 K CA -0.476 55.704 56.287 -0.178 0.000 1.113 249 K CB 0.329 32.769 32.500 -0.101 0.000 0.850 249 K HN -0.141 nan 8.250 nan 0.000 0.503 250 R N 2.556 122.900 120.500 -0.259 0.000 2.609 250 R HA -0.015 4.318 4.340 -0.012 0.000 0.271 250 R C -0.010 176.236 176.300 -0.090 0.000 1.403 250 R CA -0.045 55.971 56.100 -0.141 0.000 1.138 250 R CB -0.102 30.127 30.300 -0.118 0.000 1.142 250 R HN 0.256 nan 8.270 nan 0.000 0.559 251 D N 2.773 123.150 120.400 -0.038 0.000 2.163 251 D HA -0.249 4.384 4.640 -0.012 0.000 0.349 251 D C 0.077 176.386 176.300 0.014 0.000 1.476 251 D CA 1.551 55.546 54.000 -0.009 0.000 1.265 251 D CB 0.290 41.100 40.800 0.017 0.000 2.179 251 D HN 0.458 nan 8.370 nan 0.000 0.685 252 K N 1.224 121.629 120.400 0.008 0.000 3.225 252 K HA 0.253 4.566 4.320 -0.012 0.000 0.282 252 K C 0.952 177.562 176.600 0.017 0.000 1.060 252 K CA -0.372 55.853 56.287 -0.104 0.000 1.186 252 K CB 0.170 32.426 32.500 -0.407 0.000 1.214 252 K HN 0.188 nan 8.250 nan 0.000 0.428 253 A N 0.787 123.705 122.820 0.164 0.000 2.546 253 A HA -0.171 4.142 4.320 -0.012 0.000 0.190 253 A C 1.869 179.624 177.584 0.284 0.000 1.102 253 A CA 1.432 53.647 52.037 0.296 0.000 0.909 253 A CB -0.797 18.499 19.000 0.494 0.000 0.818 253 A HN 0.271 nan 8.150 nan 0.000 0.557 254 V N -0.508 119.560 119.914 0.256 0.000 3.461 254 V HA 0.198 4.311 4.120 -0.012 0.000 0.267 254 V C 2.438 178.626 176.094 0.157 0.000 1.186 254 V CA 1.409 63.778 62.300 0.116 0.000 1.154 254 V CB -0.533 31.279 31.823 -0.019 0.000 0.802 254 V HN 0.723 nan 8.190 nan 0.000 0.474 255 A N -1.248 121.633 122.820 0.100 0.000 2.121 255 A HA -0.133 4.180 4.320 -0.012 0.000 0.218 255 A C 1.869 179.562 177.584 0.181 0.000 1.154 255 A CA 1.216 53.206 52.037 -0.078 0.000 0.679 255 A CB -0.533 18.041 19.000 -0.709 0.000 0.795 255 A HN 0.609 nan 8.150 nan 0.000 0.458 256 Y N -0.023 120.423 120.300 0.243 0.000 2.133 256 Y HA -0.151 4.392 4.550 -0.012 0.000 0.287 256 Y C 2.637 178.583 175.900 0.077 0.000 1.134 256 Y CA 1.176 59.444 58.100 0.280 0.000 1.133 256 Y CB -0.763 37.791 38.460 0.157 0.000 0.987 256 Y HN 0.097 nan 8.280 nan 0.000 0.502 257 V N -0.919 119.019 119.914 0.041 0.000 2.317 257 V HA -0.337 3.776 4.120 -0.012 0.000 0.251 257 V C 0.966 176.821 176.094 -0.398 0.000 1.065 257 V CA 1.885 64.006 62.300 -0.299 0.000 1.049 257 V CB -1.179 30.286 31.823 -0.596 0.000 0.651 257 V HN 0.414 nan 8.190 nan 0.000 0.450 258 Y N 0.476 120.875 120.300 0.164 0.000 2.881 258 Y HA 0.544 5.087 4.550 -0.012 0.000 0.369 258 Y C 1.301 177.367 175.900 0.277 0.000 1.066 258 Y CA 0.173 58.378 58.100 0.174 0.000 1.616 258 Y CB -0.309 38.228 38.460 0.127 0.000 1.436 258 Y HN 0.140 nan 8.280 nan 0.000 0.505 259 G N -0.783 108.196 108.800 0.298 0.000 2.446 259 G HA2 0.194 4.147 3.960 -0.012 0.000 0.202 259 G HA3 0.194 4.147 3.960 -0.012 0.000 0.202 259 G C 0.202 175.209 174.900 0.178 0.000 1.842 259 G CA 0.289 45.589 45.100 0.333 0.000 0.703 259 G HN 0.239 nan 8.290 nan 0.000 0.731 260 L N -0.217 121.070 121.223 0.107 0.000 3.701 260 L HA 0.531 4.864 4.340 -0.012 0.000 0.182 260 L C 2.132 179.001 176.870 -0.000 0.000 1.227 260 L CA 0.149 55.013 54.840 0.041 0.000 0.926 260 L CB -0.845 41.215 42.059 0.002 0.000 1.561 260 L HN 0.337 nan 8.230 nan 0.000 0.672 261 I N 0.877 121.413 120.570 -0.056 0.000 4.796 261 I HA -0.498 3.665 4.170 -0.012 0.000 0.060 261 I C 2.136 178.232 176.117 -0.036 0.000 0.644 261 I CA 2.356 63.613 61.300 -0.072 0.000 0.476 261 I CB -1.309 36.616 38.000 -0.125 0.000 0.455 261 I HN 0.575 nan 8.210 nan 0.000 0.192 262 A N -0.363 122.431 122.820 -0.042 0.000 1.920 262 A HA -0.036 4.276 4.320 -0.012 0.000 0.209 262 A C 1.701 179.281 177.584 -0.006 0.000 1.229 262 A CA 1.299 53.322 52.037 -0.023 0.000 0.671 262 A CB -0.746 18.231 19.000 -0.038 0.000 0.886 262 A HN 0.660 nan 8.150 nan 0.000 0.461 263 D N 0.947 121.335 120.400 -0.021 0.000 2.119 263 D HA -0.105 4.528 4.640 -0.012 0.000 0.199 263 D C -0.928 175.387 176.300 0.026 0.000 0.987 263 D CA 1.702 55.700 54.000 -0.004 0.000 0.858 263 D CB -1.428 39.348 40.800 -0.040 0.000 1.008 263 D HN 0.302 nan 8.370 nan 0.000 0.450 264 P HA -0.062 nan 4.420 nan 0.000 0.221 264 P C 0.125 177.444 177.300 0.032 0.000 1.150 264 P CA 0.553 63.684 63.100 0.053 0.000 0.800 264 P CB 0.022 31.780 31.700 0.097 0.000 0.787 265 R N 0.899 121.420 120.500 0.035 0.000 2.640 265 R HA 0.078 4.411 4.340 -0.012 0.000 0.270 265 R C -0.316 176.002 176.300 0.030 0.000 1.024 265 R CA 0.239 56.362 56.100 0.037 0.000 1.085 265 R CB 0.321 30.648 30.300 0.045 0.000 0.963 265 R HN -0.092 nan 8.270 nan 0.000 0.426 266 R N 2.614 123.132 120.500 0.030 0.000 2.720 266 R HA 0.192 4.525 4.340 -0.012 0.000 0.272 266 R C 0.660 177.032 176.300 0.119 0.000 0.991 266 R CA -0.436 55.666 56.100 0.003 0.000 1.010 266 R CB 0.298 30.587 30.300 -0.019 0.000 1.141 266 R HN 0.668 nan 8.270 nan 0.000 0.494 267 Y N 0.153 120.466 120.300 0.021 0.000 1.931 267 Y HA -0.337 4.206 4.550 -0.012 0.000 0.240 267 Y C 0.296 176.202 175.900 0.010 0.000 1.189 267 Y CA 1.162 59.272 58.100 0.016 0.000 1.059 267 Y CB 0.125 38.596 38.460 0.019 0.000 0.880 267 Y HN 0.385 nan 8.280 nan 0.000 0.507 268 D N -0.701 119.814 120.400 0.191 0.000 2.780 268 D HA 0.293 4.926 4.640 -0.012 0.000 0.242 268 D C -0.939 175.399 176.300 0.062 0.000 1.135 268 D CA -0.496 53.560 54.000 0.093 0.000 0.859 268 D CB 1.981 42.817 40.800 0.060 0.000 1.530 268 D HN 0.033 nan 8.370 nan 0.000 0.493 269 L N 1.698 122.949 121.223 0.047 0.000 2.667 269 L HA 0.150 4.483 4.340 -0.012 0.000 0.278 269 L C 1.650 178.536 176.870 0.026 0.000 1.217 269 L CA 0.989 55.850 54.840 0.035 0.000 0.935 269 L CB -0.158 41.920 42.059 0.031 0.000 1.193 269 L HN 0.896 nan 8.230 nan 0.000 0.493 270 G N 2.353 111.167 108.800 0.023 0.000 3.151 270 G HA2 -0.165 3.788 3.960 -0.012 0.000 0.197 270 G HA3 -0.165 3.788 3.960 -0.012 0.000 0.197 270 G C 0.653 175.558 174.900 0.008 0.000 1.682 270 G CA 0.067 45.175 45.100 0.014 0.000 1.205 270 G HN 0.569 nan 8.290 nan 0.000 0.510 271 E N 0.095 120.294 120.200 -0.001 0.000 2.665 271 E HA 0.374 4.717 4.350 -0.012 0.000 0.225 271 E C 1.992 178.581 176.600 -0.019 0.000 0.922 271 E CA 0.472 56.857 56.400 -0.026 0.000 1.242 271 E CB 1.113 30.752 29.700 -0.100 0.000 1.197 271 E HN 0.594 nan 8.360 nan 0.000 0.581 272 A N 1.051 123.881 122.820 0.016 0.000 2.225 272 A HA 0.039 4.352 4.320 -0.012 0.000 0.215 272 A C 1.717 179.302 177.584 0.001 0.000 1.164 272 A CA 1.819 53.870 52.037 0.024 0.000 0.710 272 A CB -0.153 18.895 19.000 0.079 0.000 0.780 272 A HN 0.327 nan 8.150 nan 0.000 0.473 273 G N -1.965 106.841 108.800 0.011 0.000 4.195 273 G HA2 0.038 3.991 3.960 -0.012 0.000 0.150 273 G HA3 0.038 3.991 3.960 -0.012 0.000 0.150 273 G C 1.165 176.068 174.900 0.006 0.000 1.058 273 G CA 0.488 45.591 45.100 0.006 0.000 0.859 273 G HN 0.303 nan 8.290 nan 0.000 0.547 274 R N -0.406 120.104 120.500 0.017 0.000 2.120 274 R HA -0.056 4.277 4.340 -0.012 0.000 0.234 274 R C 2.008 178.324 176.300 0.026 0.000 1.123 274 R CA 1.478 57.583 56.100 0.010 0.000 0.975 274 R CB -0.371 29.940 30.300 0.019 0.000 0.866 274 R HN 0.348 nan 8.270 nan 0.000 0.446 275 Y N 1.719 121.967 120.300 -0.087 0.000 2.081 275 Y HA -0.305 4.238 4.550 -0.012 0.000 0.280 275 Y C 1.667 177.515 175.900 -0.086 0.000 1.163 275 Y CA 2.220 60.259 58.100 -0.102 0.000 1.135 275 Y CB -0.156 38.198 38.460 -0.176 0.000 0.970 275 Y HN -0.035 nan 8.280 nan 0.000 0.498 276 K N 0.359 120.704 120.400 -0.092 0.000 1.984 276 K HA -0.065 4.248 4.320 -0.012 0.000 0.209 276 K C 2.470 178.932 176.600 -0.230 0.000 1.046 276 K CA 1.515 57.690 56.287 -0.188 0.000 0.934 276 K CB -1.195 31.261 32.500 -0.074 0.000 0.717 276 K HN 0.322 nan 8.250 nan 0.000 0.438 277 A N 1.296 124.015 122.820 -0.169 0.000 1.896 277 A HA -0.350 3.963 4.320 -0.012 0.000 0.220 277 A C 2.278 179.752 177.584 -0.184 0.000 1.206 277 A CA 2.337 54.268 52.037 -0.177 0.000 0.647 277 A CB -0.669 18.262 19.000 -0.116 0.000 0.828 277 A HN 0.504 nan 8.150 nan 0.000 0.455 278 E N -0.956 119.155 120.200 -0.149 0.000 2.011 278 E HA -0.162 4.181 4.350 -0.012 0.000 0.191 278 E C 2.085 178.581 176.600 -0.174 0.000 0.979 278 E CA 0.724 57.044 56.400 -0.133 0.000 0.822 278 E CB -0.345 29.312 29.700 -0.071 0.000 0.782 278 E HN 0.645 nan 8.360 nan 0.000 0.459 279 E N 0.818 120.888 120.200 -0.218 0.000 2.119 279 E HA -0.352 3.991 4.350 -0.012 0.000 0.221 279 E C 1.982 178.456 176.600 -0.211 0.000 1.062 279 E CA 2.437 58.689 56.400 -0.246 0.000 0.894 279 E CB -0.099 29.310 29.700 -0.485 0.000 0.785 279 E HN 0.157 nan 8.360 nan 0.000 0.472 280 K N 0.192 120.438 120.400 -0.257 0.000 2.063 280 K HA -0.060 4.253 4.320 -0.012 0.000 0.208 280 K C 1.374 177.811 176.600 -0.273 0.000 1.048 280 K CA 1.551 57.708 56.287 -0.217 0.000 0.928 280 K CB -0.302 32.046 32.500 -0.254 0.000 0.713 280 K HN 0.346 nan 8.250 nan 0.000 0.442 281 L N -5.635 115.357 121.223 -0.385 0.000 2.765 281 L HA 0.607 4.940 4.340 -0.012 0.000 0.263 281 L C 0.092 176.779 176.870 -0.306 0.000 1.068 281 L CA -0.707 53.784 54.840 -0.582 0.000 0.903 281 L CB 1.175 42.439 42.059 -1.324 0.000 1.512 281 L HN 0.277 nan 8.230 nan 0.000 0.404 282 G N -0.031 108.639 108.800 -0.216 0.000 2.598 282 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.269 282 G HA3 -0.250 3.703 3.960 -0.012 0.000 0.269 282 G C 0.047 174.910 174.900 -0.060 0.000 1.289 282 G CA 0.708 45.751 45.100 -0.095 0.000 0.926 282 G HN 0.989 nan 8.290 nan 0.000 0.567 283 I N -1.121 119.428 120.570 -0.035 0.000 4.420 283 I HA 0.278 4.441 4.170 -0.012 0.000 0.292 283 I C 1.116 177.225 176.117 -0.013 0.000 1.153 283 I CA 0.028 61.317 61.300 -0.020 0.000 1.315 283 I CB 0.545 38.546 38.000 0.001 0.000 1.616 283 I HN 0.437 nan 8.210 nan 0.000 0.450 284 R N 0.897 121.395 120.500 -0.003 0.000 2.799 284 R HA 0.739 5.071 4.340 -0.012 0.000 0.270 284 R C -1.787 174.519 176.300 0.010 0.000 1.010 284 R CA -0.762 55.341 56.100 0.005 0.000 0.916 284 R CB 2.977 33.286 30.300 0.015 0.000 1.228 284 R HN -0.047 nan 8.270 nan 0.000 0.469 285 L N 0.725 121.957 121.223 0.015 0.000 2.635 285 L HA 0.268 4.601 4.340 -0.012 0.000 0.251 285 L C -1.260 175.628 176.870 0.030 0.000 1.056 285 L CA 0.013 54.869 54.840 0.025 0.000 0.936 285 L CB 1.663 43.731 42.059 0.016 0.000 1.162 285 L HN 0.580 nan 8.230 nan 0.000 0.481 286 S N 1.967 117.688 115.700 0.034 0.000 2.566 286 S HA 0.590 5.053 4.470 -0.012 0.000 0.280 286 S C 0.854 175.480 174.600 0.042 0.000 1.343 286 S CA 0.633 58.853 58.200 0.035 0.000 1.036 286 S CB 0.411 63.630 63.200 0.032 0.000 0.866 286 S HN 1.478 nan 8.310 nan 0.000 0.526 287 G N 2.480 111.305 108.800 0.042 0.000 2.682 287 G HA2 -0.231 3.722 3.960 -0.012 0.000 0.256 287 G HA3 -0.231 3.722 3.960 -0.012 0.000 0.256 287 G C 0.535 175.462 174.900 0.045 0.000 1.333 287 G CA 0.031 45.159 45.100 0.047 0.000 0.904 287 G HN 0.563 nan 8.290 nan 0.000 0.569 288 R N -0.258 120.271 120.500 0.048 0.000 1.633 288 R HA 0.203 4.536 4.340 -0.012 0.000 0.129 288 R C 2.238 178.566 176.300 0.046 0.000 0.840 288 R CA 1.498 57.624 56.100 0.044 0.000 1.694 288 R CB -1.520 28.807 30.300 0.045 0.000 0.620 288 R HN 0.763 nan 8.270 nan 0.000 0.667 289 T N 2.714 117.301 114.554 0.056 0.000 3.332 289 T HA 0.194 4.536 4.350 -0.012 0.000 0.367 289 T C 0.460 175.224 174.700 0.107 0.000 1.244 289 T CA -0.456 61.684 62.100 0.068 0.000 0.977 289 T CB -0.304 68.611 68.868 0.078 0.000 1.784 289 T HN 0.411 nan 8.240 nan 0.000 0.553 290 L N 0.441 121.761 121.223 0.160 0.000 2.652 290 L HA 0.553 4.886 4.340 -0.012 0.000 0.284 290 L C -0.013 176.983 176.870 0.210 0.000 1.204 290 L CA -0.723 54.245 54.840 0.213 0.000 1.105 290 L CB -1.324 40.926 42.059 0.319 0.000 1.393 290 L HN 0.416 nan 8.230 nan 0.000 0.452 291 A N 4.681 127.585 122.820 0.140 0.000 2.342 291 A HA 0.959 5.272 4.320 -0.012 0.000 0.323 291 A C -0.076 177.544 177.584 0.060 0.000 1.125 291 A CA -0.765 51.339 52.037 0.113 0.000 0.785 291 A CB 1.442 20.496 19.000 0.090 0.000 1.221 291 A HN 0.832 nan 8.150 nan 0.000 0.463 292 R N 0.852 121.371 120.500 0.032 0.000 3.791 292 R HA 0.270 4.602 4.340 -0.012 0.000 0.261 292 R C -1.243 175.054 176.300 -0.005 0.000 0.979 292 R CA -0.091 56.004 56.100 -0.008 0.000 1.020 292 R CB 0.393 30.611 30.300 -0.136 0.000 1.256 292 R HN 1.437 nan 8.270 nan 0.000 0.563 293 F N 0.347 120.211 119.950 -0.144 0.000 3.146 293 F HA 0.318 4.838 4.527 -0.012 0.000 0.395 293 F C 0.683 176.477 175.800 -0.011 0.000 1.103 293 F CA -0.136 57.839 58.000 -0.042 0.000 0.950 293 F CB -0.032 39.141 39.000 0.289 0.000 1.495 293 F HN 0.614 nan 8.300 nan 0.000 0.521 294 E N 0.799 120.610 120.200 -0.647 0.000 2.409 294 E HA -0.126 4.217 4.350 -0.012 0.000 0.198 294 E C 0.546 176.939 176.600 -0.345 0.000 1.024 294 E CA 1.671 57.670 56.400 -0.668 0.000 0.861 294 E CB 0.043 29.500 29.700 -0.404 0.000 0.788 294 E HN 0.456 nan 8.360 nan 0.000 0.521 295 D N -2.403 117.854 120.400 -0.238 0.000 2.473 295 D HA 0.157 4.790 4.640 -0.012 0.000 0.242 295 D C 1.039 177.279 176.300 -0.099 0.000 1.106 295 D CA 0.883 54.796 54.000 -0.145 0.000 0.854 295 D CB 1.152 41.885 40.800 -0.111 0.000 1.192 295 D HN 0.265 nan 8.370 nan 0.000 0.503 296 G N 0.992 109.726 108.800 -0.109 0.000 2.284 296 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.230 296 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.230 296 G C 0.308 175.231 174.900 0.038 0.000 1.021 296 G CA 0.198 45.279 45.100 -0.032 0.000 0.619 296 G HN 0.300 nan 8.290 nan 0.000 0.510 297 E N 1.394 121.591 120.200 -0.006 0.000 2.152 297 E HA 0.497 4.840 4.350 -0.012 0.000 0.285 297 E C -0.591 176.023 176.600 0.024 0.000 1.043 297 E CA -0.741 55.693 56.400 0.058 0.000 0.839 297 E CB 0.069 29.776 29.700 0.010 0.000 1.069 297 E HN 0.127 nan 8.360 nan 0.000 0.399 298 F N 3.541 123.486 119.950 -0.009 0.000 2.410 298 F HA 0.186 4.706 4.527 -0.012 0.000 0.334 298 F C 0.941 176.746 175.800 0.008 0.000 1.134 298 F CA 0.119 58.127 58.000 0.013 0.000 1.227 298 F CB 0.794 39.803 39.000 0.016 0.000 1.194 298 F HN 0.336 nan 8.300 nan 0.000 0.571 299 K N 1.328 121.823 120.400 0.158 0.000 2.426 299 K HA 0.417 4.730 4.320 -0.012 0.000 0.254 299 K C -1.786 174.926 176.600 0.186 0.000 0.936 299 K CA -0.859 55.497 56.287 0.115 0.000 0.801 299 K CB 1.889 34.418 32.500 0.049 0.000 1.139 299 K HN 0.554 nan 8.250 nan 0.000 0.424 300 D N 2.954 123.475 120.400 0.201 0.000 2.460 300 D HA 0.029 4.662 4.640 -0.012 0.000 0.268 300 D C -0.326 176.130 176.300 0.260 0.000 1.153 300 D CA -0.449 53.711 54.000 0.266 0.000 0.929 300 D CB 1.386 42.346 40.800 0.267 0.000 1.015 300 D HN 0.829 nan 8.370 nan 0.000 0.502 301 E N 0.967 121.282 120.200 0.190 0.000 2.382 301 E HA 0.034 4.377 4.350 -0.012 0.000 0.190 301 E C 0.524 177.194 176.600 0.117 0.000 1.125 301 E CA 0.046 56.533 56.400 0.145 0.000 0.929 301 E CB 0.308 30.066 29.700 0.096 0.000 1.053 301 E HN 0.290 nan 8.360 nan 0.000 0.475 302 V N -0.579 119.440 119.914 0.174 0.000 2.721 302 V HA -0.037 4.076 4.120 -0.012 0.000 0.236 302 V C 1.248 177.339 176.094 -0.005 0.000 1.116 302 V CA 0.588 62.927 62.300 0.065 0.000 1.148 302 V CB -0.373 31.489 31.823 0.066 0.000 0.886 302 V HN 0.305 nan 8.190 nan 0.000 0.490 303 F N 0.125 120.078 119.950 0.005 0.000 2.365 303 F HA -0.030 4.490 4.527 -0.012 0.000 0.300 303 F C 1.974 177.732 175.800 -0.070 0.000 1.090 303 F CA 1.073 59.053 58.000 -0.033 0.000 1.408 303 F CB -0.513 38.471 39.000 -0.026 0.000 1.060 303 F HN 0.103 nan 8.300 nan 0.000 0.534 304 L N 0.722 122.014 121.223 0.116 0.000 2.023 304 L HA 0.036 4.369 4.340 -0.012 0.000 0.205 304 L C -0.670 176.185 176.870 -0.026 0.000 1.073 304 L CA 1.831 56.653 54.840 -0.030 0.000 0.745 304 L CB -1.688 40.364 42.059 -0.012 0.000 0.900 304 L HN -0.133 nan 8.230 nan 0.000 0.435 305 P HA -0.145 nan 4.420 nan 0.000 0.215 305 P C 1.652 178.980 177.300 0.048 0.000 1.157 305 P CA 2.442 65.550 63.100 0.013 0.000 0.868 305 P CB -0.359 31.323 31.700 -0.031 0.000 0.788 306 T N -1.982 112.577 114.554 0.009 0.000 2.653 306 T HA -0.222 4.121 4.350 -0.012 0.000 0.268 306 T C 1.753 176.548 174.700 0.159 0.000 1.035 306 T CA 1.368 63.518 62.100 0.084 0.000 1.154 306 T CB -1.284 67.529 68.868 -0.091 0.000 0.862 306 T HN -0.076 nan 8.240 nan 0.000 0.441 307 L N 0.855 122.066 121.223 -0.020 0.000 2.095 307 L HA 0.299 4.632 4.340 -0.012 0.000 0.204 307 L C 2.824 179.598 176.870 -0.160 0.000 1.080 307 L CA 1.259 55.975 54.840 -0.206 0.000 0.759 307 L CB -0.617 41.175 42.059 -0.446 0.000 0.914 307 L HN 0.190 nan 8.230 nan 0.000 0.439 308 R N -2.189 118.281 120.500 -0.049 0.000 2.377 308 R HA -0.200 4.133 4.340 -0.012 0.000 0.207 308 R C 1.305 177.743 176.300 0.230 0.000 1.075 308 R CA 1.071 57.219 56.100 0.079 0.000 1.035 308 R CB 0.030 30.380 30.300 0.085 0.000 0.857 308 R HN 0.389 nan 8.270 nan 0.000 0.475 309 Y N -1.508 118.812 120.300 0.033 0.000 2.585 309 Y HA 0.037 4.580 4.550 -0.012 0.000 0.272 309 Y C 1.374 177.167 175.900 -0.178 0.000 1.119 309 Y CA -0.125 57.939 58.100 -0.061 0.000 1.255 309 Y CB 0.171 38.610 38.460 -0.034 0.000 1.284 309 Y HN 0.028 nan 8.280 nan 0.000 0.499 310 L N -0.362 120.965 121.223 0.174 0.000 2.044 310 L HA -0.079 4.254 4.340 -0.012 0.000 0.205 310 L C 1.780 178.827 176.870 0.296 0.000 1.075 310 L CA 1.991 56.968 54.840 0.229 0.000 0.747 310 L CB -1.126 41.214 42.059 0.468 0.000 0.903 310 L HN 0.244 nan 8.230 nan 0.000 0.435 311 F N -0.752 119.225 119.950 0.045 0.000 2.365 311 F HA -0.120 4.400 4.527 -0.012 0.000 0.300 311 F C 2.277 178.106 175.800 0.050 0.000 1.090 311 F CA 0.277 58.291 58.000 0.024 0.000 1.408 311 F CB -0.177 38.810 39.000 -0.021 0.000 1.060 311 F HN 0.271 nan 8.300 nan 0.000 0.534 312 A N -0.344 122.597 122.820 0.202 0.000 2.072 312 A HA -0.013 4.300 4.320 -0.012 0.000 0.216 312 A C 1.809 179.287 177.584 -0.177 0.000 1.156 312 A CA 0.630 52.692 52.037 0.042 0.000 0.701 312 A CB -0.349 18.591 19.000 -0.100 0.000 0.816 312 A HN 0.368 nan 8.150 nan 0.000 0.458 313 L N -0.087 121.004 121.223 -0.219 0.000 2.116 313 L HA 0.016 4.349 4.340 -0.012 0.000 0.200 313 L C 2.363 179.265 176.870 0.054 0.000 1.084 313 L CA 2.638 57.329 54.840 -0.248 0.000 0.766 313 L CB -1.031 40.767 42.059 -0.435 0.000 0.930 313 L HN 0.342 nan 8.230 nan 0.000 0.453 314 T N -1.156 113.499 114.554 0.169 0.000 3.118 314 T HA 0.250 4.593 4.350 -0.012 0.000 0.269 314 T C 0.589 175.328 174.700 0.066 0.000 1.166 314 T CA 0.487 62.696 62.100 0.181 0.000 1.073 314 T CB -0.994 67.903 68.868 0.047 0.000 0.884 314 T HN 0.549 nan 8.240 nan 0.000 0.550 315 A N -0.815 122.037 122.820 0.053 0.000 2.549 315 A HA 0.782 5.095 4.320 -0.012 0.000 0.297 315 A C 0.724 178.316 177.584 0.014 0.000 1.061 315 A CA -0.215 51.839 52.037 0.027 0.000 0.690 315 A CB 1.053 20.067 19.000 0.022 0.000 1.287 315 A HN 1.210 nan 8.150 nan 0.000 0.402 316 G N -0.459 108.346 108.800 0.009 0.000 2.574 316 G HA2 0.092 4.045 3.960 -0.012 0.000 0.286 316 G HA3 0.092 4.045 3.960 -0.012 0.000 0.286 316 G C -0.103 174.778 174.900 -0.031 0.000 1.212 316 G CA 0.336 45.428 45.100 -0.014 0.000 0.979 316 G HN 2.057 nan 8.290 nan 0.000 0.557 317 V N 1.216 121.082 119.914 -0.079 0.000 2.818 317 V HA 0.337 4.450 4.120 -0.012 0.000 0.256 317 V C -1.423 174.554 176.094 -0.196 0.000 0.925 317 V CA 0.123 62.349 62.300 -0.123 0.000 0.908 317 V CB 1.629 33.398 31.823 -0.091 0.000 1.052 317 V HN 0.644 nan 8.190 nan 0.000 0.498 318 P HA 0.224 nan 4.420 nan 0.000 0.222 318 P C 0.925 178.069 177.300 -0.260 0.000 1.153 318 P CA 1.487 64.431 63.100 -0.260 0.000 0.798 318 P CB 0.559 32.042 31.700 -0.361 0.000 0.796 319 G N -2.111 106.488 108.800 -0.335 0.000 2.593 319 G HA2 0.081 4.034 3.960 -0.012 0.000 0.103 319 G HA3 0.081 4.034 3.960 -0.012 0.000 0.103 319 G C -1.473 173.055 174.900 -0.620 0.000 1.103 319 G CA -0.503 44.314 45.100 -0.471 0.000 1.109 319 G HN 0.009 nan 8.290 nan 0.000 0.516 320 H N 1.617 120.629 119.070 -0.096 0.000 2.348 320 H HA 0.327 4.876 4.556 -0.012 0.000 0.232 320 H C 0.634 175.898 175.328 -0.107 0.000 1.419 320 H CA -0.528 55.461 56.048 -0.097 0.000 1.416 320 H CB 1.127 30.850 29.762 -0.064 0.000 1.510 320 H HN 0.464 nan 8.280 nan 0.000 0.507 321 E N 0.706 120.848 120.200 -0.098 0.000 2.284 321 E HA -0.077 4.266 4.350 -0.012 0.000 0.200 321 E C 0.990 177.563 176.600 -0.045 0.000 1.008 321 E CA 0.294 56.622 56.400 -0.120 0.000 0.829 321 E CB -0.005 29.488 29.700 -0.345 0.000 0.744 321 E HN 0.268 nan 8.360 nan 0.000 0.491 322 V N 2.620 122.480 119.914 -0.090 0.000 2.975 322 V HA -0.150 3.963 4.120 -0.012 0.000 0.300 322 V C 0.502 176.628 176.094 0.054 0.000 1.186 322 V CA 0.895 63.154 62.300 -0.068 0.000 1.311 322 V CB 0.286 32.052 31.823 -0.095 0.000 0.917 322 V HN 0.058 nan 8.190 nan 0.000 0.512 323 D N 1.716 122.183 120.400 0.110 0.000 2.593 323 D HA 0.173 4.806 4.640 -0.012 0.000 0.251 323 D C -0.631 175.755 176.300 0.145 0.000 1.140 323 D CA -0.420 53.680 54.000 0.168 0.000 0.855 323 D CB 1.729 42.712 40.800 0.305 0.000 1.267 323 D HN 0.565 nan 8.370 nan 0.000 0.532 324 D N 3.053 123.545 120.400 0.153 0.000 2.367 324 D HA 0.061 4.694 4.640 -0.012 0.000 0.255 324 D C 1.552 177.951 176.300 0.164 0.000 1.300 324 D CA -0.171 53.935 54.000 0.177 0.000 0.959 324 D CB 0.465 41.425 40.800 0.267 0.000 1.064 324 D HN 0.423 nan 8.370 nan 0.000 0.509 325 I N 1.920 122.544 120.570 0.090 0.000 2.623 325 I HA -0.236 3.927 4.170 -0.012 0.000 0.261 325 I C 0.967 177.122 176.117 0.064 0.000 1.204 325 I CA 0.947 62.248 61.300 0.002 0.000 1.444 325 I CB 0.053 38.034 38.000 -0.031 0.000 1.094 325 I HN 0.265 nan 8.210 nan 0.000 0.451 326 D N -1.633 118.881 120.400 0.190 0.000 2.398 326 D HA 0.020 4.653 4.640 -0.012 0.000 0.210 326 D C 0.709 177.105 176.300 0.159 0.000 1.094 326 D CA 0.083 54.241 54.000 0.263 0.000 0.839 326 D CB -0.021 40.986 40.800 0.344 0.000 0.963 326 D HN 0.250 nan 8.370 nan 0.000 0.506 327 H N 1.531 120.533 119.070 -0.112 0.000 2.886 327 H HA 0.017 4.567 4.556 -0.012 0.000 0.329 327 H C 1.033 176.230 175.328 -0.217 0.000 1.044 327 H CA -0.268 55.530 56.048 -0.416 0.000 1.456 327 H CB 1.119 30.757 29.762 -0.207 0.000 1.464 327 H HN -0.136 nan 8.280 nan 0.000 0.573 328 L N 4.459 125.688 121.223 0.011 0.000 2.642 328 L HA -0.022 4.311 4.340 -0.012 0.000 0.236 328 L C 2.306 179.128 176.870 -0.081 0.000 1.169 328 L CA 1.427 56.265 54.840 -0.003 0.000 0.851 328 L CB -0.556 41.511 42.059 0.014 0.000 0.968 328 L HN 0.789 nan 8.230 nan 0.000 0.453 329 G N -1.615 107.214 108.800 0.049 0.000 3.088 329 G HA2 -0.057 3.896 3.960 -0.012 0.000 0.217 329 G HA3 -0.057 3.896 3.960 -0.012 0.000 0.217 329 G C 1.218 175.995 174.900 -0.205 0.000 1.159 329 G CA -0.036 44.981 45.100 -0.138 0.000 0.760 329 G HN 0.367 nan 8.290 nan 0.000 0.550 330 N N -0.108 118.524 118.700 -0.113 0.000 2.193 330 N HA 0.135 4.868 4.740 -0.012 0.000 0.210 330 N C 0.334 175.833 175.510 -0.019 0.000 1.215 330 N CA -0.047 53.032 53.050 0.049 0.000 0.901 330 N CB 1.078 39.675 38.487 0.184 0.000 1.060 330 N HN 0.201 nan 8.380 nan 0.000 0.508 331 R N 0.654 121.075 120.500 -0.131 0.000 2.514 331 R HA 0.464 4.797 4.340 -0.012 0.000 0.301 331 R C -0.237 175.931 176.300 -0.220 0.000 0.962 331 R CA -0.589 55.457 56.100 -0.089 0.000 0.882 331 R CB 2.462 32.742 30.300 -0.032 0.000 1.143 331 R HN -0.040 nan 8.270 nan 0.000 0.452 332 R N 2.407 122.812 120.500 -0.158 0.000 2.778 332 R HA 0.462 4.795 4.340 -0.012 0.000 0.277 332 R C -1.078 175.009 176.300 -0.356 0.000 0.977 332 R CA -0.754 55.227 56.100 -0.197 0.000 0.950 332 R CB 1.068 31.404 30.300 0.059 0.000 1.165 332 R HN 0.386 nan 8.270 nan 0.000 0.474 333 I N 3.323 123.787 120.570 -0.177 0.000 2.377 333 I HA 0.357 4.520 4.170 -0.012 0.000 0.293 333 I C -0.216 175.853 176.117 -0.081 0.000 0.987 333 I CA -0.581 60.633 61.300 -0.143 0.000 1.185 333 I CB 1.745 39.721 38.000 -0.040 0.000 1.341 333 I HN 0.544 nan 8.210 nan 0.000 0.455 334 R N 3.636 124.103 120.500 -0.055 0.000 2.239 334 R HA 0.549 4.882 4.340 -0.012 0.000 0.332 334 R C -0.004 176.361 176.300 0.108 0.000 0.988 334 R CA -0.675 55.472 56.100 0.078 0.000 0.859 334 R CB 0.139 30.538 30.300 0.165 0.000 1.148 334 R HN 0.693 nan 8.270 nan 0.000 0.482 335 T N -0.831 113.794 114.554 0.119 0.000 2.595 335 T HA -0.062 4.281 4.350 -0.012 0.000 0.339 335 T C 1.716 176.518 174.700 0.169 0.000 1.059 335 T CA -0.516 61.658 62.100 0.124 0.000 1.035 335 T CB 0.460 69.404 68.868 0.127 0.000 1.003 335 T HN 0.261 nan 8.240 nan 0.000 0.540 336 V N 1.797 121.819 119.914 0.179 0.000 2.324 336 V HA -0.124 3.989 4.120 -0.012 0.000 0.250 336 V C 2.930 179.238 176.094 0.356 0.000 1.060 336 V CA 2.357 64.810 62.300 0.254 0.000 1.042 336 V CB -1.920 30.036 31.823 0.222 0.000 0.650 336 V HN 1.131 nan 8.190 nan 0.000 0.450 337 G N -0.521 108.487 108.800 0.348 0.000 2.628 337 G HA2 -0.372 3.580 3.960 -0.012 0.000 0.217 337 G HA3 -0.372 3.580 3.960 -0.012 0.000 0.217 337 G C 1.497 176.509 174.900 0.188 0.000 1.240 337 G CA 1.147 46.406 45.100 0.265 0.000 0.792 337 G HN 0.559 nan 8.290 nan 0.000 0.593 338 E N -0.013 120.309 120.200 0.204 0.000 2.114 338 E HA -0.161 4.182 4.350 -0.012 0.000 0.199 338 E C 2.609 179.318 176.600 0.182 0.000 1.008 338 E CA 1.024 57.576 56.400 0.253 0.000 0.810 338 E CB -0.258 29.633 29.700 0.317 0.000 0.739 338 E HN 0.474 nan 8.360 nan 0.000 0.456 339 L N 0.118 121.446 121.223 0.175 0.000 2.127 339 L HA -0.206 4.127 4.340 -0.012 0.000 0.211 339 L C 2.740 179.493 176.870 -0.196 0.000 1.089 339 L CA 0.862 55.758 54.840 0.093 0.000 0.757 339 L CB -0.311 41.934 42.059 0.310 0.000 0.899 339 L HN 0.388 nan 8.230 nan 0.000 0.434 340 M N -1.063 118.566 119.600 0.047 0.000 2.276 340 M HA -0.141 4.332 4.480 -0.012 0.000 0.262 340 M C 2.428 178.741 176.300 0.023 0.000 1.098 340 M CA 1.862 57.191 55.300 0.047 0.000 1.167 340 M CB -0.442 32.404 32.600 0.409 0.000 1.337 340 M HN 0.140 nan 8.290 nan 0.000 0.446 341 T N 1.167 115.738 114.554 0.028 0.000 2.685 341 T HA -0.195 4.148 4.350 -0.012 0.000 0.268 341 T C 1.260 176.027 174.700 0.113 0.000 1.034 341 T CA 2.188 64.287 62.100 -0.001 0.000 1.149 341 T CB -0.285 68.510 68.868 -0.121 0.000 0.860 341 T HN 0.380 nan 8.240 nan 0.000 0.449 342 D N 0.183 120.630 120.400 0.077 0.000 2.117 342 D HA -0.050 4.583 4.640 -0.012 0.000 0.198 342 D C 2.137 178.432 176.300 -0.007 0.000 0.982 342 D CA 1.002 55.046 54.000 0.074 0.000 0.828 342 D CB -0.395 40.446 40.800 0.068 0.000 0.967 342 D HN 0.395 nan 8.370 nan 0.000 0.464 343 Q N -0.587 119.127 119.800 -0.144 0.000 2.472 343 Q HA 0.006 4.339 4.340 -0.012 0.000 0.208 343 Q C 1.322 177.321 176.000 -0.003 0.000 0.958 343 Q CA 0.238 55.934 55.803 -0.179 0.000 0.932 343 Q CB -0.294 28.113 28.738 -0.552 0.000 1.007 343 Q HN 0.264 nan 8.270 nan 0.000 0.508 344 F N 0.039 119.941 119.950 -0.081 0.000 2.569 344 F HA 0.106 4.626 4.527 -0.012 0.000 0.295 344 F C 1.824 177.610 175.800 -0.023 0.000 1.115 344 F CA 0.539 58.526 58.000 -0.020 0.000 1.450 344 F CB 0.262 39.256 39.000 -0.010 0.000 1.107 344 F HN 0.091 nan 8.300 nan 0.000 0.563 345 R N -0.613 119.924 120.500 0.063 0.000 2.280 345 R HA 0.109 4.442 4.340 -0.012 0.000 0.195 345 R C 1.167 177.417 176.300 -0.084 0.000 0.935 345 R CA 1.023 57.109 56.100 -0.023 0.000 1.033 345 R CB -0.669 29.668 30.300 0.062 0.000 0.964 345 R HN 0.260 nan 8.270 nan 0.000 0.489 346 V N 1.121 120.993 119.914 -0.071 0.000 2.591 346 V HA -0.014 4.099 4.120 -0.012 0.000 0.249 346 V C 2.420 178.450 176.094 -0.106 0.000 1.053 346 V CA 1.853 64.113 62.300 -0.067 0.000 1.068 346 V CB -0.273 31.526 31.823 -0.041 0.000 0.689 346 V HN 0.613 nan 8.190 nan 0.000 0.462 347 G N 0.068 108.773 108.800 -0.159 0.000 2.394 347 G HA2 -0.150 3.803 3.960 -0.012 0.000 0.215 347 G HA3 -0.150 3.803 3.960 -0.012 0.000 0.215 347 G C 1.350 176.100 174.900 -0.250 0.000 1.165 347 G CA 0.420 45.399 45.100 -0.201 0.000 0.784 347 G HN 0.423 nan 8.290 nan 0.000 0.535 348 L N 1.172 122.203 121.223 -0.319 0.000 2.549 348 L HA 0.208 4.541 4.340 -0.012 0.000 0.229 348 L C 2.844 179.571 176.870 -0.239 0.000 1.158 348 L CA 1.034 55.674 54.840 -0.333 0.000 0.842 348 L CB -0.430 41.408 42.059 -0.368 0.000 0.952 348 L HN 0.293 nan 8.230 nan 0.000 0.452 349 A N -0.392 122.324 122.820 -0.173 0.000 1.862 349 A HA -0.061 4.252 4.320 -0.012 0.000 0.211 349 A C 2.374 179.892 177.584 -0.110 0.000 1.220 349 A CA 0.568 52.530 52.037 -0.126 0.000 0.616 349 A CB -0.261 18.686 19.000 -0.090 0.000 0.878 349 A HN 0.280 nan 8.150 nan 0.000 0.453 350 R N -0.564 119.876 120.500 -0.100 0.000 2.159 350 R HA -0.114 4.219 4.340 -0.012 0.000 0.237 350 R C 1.978 178.223 176.300 -0.091 0.000 1.131 350 R CA 1.382 57.434 56.100 -0.079 0.000 0.982 350 R CB -0.539 29.721 30.300 -0.066 0.000 0.868 350 R HN 0.533 nan 8.270 nan 0.000 0.453 351 L N 0.385 121.533 121.223 -0.126 0.000 2.022 351 L HA 0.070 4.403 4.340 -0.012 0.000 0.204 351 L C 2.180 178.974 176.870 -0.127 0.000 1.076 351 L CA 1.924 56.684 54.840 -0.133 0.000 0.749 351 L CB -0.796 41.150 42.059 -0.188 0.000 0.903 351 L HN 0.084 nan 8.230 nan 0.000 0.439 352 A N -0.449 122.277 122.820 -0.157 0.000 2.194 352 A HA -0.219 4.094 4.320 -0.012 0.000 0.220 352 A C 2.284 179.813 177.584 -0.092 0.000 1.162 352 A CA 1.915 53.868 52.037 -0.139 0.000 0.674 352 A CB -0.677 18.227 19.000 -0.160 0.000 0.789 352 A HN 0.632 nan 8.150 nan 0.000 0.470 353 R N -1.728 118.724 120.500 -0.081 0.000 2.123 353 R HA 0.070 4.403 4.340 -0.012 0.000 0.209 353 R C 2.407 178.678 176.300 -0.047 0.000 1.078 353 R CA 0.729 56.795 56.100 -0.057 0.000 1.028 353 R CB -0.486 29.784 30.300 -0.052 0.000 0.939 353 R HN 0.425 nan 8.270 nan 0.000 0.463 354 G N 0.592 109.361 108.800 -0.052 0.000 2.471 354 G HA2 -0.177 3.776 3.960 -0.012 0.000 0.219 354 G HA3 -0.177 3.776 3.960 -0.012 0.000 0.219 354 G C 1.339 176.216 174.900 -0.039 0.000 1.125 354 G CA 0.409 45.484 45.100 -0.042 0.000 0.775 354 G HN 0.183 nan 8.290 nan 0.000 0.548 355 V N 0.177 120.063 119.914 -0.048 0.000 2.535 355 V HA 0.072 4.185 4.120 -0.012 0.000 0.246 355 V C 2.773 178.850 176.094 -0.028 0.000 1.045 355 V CA 1.325 63.601 62.300 -0.039 0.000 1.058 355 V CB -0.297 31.496 31.823 -0.049 0.000 0.689 355 V HN 0.327 nan 8.190 nan 0.000 0.461 356 R N -0.021 120.459 120.500 -0.033 0.000 2.105 356 R HA -0.184 4.149 4.340 -0.012 0.000 0.239 356 R C 2.179 178.470 176.300 -0.015 0.000 1.135 356 R CA 2.071 58.157 56.100 -0.024 0.000 0.967 356 R CB -0.279 30.004 30.300 -0.028 0.000 0.861 356 R HN 0.645 nan 8.270 nan 0.000 0.442 357 E N -0.124 120.066 120.200 -0.016 0.000 2.150 357 E HA -0.180 4.163 4.350 -0.012 0.000 0.193 357 E C 1.958 178.554 176.600 -0.007 0.000 0.985 357 E CA 0.818 57.211 56.400 -0.011 0.000 0.814 357 E CB 0.000 29.693 29.700 -0.013 0.000 0.752 357 E HN 0.147 nan 8.360 nan 0.000 0.466 358 R N 0.072 120.567 120.500 -0.008 0.000 2.235 358 R HA 0.070 4.403 4.340 -0.012 0.000 0.213 358 R C 1.925 178.227 176.300 0.004 0.000 1.059 358 R CA 0.455 56.553 56.100 -0.004 0.000 0.997 358 R CB 0.055 30.351 30.300 -0.006 0.000 0.884 358 R HN 0.083 nan 8.270 nan 0.000 0.462 359 M N -0.088 119.514 119.600 0.004 0.000 2.659 359 M HA 0.048 4.521 4.480 -0.012 0.000 0.243 359 M C 0.107 176.414 176.300 0.012 0.000 1.111 359 M CA 1.256 56.563 55.300 0.012 0.000 1.070 359 M CB 0.249 32.855 32.600 0.010 0.000 1.525 359 M HN 0.129 nan 8.290 nan 0.000 0.517 360 L N -1.648 119.578 121.223 0.006 0.000 3.289 360 L HA 0.213 4.546 4.340 -0.012 0.000 0.291 360 L C 1.113 177.985 176.870 0.003 0.000 1.279 360 L CA -0.128 54.715 54.840 0.005 0.000 1.025 360 L CB 0.270 42.331 42.059 0.003 0.000 1.413 360 L HN 0.190 nan 8.230 nan 0.000 0.593 361 M N -1.027 118.575 119.600 0.004 0.000 2.195 361 M HA 0.257 4.730 4.480 -0.012 0.000 0.243 361 M C 1.234 177.536 176.300 0.003 0.000 1.313 361 M CA 0.109 55.410 55.300 0.002 0.000 1.077 361 M CB 0.824 33.424 32.600 -0.000 0.000 1.664 361 M HN 0.248 nan 8.290 nan 0.000 0.584 362 G N 0.501 109.305 108.800 0.007 0.000 2.432 362 G HA2 0.183 4.136 3.960 -0.012 0.000 0.239 362 G HA3 0.183 4.136 3.960 -0.012 0.000 0.239 362 G C 0.520 175.422 174.900 0.005 0.000 1.291 362 G CA -0.195 44.910 45.100 0.008 0.000 0.863 362 G HN 0.246 nan 8.290 nan 0.000 0.560 363 S N 1.715 117.416 115.700 0.001 0.000 2.436 363 S HA -0.062 4.401 4.470 -0.012 0.000 0.215 363 S C 1.480 176.073 174.600 -0.012 0.000 1.047 363 S CA 1.633 59.830 58.200 -0.005 0.000 1.086 363 S CB -0.122 63.074 63.200 -0.006 0.000 1.072 363 S HN 0.803 nan 8.310 nan 0.000 0.411 364 E N -0.610 119.580 120.200 -0.017 0.000 3.343 364 E HA 0.171 4.514 4.350 -0.012 0.000 0.221 364 E C 0.719 177.289 176.600 -0.051 0.000 1.224 364 E CA -0.069 56.305 56.400 -0.043 0.000 1.057 364 E CB -0.036 29.630 29.700 -0.058 0.000 3.107 364 E HN 0.105 nan 8.360 nan 0.000 0.568 365 D N 0.568 120.935 120.400 -0.054 0.000 2.354 365 D HA 0.096 4.729 4.640 -0.012 0.000 0.209 365 D C -0.338 175.996 176.300 0.057 0.000 1.015 365 D CA 0.257 54.246 54.000 -0.018 0.000 0.867 365 D CB 0.494 41.266 40.800 -0.046 0.000 0.933 365 D HN -0.099 nan 8.370 nan 0.000 0.520 366 S N 0.804 116.523 115.700 0.031 0.000 3.729 366 S HA 0.250 4.713 4.470 -0.012 0.000 0.235 366 S C 1.030 175.652 174.600 0.036 0.000 1.367 366 S CA -0.252 57.967 58.200 0.032 0.000 0.907 366 S CB -0.159 63.050 63.200 0.015 0.000 1.471 366 S HN 0.323 nan 8.310 nan 0.000 0.476 367 L N -1.503 119.753 121.223 0.055 0.000 2.860 367 L HA 0.250 4.583 4.340 -0.012 0.000 0.251 367 L C 1.716 178.604 176.870 0.030 0.000 1.041 367 L CA -0.218 54.649 54.840 0.045 0.000 0.985 367 L CB -1.083 41.016 42.059 0.068 0.000 1.656 367 L HN 0.179 nan 8.230 nan 0.000 0.526 368 T N 2.047 116.616 114.554 0.026 0.000 2.493 368 T HA -0.132 4.211 4.350 -0.012 0.000 0.256 368 T C -0.697 174.008 174.700 0.007 0.000 1.195 368 T CA 2.522 64.626 62.100 0.005 0.000 1.183 368 T CB -1.603 67.259 68.868 -0.010 0.000 0.863 368 T HN 0.317 nan 8.240 nan 0.000 0.418 369 P HA -0.066 nan 4.420 nan 0.000 0.217 369 P C 1.185 178.480 177.300 -0.008 0.000 1.215 369 P CA 1.111 64.209 63.100 -0.003 0.000 0.793 369 P CB -0.192 31.504 31.700 -0.007 0.000 0.606 370 A N -1.204 121.604 122.820 -0.019 0.000 2.067 370 A HA -0.140 4.173 4.320 -0.012 0.000 0.219 370 A C 1.960 179.533 177.584 -0.019 0.000 1.158 370 A CA 1.510 53.529 52.037 -0.029 0.000 0.661 370 A CB -1.109 17.866 19.000 -0.041 0.000 0.801 370 A HN 0.196 nan 8.150 nan 0.000 0.452 371 K N -1.030 119.365 120.400 -0.009 0.000 2.589 371 K HA 0.108 4.421 4.320 -0.012 0.000 0.192 371 K C 0.915 177.514 176.600 -0.001 0.000 1.029 371 K CA 0.549 56.834 56.287 -0.004 0.000 1.031 371 K CB -0.242 32.260 32.500 0.003 0.000 0.821 371 K HN 0.394 nan 8.250 nan 0.000 0.502 372 L N -1.736 119.485 121.223 -0.003 0.000 3.017 372 L HA 0.353 4.686 4.340 -0.012 0.000 0.265 372 L C -0.974 175.891 176.870 -0.009 0.000 1.128 372 L CA 0.096 54.935 54.840 -0.001 0.000 0.984 372 L CB 1.376 43.441 42.059 0.009 0.000 1.464 372 L HN -0.198 nan 8.230 nan 0.000 0.556 373 V N 1.872 121.778 119.914 -0.013 0.000 2.733 373 V HA 0.491 4.604 4.120 -0.012 0.000 0.306 373 V C -1.292 174.780 176.094 -0.036 0.000 1.084 373 V CA -0.725 61.562 62.300 -0.022 0.000 0.905 373 V CB 2.038 33.859 31.823 -0.004 0.000 1.010 373 V HN 0.413 nan 8.190 nan 0.000 0.424 374 N N 2.019 120.692 118.700 -0.045 0.000 2.272 374 N HA 0.364 5.097 4.740 -0.012 0.000 0.305 374 N C 0.252 175.727 175.510 -0.057 0.000 1.103 374 N CA -0.755 52.263 53.050 -0.054 0.000 0.791 374 N CB 1.962 40.423 38.487 -0.044 0.000 1.356 374 N HN 0.318 nan 8.380 nan 0.000 0.486 375 S N 0.684 116.344 115.700 -0.066 0.000 2.461 375 S HA -0.039 4.424 4.470 -0.012 0.000 0.228 375 S C 1.555 176.131 174.600 -0.040 0.000 1.005 375 S CA 0.193 58.358 58.200 -0.058 0.000 0.942 375 S CB -0.211 62.943 63.200 -0.077 0.000 0.776 375 S HN 0.549 nan 8.310 nan 0.000 0.514 376 R N 2.048 122.528 120.500 -0.033 0.000 2.174 376 R HA -0.098 4.235 4.340 -0.012 0.000 0.253 376 R C -1.165 175.123 176.300 -0.019 0.000 1.165 376 R CA 1.615 57.704 56.100 -0.018 0.000 0.984 376 R CB -1.524 28.766 30.300 -0.016 0.000 0.873 376 R HN 0.382 nan 8.270 nan 0.000 0.456 377 P HA -0.063 nan 4.420 nan 0.000 0.204 377 P C 1.101 178.375 177.300 -0.045 0.000 1.215 377 P CA 0.211 63.285 63.100 -0.044 0.000 0.908 377 P CB -0.166 31.492 31.700 -0.069 0.000 0.738 378 L N 0.303 121.478 121.223 -0.080 0.000 2.123 378 L HA -0.240 4.093 4.340 -0.012 0.000 0.217 378 L C 2.049 178.908 176.870 -0.017 0.000 1.081 378 L CA 1.983 56.766 54.840 -0.094 0.000 0.772 378 L CB -1.118 40.855 42.059 -0.143 0.000 0.890 378 L HN 0.007 nan 8.230 nan 0.000 0.437 379 E N -1.797 118.402 120.200 -0.002 0.000 2.482 379 E HA -0.021 4.322 4.350 -0.012 0.000 0.196 379 E C 1.804 178.435 176.600 0.051 0.000 1.047 379 E CA 0.698 57.117 56.400 0.032 0.000 0.869 379 E CB 0.046 29.759 29.700 0.022 0.000 0.836 379 E HN 0.612 nan 8.360 nan 0.000 0.520 380 A N -0.219 122.626 122.820 0.041 0.000 2.085 380 A HA 0.409 4.722 4.320 -0.012 0.000 0.208 380 A C 2.046 179.677 177.584 0.079 0.000 1.191 380 A CA 0.659 52.729 52.037 0.055 0.000 0.799 380 A CB 0.002 19.023 19.000 0.035 0.000 0.877 380 A HN 0.306 nan 8.150 nan 0.000 0.473 381 A N 0.521 123.385 122.820 0.072 0.000 1.835 381 A HA 0.104 4.417 4.320 -0.012 0.000 0.213 381 A C 1.966 179.664 177.584 0.189 0.000 1.210 381 A CA 1.177 53.275 52.037 0.100 0.000 0.605 381 A CB -0.766 18.263 19.000 0.048 0.000 0.860 381 A HN 0.354 nan 8.150 nan 0.000 0.447 382 I N -0.406 120.285 120.570 0.202 0.000 2.113 382 I HA -0.384 3.779 4.170 -0.012 0.000 0.242 382 I C 2.745 179.111 176.117 0.415 0.000 1.057 382 I CA 2.261 63.773 61.300 0.354 0.000 1.314 382 I CB -0.343 37.834 38.000 0.297 0.000 1.022 382 I HN 0.436 nan 8.210 nan 0.000 0.408 383 R N 1.201 121.849 120.500 0.246 0.000 2.096 383 R HA -0.281 4.052 4.340 -0.012 0.000 0.240 383 R C 2.142 178.586 176.300 0.241 0.000 1.139 383 R CA 2.226 58.446 56.100 0.201 0.000 0.952 383 R CB -0.353 30.020 30.300 0.121 0.000 0.854 383 R HN 0.319 nan 8.270 nan 0.000 0.436 384 E N -0.533 119.798 120.200 0.218 0.000 2.110 384 E HA -0.201 4.142 4.350 -0.012 0.000 0.193 384 E C 1.493 178.242 176.600 0.249 0.000 0.988 384 E CA 1.381 57.898 56.400 0.196 0.000 0.804 384 E CB -0.409 29.387 29.700 0.159 0.000 0.745 384 E HN 0.466 nan 8.360 nan 0.000 0.458 385 F N -0.862 119.183 119.950 0.158 0.000 2.558 385 F HA 0.101 4.621 4.527 -0.012 0.000 0.298 385 F C 1.067 176.874 175.800 0.012 0.000 1.119 385 F CA 0.720 58.773 58.000 0.088 0.000 1.451 385 F CB -0.003 39.045 39.000 0.081 0.000 1.091 385 F HN 0.036 nan 8.300 nan 0.000 0.563 386 F N -0.663 119.253 119.950 -0.057 0.000 2.622 386 F HA 0.034 4.554 4.527 -0.012 0.000 0.288 386 F C 2.615 178.381 175.800 -0.056 0.000 1.120 386 F CA 0.932 58.850 58.000 -0.137 0.000 1.423 386 F CB -0.445 38.527 39.000 -0.046 0.000 1.127 386 F HN -0.023 nan 8.300 nan 0.000 0.588 387 S N -0.405 115.401 115.700 0.176 0.000 2.404 387 S HA 0.015 4.477 4.470 -0.012 0.000 0.223 387 S C 1.844 176.498 174.600 0.090 0.000 1.040 387 S CA 0.556 58.831 58.200 0.126 0.000 0.957 387 S CB -0.075 63.199 63.200 0.122 0.000 0.826 387 S HN 0.157 nan 8.310 nan 0.000 0.491 388 R N 1.376 121.922 120.500 0.078 0.000 2.316 388 R HA 0.380 4.713 4.340 -0.012 0.000 0.201 388 R C 0.596 176.925 176.300 0.048 0.000 0.888 388 R CA 0.317 56.459 56.100 0.069 0.000 1.041 388 R CB -0.137 30.210 30.300 0.079 0.000 1.115 388 R HN 0.385 nan 8.270 nan 0.000 0.559 389 S N 1.460 117.174 115.700 0.025 0.000 3.361 389 S HA -0.193 4.270 4.470 -0.012 0.000 0.396 389 S C 1.264 175.869 174.600 0.008 0.000 1.165 389 S CA 0.097 58.312 58.200 0.025 0.000 1.192 389 S CB 0.135 63.273 63.200 -0.103 0.000 0.843 389 S HN 0.429 nan 8.310 nan 0.000 0.528 390 Q N 3.492 123.322 119.800 0.050 0.000 2.182 390 Q HA -0.223 4.110 4.340 -0.012 0.000 0.213 390 Q C 1.490 177.511 176.000 0.035 0.000 1.000 390 Q CA 1.903 57.732 55.803 0.043 0.000 0.889 390 Q CB -0.216 28.553 28.738 0.052 0.000 0.932 390 Q HN 0.809 nan 8.270 nan 0.000 0.415 391 L N 0.586 121.836 121.223 0.046 0.000 2.762 391 L HA 0.154 4.486 4.340 -0.012 0.000 0.250 391 L C -0.566 176.290 176.870 -0.025 0.000 1.160 391 L CA 0.712 55.577 54.840 0.042 0.000 0.951 391 L CB -0.006 42.114 42.059 0.102 0.000 1.148 391 L HN 0.024 nan 8.230 nan 0.000 0.424 392 S N 0.105 115.775 115.700 -0.049 0.000 2.668 392 S HA 0.627 5.090 4.470 -0.012 0.000 0.277 392 S C -0.866 173.751 174.600 0.028 0.000 1.170 392 S CA -0.729 57.423 58.200 -0.080 0.000 0.994 392 S CB 0.737 63.782 63.200 -0.258 0.000 1.051 392 S HN 0.467 nan 8.310 nan 0.000 0.484 393 Q N 3.628 123.493 119.800 0.107 0.000 2.857 393 Q HA 0.482 4.815 4.340 -0.012 0.000 0.319 393 Q C -0.758 175.457 176.000 0.358 0.000 0.963 393 Q CA -0.868 55.069 55.803 0.224 0.000 0.770 393 Q CB 0.433 29.268 28.738 0.161 0.000 1.492 393 Q HN 0.571 nan 8.270 nan 0.000 0.493 394 F N 1.069 121.074 119.950 0.093 0.000 2.650 394 F HA -0.030 4.490 4.527 -0.012 0.000 0.355 394 F C 1.260 177.161 175.800 0.168 0.000 1.163 394 F CA 0.017 58.074 58.000 0.094 0.000 1.374 394 F CB 0.467 39.509 39.000 0.069 0.000 1.065 394 F HN 0.378 nan 8.300 nan 0.000 0.616 395 K N 3.037 123.594 120.400 0.262 0.000 2.220 395 K HA -0.026 4.287 4.320 -0.012 0.000 0.283 395 K C -0.416 176.326 176.600 0.236 0.000 1.098 395 K CA -0.526 55.888 56.287 0.211 0.000 0.928 395 K CB 0.029 32.551 32.500 0.037 0.000 1.214 395 K HN 0.412 nan 8.250 nan 0.000 0.442 396 D N 4.743 125.330 120.400 0.312 0.000 2.376 396 D HA -0.105 4.528 4.640 -0.012 0.000 0.278 396 D C -0.443 175.920 176.300 0.105 0.000 1.384 396 D CA 0.559 54.642 54.000 0.138 0.000 1.033 396 D CB 0.391 41.188 40.800 -0.005 0.000 1.102 396 D HN 0.708 nan 8.370 nan 0.000 0.530 397 E N 1.557 121.789 120.200 0.053 0.000 4.052 397 E HA 0.148 4.491 4.350 -0.012 0.000 0.219 397 E C 0.309 176.880 176.600 -0.049 0.000 1.166 397 E CA -0.505 55.899 56.400 0.006 0.000 1.338 397 E CB 0.177 29.875 29.700 -0.003 0.000 1.212 397 E HN 0.038 nan 8.360 nan 0.000 0.432 398 T N 1.190 115.705 114.554 -0.064 0.000 2.746 398 T HA -0.120 4.223 4.350 -0.012 0.000 0.267 398 T C 0.395 175.042 174.700 -0.088 0.000 1.039 398 T CA 1.949 63.959 62.100 -0.149 0.000 1.142 398 T CB -0.259 68.549 68.868 -0.099 0.000 0.866 398 T HN 0.667 nan 8.240 nan 0.000 0.444 399 N N -1.039 117.638 118.700 -0.039 0.000 2.484 399 N HA 0.335 5.068 4.740 -0.012 0.000 0.269 399 N C -2.919 172.583 175.510 -0.013 0.000 1.237 399 N CA -1.769 51.266 53.050 -0.025 0.000 0.838 399 N CB 1.282 39.764 38.487 -0.010 0.000 1.593 399 N HN -0.313 nan 8.380 nan 0.000 0.485 400 P HA -0.287 nan 4.420 nan 0.000 0.221 400 P C 1.512 178.810 177.300 -0.003 0.000 1.160 400 P CA 1.309 64.401 63.100 -0.013 0.000 0.933 400 P CB 0.111 31.804 31.700 -0.011 0.000 0.793 401 L N -0.610 120.615 121.223 0.004 0.000 2.021 401 L HA -0.247 4.086 4.340 -0.012 0.000 0.215 401 L C 2.110 178.987 176.870 0.012 0.000 1.074 401 L CA 2.268 57.112 54.840 0.006 0.000 0.760 401 L CB -1.457 40.610 42.059 0.013 0.000 0.889 401 L HN -0.075 nan 8.230 nan 0.000 0.433 402 S N -0.409 115.301 115.700 0.018 0.000 2.343 402 S HA -0.204 4.259 4.470 -0.012 0.000 0.219 402 S C 1.936 176.571 174.600 0.057 0.000 1.033 402 S CA 1.617 59.836 58.200 0.031 0.000 1.014 402 S CB -0.914 62.302 63.200 0.026 0.000 0.915 402 S HN 0.779 nan 8.310 nan 0.000 0.435 403 S N 1.377 117.103 115.700 0.043 0.000 2.537 403 S HA -0.003 4.460 4.470 -0.012 0.000 0.240 403 S C 1.581 176.192 174.600 0.019 0.000 0.981 403 S CA 0.734 58.961 58.200 0.044 0.000 0.948 403 S CB -0.341 62.860 63.200 0.001 0.000 0.759 403 S HN 0.337 nan 8.310 nan 0.000 0.531 404 L N 1.113 122.346 121.223 0.017 0.000 2.269 404 L HA 0.422 4.755 4.340 -0.012 0.000 0.200 404 L C 2.473 179.353 176.870 0.015 0.000 1.069 404 L CA 1.066 55.905 54.840 -0.002 0.000 0.804 404 L CB -0.665 41.387 42.059 -0.012 0.000 0.987 404 L HN 0.158 nan 8.230 nan 0.000 0.468 405 R N -1.466 119.055 120.500 0.035 0.000 2.148 405 R HA -0.178 4.155 4.340 -0.012 0.000 0.227 405 R C 2.281 178.636 176.300 0.092 0.000 1.103 405 R CA 1.458 57.583 56.100 0.042 0.000 0.983 405 R CB -0.350 29.969 30.300 0.031 0.000 0.874 405 R HN 0.652 nan 8.270 nan 0.000 0.451 406 H N 0.099 119.157 119.070 -0.020 0.000 2.261 406 H HA -0.109 4.440 4.556 -0.012 0.000 0.301 406 H C 1.786 177.092 175.328 -0.037 0.000 1.067 406 H CA 1.543 57.578 56.048 -0.021 0.000 1.297 406 H CB 0.229 29.980 29.762 -0.018 0.000 1.377 406 H HN -0.062 nan 8.280 nan 0.000 0.492 407 K N 0.328 120.713 120.400 -0.025 0.000 2.163 407 K HA -0.206 4.107 4.320 -0.012 0.000 0.210 407 K C 1.154 177.712 176.600 -0.070 0.000 1.048 407 K CA 2.100 58.301 56.287 -0.142 0.000 0.928 407 K CB -0.054 32.370 32.500 -0.127 0.000 0.716 407 K HN 0.485 nan 8.250 nan 0.000 0.459 408 R N -0.274 120.220 120.500 -0.011 0.000 3.311 408 R HA 0.294 4.627 4.340 -0.012 0.000 0.332 408 R C -0.313 176.001 176.300 0.024 0.000 1.317 408 R CA -0.394 55.706 56.100 -0.001 0.000 1.192 408 R CB 0.461 30.756 30.300 -0.008 0.000 1.454 408 R HN -0.126 nan 8.270 nan 0.000 0.605 409 R N 0.915 121.444 120.500 0.049 0.000 2.720 409 R HA 0.569 4.902 4.340 -0.012 0.000 0.272 409 R C -0.717 175.607 176.300 0.039 0.000 0.991 409 R CA -0.740 55.395 56.100 0.057 0.000 1.010 409 R CB 1.335 31.699 30.300 0.107 0.000 1.141 409 R HN 0.237 nan 8.270 nan 0.000 0.494 410 I N 0.539 121.124 120.570 0.024 0.000 2.545 410 I HA 0.281 4.444 4.170 -0.012 0.000 0.292 410 I C -0.514 175.614 176.117 0.019 0.000 1.040 410 I CA -0.586 60.722 61.300 0.014 0.000 1.068 410 I CB 2.170 40.163 38.000 -0.012 0.000 1.251 410 I HN 0.410 nan 8.210 nan 0.000 0.424 411 S N 3.034 118.751 115.700 0.027 0.000 2.526 411 S HA 0.707 5.170 4.470 -0.012 0.000 0.293 411 S C 0.516 175.137 174.600 0.035 0.000 1.092 411 S CA -0.087 58.133 58.200 0.032 0.000 0.980 411 S CB 1.932 65.157 63.200 0.042 0.000 1.048 411 S HN 0.737 nan 8.310 nan 0.000 0.483 412 A N 3.975 126.815 122.820 0.035 0.000 1.855 412 A HA 0.264 4.577 4.320 -0.012 0.000 0.213 412 A C 0.409 178.025 177.584 0.053 0.000 1.195 412 A CA 0.788 52.851 52.037 0.043 0.000 0.610 412 A CB -1.004 18.021 19.000 0.042 0.000 0.837 412 A HN 0.727 nan 8.150 nan 0.000 0.444 413 L N 0.003 121.253 121.223 0.045 0.000 2.601 413 L HA 0.396 4.729 4.340 -0.012 0.000 0.277 413 L C 1.051 177.956 176.870 0.060 0.000 1.219 413 L CA 1.015 55.882 54.840 0.046 0.000 0.915 413 L CB -0.361 41.719 42.059 0.034 0.000 1.160 413 L HN 0.427 nan 8.230 nan 0.000 0.494 414 G N 2.480 111.320 108.800 0.067 0.000 3.403 414 G HA2 0.195 4.148 3.960 -0.012 0.000 0.156 414 G HA3 0.195 4.148 3.960 -0.012 0.000 0.156 414 G C -1.873 173.079 174.900 0.088 0.000 1.210 414 G CA 0.027 45.179 45.100 0.087 0.000 1.452 414 G HN 0.404 nan 8.290 nan 0.000 0.720 415 P HA 0.106 nan 4.420 nan 0.000 0.216 415 P C 1.471 178.801 177.300 0.050 0.000 1.150 415 P CA 2.670 65.816 63.100 0.076 0.000 0.837 415 P CB 0.020 31.765 31.700 0.075 0.000 0.786 416 G N -2.363 106.462 108.800 0.041 0.000 2.258 416 G HA2 -0.227 3.726 3.960 -0.012 0.000 0.233 416 G HA3 -0.227 3.726 3.960 -0.012 0.000 0.233 416 G C 1.219 176.115 174.900 -0.005 0.000 1.006 416 G CA 0.128 45.238 45.100 0.017 0.000 0.620 416 G HN 0.549 nan 8.290 nan 0.000 0.511 417 G N -0.346 108.456 108.800 0.004 0.000 2.813 417 G HA2 0.455 4.408 3.960 -0.012 0.000 0.209 417 G HA3 0.455 4.408 3.960 -0.012 0.000 0.209 417 G C 0.341 175.235 174.900 -0.010 0.000 1.150 417 G CA 0.775 45.863 45.100 -0.020 0.000 0.785 417 G HN 0.552 nan 8.290 nan 0.000 0.535 418 L N 0.677 121.916 121.223 0.027 0.000 2.439 418 L HA 0.364 4.696 4.340 -0.012 0.000 0.270 418 L C 0.273 177.175 176.870 0.053 0.000 0.972 418 L CA -0.487 54.392 54.840 0.064 0.000 0.836 418 L CB 0.515 42.656 42.059 0.136 0.000 1.255 418 L HN 0.069 nan 8.230 nan 0.000 0.404 419 T N 3.623 118.202 114.554 0.042 0.000 0.659 419 T HA -0.191 4.152 4.350 -0.012 0.000 0.764 419 T C 1.260 175.976 174.700 0.026 0.000 0.992 419 T CA 0.736 62.856 62.100 0.032 0.000 4.027 419 T CB 0.050 68.947 68.868 0.048 0.000 2.265 419 T HN 0.786 nan 8.240 nan 0.000 0.391 420 R N 4.672 125.179 120.500 0.012 0.000 1.121 420 R HA 0.434 4.767 4.340 -0.012 0.000 0.083 420 R C 1.172 177.479 176.300 0.010 0.000 1.153 420 R CA 0.067 56.173 56.100 0.010 0.000 2.054 420 R CB -0.401 29.897 30.300 -0.002 0.000 0.854 420 R HN 0.626 nan 8.270 nan 0.000 0.703 421 E N -0.351 119.852 120.200 0.004 0.000 2.753 421 E HA 0.200 4.543 4.350 -0.012 0.000 0.218 421 E C 1.421 178.018 176.600 -0.005 0.000 0.956 421 E CA -0.030 56.370 56.400 0.001 0.000 1.244 421 E CB 0.843 30.543 29.700 -0.001 0.000 1.114 421 E HN 0.314 nan 8.360 nan 0.000 0.530 422 R N 0.420 120.918 120.500 -0.003 0.000 2.046 422 R HA 0.280 4.613 4.340 -0.012 0.000 0.223 422 R C 1.630 177.930 176.300 0.000 0.000 1.179 422 R CA 0.916 57.014 56.100 -0.004 0.000 0.952 422 R CB -0.380 29.919 30.300 -0.002 0.000 0.843 422 R HN -0.003 nan 8.270 nan 0.000 0.439 423 A N -0.084 122.742 122.820 0.011 0.000 2.199 423 A HA 0.331 4.644 4.320 -0.012 0.000 0.300 423 A C 1.206 178.808 177.584 0.031 0.000 1.308 423 A CA 0.939 52.993 52.037 0.028 0.000 0.886 423 A CB -0.754 18.264 19.000 0.031 0.000 1.139 423 A HN 0.548 nan 8.150 nan 0.000 0.513 424 G N -2.844 105.993 108.800 0.062 0.000 2.483 424 G HA2 -0.164 3.789 3.960 -0.012 0.000 0.196 424 G HA3 -0.164 3.789 3.960 -0.012 0.000 0.196 424 G C 1.078 176.069 174.900 0.151 0.000 2.335 424 G CA 0.573 45.716 45.100 0.072 0.000 1.576 424 G HN 0.938 nan 8.290 nan 0.000 0.499 425 F N 2.318 122.272 119.950 0.006 0.000 2.186 425 F HA -0.393 4.127 4.527 -0.012 0.000 0.272 425 F C 2.779 178.575 175.800 -0.006 0.000 1.109 425 F CA 3.032 61.032 58.000 0.000 0.000 1.419 425 F CB 0.035 39.033 39.000 -0.002 0.000 0.880 425 F HN 0.516 nan 8.300 nan 0.000 0.504 426 D N -0.120 120.396 120.400 0.194 0.000 2.234 426 D HA -0.088 4.545 4.640 -0.012 0.000 0.205 426 D C 1.582 177.915 176.300 0.054 0.000 0.962 426 D CA 1.547 55.577 54.000 0.049 0.000 0.855 426 D CB -0.683 40.111 40.800 -0.011 0.000 0.951 426 D HN 0.281 nan 8.370 nan 0.000 0.500 427 V N 0.334 120.301 119.914 0.089 0.000 3.380 427 V HA 0.051 4.164 4.120 -0.012 0.000 0.268 427 V C 2.374 178.532 176.094 0.108 0.000 1.168 427 V CA 0.648 63.004 62.300 0.092 0.000 1.156 427 V CB -0.756 31.118 31.823 0.085 0.000 0.785 427 V HN 0.089 nan 8.190 nan 0.000 0.487 428 R N -0.060 120.507 120.500 0.111 0.000 2.156 428 R HA 0.086 4.419 4.340 -0.012 0.000 0.207 428 R C 0.425 176.792 176.300 0.112 0.000 1.040 428 R CA 0.125 56.291 56.100 0.111 0.000 1.013 428 R CB -0.060 30.302 30.300 0.103 0.000 0.931 428 R HN 0.501 nan 8.270 nan 0.000 0.465 429 D N 1.318 121.765 120.400 0.079 0.000 2.406 429 D HA -0.065 4.568 4.640 -0.012 0.000 0.234 429 D C -0.162 176.143 176.300 0.008 0.000 1.196 429 D CA 0.380 54.392 54.000 0.020 0.000 0.881 429 D CB 1.159 41.917 40.800 -0.069 0.000 1.205 429 D HN -0.162 nan 8.370 nan 0.000 0.453 430 V N 1.664 121.555 119.914 -0.039 0.000 2.530 430 V HA 0.079 4.192 4.120 -0.012 0.000 0.282 430 V C -0.243 175.587 176.094 -0.440 0.000 1.048 430 V CA -0.179 62.039 62.300 -0.137 0.000 0.997 430 V CB 0.787 32.618 31.823 0.012 0.000 0.987 430 V HN 0.497 nan 8.190 nan 0.000 0.477 431 H N 5.559 123.921 119.070 -1.180 0.000 2.488 431 H HA 0.484 5.033 4.556 -0.012 0.000 0.347 431 H C 1.018 176.086 175.328 -0.432 0.000 1.174 431 H CA -0.976 54.667 56.048 -0.674 0.000 1.307 431 H CB 0.997 30.423 29.762 -0.560 0.000 1.517 431 H HN 0.622 nan 8.280 nan 0.000 0.554 432 R N 1.339 121.920 120.500 0.134 0.000 2.355 432 R HA -0.077 4.255 4.340 -0.012 0.000 0.219 432 R C 1.080 177.358 176.300 -0.037 0.000 1.107 432 R CA 1.054 57.166 56.100 0.021 0.000 1.021 432 R CB -0.901 29.420 30.300 0.036 0.000 0.852 432 R HN 0.614 nan 8.270 nan 0.000 0.475 433 T N -1.566 112.921 114.554 -0.111 0.000 3.034 433 T HA 0.073 4.416 4.350 -0.012 0.000 0.248 433 T C 1.380 176.178 174.700 0.163 0.000 1.040 433 T CA 0.128 62.184 62.100 -0.073 0.000 1.107 433 T CB -0.129 68.546 68.868 -0.322 0.000 0.932 433 T HN 0.481 nan 8.240 nan 0.000 0.474 434 H N -0.090 119.005 119.070 0.041 0.000 2.518 434 H HA -0.073 4.475 4.556 -0.012 0.000 0.294 434 H C 0.463 175.823 175.328 0.054 0.000 1.083 434 H CA 0.164 56.238 56.048 0.044 0.000 1.264 434 H CB -0.251 29.540 29.762 0.048 0.000 1.370 434 H HN 0.287 nan 8.280 nan 0.000 0.560 435 Y N 1.905 122.250 120.300 0.075 0.000 2.802 435 Y HA 0.018 4.561 4.550 -0.012 0.000 0.333 435 Y C 1.343 177.258 175.900 0.025 0.000 1.244 435 Y CA 0.529 58.635 58.100 0.009 0.000 1.558 435 Y CB -0.172 38.300 38.460 0.019 0.000 1.233 435 Y HN 0.367 nan 8.280 nan 0.000 0.547 436 G N 5.282 113.811 108.800 -0.451 0.000 2.187 436 G HA2 -0.344 3.609 3.960 -0.012 0.000 0.261 436 G HA3 -0.344 3.609 3.960 -0.012 0.000 0.261 436 G C 1.009 175.827 174.900 -0.137 0.000 1.000 436 G CA 0.889 45.761 45.100 -0.380 0.000 0.718 436 G HN 0.732 nan 8.290 nan 0.000 0.519 437 R N -1.473 118.996 120.500 -0.052 0.000 2.428 437 R HA 0.493 4.826 4.340 -0.012 0.000 0.193 437 R C 0.790 177.069 176.300 -0.034 0.000 0.852 437 R CA 0.389 56.484 56.100 -0.009 0.000 1.055 437 R CB 0.869 31.190 30.300 0.035 0.000 1.343 437 R HN 0.408 nan 8.270 nan 0.000 0.655 438 I N 0.225 120.770 120.570 -0.042 0.000 2.769 438 I HA 0.207 4.370 4.170 -0.012 0.000 0.298 438 I C -0.395 175.720 176.117 -0.003 0.000 1.128 438 I CA -1.079 60.178 61.300 -0.071 0.000 1.031 438 I CB 2.800 40.652 38.000 -0.247 0.000 1.235 438 I HN 0.101 nan 8.210 nan 0.000 0.423 439 C N 5.559 124.875 119.300 0.026 0.000 2.689 439 C HA 0.203 4.656 4.460 -0.012 0.000 0.409 439 C C -1.467 173.590 174.990 0.111 0.000 1.293 439 C CA -0.556 58.513 59.018 0.084 0.000 2.136 439 C CB 0.315 28.141 27.740 0.144 0.000 2.719 439 C HN 0.539 nan 8.230 nan 0.000 0.644 440 P HA 0.173 nan 4.420 nan 0.000 0.268 440 P C 0.454 177.863 177.300 0.181 0.000 1.329 440 P CA 0.360 63.548 63.100 0.146 0.000 0.899 440 P CB 0.322 32.072 31.700 0.083 0.000 1.378 441 V N -1.681 118.357 119.914 0.208 0.000 3.103 441 V HA 0.051 4.164 4.120 -0.012 0.000 0.229 441 V C 2.116 178.286 176.094 0.127 0.000 1.304 441 V CA 0.268 62.676 62.300 0.181 0.000 1.298 441 V CB -0.657 31.300 31.823 0.223 0.000 1.093 441 V HN -0.036 nan 8.190 nan 0.000 0.489 442 E N 0.973 121.245 120.200 0.121 0.000 2.164 442 E HA -0.213 4.129 4.350 -0.012 0.000 0.206 442 E C 0.700 177.335 176.600 0.058 0.000 1.032 442 E CA 1.725 58.172 56.400 0.079 0.000 0.832 442 E CB -0.236 29.505 29.700 0.068 0.000 0.742 442 E HN 0.586 nan 8.360 nan 0.000 0.460 443 T N 2.436 117.027 114.554 0.060 0.000 2.870 443 T HA -0.092 4.251 4.350 -0.012 0.000 0.311 443 T C -2.087 172.635 174.700 0.037 0.000 1.052 443 T CA -0.537 61.591 62.100 0.047 0.000 1.131 443 T CB 0.234 69.136 68.868 0.058 0.000 1.082 443 T HN 0.099 nan 8.240 nan 0.000 0.511 444 P HA 0.216 nan 4.420 nan 0.000 0.281 444 P C -0.392 176.918 177.300 0.016 0.000 1.274 444 P CA -0.216 62.892 63.100 0.014 0.000 0.794 444 P CB 0.467 32.170 31.700 0.004 0.000 1.201 445 E N -1.125 119.080 120.200 0.008 0.000 2.275 445 E HA 0.541 4.884 4.350 -0.012 0.000 0.270 445 E C -0.343 176.255 176.600 -0.004 0.000 0.882 445 E CA -0.454 55.950 56.400 0.007 0.000 0.758 445 E CB 0.968 30.674 29.700 0.009 0.000 1.195 445 E HN 0.653 nan 8.360 nan 0.000 0.419 446 G N 1.930 110.725 108.800 -0.009 0.000 2.337 446 G HA2 -0.079 3.874 3.960 -0.012 0.000 0.197 446 G HA3 -0.079 3.874 3.960 -0.012 0.000 0.197 446 G C 0.608 175.492 174.900 -0.026 0.000 1.238 446 G CA -0.073 45.016 45.100 -0.018 0.000 1.119 446 G HN 0.793 nan 8.290 nan 0.000 0.514 447 A N -0.473 122.329 122.820 -0.030 0.000 2.131 447 A HA 0.057 4.370 4.320 -0.012 0.000 0.220 447 A C 1.383 178.950 177.584 -0.028 0.000 1.158 447 A CA 2.031 54.047 52.037 -0.035 0.000 0.665 447 A CB -0.337 18.643 19.000 -0.032 0.000 0.795 447 A HN 0.586 nan 8.150 nan 0.000 0.460 448 N N 0.506 119.195 118.700 -0.019 0.000 2.839 448 N HA 0.312 5.045 4.740 -0.012 0.000 0.314 448 N C -0.775 174.735 175.510 -0.000 0.000 1.449 448 N CA -0.014 53.031 53.050 -0.009 0.000 1.050 448 N CB 0.292 38.775 38.487 -0.007 0.000 1.364 448 N HN 0.412 nan 8.380 nan 0.000 0.512 449 I N -0.810 119.760 120.570 -0.001 0.000 2.612 449 I HA 0.124 4.287 4.170 -0.012 0.000 0.295 449 I C 1.651 177.787 176.117 0.032 0.000 1.011 449 I CA -0.155 61.154 61.300 0.016 0.000 1.326 449 I CB 1.112 39.120 38.000 0.013 0.000 1.427 449 I HN 0.292 nan 8.210 nan 0.000 0.537 450 G N 4.328 113.157 108.800 0.049 0.000 2.391 450 G HA2 -0.330 3.623 3.960 -0.012 0.000 0.261 450 G HA3 -0.330 3.623 3.960 -0.012 0.000 0.261 450 G C 0.947 175.880 174.900 0.055 0.000 0.985 450 G CA 1.027 46.167 45.100 0.067 0.000 0.638 450 G HN 0.613 nan 8.290 nan 0.000 0.562 451 L N -0.740 120.507 121.223 0.039 0.000 2.109 451 L HA 0.214 4.547 4.340 -0.012 0.000 0.207 451 L C 1.041 177.927 176.870 0.027 0.000 1.086 451 L CA 0.611 55.471 54.840 0.034 0.000 0.760 451 L CB -0.200 41.874 42.059 0.026 0.000 0.910 451 L HN 0.198 nan 8.230 nan 0.000 0.437 452 I N -0.662 119.921 120.570 0.022 0.000 2.354 452 I HA 0.334 4.497 4.170 -0.012 0.000 0.292 452 I C 0.108 176.235 176.117 0.016 0.000 0.989 452 I CA 0.268 61.579 61.300 0.018 0.000 1.188 452 I CB 1.703 39.711 38.000 0.013 0.000 1.342 452 I HN -0.181 nan 8.210 nan 0.000 0.457 453 T N 3.402 117.960 114.554 0.008 0.000 2.816 453 T HA 0.722 5.065 4.350 -0.012 0.000 0.299 453 T C -1.081 173.619 174.700 -0.000 0.000 1.230 453 T CA -0.464 61.637 62.100 0.001 0.000 1.007 453 T CB 1.303 70.154 68.868 -0.028 0.000 1.289 453 T HN 0.470 nan 8.240 nan 0.000 0.508 454 S N 1.742 117.444 115.700 0.003 0.000 2.521 454 S HA 0.668 5.131 4.470 -0.012 0.000 0.295 454 S C -0.573 174.026 174.600 -0.002 0.000 1.098 454 S CA -0.786 57.419 58.200 0.008 0.000 0.999 454 S CB 1.081 64.294 63.200 0.022 0.000 1.034 454 S HN 0.812 nan 8.310 nan 0.000 0.483 455 L N 1.318 122.537 121.223 -0.007 0.000 2.468 455 L HA 0.904 5.237 4.340 -0.012 0.000 0.254 455 L C 0.598 177.468 176.870 0.001 0.000 1.171 455 L CA -0.708 54.124 54.840 -0.013 0.000 0.809 455 L CB -0.707 41.343 42.059 -0.014 0.000 1.155 455 L HN 0.652 nan 8.230 nan 0.000 0.473 456 A N 0.266 123.084 122.820 -0.003 0.000 2.429 456 A HA 0.540 4.853 4.320 -0.012 0.000 0.242 456 A C 1.511 179.093 177.584 -0.002 0.000 1.088 456 A CA 0.295 52.336 52.037 0.005 0.000 0.784 456 A CB -0.470 18.517 19.000 -0.022 0.000 1.038 456 A HN 1.298 nan 8.150 nan 0.000 0.501 457 A N -0.286 122.530 122.820 -0.006 0.000 1.877 457 A HA -0.064 4.249 4.320 -0.012 0.000 0.216 457 A C 1.801 179.277 177.584 -0.181 0.000 1.186 457 A CA 1.936 53.910 52.037 -0.106 0.000 0.620 457 A CB -0.858 18.053 19.000 -0.148 0.000 0.822 457 A HN 0.867 nan 8.150 nan 0.000 0.443 458 Y N -0.070 120.186 120.300 -0.072 0.000 2.475 458 Y HA 0.382 4.925 4.550 -0.012 0.000 0.289 458 Y C 1.805 177.685 175.900 -0.034 0.000 1.121 458 Y CA -0.177 57.876 58.100 -0.077 0.000 1.257 458 Y CB -0.412 37.938 38.460 -0.183 0.000 1.026 458 Y HN 0.342 nan 8.280 nan 0.000 0.555 459 A N 2.038 124.913 122.820 0.090 0.000 2.521 459 A HA 0.384 4.697 4.320 -0.012 0.000 0.237 459 A C 0.337 177.997 177.584 0.127 0.000 1.087 459 A CA 0.212 52.301 52.037 0.087 0.000 0.777 459 A CB 0.045 19.069 19.000 0.041 0.000 1.035 459 A HN 0.481 nan 8.150 nan 0.000 0.510 460 R N -0.640 119.951 120.500 0.151 0.000 2.858 460 R HA 0.357 4.690 4.340 -0.012 0.000 0.252 460 R C -2.109 174.264 176.300 0.121 0.000 1.063 460 R CA -0.917 55.261 56.100 0.130 0.000 0.955 460 R CB 0.391 30.783 30.300 0.153 0.000 1.259 460 R HN 0.346 nan 8.270 nan 0.000 0.477 461 V N 4.211 124.177 119.914 0.087 0.000 2.397 461 V HA -0.045 4.068 4.120 -0.012 0.000 0.262 461 V C 1.237 177.368 176.094 0.063 0.000 1.047 461 V CA 0.348 62.701 62.300 0.089 0.000 1.003 461 V CB 0.398 32.270 31.823 0.082 0.000 1.037 461 V HN 0.929 nan 8.190 nan 0.000 0.480 462 D N 4.540 124.978 120.400 0.064 0.000 2.174 462 D HA -0.198 4.435 4.640 -0.012 0.000 0.215 462 D C 1.253 177.542 176.300 -0.020 0.000 1.021 462 D CA 1.547 55.553 54.000 0.011 0.000 0.910 462 D CB 0.332 41.138 40.800 0.010 0.000 1.142 462 D HN 0.467 nan 8.370 nan 0.000 0.473 463 E N -1.383 118.788 120.200 -0.048 0.000 2.444 463 E HA 0.165 4.508 4.350 -0.012 0.000 0.203 463 E C 0.506 177.078 176.600 -0.046 0.000 0.847 463 E CA -0.149 56.213 56.400 -0.063 0.000 1.142 463 E CB 0.471 30.101 29.700 -0.117 0.000 1.125 463 E HN 0.205 nan 8.360 nan 0.000 0.521 464 L N 0.729 121.895 121.223 -0.095 0.000 2.839 464 L HA 0.431 4.764 4.340 -0.012 0.000 0.259 464 L C 0.097 177.018 176.870 0.086 0.000 1.369 464 L CA 0.336 55.144 54.840 -0.053 0.000 0.845 464 L CB 0.477 42.427 42.059 -0.181 0.000 1.181 464 L HN 0.233 nan 8.230 nan 0.000 0.529 465 G N 1.089 109.981 108.800 0.154 0.000 2.393 465 G HA2 -0.322 3.631 3.960 -0.012 0.000 0.299 465 G HA3 -0.322 3.631 3.960 -0.012 0.000 0.299 465 G C -0.231 174.954 174.900 0.474 0.000 0.990 465 G CA 0.409 45.654 45.100 0.242 0.000 1.118 465 G HN 0.288 nan 8.290 nan 0.000 0.513 466 F N 0.510 120.482 119.950 0.037 0.000 2.550 466 F HA 0.387 4.907 4.527 -0.012 0.000 0.348 466 F C 1.141 176.981 175.800 0.065 0.000 1.219 466 F CA -2.393 55.644 58.000 0.062 0.000 1.203 466 F CB 0.415 39.461 39.000 0.076 0.000 1.436 466 F HN 0.213 nan 8.300 nan 0.000 0.541 467 I N 3.394 124.066 120.570 0.169 0.000 3.298 467 I HA -0.236 3.927 4.170 -0.012 0.000 0.327 467 I C 0.956 177.166 176.117 0.155 0.000 1.247 467 I CA 1.002 62.378 61.300 0.126 0.000 1.416 467 I CB -0.124 37.911 38.000 0.059 0.000 1.360 467 I HN 0.463 nan 8.210 nan 0.000 0.507 468 R N 3.886 124.493 120.500 0.179 0.000 2.730 468 R HA 0.757 5.090 4.340 -0.012 0.000 0.228 468 R C -0.029 176.367 176.300 0.161 0.000 1.312 468 R CA -0.750 55.472 56.100 0.204 0.000 1.093 468 R CB 1.699 32.152 30.300 0.255 0.000 1.583 468 R HN 0.651 nan 8.270 nan 0.000 0.535 469 T N 0.268 114.893 114.554 0.118 0.000 3.012 469 T HA 0.305 4.648 4.350 -0.012 0.000 0.330 469 T C -2.920 171.541 174.700 -0.400 0.000 1.321 469 T CA -1.735 60.289 62.100 -0.127 0.000 1.067 469 T CB 1.810 70.582 68.868 -0.160 0.000 1.235 469 T HN 0.148 nan 8.240 nan 0.000 0.479 470 P HA 0.218 nan 4.420 nan 0.000 0.257 470 P C -1.431 175.492 177.300 -0.628 0.000 1.189 470 P CA 0.424 62.936 63.100 -0.980 0.000 0.780 470 P CB -0.417 30.718 31.700 -0.941 0.000 0.772 471 Y N 3.108 123.273 120.300 -0.225 0.000 2.391 471 Y HA 0.392 4.935 4.550 -0.012 0.000 0.341 471 Y C 0.954 176.907 175.900 0.089 0.000 0.965 471 Y CA -0.908 57.152 58.100 -0.066 0.000 1.067 471 Y CB 2.050 40.443 38.460 -0.111 0.000 1.199 471 Y HN 0.251 nan 8.280 nan 0.000 0.450 472 R N 2.161 122.842 120.500 0.301 0.000 2.668 472 R HA 0.725 5.058 4.340 -0.012 0.000 0.279 472 R C -0.888 175.593 176.300 0.301 0.000 0.976 472 R CA -1.219 55.034 56.100 0.256 0.000 0.978 472 R CB 1.813 32.177 30.300 0.105 0.000 1.133 472 R HN 0.588 nan 8.270 nan 0.000 0.484 473 R N 0.707 121.269 120.500 0.103 0.000 2.500 473 R HA 0.382 4.715 4.340 -0.012 0.000 0.275 473 R C -1.147 175.036 176.300 -0.194 0.000 1.051 473 R CA -0.525 55.432 56.100 -0.239 0.000 1.088 473 R CB 1.482 31.630 30.300 -0.253 0.000 1.063 473 R HN 0.485 nan 8.270 nan 0.000 0.511 474 V N 5.436 125.170 119.914 -0.300 0.000 2.532 474 V HA 0.333 4.446 4.120 -0.012 0.000 0.294 474 V C -1.334 174.655 176.094 -0.175 0.000 1.036 474 V CA -0.655 61.545 62.300 -0.166 0.000 0.876 474 V CB 1.967 33.734 31.823 -0.094 0.000 1.012 474 V HN 0.570 nan 8.190 nan 0.000 0.432 475 V N 7.164 127.004 119.914 -0.123 0.000 2.368 475 V HA 0.788 4.901 4.120 -0.012 0.000 0.266 475 V C 1.451 177.506 176.094 -0.064 0.000 1.045 475 V CA 0.618 62.859 62.300 -0.099 0.000 0.899 475 V CB -0.209 31.569 31.823 -0.076 0.000 1.006 475 V HN 1.598 nan 8.190 nan 0.000 0.470 476 G N 5.170 113.935 108.800 -0.058 0.000 2.614 476 G HA2 -0.249 3.704 3.960 -0.012 0.000 0.303 476 G HA3 -0.249 3.704 3.960 -0.012 0.000 0.303 476 G C 1.081 175.963 174.900 -0.029 0.000 1.270 476 G CA 0.647 45.727 45.100 -0.035 0.000 0.988 476 G HN 1.318 nan 8.290 nan 0.000 0.551 477 G N -0.337 108.451 108.800 -0.019 0.000 2.418 477 G HA2 0.202 4.154 3.960 -0.012 0.000 0.217 477 G HA3 0.202 4.154 3.960 -0.012 0.000 0.217 477 G C 1.098 175.989 174.900 -0.016 0.000 1.158 477 G CA 1.709 46.801 45.100 -0.012 0.000 0.771 477 G HN 1.568 nan 8.290 nan 0.000 0.545 478 V N 0.988 120.890 119.914 -0.021 0.000 2.584 478 V HA 0.176 4.289 4.120 -0.012 0.000 0.303 478 V C 0.176 176.251 176.094 -0.031 0.000 1.035 478 V CA -0.188 62.098 62.300 -0.023 0.000 1.172 478 V CB 1.164 32.971 31.823 -0.026 0.000 0.896 478 V HN -0.005 nan 8.190 nan 0.000 0.486 479 V N 5.226 125.128 119.914 -0.020 0.000 2.334 479 V HA 0.255 4.368 4.120 -0.012 0.000 0.281 479 V C 0.649 176.735 176.094 -0.014 0.000 1.016 479 V CA -0.394 61.895 62.300 -0.019 0.000 0.832 479 V CB 1.495 33.317 31.823 -0.001 0.000 0.999 479 V HN 1.084 nan 8.190 nan 0.000 0.439 480 T N 2.952 117.492 114.554 -0.024 0.000 2.595 480 T HA -0.006 4.337 4.350 -0.012 0.000 0.339 480 T C 0.684 175.390 174.700 0.010 0.000 1.059 480 T CA 0.232 62.325 62.100 -0.010 0.000 1.035 480 T CB 0.553 69.412 68.868 -0.015 0.000 1.003 480 T HN 0.775 nan 8.240 nan 0.000 0.540 481 D N -1.197 119.214 120.400 0.018 0.000 2.514 481 D HA 0.095 4.728 4.640 -0.012 0.000 0.225 481 D C 0.209 176.533 176.300 0.040 0.000 1.159 481 D CA -0.195 53.820 54.000 0.025 0.000 0.823 481 D CB 0.342 41.155 40.800 0.022 0.000 1.097 481 D HN 0.445 nan 8.370 nan 0.000 0.519 482 E N 0.934 121.161 120.200 0.044 0.000 2.354 482 E HA 0.226 4.569 4.350 -0.012 0.000 0.269 482 E C -0.815 175.845 176.600 0.101 0.000 1.036 482 E CA -0.080 56.359 56.400 0.066 0.000 0.876 482 E CB 1.332 31.064 29.700 0.054 0.000 1.009 482 E HN -0.168 nan 8.360 nan 0.000 0.416 483 V N 3.660 123.655 119.914 0.136 0.000 2.628 483 V HA 0.332 4.445 4.120 -0.012 0.000 0.306 483 V C -0.166 176.083 176.094 0.259 0.000 1.045 483 V CA -0.891 61.522 62.300 0.187 0.000 0.905 483 V CB 1.986 33.920 31.823 0.185 0.000 0.997 483 V HN 0.495 nan 8.190 nan 0.000 0.436 484 V N 4.415 124.498 119.914 0.282 0.000 2.320 484 V HA 0.300 4.413 4.120 -0.012 0.000 0.268 484 V C -0.869 175.411 176.094 0.310 0.000 1.021 484 V CA -0.697 61.772 62.300 0.282 0.000 0.813 484 V CB 0.428 32.390 31.823 0.232 0.000 1.054 484 V HN 0.748 nan 8.190 nan 0.000 0.444 485 Y N 4.264 124.618 120.300 0.089 0.000 2.815 485 Y HA 0.094 4.637 4.550 -0.012 0.000 0.346 485 Y C 0.654 176.612 175.900 0.098 0.000 1.267 485 Y CA 0.450 58.608 58.100 0.096 0.000 1.604 485 Y CB -0.231 38.273 38.460 0.072 0.000 1.218 485 Y HN 0.478 nan 8.280 nan 0.000 0.527 486 M N 2.381 122.126 119.600 0.242 0.000 2.363 486 M HA 0.295 4.768 4.480 -0.012 0.000 0.343 486 M C 0.442 176.854 176.300 0.187 0.000 1.165 486 M CA -0.401 54.995 55.300 0.160 0.000 1.046 486 M CB 1.327 33.933 32.600 0.011 0.000 1.648 486 M HN 0.507 nan 8.290 nan 0.000 0.452 487 T N 1.374 116.040 114.554 0.186 0.000 2.766 487 T HA 0.233 4.576 4.350 -0.012 0.000 0.295 487 T C 1.221 176.046 174.700 0.207 0.000 1.024 487 T CA 0.026 62.269 62.100 0.239 0.000 1.018 487 T CB 1.161 70.220 68.868 0.317 0.000 1.002 487 T HN 0.798 nan 8.240 nan 0.000 0.532 488 A N 1.848 124.801 122.820 0.221 0.000 1.837 488 A HA -0.144 4.169 4.320 -0.012 0.000 0.216 488 A C 2.467 180.149 177.584 0.165 0.000 1.210 488 A CA 2.478 54.648 52.037 0.222 0.000 0.632 488 A CB -1.703 17.452 19.000 0.259 0.000 0.843 488 A HN 0.862 nan 8.150 nan 0.000 0.448 489 T N -0.181 114.415 114.554 0.069 0.000 2.564 489 T HA -0.245 4.098 4.350 -0.012 0.000 0.264 489 T C 1.530 176.220 174.700 -0.017 0.000 1.100 489 T CA 1.808 63.874 62.100 -0.057 0.000 1.171 489 T CB -0.459 68.406 68.868 -0.005 0.000 0.863 489 T HN 0.665 nan 8.240 nan 0.000 0.430 490 E N 0.966 121.212 120.200 0.077 0.000 2.357 490 E HA -0.049 4.294 4.350 -0.012 0.000 0.194 490 E C 1.678 178.280 176.600 0.004 0.000 1.177 490 E CA 0.096 56.529 56.400 0.055 0.000 0.998 490 E CB 0.036 29.842 29.700 0.176 0.000 1.106 490 E HN 0.669 nan 8.360 nan 0.000 0.470 491 E N -0.175 119.987 120.200 -0.063 0.000 2.192 491 E HA -0.082 4.261 4.350 -0.012 0.000 0.196 491 E C 0.964 177.420 176.600 -0.240 0.000 0.922 491 E CA 0.670 56.994 56.400 -0.127 0.000 0.924 491 E CB 0.102 29.760 29.700 -0.069 0.000 0.911 491 E HN 0.162 nan 8.360 nan 0.000 0.478 492 D N 0.981 121.297 120.400 -0.140 0.000 2.276 492 D HA -0.227 4.406 4.640 -0.012 0.000 0.200 492 D C 1.700 177.832 176.300 -0.279 0.000 1.004 492 D CA 1.173 55.097 54.000 -0.127 0.000 0.898 492 D CB -0.201 40.573 40.800 -0.043 0.000 0.906 492 D HN 0.153 nan 8.370 nan 0.000 0.457 493 R N -0.856 119.316 120.500 -0.546 0.000 2.211 493 R HA -0.091 4.242 4.340 -0.012 0.000 0.240 493 R C 0.066 175.771 176.300 -0.991 0.000 1.144 493 R CA 0.870 56.430 56.100 -0.899 0.000 0.992 493 R CB -0.073 29.372 30.300 -1.425 0.000 0.869 493 R HN 0.392 nan 8.270 nan 0.000 0.462 494 Y N -2.422 117.886 120.300 0.012 0.000 2.662 494 Y HA 0.315 4.858 4.550 -0.012 0.000 0.335 494 Y C 0.204 176.139 175.900 0.058 0.000 1.066 494 Y CA -1.348 56.800 58.100 0.080 0.000 1.116 494 Y CB 1.179 39.779 38.460 0.234 0.000 1.308 494 Y HN -0.391 nan 8.280 nan 0.000 0.502 495 T N 3.245 117.960 114.554 0.267 0.000 3.145 495 T HA 0.430 4.773 4.350 -0.012 0.000 0.348 495 T C -0.149 174.664 174.700 0.187 0.000 1.299 495 T CA -0.363 61.832 62.100 0.159 0.000 1.037 495 T CB -1.025 67.913 68.868 0.116 0.000 1.122 495 T HN 0.273 nan 8.240 nan 0.000 0.600 496 I N 2.341 123.011 120.570 0.166 0.000 2.529 496 I HA 0.497 4.660 4.170 -0.012 0.000 0.284 496 I C 0.767 176.986 176.117 0.169 0.000 1.082 496 I CA -0.727 60.690 61.300 0.196 0.000 1.406 496 I CB 0.709 38.779 38.000 0.118 0.000 1.405 496 I HN 0.441 nan 8.210 nan 0.000 0.548 497 A N 6.096 129.029 122.820 0.188 0.000 2.320 497 A HA 0.492 4.805 4.320 -0.012 0.000 0.334 497 A C -0.209 177.473 177.584 0.163 0.000 1.147 497 A CA -0.688 51.431 52.037 0.137 0.000 0.820 497 A CB 1.095 20.158 19.000 0.104 0.000 1.218 497 A HN 0.659 nan 8.150 nan 0.000 0.482 498 Q N 0.035 119.909 119.800 0.122 0.000 2.492 498 Q HA 0.298 4.631 4.340 -0.012 0.000 0.238 498 Q C 1.375 177.446 176.000 0.119 0.000 1.045 498 Q CA 0.587 56.473 55.803 0.138 0.000 0.934 498 Q CB 1.037 29.833 28.738 0.096 0.000 1.276 498 Q HN 0.843 nan 8.270 nan 0.000 0.521 499 A N 2.174 125.067 122.820 0.122 0.000 1.968 499 A HA -0.117 4.196 4.320 -0.012 0.000 0.217 499 A C 0.823 178.457 177.584 0.083 0.000 1.169 499 A CA 1.011 53.101 52.037 0.088 0.000 0.638 499 A CB -0.232 18.811 19.000 0.072 0.000 0.812 499 A HN 0.758 nan 8.150 nan 0.000 0.446 500 N N 1.581 120.338 118.700 0.094 0.000 3.052 500 N HA 0.020 4.753 4.740 -0.012 0.000 0.302 500 N C -0.558 174.987 175.510 0.058 0.000 1.332 500 N CA 0.602 53.700 53.050 0.081 0.000 1.129 500 N CB -0.433 38.107 38.487 0.087 0.000 1.436 500 N HN 0.298 nan 8.380 nan 0.000 0.536 501 T N -2.034 112.553 114.554 0.055 0.000 2.801 501 T HA 0.371 4.714 4.350 -0.012 0.000 0.306 501 T C -2.704 172.019 174.700 0.039 0.000 1.020 501 T CA -2.021 60.105 62.100 0.044 0.000 0.948 501 T CB 1.176 70.072 68.868 0.047 0.000 0.962 501 T HN -0.044 nan 8.240 nan 0.000 0.465 502 P HA -0.036 nan 4.420 nan 0.000 0.261 502 P C -0.594 176.723 177.300 0.030 0.000 1.140 502 P CA 0.001 63.120 63.100 0.032 0.000 0.757 502 P CB 0.263 31.979 31.700 0.027 0.000 0.735 503 L N 2.966 124.207 121.223 0.030 0.000 2.319 503 L HA 0.359 4.692 4.340 -0.012 0.000 0.267 503 L C 0.876 177.760 176.870 0.023 0.000 1.011 503 L CA -0.128 54.728 54.840 0.026 0.000 0.818 503 L CB 1.956 44.031 42.059 0.028 0.000 1.316 503 L HN 0.452 nan 8.230 nan 0.000 0.432 504 E N 0.081 120.293 120.200 0.019 0.000 2.968 504 E HA 0.348 4.691 4.350 -0.012 0.000 0.202 504 E C 0.648 177.257 176.600 0.015 0.000 0.979 504 E CA 0.636 57.046 56.400 0.017 0.000 1.192 504 E CB 0.389 30.097 29.700 0.014 0.000 1.059 504 E HN 0.951 nan 8.360 nan 0.000 0.470 505 G N 1.574 110.384 108.800 0.016 0.000 3.102 505 G HA2 -0.218 3.735 3.960 -0.012 0.000 0.200 505 G HA3 -0.218 3.735 3.960 -0.012 0.000 0.200 505 G C 0.667 175.575 174.900 0.013 0.000 1.685 505 G CA 0.129 45.238 45.100 0.015 0.000 1.299 505 G HN 0.256 nan 8.290 nan 0.000 0.576 506 N N 0.391 119.096 118.700 0.009 0.000 2.039 506 N HA 0.195 4.928 4.740 -0.012 0.000 0.228 506 N C -0.049 175.464 175.510 0.004 0.000 1.369 506 N CA -0.038 53.015 53.050 0.006 0.000 0.806 506 N CB 1.069 39.557 38.487 0.002 0.000 1.190 506 N HN 0.433 nan 8.380 nan 0.000 0.506 507 R N 1.128 121.632 120.500 0.007 0.000 2.393 507 R HA 0.418 4.751 4.340 -0.012 0.000 0.315 507 R C 0.168 176.474 176.300 0.011 0.000 0.952 507 R CA -0.689 55.414 56.100 0.006 0.000 0.842 507 R CB 1.848 32.151 30.300 0.005 0.000 1.163 507 R HN -0.079 nan 8.270 nan 0.000 0.450 508 I N 1.735 122.311 120.570 0.011 0.000 3.045 508 I HA -0.071 4.092 4.170 -0.012 0.000 0.288 508 I C 1.122 177.247 176.117 0.014 0.000 1.238 508 I CA 0.547 61.856 61.300 0.015 0.000 1.396 508 I CB 0.323 38.332 38.000 0.015 0.000 1.355 508 I HN 0.734 nan 8.210 nan 0.000 0.601 509 A N 3.677 126.507 122.820 0.017 0.000 2.855 509 A HA 0.718 5.031 4.320 -0.012 0.000 0.301 509 A C 0.150 177.742 177.584 0.014 0.000 1.076 509 A CA 0.062 52.108 52.037 0.015 0.000 1.004 509 A CB -0.025 18.985 19.000 0.017 0.000 1.152 509 A HN 0.952 nan 8.150 nan 0.000 0.531 510 A N -0.327 122.501 122.820 0.013 0.000 2.547 510 A HA 0.530 4.843 4.320 -0.012 0.000 0.300 510 A C 0.497 178.087 177.584 0.010 0.000 1.061 510 A CA -0.375 51.668 52.037 0.011 0.000 0.808 510 A CB 0.523 19.531 19.000 0.012 0.000 1.304 510 A HN 0.074 nan 8.150 nan 0.000 0.393 511 E N 0.892 121.097 120.200 0.008 0.000 2.169 511 E HA -0.193 4.150 4.350 -0.012 0.000 0.202 511 E C 0.313 176.917 176.600 0.007 0.000 1.016 511 E CA 1.303 57.707 56.400 0.007 0.000 0.817 511 E CB -0.034 29.669 29.700 0.005 0.000 0.736 511 E HN 0.497 nan 8.360 nan 0.000 0.462 512 R N -0.094 120.410 120.500 0.007 0.000 2.589 512 R HA 0.560 4.892 4.340 -0.012 0.000 0.293 512 R C -0.449 175.856 176.300 0.009 0.000 0.963 512 R CA -0.868 55.236 56.100 0.007 0.000 0.905 512 R CB 2.062 32.365 30.300 0.004 0.000 1.144 512 R HN -0.183 nan 8.270 nan 0.000 0.459 513 V N 2.269 122.190 119.914 0.011 0.000 2.817 513 V HA 0.184 4.297 4.120 -0.012 0.000 0.303 513 V C -0.399 175.705 176.094 0.016 0.000 1.151 513 V CA -1.097 61.213 62.300 0.016 0.000 0.929 513 V CB 2.596 34.432 31.823 0.022 0.000 1.030 513 V HN 0.565 nan 8.190 nan 0.000 0.427 514 V N 2.112 122.034 119.914 0.013 0.000 2.479 514 V HA 0.873 4.986 4.120 -0.012 0.000 0.281 514 V C 0.445 176.551 176.094 0.020 0.000 1.031 514 V CA 0.225 62.529 62.300 0.007 0.000 1.038 514 V CB 0.426 32.245 31.823 -0.006 0.000 0.981 514 V HN 1.178 nan 8.190 nan 0.000 0.478 515 A N 5.415 128.246 122.820 0.017 0.000 2.485 515 A HA 1.002 5.315 4.320 -0.012 0.000 0.292 515 A C -0.447 177.140 177.584 0.006 0.000 1.147 515 A CA -1.177 50.881 52.037 0.035 0.000 0.750 515 A CB 1.833 20.864 19.000 0.052 0.000 1.331 515 A HN 0.742 nan 8.150 nan 0.000 0.419 516 R N 1.362 121.868 120.500 0.010 0.000 2.409 516 R HA 0.424 4.757 4.340 -0.012 0.000 0.313 516 R C -1.147 175.149 176.300 -0.007 0.000 0.953 516 R CA -0.524 55.558 56.100 -0.031 0.000 0.849 516 R CB 1.276 31.516 30.300 -0.100 0.000 1.171 516 R HN 0.683 nan 8.270 nan 0.000 0.458 517 R N 2.801 123.293 120.500 -0.012 0.000 2.229 517 R HA 0.150 4.483 4.340 -0.012 0.000 0.332 517 R C -0.085 176.205 176.300 -0.016 0.000 0.989 517 R CA -0.800 55.297 56.100 -0.006 0.000 0.842 517 R CB 1.235 31.535 30.300 -0.001 0.000 1.119 517 R HN 0.561 nan 8.270 nan 0.000 0.456 518 K N 0.721 121.112 120.400 -0.015 0.000 4.753 518 K HA -0.255 4.058 4.320 -0.012 0.000 0.281 518 K C 0.536 177.130 176.600 -0.009 0.000 0.743 518 K CA 0.900 57.188 56.287 0.001 0.000 0.788 518 K CB -1.768 30.743 32.500 0.019 0.000 1.953 518 K HN 1.000 nan 8.250 nan 0.000 0.400 519 G N 0.835 109.616 108.800 -0.030 0.000 2.341 519 G HA2 -0.297 3.656 3.960 -0.012 0.000 0.292 519 G HA3 -0.297 3.656 3.960 -0.012 0.000 0.292 519 G C -0.512 174.354 174.900 -0.057 0.000 1.021 519 G CA 0.485 45.553 45.100 -0.054 0.000 0.905 519 G HN 0.673 nan 8.290 nan 0.000 0.508 520 E N -0.144 120.022 120.200 -0.056 0.000 2.373 520 E HA 0.288 4.631 4.350 -0.012 0.000 0.251 520 E C -2.651 173.916 176.600 -0.055 0.000 0.923 520 E CA -1.936 54.434 56.400 -0.050 0.000 0.798 520 E CB 1.858 31.539 29.700 -0.032 0.000 1.303 520 E HN 0.089 nan 8.360 nan 0.000 0.412 521 P HA -0.005 nan 4.420 nan 0.000 0.259 521 P C -0.640 176.634 177.300 -0.044 0.000 1.211 521 P CA 0.230 63.289 63.100 -0.068 0.000 0.810 521 P CB 0.425 32.081 31.700 -0.073 0.000 0.815 522 V N 5.231 125.125 119.914 -0.033 0.000 2.876 522 V HA 0.378 4.491 4.120 -0.012 0.000 0.312 522 V C 0.123 176.210 176.094 -0.012 0.000 1.085 522 V CA -0.969 61.319 62.300 -0.019 0.000 0.945 522 V CB 2.715 34.532 31.823 -0.011 0.000 1.017 522 V HN 0.425 nan 8.190 nan 0.000 0.428 523 I N 4.439 125.003 120.570 -0.009 0.000 2.301 523 I HA 0.610 4.772 4.170 -0.012 0.000 0.292 523 I C -0.689 175.428 176.117 0.002 0.000 1.046 523 I CA 0.220 61.517 61.300 -0.004 0.000 1.282 523 I CB 1.025 39.021 38.000 -0.007 0.000 1.409 523 I HN 0.485 nan 8.210 nan 0.000 0.484 524 V N 6.441 126.359 119.914 0.008 0.000 3.240 524 V HA 0.599 4.712 4.120 -0.012 0.000 0.306 524 V C -0.082 176.019 176.094 0.012 0.000 1.227 524 V CA -0.231 62.076 62.300 0.012 0.000 1.047 524 V CB 2.596 34.430 31.823 0.019 0.000 1.203 524 V HN 0.885 nan 8.190 nan 0.000 0.471 525 S N 0.967 116.675 115.700 0.013 0.000 2.475 525 S HA 0.546 5.009 4.470 -0.012 0.000 0.298 525 S C -2.127 172.481 174.600 0.013 0.000 1.119 525 S CA -1.148 57.059 58.200 0.011 0.000 1.085 525 S CB 1.467 64.672 63.200 0.009 0.000 1.028 525 S HN 0.503 nan 8.310 nan 0.000 0.489 526 P HA -0.221 nan 4.420 nan 0.000 0.216 526 P C 0.974 178.276 177.300 0.004 0.000 1.167 526 P CA 1.814 64.920 63.100 0.009 0.000 0.914 526 P CB -0.113 31.591 31.700 0.007 0.000 0.793 527 E N -0.544 119.658 120.200 0.002 0.000 2.333 527 E HA -0.215 4.128 4.350 -0.012 0.000 0.200 527 E C 1.850 178.450 176.600 0.000 0.000 1.010 527 E CA 0.909 57.308 56.400 -0.002 0.000 0.841 527 E CB -0.561 29.138 29.700 -0.001 0.000 0.757 527 E HN 0.473 nan 8.360 nan 0.000 0.508 528 E N 0.605 120.811 120.200 0.009 0.000 2.122 528 E HA -0.022 4.321 4.350 -0.012 0.000 0.190 528 E C 0.239 176.854 176.600 0.024 0.000 0.977 528 E CA 0.157 56.568 56.400 0.019 0.000 0.820 528 E CB 0.321 30.035 29.700 0.024 0.000 0.770 528 E HN 0.050 nan 8.360 nan 0.000 0.462 529 V N 3.267 123.193 119.914 0.021 0.000 2.539 529 V HA -0.145 3.968 4.120 -0.012 0.000 0.294 529 V C 1.098 177.184 176.094 -0.014 0.000 0.994 529 V CA 1.027 63.343 62.300 0.027 0.000 1.169 529 V CB -0.029 31.808 31.823 0.024 0.000 0.898 529 V HN 0.246 nan 8.190 nan 0.000 0.471 530 E N 3.561 123.762 120.200 0.003 0.000 2.201 530 E HA 0.214 4.557 4.350 -0.012 0.000 0.193 530 E C -0.286 176.056 176.600 -0.429 0.000 0.957 530 E CA 0.574 56.880 56.400 -0.157 0.000 0.858 530 E CB 0.450 30.153 29.700 0.005 0.000 0.816 530 E HN 0.591 nan 8.360 nan 0.000 0.475 531 F N 0.106 120.071 119.950 0.025 0.000 2.599 531 F HA 0.488 5.008 4.527 -0.012 0.000 0.311 531 F C -0.224 175.643 175.800 0.111 0.000 1.076 531 F CA -0.962 57.067 58.000 0.049 0.000 0.937 531 F CB 2.123 41.134 39.000 0.018 0.000 1.282 531 F HN -0.180 nan 8.300 nan 0.000 0.460 532 M N 0.845 120.656 119.600 0.352 0.000 2.761 532 M HA 0.485 4.958 4.480 -0.012 0.000 0.305 532 M C -1.747 174.735 176.300 0.303 0.000 1.235 532 M CA -0.742 54.717 55.300 0.266 0.000 0.850 532 M CB 1.968 34.654 32.600 0.142 0.000 1.744 532 M HN 0.519 nan 8.290 nan 0.000 0.480 533 D N 1.214 121.729 120.400 0.191 0.000 2.264 533 D HA 0.218 4.851 4.640 -0.012 0.000 0.250 533 D C 1.042 177.284 176.300 -0.097 0.000 1.113 533 D CA -0.266 53.743 54.000 0.014 0.000 0.871 533 D CB 1.642 42.490 40.800 0.079 0.000 1.167 533 D HN 0.324 nan 8.370 nan 0.000 0.447 534 V N 1.534 121.284 119.914 -0.273 0.000 2.282 534 V HA -0.158 3.955 4.120 -0.012 0.000 0.249 534 V C 1.009 176.955 176.094 -0.246 0.000 1.057 534 V CA 2.068 64.183 62.300 -0.307 0.000 1.032 534 V CB -0.721 30.753 31.823 -0.583 0.000 0.645 534 V HN 0.826 nan 8.190 nan 0.000 0.447 535 S N -4.179 111.365 115.700 -0.259 0.000 2.633 535 S HA 0.305 4.768 4.470 -0.012 0.000 0.271 535 S C -2.720 171.855 174.600 -0.042 0.000 1.112 535 S CA -0.463 57.674 58.200 -0.106 0.000 0.828 535 S CB 1.080 64.228 63.200 -0.086 0.000 1.086 535 S HN -0.051 nan 8.310 nan 0.000 0.461 536 P HA -0.036 nan 4.420 nan 0.000 0.215 536 P C 1.026 178.400 177.300 0.123 0.000 1.157 536 P CA 1.626 64.832 63.100 0.178 0.000 0.868 536 P CB -0.132 31.677 31.700 0.181 0.000 0.788 537 K N 0.090 120.552 120.400 0.103 0.000 2.163 537 K HA -0.275 4.038 4.320 -0.012 0.000 0.210 537 K C 2.233 178.970 176.600 0.228 0.000 1.048 537 K CA 2.125 58.516 56.287 0.173 0.000 0.928 537 K CB -0.724 31.949 32.500 0.288 0.000 0.716 537 K HN 0.441 nan 8.250 nan 0.000 0.459 538 Q N 0.277 120.170 119.800 0.155 0.000 2.224 538 Q HA -0.087 4.245 4.340 -0.012 0.000 0.203 538 Q C 1.788 177.696 176.000 -0.154 0.000 0.970 538 Q CA 1.385 57.218 55.803 0.050 0.000 0.865 538 Q CB -0.153 28.403 28.738 -0.303 0.000 0.922 538 Q HN 0.110 nan 8.270 nan 0.000 0.445 539 V N 0.352 120.133 119.914 -0.222 0.000 2.358 539 V HA -0.097 4.016 4.120 -0.012 0.000 0.246 539 V C 0.800 176.665 176.094 -0.381 0.000 1.047 539 V CA 1.257 63.288 62.300 -0.448 0.000 1.035 539 V CB -0.469 31.106 31.823 -0.414 0.000 0.658 539 V HN 0.220 nan 8.190 nan 0.000 0.452 540 F N -0.128 119.810 119.950 -0.021 0.000 2.440 540 F HA 0.496 5.016 4.527 -0.012 0.000 0.328 540 F C 1.177 176.964 175.800 -0.021 0.000 1.070 540 F CA -0.530 57.468 58.000 -0.004 0.000 1.011 540 F CB 0.888 39.882 39.000 -0.011 0.000 1.226 540 F HN -0.018 nan 8.300 nan 0.000 0.491 541 S N 0.237 116.062 115.700 0.207 0.000 2.629 541 S HA 0.110 4.573 4.470 -0.012 0.000 0.250 541 S C 0.935 175.568 174.600 0.056 0.000 1.318 541 S CA -0.422 57.834 58.200 0.094 0.000 0.970 541 S CB 0.029 63.280 63.200 0.085 0.000 0.996 541 S HN 0.374 nan 8.310 nan 0.000 0.563 542 V N 1.466 121.388 119.914 0.014 0.000 2.278 542 V HA -0.059 4.054 4.120 -0.012 0.000 0.238 542 V C 2.523 178.602 176.094 -0.025 0.000 1.039 542 V CA 1.745 64.033 62.300 -0.021 0.000 1.017 542 V CB -1.634 30.169 31.823 -0.033 0.000 0.657 542 V HN 0.766 nan 8.190 nan 0.000 0.462 543 N N 0.809 119.502 118.700 -0.012 0.000 2.064 543 N HA -0.251 4.481 4.740 -0.012 0.000 0.200 543 N C 1.902 177.389 175.510 -0.038 0.000 1.028 543 N CA 2.710 55.750 53.050 -0.017 0.000 0.880 543 N CB -0.690 37.798 38.487 0.002 0.000 1.062 543 N HN 0.712 nan 8.380 nan 0.000 0.454 544 T N -1.283 113.255 114.554 -0.027 0.000 2.665 544 T HA -0.192 4.151 4.350 -0.012 0.000 0.268 544 T C 1.529 176.133 174.700 -0.160 0.000 1.035 544 T CA 1.365 63.414 62.100 -0.085 0.000 1.151 544 T CB -0.580 68.255 68.868 -0.055 0.000 0.862 544 T HN 0.170 nan 8.240 nan 0.000 0.438 545 N N 0.992 119.618 118.700 -0.123 0.000 2.627 545 N HA 0.070 4.803 4.740 -0.012 0.000 0.196 545 N C 0.946 176.363 175.510 -0.155 0.000 1.268 545 N CA 0.245 53.200 53.050 -0.158 0.000 0.904 545 N CB -0.378 38.053 38.487 -0.093 0.000 1.016 545 N HN 0.527 nan 8.380 nan 0.000 0.448 546 L N -0.198 120.942 121.223 -0.139 0.000 2.693 546 L HA 0.307 4.640 4.340 -0.012 0.000 0.235 546 L C 0.172 176.946 176.870 -0.159 0.000 1.127 546 L CA -0.048 54.708 54.840 -0.139 0.000 0.914 546 L CB 0.369 42.368 42.059 -0.099 0.000 1.193 546 L HN -0.023 nan 8.230 nan 0.000 0.502 547 I N 0.180 120.650 120.570 -0.167 0.000 2.474 547 I HA 0.115 4.278 4.170 -0.012 0.000 0.287 547 I C -1.369 174.641 176.117 -0.178 0.000 1.048 547 I CA -1.708 59.490 61.300 -0.170 0.000 1.383 547 I CB 0.683 38.611 38.000 -0.120 0.000 1.412 547 I HN -0.188 nan 8.210 nan 0.000 0.531 548 P HA -0.138 nan 4.420 nan 0.000 0.208 548 P C 0.545 177.647 177.300 -0.329 0.000 1.195 548 P CA 1.678 64.606 63.100 -0.287 0.000 0.927 548 P CB 0.096 31.650 31.700 -0.243 0.000 0.778 549 F N -1.790 118.309 119.950 0.248 0.000 2.750 549 F HA 0.229 4.750 4.527 -0.011 0.000 0.297 549 F C 1.669 177.581 175.800 0.185 0.000 1.138 549 F CA -0.499 57.640 58.000 0.231 0.000 1.346 549 F CB -1.025 38.138 39.000 0.271 0.000 0.965 549 F HN -0.225 nan 8.300 nan 0.000 0.514 550 L N 1.819 123.148 121.223 0.178 0.000 2.255 550 L HA -0.413 3.920 4.340 -0.012 0.000 0.236 550 L C 2.326 179.297 176.870 0.169 0.000 1.129 550 L CA 2.751 57.629 54.840 0.064 0.000 0.853 550 L CB -0.893 41.019 42.059 -0.245 0.000 0.942 550 L HN 0.527 nan 8.230 nan 0.000 0.451 551 E N -2.371 117.999 120.200 0.283 0.000 2.401 551 E HA -0.261 4.082 4.350 -0.012 0.000 0.204 551 E C 1.126 177.621 176.600 -0.174 0.000 1.036 551 E CA 1.768 58.294 56.400 0.209 0.000 0.856 551 E CB -0.640 29.190 29.700 0.216 0.000 0.770 551 E HN 0.762 nan 8.360 nan 0.000 0.527 552 H N -0.279 118.882 119.070 0.152 0.000 2.784 552 H HA 0.247 4.797 4.556 -0.011 0.000 0.273 552 H C -0.498 174.839 175.328 0.015 0.000 1.112 552 H CA -0.239 55.835 56.048 0.044 0.000 1.162 552 H CB 0.587 30.330 29.762 -0.031 0.000 1.586 552 H HN 0.091 nan 8.280 nan 0.000 0.548 553 D N 1.299 121.781 120.400 0.137 0.000 2.308 553 D HA 0.056 4.689 4.640 -0.012 0.000 0.242 553 D C -0.254 176.098 176.300 0.087 0.000 1.059 553 D CA -0.516 53.543 54.000 0.099 0.000 0.830 553 D CB 2.104 42.987 40.800 0.138 0.000 1.161 553 D HN 0.114 nan 8.370 nan 0.000 0.494 554 D N 1.282 121.722 120.400 0.066 0.000 2.426 554 D HA 0.083 4.716 4.640 -0.012 0.000 0.261 554 D C 1.306 177.653 176.300 0.078 0.000 1.245 554 D CA -0.142 53.896 54.000 0.063 0.000 0.917 554 D CB 0.778 41.605 40.800 0.046 0.000 1.123 554 D HN 0.382 nan 8.370 nan 0.000 0.508 555 A N 4.487 127.366 122.820 0.097 0.000 2.038 555 A HA -0.389 3.924 4.320 -0.012 0.000 0.224 555 A C 2.045 179.687 177.584 0.097 0.000 1.190 555 A CA 2.248 54.357 52.037 0.119 0.000 0.668 555 A CB -0.877 18.215 19.000 0.153 0.000 0.820 555 A HN 0.774 nan 8.150 nan 0.000 0.474 556 N N -1.220 117.526 118.700 0.078 0.000 2.205 556 N HA -0.173 4.560 4.740 -0.012 0.000 0.186 556 N C 1.737 177.283 175.510 0.061 0.000 1.015 556 N CA 1.719 54.808 53.050 0.064 0.000 0.862 556 N CB -0.149 38.369 38.487 0.051 0.000 0.986 556 N HN 0.397 nan 8.380 nan 0.000 0.429 557 R N -0.236 120.303 120.500 0.064 0.000 2.189 557 R HA 0.364 4.697 4.340 -0.012 0.000 0.203 557 R C 1.877 178.220 176.300 0.072 0.000 1.012 557 R CA 0.841 56.979 56.100 0.064 0.000 1.015 557 R CB -0.634 29.705 30.300 0.066 0.000 0.938 557 R HN 0.237 nan 8.270 nan 0.000 0.472 558 A N 0.796 123.663 122.820 0.078 0.000 1.958 558 A HA -0.216 4.097 4.320 -0.012 0.000 0.221 558 A C 1.938 179.556 177.584 0.056 0.000 1.178 558 A CA 1.654 53.730 52.037 0.066 0.000 0.642 558 A CB -0.674 18.361 19.000 0.058 0.000 0.816 558 A HN 0.334 nan 8.150 nan 0.000 0.453 559 L N -0.608 120.653 121.223 0.064 0.000 1.976 559 L HA -0.187 4.146 4.340 -0.012 0.000 0.209 559 L C 2.660 179.556 176.870 0.043 0.000 1.071 559 L CA 2.276 57.149 54.840 0.056 0.000 0.746 559 L CB -0.443 41.651 42.059 0.057 0.000 0.890 559 L HN 0.453 nan 8.230 nan 0.000 0.432 560 M N -0.786 118.840 119.600 0.043 0.000 2.255 560 M HA -0.235 4.238 4.480 -0.012 0.000 0.260 560 M C 2.276 178.597 176.300 0.036 0.000 1.069 560 M CA 2.203 57.525 55.300 0.037 0.000 1.089 560 M CB -1.760 30.863 32.600 0.039 0.000 1.269 560 M HN 0.507 nan 8.290 nan 0.000 0.434 561 G N -0.731 108.096 108.800 0.045 0.000 2.545 561 G HA2 -0.276 3.677 3.960 -0.012 0.000 0.222 561 G HA3 -0.276 3.677 3.960 -0.012 0.000 0.222 561 G C 1.674 176.585 174.900 0.018 0.000 1.126 561 G CA 1.659 46.781 45.100 0.037 0.000 0.754 561 G HN 0.491 nan 8.290 nan 0.000 0.583 562 S N -0.391 115.320 115.700 0.019 0.000 2.436 562 S HA 0.016 4.479 4.470 -0.012 0.000 0.228 562 S C 2.103 176.714 174.600 0.018 0.000 1.014 562 S CA 1.030 59.237 58.200 0.012 0.000 0.950 562 S CB -0.229 62.981 63.200 0.017 0.000 0.784 562 S HN 0.620 nan 8.310 nan 0.000 0.504 563 N N -0.295 118.418 118.700 0.022 0.000 2.409 563 N HA 0.100 4.833 4.740 -0.012 0.000 0.174 563 N C 1.568 177.091 175.510 0.022 0.000 1.037 563 N CA 0.375 53.437 53.050 0.020 0.000 0.898 563 N CB -0.057 38.441 38.487 0.019 0.000 1.010 563 N HN 0.185 nan 8.380 nan 0.000 0.445 564 M N 1.734 121.348 119.600 0.023 0.000 2.163 564 M HA -0.253 4.220 4.480 -0.012 0.000 0.258 564 M C 1.936 178.252 176.300 0.027 0.000 1.071 564 M CA 1.809 57.123 55.300 0.022 0.000 1.093 564 M CB -0.510 32.102 32.600 0.021 0.000 1.285 564 M HN 0.083 nan 8.290 nan 0.000 0.420 565 Q N -1.292 118.527 119.800 0.031 0.000 2.165 565 Q HA -0.284 4.049 4.340 -0.012 0.000 0.215 565 Q C 1.822 177.845 176.000 0.038 0.000 1.010 565 Q CA 2.583 58.411 55.803 0.042 0.000 0.896 565 Q CB -0.934 27.828 28.738 0.039 0.000 0.956 565 Q HN 0.620 nan 8.270 nan 0.000 0.413 566 T N 1.062 115.635 114.554 0.032 0.000 2.699 566 T HA -0.205 4.138 4.350 -0.012 0.000 0.268 566 T C 1.260 175.989 174.700 0.049 0.000 1.036 566 T CA 1.455 63.575 62.100 0.033 0.000 1.147 566 T CB -0.191 68.692 68.868 0.025 0.000 0.862 566 T HN 0.364 nan 8.240 nan 0.000 0.446 567 Q N 0.795 120.630 119.800 0.058 0.000 2.344 567 Q HA 0.375 4.708 4.340 -0.012 0.000 0.212 567 Q C 0.381 176.427 176.000 0.076 0.000 0.943 567 Q CA -0.428 55.431 55.803 0.093 0.000 0.955 567 Q CB -0.013 28.767 28.738 0.070 0.000 1.000 567 Q HN 0.418 nan 8.270 nan 0.000 0.488 568 A N 0.999 123.849 122.820 0.049 0.000 2.671 568 A HA 0.208 4.521 4.320 -0.012 0.000 0.306 568 A C -0.053 177.545 177.584 0.024 0.000 1.473 568 A CA -0.330 51.725 52.037 0.032 0.000 1.155 568 A CB 0.130 19.149 19.000 0.032 0.000 1.123 568 A HN 0.248 nan 8.150 nan 0.000 0.545 569 V N 5.318 125.254 119.914 0.036 0.000 2.450 569 V HA 0.178 4.291 4.120 -0.012 0.000 0.281 569 V C -2.093 174.005 176.094 0.007 0.000 1.019 569 V CA -1.638 60.680 62.300 0.029 0.000 1.062 569 V CB 0.601 32.467 31.823 0.072 0.000 0.979 569 V HN 0.703 nan 8.190 nan 0.000 0.477 570 P HA 0.006 nan 4.420 nan 0.000 0.231 570 P C -0.585 176.693 177.300 -0.036 0.000 1.210 570 P CA 0.150 63.233 63.100 -0.028 0.000 1.332 570 P CB -0.317 31.361 31.700 -0.037 0.000 1.594 571 L N 2.829 124.016 121.223 -0.061 0.000 2.485 571 L HA -0.031 4.302 4.340 -0.012 0.000 0.275 571 L C 2.205 179.012 176.870 -0.104 0.000 1.207 571 L CA 0.485 55.268 54.840 -0.094 0.000 0.855 571 L CB -0.209 41.736 42.059 -0.190 0.000 1.114 571 L HN 0.339 nan 8.230 nan 0.000 0.485 572 I N -1.044 119.477 120.570 -0.081 0.000 2.454 572 I HA -0.102 4.061 4.170 -0.012 0.000 0.254 572 I C 1.253 177.300 176.117 -0.116 0.000 1.156 572 I CA 1.135 62.393 61.300 -0.070 0.000 1.433 572 I CB -0.296 37.693 38.000 -0.018 0.000 1.082 572 I HN 0.512 nan 8.210 nan 0.000 0.432 573 R N 2.502 122.887 120.500 -0.191 0.000 4.048 573 R HA 0.507 4.840 4.340 -0.012 0.000 0.290 573 R C -0.076 176.021 176.300 -0.339 0.000 1.519 573 R CA -0.349 55.580 56.100 -0.285 0.000 1.446 573 R CB -0.098 29.951 30.300 -0.419 0.000 1.455 573 R HN 0.414 nan 8.270 nan 0.000 0.706 574 A N 0.966 123.660 122.820 -0.210 0.000 2.577 574 A HA 0.057 4.370 4.320 -0.012 0.000 0.233 574 A C 0.082 177.576 177.584 -0.151 0.000 1.076 574 A CA 0.559 52.502 52.037 -0.157 0.000 0.767 574 A CB 0.410 19.354 19.000 -0.093 0.000 1.017 574 A HN 0.575 nan 8.150 nan 0.000 0.511 575 Q N -0.812 118.955 119.800 -0.056 0.000 2.518 575 Q HA 0.493 4.826 4.340 -0.012 0.000 0.254 575 Q C -1.020 175.092 176.000 0.188 0.000 0.962 575 Q CA -0.266 55.543 55.803 0.010 0.000 0.982 575 Q CB 1.615 30.311 28.738 -0.070 0.000 1.516 575 Q HN 1.366 nan 8.270 nan 0.000 0.426 576 A N 4.122 127.023 122.820 0.135 0.000 2.340 576 A HA 0.703 5.016 4.320 -0.012 0.000 0.268 576 A C -2.453 175.152 177.584 0.036 0.000 1.100 576 A CA -1.244 50.859 52.037 0.111 0.000 0.803 576 A CB 0.127 19.232 19.000 0.174 0.000 1.043 576 A HN 0.427 nan 8.150 nan 0.000 0.488 577 P HA 0.081 nan 4.420 nan 0.000 0.266 577 P C 1.132 178.387 177.300 -0.075 0.000 1.195 577 P CA -0.030 62.806 63.100 -0.440 0.000 0.768 577 P CB 0.386 31.470 31.700 -1.027 0.000 0.838 578 V N 1.714 121.675 119.914 0.079 0.000 2.828 578 V HA -0.089 4.024 4.120 -0.012 0.000 0.260 578 V C 0.902 177.086 176.094 0.150 0.000 1.101 578 V CA 1.067 63.446 62.300 0.132 0.000 1.123 578 V CB -0.903 31.059 31.823 0.231 0.000 0.704 578 V HN 0.415 nan 8.190 nan 0.000 0.493 579 V N 1.530 121.491 119.914 0.078 0.000 2.524 579 V HA 0.681 4.794 4.120 -0.012 0.000 0.297 579 V C -0.847 175.198 176.094 -0.083 0.000 1.035 579 V CA -0.753 61.599 62.300 0.087 0.000 0.867 579 V CB 1.838 33.731 31.823 0.116 0.000 1.004 579 V HN 0.396 nan 8.190 nan 0.000 0.426 580 M N 4.931 124.486 119.600 -0.076 0.000 2.456 580 M HA 0.392 4.865 4.480 -0.012 0.000 0.324 580 M C 1.337 177.544 176.300 -0.156 0.000 1.124 580 M CA -0.393 54.805 55.300 -0.169 0.000 0.959 580 M CB 2.258 34.739 32.600 -0.198 0.000 1.692 580 M HN 0.773 nan 8.290 nan 0.000 0.444 581 T N -1.451 112.987 114.554 -0.193 0.000 2.708 581 T HA 0.084 4.427 4.350 -0.012 0.000 0.266 581 T C 1.270 175.882 174.700 -0.146 0.000 1.037 581 T CA 1.638 63.635 62.100 -0.172 0.000 1.146 581 T CB -0.180 68.577 68.868 -0.185 0.000 0.865 581 T HN 1.009 nan 8.240 nan 0.000 0.435 582 G N 0.609 109.300 108.800 -0.182 0.000 3.967 582 G HA2 -0.055 3.898 3.960 -0.012 0.000 0.210 582 G HA3 -0.055 3.898 3.960 -0.012 0.000 0.210 582 G C 0.805 175.574 174.900 -0.218 0.000 1.127 582 G CA -0.041 44.949 45.100 -0.182 0.000 0.887 582 G HN 0.427 nan 8.290 nan 0.000 0.367 583 L N 2.543 123.655 121.223 -0.186 0.000 2.721 583 L HA 0.057 4.390 4.340 -0.012 0.000 0.241 583 L C 2.431 179.184 176.870 -0.195 0.000 1.168 583 L CA 0.669 55.405 54.840 -0.173 0.000 0.866 583 L CB -0.224 41.749 42.059 -0.143 0.000 0.996 583 L HN 0.271 nan 8.230 nan 0.000 0.451 584 E N 0.797 120.825 120.200 -0.286 0.000 2.055 584 E HA -0.289 4.054 4.350 -0.012 0.000 0.209 584 E C 1.800 178.279 176.600 -0.200 0.000 1.036 584 E CA 2.035 58.245 56.400 -0.317 0.000 0.849 584 E CB -0.453 28.856 29.700 -0.651 0.000 0.767 584 E HN 0.634 nan 8.360 nan 0.000 0.461 585 E N 0.478 120.525 120.200 -0.254 0.000 2.047 585 E HA -0.109 4.234 4.350 -0.012 0.000 0.191 585 E C 2.266 178.864 176.600 -0.003 0.000 0.987 585 E CA 0.336 56.735 56.400 -0.002 0.000 0.799 585 E CB -0.176 29.553 29.700 0.049 0.000 0.752 585 E HN 0.024 nan 8.360 nan 0.000 0.449 586 R N 1.054 121.511 120.500 -0.071 0.000 2.134 586 R HA -0.179 4.154 4.340 -0.012 0.000 0.248 586 R C 2.433 178.703 176.300 -0.050 0.000 1.143 586 R CA 1.201 57.258 56.100 -0.072 0.000 0.957 586 R CB -1.022 29.216 30.300 -0.104 0.000 0.867 586 R HN 0.158 nan 8.270 nan 0.000 0.441 587 V N 1.001 120.886 119.914 -0.048 0.000 2.233 587 V HA -0.269 3.843 4.120 -0.012 0.000 0.247 587 V C 2.633 178.731 176.094 0.007 0.000 1.050 587 V CA 2.097 64.379 62.300 -0.030 0.000 1.010 587 V CB -1.149 30.655 31.823 -0.032 0.000 0.637 587 V HN 0.285 nan 8.190 nan 0.000 0.444 588 V N 0.137 120.076 119.914 0.042 0.000 2.233 588 V HA -0.294 3.819 4.120 -0.012 0.000 0.247 588 V C 2.537 178.723 176.094 0.153 0.000 1.050 588 V CA 2.556 64.909 62.300 0.088 0.000 1.010 588 V CB -1.019 30.875 31.823 0.119 0.000 0.637 588 V HN 0.447 nan 8.190 nan 0.000 0.444 589 R N 1.209 121.822 120.500 0.187 0.000 2.103 589 R HA -0.183 4.150 4.340 -0.012 0.000 0.242 589 R C 1.987 178.281 176.300 -0.011 0.000 1.142 589 R CA 2.552 58.709 56.100 0.095 0.000 0.960 589 R CB -1.133 29.093 30.300 -0.123 0.000 0.858 589 R HN 0.720 nan 8.270 nan 0.000 0.439 590 D N -0.388 119.999 120.400 -0.023 0.000 2.289 590 D HA -0.017 4.616 4.640 -0.012 0.000 0.207 590 D C 0.808 177.096 176.300 -0.020 0.000 0.966 590 D CA 0.955 54.930 54.000 -0.041 0.000 0.868 590 D CB 0.117 40.882 40.800 -0.059 0.000 0.943 590 D HN 0.385 nan 8.370 nan 0.000 0.514 591 S N -0.178 115.522 115.700 0.000 0.000 2.552 591 S HA 0.417 4.880 4.470 -0.012 0.000 0.271 591 S C 0.289 174.898 174.600 0.014 0.000 1.168 591 S CA -0.621 57.575 58.200 -0.007 0.000 1.026 591 S CB 0.956 64.152 63.200 -0.007 0.000 1.120 591 S HN 0.069 nan 8.310 nan 0.000 0.514 592 L N 0.608 121.830 121.223 -0.002 0.000 2.551 592 L HA 0.433 4.766 4.340 -0.012 0.000 0.248 592 L C 0.795 177.647 176.870 -0.030 0.000 1.509 592 L CA -0.396 54.447 54.840 0.004 0.000 0.842 592 L CB 0.578 42.627 42.059 -0.016 0.000 1.087 592 L HN 0.905 nan 8.230 nan 0.000 0.512 593 A N 0.615 123.419 122.820 -0.025 0.000 1.901 593 A HA 0.531 4.843 4.320 -0.012 0.000 0.210 593 A C 1.193 178.711 177.584 -0.110 0.000 1.208 593 A CA 0.911 52.910 52.037 -0.064 0.000 0.644 593 A CB 0.171 19.142 19.000 -0.047 0.000 0.863 593 A HN 0.482 nan 8.150 nan 0.000 0.454 594 A N -0.843 121.890 122.820 -0.145 0.000 2.279 594 A HA 0.634 4.947 4.320 -0.012 0.000 0.303 594 A C -0.756 176.592 177.584 -0.394 0.000 1.108 594 A CA -0.365 51.484 52.037 -0.312 0.000 0.830 594 A CB 0.427 19.148 19.000 -0.465 0.000 1.106 594 A HN 0.427 nan 8.150 nan 0.000 0.493 595 L N 1.843 122.816 121.223 -0.416 0.000 2.277 595 L HA 0.471 4.804 4.340 -0.012 0.000 0.284 595 L C -1.088 175.557 176.870 -0.375 0.000 1.028 595 L CA 0.139 54.782 54.840 -0.328 0.000 0.835 595 L CB 0.092 42.004 42.059 -0.246 0.000 1.215 595 L HN 0.673 nan 8.230 nan 0.000 0.425 596 Y N 2.253 122.474 120.300 -0.131 0.000 2.408 596 Y HA 0.722 5.265 4.550 -0.012 0.000 0.324 596 Y C 0.610 176.456 175.900 -0.089 0.000 1.302 596 Y CA -0.743 57.307 58.100 -0.084 0.000 1.384 596 Y CB 0.854 39.278 38.460 -0.059 0.000 1.367 596 Y HN 0.546 nan 8.280 nan 0.000 0.525 597 A N 0.399 123.331 122.820 0.188 0.000 2.304 597 A HA 0.385 4.698 4.320 -0.012 0.000 0.323 597 A C 0.447 178.104 177.584 0.123 0.000 1.195 597 A CA -0.702 51.458 52.037 0.204 0.000 0.826 597 A CB 0.433 19.583 19.000 0.251 0.000 1.184 597 A HN 0.918 nan 8.150 nan 0.000 0.496 598 E N 1.409 121.685 120.200 0.126 0.000 1.984 598 E HA -0.135 4.208 4.350 -0.012 0.000 0.203 598 E C 0.578 177.060 176.600 -0.198 0.000 0.998 598 E CA 1.163 57.537 56.400 -0.043 0.000 0.865 598 E CB 0.039 29.727 29.700 -0.019 0.000 0.806 598 E HN 0.812 nan 8.360 nan 0.000 0.504 599 E N 0.744 120.636 120.200 -0.514 0.000 2.299 599 E HA 0.071 4.413 4.350 -0.012 0.000 0.260 599 E C -0.860 175.522 176.600 -0.363 0.000 0.944 599 E CA -0.900 55.260 56.400 -0.400 0.000 0.815 599 E CB 1.079 30.555 29.700 -0.372 0.000 1.252 599 E HN -0.003 nan 8.360 nan 0.000 0.418 600 D N 0.008 120.314 120.400 -0.157 0.000 2.438 600 D HA 0.177 4.810 4.640 -0.012 0.000 0.230 600 D C 0.417 176.746 176.300 0.048 0.000 1.248 600 D CA 1.378 55.355 54.000 -0.039 0.000 0.883 600 D CB 0.311 41.099 40.800 -0.020 0.000 1.233 600 D HN 0.711 nan 8.370 nan 0.000 0.500 601 G N -0.996 107.872 108.800 0.114 0.000 2.367 601 G HA2 0.310 4.263 3.960 -0.012 0.000 0.272 601 G HA3 0.310 4.263 3.960 -0.012 0.000 0.272 601 G C -1.115 173.856 174.900 0.119 0.000 1.271 601 G CA -0.212 44.997 45.100 0.181 0.000 0.893 601 G HN 0.554 nan 8.290 nan 0.000 0.485 602 E N -2.109 118.151 120.200 0.101 0.000 2.475 602 E HA 0.749 5.092 4.350 -0.012 0.000 0.221 602 E C -1.262 175.363 176.600 0.041 0.000 0.793 602 E CA -0.663 55.770 56.400 0.055 0.000 0.922 602 E CB 2.182 31.900 29.700 0.030 0.000 1.778 602 E HN 0.512 nan 8.360 nan 0.000 0.392 603 V N 1.430 121.353 119.914 0.015 0.000 2.577 603 V HA 0.461 4.574 4.120 -0.012 0.000 0.303 603 V C 0.446 176.528 176.094 -0.022 0.000 1.042 603 V CA 0.025 62.325 62.300 -0.001 0.000 0.872 603 V CB 0.989 32.817 31.823 0.008 0.000 0.998 603 V HN 0.869 nan 8.190 nan 0.000 0.423 604 A N 4.715 127.508 122.820 -0.046 0.000 1.865 604 A HA 0.332 4.645 4.320 -0.012 0.000 0.216 604 A C 0.726 178.286 177.584 -0.040 0.000 1.315 604 A CA 0.760 52.766 52.037 -0.052 0.000 0.605 604 A CB 0.167 19.117 19.000 -0.084 0.000 0.984 604 A HN 0.679 nan 8.150 nan 0.000 0.470 605 K N 0.365 120.738 120.400 -0.044 0.000 2.578 605 K HA 0.466 4.779 4.320 -0.012 0.000 0.250 605 K C -1.427 175.160 176.600 -0.022 0.000 0.955 605 K CA -0.500 55.769 56.287 -0.031 0.000 0.825 605 K CB 2.346 34.827 32.500 -0.033 0.000 1.151 605 K HN 0.277 nan 8.250 nan 0.000 0.432 606 V N -0.403 119.504 119.914 -0.012 0.000 2.334 606 V HA 0.387 4.500 4.120 -0.012 0.000 0.267 606 V C -0.651 175.442 176.094 -0.002 0.000 1.040 606 V CA -0.448 61.850 62.300 -0.004 0.000 0.866 606 V CB 0.728 32.549 31.823 -0.003 0.000 1.019 606 V HN 0.581 nan 8.190 nan 0.000 0.468 607 D N 4.262 124.663 120.400 0.003 0.000 2.308 607 D HA 0.602 5.235 4.640 -0.012 0.000 0.242 607 D C 1.373 177.683 176.300 0.017 0.000 1.059 607 D CA 0.408 54.413 54.000 0.008 0.000 0.830 607 D CB 2.050 42.854 40.800 0.006 0.000 1.161 607 D HN 0.619 nan 8.370 nan 0.000 0.494 608 G N 2.465 111.278 108.800 0.021 0.000 2.697 608 G HA2 -0.343 3.610 3.960 -0.012 0.000 0.223 608 G HA3 -0.343 3.610 3.960 -0.012 0.000 0.223 608 G C 1.107 176.033 174.900 0.044 0.000 1.083 608 G CA 0.938 46.058 45.100 0.034 0.000 0.722 608 G HN 0.541 nan 8.290 nan 0.000 0.604 609 N N -1.200 117.523 118.700 0.039 0.000 2.510 609 N HA 0.140 4.873 4.740 -0.012 0.000 0.186 609 N C 0.605 176.137 175.510 0.038 0.000 1.051 609 N CA -0.201 52.877 53.050 0.047 0.000 0.877 609 N CB 0.490 39.004 38.487 0.044 0.000 1.183 609 N HN 0.392 nan 8.380 nan 0.000 0.443 610 R N 0.310 120.825 120.500 0.025 0.000 2.673 610 R HA 0.552 4.885 4.340 -0.012 0.000 0.281 610 R C -1.603 174.708 176.300 0.018 0.000 0.991 610 R CA -0.595 55.520 56.100 0.024 0.000 0.896 610 R CB 1.335 31.639 30.300 0.008 0.000 1.201 610 R HN -0.103 nan 8.270 nan 0.000 0.457 611 I N 2.620 123.215 120.570 0.041 0.000 2.389 611 I HA 0.365 4.528 4.170 -0.012 0.000 0.288 611 I C -0.805 175.294 176.117 -0.030 0.000 0.999 611 I CA -1.364 59.960 61.300 0.041 0.000 1.129 611 I CB 2.296 40.363 38.000 0.112 0.000 1.288 611 I HN 0.369 nan 8.210 nan 0.000 0.444 612 V N 6.923 126.783 119.914 -0.091 0.000 2.334 612 V HA 0.270 4.383 4.120 -0.012 0.000 0.281 612 V C 0.209 176.182 176.094 -0.201 0.000 1.016 612 V CA -0.812 61.363 62.300 -0.209 0.000 0.832 612 V CB 1.558 33.280 31.823 -0.167 0.000 0.999 612 V HN 0.513 nan 8.190 nan 0.000 0.439 613 V N 2.913 122.629 119.914 -0.330 0.000 2.649 613 V HA 0.581 4.694 4.120 -0.012 0.000 0.292 613 V C 0.383 176.279 176.094 -0.330 0.000 1.055 613 V CA -0.732 61.409 62.300 -0.265 0.000 1.023 613 V CB 0.942 32.594 31.823 -0.284 0.000 0.992 613 V HN 0.800 nan 8.190 nan 0.000 0.480 614 R N 3.328 123.760 120.500 -0.113 0.000 3.559 614 R HA 0.353 4.686 4.340 -0.012 0.000 0.273 614 R C -0.476 175.883 176.300 0.099 0.000 1.423 614 R CA -0.589 55.479 56.100 -0.055 0.000 1.581 614 R CB -1.008 29.284 30.300 -0.014 0.000 1.338 614 R HN 0.804 nan 8.270 nan 0.000 0.667 615 Y N 1.149 121.446 120.300 -0.006 0.000 2.788 615 Y HA -0.099 4.443 4.550 -0.012 0.000 0.341 615 Y C 1.134 177.035 175.900 0.001 0.000 1.258 615 Y CA -0.376 57.727 58.100 0.005 0.000 1.503 615 Y CB 0.859 39.323 38.460 0.007 0.000 1.325 615 Y HN 0.346 nan 8.280 nan 0.000 0.614 616 E N 2.135 122.432 120.200 0.162 0.000 2.365 616 E HA -0.053 4.290 4.350 -0.012 0.000 0.188 616 E C 0.006 176.646 176.600 0.067 0.000 1.102 616 E CA 0.375 56.825 56.400 0.084 0.000 0.927 616 E CB -0.471 29.260 29.700 0.050 0.000 1.073 616 E HN 0.690 nan 8.360 nan 0.000 0.467 617 D N -1.519 118.938 120.400 0.095 0.000 2.402 617 D HA 0.230 4.863 4.640 -0.012 0.000 0.216 617 D C 1.274 177.610 176.300 0.059 0.000 1.128 617 D CA 0.343 54.385 54.000 0.069 0.000 0.833 617 D CB 0.658 41.505 40.800 0.078 0.000 0.971 617 D HN 0.080 nan 8.370 nan 0.000 0.503 618 G N 0.483 109.314 108.800 0.053 0.000 2.299 618 G HA2 -0.337 3.616 3.960 -0.012 0.000 0.237 618 G HA3 -0.337 3.616 3.960 -0.012 0.000 0.237 618 G C 0.516 175.425 174.900 0.015 0.000 1.027 618 G CA -0.081 45.035 45.100 0.028 0.000 0.619 618 G HN 0.427 nan 8.290 nan 0.000 0.513 619 R N 0.390 120.908 120.500 0.030 0.000 2.546 619 R HA 0.792 5.125 4.340 -0.012 0.000 0.266 619 R C 0.279 176.527 176.300 -0.086 0.000 1.086 619 R CA 0.001 56.095 56.100 -0.011 0.000 1.160 619 R CB 0.644 30.954 30.300 0.017 0.000 1.138 619 R HN 0.694 nan 8.270 nan 0.000 0.567 620 L N -2.603 118.527 121.223 -0.155 0.000 2.482 620 L HA 0.753 5.086 4.340 -0.012 0.000 0.263 620 L C -1.149 175.531 176.870 -0.316 0.000 0.957 620 L CA -1.204 53.474 54.840 -0.271 0.000 0.836 620 L CB 2.110 44.056 42.059 -0.189 0.000 1.324 620 L HN 0.258 nan 8.230 nan 0.000 0.406 621 V N 1.206 120.819 119.914 -0.502 0.000 2.735 621 V HA 0.451 4.564 4.120 -0.012 0.000 0.310 621 V C -0.275 175.425 176.094 -0.657 0.000 1.061 621 V CA -0.428 61.552 62.300 -0.533 0.000 0.913 621 V CB 2.074 33.534 31.823 -0.605 0.000 1.005 621 V HN 0.942 nan 8.190 nan 0.000 0.428 622 E N 2.975 122.901 120.200 -0.457 0.000 2.319 622 E HA 0.422 4.765 4.350 -0.012 0.000 0.268 622 E C -1.749 174.640 176.600 -0.352 0.000 1.050 622 E CA -0.426 55.778 56.400 -0.327 0.000 0.878 622 E CB 1.134 30.743 29.700 -0.152 0.000 1.066 622 E HN 0.694 nan 8.360 nan 0.000 0.406 623 Y N 3.119 123.392 120.300 -0.046 0.000 2.349 623 Y HA 0.294 4.837 4.550 -0.012 0.000 0.324 623 Y C -2.183 173.699 175.900 -0.031 0.000 1.005 623 Y CA -2.649 55.431 58.100 -0.034 0.000 1.240 623 Y CB 2.070 40.513 38.460 -0.029 0.000 1.117 623 Y HN 0.473 nan 8.280 nan 0.000 0.463 624 P HA 0.139 nan 4.420 nan 0.000 0.271 624 P C -0.990 176.333 177.300 0.038 0.000 1.216 624 P CA 0.050 63.191 63.100 0.069 0.000 0.771 624 P CB 0.754 32.483 31.700 0.048 0.000 0.864 625 L N 3.737 124.980 121.223 0.033 0.000 2.324 625 L HA 0.412 4.745 4.340 -0.012 0.000 0.274 625 L C 0.645 177.532 176.870 0.028 0.000 1.012 625 L CA -0.615 54.225 54.840 0.001 0.000 0.859 625 L CB 0.821 42.881 42.059 0.001 0.000 1.224 625 L HN 0.196 nan 8.230 nan 0.000 0.429 626 R N 3.117 123.592 120.500 -0.041 0.000 2.638 626 R HA -0.099 4.234 4.340 -0.012 0.000 0.351 626 R C 1.152 177.573 176.300 0.203 0.000 0.871 626 R CA 0.215 56.323 56.100 0.013 0.000 1.091 626 R CB 0.303 30.299 30.300 -0.506 0.000 0.900 626 R HN 0.682 nan 8.270 nan 0.000 0.405 627 R N 3.126 123.829 120.500 0.339 0.000 2.150 627 R HA -0.041 4.291 4.340 -0.012 0.000 0.197 627 R C 0.012 176.301 176.300 -0.018 0.000 1.084 627 R CA 0.812 57.010 56.100 0.163 0.000 0.998 627 R CB -0.177 30.304 30.300 0.303 0.000 0.737 627 R HN 0.281 nan 8.270 nan 0.000 0.503 628 F N 0.940 120.919 119.950 0.049 0.000 2.318 628 F HA 0.379 4.899 4.527 -0.012 0.000 0.356 628 F C -0.818 174.961 175.800 -0.034 0.000 1.109 628 F CA -0.898 57.112 58.000 0.016 0.000 1.234 628 F CB 0.312 39.296 39.000 -0.027 0.000 1.545 628 F HN 0.100 nan 8.300 nan 0.000 0.534 629 Y N 0.514 120.839 120.300 0.042 0.000 2.403 629 Y HA 0.546 5.089 4.550 -0.012 0.000 0.323 629 Y C 0.609 176.527 175.900 0.030 0.000 1.226 629 Y CA -0.878 57.247 58.100 0.042 0.000 1.235 629 Y CB 0.969 39.427 38.460 -0.003 0.000 1.248 629 Y HN 0.240 nan 8.280 nan 0.000 0.489 630 R N 1.448 122.075 120.500 0.211 0.000 2.254 630 R HA 0.415 4.748 4.340 -0.012 0.000 0.318 630 R C -0.835 175.499 176.300 0.057 0.000 1.031 630 R CA -0.402 55.757 56.100 0.098 0.000 0.905 630 R CB 0.495 30.862 30.300 0.111 0.000 1.050 630 R HN 0.692 nan 8.270 nan 0.000 0.456 631 S N 2.741 118.427 115.700 -0.023 0.000 2.617 631 S HA 0.265 4.728 4.470 -0.012 0.000 0.283 631 S C 0.556 175.126 174.600 -0.051 0.000 1.189 631 S CA -0.750 57.426 58.200 -0.040 0.000 1.036 631 S CB 1.527 64.685 63.200 -0.070 0.000 1.014 631 S HN 0.691 nan 8.310 nan 0.000 0.522 632 N N 1.830 120.510 118.700 -0.035 0.000 2.049 632 N HA -0.211 4.522 4.740 -0.012 0.000 0.198 632 N C 1.980 177.512 175.510 0.037 0.000 1.030 632 N CA 2.375 55.420 53.050 -0.008 0.000 0.870 632 N CB -0.361 38.131 38.487 0.008 0.000 1.045 632 N HN 0.737 nan 8.380 nan 0.000 0.434 633 Q N -1.770 118.031 119.800 0.002 0.000 2.119 633 Q HA 0.054 4.387 4.340 -0.012 0.000 0.201 633 Q C 1.501 177.471 176.000 -0.051 0.000 0.972 633 Q CA 1.631 57.411 55.803 -0.038 0.000 0.847 633 Q CB -0.257 28.319 28.738 -0.270 0.000 0.903 633 Q HN 0.541 nan 8.270 nan 0.000 0.433 634 G N 0.772 109.475 108.800 -0.162 0.000 2.336 634 G HA2 -0.228 3.725 3.960 -0.012 0.000 0.194 634 G HA3 -0.228 3.725 3.960 -0.012 0.000 0.194 634 G C 0.372 174.939 174.900 -0.554 0.000 0.999 634 G CA 0.117 44.966 45.100 -0.417 0.000 0.669 634 G HN 0.500 nan 8.290 nan 0.000 0.482 635 T N 0.615 115.029 114.554 -0.233 0.000 2.784 635 T HA 0.672 5.015 4.350 -0.012 0.000 0.291 635 T C 0.886 175.527 174.700 -0.098 0.000 0.942 635 T CA 0.761 62.805 62.100 -0.093 0.000 1.161 635 T CB 1.418 70.224 68.868 -0.103 0.000 0.885 635 T HN 1.723 nan 8.240 nan 0.000 0.534 636 A N 3.985 126.767 122.820 -0.064 0.000 2.475 636 A HA 0.538 4.851 4.320 -0.012 0.000 0.239 636 A C 0.017 177.564 177.584 -0.061 0.000 1.087 636 A CA -0.501 51.511 52.037 -0.042 0.000 0.779 636 A CB -0.248 18.747 19.000 -0.008 0.000 1.036 636 A HN 0.919 nan 8.150 nan 0.000 0.506 637 L N 1.920 123.108 121.223 -0.059 0.000 2.406 637 L HA 0.442 4.774 4.340 -0.012 0.000 0.270 637 L C -0.982 175.813 176.870 -0.125 0.000 0.982 637 L CA -0.522 54.267 54.840 -0.085 0.000 0.843 637 L CB 1.787 43.807 42.059 -0.065 0.000 1.225 637 L HN 0.666 nan 8.230 nan 0.000 0.412 638 D N 1.903 122.184 120.400 -0.198 0.000 2.620 638 D HA 0.190 4.823 4.640 -0.012 0.000 0.252 638 D C -0.818 175.368 176.300 -0.191 0.000 1.207 638 D CA -0.562 53.278 54.000 -0.267 0.000 0.884 638 D CB 1.592 42.065 40.800 -0.546 0.000 1.262 638 D HN 0.556 nan 8.370 nan 0.000 0.552 639 Q N 2.367 122.081 119.800 -0.144 0.000 2.452 639 Q HA 0.238 4.571 4.340 -0.012 0.000 0.230 639 Q C -0.297 175.639 176.000 -0.106 0.000 1.180 639 Q CA -0.272 55.457 55.803 -0.124 0.000 0.914 639 Q CB 0.650 29.320 28.738 -0.114 0.000 1.408 639 Q HN 0.162 nan 8.270 nan 0.000 0.520 640 R N 2.813 123.248 120.500 -0.109 0.000 2.389 640 R HA 0.219 4.552 4.340 -0.012 0.000 0.295 640 R C -2.402 173.854 176.300 -0.073 0.000 1.075 640 R CA -1.584 54.468 56.100 -0.081 0.000 1.005 640 R CB -0.124 30.128 30.300 -0.080 0.000 0.987 640 R HN 0.297 nan 8.270 nan 0.000 0.452 641 P HA 0.174 nan 4.420 nan 0.000 0.282 641 P C -0.188 177.085 177.300 -0.045 0.000 1.262 641 P CA -0.401 62.673 63.100 -0.044 0.000 0.773 641 P CB 1.202 32.890 31.700 -0.020 0.000 0.879 642 R N 1.717 122.184 120.500 -0.055 0.000 2.128 642 R HA 0.128 4.461 4.340 -0.012 0.000 0.211 642 R C 0.232 176.510 176.300 -0.037 0.000 1.067 642 R CA 0.407 56.475 56.100 -0.053 0.000 1.010 642 R CB -0.589 29.667 30.300 -0.073 0.000 0.922 642 R HN 0.269 nan 8.270 nan 0.000 0.457 643 V N 4.033 123.931 119.914 -0.026 0.000 2.479 643 V HA 0.013 4.126 4.120 -0.012 0.000 0.281 643 V C 1.522 177.612 176.094 -0.007 0.000 1.031 643 V CA -0.427 61.867 62.300 -0.011 0.000 1.038 643 V CB 0.596 32.422 31.823 0.006 0.000 0.981 643 V HN -0.005 nan 8.190 nan 0.000 0.478 644 V N 5.069 124.978 119.914 -0.008 0.000 3.950 644 V HA 0.297 4.410 4.120 -0.012 0.000 0.265 644 V C 0.523 176.615 176.094 -0.003 0.000 0.909 644 V CA -0.263 62.032 62.300 -0.007 0.000 0.910 644 V CB 0.037 31.855 31.823 -0.008 0.000 1.213 644 V HN 0.466 nan 8.190 nan 0.000 0.409 645 V N 0.438 120.349 119.914 -0.005 0.000 2.509 645 V HA 0.628 4.741 4.120 -0.012 0.000 0.284 645 V C 1.356 177.448 176.094 -0.003 0.000 1.047 645 V CA 0.242 62.539 62.300 -0.005 0.000 0.952 645 V CB -0.203 31.616 31.823 -0.007 0.000 0.988 645 V HN 1.676 nan 8.190 nan 0.000 0.469 646 G N 3.147 111.945 108.800 -0.003 0.000 2.390 646 G HA2 -0.294 3.659 3.960 -0.012 0.000 0.299 646 G HA3 -0.294 3.659 3.960 -0.012 0.000 0.299 646 G C 0.184 175.087 174.900 0.006 0.000 1.002 646 G CA 0.901 46.001 45.100 -0.000 0.000 0.979 646 G HN 0.879 nan 8.290 nan 0.000 0.513 647 Q N -0.085 119.721 119.800 0.010 0.000 2.267 647 Q HA 0.348 4.680 4.340 -0.012 0.000 0.255 647 Q C 1.225 177.239 176.000 0.023 0.000 0.923 647 Q CA -1.020 54.790 55.803 0.013 0.000 0.925 647 Q CB 0.458 29.202 28.738 0.011 0.000 1.195 647 Q HN 0.551 nan 8.270 nan 0.000 0.417 648 R N 3.530 124.043 120.500 0.022 0.000 2.605 648 R HA 0.102 4.435 4.340 -0.012 0.000 0.271 648 R C 0.177 176.499 176.300 0.036 0.000 1.418 648 R CA -0.151 55.966 56.100 0.030 0.000 1.102 648 R CB -1.137 29.176 30.300 0.021 0.000 1.131 648 R HN 0.420 nan 8.270 nan 0.000 0.554 649 V N 1.214 121.161 119.914 0.054 0.000 3.332 649 V HA 0.153 4.266 4.120 -0.012 0.000 0.305 649 V C 0.175 176.301 176.094 0.052 0.000 1.114 649 V CA -0.575 61.763 62.300 0.062 0.000 1.194 649 V CB 0.436 32.319 31.823 0.101 0.000 1.027 649 V HN 0.792 nan 8.190 nan 0.000 0.492 650 R N 1.984 122.513 120.500 0.048 0.000 2.409 650 R HA 0.432 4.765 4.340 -0.012 0.000 0.313 650 R C -0.380 175.941 176.300 0.034 0.000 0.953 650 R CA -0.916 55.203 56.100 0.032 0.000 0.849 650 R CB 0.629 30.945 30.300 0.026 0.000 1.171 650 R HN 1.012 nan 8.270 nan 0.000 0.458 651 K N 1.385 121.791 120.400 0.010 0.000 2.578 651 K HA -0.105 4.208 4.320 -0.012 0.000 0.279 651 K C 0.938 177.545 176.600 0.012 0.000 0.983 651 K CA 2.075 58.358 56.287 -0.006 0.000 1.078 651 K CB -0.103 32.369 32.500 -0.046 0.000 0.852 651 K HN 0.857 nan 8.250 nan 0.000 0.490 652 G N 2.610 111.425 108.800 0.025 0.000 2.284 652 G HA2 -0.320 3.633 3.960 -0.012 0.000 0.261 652 G HA3 -0.320 3.633 3.960 -0.012 0.000 0.261 652 G C -0.003 174.982 174.900 0.140 0.000 0.997 652 G CA 0.456 45.570 45.100 0.023 0.000 0.621 652 G HN 0.876 nan 8.290 nan 0.000 0.534 653 D N 1.618 122.100 120.400 0.135 0.000 2.390 653 D HA 0.350 4.983 4.640 -0.012 0.000 0.249 653 D C 1.677 178.091 176.300 0.191 0.000 1.144 653 D CA -0.165 53.935 54.000 0.167 0.000 0.880 653 D CB 0.484 41.336 40.800 0.086 0.000 1.182 653 D HN 0.778 nan 8.370 nan 0.000 0.451 654 L N 1.380 122.710 121.223 0.179 0.000 2.536 654 L HA 0.019 4.352 4.340 -0.012 0.000 0.294 654 L C 0.353 177.175 176.870 -0.080 0.000 1.257 654 L CA -0.283 54.481 54.840 -0.126 0.000 0.850 654 L CB 0.476 42.353 42.059 -0.302 0.000 1.105 654 L HN 0.445 nan 8.230 nan 0.000 0.517 655 L N 2.139 123.284 121.223 -0.130 0.000 2.453 655 L HA 0.478 4.811 4.340 -0.012 0.000 0.190 655 L C 1.057 177.870 176.870 -0.095 0.000 1.093 655 L CA 0.657 55.462 54.840 -0.058 0.000 0.834 655 L CB -0.185 41.870 42.059 -0.006 0.000 1.090 655 L HN 0.892 nan 8.230 nan 0.000 0.489 656 A N -0.873 121.859 122.820 -0.146 0.000 2.384 656 A HA 0.516 4.828 4.320 -0.012 0.000 0.312 656 A C -1.240 176.223 177.584 -0.202 0.000 1.113 656 A CA -0.623 51.330 52.037 -0.141 0.000 0.779 656 A CB 1.208 20.144 19.000 -0.108 0.000 1.307 656 A HN 0.059 nan 8.150 nan 0.000 0.436 657 D N -0.523 119.778 120.400 -0.165 0.000 2.529 657 D HA 0.582 5.215 4.640 -0.012 0.000 0.273 657 D C 0.484 176.693 176.300 -0.152 0.000 1.197 657 D CA 0.346 54.244 54.000 -0.169 0.000 1.070 657 D CB 1.801 42.524 40.800 -0.128 0.000 1.134 657 D HN 0.683 nan 8.370 nan 0.000 0.590 658 G N -0.657 108.066 108.800 -0.129 0.000 3.075 658 G HA2 0.369 4.322 3.960 -0.012 0.000 0.253 658 G HA3 0.369 4.322 3.960 -0.012 0.000 0.253 658 G C -1.998 172.844 174.900 -0.097 0.000 1.353 658 G CA -0.706 44.326 45.100 -0.113 0.000 1.051 658 G HN 0.172 nan 8.290 nan 0.000 0.553 659 P HA -0.107 nan 4.420 nan 0.000 0.213 659 P C 1.769 179.033 177.300 -0.061 0.000 1.176 659 P CA 2.699 65.751 63.100 -0.080 0.000 0.919 659 P CB 0.159 31.817 31.700 -0.070 0.000 0.791 660 A N -1.702 121.094 122.820 -0.040 0.000 2.275 660 A HA 0.136 4.449 4.320 -0.012 0.000 0.212 660 A C 0.883 178.465 177.584 -0.005 0.000 1.201 660 A CA 0.242 52.270 52.037 -0.015 0.000 0.843 660 A CB -0.672 18.333 19.000 0.007 0.000 0.873 660 A HN 0.102 nan 8.150 nan 0.000 0.492 661 S N 0.638 116.322 115.700 -0.027 0.000 2.481 661 S HA 0.180 4.643 4.470 -0.012 0.000 0.276 661 S C 0.779 175.353 174.600 -0.044 0.000 1.247 661 S CA -0.254 57.931 58.200 -0.023 0.000 1.053 661 S CB 1.425 64.589 63.200 -0.059 0.000 0.925 661 S HN 0.636 nan 8.310 nan 0.000 0.491 662 E N 3.460 123.643 120.200 -0.028 0.000 2.046 662 E HA 0.030 4.373 4.350 -0.012 0.000 0.199 662 E C 1.366 177.900 176.600 -0.110 0.000 0.948 662 E CA 0.162 56.524 56.400 -0.063 0.000 0.876 662 E CB -0.118 29.556 29.700 -0.043 0.000 0.901 662 E HN 0.718 nan 8.360 nan 0.000 0.479 663 N N -1.660 116.938 118.700 -0.171 0.000 2.325 663 N HA 0.037 4.770 4.740 -0.012 0.000 0.182 663 N C 0.712 176.085 175.510 -0.229 0.000 1.088 663 N CA 0.703 53.609 53.050 -0.240 0.000 0.879 663 N CB 0.910 39.171 38.487 -0.376 0.000 0.983 663 N HN 0.310 nan 8.380 nan 0.000 0.471 664 G N -0.326 108.385 108.800 -0.148 0.000 3.578 664 G HA2 -0.003 3.950 3.960 -0.012 0.000 0.220 664 G HA3 -0.003 3.950 3.960 -0.012 0.000 0.220 664 G C -0.143 174.906 174.900 0.249 0.000 0.933 664 G CA -0.608 44.492 45.100 0.000 0.000 0.847 664 G HN 0.137 nan 8.290 nan 0.000 0.612 665 F N 0.188 120.126 119.950 -0.020 0.000 2.380 665 F HA 0.638 5.158 4.527 -0.012 0.000 0.319 665 F C 0.513 176.298 175.800 -0.025 0.000 1.113 665 F CA -1.311 56.674 58.000 -0.026 0.000 1.056 665 F CB 1.218 40.192 39.000 -0.043 0.000 1.289 665 F HN -0.091 nan 8.300 nan 0.000 0.515 666 L N 2.348 123.663 121.223 0.153 0.000 2.407 666 L HA 0.275 4.608 4.340 -0.012 0.000 0.282 666 L C -0.091 176.848 176.870 0.115 0.000 1.110 666 L CA -0.070 54.820 54.840 0.084 0.000 0.863 666 L CB -0.244 41.830 42.059 0.025 0.000 1.207 666 L HN 0.518 nan 8.230 nan 0.000 0.454 667 A N 6.453 129.348 122.820 0.125 0.000 2.322 667 A HA 0.501 4.814 4.320 -0.012 0.000 0.327 667 A C 0.450 178.121 177.584 0.145 0.000 1.394 667 A CA -0.411 51.730 52.037 0.172 0.000 0.921 667 A CB 0.144 19.191 19.000 0.078 0.000 1.153 667 A HN 0.852 nan 8.150 nan 0.000 0.523 668 L N 2.012 123.391 121.223 0.261 0.000 2.638 668 L HA 0.327 4.660 4.340 -0.012 0.000 0.232 668 L C 1.310 178.129 176.870 -0.085 0.000 1.099 668 L CA 0.676 55.578 54.840 0.103 0.000 0.883 668 L CB 0.553 42.705 42.059 0.155 0.000 1.136 668 L HN 0.775 nan 8.230 nan 0.000 0.492 669 G N -0.861 107.771 108.800 -0.280 0.000 3.039 669 G HA2 0.497 4.450 3.960 -0.012 0.000 0.202 669 G HA3 0.497 4.450 3.960 -0.012 0.000 0.202 669 G C -1.353 173.259 174.900 -0.479 0.000 1.151 669 G CA -0.194 44.572 45.100 -0.557 0.000 0.836 669 G HN -0.010 nan 8.290 nan 0.000 0.598 670 Q N 0.565 120.084 119.800 -0.468 0.000 2.296 670 Q HA 0.213 4.546 4.340 -0.012 0.000 0.254 670 Q C -1.174 174.888 176.000 0.105 0.000 0.936 670 Q CA -0.484 55.166 55.803 -0.255 0.000 0.834 670 Q CB 2.006 30.342 28.738 -0.669 0.000 1.340 670 Q HN 0.637 nan 8.270 nan 0.000 0.428 671 N N 1.316 120.179 118.700 0.271 0.000 2.357 671 N HA 0.150 4.883 4.740 -0.012 0.000 0.257 671 N C -0.914 174.813 175.510 0.363 0.000 1.250 671 N CA 0.171 53.437 53.050 0.361 0.000 0.862 671 N CB 0.884 39.572 38.487 0.335 0.000 1.066 671 N HN 0.097 nan 8.380 nan 0.000 0.468 672 V N 3.067 123.177 119.914 0.327 0.000 2.969 672 V HA 0.191 4.304 4.120 -0.012 0.000 0.304 672 V C -0.963 175.262 176.094 0.217 0.000 1.192 672 V CA -0.897 61.581 62.300 0.296 0.000 0.962 672 V CB 2.201 34.233 31.823 0.348 0.000 1.045 672 V HN 0.469 nan 8.190 nan 0.000 0.428 673 L N 6.415 127.743 121.223 0.175 0.000 2.565 673 L HA 0.430 4.762 4.340 -0.012 0.000 0.275 673 L C -0.198 176.712 176.870 0.067 0.000 1.137 673 L CA 0.853 55.758 54.840 0.108 0.000 0.915 673 L CB 0.994 43.089 42.059 0.060 0.000 1.232 673 L HN 0.574 nan 8.230 nan 0.000 0.473 674 V N 5.463 125.416 119.914 0.065 0.000 2.630 674 V HA 0.913 5.026 4.120 -0.012 0.000 0.305 674 V C -0.179 175.929 176.094 0.023 0.000 1.046 674 V CA 0.038 62.363 62.300 0.041 0.000 0.934 674 V CB 1.729 33.585 31.823 0.055 0.000 1.003 674 V HN 0.916 nan 8.190 nan 0.000 0.451 675 A N 6.803 129.632 122.820 0.015 0.000 2.605 675 A HA 0.511 4.824 4.320 -0.012 0.000 0.293 675 A C -0.442 177.159 177.584 0.028 0.000 1.216 675 A CA -0.399 51.650 52.037 0.020 0.000 0.742 675 A CB 0.433 19.448 19.000 0.026 0.000 1.170 675 A HN 1.161 nan 8.150 nan 0.000 0.443 676 I N 5.000 125.583 120.570 0.023 0.000 2.471 676 I HA 0.407 4.570 4.170 -0.012 0.000 0.294 676 I C -0.050 176.087 176.117 0.033 0.000 1.123 676 I CA 0.417 61.730 61.300 0.022 0.000 1.336 676 I CB -0.353 37.649 38.000 0.003 0.000 1.430 676 I HN 0.774 nan 8.210 nan 0.000 0.533 677 M N 7.012 126.647 119.600 0.058 0.000 2.949 677 M HA 0.685 5.158 4.480 -0.012 0.000 0.270 677 M C -3.056 173.312 176.300 0.113 0.000 1.221 677 M CA -1.674 53.671 55.300 0.074 0.000 0.818 677 M CB 1.686 34.345 32.600 0.098 0.000 1.635 677 M HN -0.034 nan 8.290 nan 0.000 0.492 678 P HA 0.603 nan 4.420 nan 0.000 0.285 678 P C -1.692 175.742 177.300 0.224 0.000 1.269 678 P CA -0.205 62.969 63.100 0.123 0.000 0.844 678 P CB 0.833 32.555 31.700 0.037 0.000 1.094 679 F N -0.531 119.450 119.950 0.052 0.000 2.740 679 F HA 0.261 4.783 4.527 -0.007 0.000 0.357 679 F C 0.590 176.424 175.800 0.056 0.000 1.141 679 F CA -0.773 57.277 58.000 0.084 0.000 1.044 679 F CB 0.960 40.050 39.000 0.150 0.000 1.430 679 F HN 0.200 nan 8.300 nan 0.000 0.518 680 D N 1.075 121.400 120.400 -0.124 0.000 2.542 680 D HA 0.098 4.731 4.640 -0.012 0.000 0.242 680 D C 1.106 177.253 176.300 -0.256 0.000 1.207 680 D CA 1.179 55.076 54.000 -0.171 0.000 1.172 680 D CB -0.379 40.318 40.800 -0.171 0.000 1.126 680 D HN 0.845 nan 8.370 nan 0.000 0.500 681 G N 2.853 111.612 108.800 -0.069 0.000 2.280 681 G HA2 -0.361 3.592 3.960 -0.012 0.000 0.282 681 G HA3 -0.361 3.592 3.960 -0.012 0.000 0.282 681 G C 0.791 175.694 174.900 0.005 0.000 1.000 681 G CA 0.599 45.709 45.100 0.017 0.000 0.751 681 G HN 0.557 nan 8.290 nan 0.000 0.515 682 Y N 0.538 120.963 120.300 0.207 0.000 2.457 682 Y HA 0.070 4.613 4.550 -0.011 0.000 0.292 682 Y C 1.920 177.912 175.900 0.152 0.000 1.125 682 Y CA 1.108 59.312 58.100 0.173 0.000 1.254 682 Y CB 0.235 38.811 38.460 0.194 0.000 1.012 682 Y HN 0.558 nan 8.280 nan 0.000 0.555 683 N N -0.986 117.890 118.700 0.295 0.000 2.541 683 N HA -0.017 4.716 4.740 -0.012 0.000 0.297 683 N C 0.847 176.460 175.510 0.171 0.000 1.503 683 N CA -0.305 52.864 53.050 0.199 0.000 0.919 683 N CB -1.061 37.520 38.487 0.157 0.000 1.305 683 N HN 0.144 nan 8.380 nan 0.000 0.501 684 F N 1.679 121.663 119.950 0.057 0.000 2.005 684 F HA -0.208 4.312 4.527 -0.013 0.000 0.297 684 F C 1.989 177.801 175.800 0.021 0.000 1.175 684 F CA 1.942 59.957 58.000 0.024 0.000 1.192 684 F CB 0.235 39.240 39.000 0.007 0.000 0.953 684 F HN 0.112 nan 8.300 nan 0.000 0.504 685 E N -0.748 119.565 120.200 0.188 0.000 2.048 685 E HA -0.050 4.293 4.350 -0.012 0.000 0.193 685 E C 0.713 177.326 176.600 0.022 0.000 0.956 685 E CA 1.077 57.483 56.400 0.011 0.000 0.846 685 E CB -0.099 29.754 29.700 0.255 0.000 0.827 685 E HN 0.343 nan 8.360 nan 0.000 0.466 686 D N -0.455 119.994 120.400 0.082 0.000 2.582 686 D HA 0.266 4.899 4.640 -0.012 0.000 0.246 686 D C -0.429 175.907 176.300 0.060 0.000 1.334 686 D CA -0.088 53.942 54.000 0.050 0.000 0.805 686 D CB 0.836 41.661 40.800 0.040 0.000 1.087 686 D HN 0.067 nan 8.370 nan 0.000 0.499 687 A N 0.369 123.246 122.820 0.095 0.000 2.327 687 A HA 0.580 4.892 4.320 -0.012 0.000 0.255 687 A C 0.169 177.795 177.584 0.070 0.000 1.099 687 A CA 0.131 52.225 52.037 0.095 0.000 0.801 687 A CB 0.533 19.622 19.000 0.149 0.000 1.062 687 A HN 0.208 nan 8.150 nan 0.000 0.496 688 I N -0.168 120.432 120.570 0.050 0.000 2.686 688 I HA 0.440 4.603 4.170 -0.012 0.000 0.295 688 I C -0.871 175.246 176.117 -0.000 0.000 1.114 688 I CA -0.890 60.417 61.300 0.012 0.000 1.038 688 I CB 2.415 40.398 38.000 -0.029 0.000 1.238 688 I HN 0.513 nan 8.210 nan 0.000 0.420 689 V N 4.085 123.977 119.914 -0.038 0.000 2.628 689 V HA 0.646 4.759 4.120 -0.012 0.000 0.306 689 V C -0.506 175.502 176.094 -0.143 0.000 1.045 689 V CA -0.654 61.583 62.300 -0.104 0.000 0.905 689 V CB 2.035 33.759 31.823 -0.165 0.000 0.997 689 V HN 0.379 nan 8.190 nan 0.000 0.436 690 I N 1.818 122.299 120.570 -0.150 0.000 2.957 690 I HA 0.502 4.665 4.170 -0.012 0.000 0.310 690 I C 0.230 176.274 176.117 -0.122 0.000 1.063 690 I CA -0.576 60.649 61.300 -0.126 0.000 1.033 690 I CB 2.172 40.112 38.000 -0.101 0.000 1.230 690 I HN 0.796 nan 8.210 nan 0.000 0.447 691 S N 2.375 118.022 115.700 -0.087 0.000 2.415 691 S HA 0.110 4.573 4.470 -0.012 0.000 0.313 691 S C 1.082 175.654 174.600 -0.048 0.000 1.067 691 S CA -0.460 57.698 58.200 -0.071 0.000 1.099 691 S CB -0.167 62.999 63.200 -0.057 0.000 0.991 691 S HN 0.666 nan 8.310 nan 0.000 0.491 692 E N 2.814 122.986 120.200 -0.047 0.000 2.401 692 E HA -0.257 4.085 4.350 -0.012 0.000 0.204 692 E C 1.170 177.757 176.600 -0.022 0.000 1.036 692 E CA 1.245 57.628 56.400 -0.028 0.000 0.856 692 E CB 0.088 29.771 29.700 -0.028 0.000 0.770 692 E HN 0.746 nan 8.360 nan 0.000 0.527 693 E N 0.228 120.406 120.200 -0.037 0.000 2.268 693 E HA -0.088 4.255 4.350 -0.012 0.000 0.195 693 E C 1.858 178.413 176.600 -0.074 0.000 0.995 693 E CA 0.505 56.873 56.400 -0.053 0.000 0.836 693 E CB -0.076 29.584 29.700 -0.065 0.000 0.763 693 E HN 0.373 nan 8.360 nan 0.000 0.491 694 L N -0.368 120.827 121.223 -0.047 0.000 2.141 694 L HA -0.128 4.204 4.340 -0.012 0.000 0.209 694 L C 2.013 178.934 176.870 0.084 0.000 1.094 694 L CA 0.699 55.533 54.840 -0.009 0.000 0.763 694 L CB -0.227 41.905 42.059 0.121 0.000 0.908 694 L HN 0.248 nan 8.230 nan 0.000 0.437 695 L N -0.690 120.571 121.223 0.063 0.000 2.049 695 L HA -0.159 4.174 4.340 -0.012 0.000 0.203 695 L C 2.595 179.500 176.870 0.058 0.000 1.074 695 L CA 1.054 55.940 54.840 0.077 0.000 0.749 695 L CB -0.488 41.600 42.059 0.049 0.000 0.907 695 L HN 0.098 nan 8.230 nan 0.000 0.439 696 K N 0.868 121.283 120.400 0.024 0.000 2.077 696 K HA -0.206 4.106 4.320 -0.012 0.000 0.213 696 K C 0.734 177.352 176.600 0.030 0.000 1.051 696 K CA 1.485 57.782 56.287 0.016 0.000 0.929 696 K CB -0.353 32.143 32.500 -0.006 0.000 0.715 696 K HN 0.416 nan 8.250 nan 0.000 0.451 697 R N 1.822 122.338 120.500 0.027 0.000 2.565 697 R HA 0.181 4.514 4.340 -0.012 0.000 0.286 697 R C -1.331 175.086 176.300 0.194 0.000 1.256 697 R CA -0.379 55.764 56.100 0.073 0.000 1.238 697 R CB -0.198 30.098 30.300 -0.007 0.000 1.153 697 R HN -0.056 nan 8.270 nan 0.000 0.553 698 D N 2.531 123.023 120.400 0.153 0.000 6.521 698 D HA -0.196 4.437 4.640 -0.012 0.000 0.249 698 D C -0.298 176.130 176.300 0.213 0.000 1.546 698 D CA 0.751 54.842 54.000 0.152 0.000 1.189 698 D CB -0.230 40.626 40.800 0.093 0.000 1.515 698 D HN 0.446 nan 8.370 nan 0.000 0.872 699 F N -0.168 119.777 119.950 -0.008 0.000 2.231 699 F HA 0.136 4.656 4.527 -0.011 0.000 0.267 699 F C 1.311 177.011 175.800 -0.167 0.000 1.108 699 F CA 0.116 58.060 58.000 -0.092 0.000 1.098 699 F CB -0.454 38.514 39.000 -0.054 0.000 1.088 699 F HN 0.154 nan 8.300 nan 0.000 0.541 700 Y N 1.239 121.642 120.300 0.172 0.000 2.685 700 Y HA 0.097 4.640 4.550 -0.011 0.000 0.365 700 Y C 0.426 176.346 175.900 0.034 0.000 1.113 700 Y CA -0.274 57.858 58.100 0.053 0.000 1.470 700 Y CB -1.489 37.002 38.460 0.052 0.000 1.361 700 Y HN -0.097 nan 8.280 nan 0.000 0.490 701 T N -1.083 113.523 114.554 0.086 0.000 2.882 701 T HA 0.556 4.899 4.350 -0.012 0.000 0.287 701 T C 0.113 174.842 174.700 0.048 0.000 0.992 701 T CA -0.921 61.227 62.100 0.080 0.000 1.076 701 T CB 1.654 70.566 68.868 0.074 0.000 0.961 701 T HN 0.228 nan 8.240 nan 0.000 0.490 702 S N 1.341 117.085 115.700 0.074 0.000 2.549 702 S HA 0.664 5.127 4.470 -0.012 0.000 0.280 702 S C -0.702 173.966 174.600 0.114 0.000 1.109 702 S CA -1.102 57.143 58.200 0.075 0.000 0.905 702 S CB 1.009 64.259 63.200 0.084 0.000 1.081 702 S HN 0.680 nan 8.310 nan 0.000 0.477 703 I N 2.808 123.445 120.570 0.112 0.000 2.312 703 I HA 0.306 4.469 4.170 -0.012 0.000 0.291 703 I C -0.266 175.954 176.117 0.172 0.000 1.031 703 I CA -0.237 61.154 61.300 0.150 0.000 1.293 703 I CB 0.562 38.662 38.000 0.166 0.000 1.403 703 I HN 0.761 nan 8.210 nan 0.000 0.484 704 H N 6.100 125.228 119.070 0.097 0.000 2.524 704 H HA 0.652 5.201 4.556 -0.012 0.000 0.353 704 H C -1.151 174.239 175.328 0.103 0.000 1.136 704 H CA -0.435 55.667 56.048 0.091 0.000 1.193 704 H CB 1.485 31.309 29.762 0.105 0.000 1.558 704 H HN 0.361 nan 8.280 nan 0.000 0.515 705 I N 3.035 123.456 120.570 -0.248 0.000 2.509 705 I HA 0.299 4.462 4.170 -0.012 0.000 0.293 705 I C -0.423 175.627 176.117 -0.111 0.000 1.020 705 I CA -0.620 60.637 61.300 -0.071 0.000 1.088 705 I CB 1.958 39.951 38.000 -0.012 0.000 1.267 705 I HN 0.562 nan 8.210 nan 0.000 0.430 706 E N 4.029 124.243 120.200 0.023 0.000 2.227 706 E HA 0.572 4.915 4.350 -0.012 0.000 0.268 706 E C -0.955 175.553 176.600 -0.152 0.000 0.907 706 E CA -0.849 55.520 56.400 -0.051 0.000 0.786 706 E CB 1.724 31.465 29.700 0.069 0.000 1.191 706 E HN 0.412 nan 8.360 nan 0.000 0.411 707 R N 4.126 124.401 120.500 -0.376 0.000 2.352 707 R HA 0.270 4.603 4.340 -0.012 0.000 0.304 707 R C -1.199 174.898 176.300 -0.339 0.000 1.104 707 R CA -0.510 55.318 56.100 -0.453 0.000 0.991 707 R CB 0.187 30.027 30.300 -0.765 0.000 1.140 707 R HN 0.489 nan 8.270 nan 0.000 0.540 708 Y N 1.589 121.821 120.300 -0.113 0.000 2.304 708 Y HA 0.297 4.840 4.550 -0.012 0.000 0.328 708 Y C 0.512 176.397 175.900 -0.024 0.000 1.123 708 Y CA -0.288 57.784 58.100 -0.046 0.000 1.218 708 Y CB 1.043 39.493 38.460 -0.018 0.000 1.207 708 Y HN 0.509 nan 8.280 nan 0.000 0.495 709 E N 2.801 123.066 120.200 0.108 0.000 2.393 709 E HA 0.759 5.101 4.350 -0.012 0.000 0.273 709 E C -1.806 174.834 176.600 0.067 0.000 0.918 709 E CA -0.872 55.575 56.400 0.078 0.000 0.773 709 E CB 2.498 32.222 29.700 0.040 0.000 1.275 709 E HN 0.697 nan 8.360 nan 0.000 0.451 710 I N 1.447 122.050 120.570 0.056 0.000 2.842 710 I HA 0.316 4.479 4.170 -0.012 0.000 0.297 710 I C -1.737 174.401 176.117 0.035 0.000 1.380 710 I CA -0.376 60.949 61.300 0.042 0.000 1.018 710 I CB 1.997 40.019 38.000 0.038 0.000 1.311 710 I HN 0.625 nan 8.210 nan 0.000 0.439 711 E N 4.426 124.644 120.200 0.029 0.000 2.263 711 E HA 0.682 5.025 4.350 -0.012 0.000 0.264 711 E C -0.900 175.715 176.600 0.025 0.000 0.923 711 E CA -0.971 55.446 56.400 0.028 0.000 0.802 711 E CB 1.925 31.642 29.700 0.028 0.000 1.228 711 E HN 0.569 nan 8.360 nan 0.000 0.417 712 A N 2.659 125.494 122.820 0.026 0.000 3.000 712 A HA 0.199 4.512 4.320 -0.012 0.000 0.315 712 A C -0.117 177.488 177.584 0.036 0.000 1.434 712 A CA -0.566 51.487 52.037 0.028 0.000 1.108 712 A CB -0.287 18.729 19.000 0.027 0.000 1.171 712 A HN 0.417 nan 8.150 nan 0.000 0.524 713 R N 1.321 121.843 120.500 0.037 0.000 2.583 713 R HA -0.029 4.304 4.340 -0.012 0.000 0.274 713 R C -0.642 175.689 176.300 0.052 0.000 0.998 713 R CA 0.073 56.198 56.100 0.042 0.000 1.081 713 R CB 0.683 31.008 30.300 0.041 0.000 0.940 713 R HN 0.551 nan 8.270 nan 0.000 0.413 714 D N 2.849 123.276 120.400 0.046 0.000 2.639 714 D HA 0.062 4.695 4.640 -0.012 0.000 0.233 714 D C -0.448 175.879 176.300 0.045 0.000 1.161 714 D CA -0.134 53.895 54.000 0.048 0.000 1.003 714 D CB 0.315 41.137 40.800 0.037 0.000 1.034 714 D HN 0.327 nan 8.370 nan 0.000 0.514 715 T N 1.547 116.138 114.554 0.061 0.000 2.766 715 T HA 0.095 4.438 4.350 -0.012 0.000 0.295 715 T C 1.357 176.073 174.700 0.026 0.000 1.024 715 T CA -0.413 61.718 62.100 0.051 0.000 1.018 715 T CB 0.999 69.914 68.868 0.078 0.000 1.002 715 T HN 0.079 nan 8.240 nan 0.000 0.532 716 K N 0.815 121.218 120.400 0.006 0.000 2.437 716 K HA 0.277 4.590 4.320 -0.012 0.000 0.198 716 K C 0.921 177.483 176.600 -0.064 0.000 1.024 716 K CA 0.179 56.452 56.287 -0.022 0.000 1.148 716 K CB -0.192 32.298 32.500 -0.016 0.000 0.860 716 K HN 0.457 nan 8.250 nan 0.000 0.515 717 L N -0.446 120.735 121.223 -0.071 0.000 2.728 717 L HA 0.246 4.578 4.340 -0.012 0.000 0.238 717 L C 0.287 176.857 176.870 -0.500 0.000 1.143 717 L CA -0.307 54.422 54.840 -0.185 0.000 0.937 717 L CB 0.456 42.482 42.059 -0.055 0.000 1.225 717 L HN 0.189 nan 8.230 nan 0.000 0.507 718 G N 0.448 109.080 108.800 -0.281 0.000 2.957 718 G HA2 -0.045 3.908 3.960 -0.012 0.000 0.636 718 G HA3 -0.045 3.908 3.960 -0.012 0.000 0.636 718 G C -3.036 172.020 174.900 0.260 0.000 1.401 718 G CA -1.273 43.662 45.100 -0.275 0.000 0.941 718 G HN -0.208 nan 8.290 nan 0.000 0.610 719 P HA 0.138 nan 4.420 nan 0.000 0.266 719 P C 0.064 177.499 177.300 0.225 0.000 1.186 719 P CA 0.422 63.629 63.100 0.179 0.000 0.767 719 P CB 0.527 32.296 31.700 0.115 0.000 0.820 720 E N 2.725 123.001 120.200 0.126 0.000 2.200 720 E HA 0.206 4.549 4.350 -0.012 0.000 0.283 720 E C 0.069 176.686 176.600 0.028 0.000 1.015 720 E CA -0.323 56.114 56.400 0.062 0.000 0.819 720 E CB 0.881 30.608 29.700 0.044 0.000 1.081 720 E HN 0.294 nan 8.360 nan 0.000 0.397 721 R N 2.132 122.626 120.500 -0.011 0.000 2.674 721 R HA 0.501 4.834 4.340 -0.012 0.000 0.266 721 R C 0.239 176.526 176.300 -0.022 0.000 1.016 721 R CA -0.616 55.477 56.100 -0.011 0.000 1.062 721 R CB 1.212 31.498 30.300 -0.022 0.000 1.142 721 R HN 0.488 nan 8.270 nan 0.000 0.517 722 I N 1.439 122.001 120.570 -0.013 0.000 2.976 722 I HA 0.122 4.285 4.170 -0.012 0.000 0.328 722 I C -0.330 175.777 176.117 -0.016 0.000 1.396 722 I CA 0.046 61.338 61.300 -0.013 0.000 0.869 722 I CB 0.682 38.681 38.000 -0.002 0.000 2.156 722 I HN 0.568 nan 8.210 nan 0.000 0.595 723 T N 0.992 115.531 114.554 -0.025 0.000 2.849 723 T HA 0.270 4.613 4.350 -0.012 0.000 0.276 723 T C 0.809 175.493 174.700 -0.026 0.000 0.971 723 T CA -0.471 61.615 62.100 -0.024 0.000 0.949 723 T CB 1.317 70.168 68.868 -0.028 0.000 1.093 723 T HN 0.588 nan 8.240 nan 0.000 0.545 724 R N 0.836 121.322 120.500 -0.024 0.000 2.752 724 R HA 0.184 4.517 4.340 -0.012 0.000 0.279 724 R C -0.959 175.324 176.300 -0.027 0.000 1.212 724 R CA -0.310 55.776 56.100 -0.023 0.000 1.169 724 R CB -0.479 29.810 30.300 -0.019 0.000 1.286 724 R HN 0.484 nan 8.270 nan 0.000 0.564 725 D N 0.801 121.180 120.400 -0.034 0.000 2.392 725 D HA 0.178 4.811 4.640 -0.012 0.000 0.228 725 D C -0.111 176.163 176.300 -0.043 0.000 1.074 725 D CA -0.172 53.803 54.000 -0.041 0.000 0.838 725 D CB 1.376 42.145 40.800 -0.051 0.000 1.067 725 D HN 0.202 nan 8.370 nan 0.000 0.511 726 I N 3.435 123.984 120.570 -0.035 0.000 2.802 726 I HA 0.126 4.289 4.170 -0.012 0.000 0.307 726 I C -1.360 174.742 176.117 -0.026 0.000 1.232 726 I CA -1.705 59.581 61.300 -0.022 0.000 1.060 726 I CB 0.813 38.808 38.000 -0.009 0.000 1.866 726 I HN 0.068 nan 8.210 nan 0.000 0.568 727 P HA -0.275 nan 4.420 nan 0.000 0.228 727 P C 0.953 178.084 177.300 -0.282 0.000 1.156 727 P CA 1.764 64.766 63.100 -0.164 0.000 0.862 727 P CB -0.039 31.558 31.700 -0.172 0.000 0.756 728 H N -3.682 115.374 119.070 -0.023 0.000 2.311 728 H HA 0.195 4.744 4.556 -0.012 0.000 0.289 728 H C 1.695 177.014 175.328 -0.015 0.000 1.022 728 H CA 0.484 56.519 56.048 -0.020 0.000 1.416 728 H CB -0.368 29.378 29.762 -0.028 0.000 1.480 728 H HN -0.062 nan 8.280 nan 0.000 0.609 729 L N 0.600 121.896 121.223 0.123 0.000 2.262 729 L HA 0.125 4.458 4.340 -0.012 0.000 0.197 729 L C 0.911 177.803 176.870 0.036 0.000 1.073 729 L CA 0.764 55.645 54.840 0.068 0.000 0.800 729 L CB -0.318 41.769 42.059 0.047 0.000 0.987 729 L HN 0.209 nan 8.230 nan 0.000 0.470 730 S N -2.020 113.694 115.700 0.023 0.000 2.685 730 S HA 0.342 4.805 4.470 -0.012 0.000 0.282 730 S C 0.264 174.866 174.600 0.004 0.000 1.159 730 S CA -0.440 57.767 58.200 0.012 0.000 0.833 730 S CB 2.518 65.724 63.200 0.010 0.000 1.151 730 S HN 0.060 nan 8.310 nan 0.000 0.485 731 E N 0.781 120.982 120.200 0.001 0.000 2.364 731 E HA 0.341 4.684 4.350 -0.012 0.000 0.196 731 E C 1.770 178.368 176.600 -0.005 0.000 0.990 731 E CA 1.013 57.411 56.400 -0.003 0.000 0.886 731 E CB -0.509 29.189 29.700 -0.003 0.000 0.866 731 E HN 0.772 nan 8.360 nan 0.000 0.493 732 A N 0.618 123.437 122.820 -0.003 0.000 2.131 732 A HA 0.038 4.350 4.320 -0.012 0.000 0.220 732 A C 2.228 179.808 177.584 -0.008 0.000 1.158 732 A CA 1.659 53.694 52.037 -0.005 0.000 0.665 732 A CB -0.618 18.381 19.000 -0.002 0.000 0.795 732 A HN 0.362 nan 8.150 nan 0.000 0.460 733 A N -1.436 121.380 122.820 -0.007 0.000 2.147 733 A HA 0.353 4.666 4.320 -0.012 0.000 0.211 733 A C 1.749 179.324 177.584 -0.015 0.000 1.160 733 A CA 0.468 52.498 52.037 -0.011 0.000 0.781 733 A CB -0.072 18.924 19.000 -0.008 0.000 0.842 733 A HN 0.341 nan 8.150 nan 0.000 0.475 734 L N -0.401 120.814 121.223 -0.013 0.000 2.249 734 L HA 0.061 4.394 4.340 -0.012 0.000 0.207 734 L C 2.118 178.978 176.870 -0.017 0.000 1.090 734 L CA 0.898 55.729 54.840 -0.016 0.000 0.802 734 L CB -1.335 40.716 42.059 -0.014 0.000 0.947 734 L HN 0.425 nan 8.230 nan 0.000 0.453 735 R N 0.610 121.101 120.500 -0.015 0.000 2.496 735 R HA -0.311 4.022 4.340 -0.012 0.000 0.197 735 R C 1.630 177.919 176.300 -0.018 0.000 0.997 735 R CA 2.339 58.430 56.100 -0.015 0.000 0.715 735 R CB -0.853 29.438 30.300 -0.014 0.000 0.845 735 R HN 0.254 nan 8.270 nan 0.000 0.387 736 D N 0.549 120.936 120.400 -0.021 0.000 2.280 736 D HA -0.150 4.483 4.640 -0.012 0.000 0.206 736 D C 1.347 177.632 176.300 -0.025 0.000 0.988 736 D CA 0.815 54.800 54.000 -0.024 0.000 0.886 736 D CB -0.191 40.592 40.800 -0.028 0.000 0.914 736 D HN 0.229 nan 8.370 nan 0.000 0.473 737 L N 1.003 122.212 121.223 -0.024 0.000 2.798 737 L HA -0.067 4.266 4.340 -0.012 0.000 0.254 737 L C 1.047 177.904 176.870 -0.020 0.000 1.176 737 L CA -0.191 54.635 54.840 -0.023 0.000 0.991 737 L CB -0.124 41.921 42.059 -0.023 0.000 1.225 737 L HN -0.083 nan 8.230 nan 0.000 0.420 738 D N 0.772 121.160 120.400 -0.020 0.000 2.747 738 D HA -0.235 4.398 4.640 -0.012 0.000 0.232 738 D C 0.669 176.959 176.300 -0.017 0.000 1.154 738 D CA 1.387 55.376 54.000 -0.018 0.000 0.994 738 D CB -0.145 40.643 40.800 -0.019 0.000 1.368 738 D HN 0.328 nan 8.370 nan 0.000 0.520 739 E N 1.635 121.824 120.200 -0.017 0.000 2.565 739 E HA -0.089 4.254 4.350 -0.012 0.000 0.268 739 E C 0.091 176.682 176.600 -0.015 0.000 1.000 739 E CA 0.585 56.975 56.400 -0.016 0.000 0.964 739 E CB -0.009 29.681 29.700 -0.017 0.000 0.955 739 E HN 0.325 nan 8.360 nan 0.000 0.459 740 E N 1.066 121.259 120.200 -0.013 0.000 2.029 740 E HA 0.287 4.630 4.350 -0.012 0.000 0.276 740 E C 0.848 177.441 176.600 -0.011 0.000 1.163 740 E CA 0.368 56.761 56.400 -0.012 0.000 0.909 740 E CB 0.202 29.896 29.700 -0.011 0.000 1.046 740 E HN 0.724 nan 8.360 nan 0.000 0.406 741 G N 2.319 111.111 108.800 -0.013 0.000 2.992 741 G HA2 -0.269 3.684 3.960 -0.012 0.000 0.229 741 G HA3 -0.269 3.684 3.960 -0.012 0.000 0.229 741 G C 0.347 175.240 174.900 -0.011 0.000 1.969 741 G CA -0.204 44.889 45.100 -0.012 0.000 1.603 741 G HN 0.388 nan 8.290 nan 0.000 0.573 742 V N 1.758 121.666 119.914 -0.009 0.000 3.489 742 V HA 0.633 4.746 4.120 -0.012 0.000 0.297 742 V C 1.263 177.348 176.094 -0.015 0.000 1.071 742 V CA 0.044 62.339 62.300 -0.009 0.000 1.074 742 V CB 1.491 33.311 31.823 -0.005 0.000 1.188 742 V HN 0.948 nan 8.190 nan 0.000 0.458 743 V N 1.518 121.422 119.914 -0.016 0.000 2.716 743 V HA 0.475 4.588 4.120 -0.012 0.000 0.304 743 V C 0.465 176.545 176.094 -0.023 0.000 1.053 743 V CA -0.834 61.452 62.300 -0.023 0.000 0.984 743 V CB 1.606 33.410 31.823 -0.031 0.000 1.021 743 V HN 1.008 nan 8.190 nan 0.000 0.467 744 R N 5.395 125.879 120.500 -0.026 0.000 2.539 744 R HA 0.364 4.696 4.340 -0.012 0.000 0.275 744 R C -0.257 176.025 176.300 -0.031 0.000 1.077 744 R CA -0.640 55.443 56.100 -0.028 0.000 1.097 744 R CB 0.439 30.723 30.300 -0.027 0.000 1.018 744 R HN 0.538 nan 8.270 nan 0.000 0.483 745 I N 1.947 122.496 120.570 -0.035 0.000 2.836 745 I HA 0.041 4.204 4.170 -0.012 0.000 0.285 745 I C 1.389 177.481 176.117 -0.042 0.000 1.174 745 I CA 1.085 62.360 61.300 -0.042 0.000 1.405 745 I CB 0.244 38.213 38.000 -0.052 0.000 1.385 745 I HN 1.077 nan 8.210 nan 0.000 0.594 746 G N 4.606 113.379 108.800 -0.045 0.000 2.305 746 G HA2 -0.111 3.842 3.960 -0.012 0.000 0.287 746 G HA3 -0.111 3.842 3.960 -0.012 0.000 0.287 746 G C 0.240 175.119 174.900 -0.035 0.000 1.036 746 G CA 0.371 45.444 45.100 -0.044 0.000 0.887 746 G HN 1.093 nan 8.290 nan 0.000 0.505 747 A N -0.355 122.446 122.820 -0.032 0.000 2.303 747 A HA 0.755 5.068 4.320 -0.012 0.000 0.320 747 A C 0.185 177.751 177.584 -0.028 0.000 1.192 747 A CA -0.120 51.899 52.037 -0.029 0.000 0.821 747 A CB 0.901 19.883 19.000 -0.030 0.000 1.188 747 A HN 0.702 nan 8.150 nan 0.000 0.492 748 E N 1.479 121.665 120.200 -0.023 0.000 2.493 748 E HA 0.207 4.550 4.350 -0.012 0.000 0.255 748 E C -0.064 176.518 176.600 -0.029 0.000 0.999 748 E CA 0.388 56.775 56.400 -0.020 0.000 0.934 748 E CB 0.337 30.028 29.700 -0.014 0.000 0.940 748 E HN 0.816 nan 8.360 nan 0.000 0.473 749 V N 2.888 122.780 119.914 -0.036 0.000 2.225 749 V HA 0.379 4.492 4.120 -0.012 0.000 0.264 749 V C 0.228 176.291 176.094 -0.051 0.000 1.067 749 V CA -1.026 61.241 62.300 -0.056 0.000 0.903 749 V CB 0.398 32.166 31.823 -0.091 0.000 1.136 749 V HN 0.581 nan 8.190 nan 0.000 0.456 750 K N 3.783 124.163 120.400 -0.033 0.000 2.286 750 K HA 0.312 4.625 4.320 -0.012 0.000 0.256 750 K C -2.391 174.189 176.600 -0.033 0.000 0.999 750 K CA -1.250 55.023 56.287 -0.023 0.000 0.908 750 K CB 0.469 32.960 32.500 -0.014 0.000 0.981 750 K HN 0.400 nan 8.250 nan 0.000 0.500 751 P HA 0.058 nan 4.420 nan 0.000 0.271 751 P C -0.083 177.200 177.300 -0.028 0.000 1.216 751 P CA 0.658 63.742 63.100 -0.026 0.000 0.776 751 P CB 0.936 32.634 31.700 -0.002 0.000 0.881 752 G N 1.658 110.434 108.800 -0.041 0.000 2.232 752 G HA2 -0.178 3.775 3.960 -0.012 0.000 0.226 752 G HA3 -0.178 3.775 3.960 -0.012 0.000 0.226 752 G C 0.038 174.913 174.900 -0.042 0.000 0.996 752 G CA -0.280 44.798 45.100 -0.036 0.000 0.626 752 G HN 0.504 nan 8.290 nan 0.000 0.509 753 D N 0.813 121.183 120.400 -0.051 0.000 2.363 753 D HA 0.452 5.085 4.640 -0.012 0.000 0.240 753 D C 1.032 177.294 176.300 -0.064 0.000 1.236 753 D CA 0.001 53.969 54.000 -0.053 0.000 0.927 753 D CB 0.488 41.253 40.800 -0.058 0.000 1.150 753 D HN 0.152 nan 8.370 nan 0.000 0.458 754 I N 2.135 122.672 120.570 -0.055 0.000 2.282 754 I HA 0.084 4.247 4.170 -0.012 0.000 0.290 754 I C 1.129 177.206 176.117 -0.065 0.000 1.090 754 I CA -0.010 61.258 61.300 -0.054 0.000 1.231 754 I CB -0.071 37.907 38.000 -0.038 0.000 1.434 754 I HN 0.391 nan 8.210 nan 0.000 0.487 755 L N 4.810 125.979 121.223 -0.089 0.000 2.156 755 L HA 0.054 4.387 4.340 -0.012 0.000 0.208 755 L C 0.464 177.302 176.870 -0.053 0.000 1.095 755 L CA 1.073 55.853 54.840 -0.099 0.000 0.770 755 L CB 0.183 42.141 42.059 -0.168 0.000 0.914 755 L HN 0.365 nan 8.230 nan 0.000 0.439 756 V N -1.617 118.274 119.914 -0.039 0.000 3.048 756 V HA 0.572 4.685 4.120 -0.012 0.000 0.303 756 V C -0.185 175.896 176.094 -0.022 0.000 1.214 756 V CA -0.772 61.515 62.300 -0.021 0.000 0.984 756 V CB 1.852 33.673 31.823 -0.003 0.000 1.054 756 V HN 0.065 nan 8.190 nan 0.000 0.430 757 G N 1.758 110.546 108.800 -0.020 0.000 2.400 757 G HA2 0.832 4.784 3.960 -0.012 0.000 0.333 757 G HA3 0.832 4.784 3.960 -0.012 0.000 0.333 757 G C -0.983 173.902 174.900 -0.024 0.000 1.143 757 G CA -0.524 44.562 45.100 -0.024 0.000 0.914 757 G HN 0.755 nan 8.290 nan 0.000 0.480 758 R N -0.615 119.866 120.500 -0.032 0.000 2.752 758 R HA 0.720 5.052 4.340 -0.012 0.000 0.271 758 R C -1.529 174.734 176.300 -0.063 0.000 1.026 758 R CA -0.584 55.493 56.100 -0.038 0.000 0.901 758 R CB 2.126 32.411 30.300 -0.025 0.000 1.243 758 R HN 0.776 nan 8.270 nan 0.000 0.463 759 T N -0.557 113.943 114.554 -0.090 0.000 3.483 759 T HA 0.389 4.732 4.350 -0.012 0.000 0.329 759 T C -0.702 173.851 174.700 -0.246 0.000 1.014 759 T CA -0.726 61.278 62.100 -0.160 0.000 1.056 759 T CB 1.196 69.950 68.868 -0.190 0.000 1.090 759 T HN 0.624 nan 8.240 nan 0.000 0.460 760 S N 1.860 117.413 115.700 -0.244 0.000 2.798 760 S HA 0.878 5.341 4.470 -0.012 0.000 0.312 760 S C -0.903 173.452 174.600 -0.409 0.000 1.122 760 S CA -1.087 56.969 58.200 -0.239 0.000 0.949 760 S CB 0.704 63.890 63.200 -0.022 0.000 1.235 760 S HN 0.541 nan 8.310 nan 0.000 0.552 761 F N 1.672 121.628 119.950 0.010 0.000 2.334 761 F HA 0.525 5.045 4.527 -0.012 0.000 0.367 761 F C 1.485 177.292 175.800 0.011 0.000 1.115 761 F CA -1.056 56.950 58.000 0.010 0.000 1.116 761 F CB 1.009 40.014 39.000 0.009 0.000 1.230 761 F HN 0.832 nan 8.300 nan 0.000 0.484 762 K N 2.629 123.101 120.400 0.120 0.000 2.126 762 K HA -0.237 4.076 4.320 -0.012 0.000 0.224 762 K C 1.052 177.700 176.600 0.079 0.000 0.816 762 K CA 1.918 58.254 56.287 0.081 0.000 0.984 762 K CB -0.670 31.872 32.500 0.070 0.000 0.652 762 K HN 0.822 nan 8.250 nan 0.000 0.702 763 G N 0.043 108.891 108.800 0.080 0.000 2.444 763 G HA2 0.065 4.018 3.960 -0.012 0.000 0.268 763 G HA3 0.065 4.018 3.960 -0.012 0.000 0.268 763 G C 0.344 175.278 174.900 0.058 0.000 1.203 763 G CA -0.411 44.724 45.100 0.058 0.000 0.835 763 G HN 0.529 nan 8.290 nan 0.000 0.543 764 E N 0.995 121.220 120.200 0.041 0.000 2.026 764 E HA -0.156 4.187 4.350 -0.012 0.000 0.206 764 E C 1.635 178.249 176.600 0.024 0.000 1.028 764 E CA 2.022 58.442 56.400 0.033 0.000 0.845 764 E CB -0.061 29.654 29.700 0.024 0.000 0.772 764 E HN 0.397 nan 8.360 nan 0.000 0.462 765 S N -0.271 115.440 115.700 0.017 0.000 2.787 765 S HA 0.069 4.532 4.470 -0.012 0.000 0.255 765 S C -0.792 173.813 174.600 0.008 0.000 1.051 765 S CA -0.271 57.933 58.200 0.006 0.000 1.124 765 S CB 0.799 64.000 63.200 0.002 0.000 1.104 765 S HN 0.187 nan 8.310 nan 0.000 0.623 766 E N 0.378 120.588 120.200 0.018 0.000 2.372 766 E HA 0.582 4.925 4.350 -0.012 0.000 0.279 766 E C -2.925 173.691 176.600 0.028 0.000 0.946 766 E CA -1.660 54.752 56.400 0.019 0.000 0.769 766 E CB -0.285 29.423 29.700 0.014 0.000 1.230 766 E HN -0.189 nan 8.360 nan 0.000 0.442 767 P HA 0.295 nan 4.420 nan 0.000 0.273 767 P C -0.651 176.666 177.300 0.028 0.000 1.372 767 P CA -0.062 63.058 63.100 0.035 0.000 0.736 767 P CB 0.247 31.967 31.700 0.033 0.000 1.539 768 T N -1.663 112.906 114.554 0.026 0.000 3.933 768 T HA 0.174 4.516 4.350 -0.012 0.000 0.357 768 T C -2.518 172.194 174.700 0.019 0.000 1.077 768 T CA -0.603 61.509 62.100 0.020 0.000 1.082 768 T CB 1.395 70.274 68.868 0.019 0.000 1.158 768 T HN -0.033 nan 8.240 nan 0.000 0.472 769 P HA -0.136 nan 4.420 nan 0.000 0.210 769 P C 1.706 179.016 177.300 0.017 0.000 1.185 769 P CA 1.120 64.230 63.100 0.017 0.000 0.924 769 P CB 0.240 31.948 31.700 0.014 0.000 0.786 770 E N -0.250 119.958 120.200 0.013 0.000 2.108 770 E HA -0.278 4.065 4.350 -0.012 0.000 0.203 770 E C 2.008 178.615 176.600 0.011 0.000 1.022 770 E CA 1.513 57.920 56.400 0.011 0.000 0.823 770 E CB -0.734 28.970 29.700 0.006 0.000 0.744 770 E HN 0.497 nan 8.360 nan 0.000 0.456 771 E N 0.280 120.486 120.200 0.011 0.000 2.358 771 E HA -0.152 4.191 4.350 -0.012 0.000 0.195 771 E C 2.065 178.679 176.600 0.023 0.000 1.010 771 E CA 0.304 56.712 56.400 0.012 0.000 0.856 771 E CB 0.147 29.855 29.700 0.013 0.000 0.795 771 E HN -0.076 nan 8.360 nan 0.000 0.504 772 R N 0.650 121.165 120.500 0.025 0.000 2.070 772 R HA -0.132 4.201 4.340 -0.012 0.000 0.232 772 R C 2.317 178.640 176.300 0.037 0.000 1.138 772 R CA 1.449 57.567 56.100 0.031 0.000 0.936 772 R CB -0.944 29.372 30.300 0.027 0.000 0.839 772 R HN 0.292 nan 8.270 nan 0.000 0.429 773 L N 0.448 121.692 121.223 0.035 0.000 2.187 773 L HA -0.098 4.235 4.340 -0.012 0.000 0.213 773 L C 1.942 178.849 176.870 0.061 0.000 1.100 773 L CA 1.579 56.446 54.840 0.044 0.000 0.765 773 L CB -0.493 41.589 42.059 0.037 0.000 0.904 773 L HN 0.366 nan 8.230 nan 0.000 0.437 774 L N -0.910 120.341 121.223 0.046 0.000 2.072 774 L HA -0.099 4.233 4.340 -0.012 0.000 0.205 774 L C 2.509 179.416 176.870 0.062 0.000 1.079 774 L CA 1.470 56.333 54.840 0.039 0.000 0.752 774 L CB -0.808 41.242 42.059 -0.015 0.000 0.906 774 L HN 0.336 nan 8.230 nan 0.000 0.436 775 R N -0.276 120.258 120.500 0.057 0.000 2.148 775 R HA -0.012 4.321 4.340 -0.012 0.000 0.223 775 R C 2.243 178.610 176.300 0.111 0.000 1.088 775 R CA 1.133 57.279 56.100 0.077 0.000 0.985 775 R CB -0.422 29.913 30.300 0.059 0.000 0.880 775 R HN 0.407 nan 8.270 nan 0.000 0.451 776 S N 1.195 116.953 115.700 0.097 0.000 2.383 776 S HA 0.003 4.465 4.470 -0.012 0.000 0.227 776 S C 2.028 176.697 174.600 0.115 0.000 1.026 776 S CA 0.752 59.005 58.200 0.088 0.000 0.981 776 S CB -0.102 63.135 63.200 0.063 0.000 0.818 776 S HN 0.227 nan 8.310 nan 0.000 0.472 777 I N -0.082 120.590 120.570 0.170 0.000 2.454 777 I HA -0.128 4.035 4.170 -0.012 0.000 0.254 777 I C 1.043 177.267 176.117 0.178 0.000 1.156 777 I CA 1.264 62.676 61.300 0.186 0.000 1.433 777 I CB -0.201 37.963 38.000 0.273 0.000 1.082 777 I HN 0.218 nan 8.210 nan 0.000 0.432 778 F N 0.389 120.349 119.950 0.017 0.000 2.661 778 F HA 0.405 4.925 4.527 -0.012 0.000 0.306 778 F C 1.005 176.812 175.800 0.012 0.000 1.094 778 F CA -0.270 57.740 58.000 0.017 0.000 1.254 778 F CB 0.733 39.748 39.000 0.025 0.000 1.040 778 F HN 0.007 nan 8.300 nan 0.000 0.562 779 G N 1.055 109.951 108.800 0.159 0.000 2.445 779 G HA2 -0.118 3.835 3.960 -0.012 0.000 0.233 779 G HA3 -0.118 3.835 3.960 -0.012 0.000 0.233 779 G C 0.708 175.653 174.900 0.074 0.000 1.308 779 G CA -0.121 45.033 45.100 0.090 0.000 1.179 779 G HN 0.421 nan 8.290 nan 0.000 0.637 780 E N 0.311 120.550 120.200 0.065 0.000 2.301 780 E HA -0.232 4.111 4.350 -0.012 0.000 0.202 780 E C 1.326 177.947 176.600 0.036 0.000 1.017 780 E CA 1.271 57.702 56.400 0.051 0.000 0.831 780 E CB -0.111 29.615 29.700 0.043 0.000 0.742 780 E HN 0.563 nan 8.360 nan 0.000 0.491 781 K N 1.183 121.600 120.400 0.029 0.000 3.025 781 K HA 0.220 4.532 4.320 -0.012 0.000 0.260 781 K C -0.251 176.354 176.600 0.007 0.000 1.023 781 K CA 0.092 56.390 56.287 0.018 0.000 1.194 781 K CB 0.204 32.713 32.500 0.014 0.000 1.094 781 K HN 0.179 nan 8.250 nan 0.000 0.460 782 A N 1.861 124.686 122.820 0.008 0.000 2.395 782 A HA 0.084 4.397 4.320 -0.012 0.000 0.286 782 A C 0.153 177.719 177.584 -0.030 0.000 1.193 782 A CA -0.370 51.654 52.037 -0.022 0.000 0.852 782 A CB -0.049 18.945 19.000 -0.009 0.000 1.118 782 A HN 0.434 nan 8.150 nan 0.000 0.524 783 R N 2.665 123.132 120.500 -0.054 0.000 3.236 783 R HA -0.089 4.244 4.340 -0.012 0.000 0.350 783 R C -0.941 175.338 176.300 -0.036 0.000 0.770 783 R CA 0.197 56.270 56.100 -0.045 0.000 1.049 783 R CB -0.168 30.089 30.300 -0.073 0.000 0.909 783 R HN 0.614 nan 8.270 nan 0.000 0.381 784 D N 3.582 123.989 120.400 0.012 0.000 2.600 784 D HA 0.054 4.687 4.640 -0.012 0.000 0.226 784 D C -0.176 176.151 176.300 0.046 0.000 1.119 784 D CA 0.316 54.341 54.000 0.042 0.000 1.051 784 D CB 0.365 41.208 40.800 0.071 0.000 1.106 784 D HN 0.117 nan 8.370 nan 0.000 0.491 785 V N 0.490 120.385 119.914 -0.032 0.000 3.130 785 V HA 0.402 4.515 4.120 -0.012 0.000 0.310 785 V C -0.935 175.104 176.094 -0.091 0.000 1.158 785 V CA -0.924 61.289 62.300 -0.145 0.000 1.029 785 V CB 2.981 34.643 31.823 -0.268 0.000 1.057 785 V HN -0.008 nan 8.190 nan 0.000 0.436 786 K N 1.757 122.085 120.400 -0.120 0.000 2.164 786 K HA 0.404 4.717 4.320 -0.012 0.000 0.258 786 K C -1.026 175.538 176.600 -0.061 0.000 0.951 786 K CA -0.583 55.674 56.287 -0.051 0.000 0.844 786 K CB 1.178 33.662 32.500 -0.027 0.000 1.099 786 K HN 0.746 nan 8.250 nan 0.000 0.435 787 D N 2.277 122.665 120.400 -0.020 0.000 2.619 787 D HA -0.016 4.617 4.640 -0.012 0.000 0.224 787 D C -0.021 176.265 176.300 -0.024 0.000 1.133 787 D CA -0.199 53.788 54.000 -0.021 0.000 1.017 787 D CB -0.084 40.721 40.800 0.009 0.000 1.077 787 D HN 0.476 nan 8.370 nan 0.000 0.503 788 T N -0.799 113.734 114.554 -0.034 0.000 3.418 788 T HA 0.213 4.556 4.350 -0.012 0.000 0.239 788 T C 0.455 175.142 174.700 -0.021 0.000 0.905 788 T CA -0.704 61.381 62.100 -0.024 0.000 0.929 788 T CB -0.462 68.395 68.868 -0.020 0.000 1.121 788 T HN -0.001 nan 8.240 nan 0.000 0.608 789 S N 2.159 117.846 115.700 -0.023 0.000 2.549 789 S HA 0.357 4.820 4.470 -0.012 0.000 0.279 789 S C 0.202 174.792 174.600 -0.017 0.000 1.321 789 S CA -0.861 57.327 58.200 -0.021 0.000 1.054 789 S CB 0.470 63.655 63.200 -0.024 0.000 0.899 789 S HN 0.636 nan 8.310 nan 0.000 0.497 790 L N 5.502 126.718 121.223 -0.011 0.000 2.477 790 L HA 0.261 4.594 4.340 -0.012 0.000 0.272 790 L C 0.081 176.936 176.870 -0.026 0.000 1.157 790 L CA 0.685 55.523 54.840 -0.004 0.000 0.889 790 L CB -0.107 41.962 42.059 0.016 0.000 1.158 790 L HN 0.499 nan 8.230 nan 0.000 0.473 791 R N 3.705 124.187 120.500 -0.030 0.000 2.873 791 R HA 0.519 4.852 4.340 -0.012 0.000 0.264 791 R C -1.004 175.249 176.300 -0.079 0.000 1.026 791 R CA -1.135 54.929 56.100 -0.059 0.000 1.002 791 R CB 0.895 31.165 30.300 -0.050 0.000 1.174 791 R HN 0.418 nan 8.270 nan 0.000 0.488 792 V N 3.717 123.556 119.914 -0.126 0.000 2.458 792 V HA 0.057 4.170 4.120 -0.012 0.000 0.287 792 V C -1.869 174.195 176.094 -0.049 0.000 1.009 792 V CA -0.896 61.311 62.300 -0.155 0.000 1.091 792 V CB 0.096 31.823 31.823 -0.160 0.000 0.960 792 V HN 0.528 nan 8.190 nan 0.000 0.476 793 P HA 0.125 nan 4.420 nan 0.000 0.265 793 P C -2.443 174.833 177.300 -0.041 0.000 1.187 793 P CA -0.779 62.319 63.100 -0.004 0.000 0.766 793 P CB -0.145 31.607 31.700 0.085 0.000 0.820 794 P HA 0.106 nan 4.420 nan 0.000 0.269 794 P C 0.915 178.244 177.300 0.049 0.000 1.211 794 P CA 1.140 64.204 63.100 -0.060 0.000 0.781 794 P CB 0.182 31.791 31.700 -0.152 0.000 0.877 795 G N 0.513 109.377 108.800 0.107 0.000 2.955 795 G HA2 -0.093 3.860 3.960 -0.012 0.000 0.230 795 G HA3 -0.093 3.860 3.960 -0.012 0.000 0.230 795 G C -0.783 174.155 174.900 0.064 0.000 1.587 795 G CA -0.332 44.835 45.100 0.110 0.000 1.216 795 G HN 0.534 nan 8.290 nan 0.000 0.527 796 E N -0.186 120.057 120.200 0.071 0.000 2.460 796 E HA 0.649 4.992 4.350 -0.012 0.000 0.277 796 E C -0.303 176.351 176.600 0.090 0.000 1.010 796 E CA 0.128 56.565 56.400 0.063 0.000 0.838 796 E CB 1.449 31.183 29.700 0.057 0.000 1.448 796 E HN 1.848 nan 8.360 nan 0.000 0.462 797 G N -0.978 107.863 108.800 0.067 0.000 2.717 797 G HA2 0.475 4.428 3.960 -0.012 0.000 0.300 797 G HA3 0.475 4.428 3.960 -0.012 0.000 0.300 797 G C -0.071 174.854 174.900 0.041 0.000 1.424 797 G CA -0.051 45.088 45.100 0.065 0.000 1.033 797 G HN 0.476 nan 8.290 nan 0.000 0.577 798 G N 0.903 109.743 108.800 0.067 0.000 3.056 798 G HA2 0.543 4.496 3.960 -0.012 0.000 0.175 798 G HA3 0.543 4.496 3.960 -0.012 0.000 0.175 798 G C 0.434 175.345 174.900 0.017 0.000 1.894 798 G CA 0.817 45.946 45.100 0.050 0.000 0.910 798 G HN 1.421 nan 8.290 nan 0.000 0.462 799 I N -0.785 119.795 120.570 0.018 0.000 2.647 799 I HA 0.562 4.725 4.170 -0.012 0.000 0.295 799 I C -0.369 175.748 176.117 -0.001 0.000 1.078 799 I CA -1.365 59.932 61.300 -0.005 0.000 1.048 799 I CB 1.354 39.345 38.000 -0.014 0.000 1.239 799 I HN 0.152 nan 8.210 nan 0.000 0.421 800 V N 6.103 126.009 119.914 -0.013 0.000 2.557 800 V HA 0.049 4.162 4.120 -0.012 0.000 0.301 800 V C 1.472 177.557 176.094 -0.014 0.000 1.026 800 V CA 0.583 62.882 62.300 -0.003 0.000 1.137 800 V CB 0.828 32.642 31.823 -0.016 0.000 0.917 800 V HN 0.763 nan 8.190 nan 0.000 0.484 801 V N 2.018 121.933 119.914 0.002 0.000 3.432 801 V HA 0.551 4.664 4.120 -0.012 0.000 0.298 801 V C 0.373 176.426 176.094 -0.069 0.000 1.464 801 V CA 0.078 62.352 62.300 -0.043 0.000 1.046 801 V CB -0.235 31.566 31.823 -0.037 0.000 0.887 801 V HN 0.924 nan 8.190 nan 0.000 0.441 802 R N 0.534 121.000 120.500 -0.055 0.000 4.498 802 R HA 0.407 4.740 4.340 -0.012 0.000 0.244 802 R C -1.218 175.006 176.300 -0.127 0.000 0.975 802 R CA 0.591 56.612 56.100 -0.132 0.000 1.233 802 R CB 0.879 31.040 30.300 -0.233 0.000 1.221 802 R HN 0.528 nan 8.270 nan 0.000 0.619 803 T N -0.417 114.063 114.554 -0.124 0.000 2.916 803 T HA 0.779 5.122 4.350 -0.012 0.000 0.292 803 T C -1.024 173.613 174.700 -0.105 0.000 1.064 803 T CA -0.682 61.376 62.100 -0.069 0.000 1.011 803 T CB 2.093 70.953 68.868 -0.013 0.000 1.152 803 T HN 0.225 nan 8.240 nan 0.000 0.510 804 V N 1.559 121.447 119.914 -0.044 0.000 2.612 804 V HA 0.582 4.695 4.120 -0.012 0.000 0.301 804 V C 0.005 176.104 176.094 0.008 0.000 1.059 804 V CA -0.897 61.380 62.300 -0.038 0.000 0.886 804 V CB 1.665 33.461 31.823 -0.047 0.000 1.007 804 V HN 0.977 nan 8.190 nan 0.000 0.426 805 R N 3.149 123.648 120.500 -0.001 0.000 2.700 805 R HA 0.827 5.160 4.340 -0.012 0.000 0.253 805 R C -0.809 175.496 176.300 0.009 0.000 1.091 805 R CA -0.783 55.323 56.100 0.009 0.000 1.104 805 R CB 1.389 31.691 30.300 0.003 0.000 1.202 805 R HN 0.650 nan 8.270 nan 0.000 0.532 806 L N 2.696 123.926 121.223 0.013 0.000 2.567 806 L HA 0.189 4.522 4.340 -0.012 0.000 0.294 806 L C -0.052 176.827 176.870 0.014 0.000 1.365 806 L CA -0.412 54.436 54.840 0.012 0.000 0.669 806 L CB 0.609 42.676 42.059 0.014 0.000 0.989 806 L HN 0.667 nan 8.230 nan 0.000 0.519 807 R N -0.310 120.198 120.500 0.013 0.000 3.372 807 R HA 0.263 4.595 4.340 -0.012 0.000 0.245 807 R C 0.406 176.716 176.300 0.016 0.000 1.061 807 R CA -0.461 55.648 56.100 0.015 0.000 1.113 807 R CB 0.177 30.485 30.300 0.012 0.000 0.921 807 R HN 0.120 nan 8.270 nan 0.000 0.485 808 R N -0.614 119.896 120.500 0.017 0.000 2.827 808 R HA 0.160 4.493 4.340 -0.012 0.000 0.269 808 R C 0.438 176.749 176.300 0.018 0.000 1.048 808 R CA 1.020 57.131 56.100 0.018 0.000 1.173 808 R CB 0.073 30.384 30.300 0.018 0.000 1.070 808 R HN 0.932 nan 8.270 nan 0.000 0.498 809 G N 2.016 110.828 108.800 0.020 0.000 2.289 809 G HA2 -0.206 3.747 3.960 -0.012 0.000 0.280 809 G HA3 -0.206 3.747 3.960 -0.012 0.000 0.280 809 G C -0.583 174.332 174.900 0.024 0.000 1.089 809 G CA -0.184 44.929 45.100 0.022 0.000 0.939 809 G HN 0.649 nan 8.290 nan 0.000 0.499 810 D N 0.258 120.673 120.400 0.025 0.000 2.412 810 D HA 0.192 4.825 4.640 -0.012 0.000 0.257 810 D C -0.045 176.276 176.300 0.035 0.000 1.217 810 D CA -0.449 53.567 54.000 0.026 0.000 0.897 810 D CB 1.003 41.817 40.800 0.024 0.000 1.132 810 D HN 0.202 nan 8.370 nan 0.000 0.493 811 P HA -0.092 nan 4.420 nan 0.000 0.213 811 P C 1.000 178.351 177.300 0.085 0.000 1.176 811 P CA 1.318 64.452 63.100 0.057 0.000 0.919 811 P CB 0.354 32.085 31.700 0.052 0.000 0.791 812 G N -2.636 106.205 108.800 0.068 0.000 4.189 812 G HA2 0.216 4.169 3.960 -0.012 0.000 0.220 812 G HA3 0.216 4.169 3.960 -0.012 0.000 0.220 812 G C 0.296 175.183 174.900 -0.023 0.000 1.071 812 G CA 0.233 45.385 45.100 0.085 0.000 0.854 812 G HN 0.365 nan 8.290 nan 0.000 0.426 813 V N -0.702 119.196 119.914 -0.026 0.000 4.012 813 V HA 0.502 4.615 4.120 -0.012 0.000 0.284 813 V C 0.356 176.432 176.094 -0.029 0.000 1.020 813 V CA 0.813 63.085 62.300 -0.047 0.000 1.039 813 V CB 0.719 32.530 31.823 -0.020 0.000 1.203 813 V HN 0.528 nan 8.190 nan 0.000 0.456 814 E N -0.542 119.645 120.200 -0.021 0.000 3.711 814 E HA 0.333 4.676 4.350 -0.012 0.000 0.267 814 E C -1.370 175.233 176.600 0.004 0.000 1.198 814 E CA -0.789 55.609 56.400 -0.005 0.000 1.150 814 E CB 0.340 30.033 29.700 -0.012 0.000 1.297 814 E HN 0.417 nan 8.360 nan 0.000 0.399 815 L N 2.334 123.563 121.223 0.010 0.000 2.559 815 L HA 0.104 4.437 4.340 -0.012 0.000 0.274 815 L C 0.680 177.561 176.870 0.018 0.000 1.205 815 L CA 0.748 55.597 54.840 0.015 0.000 0.907 815 L CB -0.104 41.966 42.059 0.018 0.000 1.153 815 L HN 0.265 nan 8.230 nan 0.000 0.490 816 K N 4.759 125.171 120.400 0.019 0.000 2.234 816 K HA 0.134 4.447 4.320 -0.012 0.000 0.251 816 K C -2.126 174.487 176.600 0.023 0.000 1.011 816 K CA -1.280 55.020 56.287 0.021 0.000 0.889 816 K CB -0.257 32.256 32.500 0.022 0.000 1.011 816 K HN 0.372 nan 8.250 nan 0.000 0.505 817 P HA 0.037 nan 4.420 nan 0.000 0.269 817 P C 0.193 177.508 177.300 0.024 0.000 1.263 817 P CA 0.657 63.771 63.100 0.023 0.000 0.813 817 P CB 0.442 32.155 31.700 0.022 0.000 0.868 818 G N 1.958 110.772 108.800 0.024 0.000 2.231 818 G HA2 -0.183 3.770 3.960 -0.012 0.000 0.206 818 G HA3 -0.183 3.770 3.960 -0.012 0.000 0.206 818 G C -0.042 174.875 174.900 0.028 0.000 0.996 818 G CA -0.472 44.644 45.100 0.026 0.000 0.645 818 G HN 0.449 nan 8.290 nan 0.000 0.498 819 V N 2.186 122.115 119.914 0.026 0.000 2.372 819 V HA 0.395 4.508 4.120 -0.012 0.000 0.261 819 V C 1.592 177.702 176.094 0.026 0.000 1.055 819 V CA 0.634 62.950 62.300 0.026 0.000 0.930 819 V CB 1.075 32.913 31.823 0.024 0.000 1.031 819 V HN 0.441 nan 8.190 nan 0.000 0.479 820 R N 3.658 124.175 120.500 0.028 0.000 2.127 820 R HA 0.079 4.412 4.340 -0.012 0.000 0.217 820 R C 0.241 176.556 176.300 0.024 0.000 1.074 820 R CA 1.046 57.162 56.100 0.027 0.000 0.991 820 R CB 0.517 30.836 30.300 0.031 0.000 0.895 820 R HN 0.918 nan 8.270 nan 0.000 0.450 821 E N -0.817 119.398 120.200 0.024 0.000 2.472 821 E HA 0.196 4.539 4.350 -0.012 0.000 0.290 821 E C -1.264 175.351 176.600 0.025 0.000 1.059 821 E CA -0.930 55.484 56.400 0.022 0.000 0.861 821 E CB 1.189 30.902 29.700 0.021 0.000 1.213 821 E HN -0.010 nan 8.360 nan 0.000 0.425 822 V N -0.235 119.695 119.914 0.026 0.000 2.769 822 V HA 0.892 5.005 4.120 -0.012 0.000 0.312 822 V C -0.531 175.585 176.094 0.038 0.000 1.058 822 V CA -0.580 61.740 62.300 0.032 0.000 0.952 822 V CB 1.605 33.449 31.823 0.034 0.000 1.019 822 V HN 0.585 nan 8.190 nan 0.000 0.445 823 V N 3.867 123.809 119.914 0.047 0.000 2.914 823 V HA 0.716 4.829 4.120 -0.012 0.000 0.314 823 V C -0.203 175.946 176.094 0.091 0.000 1.084 823 V CA -0.799 61.535 62.300 0.057 0.000 0.963 823 V CB 2.310 34.159 31.823 0.044 0.000 1.025 823 V HN 1.030 nan 8.190 nan 0.000 0.432 824 R N 1.709 122.284 120.500 0.125 0.000 2.574 824 R HA 0.730 5.063 4.340 -0.012 0.000 0.288 824 R C -1.738 174.717 176.300 0.257 0.000 1.004 824 R CA -0.631 55.603 56.100 0.223 0.000 0.895 824 R CB 2.473 33.003 30.300 0.382 0.000 1.191 824 R HN 0.467 nan 8.270 nan 0.000 0.444 825 V N 4.129 124.211 119.914 0.280 0.000 2.315 825 V HA 0.239 4.352 4.120 -0.012 0.000 0.265 825 V C -0.851 175.453 176.094 0.350 0.000 1.019 825 V CA -0.957 61.489 62.300 0.244 0.000 0.824 825 V CB -0.066 31.819 31.823 0.104 0.000 1.072 825 V HN 0.591 nan 8.190 nan 0.000 0.448 826 Y N 2.120 122.467 120.300 0.080 0.000 2.610 826 Y HA 0.359 4.902 4.550 -0.012 0.000 0.332 826 Y C 0.515 176.471 175.900 0.094 0.000 1.201 826 Y CA -0.094 58.062 58.100 0.093 0.000 1.465 826 Y CB 0.561 39.037 38.460 0.027 0.000 1.283 826 Y HN 0.319 nan 8.280 nan 0.000 0.563 827 V N 2.052 122.121 119.914 0.259 0.000 2.914 827 V HA 0.899 5.011 4.120 -0.012 0.000 0.314 827 V C -0.355 175.836 176.094 0.162 0.000 1.084 827 V CA -1.256 61.154 62.300 0.183 0.000 0.963 827 V CB 1.920 33.846 31.823 0.173 0.000 1.025 827 V HN 0.859 nan 8.190 nan 0.000 0.432 828 A N 3.268 126.158 122.820 0.117 0.000 2.386 828 A HA 0.915 5.228 4.320 -0.012 0.000 0.311 828 A C -0.917 176.734 177.584 0.111 0.000 1.068 828 A CA -0.649 51.457 52.037 0.116 0.000 0.743 828 A CB 1.853 20.907 19.000 0.090 0.000 1.258 828 A HN 0.926 nan 8.150 nan 0.000 0.429 829 Q N 0.886 120.771 119.800 0.141 0.000 2.345 829 Q HA 0.496 4.829 4.340 -0.012 0.000 0.275 829 Q C -0.962 175.118 176.000 0.133 0.000 1.063 829 Q CA -0.910 54.968 55.803 0.125 0.000 0.819 829 Q CB 2.093 30.909 28.738 0.129 0.000 1.356 829 Q HN 0.554 nan 8.270 nan 0.000 0.418 830 K N 2.667 123.128 120.400 0.102 0.000 2.758 830 K HA 0.121 4.434 4.320 -0.012 0.000 0.250 830 K C -0.668 175.989 176.600 0.095 0.000 1.268 830 K CA -0.425 55.922 56.287 0.100 0.000 1.228 830 K CB 0.256 32.804 32.500 0.079 0.000 1.715 830 K HN 0.544 nan 8.250 nan 0.000 0.334 831 R N 2.585 123.151 120.500 0.110 0.000 2.614 831 R HA -0.079 4.254 4.340 -0.012 0.000 0.335 831 R C 0.060 176.416 176.300 0.093 0.000 0.859 831 R CA 0.730 56.889 56.100 0.098 0.000 1.123 831 R CB -0.130 30.233 30.300 0.105 0.000 0.887 831 R HN 0.355 nan 8.270 nan 0.000 0.407 832 K N 1.429 121.879 120.400 0.083 0.000 2.127 832 K HA 0.255 4.568 4.320 -0.012 0.000 0.240 832 K C 0.127 176.781 176.600 0.091 0.000 1.024 832 K CA -0.987 55.352 56.287 0.087 0.000 0.918 832 K CB 0.561 33.105 32.500 0.072 0.000 1.108 832 K HN 0.149 nan 8.250 nan 0.000 0.485 833 L N 2.708 123.993 121.223 0.104 0.000 2.369 833 L HA 0.064 4.397 4.340 -0.012 0.000 0.279 833 L C -0.565 176.337 176.870 0.054 0.000 1.108 833 L CA 0.789 55.684 54.840 0.091 0.000 0.852 833 L CB -0.143 41.991 42.059 0.125 0.000 1.169 833 L HN 0.538 nan 8.230 nan 0.000 0.452 834 Q N 3.454 123.281 119.800 0.044 0.000 2.501 834 Q HA 0.503 4.836 4.340 -0.012 0.000 0.288 834 Q C -0.688 175.323 176.000 0.019 0.000 1.051 834 Q CA -1.135 54.683 55.803 0.026 0.000 0.788 834 Q CB 1.632 30.386 28.738 0.028 0.000 1.469 834 Q HN 0.382 nan 8.270 nan 0.000 0.416 835 V N 0.986 120.901 119.914 0.002 0.000 3.239 835 V HA 0.139 4.252 4.120 -0.012 0.000 0.297 835 V C 1.302 177.406 176.094 0.017 0.000 1.206 835 V CA 2.689 64.989 62.300 -0.000 0.000 1.325 835 V CB 0.114 31.933 31.823 -0.008 0.000 0.981 835 V HN 1.237 nan 8.190 nan 0.000 0.513 836 G N 3.278 112.090 108.800 0.021 0.000 2.205 836 G HA2 -0.235 3.718 3.960 -0.012 0.000 0.261 836 G HA3 -0.235 3.718 3.960 -0.012 0.000 0.261 836 G C 0.125 175.080 174.900 0.092 0.000 0.980 836 G CA 0.515 45.633 45.100 0.030 0.000 0.632 836 G HN 1.049 nan 8.290 nan 0.000 0.533 837 D N 0.982 121.436 120.400 0.091 0.000 2.340 837 D HA 0.585 5.218 4.640 -0.012 0.000 0.251 837 D C 0.621 176.928 176.300 0.011 0.000 1.080 837 D CA -0.276 53.794 54.000 0.115 0.000 0.971 837 D CB 0.670 41.508 40.800 0.063 0.000 1.137 837 D HN 0.541 nan 8.370 nan 0.000 0.475 838 K N 1.178 121.541 120.400 -0.062 0.000 2.259 838 K HA 0.688 5.000 4.320 -0.012 0.000 0.252 838 K C -0.634 175.902 176.600 -0.106 0.000 0.936 838 K CA -0.857 55.389 56.287 -0.070 0.000 0.810 838 K CB 1.766 34.235 32.500 -0.051 0.000 1.143 838 K HN 0.291 nan 8.250 nan 0.000 0.427 839 L N 0.442 121.608 121.223 -0.096 0.000 2.277 839 L HA 0.926 5.259 4.340 -0.012 0.000 0.254 839 L C -0.838 175.992 176.870 -0.067 0.000 1.044 839 L CA -1.360 53.411 54.840 -0.115 0.000 0.842 839 L CB 2.188 44.130 42.059 -0.194 0.000 1.422 839 L HN 0.998 nan 8.230 nan 0.000 0.422 840 A N 0.671 123.456 122.820 -0.057 0.000 2.581 840 A HA 0.438 4.751 4.320 -0.012 0.000 0.294 840 A C -1.863 175.717 177.584 -0.006 0.000 1.035 840 A CA -0.811 51.215 52.037 -0.018 0.000 0.684 840 A CB 1.311 20.308 19.000 -0.005 0.000 1.282 840 A HN 0.864 nan 8.150 nan 0.000 0.417 841 N N -0.088 118.632 118.700 0.034 0.000 2.483 841 N HA 0.489 5.222 4.740 -0.012 0.000 0.285 841 N C 0.046 175.574 175.510 0.031 0.000 1.210 841 N CA -0.973 52.114 53.050 0.061 0.000 0.931 841 N CB 1.342 39.901 38.487 0.120 0.000 1.220 841 N HN 0.611 nan 8.380 nan 0.000 0.542 842 R N -0.442 120.041 120.500 -0.027 0.000 2.377 842 R HA -0.035 4.298 4.340 -0.012 0.000 0.207 842 R C 0.535 176.738 176.300 -0.163 0.000 1.075 842 R CA 0.730 56.765 56.100 -0.109 0.000 1.035 842 R CB -0.398 29.806 30.300 -0.160 0.000 0.857 842 R HN 0.577 nan 8.270 nan 0.000 0.475 843 H N -1.613 117.505 119.070 0.080 0.000 2.654 843 H HA 0.229 4.779 4.556 -0.011 0.000 0.264 843 H C 1.474 176.832 175.328 0.050 0.000 0.954 843 H CA 0.918 57.007 56.048 0.068 0.000 1.199 843 H CB 1.359 31.171 29.762 0.082 0.000 1.446 843 H HN 0.427 nan 8.280 nan 0.000 0.516 844 G N 1.275 110.159 108.800 0.140 0.000 2.205 844 G HA2 -0.253 3.700 3.960 -0.012 0.000 0.180 844 G HA3 -0.253 3.700 3.960 -0.012 0.000 0.180 844 G C 0.193 175.134 174.900 0.069 0.000 1.004 844 G CA -0.130 45.023 45.100 0.088 0.000 0.670 844 G HN 0.308 nan 8.290 nan 0.000 0.496 845 N N 1.189 119.937 118.700 0.080 0.000 2.549 845 N HA 0.179 4.912 4.740 -0.012 0.000 0.267 845 N C 0.031 175.561 175.510 0.033 0.000 1.182 845 N CA 0.274 53.355 53.050 0.052 0.000 1.019 845 N CB 0.229 38.751 38.487 0.058 0.000 1.380 845 N HN 0.554 nan 8.380 nan 0.000 0.505 846 K N 2.128 122.542 120.400 0.024 0.000 2.234 846 K HA 0.515 4.828 4.320 -0.012 0.000 0.277 846 K C -0.409 176.195 176.600 0.007 0.000 1.038 846 K CA -0.646 55.648 56.287 0.011 0.000 0.888 846 K CB 0.593 33.100 32.500 0.013 0.000 1.091 846 K HN 0.507 nan 8.250 nan 0.000 0.467 847 G N 1.734 110.531 108.800 -0.005 0.000 2.660 847 G HA2 0.464 4.416 3.960 -0.012 0.000 0.294 847 G HA3 0.464 4.416 3.960 -0.012 0.000 0.294 847 G C -1.636 173.258 174.900 -0.010 0.000 1.369 847 G CA -0.566 44.534 45.100 -0.000 0.000 0.912 847 G HN 0.411 nan 8.290 nan 0.000 0.479 848 V N 1.143 121.061 119.914 0.007 0.000 2.398 848 V HA 0.289 4.402 4.120 -0.012 0.000 0.286 848 V C 0.524 176.622 176.094 0.007 0.000 1.026 848 V CA -0.658 61.647 62.300 0.007 0.000 0.868 848 V CB 1.626 33.464 31.823 0.025 0.000 0.982 848 V HN 0.626 nan 8.190 nan 0.000 0.443 849 V N 5.021 124.926 119.914 -0.014 0.000 2.555 849 V HA 0.042 4.155 4.120 -0.012 0.000 0.299 849 V C 1.154 177.250 176.094 0.003 0.000 1.012 849 V CA 1.343 63.629 62.300 -0.022 0.000 1.180 849 V CB 0.192 31.994 31.823 -0.034 0.000 0.887 849 V HN 1.104 nan 8.190 nan 0.000 0.476 850 A N 4.524 127.352 122.820 0.013 0.000 2.312 850 A HA 0.484 4.797 4.320 -0.012 0.000 0.215 850 A C 0.714 178.303 177.584 0.007 0.000 1.256 850 A CA 0.064 52.128 52.037 0.046 0.000 0.966 850 A CB 0.400 19.469 19.000 0.116 0.000 1.053 850 A HN 0.626 nan 8.150 nan 0.000 0.510 851 K N 0.566 120.923 120.400 -0.071 0.000 2.588 851 K HA 0.489 4.802 4.320 -0.012 0.000 0.250 851 K C -1.931 174.553 176.600 -0.194 0.000 0.972 851 K CA -0.264 55.892 56.287 -0.217 0.000 0.821 851 K CB 0.934 33.119 32.500 -0.525 0.000 1.249 851 K HN -0.020 nan 8.250 nan 0.000 0.442 852 I N 5.300 125.773 120.570 -0.162 0.000 2.312 852 I HA 0.335 4.498 4.170 -0.012 0.000 0.290 852 I C -0.688 175.346 176.117 -0.139 0.000 1.008 852 I CA -0.878 60.348 61.300 -0.123 0.000 1.226 852 I CB 0.983 38.939 38.000 -0.074 0.000 1.371 852 I HN 0.597 nan 8.210 nan 0.000 0.468 853 L N 9.883 131.024 121.223 -0.138 0.000 2.331 853 L HA 0.582 4.915 4.340 -0.012 0.000 0.275 853 L C -2.305 174.526 176.870 -0.065 0.000 1.022 853 L CA -1.850 52.923 54.840 -0.112 0.000 0.812 853 L CB 1.667 43.640 42.059 -0.144 0.000 1.257 853 L HN 0.307 nan 8.230 nan 0.000 0.435 854 P HA 0.099 nan 4.420 nan 0.000 0.282 854 P C 0.926 178.221 177.300 -0.008 0.000 1.262 854 P CA -0.224 62.865 63.100 -0.018 0.000 0.773 854 P CB 1.226 32.923 31.700 -0.005 0.000 0.879 855 V N 4.664 124.569 119.914 -0.015 0.000 2.280 855 V HA -0.363 3.750 4.120 -0.012 0.000 0.258 855 V C 2.060 178.158 176.094 0.007 0.000 1.081 855 V CA 2.802 65.097 62.300 -0.010 0.000 1.070 855 V CB -0.963 30.848 31.823 -0.021 0.000 0.666 855 V HN 0.777 nan 8.190 nan 0.000 0.450 856 E N 0.716 120.918 120.200 0.003 0.000 2.233 856 E HA -0.264 4.079 4.350 -0.012 0.000 0.199 856 E C 1.119 177.750 176.600 0.052 0.000 1.004 856 E CA 1.724 58.130 56.400 0.009 0.000 0.819 856 E CB -0.484 29.220 29.700 0.008 0.000 0.738 856 E HN 0.902 nan 8.360 nan 0.000 0.478 857 D N 0.333 120.780 120.400 0.079 0.000 2.540 857 D HA 0.109 4.742 4.640 -0.012 0.000 0.229 857 D C 0.595 177.014 176.300 0.198 0.000 1.250 857 D CA -0.351 53.732 54.000 0.139 0.000 0.817 857 D CB -0.379 40.498 40.800 0.129 0.000 1.060 857 D HN 0.385 nan 8.370 nan 0.000 0.508 858 M N -1.428 118.262 119.600 0.150 0.000 2.528 858 M HA 0.677 5.150 4.480 -0.012 0.000 0.318 858 M C -2.559 173.858 176.300 0.194 0.000 1.195 858 M CA -1.976 53.407 55.300 0.140 0.000 1.000 858 M CB 1.206 33.779 32.600 -0.045 0.000 1.615 858 M HN -0.449 nan 8.290 nan 0.000 0.469 859 P HA -0.153 nan 4.420 nan 0.000 0.252 859 P C -1.421 175.968 177.300 0.147 0.000 1.126 859 P CA 1.067 64.255 63.100 0.147 0.000 0.777 859 P CB -0.329 31.448 31.700 0.129 0.000 0.711 860 H N 2.567 121.712 119.070 0.125 0.000 2.538 860 H HA 0.412 4.962 4.556 -0.010 0.000 0.353 860 H C 0.027 175.423 175.328 0.114 0.000 1.109 860 H CA -1.289 54.806 56.048 0.078 0.000 1.192 860 H CB 0.721 30.498 29.762 0.024 0.000 1.555 860 H HN 0.091 nan 8.280 nan 0.000 0.518 861 L N 3.016 124.348 121.223 0.181 0.000 2.371 861 L HA -0.005 4.328 4.340 -0.012 0.000 0.234 861 L C -1.128 175.830 176.870 0.146 0.000 1.230 861 L CA -0.744 54.195 54.840 0.165 0.000 0.825 861 L CB 0.115 42.249 42.059 0.126 0.000 1.157 861 L HN 0.553 nan 8.230 nan 0.000 0.565 862 P HA -0.080 nan 4.420 nan 0.000 0.215 862 P C -0.823 176.438 177.300 -0.064 0.000 1.157 862 P CA 0.945 64.044 63.100 -0.002 0.000 0.859 862 P CB -0.004 31.900 31.700 0.341 0.000 0.786 863 D N -0.856 119.602 120.400 0.097 0.000 2.374 863 D HA 0.219 4.852 4.640 -0.012 0.000 0.240 863 D C 1.524 177.839 176.300 0.024 0.000 1.229 863 D CA -0.131 53.896 54.000 0.046 0.000 0.895 863 D CB -0.291 40.575 40.800 0.110 0.000 1.046 863 D HN 0.089 nan 8.370 nan 0.000 0.498 864 G N 3.679 112.451 108.800 -0.047 0.000 3.258 864 G HA2 -0.449 3.504 3.960 -0.012 0.000 0.273 864 G HA3 -0.449 3.504 3.960 -0.012 0.000 0.273 864 G C 0.952 175.839 174.900 -0.022 0.000 1.455 864 G CA 1.430 46.481 45.100 -0.080 0.000 1.369 864 G HN 0.802 nan 8.290 nan 0.000 0.783 865 T N 3.430 118.004 114.554 0.033 0.000 2.758 865 T HA 0.410 4.753 4.350 -0.012 0.000 0.281 865 T C -2.317 172.430 174.700 0.078 0.000 0.963 865 T CA -0.657 61.474 62.100 0.053 0.000 1.201 865 T CB 0.800 69.712 68.868 0.072 0.000 0.906 865 T HN 0.227 nan 8.240 nan 0.000 0.528 866 P HA 0.357 nan 4.420 nan 0.000 0.301 866 P C 0.006 177.330 177.300 0.040 0.000 1.338 866 P CA -0.812 62.335 63.100 0.079 0.000 0.834 866 P CB 1.052 32.786 31.700 0.056 0.000 0.967 867 V N 0.626 120.562 119.914 0.037 0.000 3.484 867 V HA 0.051 4.164 4.120 -0.012 0.000 0.304 867 V C 0.699 176.789 176.094 -0.007 0.000 1.116 867 V CA 0.673 62.980 62.300 0.011 0.000 1.187 867 V CB 0.049 31.875 31.823 0.005 0.000 1.062 867 V HN 0.407 nan 8.190 nan 0.000 0.489 868 D N -0.179 120.219 120.400 -0.003 0.000 2.369 868 D HA 0.207 4.840 4.640 -0.012 0.000 0.231 868 D C 0.401 176.679 176.300 -0.037 0.000 0.967 868 D CA 0.991 54.984 54.000 -0.012 0.000 0.905 868 D CB 0.975 41.791 40.800 0.026 0.000 1.044 868 D HN 0.476 nan 8.370 nan 0.000 0.487 869 V N 0.819 120.714 119.914 -0.031 0.000 2.914 869 V HA 0.472 4.585 4.120 -0.012 0.000 0.314 869 V C -1.442 174.613 176.094 -0.066 0.000 1.084 869 V CA -0.788 61.475 62.300 -0.061 0.000 0.963 869 V CB 2.410 34.205 31.823 -0.047 0.000 1.025 869 V HN -0.067 nan 8.190 nan 0.000 0.432 870 I N 6.511 127.023 120.570 -0.096 0.000 2.437 870 I HA 0.347 4.510 4.170 -0.012 0.000 0.279 870 I C -1.073 175.035 176.117 -0.016 0.000 1.028 870 I CA -0.525 60.732 61.300 -0.072 0.000 1.142 870 I CB 1.454 39.345 38.000 -0.182 0.000 1.266 870 I HN 0.370 nan 8.210 nan 0.000 0.461 871 L N 5.990 127.218 121.223 0.008 0.000 2.326 871 L HA 0.324 4.657 4.340 -0.012 0.000 0.278 871 L C 0.516 177.406 176.870 0.032 0.000 1.092 871 L CA 0.052 54.903 54.840 0.017 0.000 0.810 871 L CB 0.527 42.594 42.059 0.014 0.000 1.153 871 L HN 0.494 nan 8.230 nan 0.000 0.439 872 N N 3.674 122.392 118.700 0.030 0.000 2.530 872 N HA 0.196 4.929 4.740 -0.012 0.000 0.273 872 N C -2.037 173.473 175.510 -0.000 0.000 1.173 872 N CA -1.474 51.590 53.050 0.024 0.000 0.967 872 N CB 1.691 40.182 38.487 0.007 0.000 1.109 872 N HN 0.282 nan 8.380 nan 0.000 0.453 873 P HA 0.053 nan 4.420 nan 0.000 0.215 873 P C 1.386 178.665 177.300 -0.035 0.000 1.157 873 P CA 0.852 63.940 63.100 -0.021 0.000 0.856 873 P CB 0.202 31.891 31.700 -0.019 0.000 0.786 874 L N -0.938 120.256 121.223 -0.048 0.000 2.468 874 L HA -0.174 4.159 4.340 -0.012 0.000 0.225 874 L C 2.187 179.022 176.870 -0.057 0.000 1.139 874 L CA 1.465 56.266 54.840 -0.065 0.000 0.792 874 L CB -1.405 40.593 42.059 -0.102 0.000 0.916 874 L HN 0.128 nan 8.230 nan 0.000 0.446 875 G N -1.090 107.684 108.800 -0.043 0.000 2.712 875 G HA2 0.085 4.038 3.960 -0.012 0.000 0.212 875 G HA3 0.085 4.038 3.960 -0.012 0.000 0.212 875 G C 1.386 176.272 174.900 -0.024 0.000 1.142 875 G CA 0.438 45.520 45.100 -0.030 0.000 0.789 875 G HN 0.273 nan 8.290 nan 0.000 0.535 876 V N 1.124 121.019 119.914 -0.031 0.000 3.263 876 V HA 0.062 4.175 4.120 -0.012 0.000 0.248 876 V C 0.132 176.204 176.094 -0.036 0.000 1.145 876 V CA 0.635 62.914 62.300 -0.034 0.000 1.107 876 V CB -0.045 31.749 31.823 -0.049 0.000 0.797 876 V HN 0.159 nan 8.190 nan 0.000 0.467 877 P HA -0.217 nan 4.420 nan 0.000 0.213 877 P C 2.025 179.309 177.300 -0.026 0.000 1.170 877 P CA 2.273 65.353 63.100 -0.034 0.000 0.902 877 P CB 0.021 31.700 31.700 -0.034 0.000 0.789 878 S N -0.277 115.409 115.700 -0.023 0.000 2.349 878 S HA -0.124 4.339 4.470 -0.012 0.000 0.216 878 S C 1.069 175.664 174.600 -0.008 0.000 1.033 878 S CA 0.717 58.908 58.200 -0.015 0.000 1.021 878 S CB -0.828 62.363 63.200 -0.015 0.000 0.968 878 S HN -0.038 nan 8.310 nan 0.000 0.426 879 R N 1.860 122.357 120.500 -0.005 0.000 2.474 879 R HA 0.141 4.474 4.340 -0.012 0.000 0.339 879 R C -0.130 176.169 176.300 -0.000 0.000 1.033 879 R CA 0.363 56.465 56.100 0.005 0.000 0.997 879 R CB -0.613 29.694 30.300 0.010 0.000 0.963 879 R HN 0.511 nan 8.270 nan 0.000 0.438 880 M N 3.667 123.270 119.600 0.005 0.000 3.593 880 M HA 0.011 4.484 4.480 -0.012 0.000 0.204 880 M C -0.170 176.135 176.300 0.007 0.000 1.569 880 M CA 0.677 55.978 55.300 0.001 0.000 1.694 880 M CB -0.677 31.928 32.600 0.007 0.000 1.149 880 M HN 0.499 nan 8.290 nan 0.000 0.552 881 N N 0.469 119.163 118.700 -0.010 0.000 2.844 881 N HA 0.247 4.980 4.740 -0.012 0.000 0.268 881 N C 0.226 175.674 175.510 -0.102 0.000 1.574 881 N CA -0.446 52.590 53.050 -0.023 0.000 0.838 881 N CB 0.645 39.139 38.487 0.011 0.000 1.177 881 N HN 0.449 nan 8.380 nan 0.000 0.495 882 L N 0.539 121.699 121.223 -0.105 0.000 2.275 882 L HA -0.011 4.322 4.340 -0.012 0.000 0.215 882 L C 2.603 179.280 176.870 -0.322 0.000 1.119 882 L CA 1.060 55.788 54.840 -0.188 0.000 0.790 882 L CB -0.388 41.570 42.059 -0.169 0.000 0.919 882 L HN 0.673 nan 8.230 nan 0.000 0.443 883 G N 0.896 109.523 108.800 -0.288 0.000 2.606 883 G HA2 -0.404 3.549 3.960 -0.012 0.000 0.221 883 G HA3 -0.404 3.549 3.960 -0.012 0.000 0.221 883 G C 1.431 175.939 174.900 -0.653 0.000 1.152 883 G CA 1.252 46.109 45.100 -0.406 0.000 0.765 883 G HN 0.639 nan 8.290 nan 0.000 0.595 884 Q N -0.295 119.009 119.800 -0.826 0.000 2.297 884 Q HA -0.034 4.299 4.340 -0.012 0.000 0.208 884 Q C 2.170 178.058 176.000 -0.187 0.000 0.981 884 Q CA 1.210 56.799 55.803 -0.357 0.000 0.876 884 Q CB -0.220 28.491 28.738 -0.046 0.000 0.921 884 Q HN 0.430 nan 8.270 nan 0.000 0.446 885 I N 0.481 120.848 120.570 -0.338 0.000 3.059 885 I HA -0.066 4.097 4.170 -0.012 0.000 0.270 885 I C 1.919 177.628 176.117 -0.681 0.000 1.238 885 I CA 0.649 61.681 61.300 -0.448 0.000 1.478 885 I CB -0.506 37.245 38.000 -0.416 0.000 1.097 885 I HN 0.323 nan 8.210 nan 0.000 0.455 886 L N 0.170 121.004 121.223 -0.650 0.000 2.202 886 L HA -0.066 4.267 4.340 -0.012 0.000 0.205 886 L C 2.460 179.202 176.870 -0.213 0.000 1.083 886 L CA 0.670 55.052 54.840 -0.764 0.000 0.790 886 L CB -0.331 40.629 42.059 -1.832 0.000 0.942 886 L HN 0.188 nan 8.230 nan 0.000 0.452 887 E N 0.024 120.329 120.200 0.175 0.000 2.160 887 E HA -0.211 4.132 4.350 -0.012 0.000 0.195 887 E C 1.655 178.390 176.600 0.225 0.000 0.991 887 E CA 1.855 58.541 56.400 0.475 0.000 0.810 887 E CB 0.137 30.167 29.700 0.549 0.000 0.742 887 E HN 0.439 nan 8.360 nan 0.000 0.466 888 T N -0.956 113.634 114.554 0.059 0.000 2.937 888 T HA -0.019 4.324 4.350 -0.012 0.000 0.260 888 T C 1.418 176.181 174.700 0.106 0.000 1.051 888 T CA 1.113 63.250 62.100 0.061 0.000 1.141 888 T CB -0.420 68.437 68.868 -0.019 0.000 0.879 888 T HN 0.374 nan 8.240 nan 0.000 0.459 889 H N 0.635 119.681 119.070 -0.040 0.000 2.276 889 H HA 0.022 4.571 4.556 -0.013 0.000 0.301 889 H C 2.323 177.629 175.328 -0.038 0.000 1.073 889 H CA 1.007 56.997 56.048 -0.096 0.000 1.311 889 H CB -0.197 29.475 29.762 -0.151 0.000 1.379 889 H HN 0.054 nan 8.280 nan 0.000 0.494 890 L N 1.317 122.625 121.223 0.140 0.000 2.081 890 L HA -0.110 4.223 4.340 -0.012 0.000 0.212 890 L C 2.407 179.385 176.870 0.180 0.000 1.080 890 L CA 1.971 56.853 54.840 0.069 0.000 0.754 890 L CB -1.126 40.981 42.059 0.080 0.000 0.893 890 L HN 0.313 nan 8.230 nan 0.000 0.433 891 G N -0.339 108.605 108.800 0.241 0.000 2.440 891 G HA2 -0.292 3.660 3.960 -0.012 0.000 0.218 891 G HA3 -0.292 3.660 3.960 -0.012 0.000 0.218 891 G C 1.558 176.652 174.900 0.323 0.000 1.154 891 G CA 0.954 46.239 45.100 0.308 0.000 0.767 891 G HN 0.444 nan 8.290 nan 0.000 0.552 892 L N 1.762 123.115 121.223 0.216 0.000 1.989 892 L HA 0.074 4.407 4.340 -0.012 0.000 0.211 892 L C 2.982 180.045 176.870 0.321 0.000 1.071 892 L CA 2.407 57.352 54.840 0.175 0.000 0.749 892 L CB -1.241 40.776 42.059 -0.071 0.000 0.890 892 L HN 0.256 nan 8.230 nan 0.000 0.431 893 A N -0.584 122.406 122.820 0.283 0.000 2.024 893 A HA -0.080 4.232 4.320 -0.012 0.000 0.220 893 A C 2.285 180.187 177.584 0.531 0.000 1.164 893 A CA 1.483 53.754 52.037 0.389 0.000 0.643 893 A CB -1.471 17.707 19.000 0.296 0.000 0.806 893 A HN 0.589 nan 8.150 nan 0.000 0.451 894 G N -2.268 106.894 108.800 0.603 0.000 2.484 894 G HA2 -0.085 3.868 3.960 -0.012 0.000 0.218 894 G HA3 -0.085 3.868 3.960 -0.012 0.000 0.218 894 G C 1.332 176.458 174.900 0.376 0.000 1.130 894 G CA 1.027 46.454 45.100 0.544 0.000 0.784 894 G HN 0.580 nan 8.290 nan 0.000 0.543 895 Y N 0.429 120.936 120.300 0.344 0.000 2.228 895 Y HA 0.111 4.655 4.550 -0.010 0.000 0.267 895 Y C 2.408 178.514 175.900 0.343 0.000 1.072 895 Y CA 1.181 59.481 58.100 0.334 0.000 1.068 895 Y CB -0.343 38.391 38.460 0.456 0.000 1.015 895 Y HN 0.097 nan 8.280 nan 0.000 0.474 896 F N -0.113 120.165 119.950 0.546 0.000 2.271 896 F HA -0.232 4.289 4.527 -0.011 0.000 0.302 896 F C 1.958 177.893 175.800 0.224 0.000 1.063 896 F CA 1.146 59.372 58.000 0.378 0.000 1.362 896 F CB -0.803 38.426 39.000 0.382 0.000 1.060 896 F HN 0.170 nan 8.300 nan 0.000 0.521 897 L N -0.816 120.646 121.223 0.398 0.000 2.477 897 L HA 0.319 4.652 4.340 -0.012 0.000 0.220 897 L C 1.392 178.340 176.870 0.130 0.000 1.106 897 L CA 0.754 55.750 54.840 0.259 0.000 0.851 897 L CB -0.671 41.568 42.059 0.300 0.000 0.994 897 L HN 0.165 nan 8.230 nan 0.000 0.462 898 G N 0.866 109.717 108.800 0.085 0.000 2.392 898 G HA2 -0.211 3.742 3.960 -0.012 0.000 0.290 898 G HA3 -0.211 3.742 3.960 -0.012 0.000 0.290 898 G C -0.173 174.705 174.900 -0.037 0.000 1.032 898 G CA 0.585 45.678 45.100 -0.013 0.000 1.269 898 G HN 0.526 nan 8.290 nan 0.000 0.511 899 Q N -1.210 118.540 119.800 -0.083 0.000 2.702 899 Q HA 0.661 4.994 4.340 -0.012 0.000 0.289 899 Q C -0.557 175.197 176.000 -0.409 0.000 0.923 899 Q CA -1.402 54.278 55.803 -0.206 0.000 0.787 899 Q CB 1.170 29.786 28.738 -0.203 0.000 1.476 899 Q HN 0.241 nan 8.270 nan 0.000 0.402 900 R N -0.050 120.187 120.500 -0.438 0.000 2.719 900 R HA 0.700 5.033 4.340 -0.012 0.000 0.233 900 R C -0.848 175.021 176.300 -0.718 0.000 1.257 900 R CA -0.625 55.212 56.100 -0.437 0.000 1.109 900 R CB 0.754 30.976 30.300 -0.129 0.000 1.447 900 R HN 0.711 nan 8.270 nan 0.000 0.537 901 Y N -0.870 119.475 120.300 0.075 0.000 2.552 901 Y HA 0.489 5.032 4.550 -0.012 0.000 0.337 901 Y C -0.275 175.660 175.900 0.059 0.000 1.094 901 Y CA -0.841 57.310 58.100 0.085 0.000 1.028 901 Y CB 2.088 40.699 38.460 0.251 0.000 1.321 901 Y HN 0.231 nan 8.280 nan 0.000 0.456 902 I N 1.628 122.337 120.570 0.232 0.000 2.436 902 I HA 0.338 4.501 4.170 -0.012 0.000 0.289 902 I C -0.311 175.949 176.117 0.239 0.000 1.010 902 I CA -0.515 60.856 61.300 0.118 0.000 1.098 902 I CB 2.068 40.083 38.000 0.026 0.000 1.266 902 I HN 0.585 nan 8.210 nan 0.000 0.434 903 S N 7.371 123.128 115.700 0.094 0.000 2.272 903 S HA 0.410 4.873 4.470 -0.012 0.000 0.207 903 S C -2.429 172.141 174.600 -0.050 0.000 1.336 903 S CA -1.443 56.788 58.200 0.052 0.000 1.259 903 S CB -0.140 62.956 63.200 -0.173 0.000 1.130 903 S HN 0.281 nan 8.310 nan 0.000 0.444 904 P HA -0.138 nan 4.420 nan 0.000 0.270 904 P C 1.439 178.697 177.300 -0.071 0.000 1.149 904 P CA 0.238 63.319 63.100 -0.031 0.000 0.752 904 P CB 0.246 31.966 31.700 0.033 0.000 0.751 905 I N 2.040 122.508 120.570 -0.170 0.000 2.345 905 I HA -0.345 3.818 4.170 -0.012 0.000 0.228 905 I C 1.985 177.968 176.117 -0.225 0.000 0.960 905 I CA 2.392 63.478 61.300 -0.356 0.000 1.262 905 I CB -1.079 36.553 38.000 -0.614 0.000 0.969 905 I HN 0.479 nan 8.210 nan 0.000 0.385 906 F N -0.701 119.274 119.950 0.041 0.000 2.553 906 F HA 0.043 4.563 4.527 -0.012 0.000 0.282 906 F C 1.059 176.893 175.800 0.056 0.000 1.089 906 F CA -0.360 57.668 58.000 0.048 0.000 1.411 906 F CB 0.169 39.211 39.000 0.069 0.000 1.125 906 F HN 0.057 nan 8.300 nan 0.000 0.610 907 D N 1.145 121.685 120.400 0.233 0.000 2.558 907 D HA 0.308 4.941 4.640 -0.012 0.000 0.221 907 D C 0.241 176.624 176.300 0.138 0.000 1.143 907 D CA 0.127 54.225 54.000 0.164 0.000 1.010 907 D CB 0.069 40.951 40.800 0.136 0.000 1.068 907 D HN 0.260 nan 8.370 nan 0.000 0.511 908 G N 0.985 109.867 108.800 0.137 0.000 3.175 908 G HA2 0.662 4.615 3.960 -0.012 0.000 0.153 908 G HA3 0.662 4.615 3.960 -0.012 0.000 0.153 908 G C -0.451 174.462 174.900 0.022 0.000 1.216 908 G CA -0.279 44.884 45.100 0.104 0.000 0.943 908 G HN 0.524 nan 8.290 nan 0.000 0.611 909 A N -0.925 121.765 122.820 -0.216 0.000 2.287 909 A HA 0.755 5.068 4.320 -0.012 0.000 0.273 909 A C -0.247 177.219 177.584 -0.197 0.000 1.091 909 A CA -0.025 51.645 52.037 -0.611 0.000 0.817 909 A CB 0.904 19.047 19.000 -1.429 0.000 1.069 909 A HN 0.411 nan 8.150 nan 0.000 0.492 910 K N -0.378 119.909 120.400 -0.188 0.000 2.340 910 K HA 0.334 4.647 4.320 -0.012 0.000 0.244 910 K C 0.910 177.450 176.600 -0.101 0.000 0.973 910 K CA -0.464 55.779 56.287 -0.072 0.000 0.828 910 K CB 1.553 34.044 32.500 -0.015 0.000 1.226 910 K HN 0.809 nan 8.250 nan 0.000 0.437 911 E N 1.673 121.821 120.200 -0.087 0.000 2.113 911 E HA -0.249 4.094 4.350 -0.012 0.000 0.210 911 E C -1.111 175.450 176.600 -0.066 0.000 1.040 911 E CA 2.163 58.507 56.400 -0.093 0.000 0.847 911 E CB -0.433 29.218 29.700 -0.082 0.000 0.755 911 E HN 0.355 nan 8.360 nan 0.000 0.459 912 P HA -0.178 nan 4.420 nan 0.000 0.213 912 P C 0.744 178.044 177.300 0.000 0.000 1.170 912 P CA 1.876 64.968 63.100 -0.015 0.000 0.902 912 P CB -0.085 31.616 31.700 0.001 0.000 0.789 913 E N -0.678 119.525 120.200 0.004 0.000 2.097 913 E HA -0.187 4.155 4.350 -0.012 0.000 0.196 913 E C 2.027 178.649 176.600 0.036 0.000 1.000 913 E CA 1.107 57.539 56.400 0.052 0.000 0.804 913 E CB -0.676 29.070 29.700 0.077 0.000 0.740 913 E HN 0.257 nan 8.360 nan 0.000 0.454 914 I N 1.106 121.645 120.570 -0.051 0.000 2.179 914 I HA -0.256 3.907 4.170 -0.012 0.000 0.242 914 I C 2.211 178.321 176.117 -0.012 0.000 1.088 914 I CA 0.911 62.178 61.300 -0.054 0.000 1.357 914 I CB -0.251 37.689 38.000 -0.101 0.000 1.051 914 I HN -0.033 nan 8.210 nan 0.000 0.409 915 K N 0.649 121.034 120.400 -0.025 0.000 2.218 915 K HA -0.226 4.087 4.320 -0.012 0.000 0.205 915 K C 1.897 178.518 176.600 0.035 0.000 1.046 915 K CA 1.144 57.420 56.287 -0.018 0.000 0.933 915 K CB -0.343 32.139 32.500 -0.030 0.000 0.728 915 K HN 0.457 nan 8.250 nan 0.000 0.454 916 E N 1.162 121.396 120.200 0.058 0.000 2.033 916 E HA -0.076 4.267 4.350 -0.012 0.000 0.189 916 E C 2.147 178.829 176.600 0.136 0.000 0.979 916 E CA 0.449 56.905 56.400 0.093 0.000 0.802 916 E CB -0.009 29.749 29.700 0.097 0.000 0.763 916 E HN 0.198 nan 8.360 nan 0.000 0.449 917 L N 0.701 122.012 121.223 0.147 0.000 2.042 917 L HA -0.242 4.091 4.340 -0.012 0.000 0.210 917 L C 2.771 179.783 176.870 0.236 0.000 1.076 917 L CA 0.798 55.758 54.840 0.200 0.000 0.749 917 L CB -0.590 41.585 42.059 0.194 0.000 0.893 917 L HN 0.182 nan 8.230 nan 0.000 0.432 918 L N 0.034 121.374 121.223 0.195 0.000 2.081 918 L HA -0.224 4.109 4.340 -0.012 0.000 0.212 918 L C 2.770 179.909 176.870 0.448 0.000 1.080 918 L CA 2.102 57.110 54.840 0.281 0.000 0.754 918 L CB -1.176 40.931 42.059 0.079 0.000 0.893 918 L HN 0.208 nan 8.230 nan 0.000 0.433 919 A N -1.086 121.907 122.820 0.288 0.000 1.855 919 A HA -0.265 4.048 4.320 -0.012 0.000 0.215 919 A C 2.265 180.019 177.584 0.285 0.000 1.191 919 A CA 1.491 53.689 52.037 0.268 0.000 0.613 919 A CB -0.687 18.403 19.000 0.150 0.000 0.829 919 A HN 0.503 nan 8.150 nan 0.000 0.442 920 Q N -0.544 119.399 119.800 0.239 0.000 2.439 920 Q HA -0.054 4.278 4.340 -0.012 0.000 0.211 920 Q C 1.778 177.937 176.000 0.265 0.000 0.978 920 Q CA 1.165 57.102 55.803 0.222 0.000 0.897 920 Q CB -0.252 28.604 28.738 0.196 0.000 0.956 920 Q HN 0.629 nan 8.270 nan 0.000 0.483 921 A N 0.111 123.134 122.820 0.339 0.000 1.871 921 A HA -0.055 4.258 4.320 -0.012 0.000 0.211 921 A C 1.618 179.349 177.584 0.245 0.000 1.207 921 A CA 0.434 52.702 52.037 0.386 0.000 0.620 921 A CB -0.868 18.454 19.000 0.536 0.000 0.860 921 A HN 0.559 nan 8.150 nan 0.000 0.450 922 F N 1.270 121.223 119.950 0.004 0.000 2.257 922 F HA -0.273 4.246 4.527 -0.013 0.000 0.302 922 F C 1.992 177.763 175.800 -0.048 0.000 1.056 922 F CA 2.094 59.901 58.000 -0.321 0.000 1.353 922 F CB 0.022 38.899 39.000 -0.205 0.000 1.064 922 F HN 0.395 nan 8.300 nan 0.000 0.520 923 E N 0.000 120.263 120.200 0.106 0.000 2.011 923 E HA -0.119 4.224 4.350 -0.012 0.000 0.191 923 E C 2.193 178.821 176.600 0.047 0.000 0.979 923 E CA 1.905 58.354 56.400 0.083 0.000 0.822 923 E CB -0.791 28.993 29.700 0.140 0.000 0.782 923 E HN 0.099 nan 8.360 nan 0.000 0.459 924 V N 1.206 121.207 119.914 0.144 0.000 2.357 924 V HA -0.310 3.803 4.120 -0.012 0.000 0.257 924 V C 2.334 178.569 176.094 0.235 0.000 1.082 924 V CA 2.330 64.734 62.300 0.173 0.000 1.078 924 V CB -0.947 31.018 31.823 0.236 0.000 0.663 924 V HN 0.402 nan 8.190 nan 0.000 0.455 925 Y N -0.391 120.008 120.300 0.165 0.000 2.206 925 Y HA -0.095 4.447 4.550 -0.013 0.000 0.292 925 Y C 2.123 177.932 175.900 -0.151 0.000 1.123 925 Y CA 1.401 59.602 58.100 0.169 0.000 1.142 925 Y CB -0.364 37.978 38.460 -0.195 0.000 1.006 925 Y HN 0.255 nan 8.280 nan 0.000 0.518 926 F N -0.137 119.296 119.950 -0.862 0.000 2.559 926 F HA 0.261 4.781 4.527 -0.012 0.000 0.286 926 F C 2.335 177.913 175.800 -0.369 0.000 1.108 926 F CA 0.854 58.328 58.000 -0.878 0.000 1.436 926 F CB -0.366 37.857 39.000 -1.295 0.000 1.130 926 F HN 0.023 nan 8.300 nan 0.000 0.584 927 G N 0.679 109.416 108.800 -0.104 0.000 2.469 927 G HA2 -0.351 3.601 3.960 -0.012 0.000 0.219 927 G HA3 -0.351 3.601 3.960 -0.012 0.000 0.219 927 G C 1.640 176.467 174.900 -0.121 0.000 1.150 927 G CA 1.233 46.319 45.100 -0.024 0.000 0.763 927 G HN 0.213 nan 8.290 nan 0.000 0.561 928 K N 0.351 120.667 120.400 -0.140 0.000 1.988 928 K HA -0.121 4.192 4.320 -0.012 0.000 0.221 928 K C 2.754 179.238 176.600 -0.194 0.000 1.053 928 K CA 1.488 57.698 56.287 -0.128 0.000 0.959 928 K CB -0.314 32.131 32.500 -0.091 0.000 0.728 928 K HN 0.107 nan 8.250 nan 0.000 0.447 929 R N 0.635 120.946 120.500 -0.316 0.000 2.189 929 R HA -0.255 4.078 4.340 -0.012 0.000 0.252 929 R C 2.145 178.280 176.300 -0.275 0.000 1.134 929 R CA 2.324 58.221 56.100 -0.338 0.000 0.954 929 R CB -0.651 29.228 30.300 -0.702 0.000 0.890 929 R HN 0.361 nan 8.270 nan 0.000 0.443 930 K N -0.901 119.315 120.400 -0.306 0.000 2.218 930 K HA -0.124 4.189 4.320 -0.012 0.000 0.205 930 K C 2.072 178.613 176.600 -0.099 0.000 1.046 930 K CA 1.372 57.586 56.287 -0.121 0.000 0.933 930 K CB -0.141 32.361 32.500 0.002 0.000 0.728 930 K HN 0.391 nan 8.250 nan 0.000 0.454 931 G N 0.759 109.488 108.800 -0.119 0.000 2.673 931 G HA2 -0.102 3.851 3.960 -0.012 0.000 0.208 931 G HA3 -0.102 3.851 3.960 -0.012 0.000 0.208 931 G C 0.981 175.791 174.900 -0.151 0.000 1.128 931 G CA -0.223 44.813 45.100 -0.106 0.000 0.805 931 G HN 0.191 nan 8.290 nan 0.000 0.526 932 E N 0.268 120.363 120.200 -0.175 0.000 2.472 932 E HA 0.161 4.503 4.350 -0.012 0.000 0.200 932 E C 1.478 177.790 176.600 -0.481 0.000 1.046 932 E CA 0.265 56.526 56.400 -0.230 0.000 0.871 932 E CB -0.048 29.578 29.700 -0.123 0.000 0.806 932 E HN 0.422 nan 8.360 nan 0.000 0.533 933 G N 0.802 109.345 108.800 -0.429 0.000 2.203 933 G HA2 -0.248 3.705 3.960 -0.012 0.000 0.231 933 G HA3 -0.248 3.705 3.960 -0.012 0.000 0.231 933 G C -0.315 174.165 174.900 -0.701 0.000 1.058 933 G CA -0.337 44.445 45.100 -0.529 0.000 0.781 933 G HN 0.193 nan 8.290 nan 0.000 0.496 934 F N -1.051 118.853 119.950 -0.077 0.000 2.588 934 F HA 0.663 5.184 4.527 -0.011 0.000 0.310 934 F C 1.213 176.973 175.800 -0.067 0.000 1.082 934 F CA -0.531 57.429 58.000 -0.066 0.000 0.929 934 F CB 1.726 40.678 39.000 -0.080 0.000 1.254 934 F HN 0.175 nan 8.300 nan 0.000 0.455 935 G N 0.534 109.459 108.800 0.209 0.000 3.348 935 G HA2 0.502 4.455 3.960 -0.012 0.000 0.180 935 G HA3 0.502 4.455 3.960 -0.012 0.000 0.180 935 G C -0.657 174.349 174.900 0.177 0.000 1.915 935 G CA 0.076 45.272 45.100 0.159 0.000 0.937 935 G HN 0.720 nan 8.290 nan 0.000 0.564 936 V N -1.580 118.440 119.914 0.177 0.000 2.577 936 V HA 0.519 4.632 4.120 -0.012 0.000 0.303 936 V C -0.959 175.223 176.094 0.147 0.000 1.042 936 V CA -1.095 61.322 62.300 0.196 0.000 0.872 936 V CB 1.214 33.172 31.823 0.224 0.000 0.998 936 V HN 0.460 nan 8.190 nan 0.000 0.423 937 D N 2.702 123.196 120.400 0.158 0.000 2.567 937 D HA -0.046 4.587 4.640 -0.012 0.000 0.228 937 D C 0.981 177.349 176.300 0.113 0.000 1.185 937 D CA 0.952 55.041 54.000 0.149 0.000 0.874 937 D CB 0.759 41.712 40.800 0.254 0.000 1.219 937 D HN 0.861 nan 8.370 nan 0.000 0.494 938 K N 1.727 122.181 120.400 0.091 0.000 2.522 938 K HA 0.010 4.323 4.320 -0.012 0.000 0.194 938 K C 0.945 177.575 176.600 0.049 0.000 1.026 938 K CA 0.305 56.631 56.287 0.064 0.000 1.119 938 K CB 0.237 32.768 32.500 0.053 0.000 0.856 938 K HN 0.234 nan 8.250 nan 0.000 0.513 939 R N -0.144 120.390 120.500 0.057 0.000 2.098 939 R HA 0.056 4.389 4.340 -0.012 0.000 0.203 939 R C 1.603 177.889 176.300 -0.023 0.000 1.166 939 R CA 0.532 56.628 56.100 -0.007 0.000 1.090 939 R CB -0.456 29.811 30.300 -0.055 0.000 0.992 939 R HN 0.210 nan 8.270 nan 0.000 0.477 940 E N 0.955 121.172 120.200 0.028 0.000 2.108 940 E HA -0.189 4.154 4.350 -0.012 0.000 0.203 940 E C 1.962 178.586 176.600 0.040 0.000 1.022 940 E CA 1.784 58.217 56.400 0.055 0.000 0.823 940 E CB -0.130 29.660 29.700 0.151 0.000 0.744 940 E HN -0.047 nan 8.360 nan 0.000 0.456 941 V N 0.971 120.914 119.914 0.048 0.000 2.392 941 V HA -0.287 3.826 4.120 -0.012 0.000 0.249 941 V C 2.319 178.420 176.094 0.012 0.000 1.059 941 V CA 2.189 64.509 62.300 0.033 0.000 1.051 941 V CB -0.395 31.451 31.823 0.038 0.000 0.658 941 V HN 0.338 nan 8.190 nan 0.000 0.455 942 E N -0.340 119.861 120.200 0.002 0.000 2.072 942 E HA -0.168 4.175 4.350 -0.012 0.000 0.190 942 E C 2.188 178.775 176.600 -0.022 0.000 0.982 942 E CA 1.421 57.813 56.400 -0.012 0.000 0.803 942 E CB -0.012 29.676 29.700 -0.020 0.000 0.755 942 E HN 0.388 nan 8.360 nan 0.000 0.453 943 V N 1.220 121.114 119.914 -0.034 0.000 2.490 943 V HA -0.233 3.880 4.120 -0.012 0.000 0.250 943 V C 2.324 178.407 176.094 -0.018 0.000 1.061 943 V CA 1.344 63.621 62.300 -0.037 0.000 1.064 943 V CB -0.345 31.447 31.823 -0.052 0.000 0.670 943 V HN 0.340 nan 8.190 nan 0.000 0.461 944 L N -0.755 120.465 121.223 -0.006 0.000 2.265 944 L HA -0.140 4.193 4.340 -0.012 0.000 0.215 944 L C 2.612 179.476 176.870 -0.010 0.000 1.117 944 L CA 1.360 56.197 54.840 -0.005 0.000 0.782 944 L CB -0.526 41.534 42.059 0.002 0.000 0.914 944 L HN 0.222 nan 8.230 nan 0.000 0.441 945 R N -0.471 120.023 120.500 -0.011 0.000 2.073 945 R HA -0.119 4.214 4.340 -0.012 0.000 0.229 945 R C 2.429 178.720 176.300 -0.015 0.000 1.120 945 R CA 1.177 57.270 56.100 -0.012 0.000 0.967 945 R CB -0.157 30.137 30.300 -0.010 0.000 0.862 945 R HN 0.244 nan 8.270 nan 0.000 0.436 946 R N 0.303 120.793 120.500 -0.018 0.000 2.075 946 R HA 0.020 4.353 4.340 -0.012 0.000 0.226 946 R C 1.891 178.179 176.300 -0.020 0.000 1.114 946 R CA 1.134 57.222 56.100 -0.020 0.000 0.972 946 R CB -0.103 30.182 30.300 -0.024 0.000 0.869 946 R HN 0.163 nan 8.270 nan 0.000 0.437 947 A N 1.257 124.066 122.820 -0.019 0.000 2.259 947 A HA -0.167 4.146 4.320 -0.012 0.000 0.212 947 A C 1.554 179.125 177.584 -0.022 0.000 1.178 947 A CA 1.542 53.568 52.037 -0.019 0.000 0.734 947 A CB -0.373 18.619 19.000 -0.014 0.000 0.774 947 A HN 0.726 nan 8.150 nan 0.000 0.481 948 E N -0.683 119.505 120.200 -0.021 0.000 2.256 948 E HA 0.046 4.389 4.350 -0.012 0.000 0.198 948 E C 1.589 178.177 176.600 -0.021 0.000 0.908 948 E CA 0.191 56.578 56.400 -0.022 0.000 0.915 948 E CB -0.328 29.360 29.700 -0.020 0.000 0.890 948 E HN 0.432 nan 8.360 nan 0.000 0.484 949 K N 0.743 121.132 120.400 -0.019 0.000 2.211 949 K HA -0.028 4.285 4.320 -0.012 0.000 0.204 949 K C 2.065 178.653 176.600 -0.019 0.000 1.047 949 K CA 0.707 56.983 56.287 -0.018 0.000 0.935 949 K CB 0.017 32.507 32.500 -0.016 0.000 0.728 949 K HN 0.120 nan 8.250 nan 0.000 0.452 950 L N -0.116 121.095 121.223 -0.021 0.000 2.056 950 L HA -0.062 4.271 4.340 -0.012 0.000 0.207 950 L C 1.156 178.012 176.870 -0.023 0.000 1.078 950 L CA 1.899 56.726 54.840 -0.022 0.000 0.749 950 L CB -1.063 40.983 42.059 -0.023 0.000 0.901 950 L HN 0.554 nan 8.230 nan 0.000 0.433 951 G N -0.545 108.240 108.800 -0.024 0.000 2.270 951 G HA2 -0.179 3.774 3.960 -0.012 0.000 0.224 951 G HA3 -0.179 3.774 3.960 -0.012 0.000 0.224 951 G C 0.427 175.309 174.900 -0.030 0.000 1.079 951 G CA 0.005 45.090 45.100 -0.026 0.000 0.807 951 G HN 0.168 nan 8.290 nan 0.000 0.492 952 L N -0.450 120.754 121.223 -0.032 0.000 2.693 952 L HA 0.382 4.715 4.340 -0.012 0.000 0.235 952 L C 1.088 177.933 176.870 -0.043 0.000 1.127 952 L CA 0.910 55.727 54.840 -0.038 0.000 0.914 952 L CB 0.166 42.203 42.059 -0.036 0.000 1.193 952 L HN 0.799 nan 8.230 nan 0.000 0.502 953 V N -3.335 116.556 119.914 -0.039 0.000 2.888 953 V HA 0.508 4.621 4.120 -0.012 0.000 0.309 953 V C 0.194 176.265 176.094 -0.039 0.000 1.114 953 V CA -0.855 61.419 62.300 -0.044 0.000 0.940 953 V CB 1.224 33.020 31.823 -0.045 0.000 1.021 953 V HN 0.278 nan 8.190 nan 0.000 0.426 954 T N 1.856 116.385 114.554 -0.042 0.000 2.761 954 T HA 0.381 4.724 4.350 -0.012 0.000 0.287 954 T C -1.977 172.704 174.700 -0.032 0.000 0.931 954 T CA -0.695 61.383 62.100 -0.036 0.000 1.164 954 T CB 0.027 68.872 68.868 -0.038 0.000 0.876 954 T HN 0.754 nan 8.240 nan 0.000 0.534 955 P HA 0.266 nan 4.420 nan 0.000 0.266 955 P C 1.328 178.616 177.300 -0.021 0.000 1.193 955 P CA 1.098 64.185 63.100 -0.022 0.000 0.770 955 P CB 0.055 31.744 31.700 -0.018 0.000 0.836 956 G N 1.158 109.947 108.800 -0.019 0.000 2.454 956 G HA2 -0.302 3.651 3.960 -0.012 0.000 0.225 956 G HA3 -0.302 3.651 3.960 -0.012 0.000 0.225 956 G C 0.522 175.410 174.900 -0.020 0.000 1.138 956 G CA 0.408 45.497 45.100 -0.017 0.000 0.667 956 G HN 0.766 nan 8.290 nan 0.000 0.512 957 K N 1.347 121.731 120.400 -0.027 0.000 2.393 957 K HA 0.321 4.634 4.320 -0.012 0.000 0.264 957 K C 0.769 177.349 176.600 -0.033 0.000 0.979 957 K CA 0.883 57.150 56.287 -0.034 0.000 0.893 957 K CB 0.055 32.526 32.500 -0.048 0.000 0.967 957 K HN 0.292 nan 8.250 nan 0.000 0.521 958 T N 2.169 116.701 114.554 -0.037 0.000 2.884 958 T HA 0.163 4.506 4.350 -0.012 0.000 0.298 958 T C -1.885 172.786 174.700 -0.048 0.000 0.998 958 T CA -1.824 60.257 62.100 -0.032 0.000 1.124 958 T CB 0.871 69.723 68.868 -0.027 0.000 0.931 958 T HN 0.393 nan 8.240 nan 0.000 0.531 959 P HA -0.191 nan 4.420 nan 0.000 0.217 959 P C 1.315 178.564 177.300 -0.086 0.000 1.162 959 P CA 1.464 64.545 63.100 -0.032 0.000 0.901 959 P CB 0.106 31.811 31.700 0.009 0.000 0.793 960 E N 0.147 120.286 120.200 -0.101 0.000 2.055 960 E HA -0.288 4.055 4.350 -0.012 0.000 0.209 960 E C 1.978 178.408 176.600 -0.283 0.000 1.036 960 E CA 1.877 58.130 56.400 -0.245 0.000 0.849 960 E CB -1.064 28.553 29.700 -0.138 0.000 0.767 960 E HN 0.097 nan 8.360 nan 0.000 0.461 961 E N 0.416 120.500 120.200 -0.193 0.000 2.049 961 E HA -0.265 4.078 4.350 -0.012 0.000 0.198 961 E C 2.256 178.710 176.600 -0.243 0.000 1.007 961 E CA 1.711 57.985 56.400 -0.210 0.000 0.809 961 E CB -0.536 29.087 29.700 -0.128 0.000 0.749 961 E HN 0.521 nan 8.360 nan 0.000 0.450 962 Q N 0.017 119.720 119.800 -0.162 0.000 2.156 962 Q HA -0.201 4.132 4.340 -0.012 0.000 0.211 962 Q C 2.408 178.314 176.000 -0.157 0.000 0.995 962 Q CA 1.374 57.100 55.803 -0.129 0.000 0.877 962 Q CB -0.262 28.432 28.738 -0.074 0.000 0.920 962 Q HN 0.312 nan 8.270 nan 0.000 0.416 963 L N 0.377 121.491 121.223 -0.181 0.000 2.083 963 L HA -0.196 4.137 4.340 -0.012 0.000 0.209 963 L C 2.479 179.081 176.870 -0.446 0.000 1.083 963 L CA 1.342 56.110 54.840 -0.121 0.000 0.752 963 L CB -0.660 41.456 42.059 0.095 0.000 0.899 963 L HN 0.266 nan 8.230 nan 0.000 0.433 964 K N 0.793 120.608 120.400 -0.975 0.000 2.009 964 K HA -0.212 4.101 4.320 -0.012 0.000 0.210 964 K C 1.932 178.277 176.600 -0.425 0.000 1.049 964 K CA 1.640 57.210 56.287 -1.195 0.000 0.929 964 K CB 0.011 31.953 32.500 -0.931 0.000 0.714 964 K HN 0.291 nan 8.250 nan 0.000 0.440 965 E N 0.461 120.492 120.200 -0.282 0.000 2.065 965 E HA -0.259 4.084 4.350 -0.012 0.000 0.201 965 E C 2.056 178.595 176.600 -0.102 0.000 1.016 965 E CA 1.431 57.740 56.400 -0.151 0.000 0.818 965 E CB -0.214 29.413 29.700 -0.120 0.000 0.749 965 E HN 0.165 nan 8.360 nan 0.000 0.453 966 L N 0.548 121.724 121.223 -0.077 0.000 1.955 966 L HA -0.194 4.139 4.340 -0.012 0.000 0.213 966 L C 2.245 179.127 176.870 0.020 0.000 1.072 966 L CA 1.698 56.525 54.840 -0.021 0.000 0.755 966 L CB -1.102 40.971 42.059 0.023 0.000 0.888 966 L HN 0.126 nan 8.230 nan 0.000 0.432 967 F N -0.264 119.667 119.950 -0.033 0.000 2.111 967 F HA -0.314 4.205 4.527 -0.013 0.000 0.300 967 F C 2.255 178.026 175.800 -0.047 0.000 1.088 967 F CA 1.813 59.844 58.000 0.051 0.000 1.243 967 F CB -0.378 38.834 39.000 0.355 0.000 0.996 967 F HN 0.105 nan 8.300 nan 0.000 0.483 968 L N -0.033 121.223 121.223 0.054 0.000 2.261 968 L HA -0.261 4.072 4.340 -0.012 0.000 0.216 968 L C 2.289 179.015 176.870 -0.239 0.000 1.114 968 L CA 1.431 56.229 54.840 -0.069 0.000 0.777 968 L CB -0.698 41.346 42.059 -0.025 0.000 0.910 968 L HN 0.308 nan 8.230 nan 0.000 0.440 969 Q N -0.728 118.921 119.800 -0.253 0.000 2.378 969 Q HA 0.044 4.377 4.340 -0.012 0.000 0.205 969 Q C 1.658 177.280 176.000 -0.632 0.000 0.954 969 Q CA 0.786 56.397 55.803 -0.320 0.000 0.901 969 Q CB 0.246 28.867 28.738 -0.195 0.000 0.981 969 Q HN 0.604 nan 8.270 nan 0.000 0.483 970 G N 0.979 109.393 108.800 -0.643 0.000 2.255 970 G HA2 -0.191 3.761 3.960 -0.012 0.000 0.196 970 G HA3 -0.191 3.761 3.960 -0.012 0.000 0.196 970 G C -0.141 174.518 174.900 -0.402 0.000 0.998 970 G CA -0.486 44.159 45.100 -0.758 0.000 0.656 970 G HN 0.180 nan 8.290 nan 0.000 0.490 971 K N 0.743 120.984 120.400 -0.265 0.000 2.118 971 K HA 0.710 5.023 4.320 -0.012 0.000 0.267 971 K C 0.313 176.904 176.600 -0.016 0.000 0.991 971 K CA -0.164 56.057 56.287 -0.109 0.000 0.916 971 K CB 2.663 35.131 32.500 -0.054 0.000 1.041 971 K HN 0.752 nan 8.250 nan 0.000 0.455 972 V N -2.047 117.894 119.914 0.046 0.000 3.158 972 V HA 0.488 4.601 4.120 -0.012 0.000 0.311 972 V C -0.647 175.529 176.094 0.136 0.000 1.181 972 V CA -1.086 61.318 62.300 0.173 0.000 1.054 972 V CB 1.919 33.824 31.823 0.137 0.000 1.085 972 V HN 0.419 nan 8.190 nan 0.000 0.446 973 V N 2.760 122.788 119.914 0.191 0.000 2.284 973 V HA 0.392 4.505 4.120 -0.012 0.000 0.260 973 V C -0.045 176.110 176.094 0.101 0.000 1.084 973 V CA -0.156 62.200 62.300 0.092 0.000 0.894 973 V CB 0.082 31.945 31.823 0.066 0.000 1.119 973 V HN 0.655 nan 8.190 nan 0.000 0.484 974 L N 5.043 126.299 121.223 0.056 0.000 2.395 974 L HA 0.462 4.795 4.340 -0.012 0.000 0.269 974 L C -0.359 176.515 176.870 0.007 0.000 1.133 974 L CA 0.097 55.005 54.840 0.114 0.000 0.812 974 L CB 0.644 42.747 42.059 0.073 0.000 1.125 974 L HN 0.439 nan 8.230 nan 0.000 0.452 975 Y N 0.882 121.029 120.300 -0.254 0.000 2.360 975 Y HA 0.225 4.772 4.550 -0.005 0.000 0.337 975 Y C 0.383 176.056 175.900 -0.379 0.000 1.039 975 Y CA -1.382 56.508 58.100 -0.350 0.000 1.109 975 Y CB 0.720 38.885 38.460 -0.492 0.000 1.201 975 Y HN 0.477 nan 8.280 nan 0.000 0.458 976 D N 2.657 123.057 120.400 0.001 0.000 2.498 976 D HA 0.033 4.666 4.640 -0.012 0.000 0.229 976 D C 1.369 177.766 176.300 0.162 0.000 1.188 976 D CA 0.235 54.280 54.000 0.074 0.000 1.028 976 D CB 0.375 41.202 40.800 0.045 0.000 1.087 976 D HN 0.956 nan 8.370 nan 0.000 0.510 977 G N 3.243 112.201 108.800 0.263 0.000 2.689 977 G HA2 -0.282 3.671 3.960 -0.012 0.000 0.216 977 G HA3 -0.282 3.671 3.960 -0.012 0.000 0.216 977 G C 1.462 176.507 174.900 0.241 0.000 1.119 977 G CA 0.343 45.709 45.100 0.444 0.000 0.732 977 G HN 0.482 nan 8.290 nan 0.000 0.576 978 R N -1.455 119.157 120.500 0.187 0.000 2.265 978 R HA 0.165 4.498 4.340 -0.012 0.000 0.194 978 R C 2.233 178.595 176.300 0.105 0.000 0.931 978 R CA 1.129 57.309 56.100 0.133 0.000 1.032 978 R CB 0.183 30.558 30.300 0.125 0.000 0.980 978 R HN 0.321 nan 8.270 nan 0.000 0.497 979 T N -2.759 111.864 114.554 0.115 0.000 3.048 979 T HA 0.228 4.571 4.350 -0.012 0.000 0.254 979 T C 1.267 176.033 174.700 0.110 0.000 0.942 979 T CA 0.883 63.037 62.100 0.090 0.000 0.931 979 T CB 0.704 69.608 68.868 0.060 0.000 1.220 979 T HN 0.307 nan 8.240 nan 0.000 0.503 980 G N 1.243 110.141 108.800 0.163 0.000 2.258 980 G HA2 -0.175 3.778 3.960 -0.012 0.000 0.233 980 G HA3 -0.175 3.778 3.960 -0.012 0.000 0.233 980 G C -0.150 174.858 174.900 0.181 0.000 1.006 980 G CA 0.157 45.381 45.100 0.208 0.000 0.620 980 G HN 0.634 nan 8.290 nan 0.000 0.511 981 E N 2.029 122.287 120.200 0.096 0.000 2.338 981 E HA 0.404 4.747 4.350 -0.012 0.000 0.272 981 E C -2.391 174.196 176.600 -0.023 0.000 1.029 981 E CA -1.606 54.813 56.400 0.031 0.000 0.872 981 E CB 0.914 30.622 29.700 0.013 0.000 1.015 981 E HN 0.184 nan 8.360 nan 0.000 0.417 982 P HA 0.031 nan 4.420 nan 0.000 0.271 982 P C -0.467 176.747 177.300 -0.143 0.000 1.216 982 P CA 0.070 63.019 63.100 -0.253 0.000 0.771 982 P CB 0.426 31.928 31.700 -0.331 0.000 0.864 983 I N 3.731 124.228 120.570 -0.121 0.000 2.574 983 I HA -0.063 4.100 4.170 -0.012 0.000 0.291 983 I C 1.316 177.388 176.117 -0.074 0.000 1.131 983 I CA 0.133 61.392 61.300 -0.069 0.000 1.352 983 I CB -0.220 37.760 38.000 -0.033 0.000 1.431 983 I HN 0.442 nan 8.210 nan 0.000 0.543 984 E N 6.667 126.827 120.200 -0.065 0.000 2.126 984 E HA 0.198 4.540 4.350 -0.012 0.000 0.261 984 E C 0.256 176.830 176.600 -0.044 0.000 1.180 984 E CA -0.088 56.278 56.400 -0.056 0.000 1.055 984 E CB -0.482 29.191 29.700 -0.046 0.000 1.088 984 E HN 0.824 nan 8.360 nan 0.000 0.444 985 G N 2.402 111.176 108.800 -0.044 0.000 2.326 985 G HA2 0.042 3.995 3.960 -0.012 0.000 0.299 985 G HA3 0.042 3.995 3.960 -0.012 0.000 0.299 985 G C -3.115 171.771 174.900 -0.022 0.000 1.643 985 G CA -1.254 43.828 45.100 -0.030 0.000 0.916 985 G HN 0.139 nan 8.290 nan 0.000 0.700 986 P HA 0.455 nan 4.420 nan 0.000 0.267 986 P C -0.014 177.285 177.300 -0.001 0.000 1.200 986 P CA 0.021 63.122 63.100 0.002 0.000 0.772 986 P CB 0.647 32.352 31.700 0.009 0.000 0.855 987 I N 1.664 122.239 120.570 0.007 0.000 2.545 987 I HA 0.260 4.423 4.170 -0.012 0.000 0.292 987 I C -0.076 176.041 176.117 -0.001 0.000 1.040 987 I CA -1.263 60.041 61.300 0.008 0.000 1.068 987 I CB 2.258 40.270 38.000 0.021 0.000 1.251 987 I HN 0.077 nan 8.210 nan 0.000 0.424 988 V N 7.772 127.688 119.914 0.002 0.000 2.686 988 V HA 0.547 4.660 4.120 -0.012 0.000 0.295 988 V C -0.183 175.911 176.094 -0.000 0.000 1.055 988 V CA 0.271 62.572 62.300 0.002 0.000 1.050 988 V CB 1.464 33.332 31.823 0.074 0.000 0.984 988 V HN 0.581 nan 8.190 nan 0.000 0.482 989 V N 3.489 123.388 119.914 -0.026 0.000 3.076 989 V HA 1.153 5.266 4.120 -0.012 0.000 0.311 989 V C -0.030 176.049 176.094 -0.025 0.000 1.346 989 V CA -0.048 62.237 62.300 -0.026 0.000 1.056 989 V CB 1.151 32.943 31.823 -0.051 0.000 1.093 989 V HN 2.323 nan 8.190 nan 0.000 0.468 990 G N -0.219 108.571 108.800 -0.016 0.000 2.340 990 G HA2 0.164 4.117 3.960 -0.012 0.000 0.527 990 G HA3 0.164 4.117 3.960 -0.012 0.000 0.527 990 G C -1.330 173.633 174.900 0.105 0.000 1.381 990 G CA -0.538 44.581 45.100 0.032 0.000 1.001 990 G HN 1.047 nan 8.290 nan 0.000 0.626 991 Q N -0.109 119.805 119.800 0.190 0.000 2.293 991 Q HA 0.476 4.809 4.340 -0.012 0.000 0.263 991 Q C 0.252 176.395 176.000 0.238 0.000 1.002 991 Q CA 0.344 56.295 55.803 0.247 0.000 0.910 991 Q CB 1.307 30.246 28.738 0.334 0.000 1.185 991 Q HN 0.574 nan 8.270 nan 0.000 0.401 992 M N 3.894 123.633 119.600 0.232 0.000 2.259 992 M HA 0.353 4.826 4.480 -0.012 0.000 0.304 992 M C -1.498 174.982 176.300 0.300 0.000 1.019 992 M CA -0.788 54.660 55.300 0.245 0.000 0.922 992 M CB 1.120 33.830 32.600 0.182 0.000 1.600 992 M HN 0.633 nan 8.290 nan 0.000 0.433 993 F N 6.249 126.284 119.950 0.141 0.000 2.543 993 F HA 0.456 4.976 4.527 -0.012 0.000 0.375 993 F C -1.134 174.740 175.800 0.123 0.000 1.075 993 F CA 0.174 58.250 58.000 0.126 0.000 1.225 993 F CB 0.398 39.446 39.000 0.079 0.000 1.099 993 F HN 0.472 nan 8.300 nan 0.000 0.561 994 I N 7.815 128.292 120.570 -0.155 0.000 2.534 994 I HA 0.255 4.418 4.170 -0.012 0.000 0.288 994 I C -0.781 175.217 176.117 -0.197 0.000 1.077 994 I CA -0.702 60.529 61.300 -0.114 0.000 1.051 994 I CB 2.050 40.051 38.000 0.003 0.000 1.234 994 I HN 0.592 nan 8.210 nan 0.000 0.425 995 M N 5.405 124.877 119.600 -0.213 0.000 2.409 995 M HA 0.430 4.903 4.480 -0.012 0.000 0.329 995 M C -0.199 176.092 176.300 -0.015 0.000 1.180 995 M CA -0.481 54.738 55.300 -0.136 0.000 1.053 995 M CB 1.571 34.084 32.600 -0.144 0.000 1.586 995 M HN 0.368 nan 8.290 nan 0.000 0.461 996 K N 1.859 122.293 120.400 0.056 0.000 2.118 996 K HA 0.608 4.921 4.320 -0.012 0.000 0.267 996 K C -1.527 175.063 176.600 -0.017 0.000 0.991 996 K CA -0.480 55.824 56.287 0.028 0.000 0.916 996 K CB 0.896 33.475 32.500 0.132 0.000 1.041 996 K HN 0.668 nan 8.250 nan 0.000 0.455 997 L N 3.882 125.060 121.223 -0.075 0.000 2.322 997 L HA 0.278 4.611 4.340 -0.012 0.000 0.279 997 L C -0.414 176.392 176.870 -0.105 0.000 1.036 997 L CA -1.253 53.545 54.840 -0.071 0.000 0.807 997 L CB 0.881 42.882 42.059 -0.097 0.000 1.226 997 L HN 0.626 nan 8.230 nan 0.000 0.433 998 Y N 3.045 123.269 120.300 -0.126 0.000 2.544 998 Y HA 0.064 4.607 4.550 -0.012 0.000 0.330 998 Y C 0.123 175.963 175.900 -0.099 0.000 1.136 998 Y CA -0.393 57.648 58.100 -0.099 0.000 1.417 998 Y CB -0.094 38.359 38.460 -0.012 0.000 1.229 998 Y HN 0.361 nan 8.280 nan 0.000 0.532 999 H N 7.874 126.773 119.070 -0.284 0.000 2.878 999 H HA 0.121 4.670 4.556 -0.012 0.000 0.290 999 H C 0.601 175.462 175.328 -0.778 0.000 1.065 999 H CA -0.029 55.759 56.048 -0.434 0.000 1.477 999 H CB 0.446 30.083 29.762 -0.208 0.000 1.484 999 H HN 0.745 nan 8.280 nan 0.000 0.504 1000 M N 2.381 121.702 119.600 -0.465 0.000 2.131 1000 M HA -0.093 4.380 4.480 -0.012 0.000 0.283 1000 M C 1.815 178.007 176.300 -0.181 0.000 1.225 1000 M CA 0.147 55.214 55.300 -0.389 0.000 1.153 1000 M CB 0.632 33.114 32.600 -0.197 0.000 1.380 1000 M HN 0.483 nan 8.290 nan 0.000 0.458 1001 V N -0.809 119.061 119.914 -0.073 0.000 3.217 1001 V HA -0.148 3.965 4.120 -0.012 0.000 0.264 1001 V C 1.646 177.777 176.094 0.062 0.000 1.135 1001 V CA 1.536 63.842 62.300 0.010 0.000 1.142 1001 V CB -1.445 30.413 31.823 0.059 0.000 0.754 1001 V HN 0.978 nan 8.190 nan 0.000 0.484 1002 E N 0.977 121.200 120.200 0.038 0.000 2.208 1002 E HA -0.264 4.079 4.350 -0.012 0.000 0.193 1002 E C 1.748 178.385 176.600 0.061 0.000 0.988 1002 E CA 1.393 57.863 56.400 0.117 0.000 0.828 1002 E CB -0.455 29.259 29.700 0.023 0.000 0.763 1002 E HN 0.588 nan 8.360 nan 0.000 0.478 1003 D N 1.853 122.204 120.400 -0.082 0.000 2.149 1003 D HA -0.192 4.441 4.640 -0.012 0.000 0.198 1003 D C 0.688 176.821 176.300 -0.279 0.000 0.990 1003 D CA 0.878 54.744 54.000 -0.224 0.000 0.839 1003 D CB -0.215 40.334 40.800 -0.419 0.000 0.948 1003 D HN 0.058 nan 8.370 nan 0.000 0.460 1004 K N 1.243 121.475 120.400 -0.280 0.000 2.166 1004 K HA -0.138 4.175 4.320 -0.012 0.000 0.258 1004 K C 0.193 176.379 176.600 -0.690 0.000 1.207 1004 K CA -0.181 55.872 56.287 -0.389 0.000 1.227 1004 K CB -0.625 31.693 32.500 -0.304 0.000 0.872 1004 K HN 0.273 nan 8.250 nan 0.000 0.426 1005 M N 5.466 124.813 119.600 -0.423 0.000 2.620 1005 M HA -0.089 4.384 4.480 -0.012 0.000 0.378 1005 M C -0.944 174.950 176.300 -0.676 0.000 1.764 1005 M CA 0.563 55.626 55.300 -0.395 0.000 1.103 1005 M CB 0.090 32.546 32.600 -0.240 0.000 2.145 1005 M HN 0.511 nan 8.290 nan 0.000 0.473 1006 H N 3.947 122.644 119.070 -0.622 0.000 2.534 1006 H HA 0.837 5.386 4.556 -0.012 0.000 0.364 1006 H C -0.417 174.242 175.328 -1.116 0.000 1.328 1006 H CA -0.080 55.116 56.048 -1.420 0.000 1.415 1006 H CB 0.924 30.222 29.762 -0.773 0.000 1.573 1006 H HN 0.821 nan 8.280 nan 0.000 0.601 1007 A N 0.653 122.825 122.820 -1.080 0.000 2.540 1007 A HA 0.399 4.712 4.320 -0.012 0.000 0.315 1007 A C -0.947 176.721 177.584 0.140 0.000 1.037 1007 A CA -0.741 51.138 52.037 -0.264 0.000 0.940 1007 A CB 0.896 19.795 19.000 -0.168 0.000 1.262 1007 A HN 0.645 nan 8.150 nan 0.000 0.377 1008 R N 1.104 121.673 120.500 0.116 0.000 2.892 1008 R HA 0.815 5.148 4.340 -0.012 0.000 0.265 1008 R C 0.616 176.973 176.300 0.095 0.000 1.025 1008 R CA 0.193 56.385 56.100 0.154 0.000 0.982 1008 R CB 1.864 32.239 30.300 0.125 0.000 1.185 1008 R HN 1.331 nan 8.270 nan 0.000 0.484 1009 S N -0.819 114.935 115.700 0.090 0.000 2.590 1009 S HA 0.195 4.658 4.470 -0.012 0.000 0.281 1009 S C -0.723 173.935 174.600 0.097 0.000 1.068 1009 S CA -0.086 58.167 58.200 0.088 0.000 1.193 1009 S CB 0.831 64.088 63.200 0.096 0.000 1.040 1009 S HN 0.597 nan 8.310 nan 0.000 0.544 1010 T N 0.573 115.168 114.554 0.068 0.000 3.579 1010 T HA 0.664 5.007 4.350 -0.012 0.000 0.360 1010 T C -0.463 174.217 174.700 -0.034 0.000 1.285 1010 T CA -0.261 61.871 62.100 0.054 0.000 1.127 1010 T CB 1.122 70.032 68.868 0.070 0.000 1.244 1010 T HN 0.814 nan 8.240 nan 0.000 0.476 1011 G N 2.304 111.005 108.800 -0.164 0.000 2.663 1011 G HA2 0.806 4.759 3.960 -0.012 0.000 0.299 1011 G HA3 0.806 4.759 3.960 -0.012 0.000 0.299 1011 G C -3.160 171.409 174.900 -0.551 0.000 1.372 1011 G CA -1.304 43.637 45.100 -0.264 0.000 0.781 1011 G HN 0.535 nan 8.290 nan 0.000 0.491 1012 P HA 0.348 nan 4.420 nan 0.000 0.282 1012 P C -1.303 175.579 177.300 -0.696 0.000 1.273 1012 P CA 0.253 63.169 63.100 -0.306 0.000 0.809 1012 P CB 0.153 31.773 31.700 -0.133 0.000 1.246 1013 Y N -3.781 116.522 120.300 0.004 0.000 2.565 1013 Y HA 0.270 4.813 4.550 -0.012 0.000 0.330 1013 Y C 0.265 176.171 175.900 0.010 0.000 1.150 1013 Y CA -0.868 57.237 58.100 0.009 0.000 1.055 1013 Y CB 0.892 39.357 38.460 0.008 0.000 1.337 1013 Y HN 0.157 nan 8.280 nan 0.000 0.457 1014 S N 1.862 117.659 115.700 0.161 0.000 2.566 1014 S HA 0.075 4.538 4.470 -0.012 0.000 0.280 1014 S C 1.096 175.752 174.600 0.093 0.000 1.343 1014 S CA -0.301 57.957 58.200 0.097 0.000 1.036 1014 S CB 0.398 63.643 63.200 0.075 0.000 0.866 1014 S HN 0.804 nan 8.310 nan 0.000 0.526 1015 L N 4.112 125.373 121.223 0.064 0.000 1.961 1015 L HA -0.105 4.228 4.340 -0.012 0.000 0.210 1015 L C 2.122 179.020 176.870 0.048 0.000 1.072 1015 L CA 1.657 56.529 54.840 0.052 0.000 0.749 1015 L CB -0.546 41.536 42.059 0.039 0.000 0.889 1015 L HN 0.814 nan 8.230 nan 0.000 0.432 1016 I N -0.992 119.604 120.570 0.043 0.000 2.070 1016 I HA -0.136 4.027 4.170 -0.012 0.000 0.224 1016 I C 1.726 177.871 176.117 0.046 0.000 1.049 1016 I CA 1.344 62.668 61.300 0.040 0.000 1.334 1016 I CB -2.359 35.662 38.000 0.035 0.000 1.095 1016 I HN 0.306 nan 8.210 nan 0.000 0.391 1017 T N 0.492 115.076 114.554 0.050 0.000 2.802 1017 T HA 0.059 4.402 4.350 -0.012 0.000 0.305 1017 T C 0.599 175.340 174.700 0.068 0.000 1.053 1017 T CA -0.123 62.011 62.100 0.056 0.000 1.058 1017 T CB 1.034 69.935 68.868 0.056 0.000 0.988 1017 T HN 0.454 nan 8.240 nan 0.000 0.539 1018 Q N 0.559 120.398 119.800 0.065 0.000 2.155 1018 Q HA 0.121 4.454 4.340 -0.012 0.000 0.220 1018 Q C 0.294 176.372 176.000 0.129 0.000 0.819 1018 Q CA -0.117 55.725 55.803 0.064 0.000 1.032 1018 Q CB 0.567 29.296 28.738 -0.016 0.000 1.151 1018 Q HN 0.920 nan 8.270 nan 0.000 0.487 1019 Q N 0.439 120.328 119.800 0.149 0.000 2.288 1019 Q HA 0.425 4.758 4.340 -0.012 0.000 0.254 1019 Q C -2.427 173.716 176.000 0.239 0.000 0.932 1019 Q CA -1.913 54.002 55.803 0.187 0.000 0.902 1019 Q CB 0.501 29.303 28.738 0.107 0.000 1.203 1019 Q HN -0.205 nan 8.270 nan 0.000 0.415 1020 P HA -0.121 nan 4.420 nan 0.000 0.270 1020 P C -1.256 176.006 177.300 -0.063 0.000 1.181 1020 P CA 0.311 63.399 63.100 -0.020 0.000 0.767 1020 P CB 0.272 31.961 31.700 -0.019 0.000 0.799 1021 L N 0.878 122.001 121.223 -0.167 0.000 2.612 1021 L HA 0.698 5.031 4.340 -0.012 0.000 0.256 1021 L C -0.100 176.706 176.870 -0.106 0.000 0.949 1021 L CA -0.191 54.594 54.840 -0.092 0.000 0.867 1021 L CB 1.684 43.712 42.059 -0.051 0.000 1.417 1021 L HN 0.510 nan 8.230 nan 0.000 0.414 1022 G N 0.148 108.917 108.800 -0.052 0.000 2.702 1022 G HA2 0.770 4.723 3.960 -0.012 0.000 0.254 1022 G HA3 0.770 4.723 3.960 -0.012 0.000 0.254 1022 G C -0.255 174.622 174.900 -0.039 0.000 1.380 1022 G CA -0.037 45.040 45.100 -0.039 0.000 1.042 1022 G HN 1.236 nan 8.290 nan 0.000 0.557 1023 G N -1.480 107.296 108.800 -0.040 0.000 3.019 1023 G HA2 0.141 4.094 3.960 -0.012 0.000 0.125 1023 G HA3 0.141 4.094 3.960 -0.012 0.000 0.125 1023 G C 0.696 175.572 174.900 -0.040 0.000 1.193 1023 G CA 0.331 45.410 45.100 -0.034 0.000 1.432 1023 G HN 0.489 nan 8.290 nan 0.000 0.687 1024 K N 0.035 120.407 120.400 -0.047 0.000 2.099 1024 K HA 0.441 4.754 4.320 -0.012 0.000 0.203 1024 K C 2.359 178.907 176.600 -0.086 0.000 1.047 1024 K CA 1.152 57.414 56.287 -0.041 0.000 0.963 1024 K CB 0.223 32.711 32.500 -0.018 0.000 0.759 1024 K HN 0.314 nan 8.250 nan 0.000 0.451 1025 A N 0.798 123.547 122.820 -0.119 0.000 2.182 1025 A HA 0.094 4.407 4.320 -0.012 0.000 0.222 1025 A C 0.257 177.655 177.584 -0.310 0.000 1.904 1025 A CA -0.062 51.864 52.037 -0.186 0.000 0.808 1025 A CB -0.396 18.530 19.000 -0.123 0.000 1.404 1025 A HN 0.076 nan 8.150 nan 0.000 0.587 1026 Q N -0.031 119.645 119.800 -0.206 0.000 2.333 1026 Q HA 0.279 4.612 4.340 -0.012 0.000 0.299 1026 Q C -1.044 174.841 176.000 -0.191 0.000 1.067 1026 Q CA 0.527 56.222 55.803 -0.180 0.000 0.943 1026 Q CB -0.136 28.547 28.738 -0.092 0.000 1.233 1026 Q HN 0.437 nan 8.270 nan 0.000 0.401 1027 F N 0.339 120.294 119.950 0.008 0.000 2.389 1027 F HA 0.399 4.919 4.527 -0.011 0.000 0.337 1027 F C 1.349 177.138 175.800 -0.017 0.000 1.112 1027 F CA -0.079 57.940 58.000 0.032 0.000 1.192 1027 F CB 0.660 39.704 39.000 0.073 0.000 1.185 1027 F HN 0.524 nan 8.300 nan 0.000 0.552 1028 G N 1.038 109.950 108.800 0.188 0.000 2.503 1028 G HA2 0.438 4.391 3.960 -0.012 0.000 0.257 1028 G HA3 0.438 4.391 3.960 -0.012 0.000 0.257 1028 G C 0.304 175.224 174.900 0.034 0.000 1.214 1028 G CA -0.318 44.812 45.100 0.049 0.000 0.839 1028 G HN 0.938 nan 8.290 nan 0.000 0.559 1029 G N -0.538 108.262 108.800 -0.000 0.000 2.683 1029 G HA2 0.409 4.362 3.960 -0.012 0.000 0.260 1029 G HA3 0.409 4.362 3.960 -0.012 0.000 0.260 1029 G C -0.101 174.797 174.900 -0.003 0.000 1.238 1029 G CA -0.195 44.910 45.100 0.008 0.000 0.934 1029 G HN 0.663 nan 8.290 nan 0.000 0.534 1030 Q N -0.926 118.883 119.800 0.015 0.000 2.245 1030 Q HA 0.386 4.719 4.340 -0.012 0.000 0.256 1030 Q C 0.092 176.119 176.000 0.046 0.000 0.942 1030 Q CA -0.399 55.411 55.803 0.011 0.000 0.896 1030 Q CB 1.010 29.764 28.738 0.027 0.000 1.272 1030 Q HN 0.438 nan 8.270 nan 0.000 0.442 1031 R N 2.810 123.323 120.500 0.022 0.000 2.242 1031 R HA 0.150 4.483 4.340 -0.012 0.000 0.334 1031 R C -0.626 175.713 176.300 0.065 0.000 1.071 1031 R CA -0.242 55.881 56.100 0.038 0.000 0.922 1031 R CB 0.275 30.569 30.300 -0.010 0.000 1.023 1031 R HN 0.553 nan 8.270 nan 0.000 0.458 1032 F N 3.250 123.175 119.950 -0.043 0.000 2.679 1032 F HA 0.145 4.665 4.527 -0.012 0.000 0.351 1032 F C 1.129 176.879 175.800 -0.083 0.000 1.279 1032 F CA -0.245 57.723 58.000 -0.053 0.000 1.227 1032 F CB -0.063 38.918 39.000 -0.033 0.000 1.623 1032 F HN 0.614 nan 8.300 nan 0.000 0.666 1033 G N 3.753 112.389 108.800 -0.273 0.000 2.464 1033 G HA2 -0.117 3.836 3.960 -0.012 0.000 0.231 1033 G HA3 -0.117 3.836 3.960 -0.012 0.000 0.231 1033 G C 1.007 175.661 174.900 -0.410 0.000 1.267 1033 G CA 0.165 45.085 45.100 -0.299 0.000 0.863 1033 G HN 0.824 nan 8.290 nan 0.000 0.559 1034 E N 1.654 121.609 120.200 -0.407 0.000 2.049 1034 E HA -0.307 4.036 4.350 -0.012 0.000 0.198 1034 E C 2.284 178.188 176.600 -1.161 0.000 1.007 1034 E CA 1.645 57.679 56.400 -0.610 0.000 0.809 1034 E CB -0.296 29.072 29.700 -0.554 0.000 0.749 1034 E HN 0.546 nan 8.360 nan 0.000 0.450 1035 M N 0.654 119.532 119.600 -1.204 0.000 2.144 1035 M HA -0.194 4.279 4.480 -0.012 0.000 0.260 1035 M C 1.989 177.970 176.300 -0.532 0.000 1.067 1035 M CA 1.930 56.613 55.300 -1.029 0.000 1.095 1035 M CB -0.132 32.130 32.600 -0.564 0.000 1.365 1035 M HN 0.063 nan 8.290 nan 0.000 0.406 1036 E N -0.437 119.427 120.200 -0.561 0.000 2.204 1036 E HA -0.103 4.240 4.350 -0.012 0.000 0.194 1036 E C 2.010 178.323 176.600 -0.478 0.000 0.989 1036 E CA 0.984 57.009 56.400 -0.626 0.000 0.824 1036 E CB -0.410 28.614 29.700 -1.127 0.000 0.756 1036 E HN 0.321 nan 8.360 nan 0.000 0.477 1037 V N -0.136 119.585 119.914 -0.321 0.000 2.358 1037 V HA -0.207 3.906 4.120 -0.012 0.000 0.246 1037 V C 1.751 178.014 176.094 0.282 0.000 1.047 1037 V CA 1.438 63.819 62.300 0.134 0.000 1.035 1037 V CB -0.563 31.328 31.823 0.112 0.000 0.658 1037 V HN 0.336 nan 8.190 nan 0.000 0.452 1038 W N 0.505 121.835 121.300 0.050 0.000 2.355 1038 W HA -0.054 4.599 4.660 -0.012 0.000 0.309 1038 W C 2.803 179.365 176.519 0.072 0.000 1.206 1038 W CA 1.101 58.476 57.345 0.050 0.000 1.284 1038 W CB -1.743 27.728 29.460 0.018 0.000 1.145 1038 W HN 0.283 nan 8.180 nan 0.000 0.502 1039 A N 0.332 123.329 122.820 0.296 0.000 1.884 1039 A HA -0.223 4.090 4.320 -0.012 0.000 0.219 1039 A C 2.125 179.912 177.584 0.339 0.000 1.197 1039 A CA 2.246 54.431 52.037 0.247 0.000 0.637 1039 A CB -1.106 17.988 19.000 0.158 0.000 0.827 1039 A HN 0.191 nan 8.150 nan 0.000 0.450 1040 L N -0.390 121.015 121.223 0.303 0.000 2.027 1040 L HA -0.117 4.216 4.340 -0.012 0.000 0.206 1040 L C 2.400 179.444 176.870 0.289 0.000 1.074 1040 L CA 2.159 57.184 54.840 0.308 0.000 0.745 1040 L CB -0.779 41.470 42.059 0.317 0.000 0.898 1040 L HN 0.518 nan 8.230 nan 0.000 0.433 1041 E N -0.916 119.446 120.200 0.269 0.000 2.070 1041 E HA -0.297 4.046 4.350 -0.012 0.000 0.197 1041 E C 2.166 178.872 176.600 0.177 0.000 1.004 1041 E CA 1.322 57.850 56.400 0.213 0.000 0.805 1041 E CB -0.244 29.593 29.700 0.228 0.000 0.744 1041 E HN 0.566 nan 8.360 nan 0.000 0.451 1042 A N 0.589 123.516 122.820 0.178 0.000 1.917 1042 A HA -0.178 4.135 4.320 -0.012 0.000 0.219 1042 A C 0.965 178.603 177.584 0.090 0.000 1.182 1042 A CA 1.136 53.230 52.037 0.095 0.000 0.633 1042 A CB -0.693 18.345 19.000 0.063 0.000 0.819 1042 A HN 0.226 nan 8.150 nan 0.000 0.448 1043 Y N -1.238 119.106 120.300 0.072 0.000 2.335 1043 Y HA 0.311 4.854 4.550 -0.012 0.000 0.348 1043 Y C 1.870 177.805 175.900 0.059 0.000 1.280 1043 Y CA 0.401 58.537 58.100 0.061 0.000 1.504 1043 Y CB 0.578 39.078 38.460 0.068 0.000 1.366 1043 Y HN 0.106 nan 8.280 nan 0.000 0.621 1044 G N 0.406 109.380 108.800 0.290 0.000 2.848 1044 G HA2 0.042 3.995 3.960 -0.012 0.000 0.208 1044 G HA3 0.042 3.995 3.960 -0.012 0.000 0.208 1044 G C 0.776 175.770 174.900 0.157 0.000 1.152 1044 G CA 0.323 45.526 45.100 0.172 0.000 0.789 1044 G HN 0.759 nan 8.290 nan 0.000 0.531 1045 A N 0.829 123.755 122.820 0.177 0.000 3.146 1045 A HA 0.457 4.770 4.320 -0.012 0.000 0.260 1045 A C 2.035 179.687 177.584 0.114 0.000 2.029 1045 A CA 0.995 53.090 52.037 0.098 0.000 1.552 1045 A CB -0.808 18.215 19.000 0.039 0.000 0.824 1045 A HN 0.610 nan 8.150 nan 0.000 0.602 1046 A N 1.037 123.936 122.820 0.131 0.000 1.827 1046 A HA -0.196 4.117 4.320 -0.012 0.000 0.215 1046 A C 1.985 179.630 177.584 0.102 0.000 1.212 1046 A CA 1.748 53.859 52.037 0.123 0.000 0.624 1046 A CB -1.092 18.006 19.000 0.164 0.000 0.853 1046 A HN 0.804 nan 8.150 nan 0.000 0.450 1047 H N -0.762 118.306 119.070 -0.002 0.000 2.289 1047 H HA -0.142 4.407 4.556 -0.012 0.000 0.294 1047 H C 2.357 177.661 175.328 -0.039 0.000 1.095 1047 H CA 1.958 57.993 56.048 -0.022 0.000 1.256 1047 H CB -0.689 29.058 29.762 -0.024 0.000 1.359 1047 H HN 0.502 nan 8.280 nan 0.000 0.487 1048 T N 1.454 116.067 114.554 0.098 0.000 2.755 1048 T HA -0.203 4.140 4.350 -0.012 0.000 0.266 1048 T C 2.089 176.752 174.700 -0.062 0.000 1.041 1048 T CA 1.517 63.620 62.100 0.004 0.000 1.147 1048 T CB -0.430 68.437 68.868 -0.003 0.000 0.847 1048 T HN 0.119 nan 8.240 nan 0.000 0.478 1049 L N 0.460 121.668 121.223 -0.025 0.000 2.131 1049 L HA 0.104 4.437 4.340 -0.012 0.000 0.206 1049 L C 2.507 179.316 176.870 -0.103 0.000 1.087 1049 L CA 1.586 56.391 54.840 -0.059 0.000 0.767 1049 L CB -0.503 41.586 42.059 0.049 0.000 0.917 1049 L HN 0.188 nan 8.230 nan 0.000 0.441 1050 Q N -0.896 118.854 119.800 -0.083 0.000 2.230 1050 Q HA -0.213 4.120 4.340 -0.012 0.000 0.202 1050 Q C 1.862 177.798 176.000 -0.106 0.000 0.963 1050 Q CA 1.066 56.809 55.803 -0.100 0.000 0.866 1050 Q CB 0.197 28.853 28.738 -0.137 0.000 0.931 1050 Q HN 0.466 nan 8.270 nan 0.000 0.452 1051 E N 0.452 120.590 120.200 -0.103 0.000 2.023 1051 E HA -0.203 4.140 4.350 -0.012 0.000 0.196 1051 E C 1.712 178.223 176.600 -0.148 0.000 1.003 1051 E CA 1.606 57.946 56.400 -0.099 0.000 0.809 1051 E CB -0.132 29.516 29.700 -0.088 0.000 0.755 1051 E HN 0.277 nan 8.360 nan 0.000 0.449 1052 M N -0.477 118.966 119.600 -0.261 0.000 2.267 1052 M HA -0.093 4.380 4.480 -0.012 0.000 0.263 1052 M C 1.293 177.472 176.300 -0.203 0.000 1.063 1052 M CA 0.819 55.907 55.300 -0.353 0.000 1.090 1052 M CB 0.070 32.153 32.600 -0.862 0.000 1.392 1052 M HN 0.070 nan 8.290 nan 0.000 0.422 1053 L N -0.980 120.157 121.223 -0.143 0.000 2.591 1053 L HA 0.053 4.386 4.340 -0.012 0.000 0.228 1053 L C 1.003 177.842 176.870 -0.052 0.000 1.133 1053 L CA 1.026 55.824 54.840 -0.069 0.000 0.880 1053 L CB -1.320 40.713 42.059 -0.044 0.000 1.033 1053 L HN 0.411 nan 8.230 nan 0.000 0.450 1054 T N -3.155 111.360 114.554 -0.064 0.000 3.444 1054 T HA 0.178 4.521 4.350 -0.012 0.000 0.171 1054 T C 1.634 176.307 174.700 -0.045 0.000 0.918 1054 T CA -0.404 61.663 62.100 -0.054 0.000 0.974 1054 T CB 0.397 69.226 68.868 -0.065 0.000 1.239 1054 T HN -0.138 nan 8.240 nan 0.000 0.300 1055 L N 1.319 122.516 121.223 -0.043 0.000 1.978 1055 L HA -0.215 4.118 4.340 -0.012 0.000 0.235 1055 L C 2.141 179.010 176.870 -0.002 0.000 1.094 1055 L CA 1.876 56.703 54.840 -0.023 0.000 0.814 1055 L CB -0.873 41.175 42.059 -0.018 0.000 0.911 1055 L HN 0.312 nan 8.230 nan 0.000 0.442 1056 K N -0.682 119.714 120.400 -0.006 0.000 2.675 1056 K HA -0.103 4.210 4.320 -0.012 0.000 0.194 1056 K C 1.259 177.894 176.600 0.060 0.000 1.029 1056 K CA 0.837 57.138 56.287 0.023 0.000 0.980 1056 K CB -0.025 32.461 32.500 -0.023 0.000 0.803 1056 K HN 0.370 nan 8.250 nan 0.000 0.493 1057 S N -1.138 114.592 115.700 0.049 0.000 5.037 1057 S HA -0.068 4.395 4.470 -0.012 0.000 0.158 1057 S C 0.209 174.828 174.600 0.032 0.000 1.095 1057 S CA -0.170 58.081 58.200 0.084 0.000 1.338 1057 S CB -0.368 62.867 63.200 0.059 0.000 1.762 1057 S HN 0.178 nan 8.310 nan 0.000 0.498 1058 D N 1.829 122.227 120.400 -0.003 0.000 2.360 1058 D HA 0.291 4.924 4.640 -0.012 0.000 0.210 1058 D C -0.383 175.888 176.300 -0.048 0.000 1.047 1058 D CA 0.171 54.161 54.000 -0.016 0.000 0.854 1058 D CB 0.271 41.075 40.800 0.007 0.000 0.936 1058 D HN 0.307 nan 8.370 nan 0.000 0.514 1059 D N 0.570 120.929 120.400 -0.067 0.000 2.396 1059 D HA 0.142 4.775 4.640 -0.012 0.000 0.225 1059 D C 1.544 177.780 176.300 -0.106 0.000 1.121 1059 D CA -0.317 53.639 54.000 -0.074 0.000 0.853 1059 D CB 0.643 41.406 40.800 -0.061 0.000 1.043 1059 D HN 0.071 nan 8.370 nan 0.000 0.500 1060 I N 2.490 122.997 120.570 -0.106 0.000 2.163 1060 I HA -0.203 3.960 4.170 -0.012 0.000 0.240 1060 I C 2.186 178.251 176.117 -0.087 0.000 1.081 1060 I CA 0.750 61.972 61.300 -0.131 0.000 1.353 1060 I CB 0.009 37.951 38.000 -0.097 0.000 1.054 1060 I HN 0.448 nan 8.210 nan 0.000 0.407 1061 E N 1.107 121.274 120.200 -0.055 0.000 2.085 1061 E HA -0.171 4.171 4.350 -0.012 0.000 0.194 1061 E C 2.058 178.639 176.600 -0.032 0.000 0.994 1061 E CA 1.589 57.967 56.400 -0.036 0.000 0.801 1061 E CB -0.263 29.420 29.700 -0.029 0.000 0.743 1061 E HN 0.471 nan 8.360 nan 0.000 0.453 1062 G N 1.364 110.140 108.800 -0.041 0.000 2.808 1062 G HA2 -0.360 3.593 3.960 -0.012 0.000 0.211 1062 G HA3 -0.360 3.593 3.960 -0.012 0.000 0.211 1062 G C 1.364 176.258 174.900 -0.010 0.000 1.364 1062 G CA 1.498 46.581 45.100 -0.029 0.000 0.824 1062 G HN 0.413 nan 8.290 nan 0.000 0.630 1063 R N 0.394 120.884 120.500 -0.017 0.000 2.189 1063 R HA -0.273 4.060 4.340 -0.012 0.000 0.252 1063 R C 2.128 178.463 176.300 0.059 0.000 1.134 1063 R CA 2.012 58.127 56.100 0.025 0.000 0.954 1063 R CB -1.202 29.101 30.300 0.004 0.000 0.890 1063 R HN 0.308 nan 8.270 nan 0.000 0.443 1064 N N 1.218 119.928 118.700 0.017 0.000 2.005 1064 N HA -0.198 4.535 4.740 -0.012 0.000 0.199 1064 N C 1.957 177.512 175.510 0.075 0.000 1.054 1064 N CA 2.322 55.394 53.050 0.036 0.000 0.864 1064 N CB -0.778 37.706 38.487 -0.006 0.000 1.063 1064 N HN 0.459 nan 8.380 nan 0.000 0.428 1065 A N 0.609 123.452 122.820 0.039 0.000 1.892 1065 A HA -0.119 4.194 4.320 -0.012 0.000 0.218 1065 A C 2.330 179.942 177.584 0.048 0.000 1.188 1065 A CA 2.570 54.628 52.037 0.036 0.000 0.631 1065 A CB -1.290 17.717 19.000 0.012 0.000 0.822 1065 A HN 0.404 nan 8.150 nan 0.000 0.447 1066 A N -1.098 121.750 122.820 0.047 0.000 1.859 1066 A HA -0.194 4.119 4.320 -0.012 0.000 0.217 1066 A C 2.105 179.721 177.584 0.053 0.000 1.198 1066 A CA 2.017 54.079 52.037 0.041 0.000 0.629 1066 A CB -1.219 17.806 19.000 0.043 0.000 0.830 1066 A HN 0.882 nan 8.150 nan 0.000 0.446 1067 Y N 0.489 120.792 120.300 0.004 0.000 1.977 1067 Y HA -0.352 4.191 4.550 -0.012 0.000 0.264 1067 Y C 2.428 178.330 175.900 0.004 0.000 1.167 1067 Y CA 2.831 60.937 58.100 0.010 0.000 1.102 1067 Y CB -0.738 37.732 38.460 0.017 0.000 0.948 1067 Y HN 0.547 nan 8.280 nan 0.000 0.489 1068 E N 0.096 120.339 120.200 0.073 0.000 2.065 1068 E HA -0.337 4.006 4.350 -0.012 0.000 0.201 1068 E C 2.300 178.840 176.600 -0.101 0.000 1.016 1068 E CA 1.451 57.840 56.400 -0.018 0.000 0.818 1068 E CB -0.534 29.230 29.700 0.106 0.000 0.749 1068 E HN 0.619 nan 8.360 nan 0.000 0.453 1069 A N 1.325 124.115 122.820 -0.050 0.000 1.896 1069 A HA -0.273 4.040 4.320 -0.012 0.000 0.220 1069 A C 2.141 179.672 177.584 -0.089 0.000 1.206 1069 A CA 2.190 54.196 52.037 -0.052 0.000 0.647 1069 A CB -0.966 18.016 19.000 -0.031 0.000 0.828 1069 A HN 0.405 nan 8.150 nan 0.000 0.455 1070 I N -0.273 120.216 120.570 -0.135 0.000 2.036 1070 I HA -0.287 3.876 4.170 -0.012 0.000 0.231 1070 I C 2.283 178.299 176.117 -0.168 0.000 1.044 1070 I CA 1.380 62.589 61.300 -0.152 0.000 1.315 1070 I CB -0.713 37.168 38.000 -0.197 0.000 1.051 1070 I HN 0.255 nan 8.210 nan 0.000 0.391 1071 I N 0.991 121.398 120.570 -0.272 0.000 2.178 1071 I HA -0.400 3.763 4.170 -0.012 0.000 0.243 1071 I C 2.565 178.613 176.117 -0.116 0.000 1.019 1071 I CA 2.026 63.195 61.300 -0.219 0.000 1.294 1071 I CB -1.565 36.269 38.000 -0.276 0.000 0.996 1071 I HN 0.399 nan 8.210 nan 0.000 0.415 1072 K N 0.184 120.527 120.400 -0.095 0.000 2.025 1072 K HA -0.015 4.298 4.320 -0.012 0.000 0.207 1072 K C 1.280 177.850 176.600 -0.050 0.000 1.049 1072 K CA 1.296 57.550 56.287 -0.055 0.000 0.933 1072 K CB -0.497 31.979 32.500 -0.039 0.000 0.714 1072 K HN 0.578 nan 8.250 nan 0.000 0.438 1073 G N 1.847 110.612 108.800 -0.058 0.000 2.678 1073 G HA2 -0.110 3.843 3.960 -0.012 0.000 0.175 1073 G HA3 -0.110 3.843 3.960 -0.012 0.000 0.175 1073 G C -0.685 174.192 174.900 -0.039 0.000 1.078 1073 G CA -0.245 44.826 45.100 -0.047 0.000 0.864 1073 G HN 0.192 nan 8.290 nan 0.000 0.521 1074 E N -0.045 120.130 120.200 -0.041 0.000 2.416 1074 E HA 0.454 4.797 4.350 -0.012 0.000 0.273 1074 E C -1.376 175.205 176.600 -0.032 0.000 0.935 1074 E CA -0.940 55.441 56.400 -0.032 0.000 0.784 1074 E CB 1.977 31.662 29.700 -0.026 0.000 1.301 1074 E HN 0.028 nan 8.360 nan 0.000 0.454 1075 D N 1.810 122.194 120.400 -0.026 0.000 2.425 1075 D HA 0.086 4.719 4.640 -0.012 0.000 0.247 1075 D C 0.248 176.537 176.300 -0.018 0.000 1.147 1075 D CA -0.092 53.894 54.000 -0.023 0.000 0.879 1075 D CB 0.913 41.700 40.800 -0.021 0.000 1.179 1075 D HN 0.343 nan 8.370 nan 0.000 0.456 1076 V N 2.712 122.616 119.914 -0.016 0.000 3.098 1076 V HA 0.116 4.229 4.120 -0.012 0.000 0.298 1076 V C -2.269 173.823 176.094 -0.003 0.000 1.200 1076 V CA -1.010 61.284 62.300 -0.010 0.000 1.321 1076 V CB -0.353 31.467 31.823 -0.005 0.000 0.947 1076 V HN 0.522 nan 8.190 nan 0.000 0.513 1077 P HA 0.269 nan 4.420 nan 0.000 0.276 1077 P C -0.378 176.919 177.300 -0.005 0.000 1.253 1077 P CA -0.146 62.952 63.100 -0.004 0.000 0.766 1077 P CB 0.237 31.934 31.700 -0.005 0.000 0.845 1078 E N 4.954 125.153 120.200 -0.003 0.000 2.820 1078 E HA -0.066 4.277 4.350 -0.012 0.000 0.251 1078 E C -1.756 174.826 176.600 -0.028 0.000 0.944 1078 E CA -0.913 55.483 56.400 -0.007 0.000 0.955 1078 E CB -0.472 29.224 29.700 -0.007 0.000 0.904 1078 E HN 0.369 nan 8.360 nan 0.000 0.513 1079 P HA -0.143 nan 4.420 nan 0.000 0.261 1079 P C -0.235 177.023 177.300 -0.070 0.000 1.158 1079 P CA 0.499 63.566 63.100 -0.056 0.000 0.758 1079 P CB 0.696 32.353 31.700 -0.072 0.000 0.763 1080 S N 1.045 116.703 115.700 -0.069 0.000 2.240 1080 S HA 0.237 4.700 4.470 -0.012 0.000 0.154 1080 S C 0.609 175.140 174.600 -0.116 0.000 1.332 1080 S CA 0.105 58.255 58.200 -0.082 0.000 2.219 1080 S CB 0.058 63.218 63.200 -0.067 0.000 0.433 1080 S HN 0.329 nan 8.310 nan 0.000 0.355 1081 V N 1.124 120.964 119.914 -0.123 0.000 3.130 1081 V HA 0.527 4.640 4.120 -0.012 0.000 0.310 1081 V C -2.963 173.068 176.094 -0.106 0.000 1.158 1081 V CA -2.285 59.914 62.300 -0.168 0.000 1.029 1081 V CB 1.257 32.927 31.823 -0.255 0.000 1.057 1081 V HN 0.345 nan 8.190 nan 0.000 0.436 1082 P HA 0.410 nan 4.420 nan 0.000 0.290 1082 P C 0.389 177.712 177.300 0.039 0.000 1.275 1082 P CA -0.418 62.675 63.100 -0.011 0.000 0.841 1082 P CB 1.241 32.955 31.700 0.023 0.000 1.042 1083 E N 0.915 121.141 120.200 0.044 0.000 2.106 1083 E HA -0.123 4.220 4.350 -0.012 0.000 0.192 1083 E C 1.792 178.461 176.600 0.114 0.000 0.984 1083 E CA 1.563 58.010 56.400 0.079 0.000 0.806 1083 E CB -0.492 29.241 29.700 0.055 0.000 0.750 1083 E HN 0.517 nan 8.360 nan 0.000 0.458 1084 S N 0.681 116.439 115.700 0.097 0.000 2.413 1084 S HA -0.236 4.227 4.470 -0.012 0.000 0.237 1084 S C 1.901 176.572 174.600 0.118 0.000 1.044 1084 S CA 1.454 59.711 58.200 0.095 0.000 1.024 1084 S CB -0.613 62.637 63.200 0.084 0.000 0.829 1084 S HN 0.293 nan 8.310 nan 0.000 0.475 1085 F N 2.588 122.531 119.950 -0.011 0.000 2.147 1085 F HA 0.270 4.790 4.527 -0.012 0.000 0.291 1085 F C 2.538 178.318 175.800 -0.032 0.000 1.093 1085 F CA 0.570 58.551 58.000 -0.031 0.000 1.263 1085 F CB -0.295 38.663 39.000 -0.069 0.000 1.036 1085 F HN -0.032 nan 8.300 nan 0.000 0.481 1086 R N 0.048 120.759 120.500 0.351 0.000 2.117 1086 R HA -0.158 4.175 4.340 -0.012 0.000 0.243 1086 R C 2.022 178.522 176.300 0.335 0.000 1.143 1086 R CA 1.742 57.992 56.100 0.250 0.000 0.968 1086 R CB -0.928 29.492 30.300 0.200 0.000 0.863 1086 R HN 0.270 nan 8.270 nan 0.000 0.444 1087 V N 1.208 121.239 119.914 0.196 0.000 2.626 1087 V HA -0.180 3.933 4.120 -0.012 0.000 0.252 1087 V C 2.153 178.290 176.094 0.071 0.000 1.067 1087 V CA 1.214 63.593 62.300 0.133 0.000 1.081 1087 V CB -0.362 31.511 31.823 0.083 0.000 0.686 1087 V HN 0.269 nan 8.190 nan 0.000 0.468 1088 L N -0.499 120.721 121.223 -0.004 0.000 2.109 1088 L HA -0.074 4.259 4.340 -0.012 0.000 0.207 1088 L C 2.316 179.139 176.870 -0.079 0.000 1.086 1088 L CA 1.238 56.020 54.840 -0.097 0.000 0.760 1088 L CB -0.030 41.877 42.059 -0.254 0.000 0.910 1088 L HN 0.123 nan 8.230 nan 0.000 0.437 1089 V N -0.301 119.595 119.914 -0.030 0.000 2.270 1089 V HA -0.227 3.886 4.120 -0.012 0.000 0.245 1089 V C 2.586 178.772 176.094 0.155 0.000 1.043 1089 V CA 1.541 63.897 62.300 0.092 0.000 1.014 1089 V CB -0.639 31.366 31.823 0.303 0.000 0.645 1089 V HN 0.355 nan 8.190 nan 0.000 0.447 1090 K N -0.007 120.519 120.400 0.210 0.000 2.097 1090 K HA -0.144 4.169 4.320 -0.012 0.000 0.205 1090 K C 2.085 178.704 176.600 0.032 0.000 1.050 1090 K CA 1.284 57.613 56.287 0.070 0.000 0.938 1090 K CB -0.257 32.247 32.500 0.008 0.000 0.718 1090 K HN 0.582 nan 8.250 nan 0.000 0.442 1091 E N 0.908 121.129 120.200 0.035 0.000 2.031 1091 E HA -0.106 4.237 4.350 -0.012 0.000 0.193 1091 E C 2.103 178.704 176.600 0.001 0.000 0.994 1091 E CA 0.783 57.190 56.400 0.011 0.000 0.800 1091 E CB -0.064 29.639 29.700 0.005 0.000 0.752 1091 E HN 0.117 nan 8.360 nan 0.000 0.447 1092 L N 0.548 121.767 121.223 -0.006 0.000 2.083 1092 L HA -0.229 4.104 4.340 -0.012 0.000 0.209 1092 L C 2.512 179.382 176.870 -0.000 0.000 1.083 1092 L CA 1.306 56.138 54.840 -0.013 0.000 0.752 1092 L CB -0.139 41.900 42.059 -0.034 0.000 0.899 1092 L HN 0.282 nan 8.230 nan 0.000 0.433 1093 Q N -1.038 118.769 119.800 0.012 0.000 2.291 1093 Q HA -0.185 4.148 4.340 -0.012 0.000 0.206 1093 Q C 2.179 178.179 176.000 0.000 0.000 0.976 1093 Q CA 1.124 56.934 55.803 0.012 0.000 0.875 1093 Q CB -0.080 28.669 28.738 0.019 0.000 0.927 1093 Q HN 0.616 nan 8.270 nan 0.000 0.450 1094 A N 0.314 123.133 122.820 -0.003 0.000 2.070 1094 A HA -0.059 4.254 4.320 -0.012 0.000 0.220 1094 A C 0.825 178.406 177.584 -0.004 0.000 1.159 1094 A CA 0.681 52.714 52.037 -0.006 0.000 0.656 1094 A CB -0.109 18.888 19.000 -0.005 0.000 0.800 1094 A HN 0.219 nan 8.150 nan 0.000 0.453 1095 L N -1.026 120.195 121.223 -0.002 0.000 2.275 1095 L HA 0.445 4.778 4.340 -0.012 0.000 0.288 1095 L C 1.438 178.308 176.870 -0.000 0.000 1.046 1095 L CA -0.264 54.575 54.840 -0.002 0.000 0.805 1095 L CB 1.394 43.452 42.059 -0.003 0.000 1.193 1095 L HN 0.201 nan 8.230 nan 0.000 0.426 1096 A N 4.805 127.625 122.820 -0.000 0.000 2.354 1096 A HA -0.106 4.207 4.320 -0.012 0.000 0.214 1096 A C 0.765 178.351 177.584 0.003 0.000 1.232 1096 A CA 0.942 52.980 52.037 0.002 0.000 0.699 1096 A CB -1.033 17.968 19.000 0.001 0.000 0.774 1096 A HN 0.555 nan 8.150 nan 0.000 0.512 1097 L N 0.501 121.726 121.223 0.003 0.000 2.276 1097 L HA 0.260 4.593 4.340 -0.012 0.000 0.286 1097 L C -0.210 176.665 176.870 0.009 0.000 1.061 1097 L CA -0.671 54.171 54.840 0.004 0.000 0.807 1097 L CB 1.011 43.070 42.059 -0.001 0.000 1.177 1097 L HN 0.218 nan 8.230 nan 0.000 0.429 1098 D N 3.406 123.814 120.400 0.014 0.000 2.249 1098 D HA 0.309 4.942 4.640 -0.012 0.000 0.246 1098 D C -0.739 175.577 176.300 0.026 0.000 1.114 1098 D CA -0.296 53.718 54.000 0.024 0.000 0.854 1098 D CB 1.726 42.541 40.800 0.026 0.000 1.132 1098 D HN 0.121 nan 8.370 nan 0.000 0.461 1099 V N 4.878 124.814 119.914 0.038 0.000 2.266 1099 V HA 0.289 4.402 4.120 -0.012 0.000 0.271 1099 V C -0.120 176.015 176.094 0.069 0.000 1.032 1099 V CA -0.751 61.569 62.300 0.033 0.000 0.806 1099 V CB 0.504 32.326 31.823 -0.002 0.000 1.052 1099 V HN 0.581 nan 8.190 nan 0.000 0.449 1100 Q N 3.039 122.878 119.800 0.066 0.000 2.333 1100 Q HA 0.505 4.838 4.340 -0.012 0.000 0.265 1100 Q C 0.501 176.545 176.000 0.073 0.000 0.989 1100 Q CA -0.451 55.400 55.803 0.081 0.000 0.842 1100 Q CB 1.808 30.587 28.738 0.069 0.000 1.262 1100 Q HN 0.869 nan 8.270 nan 0.000 0.451 1101 T N 0.890 115.496 114.554 0.086 0.000 2.734 1101 T HA 0.354 4.697 4.350 -0.012 0.000 0.314 1101 T C -0.053 174.670 174.700 0.038 0.000 1.057 1101 T CA -0.273 61.867 62.100 0.068 0.000 1.047 1101 T CB 0.526 69.425 68.868 0.051 0.000 0.991 1101 T HN 0.411 nan 8.240 nan 0.000 0.540 1102 L N 0.247 121.485 121.223 0.025 0.000 2.301 1102 L HA 0.668 5.001 4.340 -0.012 0.000 0.249 1102 L C 0.029 176.902 176.870 0.004 0.000 1.069 1102 L CA -0.741 54.108 54.840 0.016 0.000 0.865 1102 L CB 2.109 44.179 42.059 0.018 0.000 1.467 1102 L HN 0.797 nan 8.230 nan 0.000 0.419 1103 D N -1.170 119.232 120.400 0.003 0.000 2.658 1103 D HA 0.253 4.886 4.640 -0.012 0.000 0.243 1103 D C 0.561 176.861 176.300 -0.001 0.000 1.159 1103 D CA -0.314 53.685 54.000 -0.002 0.000 1.084 1103 D CB 0.981 41.780 40.800 -0.002 0.000 1.227 1103 D HN 0.439 nan 8.370 nan 0.000 0.636 1104 E N 0.505 120.704 120.200 -0.002 0.000 2.005 1104 E HA -0.070 4.273 4.350 -0.012 0.000 0.198 1104 E C 0.222 176.823 176.600 0.002 0.000 1.010 1104 E CA 1.421 57.821 56.400 -0.001 0.000 0.825 1104 E CB -0.132 29.567 29.700 -0.001 0.000 0.769 1104 E HN 0.215 nan 8.360 nan 0.000 0.456 1105 K N 1.236 121.638 120.400 0.002 0.000 2.138 1105 K HA 0.080 4.393 4.320 -0.012 0.000 0.251 1105 K C -0.403 176.200 176.600 0.005 0.000 1.015 1105 K CA -0.223 56.066 56.287 0.004 0.000 0.917 1105 K CB 0.334 32.837 32.500 0.004 0.000 1.021 1105 K HN 0.015 nan 8.250 nan 0.000 0.485 1106 D N 2.170 122.574 120.400 0.007 0.000 2.745 1106 D HA 0.019 4.652 4.640 -0.012 0.000 0.229 1106 D C -0.589 175.717 176.300 0.010 0.000 1.088 1106 D CA 0.488 54.493 54.000 0.009 0.000 1.054 1106 D CB -0.438 40.368 40.800 0.010 0.000 1.132 1106 D HN 0.254 nan 8.370 nan 0.000 0.464 1107 N N 1.468 120.173 118.700 0.009 0.000 2.362 1107 N HA 0.283 5.015 4.740 -0.012 0.000 0.298 1107 N C -2.466 173.051 175.510 0.012 0.000 1.048 1107 N CA -1.499 51.557 53.050 0.010 0.000 0.858 1107 N CB 2.104 40.595 38.487 0.008 0.000 1.218 1107 N HN -0.116 nan 8.380 nan 0.000 0.488 1108 P HA -0.065 nan 4.420 nan 0.000 0.269 1108 P C -0.755 176.553 177.300 0.014 0.000 1.200 1108 P CA 0.182 63.294 63.100 0.021 0.000 0.779 1108 P CB 0.636 32.352 31.700 0.026 0.000 0.841 1109 V N 1.087 121.010 119.914 0.015 0.000 2.752 1109 V HA 0.204 4.317 4.120 -0.012 0.000 0.302 1109 V C -0.771 175.326 176.094 0.003 0.000 1.133 1109 V CA -0.503 61.796 62.300 -0.001 0.000 0.919 1109 V CB 2.085 33.897 31.823 -0.018 0.000 1.026 1109 V HN 0.426 nan 8.190 nan 0.000 0.429 1110 D N 3.835 124.238 120.400 0.005 0.000 2.380 1110 D HA 0.380 5.013 4.640 -0.012 0.000 0.230 1110 D C 1.117 177.401 176.300 -0.027 0.000 1.154 1110 D CA -0.324 53.690 54.000 0.024 0.000 0.859 1110 D CB 1.136 41.967 40.800 0.052 0.000 1.045 1110 D HN 0.555 nan 8.370 nan 0.000 0.495 1111 I N 0.431 120.940 120.570 -0.101 0.000 2.094 1111 I HA -0.010 4.153 4.170 -0.012 0.000 0.234 1111 I C 0.775 176.779 176.117 -0.189 0.000 1.063 1111 I CA 0.521 61.666 61.300 -0.258 0.000 1.328 1111 I CB -0.693 37.013 38.000 -0.490 0.000 1.058 1111 I HN 0.048 nan 8.210 nan 0.000 0.400 1112 F N 4.381 124.345 119.950 0.023 0.000 2.574 1112 F HA 0.062 4.582 4.527 -0.012 0.000 0.332 1112 F C 0.872 176.675 175.800 0.006 0.000 1.289 1112 F CA -0.566 57.445 58.000 0.018 0.000 1.029 1112 F CB -0.999 38.019 39.000 0.030 0.000 1.346 1112 F HN 0.261 nan 8.300 nan 0.000 0.647 1113 E N 1.674 121.943 120.200 0.115 0.000 2.786 1113 E HA -0.055 4.288 4.350 -0.012 0.000 0.229 1113 E C 1.430 178.074 176.600 0.074 0.000 1.181 1113 E CA 0.481 56.922 56.400 0.067 0.000 0.945 1113 E CB -0.651 29.067 29.700 0.029 0.000 1.004 1113 E HN 0.952 nan 8.360 nan 0.000 0.515 1114 G N 3.321 112.167 108.800 0.076 0.000 2.343 1114 G HA2 -0.408 3.545 3.960 -0.012 0.000 0.264 1114 G HA3 -0.408 3.545 3.960 -0.012 0.000 0.264 1114 G C 0.789 175.720 174.900 0.051 0.000 0.989 1114 G CA 0.745 45.879 45.100 0.056 0.000 0.627 1114 G HN 0.505 nan 8.290 nan 0.000 0.549 1115 L N 0.219 121.480 121.223 0.063 0.000 2.642 1115 L HA 0.497 4.829 4.340 -0.012 0.000 0.236 1115 L C 2.509 179.382 176.870 0.005 0.000 1.169 1115 L CA 1.859 56.719 54.840 0.034 0.000 0.851 1115 L CB -0.453 41.631 42.059 0.041 0.000 0.968 1115 L HN 0.502 nan 8.230 nan 0.000 0.453 1116 A N -1.743 121.090 122.820 0.020 0.000 2.503 1116 A HA 0.348 4.661 4.320 -0.012 0.000 0.263 1116 A C 0.847 178.431 177.584 0.000 0.000 1.258 1116 A CA -0.238 51.785 52.037 -0.023 0.000 0.936 1116 A CB -0.026 18.952 19.000 -0.037 0.000 1.070 1116 A HN 0.193 nan 8.150 nan 0.000 0.522 1117 S N 2.377 118.085 115.700 0.013 0.000 2.409 1117 S HA 0.240 4.703 4.470 -0.012 0.000 0.308 1117 S C 0.099 174.701 174.600 0.002 0.000 1.080 1117 S CA -0.683 57.525 58.200 0.013 0.000 1.081 1117 S CB 0.231 63.442 63.200 0.019 0.000 1.009 1117 S HN 0.613 nan 8.310 nan 0.000 0.502 1118 K N 4.390 124.788 120.400 -0.003 0.000 2.404 1118 K HA -0.027 4.286 4.320 -0.012 0.000 0.271 1118 K C 0.058 176.655 176.600 -0.004 0.000 1.130 1118 K CA -0.176 56.107 56.287 -0.007 0.000 1.181 1118 K CB 0.098 32.594 32.500 -0.008 0.000 0.840 1118 K HN 0.339 nan 8.250 nan 0.000 0.483 1119 R N 0.000 120.497 120.500 -0.006 0.000 2.786 1119 R HA 0.000 4.333 4.340 -0.012 0.000 0.208 1119 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 1119 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535