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 1t9y_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQAKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE DDAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQFSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGMSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.309 176.300 0.014 0.000 2.045 7 D CA 0.000 54.022 54.000 0.037 0.000 0.868 7 D CB 0.000 40.832 40.800 0.054 0.000 0.688 8 R N 1.125 121.634 120.500 0.015 0.000 2.711 8 R HA 0.509 4.849 4.340 -0.000 0.000 0.284 8 R C -1.821 174.433 176.300 -0.077 0.000 0.968 8 R CA -1.466 54.592 56.100 -0.070 0.000 0.924 8 R CB 2.505 32.719 30.300 -0.143 0.000 1.162 8 R HN -0.001 nan 8.270 nan 0.000 0.465 9 P HA -0.119 nan 4.420 nan 0.000 0.206 9 P C 1.434 178.654 177.300 -0.132 0.000 1.212 9 P CA 0.899 63.903 63.100 -0.161 0.000 0.919 9 P CB -0.150 31.402 31.700 -0.246 0.000 0.755 10 I N -0.980 119.455 120.570 -0.225 0.000 2.093 10 I HA -0.310 3.860 4.170 -0.000 0.000 0.239 10 I C 2.506 178.690 176.117 0.111 0.000 1.026 10 I CA 1.865 63.096 61.300 -0.116 0.000 1.295 10 I CB -2.522 35.349 38.000 -0.217 0.000 1.007 10 I HN -0.085 nan 8.210 nan 0.000 0.401 11 F N 1.614 121.609 119.950 0.075 0.000 2.161 11 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 11 F C 2.832 178.695 175.800 0.106 0.000 1.089 11 F CA 1.054 59.101 58.000 0.078 0.000 1.282 11 F CB -0.529 38.502 39.000 0.051 0.000 1.010 11 F HN 0.251 nan 8.300 nan 0.000 0.485 12 A N -0.647 122.356 122.820 0.304 0.000 1.929 12 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 12 A C 1.752 179.499 177.584 0.271 0.000 1.176 12 A CA 0.988 53.173 52.037 0.248 0.000 0.628 12 A CB -1.119 18.016 19.000 0.225 0.000 0.816 12 A HN 0.506 nan 8.150 nan 0.000 0.444 13 W N -0.211 121.124 121.300 0.060 0.000 2.465 13 W HA -0.018 4.642 4.660 -0.000 0.000 0.268 13 W C 2.101 178.653 176.519 0.054 0.000 1.242 13 W CA 1.241 58.613 57.345 0.045 0.000 1.248 13 W CB -0.247 29.231 29.460 0.029 0.000 1.118 13 W HN 0.142 nan 8.180 nan 0.000 0.587 14 V N -0.092 119.986 119.914 0.274 0.000 2.719 14 V HA -0.228 3.891 4.120 -0.000 0.000 0.252 14 V C 2.088 178.248 176.094 0.109 0.000 1.065 14 V CA 0.934 63.344 62.300 0.184 0.000 1.086 14 V CB -0.514 31.428 31.823 0.198 0.000 0.700 14 V HN 0.022 nan 8.190 nan 0.000 0.467 15 I N 0.848 121.481 120.570 0.104 0.000 2.315 15 I HA -0.182 3.987 4.170 -0.000 0.000 0.248 15 I C 2.585 178.711 176.117 0.014 0.000 1.117 15 I CA 1.856 63.188 61.300 0.054 0.000 1.404 15 I CB -1.043 36.992 38.000 0.058 0.000 1.071 15 I HN 0.337 nan 8.210 nan 0.000 0.419 16 A N 0.436 123.247 122.820 -0.016 0.000 2.014 16 A HA -0.053 4.266 4.320 -0.000 0.000 0.218 16 A C 2.241 179.776 177.584 -0.081 0.000 1.163 16 A CA 0.839 52.822 52.037 -0.091 0.000 0.652 16 A CB -0.473 18.392 19.000 -0.224 0.000 0.808 16 A HN 0.368 nan 8.150 nan 0.000 0.449 17 I N -0.724 119.826 120.570 -0.033 0.000 2.876 17 I HA -0.095 4.075 4.170 -0.000 0.000 0.264 17 I C 1.994 178.115 176.117 0.006 0.000 1.204 17 I CA 0.532 61.827 61.300 -0.009 0.000 1.485 17 I CB -0.051 37.976 38.000 0.045 0.000 1.103 17 I HN 0.271 nan 8.210 nan 0.000 0.446 18 I N 0.625 121.202 120.570 0.012 0.000 2.315 18 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 18 I C 2.197 178.317 176.117 0.005 0.000 1.117 18 I CA 1.593 62.900 61.300 0.011 0.000 1.404 18 I CB -0.015 37.992 38.000 0.013 0.000 1.071 18 I HN 0.143 nan 8.210 nan 0.000 0.419 19 I N -0.408 120.160 120.570 -0.004 0.000 2.761 19 I HA -0.207 3.963 4.170 -0.000 0.000 0.261 19 I C 2.311 178.432 176.117 0.006 0.000 1.198 19 I CA 0.544 61.843 61.300 -0.001 0.000 1.482 19 I CB -0.170 37.821 38.000 -0.016 0.000 1.100 19 I HN 0.206 nan 8.210 nan 0.000 0.445 20 M N 0.069 119.664 119.600 -0.009 0.000 2.175 20 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 20 M C 2.248 178.554 176.300 0.010 0.000 1.063 20 M CA 1.763 57.060 55.300 -0.005 0.000 1.119 20 M CB -0.516 32.071 32.600 -0.022 0.000 1.377 20 M HN 0.265 nan 8.290 nan 0.000 0.415 21 L N -0.803 120.427 121.223 0.010 0.000 2.056 21 L HA 0.012 4.352 4.340 -0.000 0.000 0.202 21 L C 2.721 179.600 176.870 0.014 0.000 1.086 21 L CA 0.891 55.738 54.840 0.011 0.000 0.758 21 L CB -1.189 40.876 42.059 0.010 0.000 0.912 21 L HN 0.174 nan 8.230 nan 0.000 0.446 22 A N 0.579 123.409 122.820 0.016 0.000 1.978 22 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 22 A C 2.293 179.902 177.584 0.041 0.000 1.170 22 A CA 1.913 53.962 52.037 0.019 0.000 0.636 22 A CB -1.239 17.768 19.000 0.013 0.000 0.810 22 A HN 0.517 nan 8.150 nan 0.000 0.448 23 G N -0.769 108.068 108.800 0.061 0.000 2.394 23 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 23 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 23 G C 1.421 176.394 174.900 0.122 0.000 1.176 23 G CA 0.994 46.172 45.100 0.130 0.000 0.786 23 G HN 0.739 nan 8.290 nan 0.000 0.533 24 G N 0.187 109.021 108.800 0.057 0.000 2.848 24 G HA2 0.056 4.016 3.960 -0.000 0.000 0.208 24 G HA3 0.056 4.016 3.960 -0.000 0.000 0.208 24 G C 1.456 176.331 174.900 -0.041 0.000 1.152 24 G CA 0.600 45.694 45.100 -0.009 0.000 0.789 24 G HN 0.381 nan 8.290 nan 0.000 0.531 25 L N 0.267 121.480 121.223 -0.018 0.000 2.354 25 L HA 0.374 4.714 4.340 -0.000 0.000 0.212 25 L C 2.401 179.251 176.870 -0.033 0.000 1.091 25 L CA 1.752 56.577 54.840 -0.024 0.000 0.828 25 L CB -0.876 41.178 42.059 -0.008 0.000 0.973 25 L HN 0.173 nan 8.230 nan 0.000 0.461 26 A N 0.332 123.140 122.820 -0.021 0.000 1.969 26 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 26 A C 2.168 179.694 177.584 -0.097 0.000 1.169 26 A CA 1.553 53.580 52.037 -0.016 0.000 0.635 26 A CB -0.584 18.457 19.000 0.068 0.000 0.810 26 A HN 0.437 nan 8.150 nan 0.000 0.445 27 I N -1.204 119.235 120.570 -0.218 0.000 2.546 27 I HA -0.089 4.081 4.170 -0.000 0.000 0.255 27 I C 1.730 177.744 176.117 -0.172 0.000 1.163 27 I CA 0.844 61.952 61.300 -0.321 0.000 1.457 27 I CB 0.070 37.754 38.000 -0.527 0.000 1.092 27 I HN 0.220 nan 8.210 nan 0.000 0.434 28 L N -0.279 120.875 121.223 -0.115 0.000 2.509 28 L HA 0.099 4.439 4.340 -0.000 0.000 0.222 28 L C 1.220 178.060 176.870 -0.051 0.000 1.123 28 L CA 0.842 55.638 54.840 -0.073 0.000 0.856 28 L CB -0.156 41.869 42.059 -0.056 0.000 0.985 28 L HN -0.001 nan 8.230 nan 0.000 0.456 29 K N 0.615 120.987 120.400 -0.047 0.000 3.350 29 K HA 0.372 4.692 4.320 -0.000 0.000 0.181 29 K C -1.405 175.185 176.600 -0.018 0.000 1.064 29 K CA -0.147 56.124 56.287 -0.027 0.000 0.839 29 K CB 0.584 33.072 32.500 -0.020 0.000 0.819 29 K HN 0.053 nan 8.250 nan 0.000 0.523 30 L N -1.133 120.078 121.223 -0.021 0.000 2.672 30 L HA 0.578 4.917 4.340 -0.000 0.000 0.256 30 L C -2.841 174.029 176.870 -0.000 0.000 0.946 30 L CA -1.297 53.543 54.840 -0.000 0.000 0.889 30 L CB 1.754 43.824 42.059 0.020 0.000 1.441 30 L HN -0.020 nan 8.230 nan 0.000 0.418 31 P HA 0.027 nan 4.420 nan 0.000 0.266 31 P C 0.031 177.338 177.300 0.012 0.000 1.186 31 P CA -0.110 63.000 63.100 0.017 0.000 0.767 31 P CB 0.618 32.338 31.700 0.033 0.000 0.820 32 V N -0.550 119.364 119.914 0.000 0.000 3.070 32 V HA 0.364 4.484 4.120 -0.000 0.000 0.345 32 V C 0.912 176.996 176.094 -0.017 0.000 1.403 32 V CA -0.096 62.197 62.300 -0.012 0.000 1.155 32 V CB -0.187 31.619 31.823 -0.029 0.000 1.140 32 V HN 0.652 nan 8.190 nan 0.000 0.505 33 A N -0.116 122.699 122.820 -0.009 0.000 2.336 33 A HA 0.620 4.940 4.320 -0.000 0.000 0.278 33 A C 0.678 178.219 177.584 -0.071 0.000 1.371 33 A CA -0.191 51.833 52.037 -0.021 0.000 0.842 33 A CB 0.244 19.248 19.000 0.007 0.000 1.363 33 A HN 0.316 nan 8.150 nan 0.000 0.517 34 Q N -1.179 118.557 119.800 -0.107 0.000 2.677 34 Q HA 0.160 4.500 4.340 -0.000 0.000 0.187 34 Q C -0.614 175.252 176.000 -0.222 0.000 1.146 34 Q CA 0.260 55.885 55.803 -0.296 0.000 1.224 34 Q CB -0.276 28.259 28.738 -0.338 0.000 1.268 34 Q HN 0.574 nan 8.270 nan 0.000 0.674 35 Y N 0.317 120.623 120.300 0.010 0.000 2.960 35 Y HA -0.067 4.482 4.550 -0.000 0.000 0.345 35 Y C -1.552 174.355 175.900 0.012 0.000 1.277 35 Y CA -1.148 56.944 58.100 -0.014 0.000 1.508 35 Y CB -1.282 37.158 38.460 -0.034 0.000 1.317 35 Y HN 0.425 nan 8.280 nan 0.000 0.639 36 P HA 0.093 nan 4.420 nan 0.000 0.318 36 P C -0.559 176.808 177.300 0.112 0.000 1.309 36 P CA -0.580 62.592 63.100 0.120 0.000 0.736 36 P CB 0.334 32.097 31.700 0.105 0.000 1.440 37 T N 0.470 115.074 114.554 0.084 0.000 2.853 37 T HA 0.161 4.511 4.350 -0.000 0.000 0.298 37 T C 1.179 175.912 174.700 0.055 0.000 0.978 37 T CA 0.437 62.579 62.100 0.070 0.000 1.152 37 T CB -0.382 68.521 68.868 0.058 0.000 0.914 37 T HN 0.177 nan 8.240 nan 0.000 0.539 38 I N 2.187 122.788 120.570 0.052 0.000 3.534 38 I HA 0.356 4.526 4.170 -0.000 0.000 0.251 38 I C 1.457 177.597 176.117 0.039 0.000 1.136 38 I CA -0.167 61.155 61.300 0.036 0.000 1.475 38 I CB -0.633 37.381 38.000 0.023 0.000 1.526 38 I HN 0.581 nan 8.210 nan 0.000 0.454 39 A N 2.124 124.971 122.820 0.044 0.000 2.366 39 A HA 0.492 4.812 4.320 -0.000 0.000 0.249 39 A C -2.297 175.325 177.584 0.063 0.000 1.084 39 A CA -0.940 51.127 52.037 0.050 0.000 0.794 39 A CB -0.920 18.110 19.000 0.051 0.000 1.034 39 A HN 0.071 nan 8.150 nan 0.000 0.491 40 P HA 0.237 nan 4.420 nan 0.000 0.266 40 P C -2.510 174.842 177.300 0.087 0.000 1.215 40 P CA -0.567 62.582 63.100 0.082 0.000 0.763 40 P CB -0.139 31.610 31.700 0.081 0.000 0.806 41 P HA 0.276 nan 4.420 nan 0.000 0.276 41 P C -0.854 176.548 177.300 0.169 0.000 1.243 41 P CA 0.014 63.175 63.100 0.103 0.000 0.768 41 P CB 0.671 32.413 31.700 0.071 0.000 0.856 42 A N 3.362 126.267 122.820 0.141 0.000 2.355 42 A HA 0.649 4.969 4.320 -0.000 0.000 0.324 42 A C -0.558 177.122 177.584 0.160 0.000 1.117 42 A CA -0.670 51.464 52.037 0.161 0.000 0.785 42 A CB 1.166 20.202 19.000 0.060 0.000 1.254 42 A HN 0.328 nan 8.150 nan 0.000 0.453 43 V N 0.867 120.907 119.914 0.211 0.000 2.716 43 V HA 0.668 4.788 4.120 -0.000 0.000 0.304 43 V C 0.132 176.283 176.094 0.096 0.000 1.053 43 V CA -0.272 62.122 62.300 0.156 0.000 0.984 43 V CB 1.807 33.759 31.823 0.216 0.000 1.021 43 V HN 0.916 nan 8.190 nan 0.000 0.467 44 T N 4.638 119.237 114.554 0.075 0.000 2.890 44 T HA 0.572 4.922 4.350 -0.000 0.000 0.295 44 T C -0.312 174.417 174.700 0.050 0.000 0.993 44 T CA -0.197 61.938 62.100 0.059 0.000 0.979 44 T CB 0.790 69.696 68.868 0.064 0.000 0.967 44 T HN 0.369 nan 8.240 nan 0.000 0.441 45 I N 2.655 123.250 120.570 0.042 0.000 2.764 45 I HA 0.544 4.713 4.170 -0.000 0.000 0.294 45 I C 0.376 176.513 176.117 0.033 0.000 1.045 45 I CA -0.529 60.790 61.300 0.033 0.000 1.340 45 I CB 1.251 39.267 38.000 0.025 0.000 1.436 45 I HN 0.703 nan 8.210 nan 0.000 0.567 46 S N 2.827 118.542 115.700 0.025 0.000 2.382 46 S HA 0.680 5.150 4.470 -0.000 0.000 0.228 46 S C -0.702 173.909 174.600 0.017 0.000 0.996 46 S CA -0.873 57.342 58.200 0.026 0.000 1.094 46 S CB 0.901 64.116 63.200 0.025 0.000 1.209 46 S HN 0.827 nan 8.310 nan 0.000 0.420 47 A N 1.717 124.549 122.820 0.021 0.000 2.247 47 A HA 0.960 5.280 4.320 -0.000 0.000 0.313 47 A C 0.169 177.774 177.584 0.035 0.000 1.109 47 A CA -0.928 51.118 52.037 0.016 0.000 0.890 47 A CB 1.500 20.506 19.000 0.009 0.000 1.239 47 A HN 1.369 nan 8.150 nan 0.000 0.506 48 S N -0.979 114.746 115.700 0.042 0.000 2.689 48 S HA 0.439 4.909 4.470 -0.000 0.000 0.274 48 S C -1.823 172.864 174.600 0.144 0.000 1.176 48 S CA -0.325 57.924 58.200 0.082 0.000 1.014 48 S CB 0.518 63.755 63.200 0.060 0.000 1.071 48 S HN 0.629 nan 8.310 nan 0.000 0.478 49 Y N 6.943 127.257 120.300 0.023 0.000 2.587 49 Y HA 0.422 4.972 4.550 -0.000 0.000 0.328 49 Y C -2.378 173.551 175.900 0.047 0.000 0.980 49 Y CA -2.759 55.360 58.100 0.031 0.000 1.272 49 Y CB 1.253 39.727 38.460 0.025 0.000 1.094 49 Y HN 0.449 nan 8.280 nan 0.000 0.503 50 P HA 0.151 nan 4.420 nan 0.000 0.276 50 P C 0.627 177.958 177.300 0.052 0.000 1.243 50 P CA 1.233 64.425 63.100 0.153 0.000 0.768 50 P CB 1.450 33.276 31.700 0.211 0.000 0.856 51 G N 2.562 111.352 108.800 -0.017 0.000 2.308 51 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.221 51 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.221 51 G C 0.390 175.187 174.900 -0.172 0.000 1.032 51 G CA 0.032 45.096 45.100 -0.059 0.000 0.623 51 G HN 0.856 nan 8.290 nan 0.000 0.506 52 A N 1.130 123.732 122.820 -0.364 0.000 2.462 52 A HA 0.545 4.865 4.320 -0.000 0.000 0.243 52 A C 0.597 178.076 177.584 -0.174 0.000 1.076 52 A CA 0.973 52.753 52.037 -0.429 0.000 0.773 52 A CB -0.054 18.463 19.000 -0.805 0.000 1.010 52 A HN 1.081 nan 8.150 nan 0.000 0.493 53 D N 1.121 121.450 120.400 -0.119 0.000 2.478 53 D HA 0.518 5.158 4.640 -0.000 0.000 0.274 53 D C 1.160 177.451 176.300 -0.015 0.000 1.234 53 D CA -0.009 53.965 54.000 -0.043 0.000 1.069 53 D CB 0.656 41.439 40.800 -0.028 0.000 1.113 53 D HN 0.401 nan 8.370 nan 0.000 0.571 54 A N -0.309 122.519 122.820 0.014 0.000 1.877 54 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 54 A C 2.000 179.599 177.584 0.026 0.000 1.186 54 A CA 1.484 53.537 52.037 0.026 0.000 0.620 54 A CB -0.771 18.252 19.000 0.038 0.000 0.822 54 A HN 0.474 nan 8.150 nan 0.000 0.443 55 K N -0.404 120.014 120.400 0.029 0.000 2.148 55 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 55 K C 2.009 178.626 176.600 0.030 0.000 1.050 55 K CA 1.719 58.026 56.287 0.033 0.000 0.942 55 K CB -0.589 31.935 32.500 0.040 0.000 0.724 55 K HN 0.498 nan 8.250 nan 0.000 0.446 56 T N 0.268 114.831 114.554 0.016 0.000 2.737 56 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 56 T C 1.846 176.595 174.700 0.082 0.000 1.038 56 T CA 1.616 63.732 62.100 0.026 0.000 1.144 56 T CB -0.275 68.563 68.868 -0.049 0.000 0.866 56 T HN 0.186 nan 8.240 nan 0.000 0.434 57 V N 0.257 120.217 119.914 0.077 0.000 3.041 57 V HA 0.028 4.148 4.120 -0.000 0.000 0.260 57 V C 2.224 178.367 176.094 0.081 0.000 1.105 57 V CA 1.124 63.499 62.300 0.125 0.000 1.125 57 V CB -0.729 31.163 31.823 0.115 0.000 0.730 57 V HN 0.294 nan 8.190 nan 0.000 0.479 58 Q N 2.002 121.835 119.800 0.054 0.000 2.230 58 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 58 Q C 1.310 177.331 176.000 0.035 0.000 0.963 58 Q CA 2.195 58.020 55.803 0.036 0.000 0.866 58 Q CB 0.113 28.864 28.738 0.022 0.000 0.931 58 Q HN 1.008 nan 8.270 nan 0.000 0.452 59 D N -3.020 117.406 120.400 0.044 0.000 2.514 59 D HA 0.035 4.675 4.640 -0.000 0.000 0.225 59 D C 1.226 177.550 176.300 0.040 0.000 1.159 59 D CA 0.139 54.160 54.000 0.036 0.000 0.823 59 D CB -0.058 40.761 40.800 0.031 0.000 1.097 59 D HN -0.081 nan 8.370 nan 0.000 0.519 60 T N -0.645 113.946 114.554 0.062 0.000 3.039 60 T HA 0.101 4.450 4.350 -0.000 0.000 0.250 60 T C 1.395 176.114 174.700 0.032 0.000 1.052 60 T CA 0.891 63.026 62.100 0.060 0.000 1.125 60 T CB 0.210 69.150 68.868 0.121 0.000 0.908 60 T HN 0.042 nan 8.240 nan 0.000 0.473 61 V N 0.018 119.960 119.914 0.047 0.000 2.996 61 V HA 0.107 4.227 4.120 -0.000 0.000 0.235 61 V C 2.637 178.743 176.094 0.020 0.000 1.205 61 V CA 0.995 63.308 62.300 0.022 0.000 1.225 61 V CB -0.590 31.256 31.823 0.039 0.000 0.995 61 V HN 0.302 nan 8.190 nan 0.000 0.484 62 T N 0.124 114.697 114.554 0.031 0.000 2.614 62 T HA -0.218 4.131 4.350 -0.000 0.000 0.263 62 T C 1.927 176.634 174.700 0.011 0.000 1.055 62 T CA 1.703 63.816 62.100 0.022 0.000 1.162 62 T CB -0.310 68.574 68.868 0.026 0.000 0.863 62 T HN 0.341 nan 8.240 nan 0.000 0.414 63 Q N 0.389 120.196 119.800 0.012 0.000 2.170 63 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 63 Q C 2.633 178.633 176.000 0.000 0.000 0.976 63 Q CA 1.009 56.815 55.803 0.005 0.000 0.858 63 Q CB -0.530 28.212 28.738 0.008 0.000 0.907 63 Q HN 0.368 nan 8.270 nan 0.000 0.433 64 V N 1.058 120.973 119.914 0.001 0.000 2.332 64 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 64 V C 2.174 178.264 176.094 -0.007 0.000 1.055 64 V CA 1.613 63.911 62.300 -0.004 0.000 1.038 64 V CB -0.427 31.392 31.823 -0.007 0.000 0.651 64 V HN 0.302 nan 8.190 nan 0.000 0.450 65 I N -0.515 120.051 120.570 -0.006 0.000 2.439 65 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 65 I C 2.498 178.609 176.117 -0.011 0.000 1.139 65 I CA 1.239 62.535 61.300 -0.007 0.000 1.438 65 I CB -0.347 37.650 38.000 -0.004 0.000 1.085 65 I HN 0.345 nan 8.210 nan 0.000 0.427 66 E N 0.623 120.815 120.200 -0.013 0.000 2.150 66 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 66 E C 2.075 178.661 176.600 -0.025 0.000 0.985 66 E CA 0.908 57.294 56.400 -0.023 0.000 0.814 66 E CB -0.056 29.630 29.700 -0.024 0.000 0.752 66 E HN 0.641 nan 8.360 nan 0.000 0.466 67 Q N 0.211 120.001 119.800 -0.017 0.000 2.187 67 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 67 Q C 1.224 177.215 176.000 -0.014 0.000 0.957 67 Q CA 0.762 56.556 55.803 -0.016 0.000 0.857 67 Q CB -0.228 28.504 28.738 -0.011 0.000 0.929 67 Q HN 0.159 nan 8.270 nan 0.000 0.453 68 N N -0.311 118.382 118.700 -0.012 0.000 2.322 68 N HA 0.059 4.798 4.740 -0.000 0.000 0.194 68 N C -0.089 175.417 175.510 -0.007 0.000 1.126 68 N CA -0.095 52.950 53.050 -0.008 0.000 0.845 68 N CB 0.404 38.887 38.487 -0.007 0.000 0.976 68 N HN 0.004 nan 8.380 nan 0.000 0.475 69 M N 1.945 121.537 119.600 -0.013 0.000 3.512 69 M HA 0.172 4.652 4.480 -0.000 0.000 0.231 69 M C -0.864 175.425 176.300 -0.018 0.000 1.345 69 M CA -0.062 55.229 55.300 -0.014 0.000 1.504 69 M CB -1.172 31.412 32.600 -0.028 0.000 1.074 69 M HN 0.203 nan 8.290 nan 0.000 0.615 70 N N -1.389 117.307 118.700 -0.007 0.000 2.610 70 N HA 0.510 5.250 4.740 -0.000 0.000 0.264 70 N C 0.150 175.665 175.510 0.007 0.000 1.348 70 N CA 0.043 53.090 53.050 -0.005 0.000 0.819 70 N CB 1.338 39.819 38.487 -0.011 0.000 1.521 70 N HN 0.370 nan 8.380 nan 0.000 0.497 71 G N 0.212 109.018 108.800 0.010 0.000 2.248 71 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.263 71 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.263 71 G C -0.663 174.254 174.900 0.030 0.000 1.082 71 G CA 0.258 45.367 45.100 0.016 0.000 0.863 71 G HN 0.641 nan 8.290 nan 0.000 0.495 72 I N 0.012 120.610 120.570 0.047 0.000 2.530 72 I HA 0.308 4.478 4.170 -0.000 0.000 0.297 72 I C -0.207 175.970 176.117 0.099 0.000 1.011 72 I CA -1.109 60.242 61.300 0.084 0.000 1.107 72 I CB 1.510 39.595 38.000 0.141 0.000 1.285 72 I HN -0.045 nan 8.210 nan 0.000 0.436 73 D N 5.995 126.445 120.400 0.083 0.000 2.424 73 D HA 0.142 4.782 4.640 -0.000 0.000 0.244 73 D C 0.227 176.613 176.300 0.144 0.000 1.134 73 D CA 0.592 54.635 54.000 0.071 0.000 0.881 73 D CB 0.596 41.407 40.800 0.018 0.000 1.191 73 D HN 0.596 nan 8.370 nan 0.000 0.445 74 N N -0.362 118.419 118.700 0.134 0.000 6.750 74 N HA -0.261 4.479 4.740 -0.000 0.000 0.412 74 N C -0.716 174.937 175.510 0.239 0.000 0.937 74 N CA 0.244 53.414 53.050 0.200 0.000 1.334 74 N CB -0.262 38.371 38.487 0.244 0.000 0.815 74 N HN 0.467 nan 8.380 nan 0.000 0.330 75 L N -0.734 120.593 121.223 0.173 0.000 5.632 75 L HA -0.065 4.275 4.340 -0.000 0.000 0.253 75 L C -0.008 176.784 176.870 -0.130 0.000 1.161 75 L CA 0.301 55.045 54.840 -0.161 0.000 0.680 75 L CB -0.609 41.305 42.059 -0.241 0.000 1.385 75 L HN 0.773 nan 8.230 nan 0.000 0.256 76 M N 3.580 123.045 119.600 -0.225 0.000 2.556 76 M HA 0.280 4.760 4.480 -0.000 0.000 0.259 76 M C -0.211 176.095 176.300 0.010 0.000 1.175 76 M CA 1.496 56.755 55.300 -0.068 0.000 1.202 76 M CB 0.135 32.719 32.600 -0.027 0.000 1.298 76 M HN 0.664 nan 8.290 nan 0.000 0.492 77 Y N -1.626 118.604 120.300 -0.117 0.000 2.725 77 Y HA 0.740 5.290 4.550 -0.000 0.000 0.333 77 Y C -1.121 174.635 175.900 -0.239 0.000 1.242 77 Y CA -2.286 55.711 58.100 -0.171 0.000 1.059 77 Y CB 1.052 39.515 38.460 0.005 0.000 1.306 77 Y HN 0.044 nan 8.280 nan 0.000 0.454 78 M N 2.649 122.185 119.600 -0.106 0.000 2.446 78 M HA 0.810 5.290 4.480 -0.000 0.000 0.294 78 M C -1.616 174.656 176.300 -0.046 0.000 1.158 78 M CA -0.307 54.930 55.300 -0.105 0.000 0.899 78 M CB 2.316 34.813 32.600 -0.171 0.000 1.687 78 M HN 1.026 nan 8.290 nan 0.000 0.455 79 S N 1.975 117.735 115.700 0.101 0.000 2.704 79 S HA 0.997 5.467 4.470 -0.000 0.000 0.296 79 S C -0.924 173.729 174.600 0.088 0.000 1.138 79 S CA -0.202 58.094 58.200 0.161 0.000 0.875 79 S CB 1.827 65.184 63.200 0.262 0.000 1.151 79 S HN 1.145 nan 8.310 nan 0.000 0.500 80 S N 0.283 116.035 115.700 0.087 0.000 2.565 80 S HA 0.667 5.137 4.470 -0.000 0.000 0.269 80 S C -2.175 172.460 174.600 0.058 0.000 1.153 80 S CA -0.980 57.257 58.200 0.060 0.000 0.835 80 S CB 1.274 64.496 63.200 0.037 0.000 1.122 80 S HN 0.719 nan 8.310 nan 0.000 0.462 81 N N 1.325 120.058 118.700 0.056 0.000 2.533 81 N HA 0.409 5.149 4.740 -0.000 0.000 0.289 81 N C -1.599 173.941 175.510 0.049 0.000 1.103 81 N CA -0.486 52.596 53.050 0.054 0.000 0.877 81 N CB 2.092 40.622 38.487 0.072 0.000 1.419 81 N HN 0.739 nan 8.380 nan 0.000 0.517 82 S N 0.811 116.533 115.700 0.037 0.000 2.532 82 S HA 0.371 4.841 4.470 -0.000 0.000 0.318 82 S C -0.241 174.382 174.600 0.039 0.000 1.083 82 S CA -0.961 57.262 58.200 0.039 0.000 1.131 82 S CB 1.387 64.605 63.200 0.030 0.000 0.973 82 S HN 0.294 nan 8.310 nan 0.000 0.468 83 D N 1.908 122.337 120.400 0.049 0.000 2.383 83 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 83 D C 1.152 177.479 176.300 0.044 0.000 1.170 83 D CA -0.173 53.858 54.000 0.052 0.000 0.977 83 D CB 1.252 42.089 40.800 0.062 0.000 1.120 83 D HN 0.587 nan 8.370 nan 0.000 0.481 84 S N -0.856 114.873 115.700 0.047 0.000 2.461 84 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 84 S C 1.611 176.230 174.600 0.031 0.000 1.005 84 S CA 0.670 58.894 58.200 0.039 0.000 0.942 84 S CB -0.153 63.078 63.200 0.052 0.000 0.776 84 S HN 0.422 nan 8.310 nan 0.000 0.514 85 T N 1.451 116.029 114.554 0.040 0.000 2.915 85 T HA 0.308 4.658 4.350 -0.000 0.000 0.269 85 T C 1.196 175.913 174.700 0.028 0.000 1.071 85 T CA 0.996 63.118 62.100 0.037 0.000 1.132 85 T CB -0.721 68.173 68.868 0.044 0.000 0.878 85 T HN 1.059 nan 8.240 nan 0.000 0.479 86 G N 2.104 110.923 108.800 0.032 0.000 2.754 86 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.215 86 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.215 86 G C -0.107 174.836 174.900 0.072 0.000 1.121 86 G CA -0.395 44.731 45.100 0.042 0.000 0.954 86 G HN 0.648 nan 8.290 nan 0.000 0.511 87 T N -2.361 112.233 114.554 0.066 0.000 3.355 87 T HA 0.574 4.924 4.350 -0.000 0.000 0.324 87 T C -0.303 174.434 174.700 0.061 0.000 0.932 87 T CA -0.197 61.940 62.100 0.062 0.000 1.032 87 T CB 1.796 70.691 68.868 0.045 0.000 1.027 87 T HN 1.365 nan 8.240 nan 0.000 0.456 88 V N 2.677 122.628 119.914 0.062 0.000 2.743 88 V HA 0.778 4.898 4.120 -0.000 0.000 0.301 88 V C -0.589 175.535 176.094 0.049 0.000 1.057 88 V CA -0.253 62.080 62.300 0.055 0.000 1.006 88 V CB 1.644 33.499 31.823 0.052 0.000 1.024 88 V HN 1.074 nan 8.190 nan 0.000 0.473 89 Q N 5.450 125.281 119.800 0.051 0.000 2.296 89 Q HA 0.428 4.768 4.340 -0.000 0.000 0.254 89 Q C -1.898 174.133 176.000 0.052 0.000 0.936 89 Q CA -0.719 55.115 55.803 0.052 0.000 0.834 89 Q CB 1.566 30.343 28.738 0.065 0.000 1.340 89 Q HN 0.655 nan 8.270 nan 0.000 0.428 90 I N 2.040 122.635 120.570 0.041 0.000 2.783 90 I HA 0.564 4.734 4.170 -0.000 0.000 0.312 90 I C -0.025 176.114 176.117 0.038 0.000 0.988 90 I CA -0.733 60.587 61.300 0.034 0.000 1.182 90 I CB 1.651 39.659 38.000 0.014 0.000 1.368 90 I HN 0.704 nan 8.210 nan 0.000 0.511 91 T N 4.781 119.352 114.554 0.029 0.000 3.187 91 T HA 0.418 4.768 4.350 -0.000 0.000 0.328 91 T C -0.413 174.251 174.700 -0.060 0.000 0.951 91 T CA -0.323 61.789 62.100 0.020 0.000 1.049 91 T CB 0.657 69.568 68.868 0.071 0.000 1.015 91 T HN 0.179 nan 8.240 nan 0.000 0.461 92 L N 3.558 124.698 121.223 -0.139 0.000 2.302 92 L HA 0.340 4.680 4.340 -0.000 0.000 0.285 92 L C 0.751 177.277 176.870 -0.573 0.000 1.090 92 L CA -0.114 54.493 54.840 -0.388 0.000 0.866 92 L CB 0.255 42.065 42.059 -0.414 0.000 1.244 92 L HN 0.525 nan 8.230 nan 0.000 0.435 93 T N 3.366 117.541 114.554 -0.632 0.000 2.737 93 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 93 T C 0.230 174.560 174.700 -0.618 0.000 0.922 93 T CA -0.082 61.688 62.100 -0.550 0.000 1.079 93 T CB 0.050 68.516 68.868 -0.669 0.000 0.892 93 T HN 0.039 nan 8.240 nan 0.000 0.514 94 F N 1.098 120.948 119.950 -0.168 0.000 2.321 94 F HA 0.392 4.919 4.527 -0.000 0.000 0.318 94 F C 1.298 177.058 175.800 -0.066 0.000 1.129 94 F CA -1.196 56.740 58.000 -0.107 0.000 1.074 94 F CB 0.511 39.475 39.000 -0.059 0.000 1.432 94 F HN 0.330 nan 8.300 nan 0.000 0.502 95 E N -0.211 120.110 120.200 0.202 0.000 2.392 95 E HA 0.058 4.408 4.350 -0.000 0.000 0.256 95 E C -0.400 176.269 176.600 0.115 0.000 1.145 95 E CA -0.211 56.263 56.400 0.123 0.000 0.929 95 E CB 0.623 30.388 29.700 0.108 0.000 0.998 95 E HN 0.342 nan 8.360 nan 0.000 0.442 96 S N -0.366 115.395 115.700 0.102 0.000 2.549 96 S HA 0.378 4.848 4.470 -0.000 0.000 0.279 96 S C 0.971 175.631 174.600 0.100 0.000 1.321 96 S CA 0.642 58.902 58.200 0.100 0.000 1.054 96 S CB -0.026 63.239 63.200 0.108 0.000 0.899 96 S HN 0.687 nan 8.310 nan 0.000 0.497 97 G N 3.401 112.252 108.800 0.085 0.000 2.143 97 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.249 97 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.249 97 G C 0.199 175.129 174.900 0.050 0.000 0.981 97 G CA 0.339 45.483 45.100 0.074 0.000 0.665 97 G HN 0.851 nan 8.290 nan 0.000 0.528 98 T N 0.506 115.085 114.554 0.041 0.000 2.904 98 T HA 0.424 4.774 4.350 -0.000 0.000 0.290 98 T C 0.127 174.806 174.700 -0.035 0.000 1.018 98 T CA 0.024 62.123 62.100 -0.001 0.000 1.075 98 T CB 1.304 70.168 68.868 -0.006 0.000 0.986 98 T HN 0.224 nan 8.240 nan 0.000 0.523 99 D N 0.875 121.234 120.400 -0.069 0.000 2.371 99 D HA 0.387 5.027 4.640 -0.000 0.000 0.256 99 D C 0.837 177.065 176.300 -0.120 0.000 1.193 99 D CA -0.033 53.923 54.000 -0.074 0.000 0.881 99 D CB 0.699 41.458 40.800 -0.069 0.000 1.143 99 D HN 0.566 nan 8.370 nan 0.000 0.473 100 A N 3.517 126.291 122.820 -0.077 0.000 2.067 100 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 100 A C 1.725 179.261 177.584 -0.080 0.000 1.156 100 A CA 0.849 52.839 52.037 -0.078 0.000 0.683 100 A CB -0.038 18.950 19.000 -0.020 0.000 0.808 100 A HN 0.623 nan 8.150 nan 0.000 0.455 101 D N -0.288 120.072 120.400 -0.066 0.000 2.077 101 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 101 D C 1.689 177.943 176.300 -0.077 0.000 0.986 101 D CA 1.435 55.403 54.000 -0.054 0.000 0.829 101 D CB -0.120 40.657 40.800 -0.038 0.000 0.983 101 D HN 0.409 nan 8.370 nan 0.000 0.453 102 I N 1.156 121.666 120.570 -0.101 0.000 2.546 102 I HA -0.116 4.054 4.170 -0.000 0.000 0.255 102 I C 2.144 178.155 176.117 -0.178 0.000 1.163 102 I CA 0.586 61.818 61.300 -0.114 0.000 1.457 102 I CB -0.116 37.822 38.000 -0.104 0.000 1.092 102 I HN -0.134 nan 8.210 nan 0.000 0.434 103 A N -0.656 121.993 122.820 -0.286 0.000 1.969 103 A HA -0.238 4.081 4.320 -0.000 0.000 0.218 103 A C 2.324 179.771 177.584 -0.229 0.000 1.169 103 A CA 1.621 53.352 52.037 -0.510 0.000 0.635 103 A CB -0.647 17.819 19.000 -0.891 0.000 0.810 103 A HN 0.584 nan 8.150 nan 0.000 0.445 104 Q N -0.247 119.485 119.800 -0.115 0.000 2.172 104 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 104 Q C 1.837 177.827 176.000 -0.017 0.000 0.964 104 Q CA 1.474 57.261 55.803 -0.027 0.000 0.855 104 Q CB -0.096 28.633 28.738 -0.016 0.000 0.918 104 Q HN 0.452 nan 8.270 nan 0.000 0.444 105 V N 0.923 120.814 119.914 -0.039 0.000 2.307 105 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 105 V C 2.112 178.200 176.094 -0.011 0.000 1.045 105 V CA 1.919 64.205 62.300 -0.024 0.000 1.024 105 V CB -0.517 31.287 31.823 -0.032 0.000 0.651 105 V HN 0.407 nan 8.190 nan 0.000 0.449 106 Q N -0.600 119.191 119.800 -0.016 0.000 2.172 106 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 106 Q C 2.328 178.354 176.000 0.043 0.000 0.964 106 Q CA 1.256 57.064 55.803 0.010 0.000 0.855 106 Q CB -0.162 28.581 28.738 0.007 0.000 0.918 106 Q HN 0.519 nan 8.270 nan 0.000 0.444 107 V N 1.546 121.501 119.914 0.068 0.000 2.453 107 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 107 V C 2.151 178.271 176.094 0.045 0.000 1.048 107 V CA 2.101 64.452 62.300 0.086 0.000 1.049 107 V CB -0.366 31.539 31.823 0.136 0.000 0.672 107 V HN 0.496 nan 8.190 nan 0.000 0.457 108 Q N 0.419 120.238 119.800 0.030 0.000 2.360 108 Q HA 0.284 4.624 4.340 -0.000 0.000 0.202 108 Q C 0.930 176.935 176.000 0.008 0.000 0.915 108 Q CA 0.856 56.669 55.803 0.016 0.000 0.943 108 Q CB 0.129 28.874 28.738 0.012 0.000 1.064 108 Q HN 0.460 nan 8.270 nan 0.000 0.511 109 A N 0.233 123.059 122.820 0.010 0.000 3.041 109 A HA 0.423 4.743 4.320 -0.000 0.000 0.307 109 A C 0.230 177.819 177.584 0.007 0.000 1.116 109 A CA -0.520 51.520 52.037 0.005 0.000 1.001 109 A CB 0.305 19.305 19.000 0.002 0.000 1.112 109 A HN 0.104 nan 8.150 nan 0.000 0.556 110 K N -1.352 119.052 120.400 0.008 0.000 2.907 110 K HA 0.130 4.449 4.320 -0.000 0.000 0.175 110 K C 1.342 177.944 176.600 0.003 0.000 1.860 110 K CA 0.300 56.591 56.287 0.008 0.000 1.404 110 K CB -0.778 31.731 32.500 0.016 0.000 2.100 110 K HN 0.370 nan 8.250 nan 0.000 0.616 111 L N 2.341 123.567 121.223 0.005 0.000 2.043 111 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 111 L C 2.350 179.216 176.870 -0.006 0.000 1.075 111 L CA 1.851 56.691 54.840 -0.000 0.000 0.752 111 L CB -0.039 42.022 42.059 0.003 0.000 0.891 111 L HN 0.308 nan 8.230 nan 0.000 0.432 112 Q N 0.001 119.798 119.800 -0.005 0.000 2.226 112 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 112 Q C 2.167 178.160 176.000 -0.011 0.000 0.975 112 Q CA 1.410 57.207 55.803 -0.010 0.000 0.866 112 Q CB -0.071 28.662 28.738 -0.008 0.000 0.915 112 Q HN 0.658 nan 8.270 nan 0.000 0.440 113 L N -0.436 120.782 121.223 -0.008 0.000 2.109 113 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 113 L C 2.061 178.924 176.870 -0.011 0.000 1.086 113 L CA 1.043 55.878 54.840 -0.009 0.000 0.760 113 L CB -0.384 41.672 42.059 -0.006 0.000 0.910 113 L HN 0.074 nan 8.230 nan 0.000 0.437 114 A N -1.336 121.477 122.820 -0.012 0.000 2.379 114 A HA 0.137 4.457 4.320 -0.000 0.000 0.236 114 A C 2.125 179.697 177.584 -0.021 0.000 1.272 114 A CA -0.102 51.926 52.037 -0.015 0.000 0.886 114 A CB -0.141 18.851 19.000 -0.012 0.000 0.962 114 A HN 0.199 nan 8.150 nan 0.000 0.504 115 M N 0.124 119.710 119.600 -0.023 0.000 2.132 115 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 115 M C -0.786 175.491 176.300 -0.038 0.000 1.065 115 M CA 1.651 56.932 55.300 -0.032 0.000 1.122 115 M CB -1.329 31.253 32.600 -0.030 0.000 1.365 115 M HN 0.154 nan 8.290 nan 0.000 0.411 116 P HA -0.062 nan 4.420 nan 0.000 0.222 116 P C 0.983 178.263 177.300 -0.032 0.000 1.147 116 P CA 0.969 64.050 63.100 -0.031 0.000 0.790 116 P CB -0.181 31.505 31.700 -0.023 0.000 0.780 117 L N -1.761 119.444 121.223 -0.030 0.000 2.645 117 L HA 0.167 4.506 4.340 -0.000 0.000 0.234 117 L C 0.744 177.592 176.870 -0.037 0.000 1.165 117 L CA 0.081 54.904 54.840 -0.028 0.000 0.944 117 L CB -0.623 41.425 42.059 -0.019 0.000 1.149 117 L HN 0.004 nan 8.230 nan 0.000 0.446 118 L N -0.299 120.891 121.223 -0.054 0.000 2.332 118 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 118 L C -2.082 174.720 176.870 -0.113 0.000 1.016 118 L CA -2.103 52.687 54.840 -0.083 0.000 0.809 118 L CB 0.737 42.738 42.059 -0.096 0.000 1.280 118 L HN -0.168 nan 8.230 nan 0.000 0.447 119 P HA -0.003 nan 4.420 nan 0.000 0.268 119 P C -0.237 176.939 177.300 -0.207 0.000 1.208 119 P CA -0.262 62.704 63.100 -0.223 0.000 0.777 119 P CB 0.380 31.798 31.700 -0.471 0.000 0.875 120 Q N 0.503 120.221 119.800 -0.137 0.000 2.369 120 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 120 Q C 0.982 176.910 176.000 -0.120 0.000 0.963 120 Q CA 1.338 57.079 55.803 -0.102 0.000 0.894 120 Q CB -0.336 28.371 28.738 -0.051 0.000 0.965 120 Q HN 0.347 nan 8.270 nan 0.000 0.475 121 E N 0.894 120.997 120.200 -0.161 0.000 2.072 121 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 121 E C 1.926 178.412 176.600 -0.190 0.000 0.985 121 E CA 1.092 57.418 56.400 -0.124 0.000 0.801 121 E CB -0.125 29.559 29.700 -0.027 0.000 0.750 121 E HN 0.169 nan 8.360 nan 0.000 0.452 122 V N 0.463 120.183 119.914 -0.322 0.000 2.667 122 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 122 V C 1.988 177.984 176.094 -0.163 0.000 1.065 122 V CA 1.512 63.671 62.300 -0.237 0.000 1.083 122 V CB -0.158 31.492 31.823 -0.289 0.000 0.692 122 V HN 0.270 nan 8.190 nan 0.000 0.468 123 Q N -0.231 119.472 119.800 -0.160 0.000 2.020 123 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 123 Q C 2.295 178.208 176.000 -0.144 0.000 0.982 123 Q CA 2.137 57.865 55.803 -0.125 0.000 0.838 123 Q CB -0.134 28.542 28.738 -0.103 0.000 0.899 123 Q HN 0.852 nan 8.270 nan 0.000 0.423 124 Q N -0.140 119.544 119.800 -0.193 0.000 2.369 124 Q HA -0.067 4.273 4.340 -0.000 0.000 0.206 124 Q C 0.594 176.350 176.000 -0.407 0.000 0.963 124 Q CA 0.335 55.956 55.803 -0.303 0.000 0.894 124 Q CB 0.117 28.625 28.738 -0.384 0.000 0.965 124 Q HN 0.122 nan 8.270 nan 0.000 0.475 125 Q N 1.054 120.685 119.800 -0.282 0.000 2.414 125 Q HA 0.376 4.715 4.340 -0.000 0.000 0.206 125 Q C -0.250 175.682 176.000 -0.114 0.000 1.058 125 Q CA 0.460 56.150 55.803 -0.188 0.000 1.025 125 Q CB 0.849 29.540 28.738 -0.079 0.000 1.196 125 Q HN 0.375 nan 8.270 nan 0.000 0.586 126 G N 0.506 109.272 108.800 -0.057 0.000 2.639 126 G HA2 0.418 4.378 3.960 -0.000 0.000 0.312 126 G HA3 0.418 4.378 3.960 -0.000 0.000 0.312 126 G C -0.598 174.287 174.900 -0.024 0.000 0.911 126 G CA -0.368 44.711 45.100 -0.035 0.000 1.410 126 G HN 0.419 nan 8.290 nan 0.000 0.469 127 V N 0.726 120.621 119.914 -0.031 0.000 2.614 127 V HA 0.743 4.863 4.120 -0.000 0.000 0.291 127 V C 0.310 176.397 176.094 -0.011 0.000 1.049 127 V CA -0.717 61.571 62.300 -0.020 0.000 1.038 127 V CB 1.242 33.050 31.823 -0.026 0.000 0.980 127 V HN 0.417 nan 8.190 nan 0.000 0.481 128 S N 2.506 118.205 115.700 -0.001 0.000 2.603 128 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 128 S C -0.730 173.878 174.600 0.013 0.000 1.168 128 S CA -0.549 57.653 58.200 0.004 0.000 0.963 128 S CB 1.931 65.133 63.200 0.004 0.000 1.078 128 S HN 0.717 nan 8.310 nan 0.000 0.477 129 V N 3.838 123.761 119.914 0.015 0.000 2.284 129 V HA 0.439 4.559 4.120 -0.000 0.000 0.274 129 V C -0.147 175.963 176.094 0.027 0.000 1.023 129 V CA -0.453 61.861 62.300 0.025 0.000 0.808 129 V CB 0.751 32.589 31.823 0.025 0.000 1.035 129 V HN 0.815 nan 8.190 nan 0.000 0.445 130 E N 2.602 122.822 120.200 0.033 0.000 2.334 130 E HA 0.620 4.970 4.350 -0.000 0.000 0.256 130 E C -0.837 175.789 176.600 0.044 0.000 0.958 130 E CA -1.108 55.313 56.400 0.034 0.000 0.821 130 E CB 1.859 31.579 29.700 0.033 0.000 1.269 130 E HN 0.428 nan 8.360 nan 0.000 0.413 131 K N 0.599 121.025 120.400 0.043 0.000 2.211 131 K HA 0.392 4.712 4.320 -0.000 0.000 0.275 131 K C -0.777 175.855 176.600 0.054 0.000 1.024 131 K CA -0.277 56.039 56.287 0.049 0.000 0.887 131 K CB 1.612 34.137 32.500 0.041 0.000 1.084 131 K HN 0.201 nan 8.250 nan 0.000 0.463 132 S N 1.392 117.128 115.700 0.060 0.000 2.549 132 S HA 0.547 5.017 4.470 -0.000 0.000 0.297 132 S C -0.846 173.787 174.600 0.055 0.000 1.115 132 S CA -0.559 57.676 58.200 0.059 0.000 1.059 132 S CB 0.919 64.158 63.200 0.066 0.000 1.046 132 S HN 0.438 nan 8.310 nan 0.000 0.506 133 S N 2.374 118.100 115.700 0.044 0.000 2.479 133 S HA 0.143 4.613 4.470 -0.000 0.000 0.169 133 S C -0.619 173.987 174.600 0.010 0.000 1.181 133 S CA -0.715 57.507 58.200 0.037 0.000 1.169 133 S CB 0.686 63.915 63.200 0.048 0.000 1.384 133 S HN 0.925 nan 8.310 nan 0.000 0.412 134 S N 2.003 117.707 115.700 0.008 0.000 2.945 134 S HA 0.327 4.797 4.470 -0.000 0.000 0.344 134 S C 0.188 174.730 174.600 -0.095 0.000 1.066 134 S CA 0.219 58.407 58.200 -0.020 0.000 1.721 134 S CB -0.477 62.686 63.200 -0.061 0.000 1.330 134 S HN 1.001 nan 8.310 nan 0.000 0.623 135 S N 2.494 118.142 115.700 -0.086 0.000 2.862 135 S HA 0.311 4.781 4.470 -0.000 0.000 0.291 135 S C -0.826 173.703 174.600 -0.117 0.000 0.772 135 S CA -0.996 57.174 58.200 -0.049 0.000 0.762 135 S CB -0.589 62.633 63.200 0.037 0.000 0.963 135 S HN 0.511 nan 8.310 nan 0.000 0.537 136 F N 4.007 124.067 119.950 0.184 0.000 2.368 136 F HA 0.657 5.183 4.527 -0.000 0.000 0.315 136 F C 1.445 177.370 175.800 0.208 0.000 1.145 136 F CA -0.233 57.831 58.000 0.106 0.000 1.095 136 F CB 0.800 39.734 39.000 -0.110 0.000 1.286 136 F HN 0.657 nan 8.300 nan 0.000 0.530 137 L N -1.417 120.051 121.223 0.407 0.000 2.932 137 L HA 0.422 4.762 4.340 -0.000 0.000 0.168 137 L C 0.128 177.180 176.870 0.304 0.000 1.125 137 L CA -0.503 54.536 54.840 0.332 0.000 0.868 137 L CB -0.013 42.180 42.059 0.223 0.000 1.496 137 L HN 0.300 nan 8.230 nan 0.000 0.519 138 M N 2.973 122.714 119.600 0.236 0.000 2.069 138 M HA 0.396 4.876 4.480 -0.000 0.000 0.349 138 M C -1.297 175.094 176.300 0.152 0.000 1.194 138 M CA -0.294 55.122 55.300 0.194 0.000 1.081 138 M CB 1.630 34.329 32.600 0.166 0.000 1.500 138 M HN 0.041 nan 8.290 nan 0.000 0.438 139 V N 5.326 125.304 119.914 0.106 0.000 2.328 139 V HA 0.296 4.415 4.120 -0.000 0.000 0.278 139 V C -0.043 175.964 176.094 -0.145 0.000 1.021 139 V CA -0.679 61.594 62.300 -0.044 0.000 0.838 139 V CB 1.555 33.289 31.823 -0.149 0.000 0.999 139 V HN 0.529 nan 8.190 nan 0.000 0.447 140 V N 4.761 124.573 119.914 -0.169 0.000 2.277 140 V HA 0.511 4.631 4.120 -0.000 0.000 0.269 140 V C 1.047 176.932 176.094 -0.349 0.000 1.036 140 V CA -0.437 61.692 62.300 -0.285 0.000 0.821 140 V CB 0.915 32.635 31.823 -0.172 0.000 1.052 140 V HN 0.889 nan 8.190 nan 0.000 0.462 141 G N 3.251 111.742 108.800 -0.515 0.000 2.544 141 G HA2 0.452 4.412 3.960 -0.000 0.000 0.242 141 G HA3 0.452 4.412 3.960 -0.000 0.000 0.242 141 G C -0.582 174.139 174.900 -0.299 0.000 1.247 141 G CA -0.137 44.704 45.100 -0.430 0.000 0.840 141 G HN 0.603 nan 8.290 nan 0.000 0.578 142 V N 3.002 122.823 119.914 -0.155 0.000 2.532 142 V HA 0.404 4.524 4.120 -0.000 0.000 0.294 142 V C 0.211 176.252 176.094 -0.090 0.000 1.036 142 V CA -0.521 61.705 62.300 -0.123 0.000 0.876 142 V CB 0.699 32.472 31.823 -0.083 0.000 1.012 142 V HN 0.833 nan 8.190 nan 0.000 0.432 143 I N 1.112 121.624 120.570 -0.097 0.000 3.436 143 I HA 0.773 4.943 4.170 -0.000 0.000 0.300 143 I C -0.643 175.462 176.117 -0.021 0.000 1.131 143 I CA -0.744 60.532 61.300 -0.040 0.000 1.001 143 I CB 2.346 40.339 38.000 -0.012 0.000 1.305 143 I HN 0.489 nan 8.210 nan 0.000 0.494 144 N N -0.248 118.455 118.700 0.004 0.000 2.242 144 N HA 0.448 5.188 4.740 -0.000 0.000 0.292 144 N C -0.505 175.019 175.510 0.024 0.000 1.125 144 N CA 0.081 53.133 53.050 0.004 0.000 0.783 144 N CB 2.528 41.007 38.487 -0.013 0.000 1.558 144 N HN 0.946 nan 8.380 nan 0.000 0.472 145 T N -0.949 113.620 114.554 0.025 0.000 3.280 145 T HA 0.098 4.448 4.350 -0.000 0.000 0.256 145 T C 1.005 175.718 174.700 0.021 0.000 0.995 145 T CA 0.239 62.357 62.100 0.030 0.000 1.144 145 T CB 0.022 68.914 68.868 0.040 0.000 1.140 145 T HN 0.388 nan 8.240 nan 0.000 0.423 146 D N 2.282 122.693 120.400 0.018 0.000 2.129 146 D HA 0.204 4.843 4.640 -0.000 0.000 0.220 146 D C 1.427 177.731 176.300 0.007 0.000 0.988 146 D CA 1.083 55.092 54.000 0.014 0.000 0.904 146 D CB -0.624 40.185 40.800 0.016 0.000 1.018 146 D HN 0.483 nan 8.370 nan 0.000 0.444 147 G N 0.617 109.418 108.800 0.002 0.000 2.716 147 G HA2 0.274 4.233 3.960 -0.000 0.000 0.296 147 G HA3 0.274 4.233 3.960 -0.000 0.000 0.296 147 G C -0.234 174.660 174.900 -0.009 0.000 0.811 147 G CA -0.210 44.888 45.100 -0.005 0.000 1.758 147 G HN 0.184 nan 8.290 nan 0.000 0.512 148 T N 4.364 118.917 114.554 -0.003 0.000 2.916 148 T HA 0.397 4.746 4.350 -0.000 0.000 0.303 148 T C 0.739 175.437 174.700 -0.004 0.000 1.025 148 T CA 0.222 62.321 62.100 -0.002 0.000 1.142 148 T CB 0.759 69.629 68.868 0.004 0.000 0.947 148 T HN 0.646 nan 8.240 nan 0.000 0.544 149 M N 0.756 120.352 119.600 -0.007 0.000 2.744 149 M HA 0.638 5.118 4.480 -0.000 0.000 0.283 149 M C 0.049 176.351 176.300 0.003 0.000 1.275 149 M CA -1.108 54.191 55.300 -0.001 0.000 0.796 149 M CB 1.555 34.145 32.600 -0.016 0.000 1.739 149 M HN 0.574 nan 8.290 nan 0.000 0.454 150 T N -0.923 113.640 114.554 0.015 0.000 2.814 150 T HA 0.359 4.709 4.350 -0.000 0.000 0.284 150 T C 0.155 174.857 174.700 0.003 0.000 0.998 150 T CA -0.582 61.529 62.100 0.019 0.000 0.935 150 T CB 0.482 69.379 68.868 0.047 0.000 1.167 150 T HN 0.795 nan 8.240 nan 0.000 0.545 151 Q N 0.312 120.115 119.800 0.005 0.000 3.150 151 Q HA 0.520 4.859 4.340 -0.000 0.000 0.297 151 Q C -0.299 175.694 176.000 -0.013 0.000 1.382 151 Q CA -0.410 55.385 55.803 -0.013 0.000 1.059 151 Q CB 0.426 29.152 28.738 -0.018 0.000 1.559 151 Q HN 0.816 nan 8.270 nan 0.000 0.548 152 E N 0.222 120.401 120.200 -0.035 0.000 1.790 152 E HA -0.077 4.273 4.350 -0.000 0.000 0.239 152 E C 0.597 177.065 176.600 -0.221 0.000 1.072 152 E CA 0.308 56.672 56.400 -0.061 0.000 1.530 152 E CB -0.341 29.414 29.700 0.091 0.000 4.031 152 E HN 0.355 nan 8.360 nan 0.000 0.911 153 D N 0.627 120.964 120.400 -0.104 0.000 2.144 153 D HA -0.046 4.593 4.640 -0.000 0.000 0.199 153 D C 1.867 178.057 176.300 -0.184 0.000 0.984 153 D CA 1.249 55.158 54.000 -0.151 0.000 0.834 153 D CB 0.172 40.980 40.800 0.013 0.000 0.955 153 D HN 0.286 nan 8.370 nan 0.000 0.465 154 I N 1.041 121.540 120.570 -0.119 0.000 2.233 154 I HA -0.229 3.940 4.170 -0.000 0.000 0.243 154 I C 2.538 178.601 176.117 -0.089 0.000 1.093 154 I CA 0.922 62.172 61.300 -0.083 0.000 1.380 154 I CB -0.219 37.745 38.000 -0.059 0.000 1.067 154 I HN -0.040 nan 8.210 nan 0.000 0.413 155 S N 0.070 115.696 115.700 -0.124 0.000 2.442 155 S HA -0.234 4.236 4.470 -0.000 0.000 0.236 155 S C 1.575 176.073 174.600 -0.171 0.000 1.007 155 S CA 1.492 59.621 58.200 -0.119 0.000 0.965 155 S CB -0.503 62.631 63.200 -0.110 0.000 0.773 155 S HN 0.538 nan 8.310 nan 0.000 0.504 156 D N 0.520 120.741 120.400 -0.298 0.000 2.103 156 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 156 D C 1.785 178.017 176.300 -0.114 0.000 0.978 156 D CA 0.850 54.660 54.000 -0.316 0.000 0.829 156 D CB -0.516 39.820 40.800 -0.774 0.000 0.981 156 D HN 0.404 nan 8.370 nan 0.000 0.464 157 Y N 0.342 120.515 120.300 -0.210 0.000 2.352 157 Y HA -0.031 4.519 4.550 -0.000 0.000 0.292 157 Y C 1.998 177.818 175.900 -0.133 0.000 1.136 157 Y CA 0.833 58.842 58.100 -0.152 0.000 1.227 157 Y CB -0.146 38.206 38.460 -0.180 0.000 0.991 157 Y HN -0.057 nan 8.280 nan 0.000 0.545 158 V N -0.353 119.475 119.914 -0.143 0.000 2.453 158 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 158 V C 2.072 178.077 176.094 -0.148 0.000 1.048 158 V CA 1.604 63.804 62.300 -0.165 0.000 1.049 158 V CB -1.070 30.705 31.823 -0.080 0.000 0.672 158 V HN 0.462 nan 8.190 nan 0.000 0.457 159 A N -0.942 121.805 122.820 -0.121 0.000 2.462 159 A HA 0.702 5.022 4.320 -0.000 0.000 0.261 159 A C 1.070 178.602 177.584 -0.087 0.000 1.323 159 A CA 0.664 52.646 52.037 -0.092 0.000 0.913 159 A CB -0.125 18.832 19.000 -0.072 0.000 1.028 159 A HN 0.570 nan 8.150 nan 0.000 0.511 160 A N -0.570 122.174 122.820 -0.127 0.000 2.709 160 A HA 0.527 4.847 4.320 -0.000 0.000 0.241 160 A C 0.204 177.690 177.584 -0.163 0.000 0.879 160 A CA 0.394 52.371 52.037 -0.100 0.000 1.120 160 A CB -0.158 18.821 19.000 -0.035 0.000 1.226 160 A HN 0.381 nan 8.150 nan 0.000 0.468 161 N N -1.014 117.559 118.700 -0.213 0.000 2.439 161 N HA -0.028 4.712 4.740 -0.000 0.000 0.318 161 N C 1.035 176.453 175.510 -0.153 0.000 0.676 161 N CA 1.166 54.071 53.050 -0.242 0.000 0.624 161 N CB -0.139 38.014 38.487 -0.557 0.000 2.376 161 N HN 0.227 nan 8.380 nan 0.000 1.245 162 M N -0.762 118.743 119.600 -0.159 0.000 2.338 162 M HA 0.400 4.880 4.480 -0.000 0.000 0.276 162 M C 1.608 177.882 176.300 -0.044 0.000 1.057 162 M CA 0.056 55.316 55.300 -0.067 0.000 1.079 162 M CB 0.630 33.211 32.600 -0.032 0.000 1.547 162 M HN 0.012 nan 8.290 nan 0.000 0.549 163 K N 1.573 121.935 120.400 -0.063 0.000 2.076 163 K HA -0.077 4.242 4.320 -0.000 0.000 0.204 163 K C 1.057 177.640 176.600 -0.027 0.000 1.051 163 K CA 1.776 58.039 56.287 -0.040 0.000 0.949 163 K CB 0.167 32.637 32.500 -0.050 0.000 0.726 163 K HN 0.073 nan 8.250 nan 0.000 0.443 164 D N 0.271 120.651 120.400 -0.035 0.000 2.178 164 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 164 D C 1.537 177.829 176.300 -0.015 0.000 0.980 164 D CA 1.203 55.189 54.000 -0.024 0.000 0.842 164 D CB 0.082 40.864 40.800 -0.030 0.000 0.948 164 D HN 0.393 nan 8.370 nan 0.000 0.472 165 A N -0.287 122.524 122.820 -0.014 0.000 2.021 165 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 165 A C 1.849 179.439 177.584 0.010 0.000 1.163 165 A CA 0.457 52.492 52.037 -0.002 0.000 0.676 165 A CB -0.121 18.878 19.000 -0.001 0.000 0.818 165 A HN 0.076 nan 8.150 nan 0.000 0.453 166 I N 0.761 121.338 120.570 0.012 0.000 2.277 166 I HA -0.141 4.029 4.170 -0.000 0.000 0.243 166 I C 2.824 178.957 176.117 0.028 0.000 1.094 166 I CA 1.715 63.031 61.300 0.026 0.000 1.393 166 I CB -0.911 37.107 38.000 0.030 0.000 1.078 166 I HN 0.449 nan 8.210 nan 0.000 0.417 167 S N 0.485 116.197 115.700 0.020 0.000 2.399 167 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 167 S C 2.230 176.843 174.600 0.020 0.000 1.022 167 S CA 1.082 59.296 58.200 0.023 0.000 0.983 167 S CB -0.568 62.640 63.200 0.014 0.000 0.803 167 S HN 0.418 nan 8.310 nan 0.000 0.480 168 R N 0.873 121.382 120.500 0.014 0.000 2.090 168 R HA 0.074 4.414 4.340 -0.000 0.000 0.228 168 R C 0.793 177.103 176.300 0.017 0.000 1.110 168 R CA 1.020 57.127 56.100 0.012 0.000 0.973 168 R CB -0.528 29.776 30.300 0.006 0.000 0.869 168 R HN 0.389 nan 8.270 nan 0.000 0.440 169 T N 0.584 115.151 114.554 0.021 0.000 2.898 169 T HA -0.019 4.331 4.350 -0.000 0.000 0.301 169 T C -0.094 174.623 174.700 0.029 0.000 1.049 169 T CA 0.642 62.756 62.100 0.024 0.000 1.095 169 T CB 0.751 69.636 68.868 0.028 0.000 0.976 169 T HN 0.559 nan 8.240 nan 0.000 0.539 170 S N 2.205 117.921 115.700 0.027 0.000 3.230 170 S HA -0.164 4.306 4.470 -0.000 0.000 0.309 170 S C 0.903 175.523 174.600 0.033 0.000 0.859 170 S CA 0.564 58.781 58.200 0.029 0.000 1.323 170 S CB -2.313 60.907 63.200 0.033 0.000 0.875 170 S HN 2.079 nan 8.310 nan 0.000 0.469 171 G N 0.141 108.958 108.800 0.029 0.000 2.306 171 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.274 171 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.274 171 G C 0.050 174.973 174.900 0.040 0.000 0.890 171 G CA -0.073 45.045 45.100 0.030 0.000 1.298 171 G HN 1.548 nan 8.290 nan 0.000 0.445 172 V N 1.199 121.138 119.914 0.042 0.000 2.583 172 V HA 0.542 4.662 4.120 -0.000 0.000 0.287 172 V C 1.892 178.015 176.094 0.049 0.000 1.051 172 V CA 0.600 62.932 62.300 0.053 0.000 1.010 172 V CB 1.251 33.108 31.823 0.056 0.000 0.988 172 V HN 0.631 nan 8.190 nan 0.000 0.478 173 G N 3.301 112.135 108.800 0.058 0.000 2.505 173 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.214 173 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.214 173 G C 0.233 175.163 174.900 0.049 0.000 1.237 173 G CA 0.951 46.082 45.100 0.052 0.000 0.802 173 G HN 0.831 nan 8.290 nan 0.000 0.549 174 D N -1.229 119.207 120.400 0.060 0.000 2.937 174 D HA 0.323 4.962 4.640 -0.000 0.000 0.215 174 D C -1.333 175.009 176.300 0.069 0.000 1.274 174 D CA -0.556 53.475 54.000 0.052 0.000 0.869 174 D CB 1.873 42.700 40.800 0.044 0.000 1.675 174 D HN 0.054 nan 8.370 nan 0.000 0.538 175 V N 1.203 121.142 119.914 0.042 0.000 2.567 175 V HA 0.326 4.446 4.120 -0.000 0.000 0.289 175 V C -0.051 176.029 176.094 -0.024 0.000 1.049 175 V CA -0.384 61.935 62.300 0.031 0.000 0.969 175 V CB 1.451 33.280 31.823 0.010 0.000 0.995 175 V HN 0.610 nan 8.190 nan 0.000 0.471 176 Q N 3.856 123.612 119.800 -0.073 0.000 2.413 176 Q HA 0.384 4.724 4.340 -0.000 0.000 0.258 176 Q C -0.978 174.758 176.000 -0.441 0.000 1.037 176 Q CA -0.293 55.358 55.803 -0.254 0.000 0.764 176 Q CB 1.285 29.864 28.738 -0.266 0.000 1.217 176 Q HN 0.704 nan 8.270 nan 0.000 0.490 177 L N 5.178 126.215 121.223 -0.311 0.000 2.410 177 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 177 L C -0.945 175.734 176.870 -0.318 0.000 1.144 177 L CA 0.436 55.133 54.840 -0.238 0.000 0.863 177 L CB 0.096 42.074 42.059 -0.135 0.000 1.140 177 L HN 0.795 nan 8.230 nan 0.000 0.463 178 F N 5.510 125.429 119.950 -0.051 0.000 2.573 178 F HA 0.403 4.930 4.527 -0.000 0.000 0.349 178 F C 1.070 176.830 175.800 -0.068 0.000 1.213 178 F CA 0.660 58.634 58.000 -0.043 0.000 1.300 178 F CB 0.363 39.394 39.000 0.052 0.000 1.661 178 F HN 0.763 nan 8.300 nan 0.000 0.616 179 G N -0.118 108.691 108.800 0.014 0.000 2.451 179 G HA2 0.264 4.224 3.960 -0.000 0.000 0.083 179 G HA3 0.264 4.224 3.960 -0.000 0.000 0.083 179 G C -1.140 173.700 174.900 -0.100 0.000 1.107 179 G CA -0.348 44.728 45.100 -0.039 0.000 1.117 179 G HN 0.315 nan 8.290 nan 0.000 0.454 180 S N -0.746 114.881 115.700 -0.121 0.000 2.542 180 S HA 0.532 5.002 4.470 -0.000 0.000 0.276 180 S C -0.772 173.763 174.600 -0.109 0.000 1.148 180 S CA 0.021 58.148 58.200 -0.122 0.000 0.886 180 S CB 1.617 64.716 63.200 -0.168 0.000 1.109 180 S HN 0.919 nan 8.310 nan 0.000 0.458 181 Q N 2.475 122.241 119.800 -0.058 0.000 2.392 181 Q HA 0.259 4.599 4.340 -0.000 0.000 0.262 181 Q C -0.939 175.105 176.000 0.073 0.000 1.003 181 Q CA -0.081 55.708 55.803 -0.024 0.000 0.888 181 Q CB 0.311 29.058 28.738 0.014 0.000 1.260 181 Q HN 0.652 nan 8.270 nan 0.000 0.435 182 Y N 0.943 121.258 120.300 0.025 0.000 2.511 182 Y HA 0.342 4.892 4.550 -0.000 0.000 0.347 182 Y C 0.172 176.137 175.900 0.108 0.000 1.257 182 Y CA 0.118 58.250 58.100 0.053 0.000 1.469 182 Y CB 0.922 39.426 38.460 0.073 0.000 1.353 182 Y HN 0.720 nan 8.280 nan 0.000 0.617 183 A N 2.593 125.583 122.820 0.284 0.000 2.565 183 A HA 0.433 4.753 4.320 -0.000 0.000 0.298 183 A C -1.153 176.388 177.584 -0.073 0.000 1.062 183 A CA -0.957 51.206 52.037 0.209 0.000 0.723 183 A CB 0.745 19.878 19.000 0.222 0.000 1.282 183 A HN 0.632 nan 8.150 nan 0.000 0.400 184 M N 1.982 121.333 119.600 -0.414 0.000 2.842 184 M HA 0.247 4.727 4.480 -0.000 0.000 0.314 184 M C 0.233 176.164 176.300 -0.615 0.000 1.646 184 M CA 0.465 55.260 55.300 -0.841 0.000 1.484 184 M CB -0.872 30.636 32.600 -1.820 0.000 1.727 184 M HN 0.544 nan 8.290 nan 0.000 0.468 185 R N 4.438 124.658 120.500 -0.466 0.000 2.297 185 R HA 0.624 4.964 4.340 -0.000 0.000 0.308 185 R C -1.263 174.570 176.300 -0.779 0.000 1.029 185 R CA -0.018 55.741 56.100 -0.569 0.000 0.929 185 R CB 0.481 30.506 30.300 -0.459 0.000 1.046 185 R HN 0.729 nan 8.270 nan 0.000 0.461 186 I N 3.799 123.867 120.570 -0.836 0.000 2.465 186 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 186 I C -0.803 174.920 176.117 -0.655 0.000 1.014 186 I CA -0.701 60.227 61.300 -0.620 0.000 1.093 186 I CB 1.808 39.621 38.000 -0.312 0.000 1.267 186 I HN 0.530 nan 8.210 nan 0.000 0.431 187 W N 6.641 127.926 121.300 -0.026 0.000 2.347 187 W HA 0.520 5.180 4.660 -0.000 0.000 0.321 187 W C -0.272 176.233 176.519 -0.024 0.000 0.971 187 W CA -0.700 56.633 57.345 -0.021 0.000 1.508 187 W CB 0.604 30.043 29.460 -0.036 0.000 1.299 187 W HN 0.211 nan 8.180 nan 0.000 0.399 188 M N 3.354 123.052 119.600 0.164 0.000 2.307 188 M HA -0.004 4.476 4.480 -0.000 0.000 0.346 188 M C 0.601 176.884 176.300 -0.029 0.000 1.552 188 M CA 0.485 55.846 55.300 0.102 0.000 1.116 188 M CB 0.064 32.779 32.600 0.191 0.000 1.889 188 M HN 0.269 nan 8.290 nan 0.000 0.460 189 N N 5.593 124.200 118.700 -0.155 0.000 2.442 189 N HA 0.149 4.889 4.740 -0.000 0.000 0.265 189 N C -1.928 173.257 175.510 -0.542 0.000 1.138 189 N CA -1.550 51.227 53.050 -0.455 0.000 0.956 189 N CB 1.278 39.587 38.487 -0.297 0.000 1.067 189 N HN 0.307 nan 8.380 nan 0.000 0.474 190 P HA 0.007 nan 4.420 nan 0.000 0.219 190 P C 0.590 177.647 177.300 -0.405 0.000 1.150 190 P CA 0.870 63.439 63.100 -0.884 0.000 0.814 190 P CB 0.487 31.262 31.700 -1.542 0.000 0.787 191 N N -0.259 118.208 118.700 -0.388 0.000 2.270 191 N HA -0.098 4.642 4.740 -0.000 0.000 0.181 191 N C 1.358 176.827 175.510 -0.069 0.000 1.016 191 N CA 0.954 53.918 53.050 -0.143 0.000 0.870 191 N CB -0.506 37.932 38.487 -0.082 0.000 0.979 191 N HN 0.216 nan 8.380 nan 0.000 0.431 192 E N 0.219 120.378 120.200 -0.069 0.000 2.489 192 E HA 0.105 4.454 4.350 -0.000 0.000 0.193 192 E C 1.712 178.409 176.600 0.161 0.000 1.057 192 E CA -0.035 56.413 56.400 0.080 0.000 0.866 192 E CB 0.322 30.060 29.700 0.062 0.000 0.916 192 E HN 0.404 nan 8.360 nan 0.000 0.500 193 L N 0.395 121.660 121.223 0.069 0.000 2.145 193 L HA 0.005 4.345 4.340 -0.000 0.000 0.201 193 L C 2.362 179.311 176.870 0.132 0.000 1.075 193 L CA 0.609 55.523 54.840 0.124 0.000 0.773 193 L CB -0.336 41.794 42.059 0.119 0.000 0.936 193 L HN 0.138 nan 8.230 nan 0.000 0.451 194 N N 0.630 119.373 118.700 0.071 0.000 2.289 194 N HA -0.248 4.491 4.740 -0.000 0.000 0.184 194 N C 1.861 177.324 175.510 -0.078 0.000 1.016 194 N CA 0.856 53.893 53.050 -0.022 0.000 0.872 194 N CB 0.232 38.631 38.487 -0.146 0.000 0.973 194 N HN 0.190 nan 8.380 nan 0.000 0.433 195 K N -0.131 120.229 120.400 -0.065 0.000 2.057 195 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 195 K C 0.591 176.970 176.600 -0.369 0.000 1.050 195 K CA 1.362 57.505 56.287 -0.240 0.000 0.935 195 K CB -0.019 32.305 32.500 -0.293 0.000 0.715 195 K HN 0.127 nan 8.250 nan 0.000 0.439 196 F N 1.260 121.195 119.950 -0.026 0.000 2.641 196 F HA 0.250 4.777 4.527 -0.000 0.000 0.302 196 F C -0.633 175.165 175.800 -0.003 0.000 1.098 196 F CA -0.467 57.525 58.000 -0.014 0.000 1.318 196 F CB 0.151 39.146 39.000 -0.009 0.000 1.035 196 F HN -0.016 nan 8.300 nan 0.000 0.551 197 Q N 1.210 121.078 119.800 0.114 0.000 2.420 197 Q HA -0.130 4.210 4.340 -0.000 0.000 0.359 197 Q C -1.070 175.002 176.000 0.120 0.000 1.403 197 Q CA 0.455 56.311 55.803 0.088 0.000 0.982 197 Q CB -1.220 27.551 28.738 0.055 0.000 1.137 197 Q HN 0.475 nan 8.270 nan 0.000 0.317 198 L N -0.062 121.244 121.223 0.138 0.000 2.600 198 L HA 0.767 5.107 4.340 -0.000 0.000 0.257 198 L C -0.081 176.892 176.870 0.172 0.000 1.048 198 L CA -0.749 54.173 54.840 0.136 0.000 0.869 198 L CB 2.565 44.697 42.059 0.121 0.000 1.482 198 L HN 0.483 nan 8.230 nan 0.000 0.408 199 T N -3.598 111.053 114.554 0.162 0.000 2.887 199 T HA 0.432 4.782 4.350 -0.000 0.000 0.292 199 T C -2.516 172.286 174.700 0.170 0.000 1.087 199 T CA -1.685 60.535 62.100 0.200 0.000 1.009 199 T CB 1.915 70.891 68.868 0.181 0.000 1.203 199 T HN 0.247 nan 8.240 nan 0.000 0.518 200 P HA -0.009 nan 4.420 nan 0.000 0.222 200 P C 1.528 178.876 177.300 0.080 0.000 1.147 200 P CA 0.346 63.519 63.100 0.123 0.000 0.790 200 P CB -0.122 31.624 31.700 0.078 0.000 0.780 201 V N 0.281 120.244 119.914 0.082 0.000 2.427 201 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 201 V C 1.894 178.017 176.094 0.049 0.000 1.051 201 V CA 1.863 64.199 62.300 0.060 0.000 1.048 201 V CB -1.017 30.843 31.823 0.061 0.000 0.666 201 V HN 0.172 nan 8.190 nan 0.000 0.456 202 D N 0.059 120.494 120.400 0.058 0.000 2.224 202 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 202 D C 2.105 178.421 176.300 0.028 0.000 0.965 202 D CA 1.040 55.065 54.000 0.042 0.000 0.852 202 D CB 0.283 41.113 40.800 0.050 0.000 0.947 202 D HN 0.387 nan 8.370 nan 0.000 0.494 203 V N 1.190 121.126 119.914 0.036 0.000 2.488 203 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 203 V C 2.476 178.576 176.094 0.011 0.000 1.046 203 V CA 0.812 63.125 62.300 0.022 0.000 1.053 203 V CB -0.217 31.626 31.823 0.033 0.000 0.679 203 V HN 0.116 nan 8.190 nan 0.000 0.458 204 I N 0.438 121.018 120.570 0.016 0.000 2.394 204 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 204 I C 2.452 178.570 176.117 0.001 0.000 1.136 204 I CA 1.583 62.887 61.300 0.007 0.000 1.425 204 I CB -0.500 37.510 38.000 0.016 0.000 1.079 204 I HN 0.291 nan 8.210 nan 0.000 0.425 205 T N 0.527 115.084 114.554 0.005 0.000 2.904 205 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 205 T C 2.023 176.715 174.700 -0.014 0.000 1.059 205 T CA 1.175 63.274 62.100 -0.000 0.000 1.137 205 T CB -0.160 68.711 68.868 0.006 0.000 0.879 205 T HN 0.442 nan 8.240 nan 0.000 0.467 206 A N 0.996 123.805 122.820 -0.018 0.000 2.014 206 A HA 0.109 4.428 4.320 -0.000 0.000 0.218 206 A C 2.142 179.692 177.584 -0.057 0.000 1.163 206 A CA 0.877 52.892 52.037 -0.037 0.000 0.652 206 A CB -0.572 18.406 19.000 -0.037 0.000 0.808 206 A HN 0.539 nan 8.150 nan 0.000 0.449 207 I N -1.042 119.503 120.570 -0.042 0.000 2.716 207 I HA -0.059 4.111 4.170 -0.000 0.000 0.259 207 I C 0.720 176.810 176.117 -0.046 0.000 1.172 207 I CA 0.709 61.979 61.300 -0.051 0.000 1.478 207 I CB 0.033 38.037 38.000 0.008 0.000 1.104 207 I HN 0.072 nan 8.210 nan 0.000 0.439 208 K N 1.594 121.975 120.400 -0.030 0.000 2.997 208 K HA 0.480 4.800 4.320 -0.000 0.000 0.249 208 K C 0.247 176.832 176.600 -0.024 0.000 1.284 208 K CA 0.129 56.403 56.287 -0.021 0.000 1.245 208 K CB 0.712 33.207 32.500 -0.009 0.000 1.670 208 K HN 0.273 nan 8.250 nan 0.000 0.385 209 A N 0.048 122.845 122.820 -0.039 0.000 1.889 209 A HA -0.061 4.259 4.320 -0.000 0.000 0.204 209 A C 1.383 178.934 177.584 -0.055 0.000 1.739 209 A CA -0.206 51.807 52.037 -0.039 0.000 1.589 209 A CB 0.061 19.040 19.000 -0.035 0.000 1.485 209 A HN 0.292 nan 8.150 nan 0.000 0.472 210 Q N -0.132 119.620 119.800 -0.080 0.000 2.165 210 Q HA 0.025 4.365 4.340 -0.000 0.000 0.197 210 Q C 0.410 176.330 176.000 -0.133 0.000 0.952 210 Q CA 1.074 56.813 55.803 -0.107 0.000 0.848 210 Q CB 0.004 28.662 28.738 -0.134 0.000 0.931 210 Q HN 0.513 nan 8.270 nan 0.000 0.470 211 N N 0.919 119.523 118.700 -0.160 0.000 2.807 211 N HA 0.319 5.058 4.740 -0.000 0.000 0.259 211 N C -1.659 173.818 175.510 -0.055 0.000 1.149 211 N CA -0.023 52.934 53.050 -0.154 0.000 1.042 211 N CB 0.300 38.648 38.487 -0.231 0.000 1.367 211 N HN 0.209 nan 8.380 nan 0.000 0.516 212 A N 1.958 124.754 122.820 -0.039 0.000 2.599 212 A HA 0.399 4.719 4.320 -0.000 0.000 0.294 212 A C -1.420 176.157 177.584 -0.011 0.000 1.055 212 A CA -0.824 51.205 52.037 -0.013 0.000 0.683 212 A CB 1.194 20.185 19.000 -0.016 0.000 1.278 212 A HN 0.405 nan 8.150 nan 0.000 0.412 213 Q N 1.132 120.931 119.800 -0.001 0.000 2.325 213 Q HA 0.524 4.864 4.340 -0.000 0.000 0.262 213 Q C -0.832 175.166 176.000 -0.003 0.000 0.968 213 Q CA -0.480 55.322 55.803 -0.002 0.000 0.877 213 Q CB 2.056 30.796 28.738 0.003 0.000 1.253 213 Q HN 0.554 nan 8.270 nan 0.000 0.448 214 V N 1.292 121.202 119.914 -0.007 0.000 2.612 214 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 214 V C 0.095 176.186 176.094 -0.005 0.000 1.046 214 V CA -0.774 61.522 62.300 -0.006 0.000 0.946 214 V CB 1.658 33.476 31.823 -0.009 0.000 1.003 214 V HN 0.817 nan 8.190 nan 0.000 0.459 215 A N 3.535 126.352 122.820 -0.004 0.000 2.923 215 A HA 0.722 5.042 4.320 -0.000 0.000 0.306 215 A C 0.596 178.178 177.584 -0.005 0.000 1.542 215 A CA -0.069 51.965 52.037 -0.004 0.000 1.225 215 A CB -0.485 18.513 19.000 -0.003 0.000 1.147 215 A HN 1.181 nan 8.150 nan 0.000 0.542 216 A N 1.645 124.461 122.820 -0.005 0.000 2.366 216 A HA 0.623 4.943 4.320 -0.000 0.000 0.249 216 A C 1.233 178.815 177.584 -0.005 0.000 1.084 216 A CA 0.231 52.265 52.037 -0.005 0.000 0.794 216 A CB 0.048 19.044 19.000 -0.006 0.000 1.034 216 A HN 1.077 nan 8.150 nan 0.000 0.491 217 G N -0.233 108.564 108.800 -0.004 0.000 2.961 217 G HA2 0.449 4.409 3.960 -0.000 0.000 0.150 217 G HA3 0.449 4.409 3.960 -0.000 0.000 0.150 217 G C -0.026 174.872 174.900 -0.004 0.000 1.864 217 G CA 0.658 45.756 45.100 -0.004 0.000 0.992 217 G HN 1.233 nan 8.290 nan 0.000 0.458 218 Q N -1.370 118.427 119.800 -0.004 0.000 2.468 218 Q HA 0.415 4.755 4.340 -0.000 0.000 0.263 218 Q C -1.376 174.622 176.000 -0.003 0.000 0.979 218 Q CA -0.827 54.974 55.803 -0.003 0.000 0.932 218 Q CB 1.028 29.764 28.738 -0.003 0.000 1.462 218 Q HN 0.350 nan 8.270 nan 0.000 0.403 219 L N 1.878 123.099 121.223 -0.003 0.000 2.490 219 L HA 0.458 4.798 4.340 -0.000 0.000 0.274 219 L C 0.969 177.837 176.870 -0.003 0.000 1.201 219 L CA 1.020 55.858 54.840 -0.003 0.000 0.869 219 L CB 0.104 42.161 42.059 -0.003 0.000 1.123 219 L HN 1.066 nan 8.230 nan 0.000 0.484 220 G N 2.695 111.493 108.800 -0.002 0.000 2.462 220 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.283 220 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.283 220 G C 0.406 175.304 174.900 -0.002 0.000 1.043 220 G CA -0.186 44.912 45.100 -0.002 0.000 1.300 220 G HN 1.073 nan 8.290 nan 0.000 0.518 221 G N 0.215 109.013 108.800 -0.002 0.000 2.683 221 G HA2 0.469 4.429 3.960 -0.000 0.000 0.260 221 G HA3 0.469 4.429 3.960 -0.000 0.000 0.260 221 G C 1.281 176.180 174.900 -0.002 0.000 1.238 221 G CA 0.699 45.797 45.100 -0.002 0.000 0.934 221 G HN 0.689 nan 8.290 nan 0.000 0.534 222 T N 1.131 115.683 114.554 -0.002 0.000 2.746 222 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 222 T C -1.182 173.517 174.700 -0.002 0.000 1.039 222 T CA 1.349 63.448 62.100 -0.002 0.000 1.142 222 T CB -0.509 68.357 68.868 -0.002 0.000 0.866 222 T HN 0.445 nan 8.240 nan 0.000 0.444 223 P HA 0.418 nan 4.420 nan 0.000 0.247 223 P C -2.623 174.676 177.300 -0.002 0.000 1.683 223 P CA -1.450 61.649 63.100 -0.002 0.000 1.143 223 P CB 1.015 32.714 31.700 -0.002 0.000 1.577 224 P HA 0.303 nan 4.420 nan 0.000 0.301 224 P C -0.683 176.616 177.300 -0.002 0.000 1.309 224 P CA -0.643 62.456 63.100 -0.002 0.000 0.782 224 P CB 0.981 32.680 31.700 -0.002 0.000 1.282 225 V N -0.025 119.888 119.914 -0.002 0.000 2.509 225 V HA 0.228 4.348 4.120 -0.000 0.000 0.284 225 V C 0.464 176.557 176.094 -0.001 0.000 1.047 225 V CA -0.776 61.523 62.300 -0.001 0.000 0.952 225 V CB 0.393 32.215 31.823 -0.001 0.000 0.988 225 V HN 0.404 nan 8.190 nan 0.000 0.469 226 K N 3.243 123.642 120.400 -0.001 0.000 2.395 226 K HA 0.460 4.780 4.320 -0.000 0.000 0.283 226 K C 0.949 177.548 176.600 -0.001 0.000 1.068 226 K CA 0.920 57.206 56.287 -0.001 0.000 1.039 226 K CB 0.013 32.512 32.500 -0.001 0.000 0.924 226 K HN 1.162 nan 8.250 nan 0.000 0.468 227 G N 1.870 110.670 108.800 -0.001 0.000 2.151 227 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.140 227 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.140 227 G C -0.339 174.561 174.900 -0.001 0.000 1.020 227 G CA -0.674 44.425 45.100 -0.001 0.000 0.688 227 G HN 0.492 nan 8.290 nan 0.000 0.500 228 Q N -0.011 119.788 119.800 -0.001 0.000 2.314 228 Q HA 0.664 5.004 4.340 -0.000 0.000 0.258 228 Q C 1.360 177.360 176.000 -0.001 0.000 0.954 228 Q CA 0.234 56.036 55.803 -0.001 0.000 0.890 228 Q CB 1.184 29.922 28.738 -0.001 0.000 1.210 228 Q HN 0.270 nan 8.270 nan 0.000 0.410 229 Q N 2.068 121.867 119.800 -0.001 0.000 2.259 229 Q HA 0.297 4.637 4.340 -0.000 0.000 0.201 229 Q C -0.203 175.796 176.000 -0.001 0.000 0.938 229 Q CA 0.641 56.444 55.803 -0.001 0.000 0.872 229 Q CB 0.276 29.014 28.738 -0.001 0.000 0.971 229 Q HN 0.715 nan 8.270 nan 0.000 0.494 230 L N -1.656 119.566 121.223 -0.001 0.000 2.313 230 L HA 0.645 4.985 4.340 -0.000 0.000 0.268 230 L C -0.924 175.945 176.870 -0.002 0.000 1.010 230 L CA -0.819 54.021 54.840 -0.001 0.000 0.814 230 L CB 2.044 44.102 42.059 -0.002 0.000 1.304 230 L HN -0.023 nan 8.230 nan 0.000 0.441 231 N N 1.672 120.371 118.700 -0.002 0.000 2.752 231 N HA 0.568 5.308 4.740 -0.000 0.000 0.268 231 N C -1.936 173.573 175.510 -0.002 0.000 1.190 231 N CA -0.143 52.906 53.050 -0.002 0.000 0.897 231 N CB 1.947 40.432 38.487 -0.002 0.000 1.515 231 N HN 1.062 nan 8.380 nan 0.000 0.567 232 A N 1.616 124.434 122.820 -0.002 0.000 2.527 232 A HA 0.720 5.040 4.320 -0.000 0.000 0.293 232 A C -0.439 177.143 177.584 -0.003 0.000 1.117 232 A CA -0.583 51.453 52.037 -0.003 0.000 0.723 232 A CB 1.405 20.403 19.000 -0.002 0.000 1.313 232 A HN 0.584 nan 8.150 nan 0.000 0.411 233 S N 0.384 116.082 115.700 -0.003 0.000 2.525 233 S HA 0.666 5.136 4.470 -0.000 0.000 0.278 233 S C -0.262 174.336 174.600 -0.004 0.000 1.234 233 S CA -0.393 57.805 58.200 -0.003 0.000 1.058 233 S CB 0.295 63.493 63.200 -0.004 0.000 0.983 233 S HN 0.509 nan 8.310 nan 0.000 0.495 234 I N 2.535 123.103 120.570 -0.004 0.000 2.395 234 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 234 I C -0.518 175.596 176.117 -0.005 0.000 1.023 234 I CA -0.592 60.705 61.300 -0.005 0.000 1.350 234 I CB 0.824 38.821 38.000 -0.005 0.000 1.409 234 I HN 0.540 nan 8.210 nan 0.000 0.507 235 I N 5.100 125.666 120.570 -0.006 0.000 2.412 235 I HA 0.496 4.666 4.170 -0.000 0.000 0.296 235 I C 0.478 176.590 176.117 -0.008 0.000 0.987 235 I CA 0.333 61.629 61.300 -0.007 0.000 1.180 235 I CB 1.777 39.774 38.000 -0.006 0.000 1.340 235 I HN 0.761 nan 8.210 nan 0.000 0.455 236 A N 4.815 127.629 122.820 -0.009 0.000 2.085 236 A HA 0.448 4.768 4.320 -0.000 0.000 0.202 236 A C 0.014 177.589 177.584 -0.015 0.000 2.124 236 A CA -0.153 51.877 52.037 -0.012 0.000 1.584 236 A CB 0.102 19.095 19.000 -0.011 0.000 1.136 236 A HN 0.560 nan 8.150 nan 0.000 0.493 237 Q N 0.724 120.514 119.800 -0.017 0.000 2.261 237 Q HA 0.504 4.844 4.340 -0.000 0.000 0.252 237 Q C -1.189 174.800 176.000 -0.018 0.000 0.915 237 Q CA 0.098 55.888 55.803 -0.022 0.000 0.915 237 Q CB 1.283 30.006 28.738 -0.026 0.000 1.204 237 Q HN 0.467 nan 8.270 nan 0.000 0.421 238 T N 2.179 116.721 114.554 -0.021 0.000 2.863 238 T HA 0.344 4.694 4.350 -0.000 0.000 0.285 238 T C -0.203 174.489 174.700 -0.012 0.000 1.009 238 T CA -0.718 61.374 62.100 -0.012 0.000 0.989 238 T CB 1.171 70.034 68.868 -0.009 0.000 1.004 238 T HN 0.375 nan 8.240 nan 0.000 0.455 239 R N 1.971 122.476 120.500 0.009 0.000 2.537 239 R HA 0.228 4.568 4.340 -0.000 0.000 0.280 239 R C 0.127 176.466 176.300 0.064 0.000 1.058 239 R CA -0.607 55.516 56.100 0.039 0.000 1.057 239 R CB 0.276 30.617 30.300 0.070 0.000 0.973 239 R HN 0.347 nan 8.270 nan 0.000 0.438 240 L N 1.903 123.168 121.223 0.069 0.000 2.473 240 L HA 0.033 4.372 4.340 -0.000 0.000 0.268 240 L C 1.341 178.409 176.870 0.331 0.000 1.215 240 L CA 0.889 55.784 54.840 0.091 0.000 0.823 240 L CB 1.026 42.968 42.059 -0.195 0.000 1.099 240 L HN 0.810 nan 8.230 nan 0.000 0.483 241 T N -0.877 113.845 114.554 0.280 0.000 3.205 241 T HA 0.086 4.436 4.350 -0.000 0.000 0.238 241 T C 0.746 175.650 174.700 0.341 0.000 0.974 241 T CA 0.355 62.623 62.100 0.280 0.000 1.246 241 T CB 0.358 69.308 68.868 0.135 0.000 1.007 241 T HN 0.705 nan 8.240 nan 0.000 0.414 242 S N 0.339 116.181 115.700 0.237 0.000 2.739 242 S HA 0.446 4.916 4.470 -0.000 0.000 0.306 242 S C 1.218 175.906 174.600 0.147 0.000 1.115 242 S CA -0.123 58.177 58.200 0.166 0.000 0.985 242 S CB 1.158 64.417 63.200 0.098 0.000 1.133 242 S HN 0.136 nan 8.310 nan 0.000 0.541 243 T N -0.483 114.101 114.554 0.051 0.000 2.833 243 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 243 T C 1.488 176.223 174.700 0.058 0.000 1.054 243 T CA 2.082 64.187 62.100 0.008 0.000 1.135 243 T CB -0.728 68.117 68.868 -0.037 0.000 0.869 243 T HN 0.761 nan 8.240 nan 0.000 0.466 244 E N 0.048 120.281 120.200 0.055 0.000 2.072 244 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 244 E C 2.091 178.719 176.600 0.047 0.000 0.985 244 E CA 1.213 57.638 56.400 0.042 0.000 0.801 244 E CB -0.006 29.712 29.700 0.030 0.000 0.750 244 E HN 0.663 nan 8.360 nan 0.000 0.452 245 E N -0.572 119.667 120.200 0.065 0.000 2.208 245 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 245 E C 1.753 178.336 176.600 -0.029 0.000 0.988 245 E CA 0.463 56.872 56.400 0.015 0.000 0.828 245 E CB -0.072 29.634 29.700 0.010 0.000 0.763 245 E HN 0.315 nan 8.360 nan 0.000 0.478 246 F N 0.951 120.856 119.950 -0.074 0.000 2.325 246 F HA 0.016 4.542 4.527 -0.000 0.000 0.299 246 F C 2.389 178.133 175.800 -0.093 0.000 1.090 246 F CA 1.099 59.036 58.000 -0.106 0.000 1.392 246 F CB -0.098 38.802 39.000 -0.167 0.000 1.053 246 F HN 0.036 nan 8.300 nan 0.000 0.521 247 G N -0.610 108.242 108.800 0.087 0.000 2.534 247 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 247 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 247 G C 1.178 176.067 174.900 -0.018 0.000 1.128 247 G CA 0.141 45.256 45.100 0.024 0.000 0.784 247 G HN 0.238 nan 8.290 nan 0.000 0.542 248 K N 0.461 120.840 120.400 -0.035 0.000 2.814 248 K HA 0.334 4.653 4.320 -0.000 0.000 0.213 248 K C -0.409 176.142 176.600 -0.081 0.000 1.113 248 K CA -0.265 55.989 56.287 -0.054 0.000 1.145 248 K CB 0.582 33.055 32.500 -0.046 0.000 0.948 248 K HN 0.244 nan 8.250 nan 0.000 0.464 249 I N 1.991 122.506 120.570 -0.092 0.000 2.325 249 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 249 I C -0.125 175.941 176.117 -0.085 0.000 1.019 249 I CA -1.003 60.231 61.300 -0.110 0.000 1.302 249 I CB 0.797 38.716 38.000 -0.135 0.000 1.401 249 I HN 0.024 nan 8.210 nan 0.000 0.485 250 L N 7.717 128.893 121.223 -0.078 0.000 2.385 250 L HA 0.165 4.505 4.340 -0.000 0.000 0.281 250 L C 0.556 177.390 176.870 -0.060 0.000 1.106 250 L CA 0.611 55.411 54.840 -0.067 0.000 0.856 250 L CB 0.416 42.442 42.059 -0.054 0.000 1.186 250 L HN 0.619 nan 8.230 nan 0.000 0.453 251 L N 3.482 124.665 121.223 -0.066 0.000 2.084 251 L HA 0.175 4.515 4.340 -0.000 0.000 0.202 251 L C 0.930 177.779 176.870 -0.034 0.000 1.074 251 L CA 0.790 55.600 54.840 -0.051 0.000 0.757 251 L CB -0.151 41.869 42.059 -0.064 0.000 0.918 251 L HN 0.573 nan 8.230 nan 0.000 0.444 252 K N -1.066 119.310 120.400 -0.041 0.000 2.499 252 K HA 0.559 4.879 4.320 -0.000 0.000 0.277 252 K C -1.757 174.837 176.600 -0.010 0.000 1.025 252 K CA -0.677 55.604 56.287 -0.011 0.000 0.900 252 K CB 2.519 35.029 32.500 0.016 0.000 1.494 252 K HN -0.243 nan 8.250 nan 0.000 0.442 253 V N 0.807 120.729 119.914 0.013 0.000 2.439 253 V HA 0.388 4.508 4.120 -0.000 0.000 0.277 253 V C -0.857 175.261 176.094 0.040 0.000 1.008 253 V CA -1.144 61.168 62.300 0.020 0.000 0.846 253 V CB 0.814 32.642 31.823 0.008 0.000 1.031 253 V HN 0.681 nan 8.190 nan 0.000 0.441 254 N N 3.205 121.947 118.700 0.069 0.000 2.492 254 N HA 0.217 4.957 4.740 -0.000 0.000 0.260 254 N C 1.322 176.860 175.510 0.046 0.000 1.215 254 N CA 0.129 53.224 53.050 0.076 0.000 0.923 254 N CB 1.061 39.621 38.487 0.121 0.000 1.092 254 N HN 0.857 nan 8.380 nan 0.000 0.448 255 Q N 1.432 121.251 119.800 0.033 0.000 2.377 255 Q HA -0.388 3.952 4.340 -0.000 0.000 0.225 255 Q C 0.536 176.547 176.000 0.018 0.000 1.097 255 Q CA 2.456 58.272 55.803 0.020 0.000 0.985 255 Q CB -0.792 27.954 28.738 0.013 0.000 1.071 255 Q HN 0.835 nan 8.270 nan 0.000 0.505 256 D N -0.220 120.192 120.400 0.020 0.000 2.344 256 D HA 0.123 4.763 4.640 -0.000 0.000 0.242 256 D C 0.951 177.262 176.300 0.018 0.000 1.159 256 D CA 0.580 54.590 54.000 0.016 0.000 0.859 256 D CB -0.202 40.606 40.800 0.014 0.000 0.925 256 D HN 0.674 nan 8.370 nan 0.000 0.510 257 G N 1.109 109.921 108.800 0.020 0.000 2.148 257 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 257 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 257 G C 0.333 175.246 174.900 0.022 0.000 0.981 257 G CA 0.425 45.535 45.100 0.017 0.000 0.670 257 G HN 0.729 nan 8.290 nan 0.000 0.528 258 S N -0.176 115.545 115.700 0.036 0.000 2.545 258 S HA 0.684 5.153 4.470 -0.000 0.000 0.275 258 S C 0.342 174.965 174.600 0.040 0.000 1.299 258 S CA -0.585 57.644 58.200 0.047 0.000 1.048 258 S CB 1.579 64.828 63.200 0.082 0.000 0.938 258 S HN 0.467 nan 8.310 nan 0.000 0.496 259 R N 1.878 122.387 120.500 0.015 0.000 2.265 259 R HA 0.452 4.792 4.340 -0.000 0.000 0.319 259 R C -1.044 175.213 176.300 -0.071 0.000 1.006 259 R CA -0.653 55.435 56.100 -0.021 0.000 0.880 259 R CB 1.390 31.673 30.300 -0.028 0.000 1.077 259 R HN 0.552 nan 8.270 nan 0.000 0.454 260 V N 5.862 125.700 119.914 -0.126 0.000 2.407 260 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 260 V C 0.400 176.361 176.094 -0.221 0.000 1.037 260 V CA -0.503 61.614 62.300 -0.305 0.000 0.900 260 V CB 1.078 32.660 31.823 -0.402 0.000 0.983 260 V HN 0.566 nan 8.190 nan 0.000 0.459 261 L N 3.674 124.760 121.223 -0.228 0.000 2.304 261 L HA 0.470 4.810 4.340 -0.000 0.000 0.268 261 L C 0.988 177.771 176.870 -0.144 0.000 1.010 261 L CA -0.800 53.952 54.840 -0.147 0.000 0.813 261 L CB 1.335 43.331 42.059 -0.104 0.000 1.315 261 L HN 0.464 nan 8.230 nan 0.000 0.445 262 L N 0.998 122.167 121.223 -0.090 0.000 2.217 262 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 262 L C 2.518 179.359 176.870 -0.049 0.000 1.107 262 L CA 1.557 56.361 54.840 -0.061 0.000 0.783 262 L CB -0.829 41.216 42.059 -0.024 0.000 0.919 262 L HN 0.672 nan 8.230 nan 0.000 0.442 263 R N -0.584 119.889 120.500 -0.046 0.000 2.090 263 R HA -0.131 4.209 4.340 -0.000 0.000 0.228 263 R C 1.416 177.689 176.300 -0.044 0.000 1.110 263 R CA 1.622 57.705 56.100 -0.029 0.000 0.973 263 R CB -0.471 29.817 30.300 -0.019 0.000 0.869 263 R HN 0.355 nan 8.270 nan 0.000 0.440 264 D N 0.749 121.096 120.400 -0.088 0.000 2.178 264 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 264 D C 1.796 178.036 176.300 -0.100 0.000 0.974 264 D CA 1.556 55.490 54.000 -0.109 0.000 0.841 264 D CB 0.153 40.823 40.800 -0.217 0.000 0.953 264 D HN 0.341 nan 8.370 nan 0.000 0.478 265 V N -2.711 117.132 119.914 -0.120 0.000 3.590 265 V HA 0.598 4.717 4.120 -0.000 0.000 0.265 265 V C 0.483 176.556 176.094 -0.035 0.000 1.239 265 V CA 0.428 62.684 62.300 -0.072 0.000 1.117 265 V CB -0.063 31.707 31.823 -0.088 0.000 0.818 265 V HN 0.082 nan 8.190 nan 0.000 0.451 266 A N -0.126 122.682 122.820 -0.020 0.000 2.589 266 A HA 0.571 4.890 4.320 -0.000 0.000 0.296 266 A C -0.603 177.006 177.584 0.042 0.000 1.062 266 A CA -0.768 51.278 52.037 0.014 0.000 0.686 266 A CB 1.365 20.373 19.000 0.013 0.000 1.282 266 A HN 0.234 nan 8.150 nan 0.000 0.404 267 K N 1.158 121.623 120.400 0.109 0.000 2.295 267 K HA 0.517 4.837 4.320 -0.000 0.000 0.270 267 K C -1.047 175.636 176.600 0.139 0.000 1.011 267 K CA 0.066 56.445 56.287 0.153 0.000 0.953 267 K CB 0.267 32.911 32.500 0.240 0.000 0.956 267 K HN 0.577 nan 8.250 nan 0.000 0.477 268 I N 4.111 124.734 120.570 0.088 0.000 2.493 268 I HA 0.147 4.317 4.170 -0.000 0.000 0.279 268 I C -0.603 175.526 176.117 0.021 0.000 1.045 268 I CA -0.503 60.793 61.300 -0.007 0.000 1.106 268 I CB 1.574 39.549 38.000 -0.042 0.000 1.216 268 I HN 0.672 nan 8.210 nan 0.000 0.459 269 E N 6.809 127.045 120.200 0.060 0.000 2.222 269 E HA 0.360 4.710 4.350 -0.000 0.000 0.267 269 E C -1.465 175.115 176.600 -0.033 0.000 0.884 269 E CA -0.949 55.502 56.400 0.085 0.000 0.764 269 E CB 2.646 32.504 29.700 0.264 0.000 1.169 269 E HN 0.429 nan 8.360 nan 0.000 0.413 270 L N 4.701 125.845 121.223 -0.131 0.000 2.375 270 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 270 L C -0.203 176.452 176.870 -0.358 0.000 1.162 270 L CA 0.420 55.073 54.840 -0.312 0.000 0.991 270 L CB 0.045 41.851 42.059 -0.421 0.000 1.315 270 L HN 0.700 nan 8.230 nan 0.000 0.431 271 G N 2.222 111.001 108.800 -0.036 0.000 3.175 271 G HA2 0.612 4.572 3.960 -0.000 0.000 0.255 271 G HA3 0.612 4.572 3.960 -0.000 0.000 0.255 271 G C -0.272 174.815 174.900 0.312 0.000 1.352 271 G CA -0.464 44.801 45.100 0.274 0.000 1.037 271 G HN 0.718 nan 8.290 nan 0.000 0.556 272 G N -1.342 107.526 108.800 0.114 0.000 2.594 272 G HA2 0.358 4.318 3.960 -0.000 0.000 0.243 272 G HA3 0.358 4.318 3.960 -0.000 0.000 0.243 272 G C 0.711 175.476 174.900 -0.225 0.000 1.229 272 G CA 0.529 45.511 45.100 -0.197 0.000 0.843 272 G HN 0.729 nan 8.290 nan 0.000 0.578 273 E N -0.335 119.783 120.200 -0.136 0.000 2.299 273 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 273 E C 0.464 176.914 176.600 -0.249 0.000 0.998 273 E CA 0.247 56.579 56.400 -0.114 0.000 0.851 273 E CB 0.139 29.873 29.700 0.056 0.000 0.795 273 E HN 0.444 nan 8.360 nan 0.000 0.492 274 N N -0.415 118.121 118.700 -0.272 0.000 2.549 274 N HA 0.029 4.769 4.740 -0.000 0.000 0.290 274 N C -1.354 174.033 175.510 -0.204 0.000 1.122 274 N CA -0.425 52.523 53.050 -0.171 0.000 0.885 274 N CB 0.905 39.319 38.487 -0.122 0.000 1.455 274 N HN 0.007 nan 8.380 nan 0.000 0.521 275 Y N 1.379 121.684 120.300 0.008 0.000 2.532 275 Y HA 0.213 4.763 4.550 -0.000 0.000 0.283 275 Y C 1.490 177.393 175.900 0.005 0.000 1.181 275 Y CA -0.326 57.787 58.100 0.020 0.000 1.256 275 Y CB 0.325 38.810 38.460 0.041 0.000 1.112 275 Y HN 0.503 nan 8.280 nan 0.000 0.521 276 D N 0.970 121.427 120.400 0.096 0.000 2.224 276 D HA -0.020 4.620 4.640 -0.000 0.000 0.205 276 D C 0.386 176.714 176.300 0.048 0.000 0.965 276 D CA 1.144 55.183 54.000 0.064 0.000 0.852 276 D CB 0.294 41.114 40.800 0.033 0.000 0.947 276 D HN 0.414 nan 8.370 nan 0.000 0.494 277 I N -1.725 118.861 120.570 0.026 0.000 2.619 277 I HA 0.419 4.588 4.170 -0.000 0.000 0.292 277 I C -1.478 174.649 176.117 0.017 0.000 1.100 277 I CA -1.305 60.013 61.300 0.029 0.000 1.043 277 I CB 2.181 40.197 38.000 0.028 0.000 1.239 277 I HN -0.311 nan 8.210 nan 0.000 0.420 278 I N 3.208 123.783 120.570 0.009 0.000 2.571 278 I HA 0.887 5.057 4.170 -0.000 0.000 0.286 278 I C -0.004 176.068 176.117 -0.074 0.000 1.134 278 I CA -0.960 60.329 61.300 -0.018 0.000 1.052 278 I CB 1.318 39.317 38.000 -0.002 0.000 1.237 278 I HN 0.815 nan 8.210 nan 0.000 0.435 279 A N 4.203 126.947 122.820 -0.126 0.000 2.279 279 A HA 0.887 5.207 4.320 -0.000 0.000 0.303 279 A C -0.200 177.190 177.584 -0.325 0.000 1.108 279 A CA -0.281 51.566 52.037 -0.317 0.000 0.830 279 A CB 0.769 19.452 19.000 -0.529 0.000 1.106 279 A HN 0.792 nan 8.150 nan 0.000 0.493 280 E N -1.076 118.866 120.200 -0.430 0.000 2.378 280 E HA 0.606 4.956 4.350 -0.000 0.000 0.265 280 E C -1.938 174.481 176.600 -0.302 0.000 0.932 280 E CA -0.418 55.815 56.400 -0.279 0.000 0.795 280 E CB 2.254 31.848 29.700 -0.178 0.000 1.296 280 E HN 0.476 nan 8.360 nan 0.000 0.438 281 F N 2.266 122.077 119.950 -0.231 0.000 2.902 281 F HA 0.312 4.839 4.527 -0.000 0.000 0.368 281 F C -1.007 174.776 175.800 -0.029 0.000 1.202 281 F CA -0.708 57.242 58.000 -0.085 0.000 1.109 281 F CB 0.179 39.211 39.000 0.052 0.000 1.418 281 F HN 0.527 nan 8.300 nan 0.000 0.527 282 N N 3.177 121.631 118.700 -0.410 0.000 2.735 282 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 282 N C 0.667 176.076 175.510 -0.169 0.000 1.083 282 N CA 1.291 54.139 53.050 -0.337 0.000 0.703 282 N CB -1.400 36.790 38.487 -0.494 0.000 1.005 282 N HN 1.373 nan 8.380 nan 0.000 0.550 283 G N -0.956 107.776 108.800 -0.113 0.000 2.225 283 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 283 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 283 G C -0.352 174.524 174.900 -0.041 0.000 1.060 283 G CA 0.460 45.521 45.100 -0.066 0.000 0.833 283 G HN 0.726 nan 8.290 nan 0.000 0.498 284 Q N -0.094 119.695 119.800 -0.018 0.000 2.305 284 Q HA 0.512 4.852 4.340 -0.000 0.000 0.271 284 Q C -2.634 173.380 176.000 0.023 0.000 1.046 284 Q CA -2.386 53.432 55.803 0.024 0.000 0.798 284 Q CB 2.879 31.669 28.738 0.085 0.000 1.286 284 Q HN 0.166 nan 8.270 nan 0.000 0.435 285 P HA 0.149 nan 4.420 nan 0.000 0.267 285 P C -1.405 175.891 177.300 -0.007 0.000 1.209 285 P CA 0.350 63.442 63.100 -0.014 0.000 0.763 285 P CB 0.881 32.577 31.700 -0.008 0.000 0.816 286 A N 2.158 124.956 122.820 -0.037 0.000 2.610 286 A HA 0.634 4.954 4.320 -0.000 0.000 0.291 286 A C -0.588 176.975 177.584 -0.036 0.000 1.086 286 A CA -0.431 51.591 52.037 -0.025 0.000 0.677 286 A CB 1.371 20.381 19.000 0.015 0.000 1.278 286 A HN 0.438 nan 8.150 nan 0.000 0.414 287 S N -1.569 114.144 115.700 0.021 0.000 2.786 287 S HA 0.974 5.443 4.470 -0.000 0.000 0.302 287 S C 0.250 174.977 174.600 0.212 0.000 1.080 287 S CA 0.278 58.532 58.200 0.089 0.000 0.925 287 S CB 1.634 64.859 63.200 0.042 0.000 1.325 287 S HN 2.421 nan 8.310 nan 0.000 0.576 288 G N -0.404 108.556 108.800 0.266 0.000 2.348 288 G HA2 0.458 4.418 3.960 -0.000 0.000 0.296 288 G HA3 0.458 4.418 3.960 -0.000 0.000 0.296 288 G C -2.371 172.696 174.900 0.278 0.000 1.258 288 G CA -0.659 44.582 45.100 0.235 0.000 0.868 288 G HN 0.715 nan 8.290 nan 0.000 0.488 289 L N 1.111 122.471 121.223 0.228 0.000 2.568 289 L HA 0.529 4.869 4.340 -0.000 0.000 0.262 289 L C 0.412 177.377 176.870 0.158 0.000 0.980 289 L CA -0.588 54.337 54.840 0.142 0.000 0.882 289 L CB 2.091 44.180 42.059 0.050 0.000 1.198 289 L HN 0.836 nan 8.230 nan 0.000 0.425 290 G N 4.438 113.317 108.800 0.131 0.000 2.807 290 G HA2 0.453 4.413 3.960 -0.000 0.000 0.316 290 G HA3 0.453 4.413 3.960 -0.000 0.000 0.316 290 G C -0.162 174.868 174.900 0.217 0.000 0.900 290 G CA -0.242 44.876 45.100 0.030 0.000 1.499 290 G HN 0.387 nan 8.290 nan 0.000 0.484 291 I N 1.520 122.235 120.570 0.241 0.000 2.496 291 I HA 0.252 4.422 4.170 -0.000 0.000 0.285 291 I C 0.615 176.953 176.117 0.369 0.000 1.080 291 I CA 0.020 61.472 61.300 0.252 0.000 1.404 291 I CB 1.291 39.391 38.000 0.168 0.000 1.403 291 I HN 0.409 nan 8.210 nan 0.000 0.539 292 K N 6.784 127.346 120.400 0.270 0.000 2.328 292 K HA 0.553 4.873 4.320 -0.000 0.000 0.246 292 K C -0.924 175.745 176.600 0.116 0.000 0.955 292 K CA -0.788 55.602 56.287 0.171 0.000 0.817 292 K CB 1.441 33.974 32.500 0.054 0.000 1.208 292 K HN 0.463 nan 8.250 nan 0.000 0.432 293 L N 1.795 123.075 121.223 0.095 0.000 2.476 293 L HA 0.159 4.499 4.340 -0.000 0.000 0.264 293 L C 0.630 177.541 176.870 0.069 0.000 1.224 293 L CA 0.198 55.089 54.840 0.085 0.000 0.821 293 L CB 1.084 43.195 42.059 0.086 0.000 1.101 293 L HN 1.051 nan 8.230 nan 0.000 0.488 294 A N 0.629 123.487 122.820 0.062 0.000 2.708 294 A HA 0.228 4.548 4.320 -0.000 0.000 0.293 294 A C 0.593 178.206 177.584 0.048 0.000 1.303 294 A CA -0.049 52.020 52.037 0.052 0.000 0.949 294 A CB -0.386 18.641 19.000 0.046 0.000 1.121 294 A HN 0.855 nan 8.150 nan 0.000 0.542 295 T N -0.598 113.989 114.554 0.054 0.000 3.580 295 T HA -0.102 4.248 4.350 -0.000 0.000 0.402 295 T C 1.160 175.888 174.700 0.046 0.000 0.765 295 T CA 1.453 63.585 62.100 0.053 0.000 2.064 295 T CB -1.907 66.993 68.868 0.054 0.000 1.724 295 T HN 2.120 nan 8.240 nan 0.000 0.719 296 G N -1.539 107.290 108.800 0.049 0.000 2.273 296 G HA2 0.327 4.287 3.960 -0.000 0.000 0.162 296 G HA3 0.327 4.287 3.960 -0.000 0.000 0.162 296 G C 0.279 175.205 174.900 0.043 0.000 1.006 296 G CA 0.319 45.445 45.100 0.043 0.000 0.704 296 G HN 1.596 nan 8.290 nan 0.000 0.487 297 A N 0.222 123.071 122.820 0.048 0.000 2.366 297 A HA 0.546 4.866 4.320 -0.000 0.000 0.250 297 A C 0.676 178.289 177.584 0.049 0.000 1.099 297 A CA 0.201 52.266 52.037 0.047 0.000 0.794 297 A CB 0.145 19.177 19.000 0.052 0.000 1.056 297 A HN 0.323 nan 8.150 nan 0.000 0.499 298 N N 1.076 119.803 118.700 0.044 0.000 3.298 298 N HA 0.279 5.019 4.740 -0.000 0.000 0.292 298 N C 1.356 176.894 175.510 0.046 0.000 1.271 298 N CA 0.583 53.658 53.050 0.042 0.000 1.184 298 N CB 0.458 38.965 38.487 0.033 0.000 1.452 298 N HN 0.747 nan 8.380 nan 0.000 0.534 299 A N 1.831 124.685 122.820 0.057 0.000 1.698 299 A HA -0.305 4.015 4.320 -0.000 0.000 0.315 299 A C 1.991 179.609 177.584 0.057 0.000 3.574 299 A CA 2.427 54.503 52.037 0.064 0.000 0.952 299 A CB -1.065 17.973 19.000 0.064 0.000 0.759 299 A HN 0.585 nan 8.150 nan 0.000 0.516 300 L N -1.662 119.585 121.223 0.041 0.000 2.131 300 L HA -0.009 4.331 4.340 -0.000 0.000 0.206 300 L C 1.696 178.585 176.870 0.031 0.000 1.087 300 L CA 2.518 57.380 54.840 0.035 0.000 0.767 300 L CB -0.475 41.595 42.059 0.018 0.000 0.917 300 L HN 0.407 nan 8.230 nan 0.000 0.441 301 D N -0.274 120.142 120.400 0.027 0.000 2.219 301 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 301 D C 2.014 178.333 176.300 0.031 0.000 0.970 301 D CA 1.681 55.695 54.000 0.023 0.000 0.851 301 D CB -0.151 40.660 40.800 0.019 0.000 0.943 301 D HN 0.422 nan 8.370 nan 0.000 0.488 302 T N 0.510 115.089 114.554 0.041 0.000 2.857 302 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 302 T C 1.973 176.707 174.700 0.057 0.000 1.048 302 T CA 1.097 63.226 62.100 0.049 0.000 1.139 302 T CB -0.011 68.891 68.868 0.057 0.000 0.874 302 T HN 0.183 nan 8.240 nan 0.000 0.455 303 A N 0.879 123.736 122.820 0.061 0.000 2.066 303 A HA 0.381 4.701 4.320 -0.000 0.000 0.218 303 A C 2.434 180.050 177.584 0.054 0.000 1.157 303 A CA 1.367 53.445 52.037 0.070 0.000 0.670 303 A CB -0.583 18.462 19.000 0.075 0.000 0.804 303 A HN 0.473 nan 8.150 nan 0.000 0.453 304 A N -0.447 122.395 122.820 0.038 0.000 1.975 304 A HA 0.393 4.713 4.320 -0.000 0.000 0.215 304 A C 2.220 179.821 177.584 0.029 0.000 1.170 304 A CA 1.323 53.375 52.037 0.024 0.000 0.656 304 A CB -0.543 18.465 19.000 0.013 0.000 0.821 304 A HN 0.918 nan 8.150 nan 0.000 0.449 305 A N -0.706 122.134 122.820 0.034 0.000 2.208 305 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 305 A C 1.804 179.416 177.584 0.045 0.000 1.161 305 A CA 0.419 52.476 52.037 0.034 0.000 0.782 305 A CB -0.477 18.541 19.000 0.030 0.000 0.816 305 A HN 0.450 nan 8.150 nan 0.000 0.477 306 I N -1.022 119.583 120.570 0.058 0.000 2.439 306 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 306 I C 2.569 178.736 176.117 0.083 0.000 1.139 306 I CA 1.092 62.437 61.300 0.074 0.000 1.438 306 I CB -0.001 38.055 38.000 0.093 0.000 1.085 306 I HN 0.246 nan 8.210 nan 0.000 0.427 307 R N 1.450 121.996 120.500 0.077 0.000 2.153 307 R HA 0.032 4.371 4.340 -0.000 0.000 0.218 307 R C 2.059 178.389 176.300 0.051 0.000 1.072 307 R CA 1.441 57.586 56.100 0.076 0.000 0.990 307 R CB -0.577 29.752 30.300 0.048 0.000 0.889 307 R HN 0.292 nan 8.270 nan 0.000 0.452 308 A N 0.249 123.092 122.820 0.039 0.000 1.877 308 A HA -0.157 4.162 4.320 -0.000 0.000 0.216 308 A C 2.087 179.691 177.584 0.033 0.000 1.186 308 A CA 1.765 53.819 52.037 0.029 0.000 0.620 308 A CB -0.573 18.441 19.000 0.024 0.000 0.822 308 A HN 0.408 nan 8.150 nan 0.000 0.443 309 E N -0.339 119.884 120.200 0.039 0.000 2.107 309 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 309 E C 1.856 178.486 176.600 0.050 0.000 0.982 309 E CA 0.954 57.378 56.400 0.040 0.000 0.809 309 E CB -0.315 29.408 29.700 0.038 0.000 0.756 309 E HN 0.532 nan 8.360 nan 0.000 0.459 310 L N -0.457 120.802 121.223 0.059 0.000 2.201 310 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 310 L C 2.043 178.934 176.870 0.035 0.000 1.105 310 L CA 1.421 56.304 54.840 0.072 0.000 0.775 310 L CB -0.207 41.913 42.059 0.101 0.000 0.913 310 L HN 0.216 nan 8.230 nan 0.000 0.440 311 A N -0.539 122.295 122.820 0.024 0.000 1.968 311 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 311 A C 2.117 179.688 177.584 -0.022 0.000 1.169 311 A CA 1.072 53.103 52.037 -0.010 0.000 0.638 311 A CB -0.244 18.755 19.000 -0.001 0.000 0.812 311 A HN 0.321 nan 8.150 nan 0.000 0.446 312 K N -0.961 119.454 120.400 0.026 0.000 2.366 312 K HA 0.126 4.446 4.320 -0.000 0.000 0.198 312 K C 1.492 178.186 176.600 0.156 0.000 1.044 312 K CA 0.789 57.126 56.287 0.082 0.000 0.973 312 K CB -0.257 32.300 32.500 0.094 0.000 0.767 312 K HN 0.497 nan 8.250 nan 0.000 0.475 313 M N 0.736 120.389 119.600 0.089 0.000 2.388 313 M HA -0.028 4.451 4.480 -0.000 0.000 0.265 313 M C 1.680 177.876 176.300 -0.174 0.000 1.088 313 M CA 1.073 56.461 55.300 0.147 0.000 1.134 313 M CB 0.107 32.826 32.600 0.197 0.000 1.384 313 M HN 0.074 nan 8.290 nan 0.000 0.447 314 E N 0.233 120.149 120.200 -0.474 0.000 2.058 314 E HA -0.209 4.140 4.350 -0.000 0.000 0.194 314 E C -0.747 175.399 176.600 -0.756 0.000 0.997 314 E CA 1.416 57.231 56.400 -0.975 0.000 0.801 314 E CB -1.419 27.985 29.700 -0.493 0.000 0.746 314 E HN 0.408 nan 8.360 nan 0.000 0.450 315 P HA -0.140 nan 4.420 nan 0.000 0.220 315 P C 0.344 177.336 177.300 -0.514 0.000 1.148 315 P CA 1.133 63.894 63.100 -0.566 0.000 0.803 315 P CB -0.080 31.125 31.700 -0.825 0.000 0.782 316 F N -2.047 117.919 119.950 0.026 0.000 2.898 316 F HA 0.258 4.785 4.527 -0.000 0.000 0.290 316 F C 0.553 176.604 175.800 0.418 0.000 1.195 316 F CA -0.702 57.405 58.000 0.178 0.000 1.387 316 F CB -0.639 38.465 39.000 0.174 0.000 0.976 316 F HN -0.236 nan 8.300 nan 0.000 0.510 317 F N 1.570 121.631 119.950 0.186 0.000 2.385 317 F HA 0.488 5.015 4.527 -0.000 0.000 0.336 317 F C -1.388 174.416 175.800 0.006 0.000 1.100 317 F CA -3.876 54.210 58.000 0.143 0.000 1.116 317 F CB 0.186 39.257 39.000 0.119 0.000 1.166 317 F HN -0.050 nan 8.300 nan 0.000 0.511 318 P HA 0.027 nan 4.420 nan 0.000 0.274 318 P C -0.603 176.695 177.300 -0.003 0.000 1.264 318 P CA -0.439 62.620 63.100 -0.069 0.000 0.795 318 P CB 0.373 31.927 31.700 -0.244 0.000 1.064 319 S N -0.600 115.092 115.700 -0.014 0.000 2.488 319 S HA 0.403 4.873 4.470 -0.000 0.000 0.278 319 S C 1.230 175.829 174.600 -0.001 0.000 1.259 319 S CA 0.780 58.984 58.200 0.006 0.000 1.061 319 S CB -1.302 61.899 63.200 0.002 0.000 0.910 319 S HN 0.821 nan 8.310 nan 0.000 0.491 320 G N 3.974 112.787 108.800 0.022 0.000 2.258 320 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.233 320 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.233 320 G C 0.125 175.041 174.900 0.027 0.000 1.006 320 G CA -0.100 45.012 45.100 0.020 0.000 0.620 320 G HN 0.680 nan 8.290 nan 0.000 0.511 321 L N 1.642 122.877 121.223 0.021 0.000 2.530 321 L HA 0.498 4.837 4.340 -0.000 0.000 0.273 321 L C 0.423 177.387 176.870 0.158 0.000 1.141 321 L CA 0.724 55.566 54.840 0.004 0.000 0.905 321 L CB 0.722 42.682 42.059 -0.165 0.000 1.202 321 L HN 0.449 nan 8.230 nan 0.000 0.473 322 K N 5.120 125.583 120.400 0.104 0.000 2.426 322 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 322 K C -1.034 175.607 176.600 0.068 0.000 0.941 322 K CA -0.759 55.608 56.287 0.134 0.000 0.808 322 K CB 2.013 34.562 32.500 0.082 0.000 1.265 322 K HN 0.473 nan 8.250 nan 0.000 0.432 323 I N 3.540 124.156 120.570 0.076 0.000 2.385 323 I HA 0.351 4.520 4.170 -0.000 0.000 0.294 323 I C -0.342 175.661 176.117 -0.189 0.000 0.988 323 I CA -1.054 60.197 61.300 -0.082 0.000 1.265 323 I CB 1.602 39.574 38.000 -0.047 0.000 1.388 323 I HN 0.354 nan 8.210 nan 0.000 0.480 324 V N 7.100 126.772 119.914 -0.403 0.000 3.001 324 V HA 0.477 4.597 4.120 -0.000 0.000 0.314 324 V C -1.597 174.157 176.094 -0.567 0.000 1.099 324 V CA -0.420 61.668 62.300 -0.353 0.000 0.989 324 V CB 2.633 34.187 31.823 -0.449 0.000 1.040 324 V HN 0.545 nan 8.190 nan 0.000 0.434 325 Y N 4.747 124.992 120.300 -0.093 0.000 2.705 325 Y HA 0.532 5.082 4.550 -0.000 0.000 0.355 325 Y C -2.266 173.625 175.900 -0.015 0.000 1.039 325 Y CA -1.987 56.075 58.100 -0.063 0.000 1.233 325 Y CB 1.043 39.491 38.460 -0.020 0.000 1.103 325 Y HN 0.515 nan 8.280 nan 0.000 0.624 326 P HA 0.244 nan 4.420 nan 0.000 0.287 326 P C -0.949 176.432 177.300 0.135 0.000 1.270 326 P CA -0.770 62.402 63.100 0.120 0.000 0.844 326 P CB 1.185 32.989 31.700 0.174 0.000 1.068 327 Y N -0.235 120.060 120.300 -0.008 0.000 2.852 327 Y HA -0.228 4.322 4.550 -0.000 0.000 0.103 327 Y C -0.961 174.930 175.900 -0.016 0.000 1.903 327 Y CA 0.740 58.809 58.100 -0.051 0.000 1.090 327 Y CB -1.154 37.219 38.460 -0.145 0.000 1.730 327 Y HN 0.426 nan 8.280 nan 0.000 0.315 328 D N 2.791 123.187 120.400 -0.006 0.000 2.936 328 D HA 0.320 4.960 4.640 -0.000 0.000 0.238 328 D C 0.268 176.573 176.300 0.008 0.000 1.248 328 D CA 0.032 54.069 54.000 0.062 0.000 0.903 328 D CB 1.959 42.812 40.800 0.088 0.000 1.544 328 D HN 0.245 nan 8.370 nan 0.000 0.543 329 T N 1.549 116.139 114.554 0.060 0.000 3.081 329 T HA 0.028 4.378 4.350 -0.000 0.000 0.250 329 T C 1.472 176.252 174.700 0.133 0.000 1.100 329 T CA 0.963 63.113 62.100 0.083 0.000 1.038 329 T CB 0.154 69.081 68.868 0.099 0.000 0.962 329 T HN 0.443 nan 8.240 nan 0.000 0.516 330 T N 2.922 117.534 114.554 0.098 0.000 2.652 330 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 330 T C -0.640 174.117 174.700 0.095 0.000 1.039 330 T CA 1.470 63.616 62.100 0.076 0.000 1.153 330 T CB -0.931 67.958 68.868 0.035 0.000 0.863 330 T HN 0.440 nan 8.240 nan 0.000 0.428 331 P HA 0.032 nan 4.420 nan 0.000 0.229 331 P C 1.188 178.648 177.300 0.267 0.000 1.160 331 P CA 0.617 63.813 63.100 0.160 0.000 0.777 331 P CB -0.190 31.605 31.700 0.158 0.000 0.814 332 F N 0.602 120.637 119.950 0.142 0.000 2.259 332 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 332 F C 2.150 177.968 175.800 0.030 0.000 1.088 332 F CA 0.820 58.910 58.000 0.151 0.000 1.358 332 F CB -0.645 38.441 39.000 0.143 0.000 1.040 332 F HN -0.305 nan 8.300 nan 0.000 0.505 333 V N 0.073 120.002 119.914 0.025 0.000 2.453 333 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 333 V C 2.380 178.418 176.094 -0.094 0.000 1.048 333 V CA 1.959 64.205 62.300 -0.090 0.000 1.049 333 V CB -0.353 31.453 31.823 -0.028 0.000 0.672 333 V HN 0.222 nan 8.190 nan 0.000 0.457 334 K N -0.900 119.483 120.400 -0.029 0.000 2.366 334 K HA -0.034 4.286 4.320 -0.000 0.000 0.198 334 K C 1.712 178.304 176.600 -0.013 0.000 1.044 334 K CA 0.888 57.164 56.287 -0.017 0.000 0.973 334 K CB 0.033 32.535 32.500 0.004 0.000 0.767 334 K HN 0.336 nan 8.250 nan 0.000 0.475 335 I N -0.106 120.429 120.570 -0.060 0.000 2.867 335 I HA -0.077 4.093 4.170 -0.000 0.000 0.265 335 I C 1.684 177.676 176.117 -0.209 0.000 1.162 335 I CA 0.896 62.134 61.300 -0.103 0.000 1.471 335 I CB 0.296 38.190 38.000 -0.177 0.000 1.123 335 I HN -0.040 nan 8.210 nan 0.000 0.440 336 S N 0.170 115.676 115.700 -0.322 0.000 2.428 336 S HA 0.016 4.486 4.470 -0.000 0.000 0.230 336 S C 2.007 176.534 174.600 -0.121 0.000 1.014 336 S CA 1.056 59.076 58.200 -0.300 0.000 0.957 336 S CB -0.196 62.736 63.200 -0.445 0.000 0.784 336 S HN 0.353 nan 8.310 nan 0.000 0.499 337 I N 0.430 120.953 120.570 -0.079 0.000 2.480 337 I HA -0.080 4.089 4.170 -0.000 0.000 0.251 337 I C 2.314 178.448 176.117 0.028 0.000 1.124 337 I CA 1.051 62.344 61.300 -0.011 0.000 1.444 337 I CB -0.232 37.762 38.000 -0.010 0.000 1.098 337 I HN 0.275 nan 8.210 nan 0.000 0.428 338 H N 0.955 119.978 119.070 -0.079 0.000 2.529 338 H HA 0.004 4.560 4.556 -0.000 0.000 0.277 338 H C 1.805 177.087 175.328 -0.077 0.000 0.999 338 H CA 1.187 57.194 56.048 -0.068 0.000 1.256 338 H CB 0.279 30.001 29.762 -0.067 0.000 1.402 338 H HN 0.197 nan 8.280 nan 0.000 0.566 339 E N -0.767 119.313 120.200 -0.200 0.000 2.389 339 E HA 0.048 4.398 4.350 -0.000 0.000 0.199 339 E C 1.920 178.424 176.600 -0.159 0.000 0.978 339 E CA 0.372 56.624 56.400 -0.246 0.000 0.912 339 E CB 0.670 30.241 29.700 -0.216 0.000 0.907 339 E HN 0.317 nan 8.360 nan 0.000 0.494 340 V N 0.775 120.643 119.914 -0.076 0.000 2.599 340 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 340 V C 2.245 178.315 176.094 -0.040 0.000 1.046 340 V CA 0.817 63.098 62.300 -0.032 0.000 1.065 340 V CB 0.185 32.062 31.823 0.089 0.000 0.703 340 V HN 0.027 nan 8.190 nan 0.000 0.464 341 V N -0.233 119.663 119.914 -0.029 0.000 2.871 341 V HA -0.125 3.995 4.120 -0.000 0.000 0.256 341 V C 2.326 178.383 176.094 -0.062 0.000 1.082 341 V CA 1.498 63.789 62.300 -0.015 0.000 1.105 341 V CB -0.457 31.379 31.823 0.022 0.000 0.713 341 V HN 0.435 nan 8.190 nan 0.000 0.473 342 K N 0.091 120.411 120.400 -0.134 0.000 2.103 342 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 342 K C 2.238 178.757 176.600 -0.135 0.000 1.052 342 K CA 1.460 57.647 56.287 -0.166 0.000 0.945 342 K CB -0.462 31.863 32.500 -0.292 0.000 0.722 342 K HN 0.342 nan 8.250 nan 0.000 0.443 343 T N 1.533 116.003 114.554 -0.141 0.000 2.867 343 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 343 T C 1.406 176.038 174.700 -0.113 0.000 1.057 343 T CA 0.918 62.934 62.100 -0.141 0.000 1.136 343 T CB -0.117 68.646 68.868 -0.176 0.000 0.874 343 T HN 0.140 nan 8.240 nan 0.000 0.466 344 L N 1.040 122.213 121.223 -0.083 0.000 2.017 344 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 344 L C 2.351 179.187 176.870 -0.056 0.000 1.073 344 L CA 1.765 56.571 54.840 -0.057 0.000 0.745 344 L CB -1.055 40.992 42.059 -0.020 0.000 0.894 344 L HN 0.125 nan 8.230 nan 0.000 0.432 345 V N 0.291 120.171 119.914 -0.056 0.000 2.667 345 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 345 V C 2.484 178.540 176.094 -0.064 0.000 1.065 345 V CA 1.365 63.633 62.300 -0.054 0.000 1.083 345 V CB -0.171 31.623 31.823 -0.048 0.000 0.692 345 V HN 0.480 nan 8.190 nan 0.000 0.468 346 E N -0.123 120.032 120.200 -0.076 0.000 2.158 346 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 346 E C 2.197 178.751 176.600 -0.077 0.000 0.982 346 E CA 1.026 57.379 56.400 -0.078 0.000 0.823 346 E CB -0.167 29.477 29.700 -0.093 0.000 0.766 346 E HN 0.599 nan 8.360 nan 0.000 0.468 347 A N 0.537 123.305 122.820 -0.086 0.000 2.067 347 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 347 A C 1.982 179.533 177.584 -0.056 0.000 1.156 347 A CA 0.535 52.518 52.037 -0.090 0.000 0.683 347 A CB -0.204 18.729 19.000 -0.113 0.000 0.808 347 A HN 0.108 nan 8.150 nan 0.000 0.455 348 I N -0.921 119.623 120.570 -0.043 0.000 2.333 348 I HA -0.084 4.086 4.170 -0.000 0.000 0.246 348 I C 2.219 178.340 176.117 0.007 0.000 1.106 348 I CA 0.884 62.172 61.300 -0.019 0.000 1.411 348 I CB -0.048 37.935 38.000 -0.029 0.000 1.082 348 I HN 0.298 nan 8.210 nan 0.000 0.420 349 I N 0.463 121.021 120.570 -0.020 0.000 2.546 349 I HA -0.198 3.972 4.170 -0.000 0.000 0.255 349 I C 2.073 178.219 176.117 0.049 0.000 1.163 349 I CA 1.112 62.404 61.300 -0.014 0.000 1.457 349 I CB 0.251 38.215 38.000 -0.060 0.000 1.092 349 I HN 0.187 nan 8.210 nan 0.000 0.434 350 L N -0.990 120.242 121.223 0.015 0.000 2.375 350 L HA -0.043 4.296 4.340 -0.000 0.000 0.215 350 L C 2.311 179.190 176.870 0.015 0.000 1.108 350 L CA 0.238 55.084 54.840 0.010 0.000 0.830 350 L CB -0.141 41.897 42.059 -0.035 0.000 0.959 350 L HN 0.042 nan 8.230 nan 0.000 0.457 351 V N -0.321 119.603 119.914 0.018 0.000 2.626 351 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 351 V C 2.165 178.281 176.094 0.037 0.000 1.067 351 V CA 1.586 63.889 62.300 0.005 0.000 1.081 351 V CB -0.245 31.576 31.823 -0.003 0.000 0.686 351 V HN 0.341 nan 8.190 nan 0.000 0.468 352 F N -0.089 119.824 119.950 -0.061 0.000 2.186 352 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 352 F C 1.931 177.719 175.800 -0.020 0.000 1.090 352 F CA 1.595 59.555 58.000 -0.066 0.000 1.307 352 F CB 0.047 38.989 39.000 -0.096 0.000 1.019 352 F HN 0.064 nan 8.300 nan 0.000 0.489 353 L N -1.082 120.225 121.223 0.140 0.000 2.156 353 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 353 L C 2.179 179.072 176.870 0.038 0.000 1.095 353 L CA 0.559 55.461 54.840 0.102 0.000 0.770 353 L CB -0.775 41.339 42.059 0.091 0.000 0.914 353 L HN -0.028 nan 8.230 nan 0.000 0.439 354 V N -0.679 119.229 119.914 -0.009 0.000 2.719 354 V HA -0.193 3.926 4.120 -0.000 0.000 0.252 354 V C 2.182 178.245 176.094 -0.053 0.000 1.065 354 V CA 1.306 63.583 62.300 -0.040 0.000 1.086 354 V CB -0.176 31.576 31.823 -0.119 0.000 0.700 354 V HN 0.359 nan 8.190 nan 0.000 0.467 355 M N -1.638 117.909 119.600 -0.089 0.000 2.558 355 M HA 0.052 4.532 4.480 -0.000 0.000 0.255 355 M C 1.694 177.986 176.300 -0.012 0.000 1.113 355 M CA 1.078 56.320 55.300 -0.096 0.000 1.097 355 M CB -0.078 32.421 32.600 -0.168 0.000 1.426 355 M HN 0.380 nan 8.290 nan 0.000 0.488 356 Y N -0.817 119.370 120.300 -0.188 0.000 2.476 356 Y HA 0.126 4.676 4.550 -0.000 0.000 0.283 356 Y C 1.538 177.459 175.900 0.036 0.000 1.109 356 Y CA 0.899 58.929 58.100 -0.116 0.000 1.246 356 Y CB 0.197 38.557 38.460 -0.168 0.000 1.068 356 Y HN 0.048 nan 8.280 nan 0.000 0.552 357 L N -1.557 119.708 121.223 0.071 0.000 2.056 357 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 357 L C 1.952 178.763 176.870 -0.098 0.000 1.078 357 L CA 1.604 56.415 54.840 -0.048 0.000 0.749 357 L CB -0.891 41.118 42.059 -0.083 0.000 0.901 357 L HN 0.189 nan 8.230 nan 0.000 0.433 358 F N 0.089 119.938 119.950 -0.167 0.000 2.149 358 F HA 0.023 4.549 4.527 -0.000 0.000 0.294 358 F C 1.174 176.971 175.800 -0.005 0.000 1.095 358 F CA 0.480 58.394 58.000 -0.145 0.000 1.276 358 F CB -0.129 38.809 39.000 -0.105 0.000 1.023 358 F HN -0.124 nan 8.300 nan 0.000 0.480 359 L N 1.487 122.841 121.223 0.218 0.000 2.295 359 L HA 0.312 4.652 4.340 -0.000 0.000 0.281 359 L C 1.104 178.053 176.870 0.131 0.000 1.018 359 L CA -0.415 54.547 54.840 0.205 0.000 0.841 359 L CB 1.272 43.419 42.059 0.147 0.000 1.218 359 L HN 0.165 nan 8.230 nan 0.000 0.424 360 Q N 1.468 121.384 119.800 0.193 0.000 2.436 360 Q HA 0.004 4.343 4.340 -0.000 0.000 0.209 360 Q C -0.099 175.926 176.000 0.041 0.000 0.965 360 Q CA 0.502 56.286 55.803 -0.030 0.000 0.910 360 Q CB 0.031 28.905 28.738 0.228 0.000 0.980 360 Q HN 0.641 nan 8.270 nan 0.000 0.491 361 N N 1.104 119.902 118.700 0.164 0.000 2.468 361 N HA -0.029 4.710 4.740 -0.000 0.000 0.265 361 N C -0.149 175.582 175.510 0.368 0.000 1.199 361 N CA 0.046 53.238 53.050 0.238 0.000 0.928 361 N CB 0.475 39.060 38.487 0.163 0.000 1.059 361 N HN 0.174 nan 8.380 nan 0.000 0.467 362 F N 3.860 124.003 119.950 0.321 0.000 2.206 362 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 362 F C 2.505 178.405 175.800 0.167 0.000 1.090 362 F CA 1.091 59.262 58.000 0.285 0.000 1.323 362 F CB 0.218 39.359 39.000 0.235 0.000 1.028 362 F HN 0.489 nan 8.300 nan 0.000 0.492 363 R N 0.512 121.188 120.500 0.292 0.000 2.235 363 R HA 0.072 4.412 4.340 -0.000 0.000 0.213 363 R C 1.898 178.248 176.300 0.083 0.000 1.059 363 R CA 1.047 57.253 56.100 0.175 0.000 0.997 363 R CB -1.151 29.261 30.300 0.187 0.000 0.884 363 R HN 0.326 nan 8.270 nan 0.000 0.462 364 A N 1.335 124.202 122.820 0.078 0.000 1.930 364 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 364 A C 1.664 179.238 177.584 -0.017 0.000 1.176 364 A CA 1.339 53.405 52.037 0.049 0.000 0.632 364 A CB -0.398 18.648 19.000 0.077 0.000 0.819 364 A HN 0.343 nan 8.150 nan 0.000 0.445 365 T N 0.160 114.651 114.554 -0.105 0.000 3.781 365 T HA 0.486 4.836 4.350 -0.000 0.000 0.286 365 T C 0.402 174.969 174.700 -0.221 0.000 1.277 365 T CA 0.200 62.137 62.100 -0.272 0.000 1.136 365 T CB -0.652 67.846 68.868 -0.617 0.000 1.202 365 T HN 0.324 nan 8.240 nan 0.000 0.884 366 L N 2.913 124.100 121.223 -0.060 0.000 3.094 366 L HA 0.190 4.530 4.340 -0.000 0.000 0.338 366 L C 1.740 178.643 176.870 0.055 0.000 1.018 366 L CA 0.159 55.012 54.840 0.022 0.000 1.520 366 L CB -0.149 41.932 42.059 0.036 0.000 2.533 366 L HN 0.414 nan 8.230 nan 0.000 0.576 367 I N 1.816 122.416 120.570 0.049 0.000 2.202 367 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 367 I C -0.625 175.511 176.117 0.031 0.000 1.091 367 I CA 1.320 62.657 61.300 0.060 0.000 1.368 367 I CB -1.558 36.479 38.000 0.061 0.000 1.058 367 I HN 0.228 nan 8.210 nan 0.000 0.410 368 P HA -0.031 nan 4.420 nan 0.000 0.222 368 P C 1.579 178.883 177.300 0.006 0.000 1.153 368 P CA 1.194 64.293 63.100 -0.002 0.000 0.798 368 P CB -0.122 31.567 31.700 -0.018 0.000 0.796 369 T N -0.190 114.381 114.554 0.029 0.000 2.867 369 T HA 0.014 4.363 4.350 -0.000 0.000 0.268 369 T C 1.160 175.868 174.700 0.013 0.000 1.057 369 T CA 1.017 63.146 62.100 0.049 0.000 1.136 369 T CB -0.527 68.412 68.868 0.118 0.000 0.874 369 T HN 0.130 nan 8.240 nan 0.000 0.466 370 I N 0.431 121.004 120.570 0.005 0.000 3.637 370 I HA 0.412 4.582 4.170 -0.000 0.000 0.342 370 I C 1.319 177.394 176.117 -0.071 0.000 1.545 370 I CA -0.300 60.976 61.300 -0.040 0.000 1.126 370 I CB 0.198 38.181 38.000 -0.029 0.000 1.375 370 I HN 0.094 nan 8.210 nan 0.000 0.467 371 A N 0.855 123.647 122.820 -0.047 0.000 2.011 371 A HA 0.090 4.410 4.320 -0.000 0.000 0.204 371 A C 2.049 179.599 177.584 -0.057 0.000 1.520 371 A CA 0.843 52.849 52.037 -0.052 0.000 0.819 371 A CB -0.464 18.520 19.000 -0.028 0.000 1.087 371 A HN 0.185 nan 8.150 nan 0.000 0.526 372 V N -1.835 118.052 119.914 -0.045 0.000 2.515 372 V HA -0.041 4.079 4.120 -0.000 0.000 0.250 372 V C -0.294 175.770 176.094 -0.050 0.000 1.058 372 V CA 1.694 63.966 62.300 -0.047 0.000 1.064 372 V CB -2.047 29.753 31.823 -0.038 0.000 0.675 372 V HN 0.382 nan 8.190 nan 0.000 0.461 373 P HA -0.101 nan 4.420 nan 0.000 0.216 373 P C 1.985 179.258 177.300 -0.046 0.000 1.150 373 P CA 1.640 64.716 63.100 -0.039 0.000 0.837 373 P CB -0.127 31.548 31.700 -0.041 0.000 0.786 374 V N 0.030 119.901 119.914 -0.073 0.000 2.427 374 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 374 V C 2.762 178.819 176.094 -0.062 0.000 1.051 374 V CA 1.517 63.770 62.300 -0.079 0.000 1.048 374 V CB -1.011 30.740 31.823 -0.120 0.000 0.666 374 V HN -0.053 nan 8.190 nan 0.000 0.456 375 V N -0.472 119.402 119.914 -0.067 0.000 2.667 375 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 375 V C 2.207 178.242 176.094 -0.098 0.000 1.065 375 V CA 1.359 63.616 62.300 -0.071 0.000 1.083 375 V CB -0.480 31.302 31.823 -0.069 0.000 0.692 375 V HN 0.418 nan 8.190 nan 0.000 0.468 376 L N -0.708 120.451 121.223 -0.106 0.000 2.109 376 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 376 L C 2.332 179.056 176.870 -0.243 0.000 1.086 376 L CA 1.373 56.100 54.840 -0.189 0.000 0.760 376 L CB -0.360 41.628 42.059 -0.118 0.000 0.910 376 L HN 0.273 nan 8.230 nan 0.000 0.437 377 L N -0.913 120.293 121.223 -0.027 0.000 2.093 377 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 377 L C 2.617 179.539 176.870 0.086 0.000 1.085 377 L CA 1.231 56.160 54.840 0.147 0.000 0.755 377 L CB -1.166 40.967 42.059 0.122 0.000 0.904 377 L HN 0.325 nan 8.230 nan 0.000 0.435 378 G N -0.754 108.045 108.800 -0.003 0.000 2.432 378 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 378 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 378 G C 1.584 176.475 174.900 -0.015 0.000 1.135 378 G CA 1.195 46.293 45.100 -0.003 0.000 0.767 378 G HN 0.257 nan 8.290 nan 0.000 0.550 379 T N 0.806 115.299 114.554 -0.101 0.000 2.821 379 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 379 T C 2.004 176.671 174.700 -0.055 0.000 1.046 379 T CA 0.730 62.758 62.100 -0.120 0.000 1.139 379 T CB -0.328 68.395 68.868 -0.242 0.000 0.871 379 T HN 0.354 nan 8.240 nan 0.000 0.454 380 F N 1.427 121.408 119.950 0.051 0.000 2.216 380 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 380 F C 2.669 178.495 175.800 0.043 0.000 1.085 380 F CA 0.583 58.616 58.000 0.054 0.000 1.326 380 F CB -0.293 38.728 39.000 0.034 0.000 1.027 380 F HN 0.141 nan 8.300 nan 0.000 0.497 381 A N -0.243 122.692 122.820 0.191 0.000 1.968 381 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 381 A C 2.187 179.791 177.584 0.034 0.000 1.169 381 A CA 1.488 53.579 52.037 0.090 0.000 0.638 381 A CB -0.944 18.086 19.000 0.049 0.000 0.812 381 A HN 0.185 nan 8.150 nan 0.000 0.446 382 V N 0.141 120.083 119.914 0.047 0.000 2.591 382 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 382 V C 2.398 178.568 176.094 0.127 0.000 1.053 382 V CA 1.348 63.650 62.300 0.003 0.000 1.068 382 V CB -0.695 31.184 31.823 0.093 0.000 0.689 382 V HN 0.539 nan 8.190 nan 0.000 0.462 383 L N 0.357 121.735 121.223 0.257 0.000 2.156 383 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 383 L C 2.701 179.704 176.870 0.221 0.000 1.095 383 L CA 1.427 56.510 54.840 0.405 0.000 0.770 383 L CB -0.807 41.492 42.059 0.399 0.000 0.914 383 L HN 0.373 nan 8.230 nan 0.000 0.439 384 A N 0.154 123.050 122.820 0.127 0.000 1.968 384 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 384 A C 2.386 179.956 177.584 -0.024 0.000 1.169 384 A CA 1.386 53.454 52.037 0.052 0.000 0.638 384 A CB -0.364 18.664 19.000 0.046 0.000 0.812 384 A HN 0.364 nan 8.150 nan 0.000 0.446 385 A N -2.351 120.414 122.820 -0.092 0.000 2.178 385 A HA 0.374 4.694 4.320 -0.000 0.000 0.211 385 A C 1.583 179.017 177.584 -0.249 0.000 1.157 385 A CA 0.457 52.372 52.037 -0.203 0.000 0.780 385 A CB -0.436 18.377 19.000 -0.311 0.000 0.828 385 A HN 0.516 nan 8.150 nan 0.000 0.476 386 F N -1.995 117.874 119.950 -0.135 0.000 2.717 386 F HA 0.331 4.858 4.527 -0.000 0.000 0.297 386 F C 1.892 177.341 175.800 -0.584 0.000 1.113 386 F CA 0.541 58.345 58.000 -0.326 0.000 1.319 386 F CB 0.929 39.725 39.000 -0.340 0.000 1.097 386 F HN 0.387 nan 8.300 nan 0.000 0.595 387 G N 0.302 108.928 108.800 -0.290 0.000 2.231 387 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.206 387 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.206 387 G C 0.203 174.978 174.900 -0.209 0.000 0.996 387 G CA -0.613 44.326 45.100 -0.268 0.000 0.645 387 G HN 0.149 nan 8.290 nan 0.000 0.498 388 F N 2.342 122.366 119.950 0.124 0.000 2.440 388 F HA 0.566 5.093 4.527 -0.000 0.000 0.323 388 F C 1.274 177.131 175.800 0.096 0.000 1.192 388 F CA 0.233 58.292 58.000 0.098 0.000 1.252 388 F CB 0.976 40.044 39.000 0.113 0.000 1.214 388 F HN 0.300 nan 8.300 nan 0.000 0.578 389 S N -0.084 115.788 115.700 0.287 0.000 2.745 389 S HA 0.622 5.092 4.470 -0.000 0.000 0.306 389 S C -0.726 173.980 174.600 0.177 0.000 1.137 389 S CA -1.020 57.290 58.200 0.182 0.000 0.900 389 S CB 1.220 64.491 63.200 0.118 0.000 1.176 389 S HN 0.469 nan 8.310 nan 0.000 0.520 390 I N 2.898 123.548 120.570 0.134 0.000 2.455 390 I HA 0.142 4.311 4.170 -0.000 0.000 0.303 390 I C 0.328 176.484 176.117 0.064 0.000 1.180 390 I CA -0.066 61.309 61.300 0.124 0.000 1.469 390 I CB -0.901 37.145 38.000 0.077 0.000 1.480 390 I HN 0.453 nan 8.210 nan 0.000 0.669 391 N N 3.005 121.744 118.700 0.064 0.000 2.604 391 N HA 0.301 5.041 4.740 -0.000 0.000 0.297 391 N C 1.110 176.589 175.510 -0.052 0.000 1.266 391 N CA -0.455 52.594 53.050 -0.001 0.000 0.961 391 N CB 0.747 39.252 38.487 0.030 0.000 1.166 391 N HN 0.254 nan 8.380 nan 0.000 0.601 392 T N 0.634 115.104 114.554 -0.140 0.000 2.915 392 T HA 0.037 4.387 4.350 -0.000 0.000 0.269 392 T C 1.899 176.479 174.700 -0.200 0.000 1.071 392 T CA 0.855 62.816 62.100 -0.231 0.000 1.132 392 T CB -0.049 68.666 68.868 -0.255 0.000 0.878 392 T HN 0.264 nan 8.240 nan 0.000 0.479 393 L N 1.025 122.176 121.223 -0.120 0.000 2.202 393 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 393 L C 2.396 179.314 176.870 0.081 0.000 1.083 393 L CA 1.018 55.738 54.840 -0.199 0.000 0.790 393 L CB -0.211 41.674 42.059 -0.290 0.000 0.942 393 L HN 0.302 nan 8.230 nan 0.000 0.452 394 T N -3.527 111.090 114.554 0.104 0.000 3.312 394 T HA 0.157 4.507 4.350 -0.000 0.000 0.251 394 T C 1.075 175.895 174.700 0.200 0.000 1.012 394 T CA -0.062 62.138 62.100 0.167 0.000 0.925 394 T CB 0.343 69.287 68.868 0.127 0.000 1.049 394 T HN -0.006 nan 8.240 nan 0.000 0.583 395 M N -0.942 118.802 119.600 0.240 0.000 2.227 395 M HA 0.435 4.914 4.480 -0.000 0.000 0.226 395 M C 1.352 177.878 176.300 0.377 0.000 1.423 395 M CA -0.010 55.446 55.300 0.260 0.000 1.055 395 M CB -0.738 31.986 32.600 0.207 0.000 1.572 395 M HN 0.338 nan 8.290 nan 0.000 0.567 396 F N 0.781 120.834 119.950 0.171 0.000 2.333 396 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 396 F C 2.178 178.208 175.800 0.384 0.000 1.083 396 F CA 0.894 59.050 58.000 0.260 0.000 1.395 396 F CB -0.093 39.108 39.000 0.335 0.000 1.056 396 F HN 0.297 nan 8.300 nan 0.000 0.529 397 G N -0.469 108.715 108.800 0.639 0.000 2.448 397 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 397 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 397 G C 1.543 176.521 174.900 0.129 0.000 1.135 397 G CA 0.296 45.604 45.100 0.347 0.000 0.784 397 G HN 0.093 nan 8.290 nan 0.000 0.543 398 M N 0.613 120.284 119.600 0.118 0.000 2.319 398 M HA 0.085 4.565 4.480 -0.000 0.000 0.265 398 M C 2.521 178.821 176.300 -0.000 0.000 1.068 398 M CA 0.556 55.864 55.300 0.014 0.000 1.118 398 M CB -0.627 31.969 32.600 -0.006 0.000 1.395 398 M HN 0.105 nan 8.290 nan 0.000 0.435 399 V N 0.080 120.002 119.914 0.013 0.000 2.407 399 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 399 V C 2.317 178.374 176.094 -0.062 0.000 1.041 399 V CA 0.964 63.224 62.300 -0.066 0.000 1.040 399 V CB -0.623 31.100 31.823 -0.166 0.000 0.671 399 V HN 0.297 nan 8.190 nan 0.000 0.455 400 L N 0.539 121.748 121.223 -0.024 0.000 2.291 400 L HA 0.111 4.451 4.340 -0.000 0.000 0.214 400 L C 2.273 179.164 176.870 0.035 0.000 1.120 400 L CA 1.818 56.656 54.840 -0.002 0.000 0.799 400 L CB -0.669 41.345 42.059 -0.076 0.000 0.925 400 L HN 0.220 nan 8.230 nan 0.000 0.446 401 A N -0.543 122.279 122.820 0.003 0.000 1.898 401 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 401 A C 2.199 179.779 177.584 -0.006 0.000 1.183 401 A CA 1.321 53.350 52.037 -0.014 0.000 0.622 401 A CB -0.648 18.327 19.000 -0.041 0.000 0.824 401 A HN 0.378 nan 8.150 nan 0.000 0.444 402 I N 0.197 120.759 120.570 -0.014 0.000 2.229 402 I HA -0.357 3.813 4.170 -0.000 0.000 0.250 402 I C 2.578 178.717 176.117 0.037 0.000 1.096 402 I CA 1.367 62.658 61.300 -0.016 0.000 1.358 402 I CB -0.421 37.549 38.000 -0.049 0.000 1.047 402 I HN 0.424 nan 8.210 nan 0.000 0.422 403 G N 0.274 109.154 108.800 0.133 0.000 2.453 403 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 403 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 403 G C 1.113 176.094 174.900 0.135 0.000 1.201 403 G CA 0.105 45.422 45.100 0.362 0.000 0.784 403 G HN 0.295 nan 8.290 nan 0.000 0.545 404 L N 0.993 122.239 121.223 0.039 0.000 2.583 404 L HA 0.482 4.822 4.340 -0.000 0.000 0.239 404 L C 0.566 177.395 176.870 -0.068 0.000 1.347 404 L CA -0.153 54.649 54.840 -0.063 0.000 1.246 404 L CB -0.002 41.983 42.059 -0.124 0.000 1.496 404 L HN 0.240 nan 8.230 nan 0.000 0.413 405 L N -0.914 120.283 121.223 -0.043 0.000 1.589 405 L HA 0.019 4.359 4.340 -0.000 0.000 0.161 405 L C 1.485 178.332 176.870 -0.038 0.000 1.300 405 L CA 0.200 55.011 54.840 -0.048 0.000 1.196 405 L CB 0.220 42.253 42.059 -0.045 0.000 2.497 405 L HN 0.078 nan 8.230 nan 0.000 0.492 406 V N -1.515 118.385 119.914 -0.024 0.000 3.041 406 V HA -0.094 4.026 4.120 -0.000 0.000 0.260 406 V C 1.796 177.870 176.094 -0.034 0.000 1.105 406 V CA 1.609 63.894 62.300 -0.025 0.000 1.125 406 V CB -0.471 31.340 31.823 -0.019 0.000 0.730 406 V HN 0.391 nan 8.190 nan 0.000 0.479 407 D N 1.065 121.443 120.400 -0.037 0.000 2.097 407 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 407 D C 1.952 178.217 176.300 -0.059 0.000 0.984 407 D CA 1.471 55.435 54.000 -0.059 0.000 0.826 407 D CB -0.190 40.561 40.800 -0.081 0.000 0.973 407 D HN 0.351 nan 8.370 nan 0.000 0.460 408 D N -0.567 119.800 120.400 -0.056 0.000 2.178 408 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 408 D C 1.771 178.053 176.300 -0.029 0.000 0.974 408 D CA 1.002 54.974 54.000 -0.048 0.000 0.841 408 D CB 0.078 40.846 40.800 -0.053 0.000 0.953 408 D HN 0.261 nan 8.370 nan 0.000 0.478 409 A N 0.458 123.261 122.820 -0.029 0.000 1.968 409 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 409 A C 2.353 179.930 177.584 -0.013 0.000 1.169 409 A CA 0.405 52.432 52.037 -0.016 0.000 0.638 409 A CB -0.477 18.512 19.000 -0.019 0.000 0.812 409 A HN 0.217 nan 8.150 nan 0.000 0.446 410 I N -0.075 120.478 120.570 -0.028 0.000 2.286 410 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 410 I C 2.191 178.302 176.117 -0.011 0.000 1.115 410 I CA 1.152 62.431 61.300 -0.034 0.000 1.392 410 I CB 0.020 37.981 38.000 -0.066 0.000 1.065 410 I HN 0.192 nan 8.210 nan 0.000 0.418 411 V N -0.256 119.656 119.914 -0.004 0.000 2.548 411 V HA -0.189 3.931 4.120 -0.000 0.000 0.249 411 V C 2.295 178.427 176.094 0.062 0.000 1.055 411 V CA 1.195 63.513 62.300 0.030 0.000 1.065 411 V CB -0.489 31.344 31.823 0.016 0.000 0.681 411 V HN 0.234 nan 8.190 nan 0.000 0.462 412 V N -0.204 119.735 119.914 0.042 0.000 2.453 412 V HA -0.157 3.962 4.120 -0.000 0.000 0.247 412 V C 2.365 178.487 176.094 0.047 0.000 1.048 412 V CA 1.666 63.995 62.300 0.048 0.000 1.049 412 V CB -0.307 31.538 31.823 0.036 0.000 0.672 412 V HN 0.413 nan 8.190 nan 0.000 0.457 413 V N 1.228 121.165 119.914 0.038 0.000 2.302 413 V HA -0.153 3.967 4.120 -0.000 0.000 0.243 413 V C 2.510 178.631 176.094 0.046 0.000 1.036 413 V CA 1.976 64.299 62.300 0.039 0.000 1.020 413 V CB -0.651 31.189 31.823 0.028 0.000 0.657 413 V HN 0.790 nan 8.190 nan 0.000 0.453 414 E N 0.711 120.939 120.200 0.046 0.000 2.285 414 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 414 E C 1.772 178.417 176.600 0.076 0.000 0.997 414 E CA 1.656 58.092 56.400 0.060 0.000 0.845 414 E CB -0.839 28.891 29.700 0.049 0.000 0.782 414 E HN 0.689 nan 8.360 nan 0.000 0.491 415 N N 0.104 118.855 118.700 0.084 0.000 2.396 415 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 415 N C 1.210 176.747 175.510 0.045 0.000 1.028 415 N CA 0.860 53.963 53.050 0.088 0.000 0.893 415 N CB 0.248 38.814 38.487 0.132 0.000 0.967 415 N HN 0.112 nan 8.380 nan 0.000 0.440 416 V N 0.714 120.654 119.914 0.044 0.000 2.379 416 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 416 V C 2.130 178.248 176.094 0.040 0.000 1.044 416 V CA 1.410 63.730 62.300 0.033 0.000 1.036 416 V CB -0.535 31.308 31.823 0.034 0.000 0.664 416 V HN 0.265 nan 8.190 nan 0.000 0.453 417 E N 1.020 121.252 120.200 0.054 0.000 2.160 417 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 417 E C 2.304 178.946 176.600 0.070 0.000 0.991 417 E CA 1.781 58.220 56.400 0.065 0.000 0.810 417 E CB -0.251 29.497 29.700 0.080 0.000 0.742 417 E HN 0.692 nan 8.360 nan 0.000 0.466 418 R N -0.657 119.884 120.500 0.069 0.000 2.075 418 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 418 R C 2.065 178.392 176.300 0.045 0.000 1.114 418 R CA 1.292 57.434 56.100 0.071 0.000 0.972 418 R CB -0.679 29.666 30.300 0.075 0.000 0.869 418 R HN 0.073 nan 8.270 nan 0.000 0.437 419 V N 1.709 121.638 119.914 0.025 0.000 2.688 419 V HA -0.121 3.999 4.120 -0.000 0.000 0.256 419 V C 1.628 177.730 176.094 0.015 0.000 1.084 419 V CA 1.508 63.814 62.300 0.009 0.000 1.103 419 V CB -0.322 31.498 31.823 -0.006 0.000 0.688 419 V HN 0.411 nan 8.190 nan 0.000 0.480 420 M N -0.963 118.652 119.600 0.026 0.000 3.029 420 M HA 0.424 4.904 4.480 -0.000 0.000 0.267 420 M C 0.607 176.924 176.300 0.028 0.000 1.270 420 M CA 0.544 55.859 55.300 0.024 0.000 1.101 420 M CB 0.350 32.966 32.600 0.028 0.000 1.266 420 M HN 0.316 nan 8.290 nan 0.000 0.503 421 A N -0.647 122.190 122.820 0.028 0.000 1.547 421 A HA 0.060 4.380 4.320 -0.000 0.000 0.206 421 A C 1.401 179.000 177.584 0.025 0.000 1.773 421 A CA -0.085 51.971 52.037 0.032 0.000 1.530 421 A CB -0.112 18.927 19.000 0.066 0.000 1.435 421 A HN 0.326 nan 8.150 nan 0.000 0.420 422 E N 0.915 121.136 120.200 0.035 0.000 2.114 422 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 422 E C 0.540 177.145 176.600 0.008 0.000 1.008 422 E CA 1.766 58.181 56.400 0.025 0.000 0.810 422 E CB 0.034 29.748 29.700 0.025 0.000 0.739 422 E HN 0.702 nan 8.360 nan 0.000 0.456 423 E N -1.230 118.973 120.200 0.005 0.000 4.230 423 E HA 0.185 4.534 4.350 -0.000 0.000 0.216 423 E C -0.303 176.295 176.600 -0.002 0.000 1.132 423 E CA -0.021 56.378 56.400 -0.002 0.000 1.404 423 E CB 0.285 29.981 29.700 -0.006 0.000 1.183 423 E HN 0.173 nan 8.360 nan 0.000 0.431 424 G N 2.240 111.040 108.800 -0.001 0.000 2.741 424 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.341 424 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.341 424 G C -0.078 174.821 174.900 -0.002 0.000 0.174 424 G CA 0.474 45.573 45.100 -0.002 0.000 1.200 424 G HN 0.493 nan 8.290 nan 0.000 0.461 425 L N 4.404 125.628 121.223 0.001 0.000 2.620 425 L HA 0.167 4.507 4.340 -0.000 0.000 0.261 425 L C -1.859 175.014 176.870 0.004 0.000 0.978 425 L CA -1.566 53.274 54.840 0.000 0.000 0.897 425 L CB 2.722 44.780 42.059 -0.002 0.000 1.207 425 L HN 0.236 nan 8.230 nan 0.000 0.425 426 P HA -0.005 nan 4.420 nan 0.000 0.221 426 P C -1.943 175.360 177.300 0.005 0.000 1.150 426 P CA 0.446 63.550 63.100 0.007 0.000 0.800 426 P CB -0.653 31.051 31.700 0.006 0.000 0.787 427 P HA 0.045 nan 4.420 nan 0.000 0.282 427 P C 0.792 178.092 177.300 -0.000 0.000 1.286 427 P CA 0.005 63.104 63.100 -0.001 0.000 0.777 427 P CB 0.928 32.625 31.700 -0.004 0.000 1.184 428 K N -0.184 120.214 120.400 -0.003 0.000 2.147 428 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 428 K C 1.829 178.429 176.600 -0.000 0.000 1.049 428 K CA 1.671 57.957 56.287 -0.002 0.000 0.936 428 K CB -0.173 32.323 32.500 -0.007 0.000 0.722 428 K HN 0.408 nan 8.250 nan 0.000 0.446 429 E N 0.618 120.817 120.200 -0.002 0.000 2.274 429 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 429 E C 1.774 178.373 176.600 -0.003 0.000 0.996 429 E CA 0.801 57.199 56.400 -0.003 0.000 0.840 429 E CB -0.042 29.655 29.700 -0.004 0.000 0.772 429 E HN 0.312 nan 8.360 nan 0.000 0.491 430 A N 0.322 123.141 122.820 -0.002 0.000 1.902 430 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 430 A C 2.265 179.850 177.584 0.000 0.000 1.181 430 A CA 1.906 53.942 52.037 -0.002 0.000 0.623 430 A CB -0.864 18.137 19.000 0.002 0.000 0.818 430 A HN 0.272 nan 8.150 nan 0.000 0.443 431 T N -0.962 113.595 114.554 0.006 0.000 2.867 431 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 431 T C 1.995 176.700 174.700 0.009 0.000 1.057 431 T CA 1.416 63.522 62.100 0.011 0.000 1.136 431 T CB -0.149 68.729 68.868 0.017 0.000 0.874 431 T HN 0.526 nan 8.240 nan 0.000 0.466 432 R N 1.164 121.667 120.500 0.004 0.000 2.062 432 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 432 R C 1.831 178.129 176.300 -0.003 0.000 1.128 432 R CA 1.147 57.250 56.100 0.004 0.000 0.960 432 R CB 0.032 30.333 30.300 0.003 0.000 0.855 432 R HN 0.135 nan 8.270 nan 0.000 0.432 433 K N -0.379 120.015 120.400 -0.010 0.000 2.487 433 K HA 0.146 4.466 4.320 -0.000 0.000 0.192 433 K C 1.596 178.175 176.600 -0.034 0.000 1.027 433 K CA 0.429 56.703 56.287 -0.021 0.000 1.054 433 K CB 0.554 33.041 32.500 -0.023 0.000 0.824 433 K HN 0.031 nan 8.250 nan 0.000 0.510 434 S N 0.624 116.308 115.700 -0.026 0.000 2.387 434 S HA -0.030 4.440 4.470 -0.000 0.000 0.226 434 S C 1.433 176.020 174.600 -0.023 0.000 1.026 434 S CA 0.936 59.116 58.200 -0.034 0.000 0.972 434 S CB -0.020 63.175 63.200 -0.009 0.000 0.814 434 S HN 0.240 nan 8.310 nan 0.000 0.477 435 M N 1.275 120.874 119.600 -0.002 0.000 2.630 435 M HA 0.139 4.619 4.480 -0.000 0.000 0.254 435 M C 2.102 178.403 176.300 0.002 0.000 1.092 435 M CA 0.312 55.620 55.300 0.012 0.000 1.087 435 M CB -1.956 30.654 32.600 0.017 0.000 1.453 435 M HN 0.359 nan 8.290 nan 0.000 0.509 436 G N 0.284 109.072 108.800 -0.019 0.000 2.422 436 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 436 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 436 G C 1.600 176.483 174.900 -0.028 0.000 1.146 436 G CA 0.421 45.505 45.100 -0.026 0.000 0.769 436 G HN 0.401 nan 8.290 nan 0.000 0.547 437 Q N -0.180 119.582 119.800 -0.064 0.000 2.163 437 Q HA 0.143 4.483 4.340 -0.000 0.000 0.198 437 Q C 2.683 178.782 176.000 0.165 0.000 0.954 437 Q CA 0.591 56.345 55.803 -0.081 0.000 0.851 437 Q CB 0.060 28.505 28.738 -0.488 0.000 0.928 437 Q HN 0.579 nan 8.270 nan 0.000 0.459 438 I N 0.556 121.216 120.570 0.151 0.000 2.429 438 I HA -0.168 4.002 4.170 -0.000 0.000 0.247 438 I C 2.634 178.821 176.117 0.116 0.000 1.099 438 I CA 0.546 61.984 61.300 0.230 0.000 1.422 438 I CB -0.376 37.727 38.000 0.171 0.000 1.112 438 I HN 0.116 nan 8.210 nan 0.000 0.430 439 Q N 1.753 121.590 119.800 0.061 0.000 2.173 439 Q HA -0.232 4.107 4.340 -0.000 0.000 0.208 439 Q C 2.142 178.143 176.000 0.002 0.000 0.989 439 Q CA 2.384 58.201 55.803 0.025 0.000 0.872 439 Q CB -0.500 28.245 28.738 0.011 0.000 0.909 439 Q HN 0.582 nan 8.270 nan 0.000 0.420 440 G N 0.328 109.127 108.800 -0.002 0.000 2.476 440 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 440 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 440 G C 1.510 176.360 174.900 -0.082 0.000 1.164 440 G CA 1.664 46.726 45.100 -0.064 0.000 0.768 440 G HN 0.557 nan 8.290 nan 0.000 0.560 441 A N 0.569 123.384 122.820 -0.008 0.000 1.841 441 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 441 A C 2.436 180.019 177.584 -0.002 0.000 1.195 441 A CA 1.358 53.398 52.037 0.005 0.000 0.611 441 A CB -0.673 18.333 19.000 0.011 0.000 0.835 441 A HN 0.327 nan 8.150 nan 0.000 0.443 442 L N -0.424 120.802 121.223 0.005 0.000 2.082 442 L HA -0.313 4.026 4.340 -0.000 0.000 0.223 442 L C 2.479 179.342 176.870 -0.012 0.000 1.086 442 L CA 1.964 56.802 54.840 -0.003 0.000 0.793 442 L CB -0.463 41.599 42.059 0.006 0.000 0.896 442 L HN 0.320 nan 8.230 nan 0.000 0.441 443 V N -1.171 118.734 119.914 -0.015 0.000 2.535 443 V HA -0.046 4.074 4.120 -0.000 0.000 0.246 443 V C 2.486 178.575 176.094 -0.008 0.000 1.045 443 V CA 1.436 63.727 62.300 -0.015 0.000 1.058 443 V CB -0.877 30.934 31.823 -0.020 0.000 0.689 443 V HN 0.550 nan 8.190 nan 0.000 0.461 444 G N 1.861 110.656 108.800 -0.008 0.000 2.459 444 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 444 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 444 G C 1.538 176.475 174.900 0.061 0.000 1.183 444 G CA 1.550 46.678 45.100 0.046 0.000 0.776 444 G HN 0.638 nan 8.290 nan 0.000 0.552 445 I N -0.035 120.555 120.570 0.033 0.000 2.264 445 I HA -0.007 4.163 4.170 -0.000 0.000 0.248 445 I C 2.966 179.065 176.117 -0.030 0.000 1.111 445 I CA 1.465 62.762 61.300 -0.005 0.000 1.382 445 I CB -0.659 37.321 38.000 -0.033 0.000 1.060 445 I HN 0.154 nan 8.210 nan 0.000 0.418 446 A N 1.449 124.251 122.820 -0.030 0.000 1.978 446 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 446 A C 2.412 179.976 177.584 -0.033 0.000 1.170 446 A CA 2.065 54.076 52.037 -0.043 0.000 0.636 446 A CB -0.547 18.434 19.000 -0.031 0.000 0.810 446 A HN 0.470 nan 8.150 nan 0.000 0.448 447 M N -0.335 119.261 119.600 -0.008 0.000 2.193 447 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 447 M C 2.197 178.501 176.300 0.006 0.000 1.071 447 M CA 1.775 57.079 55.300 0.007 0.000 1.140 447 M CB -0.962 31.653 32.600 0.025 0.000 1.369 447 M HN 0.459 nan 8.290 nan 0.000 0.423 448 V N -2.444 117.472 119.914 0.004 0.000 3.129 448 V HA -0.064 4.056 4.120 -0.000 0.000 0.259 448 V C 2.047 178.137 176.094 -0.007 0.000 1.116 448 V CA 0.800 63.101 62.300 0.002 0.000 1.127 448 V CB -1.125 30.693 31.823 -0.009 0.000 0.742 448 V HN 0.307 nan 8.190 nan 0.000 0.474 449 L N 0.849 122.045 121.223 -0.045 0.000 2.131 449 L HA -0.006 4.333 4.340 -0.000 0.000 0.206 449 L C 2.772 179.594 176.870 -0.080 0.000 1.087 449 L CA 1.699 56.479 54.840 -0.101 0.000 0.767 449 L CB -0.466 41.473 42.059 -0.200 0.000 0.917 449 L HN 0.435 nan 8.230 nan 0.000 0.441 450 S N -0.217 115.452 115.700 -0.052 0.000 2.561 450 S HA 0.047 4.517 4.470 -0.000 0.000 0.225 450 S C 1.796 176.417 174.600 0.035 0.000 0.977 450 S CA 0.668 58.864 58.200 -0.006 0.000 0.926 450 S CB 0.050 63.241 63.200 -0.015 0.000 0.769 450 S HN 0.359 nan 8.310 nan 0.000 0.533 451 A N 0.547 123.391 122.820 0.040 0.000 2.251 451 A HA 0.342 4.661 4.320 -0.000 0.000 0.209 451 A C 1.799 179.418 177.584 0.060 0.000 1.187 451 A CA 0.779 52.844 52.037 0.048 0.000 0.823 451 A CB -0.270 18.757 19.000 0.044 0.000 0.846 451 A HN 0.987 nan 8.150 nan 0.000 0.486 452 V N -6.398 113.576 119.914 0.100 0.000 3.473 452 V HA 0.332 4.452 4.120 -0.000 0.000 0.253 452 V C 1.740 177.880 176.094 0.078 0.000 1.340 452 V CA 0.299 62.656 62.300 0.095 0.000 1.103 452 V CB -0.773 31.128 31.823 0.129 0.000 0.881 452 V HN 0.137 nan 8.190 nan 0.000 0.451 453 F N 1.736 121.630 119.950 -0.093 0.000 2.123 453 F HA 0.164 4.691 4.527 -0.000 0.000 0.289 453 F C 2.396 178.103 175.800 -0.154 0.000 1.099 453 F CA 2.228 60.161 58.000 -0.112 0.000 1.234 453 F CB -0.385 38.559 39.000 -0.094 0.000 1.034 453 F HN -0.021 nan 8.300 nan 0.000 0.479 454 V N 1.259 121.192 119.914 0.031 0.000 2.358 454 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 454 V C -0.535 175.303 176.094 -0.427 0.000 1.047 454 V CA 1.697 63.900 62.300 -0.161 0.000 1.035 454 V CB -2.084 29.668 31.823 -0.119 0.000 0.658 454 V HN 0.188 nan 8.190 nan 0.000 0.452 455 P HA -0.153 nan 4.420 nan 0.000 0.219 455 P C 1.873 179.037 177.300 -0.226 0.000 1.150 455 P CA 1.319 64.258 63.100 -0.268 0.000 0.814 455 P CB -0.141 31.551 31.700 -0.013 0.000 0.787 456 M N 0.038 119.498 119.600 -0.233 0.000 2.374 456 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 456 M C 1.263 177.442 176.300 -0.202 0.000 1.067 456 M CA 1.098 56.231 55.300 -0.278 0.000 1.103 456 M CB -0.796 31.568 32.600 -0.394 0.000 1.402 456 M HN -0.162 nan 8.290 nan 0.000 0.444 457 A N -0.288 122.394 122.820 -0.229 0.000 2.503 457 A HA 0.126 4.446 4.320 -0.000 0.000 0.263 457 A C -0.199 177.351 177.584 -0.056 0.000 1.360 457 A CA -0.261 51.716 52.037 -0.100 0.000 0.969 457 A CB -1.133 17.791 19.000 -0.126 0.000 1.000 457 A HN 0.381 nan 8.150 nan 0.000 0.530 458 F N 1.227 121.206 119.950 0.048 0.000 2.899 458 F HA 0.302 4.829 4.527 -0.000 0.000 0.308 458 F C 0.598 176.268 175.800 -0.217 0.000 1.221 458 F CA -2.493 55.430 58.000 -0.129 0.000 1.265 458 F CB -1.321 37.587 39.000 -0.154 0.000 1.253 458 F HN 0.371 nan 8.300 nan 0.000 0.534 459 F N -0.452 119.589 119.950 0.151 0.000 2.357 459 F HA 0.268 4.795 4.527 -0.000 0.000 0.254 459 F C 0.614 176.472 175.800 0.097 0.000 0.844 459 F CA -0.407 57.667 58.000 0.124 0.000 1.078 459 F CB -0.253 38.811 39.000 0.107 0.000 0.879 459 F HN 0.306 nan 8.300 nan 0.000 0.653 460 G N 0.718 109.654 108.800 0.227 0.000 2.552 460 G HA2 0.645 4.605 3.960 -0.000 0.000 0.288 460 G HA3 0.645 4.605 3.960 -0.000 0.000 0.288 460 G C -0.360 174.605 174.900 0.109 0.000 1.358 460 G CA 0.150 45.307 45.100 0.095 0.000 1.305 460 G HN 2.040 nan 8.290 nan 0.000 0.602 461 G N 1.370 110.244 108.800 0.124 0.000 2.488 461 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.237 461 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.237 461 G C 1.469 176.413 174.900 0.074 0.000 1.209 461 G CA 0.673 45.819 45.100 0.077 0.000 0.929 461 G HN 1.796 nan 8.290 nan 0.000 0.578 462 S N -0.436 115.271 115.700 0.012 0.000 2.447 462 S HA 0.044 4.514 4.470 -0.000 0.000 0.233 462 S C 1.723 176.302 174.600 -0.035 0.000 1.006 462 S CA 2.188 60.378 58.200 -0.017 0.000 0.957 462 S CB -0.378 62.778 63.200 -0.072 0.000 0.773 462 S HN 1.023 nan 8.310 nan 0.000 0.507 463 T N 1.702 116.225 114.554 -0.051 0.000 3.341 463 T HA 0.333 4.683 4.350 -0.000 0.000 0.234 463 T C 1.247 175.997 174.700 0.083 0.000 0.890 463 T CA 0.170 62.255 62.100 -0.025 0.000 0.952 463 T CB 0.238 69.056 68.868 -0.084 0.000 1.146 463 T HN 0.423 nan 8.240 nan 0.000 0.591 464 G N 1.704 110.552 108.800 0.080 0.000 2.496 464 G HA2 0.063 4.023 3.960 -0.000 0.000 0.214 464 G HA3 0.063 4.023 3.960 -0.000 0.000 0.214 464 G C 1.388 176.185 174.900 -0.172 0.000 1.234 464 G CA 0.403 45.545 45.100 0.070 0.000 0.807 464 G HN 0.594 nan 8.290 nan 0.000 0.543 465 A N -0.692 122.036 122.820 -0.153 0.000 2.327 465 A HA 0.484 4.804 4.320 -0.000 0.000 0.228 465 A C 1.722 179.230 177.584 -0.126 0.000 1.275 465 A CA 0.120 52.061 52.037 -0.160 0.000 0.875 465 A CB -0.173 18.780 19.000 -0.078 0.000 0.925 465 A HN 0.269 nan 8.150 nan 0.000 0.493 466 I N -2.313 118.188 120.570 -0.114 0.000 2.681 466 I HA 0.034 4.204 4.170 -0.000 0.000 0.247 466 I C 1.774 177.804 176.117 -0.144 0.000 1.091 466 I CA 1.227 62.406 61.300 -0.201 0.000 1.442 466 I CB -0.503 37.352 38.000 -0.241 0.000 1.219 466 I HN 0.453 nan 8.210 nan 0.000 0.451 467 Y N 0.119 120.427 120.300 0.013 0.000 2.544 467 Y HA -0.008 4.542 4.550 -0.000 0.000 0.286 467 Y C 2.538 178.440 175.900 0.003 0.000 1.141 467 Y CA 0.118 58.231 58.100 0.021 0.000 1.299 467 Y CB 0.075 38.549 38.460 0.022 0.000 1.030 467 Y HN 0.085 nan 8.280 nan 0.000 0.543 468 R N 0.635 121.196 120.500 0.101 0.000 2.052 468 R HA -0.116 4.224 4.340 -0.000 0.000 0.226 468 R C 1.921 178.152 176.300 -0.115 0.000 1.145 468 R CA 1.394 57.481 56.100 -0.021 0.000 0.952 468 R CB -0.234 29.916 30.300 -0.249 0.000 0.847 468 R HN 0.252 nan 8.270 nan 0.000 0.431 469 Q N -0.565 119.130 119.800 -0.175 0.000 2.224 469 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 469 Q C 1.527 177.547 176.000 0.034 0.000 0.970 469 Q CA 1.173 56.831 55.803 -0.242 0.000 0.865 469 Q CB 0.049 28.650 28.738 -0.229 0.000 0.922 469 Q HN 0.426 nan 8.270 nan 0.000 0.445 470 F N -0.173 119.725 119.950 -0.086 0.000 2.804 470 F HA -0.033 4.493 4.527 -0.000 0.000 0.303 470 F C 1.947 177.728 175.800 -0.031 0.000 1.154 470 F CA -0.429 57.560 58.000 -0.018 0.000 1.401 470 F CB 0.519 39.526 39.000 0.011 0.000 1.106 470 F HN 0.057 nan 8.300 nan 0.000 0.568 471 S N 0.336 116.082 115.700 0.078 0.000 3.037 471 S HA -0.047 4.423 4.470 -0.000 0.000 0.173 471 S C 1.842 176.523 174.600 0.135 0.000 0.681 471 S CA 0.418 58.675 58.200 0.094 0.000 0.807 471 S CB -0.699 62.491 63.200 -0.016 0.000 0.789 471 S HN 0.253 nan 8.310 nan 0.000 0.637 472 I N 2.641 123.213 120.570 0.003 0.000 2.231 472 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 472 I C 1.971 178.085 176.117 -0.004 0.000 1.076 472 I CA 2.695 63.976 61.300 -0.032 0.000 1.347 472 I CB -1.068 36.853 38.000 -0.131 0.000 1.038 472 I HN 0.494 nan 8.210 nan 0.000 0.429 473 T N 1.138 115.659 114.554 -0.055 0.000 2.684 473 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 473 T C 1.804 176.526 174.700 0.036 0.000 1.036 473 T CA 2.384 64.486 62.100 0.003 0.000 1.148 473 T CB -0.428 68.450 68.868 0.016 0.000 0.863 473 T HN 0.477 nan 8.240 nan 0.000 0.436 474 I N 0.688 121.299 120.570 0.069 0.000 3.251 474 I HA 0.002 4.172 4.170 -0.000 0.000 0.277 474 I C 2.072 178.149 176.117 -0.068 0.000 1.268 474 I CA 0.251 61.567 61.300 0.027 0.000 1.449 474 I CB -0.105 37.978 38.000 0.138 0.000 1.083 474 I HN 0.065 nan 8.210 nan 0.000 0.464 475 V N 0.702 120.616 119.914 -0.000 0.000 2.548 475 V HA -0.194 3.926 4.120 -0.000 0.000 0.249 475 V C 2.618 178.702 176.094 -0.017 0.000 1.055 475 V CA 2.030 64.302 62.300 -0.046 0.000 1.065 475 V CB -0.505 31.335 31.823 0.028 0.000 0.681 475 V HN 0.596 nan 8.190 nan 0.000 0.462 476 S N 1.236 116.957 115.700 0.036 0.000 2.406 476 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 476 S C 2.057 176.651 174.600 -0.010 0.000 1.020 476 S CA 1.125 59.358 58.200 0.054 0.000 0.965 476 S CB -0.393 62.877 63.200 0.117 0.000 0.798 476 S HN 0.524 nan 8.310 nan 0.000 0.488 477 A N 2.342 125.136 122.820 -0.044 0.000 2.015 477 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 477 A C 2.296 179.822 177.584 -0.097 0.000 1.163 477 A CA 1.370 53.361 52.037 -0.078 0.000 0.646 477 A CB -0.747 18.200 19.000 -0.089 0.000 0.806 477 A HN 0.804 nan 8.150 nan 0.000 0.448 478 M N -1.216 118.309 119.600 -0.125 0.000 2.193 478 M HA 0.171 4.651 4.480 -0.000 0.000 0.265 478 M C 2.005 178.248 176.300 -0.095 0.000 1.071 478 M CA 1.685 56.895 55.300 -0.151 0.000 1.140 478 M CB -0.180 32.275 32.600 -0.242 0.000 1.369 478 M HN 0.183 nan 8.290 nan 0.000 0.423 479 A N 0.615 123.397 122.820 -0.063 0.000 2.067 479 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 479 A C 1.984 179.553 177.584 -0.025 0.000 1.156 479 A CA 0.734 52.751 52.037 -0.033 0.000 0.683 479 A CB -0.667 18.330 19.000 -0.005 0.000 0.808 479 A HN 0.605 nan 8.150 nan 0.000 0.455 480 L N -0.019 121.185 121.223 -0.031 0.000 2.446 480 L HA -0.035 4.305 4.340 -0.000 0.000 0.219 480 L C 2.634 179.480 176.870 -0.039 0.000 1.116 480 L CA 1.054 55.876 54.840 -0.030 0.000 0.844 480 L CB -0.007 42.033 42.059 -0.033 0.000 0.970 480 L HN 0.537 nan 8.230 nan 0.000 0.457 481 S N -1.535 114.135 115.700 -0.051 0.000 2.470 481 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 481 S C 1.707 176.283 174.600 -0.041 0.000 1.006 481 S CA 0.328 58.497 58.200 -0.051 0.000 0.934 481 S CB -0.117 63.043 63.200 -0.066 0.000 0.778 481 S HN 0.126 nan 8.310 nan 0.000 0.517 482 V N 1.463 121.353 119.914 -0.039 0.000 2.649 482 V HA 0.141 4.261 4.120 -0.000 0.000 0.248 482 V C 2.290 178.375 176.094 -0.014 0.000 1.054 482 V CA 1.077 63.360 62.300 -0.028 0.000 1.073 482 V CB -0.574 31.231 31.823 -0.030 0.000 0.699 482 V HN 0.437 nan 8.190 nan 0.000 0.463 483 L N -0.744 120.471 121.223 -0.014 0.000 2.240 483 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 483 L C 2.123 178.991 176.870 -0.003 0.000 1.106 483 L CA 0.731 55.568 54.840 -0.004 0.000 0.793 483 L CB -0.130 41.926 42.059 -0.005 0.000 0.927 483 L HN 0.169 nan 8.230 nan 0.000 0.446 484 V N -0.807 119.098 119.914 -0.014 0.000 3.406 484 V HA 0.052 4.172 4.120 -0.000 0.000 0.263 484 V C 2.120 178.212 176.094 -0.004 0.000 1.172 484 V CA 1.155 63.445 62.300 -0.015 0.000 1.140 484 V CB 0.315 32.117 31.823 -0.035 0.000 0.784 484 V HN 0.398 nan 8.190 nan 0.000 0.467 485 A N -1.125 121.693 122.820 -0.003 0.000 2.169 485 A HA 0.241 4.561 4.320 -0.000 0.000 0.210 485 A C 1.923 179.516 177.584 0.016 0.000 1.168 485 A CA 0.484 52.524 52.037 0.005 0.000 0.813 485 A CB 0.025 19.022 19.000 -0.004 0.000 0.861 485 A HN 0.446 nan 8.150 nan 0.000 0.481 486 L N -0.552 120.680 121.223 0.016 0.000 2.408 486 L HA 0.357 4.697 4.340 -0.000 0.000 0.215 486 L C -0.252 176.639 176.870 0.035 0.000 1.081 486 L CA 0.487 55.340 54.840 0.022 0.000 0.840 486 L CB 0.296 42.365 42.059 0.016 0.000 1.002 486 L HN 0.252 nan 8.230 nan 0.000 0.468 487 I N -1.149 119.443 120.570 0.037 0.000 2.569 487 I HA 0.232 4.402 4.170 -0.000 0.000 0.296 487 I C 0.457 176.612 176.117 0.062 0.000 1.028 487 I CA -0.655 60.678 61.300 0.056 0.000 1.082 487 I CB 2.132 40.164 38.000 0.055 0.000 1.264 487 I HN -0.028 nan 8.210 nan 0.000 0.429 488 L N 2.863 124.147 121.223 0.101 0.000 2.700 488 L HA -0.312 4.028 4.340 -0.000 0.000 0.417 488 L C 1.312 178.261 176.870 0.132 0.000 0.711 488 L CA 2.693 57.615 54.840 0.137 0.000 3.266 488 L CB -1.737 40.356 42.059 0.056 0.000 0.570 488 L HN 0.750 nan 8.230 nan 0.000 0.784 489 T N 0.562 115.163 114.554 0.078 0.000 2.777 489 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 489 T C -0.706 174.038 174.700 0.073 0.000 1.040 489 T CA 1.850 63.992 62.100 0.071 0.000 1.141 489 T CB -0.880 68.012 68.868 0.040 0.000 0.868 489 T HN 0.512 nan 8.240 nan 0.000 0.444 490 P HA -0.011 nan 4.420 nan 0.000 0.216 490 P C 1.492 178.830 177.300 0.065 0.000 1.150 490 P CA 1.167 64.302 63.100 0.058 0.000 0.837 490 P CB -0.188 31.543 31.700 0.051 0.000 0.786 491 A N -0.609 122.265 122.820 0.090 0.000 1.858 491 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 491 A C 2.181 179.811 177.584 0.077 0.000 1.190 491 A CA 1.508 53.599 52.037 0.088 0.000 0.617 491 A CB -1.638 17.448 19.000 0.144 0.000 0.827 491 A HN 0.190 nan 8.150 nan 0.000 0.443 492 L N -0.923 120.382 121.223 0.137 0.000 2.395 492 L HA -0.081 4.258 4.340 -0.000 0.000 0.218 492 L C 2.283 179.201 176.870 0.079 0.000 1.130 492 L CA 0.990 55.905 54.840 0.126 0.000 0.826 492 L CB -0.230 41.985 42.059 0.260 0.000 0.941 492 L HN 0.489 nan 8.230 nan 0.000 0.451 493 C N -0.932 118.411 119.300 0.071 0.000 2.440 493 C HA -0.043 4.417 4.460 -0.000 0.000 0.278 493 C C 2.933 177.944 174.990 0.034 0.000 1.295 493 C CA 0.780 59.830 59.018 0.053 0.000 1.738 493 C CB -1.061 26.709 27.740 0.049 0.000 1.987 493 C HN 0.702 nan 8.230 nan 0.000 0.492 494 A N -0.245 122.590 122.820 0.026 0.000 1.898 494 A HA -0.070 4.249 4.320 -0.000 0.000 0.214 494 A C 2.178 179.759 177.584 -0.005 0.000 1.183 494 A CA 2.060 54.102 52.037 0.009 0.000 0.622 494 A CB -0.985 18.018 19.000 0.005 0.000 0.824 494 A HN 0.516 nan 8.150 nan 0.000 0.444 495 T N -0.870 113.675 114.554 -0.015 0.000 2.684 495 T HA 0.003 4.352 4.350 -0.000 0.000 0.267 495 T C 0.724 175.406 174.700 -0.030 0.000 1.036 495 T CA 1.645 63.718 62.100 -0.044 0.000 1.148 495 T CB -0.136 68.680 68.868 -0.086 0.000 0.863 495 T HN 0.373 nan 8.240 nan 0.000 0.436 496 M N 0.083 119.680 119.600 -0.005 0.000 2.274 496 M HA 0.387 4.867 4.480 -0.000 0.000 0.272 496 M C -1.631 174.691 176.300 0.037 0.000 1.053 496 M CA -0.404 54.903 55.300 0.011 0.000 0.978 496 M CB 2.023 34.627 32.600 0.006 0.000 1.836 496 M HN 0.164 nan 8.290 nan 0.000 0.484 497 L N 3.705 124.952 121.223 0.040 0.000 1.998 497 L HA 0.462 4.802 4.340 -0.000 0.000 0.194 497 L C -0.386 176.517 176.870 0.056 0.000 1.198 497 L CA 1.204 56.075 54.840 0.052 0.000 1.134 497 L CB -0.014 42.072 42.059 0.045 0.000 2.366 497 L HN 0.733 nan 8.230 nan 0.000 0.504 514 G N -0.453 108.382 108.800 0.058 0.000 2.920 514 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.208 514 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.208 514 G C 0.330 175.383 174.900 0.255 0.000 1.159 514 G CA 0.071 45.254 45.100 0.138 0.000 0.784 514 G HN 0.506 nan 8.290 nan 0.000 0.535 515 W N 0.241 121.591 121.300 0.083 0.000 2.453 515 W HA 0.256 4.915 4.660 -0.000 0.000 0.289 515 W C 1.786 178.165 176.519 -0.234 0.000 1.215 515 W CA -0.230 57.024 57.345 -0.152 0.000 1.297 515 W CB -1.136 28.122 29.460 -0.336 0.000 1.113 515 W HN 0.221 nan 8.180 nan 0.000 0.551 516 F N 1.384 121.460 119.950 0.210 0.000 2.206 516 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 516 F C 2.061 177.981 175.800 0.200 0.000 1.090 516 F CA 1.145 59.228 58.000 0.138 0.000 1.323 516 F CB -0.943 38.170 39.000 0.189 0.000 1.028 516 F HN -0.197 nan 8.300 nan 0.000 0.492 517 N N 0.273 119.186 118.700 0.355 0.000 2.289 517 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 517 N C 1.762 177.384 175.510 0.187 0.000 1.016 517 N CA 0.930 54.132 53.050 0.255 0.000 0.872 517 N CB -0.313 38.275 38.487 0.169 0.000 0.973 517 N HN 0.285 nan 8.380 nan 0.000 0.433 518 R N -0.239 120.344 120.500 0.139 0.000 2.075 518 R HA 0.157 4.496 4.340 -0.000 0.000 0.226 518 R C 2.112 178.418 176.300 0.010 0.000 1.114 518 R CA 0.576 56.721 56.100 0.076 0.000 0.972 518 R CB -0.156 30.175 30.300 0.052 0.000 0.869 518 R HN 0.139 nan 8.270 nan 0.000 0.437 519 M N -0.184 119.366 119.600 -0.082 0.000 2.213 519 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 519 M C 1.299 177.475 176.300 -0.207 0.000 1.062 519 M CA 1.723 56.881 55.300 -0.237 0.000 1.105 519 M CB -0.104 32.222 32.600 -0.456 0.000 1.385 519 M HN 0.139 nan 8.290 nan 0.000 0.417 520 F N -0.094 119.847 119.950 -0.015 0.000 2.416 520 F HA -0.105 4.422 4.527 -0.000 0.000 0.296 520 F C 2.437 178.191 175.800 -0.078 0.000 1.099 520 F CA 0.756 58.742 58.000 -0.024 0.000 1.427 520 F CB -0.043 38.956 39.000 -0.002 0.000 1.079 520 F HN 0.260 nan 8.300 nan 0.000 0.536 521 E N 0.727 120.986 120.200 0.098 0.000 2.016 521 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 521 E C 2.009 178.696 176.600 0.145 0.000 0.985 521 E CA 1.116 57.503 56.400 -0.022 0.000 0.802 521 E CB 0.121 29.874 29.700 0.089 0.000 0.762 521 E HN 0.148 nan 8.360 nan 0.000 0.448 522 K N 0.289 120.804 120.400 0.192 0.000 2.063 522 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 522 K C 2.278 178.978 176.600 0.168 0.000 1.048 522 K CA 1.460 57.849 56.287 0.170 0.000 0.928 522 K CB -0.394 32.097 32.500 -0.015 0.000 0.713 522 K HN -0.029 nan 8.250 nan 0.000 0.442 523 S N -0.535 115.199 115.700 0.056 0.000 2.368 523 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 523 S C 1.696 176.398 174.600 0.171 0.000 1.029 523 S CA 1.751 59.963 58.200 0.021 0.000 0.988 523 S CB -0.229 62.926 63.200 -0.076 0.000 0.838 523 S HN 0.363 nan 8.310 nan 0.000 0.462 524 T N 0.291 114.936 114.554 0.152 0.000 3.054 524 T HA 0.193 4.543 4.350 -0.000 0.000 0.259 524 T C 1.073 175.901 174.700 0.215 0.000 1.092 524 T CA 0.455 62.647 62.100 0.153 0.000 1.121 524 T CB -0.135 68.784 68.868 0.084 0.000 0.912 524 T HN 0.536 nan 8.240 nan 0.000 0.489 525 H N -0.332 118.848 119.070 0.184 0.000 2.935 525 H HA 0.108 4.664 4.556 -0.000 0.000 0.326 525 H C 1.579 177.001 175.328 0.156 0.000 1.164 525 H CA 0.337 56.439 56.048 0.091 0.000 1.661 525 H CB 0.283 29.930 29.762 -0.192 0.000 1.650 525 H HN 0.152 nan 8.280 nan 0.000 0.801 526 H N -3.191 116.011 119.070 0.219 0.000 4.666 526 H HA -0.239 4.317 4.556 -0.000 0.000 0.078 526 H C 1.111 176.579 175.328 0.233 0.000 0.622 526 H CA 1.667 57.850 56.048 0.225 0.000 0.928 526 H CB -1.453 28.468 29.762 0.265 0.000 0.410 526 H HN 0.504 nan 8.280 nan 0.000 0.808 527 Y N 0.913 121.375 120.300 0.269 0.000 2.351 527 Y HA 0.168 4.718 4.550 -0.000 0.000 0.291 527 Y C 2.415 178.428 175.900 0.189 0.000 1.153 527 Y CA 1.843 60.082 58.100 0.233 0.000 1.193 527 Y CB 0.005 38.555 38.460 0.150 0.000 1.187 527 Y HN 0.238 nan 8.280 nan 0.000 0.524 528 T N 0.661 115.405 114.554 0.318 0.000 2.915 528 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 528 T C 0.948 175.641 174.700 -0.013 0.000 1.071 528 T CA 1.616 63.798 62.100 0.136 0.000 1.132 528 T CB -0.205 68.796 68.868 0.221 0.000 0.878 528 T HN 0.370 nan 8.240 nan 0.000 0.479 529 D N 1.162 121.583 120.400 0.036 0.000 2.213 529 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 529 D C 2.391 178.652 176.300 -0.065 0.000 0.961 529 D CA 0.934 54.929 54.000 -0.009 0.000 0.853 529 D CB -0.262 40.555 40.800 0.029 0.000 0.967 529 D HN 0.497 nan 8.370 nan 0.000 0.496 530 S N -0.167 115.495 115.700 -0.063 0.000 2.522 530 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 530 S C 1.954 176.339 174.600 -0.359 0.000 0.986 530 S CA 0.218 58.331 58.200 -0.145 0.000 0.929 530 S CB -0.106 63.072 63.200 -0.038 0.000 0.769 530 S HN 0.010 nan 8.310 nan 0.000 0.529 531 V N 1.789 121.456 119.914 -0.411 0.000 2.649 531 V HA 0.107 4.227 4.120 -0.000 0.000 0.248 531 V C 2.778 178.624 176.094 -0.415 0.000 1.054 531 V CA 1.474 63.447 62.300 -0.546 0.000 1.073 531 V CB -1.247 30.188 31.823 -0.645 0.000 0.699 531 V HN 0.636 nan 8.190 nan 0.000 0.463 532 G N 0.235 108.868 108.800 -0.280 0.000 2.443 532 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 532 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 532 G C 1.567 176.358 174.900 -0.182 0.000 1.131 532 G CA 0.885 45.857 45.100 -0.214 0.000 0.775 532 G HN 0.560 nan 8.290 nan 0.000 0.547 533 G N 1.593 110.294 108.800 -0.165 0.000 2.394 533 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 533 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 533 G C 1.836 176.689 174.900 -0.079 0.000 1.165 533 G CA 0.949 45.991 45.100 -0.098 0.000 0.784 533 G HN 0.621 nan 8.290 nan 0.000 0.535 534 I N -1.766 118.697 120.570 -0.179 0.000 2.394 534 I HA 0.090 4.260 4.170 -0.000 0.000 0.251 534 I C 2.423 178.390 176.117 -0.250 0.000 1.136 534 I CA 0.907 62.123 61.300 -0.139 0.000 1.425 534 I CB -0.211 37.576 38.000 -0.355 0.000 1.079 534 I HN 0.037 nan 8.210 nan 0.000 0.425 535 L N 0.525 121.512 121.223 -0.394 0.000 2.240 535 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 535 L C 2.829 179.550 176.870 -0.248 0.000 1.106 535 L CA 0.958 55.520 54.840 -0.463 0.000 0.793 535 L CB -0.318 41.486 42.059 -0.425 0.000 0.927 535 L HN 0.136 nan 8.230 nan 0.000 0.446 536 R N -0.275 120.139 120.500 -0.144 0.000 2.066 536 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 536 R C 1.353 177.649 176.300 -0.008 0.000 1.131 536 R CA 1.150 57.208 56.100 -0.071 0.000 0.955 536 R CB -0.370 29.904 30.300 -0.045 0.000 0.851 536 R HN 0.395 nan 8.270 nan 0.000 0.432 537 S N -1.373 114.368 115.700 0.068 0.000 2.634 537 S HA 0.242 4.711 4.470 -0.000 0.000 0.261 537 S C 0.583 175.331 174.600 0.247 0.000 1.271 537 S CA -0.182 58.120 58.200 0.169 0.000 0.985 537 S CB 1.929 65.294 63.200 0.275 0.000 0.968 537 S HN 0.145 nan 8.310 nan 0.000 0.568 538 T N -0.764 113.974 114.554 0.307 0.000 3.878 538 T HA 0.220 4.569 4.350 -0.000 0.000 0.313 538 T C 1.642 176.510 174.700 0.280 0.000 0.917 538 T CA 0.096 62.426 62.100 0.384 0.000 1.190 538 T CB -1.198 67.790 68.868 0.201 0.000 1.068 538 T HN 0.710 nan 8.240 nan 0.000 0.494 539 G N 1.249 110.140 108.800 0.152 0.000 2.443 539 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 539 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 539 G C 1.410 176.334 174.900 0.040 0.000 1.131 539 G CA 1.060 46.211 45.100 0.085 0.000 0.775 539 G HN 0.395 nan 8.290 nan 0.000 0.547 540 R N -0.999 119.502 120.500 0.002 0.000 2.075 540 R HA 0.051 4.391 4.340 -0.000 0.000 0.226 540 R C 2.002 178.189 176.300 -0.187 0.000 1.114 540 R CA 0.716 56.734 56.100 -0.137 0.000 0.972 540 R CB -0.253 29.886 30.300 -0.268 0.000 0.869 540 R HN 0.463 nan 8.270 nan 0.000 0.437 541 Y N 0.013 120.296 120.300 -0.027 0.000 2.561 541 Y HA -0.068 4.481 4.550 -0.000 0.000 0.291 541 Y C 1.889 177.665 175.900 -0.206 0.000 1.141 541 Y CA 0.339 58.322 58.100 -0.194 0.000 1.303 541 Y CB 0.216 38.370 38.460 -0.510 0.000 1.015 541 Y HN 0.145 nan 8.280 nan 0.000 0.547 542 L N -1.244 120.007 121.223 0.046 0.000 2.162 542 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 542 L C 1.867 178.806 176.870 0.115 0.000 1.086 542 L CA 0.863 55.752 54.840 0.082 0.000 0.778 542 L CB -0.236 41.882 42.059 0.098 0.000 0.928 542 L HN -0.061 nan 8.230 nan 0.000 0.446 543 V N -0.080 119.864 119.914 0.049 0.000 2.759 543 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 543 V C 2.287 178.378 176.094 -0.004 0.000 1.080 543 V CA 1.461 63.772 62.300 0.018 0.000 1.101 543 V CB -0.172 31.643 31.823 -0.013 0.000 0.698 543 V HN 0.423 nan 8.190 nan 0.000 0.477 544 L N -0.892 120.329 121.223 -0.004 0.000 2.179 544 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 544 L C 2.249 179.131 176.870 0.019 0.000 1.096 544 L CA 1.609 56.439 54.840 -0.017 0.000 0.779 544 L CB -0.526 41.519 42.059 -0.024 0.000 0.922 544 L HN 0.485 nan 8.230 nan 0.000 0.443 545 Y N -0.717 119.552 120.300 -0.052 0.000 2.293 545 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 545 Y C 1.967 177.848 175.900 -0.031 0.000 1.137 545 Y CA 1.641 59.716 58.100 -0.042 0.000 1.202 545 Y CB -0.102 38.331 38.460 -0.045 0.000 0.990 545 Y HN 0.137 nan 8.280 nan 0.000 0.537 546 L N -0.251 120.896 121.223 -0.128 0.000 2.156 546 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 546 L C 2.394 179.158 176.870 -0.178 0.000 1.095 546 L CA 0.934 55.655 54.840 -0.199 0.000 0.770 546 L CB -0.310 41.725 42.059 -0.039 0.000 0.914 546 L HN 0.302 nan 8.230 nan 0.000 0.439 547 I N -0.424 120.073 120.570 -0.122 0.000 2.546 547 I HA -0.242 3.928 4.170 -0.000 0.000 0.255 547 I C 2.180 178.229 176.117 -0.113 0.000 1.163 547 I CA 1.042 62.281 61.300 -0.101 0.000 1.457 547 I CB 0.227 38.181 38.000 -0.077 0.000 1.092 547 I HN 0.192 nan 8.210 nan 0.000 0.434 548 I N -0.540 119.941 120.570 -0.149 0.000 2.439 548 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 548 I C 2.206 178.226 176.117 -0.162 0.000 1.139 548 I CA 0.808 62.027 61.300 -0.136 0.000 1.438 548 I CB -0.049 37.876 38.000 -0.125 0.000 1.085 548 I HN -0.026 nan 8.210 nan 0.000 0.427 549 V N -0.020 119.737 119.914 -0.261 0.000 2.667 549 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 549 V C 2.317 178.339 176.094 -0.120 0.000 1.065 549 V CA 1.001 63.164 62.300 -0.227 0.000 1.083 549 V CB -0.039 31.587 31.823 -0.327 0.000 0.692 549 V HN 0.223 nan 8.190 nan 0.000 0.468 550 V N 1.088 120.941 119.914 -0.102 0.000 2.358 550 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 550 V C 2.550 178.645 176.094 0.001 0.000 1.047 550 V CA 2.208 64.476 62.300 -0.053 0.000 1.035 550 V CB -1.133 30.649 31.823 -0.068 0.000 0.658 550 V HN 0.604 nan 8.190 nan 0.000 0.452 551 G N -1.626 107.175 108.800 0.001 0.000 2.572 551 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 551 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 551 G C 1.529 176.493 174.900 0.107 0.000 1.133 551 G CA 0.432 45.578 45.100 0.077 0.000 0.791 551 G HN 0.367 nan 8.290 nan 0.000 0.538 552 M N 0.668 120.292 119.600 0.039 0.000 2.236 552 M HA 0.142 4.622 4.480 -0.000 0.000 0.266 552 M C 2.672 179.012 176.300 0.066 0.000 1.070 552 M CA 1.281 56.601 55.300 0.035 0.000 1.137 552 M CB -0.017 32.559 32.600 -0.041 0.000 1.378 552 M HN 0.288 nan 8.290 nan 0.000 0.426 553 A N -0.951 121.904 122.820 0.057 0.000 1.970 553 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 553 A C 1.834 179.532 177.584 0.190 0.000 1.170 553 A CA 0.925 53.015 52.037 0.088 0.000 0.645 553 A CB -0.955 18.071 19.000 0.044 0.000 0.816 553 A HN 0.646 nan 8.150 nan 0.000 0.447 554 Y N 0.283 120.617 120.300 0.058 0.000 2.314 554 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 554 Y C 1.605 177.552 175.900 0.079 0.000 1.129 554 Y CA 1.217 59.351 58.100 0.058 0.000 1.201 554 Y CB -0.055 38.422 38.460 0.027 0.000 0.999 554 Y HN 0.183 nan 8.280 nan 0.000 0.541 555 L N -0.754 120.506 121.223 0.062 0.000 2.591 555 L HA -0.031 4.309 4.340 -0.000 0.000 0.228 555 L C 1.363 178.276 176.870 0.072 0.000 1.133 555 L CA 0.387 55.226 54.840 -0.001 0.000 0.880 555 L CB -0.337 41.776 42.059 0.091 0.000 1.033 555 L HN 0.289 nan 8.230 nan 0.000 0.450 556 F N -0.900 119.026 119.950 -0.040 0.000 2.490 556 F HA 0.041 4.568 4.527 -0.000 0.000 0.280 556 F C 1.965 177.752 175.800 -0.022 0.000 1.030 556 F CA 0.582 58.582 58.000 0.000 0.000 1.367 556 F CB 0.176 39.182 39.000 0.011 0.000 1.131 556 F HN -0.277 nan 8.300 nan 0.000 0.632 557 V N 0.712 120.670 119.914 0.074 0.000 2.453 557 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 557 V C 2.357 178.372 176.094 -0.132 0.000 1.048 557 V CA 1.633 63.918 62.300 -0.025 0.000 1.049 557 V CB -0.610 31.259 31.823 0.077 0.000 0.672 557 V HN 0.139 nan 8.190 nan 0.000 0.457 558 R N -0.160 120.225 120.500 -0.191 0.000 2.148 558 R HA 0.083 4.423 4.340 -0.000 0.000 0.223 558 R C 0.767 176.952 176.300 -0.192 0.000 1.088 558 R CA 0.235 56.197 56.100 -0.229 0.000 0.985 558 R CB -0.860 29.192 30.300 -0.413 0.000 0.880 558 R HN 0.425 nan 8.270 nan 0.000 0.451 559 L N 3.276 124.380 121.223 -0.199 0.000 2.500 559 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 559 L C -2.082 174.672 176.870 -0.194 0.000 1.149 559 L CA -1.488 53.240 54.840 -0.186 0.000 0.897 559 L CB 0.340 42.291 42.059 -0.181 0.000 1.178 559 L HN 0.052 nan 8.230 nan 0.000 0.473 560 P HA 0.133 nan 4.420 nan 0.000 0.277 560 P C -1.296 175.948 177.300 -0.094 0.000 1.276 560 P CA -0.615 62.419 63.100 -0.109 0.000 0.788 560 P CB 0.880 32.532 31.700 -0.079 0.000 1.114 561 S N -0.522 115.146 115.700 -0.052 0.000 2.659 561 S HA 0.513 4.983 4.470 -0.000 0.000 0.312 561 S C -0.404 174.213 174.600 0.029 0.000 1.114 561 S CA -0.403 57.792 58.200 -0.009 0.000 1.063 561 S CB 0.027 63.225 63.200 -0.004 0.000 0.996 561 S HN 0.375 nan 8.310 nan 0.000 0.478 562 S N 2.980 118.713 115.700 0.055 0.000 2.786 562 S HA 0.636 5.106 4.470 -0.000 0.000 0.307 562 S C -0.085 174.614 174.600 0.166 0.000 1.121 562 S CA -0.572 57.680 58.200 0.086 0.000 0.975 562 S CB 1.028 64.259 63.200 0.052 0.000 1.220 562 S HN 0.787 nan 8.310 nan 0.000 0.550 563 F N 0.208 120.150 119.950 -0.013 0.000 2.480 563 F HA 0.617 5.144 4.527 -0.000 0.000 0.280 563 F C -0.389 175.361 175.800 -0.083 0.000 1.002 563 F CA 0.123 58.094 58.000 -0.048 0.000 1.325 563 F CB 0.064 39.025 39.000 -0.066 0.000 1.134 563 F HN 0.365 nan 8.300 nan 0.000 0.646 564 L N 2.028 123.021 121.223 -0.383 0.000 2.526 564 L HA 0.480 4.820 4.340 -0.000 0.000 0.263 564 L C -2.673 174.119 176.870 -0.131 0.000 0.943 564 L CA -1.936 52.635 54.840 -0.449 0.000 0.859 564 L CB 1.608 43.161 42.059 -0.844 0.000 1.313 564 L HN -0.093 nan 8.230 nan 0.000 0.406 565 P HA 0.161 nan 4.420 nan 0.000 0.268 565 P C -1.186 176.135 177.300 0.034 0.000 1.204 565 P CA -0.156 62.970 63.100 0.043 0.000 0.768 565 P CB 0.498 32.256 31.700 0.097 0.000 0.842 566 D N 2.173 122.590 120.400 0.028 0.000 2.339 566 D HA 0.117 4.757 4.640 -0.000 0.000 0.256 566 D C 0.522 176.850 176.300 0.046 0.000 1.214 566 D CA 0.240 54.258 54.000 0.031 0.000 0.877 566 D CB 0.512 41.329 40.800 0.027 0.000 1.111 566 D HN 0.254 nan 8.370 nan 0.000 0.478 567 E N 1.186 121.423 120.200 0.061 0.000 2.250 567 E HA 0.146 4.495 4.350 -0.000 0.000 0.265 567 E C -0.351 176.296 176.600 0.079 0.000 1.033 567 E CA -0.733 55.722 56.400 0.092 0.000 0.888 567 E CB 1.188 30.985 29.700 0.163 0.000 1.151 567 E HN 0.341 nan 8.360 nan 0.000 0.412 568 D N 1.216 121.703 120.400 0.145 0.000 2.339 568 D HA -0.008 4.632 4.640 -0.000 0.000 0.256 568 D C 0.091 176.570 176.300 0.298 0.000 1.214 568 D CA 0.465 54.592 54.000 0.212 0.000 0.877 568 D CB 0.789 41.785 40.800 0.327 0.000 1.111 568 D HN 0.326 nan 8.370 nan 0.000 0.478 569 Q N 1.733 121.563 119.800 0.050 0.000 2.319 569 Q HA 0.197 4.537 4.340 -0.000 0.000 0.209 569 Q C 1.211 177.132 176.000 -0.132 0.000 0.884 569 Q CA 0.337 56.017 55.803 -0.205 0.000 0.938 569 Q CB 0.621 29.112 28.738 -0.412 0.000 1.098 569 Q HN 0.801 nan 8.270 nan 0.000 0.517 570 G N 0.288 108.945 108.800 -0.239 0.000 2.148 570 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 570 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 570 G C -0.172 174.565 174.900 -0.271 0.000 0.981 570 G CA 0.355 45.160 45.100 -0.491 0.000 0.670 570 G HN 0.231 nan 8.290 nan 0.000 0.528 571 V N 0.437 120.244 119.914 -0.179 0.000 2.697 571 V HA 0.647 4.767 4.120 -0.000 0.000 0.296 571 V C -0.267 175.775 176.094 -0.087 0.000 1.140 571 V CA -0.353 61.817 62.300 -0.217 0.000 0.921 571 V CB 1.431 32.967 31.823 -0.477 0.000 1.036 571 V HN 0.996 nan 8.190 nan 0.000 0.438 572 F N 4.387 124.231 119.950 -0.177 0.000 2.849 572 F HA 0.976 5.503 4.527 -0.000 0.000 0.341 572 F C -0.622 175.167 175.800 -0.018 0.000 1.185 572 F CA -1.156 56.773 58.000 -0.118 0.000 1.007 572 F CB 2.053 40.964 39.000 -0.149 0.000 1.454 572 F HN 0.505 nan 8.300 nan 0.000 0.518 573 M N 0.613 120.085 119.600 -0.213 0.000 2.721 573 M HA 0.610 5.090 4.480 -0.000 0.000 0.271 573 M C -1.840 174.274 176.300 -0.311 0.000 1.259 573 M CA -0.541 54.618 55.300 -0.235 0.000 0.835 573 M CB 2.039 34.712 32.600 0.123 0.000 1.689 573 M HN 0.831 nan 8.290 nan 0.000 0.470 574 T N 2.141 116.674 114.554 -0.036 0.000 3.143 574 T HA 0.612 4.962 4.350 -0.000 0.000 0.312 574 T C -0.825 173.986 174.700 0.185 0.000 0.986 574 T CA -0.745 61.431 62.100 0.126 0.000 1.024 574 T CB 0.920 69.964 68.868 0.293 0.000 1.030 574 T HN 0.861 nan 8.240 nan 0.000 0.448 575 M N 3.885 123.672 119.600 0.312 0.000 2.342 575 M HA 0.868 5.348 4.480 -0.000 0.000 0.332 575 M C -1.106 175.204 176.300 0.017 0.000 1.166 575 M CA -0.647 54.773 55.300 0.200 0.000 1.086 575 M CB 1.446 34.237 32.600 0.319 0.000 1.541 575 M HN 0.250 nan 8.290 nan 0.000 0.462 576 V N 1.352 121.244 119.914 -0.036 0.000 2.815 576 V HA 0.678 4.798 4.120 -0.000 0.000 0.314 576 V C -0.852 175.186 176.094 -0.094 0.000 1.064 576 V CA -0.529 61.706 62.300 -0.107 0.000 0.952 576 V CB 1.633 33.398 31.823 -0.096 0.000 1.020 576 V HN 0.944 nan 8.190 nan 0.000 0.439 577 Q N 2.505 122.233 119.800 -0.119 0.000 2.331 577 Q HA 0.493 4.833 4.340 -0.000 0.000 0.249 577 Q C -2.218 173.747 176.000 -0.058 0.000 0.913 577 Q CA -0.230 55.531 55.803 -0.070 0.000 0.874 577 Q CB 1.444 30.139 28.738 -0.071 0.000 1.384 577 Q HN 0.630 nan 8.270 nan 0.000 0.427 578 L N 5.003 126.208 121.223 -0.029 0.000 2.352 578 L HA 0.693 5.033 4.340 -0.000 0.000 0.269 578 L C -1.760 175.110 176.870 0.001 0.000 1.034 578 L CA -1.724 53.103 54.840 -0.022 0.000 0.806 578 L CB 1.055 43.102 42.059 -0.020 0.000 1.244 578 L HN 0.693 nan 8.230 nan 0.000 0.447 579 P HA 0.090 nan 4.420 nan 0.000 0.286 579 P C -0.834 176.486 177.300 0.034 0.000 1.293 579 P CA -0.548 62.564 63.100 0.020 0.000 0.770 579 P CB 0.354 32.062 31.700 0.014 0.000 1.206 580 A N -0.473 122.375 122.820 0.047 0.000 2.553 580 A HA 0.375 4.695 4.320 -0.000 0.000 0.258 580 A C 1.329 178.950 177.584 0.061 0.000 1.069 580 A CA 0.673 52.750 52.037 0.067 0.000 0.767 580 A CB -1.905 17.148 19.000 0.089 0.000 0.997 580 A HN 0.917 nan 8.150 nan 0.000 0.512 581 G N 1.301 110.143 108.800 0.071 0.000 2.246 581 G HA2 0.171 4.131 3.960 -0.000 0.000 0.273 581 G HA3 0.171 4.131 3.960 -0.000 0.000 0.273 581 G C 0.475 175.405 174.900 0.049 0.000 1.055 581 G CA 0.448 45.591 45.100 0.072 0.000 0.851 581 G HN 2.131 nan 8.290 nan 0.000 0.500 582 A N -0.358 122.484 122.820 0.036 0.000 2.313 582 A HA 0.883 5.203 4.320 -0.000 0.000 0.261 582 A C 1.026 178.622 177.584 0.021 0.000 1.090 582 A CA 0.921 52.969 52.037 0.019 0.000 0.807 582 A CB 0.502 19.507 19.000 0.008 0.000 1.055 582 A HN 1.782 nan 8.150 nan 0.000 0.492 583 T N -1.671 112.888 114.554 0.008 0.000 2.922 583 T HA 0.373 4.723 4.350 -0.000 0.000 0.281 583 T C 0.876 175.575 174.700 -0.002 0.000 1.005 583 T CA -0.013 62.090 62.100 0.006 0.000 0.982 583 T CB 1.105 69.971 68.868 -0.003 0.000 1.158 583 T HN 0.638 nan 8.240 nan 0.000 0.566 584 Q N -0.539 119.260 119.800 -0.002 0.000 2.172 584 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 584 Q C 2.050 178.036 176.000 -0.022 0.000 0.964 584 Q CA 1.046 56.845 55.803 -0.006 0.000 0.855 584 Q CB 0.012 28.752 28.738 0.002 0.000 0.918 584 Q HN 0.788 nan 8.270 nan 0.000 0.444 585 E N 0.156 120.339 120.200 -0.028 0.000 2.158 585 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 585 E C 1.913 178.488 176.600 -0.043 0.000 0.982 585 E CA 0.434 56.811 56.400 -0.038 0.000 0.823 585 E CB 0.217 29.892 29.700 -0.041 0.000 0.766 585 E HN 0.273 nan 8.360 nan 0.000 0.468 586 R N -0.290 120.187 120.500 -0.038 0.000 2.062 586 R HA -0.064 4.275 4.340 -0.000 0.000 0.229 586 R C 2.345 178.612 176.300 -0.054 0.000 1.128 586 R CA 1.559 57.633 56.100 -0.043 0.000 0.960 586 R CB -0.579 29.702 30.300 -0.032 0.000 0.855 586 R HN 0.071 nan 8.270 nan 0.000 0.432 587 T N 0.159 114.684 114.554 -0.048 0.000 3.035 587 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 587 T C 1.638 176.293 174.700 -0.075 0.000 1.109 587 T CA 0.982 63.046 62.100 -0.059 0.000 1.119 587 T CB 0.093 68.936 68.868 -0.041 0.000 0.900 587 T HN 0.085 nan 8.240 nan 0.000 0.503 588 Q N 1.241 121.000 119.800 -0.068 0.000 2.230 588 Q HA 0.073 4.413 4.340 -0.000 0.000 0.202 588 Q C 2.111 178.053 176.000 -0.097 0.000 0.963 588 Q CA 1.510 57.266 55.803 -0.078 0.000 0.866 588 Q CB -0.227 28.474 28.738 -0.062 0.000 0.931 588 Q HN 0.510 nan 8.270 nan 0.000 0.452 589 K N -1.021 119.320 120.400 -0.097 0.000 2.097 589 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 589 K C 1.618 178.123 176.600 -0.158 0.000 1.050 589 K CA 1.241 57.457 56.287 -0.119 0.000 0.938 589 K CB 0.113 32.552 32.500 -0.101 0.000 0.718 589 K HN 0.137 nan 8.250 nan 0.000 0.442 590 V N 1.333 121.157 119.914 -0.151 0.000 2.453 590 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 590 V C 2.105 178.071 176.094 -0.213 0.000 1.048 590 V CA 1.265 63.453 62.300 -0.188 0.000 1.049 590 V CB -0.228 31.499 31.823 -0.160 0.000 0.672 590 V HN 0.289 nan 8.190 nan 0.000 0.457 591 L N 0.198 121.318 121.223 -0.171 0.000 2.291 591 L HA -0.059 4.281 4.340 -0.000 0.000 0.214 591 L C 2.223 178.993 176.870 -0.167 0.000 1.120 591 L CA 0.878 55.620 54.840 -0.165 0.000 0.799 591 L CB -0.461 41.518 42.059 -0.134 0.000 0.925 591 L HN 0.355 nan 8.230 nan 0.000 0.446 592 N N -0.080 118.514 118.700 -0.177 0.000 2.207 592 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 592 N C 1.667 176.967 175.510 -0.350 0.000 1.020 592 N CA 0.973 53.914 53.050 -0.181 0.000 0.858 592 N CB -0.005 38.377 38.487 -0.175 0.000 0.991 592 N HN 0.332 nan 8.380 nan 0.000 0.427 593 E N 0.079 120.031 120.200 -0.413 0.000 2.150 593 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 593 E C 1.686 178.081 176.600 -0.342 0.000 0.985 593 E CA 0.558 56.681 56.400 -0.462 0.000 0.814 593 E CB 0.138 29.606 29.700 -0.387 0.000 0.752 593 E HN 0.068 nan 8.360 nan 0.000 0.466 594 V N 0.977 120.676 119.914 -0.357 0.000 2.453 594 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 594 V C 2.139 178.036 176.094 -0.329 0.000 1.048 594 V CA 1.933 63.989 62.300 -0.408 0.000 1.049 594 V CB -0.430 31.170 31.823 -0.371 0.000 0.672 594 V HN 0.312 nan 8.190 nan 0.000 0.457 595 T N -1.297 113.176 114.554 -0.136 0.000 2.995 595 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 595 T C 1.726 176.509 174.700 0.138 0.000 1.091 595 T CA 1.216 63.317 62.100 0.002 0.000 1.128 595 T CB -0.252 68.636 68.868 0.033 0.000 0.891 595 T HN 0.538 nan 8.240 nan 0.000 0.492 596 H N -0.400 118.633 119.070 -0.061 0.000 2.343 596 H HA 0.114 4.669 4.556 -0.000 0.000 0.303 596 H C 1.795 177.160 175.328 0.062 0.000 1.068 596 H CA 0.650 56.693 56.048 -0.007 0.000 1.359 596 H CB -0.685 29.067 29.762 -0.018 0.000 1.402 596 H HN 0.406 nan 8.280 nan 0.000 0.515 597 Y N 0.118 120.479 120.300 0.103 0.000 2.165 597 Y HA -0.340 4.210 4.550 -0.000 0.000 0.286 597 Y C 1.577 177.643 175.900 0.277 0.000 1.155 597 Y CA 1.482 59.682 58.100 0.167 0.000 1.164 597 Y CB -0.140 38.462 38.460 0.237 0.000 0.978 597 Y HN 0.162 nan 8.280 nan 0.000 0.513 598 Y N -1.001 119.502 120.300 0.338 0.000 2.420 598 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 598 Y C 1.982 177.932 175.900 0.084 0.000 1.119 598 Y CA 0.438 58.672 58.100 0.224 0.000 1.229 598 Y CB -0.658 37.911 38.460 0.182 0.000 1.026 598 Y HN 0.174 nan 8.280 nan 0.000 0.554 599 L N -1.660 119.672 121.223 0.182 0.000 2.208 599 L HA -0.060 4.280 4.340 -0.000 0.000 0.196 599 L C 2.435 179.306 176.870 0.002 0.000 1.130 599 L CA 1.361 56.229 54.840 0.048 0.000 0.791 599 L CB -0.932 41.109 42.059 -0.030 0.000 0.969 599 L HN -0.049 nan 8.230 nan 0.000 0.468 600 T N -0.246 114.287 114.554 -0.035 0.000 2.821 600 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 600 T C 1.548 176.215 174.700 -0.054 0.000 1.046 600 T CA 1.289 63.355 62.100 -0.056 0.000 1.139 600 T CB 0.057 68.875 68.868 -0.084 0.000 0.871 600 T HN 0.151 nan 8.240 nan 0.000 0.454 601 K N 0.354 120.708 120.400 -0.078 0.000 2.404 601 K HA 0.199 4.519 4.320 -0.000 0.000 0.194 601 K C 0.421 176.934 176.600 -0.146 0.000 1.023 601 K CA 0.197 56.381 56.287 -0.172 0.000 1.094 601 K CB 0.534 32.801 32.500 -0.388 0.000 0.841 601 K HN 0.225 nan 8.250 nan 0.000 0.523 602 E N 0.676 120.857 120.200 -0.032 0.000 3.990 602 E HA 0.102 4.452 4.350 -0.000 0.000 0.246 602 E C -0.115 176.507 176.600 0.035 0.000 1.179 602 E CA 0.021 56.436 56.400 0.026 0.000 1.287 602 E CB 0.317 30.096 29.700 0.130 0.000 1.241 602 E HN -0.047 nan 8.360 nan 0.000 0.406 603 K N -0.257 120.147 120.400 0.007 0.000 2.103 603 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 603 K C 1.133 177.735 176.600 0.004 0.000 1.052 603 K CA 1.258 57.547 56.287 0.002 0.000 0.945 603 K CB 0.096 32.590 32.500 -0.010 0.000 0.722 603 K HN 0.163 nan 8.250 nan 0.000 0.443 604 N N 0.772 119.475 118.700 0.004 0.000 2.216 604 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 604 N C 1.041 176.553 175.510 0.004 0.000 1.017 604 N CA 1.251 54.303 53.050 0.004 0.000 0.861 604 N CB -0.008 38.481 38.487 0.004 0.000 0.986 604 N HN 0.272 nan 8.380 nan 0.000 0.428 605 N N -0.822 117.884 118.700 0.010 0.000 2.402 605 N HA 0.088 4.828 4.740 -0.000 0.000 0.174 605 N C -0.555 174.953 175.510 -0.003 0.000 1.027 605 N CA 0.120 53.173 53.050 0.004 0.000 0.891 605 N CB 0.732 39.228 38.487 0.016 0.000 1.016 605 N HN -0.098 nan 8.380 nan 0.000 0.439 606 V N 1.100 121.020 119.914 0.010 0.000 2.472 606 V HA 0.155 4.275 4.120 -0.000 0.000 0.290 606 V C 0.824 176.915 176.094 -0.005 0.000 1.037 606 V CA -0.234 62.066 62.300 0.000 0.000 0.908 606 V CB 1.801 33.639 31.823 0.025 0.000 0.985 606 V HN 0.077 nan 8.190 nan 0.000 0.454 607 E N 2.960 123.152 120.200 -0.013 0.000 2.175 607 E HA 0.121 4.471 4.350 -0.000 0.000 0.195 607 E C 0.555 177.151 176.600 -0.006 0.000 0.934 607 E CA 0.937 57.336 56.400 -0.002 0.000 0.870 607 E CB 0.551 30.254 29.700 0.005 0.000 0.838 607 E HN 0.824 nan 8.360 nan 0.000 0.474 608 S N -0.665 115.034 115.700 -0.002 0.000 2.535 608 S HA 0.604 5.074 4.470 -0.000 0.000 0.272 608 S C -0.974 173.621 174.600 -0.008 0.000 1.149 608 S CA -0.837 57.329 58.200 -0.057 0.000 0.888 608 S CB 1.369 64.621 63.200 0.086 0.000 1.110 608 S HN -0.015 nan 8.310 nan 0.000 0.463 609 V N 2.339 122.194 119.914 -0.099 0.000 2.732 609 V HA 0.720 4.840 4.120 -0.000 0.000 0.310 609 V C -0.938 175.239 176.094 0.137 0.000 1.053 609 V CA -0.731 61.592 62.300 0.038 0.000 0.957 609 V CB 1.423 33.271 31.823 0.041 0.000 1.018 609 V HN 0.927 nan 8.190 nan 0.000 0.452 610 F N 2.809 122.784 119.950 0.042 0.000 2.809 610 F HA 0.742 5.269 4.527 -0.000 0.000 0.369 610 F C 0.453 176.140 175.800 -0.187 0.000 1.225 610 F CA -0.519 57.497 58.000 0.028 0.000 1.201 610 F CB 0.325 39.372 39.000 0.079 0.000 1.527 610 F HN 0.658 nan 8.300 nan 0.000 0.565 611 A N 2.378 124.981 122.820 -0.363 0.000 2.366 611 A HA 0.678 4.998 4.320 -0.000 0.000 0.249 611 A C -0.809 176.447 177.584 -0.547 0.000 1.084 611 A CA -0.252 51.564 52.037 -0.367 0.000 0.794 611 A CB 0.680 19.535 19.000 -0.241 0.000 1.034 611 A HN 0.535 nan 8.150 nan 0.000 0.491 612 V N 2.195 121.881 119.914 -0.379 0.000 2.610 612 V HA 0.156 4.276 4.120 -0.000 0.000 0.288 612 V C -0.408 175.618 176.094 -0.113 0.000 1.055 612 V CA -0.612 61.524 62.300 -0.274 0.000 0.902 612 V CB 1.348 33.031 31.823 -0.234 0.000 1.030 612 V HN 0.981 nan 8.190 nan 0.000 0.448 613 N N 3.192 121.844 118.700 -0.079 0.000 2.411 613 N HA 0.511 5.251 4.740 -0.000 0.000 0.259 613 N C 0.817 176.346 175.510 0.031 0.000 1.103 613 N CA 1.198 54.227 53.050 -0.036 0.000 0.954 613 N CB 0.829 39.288 38.487 -0.046 0.000 1.085 613 N HN 1.125 nan 8.380 nan 0.000 0.485 614 G N 3.496 112.328 108.800 0.053 0.000 2.167 614 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.194 614 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.194 614 G C -0.441 174.582 174.900 0.206 0.000 1.027 614 G CA -0.203 44.954 45.100 0.095 0.000 0.717 614 G HN 0.632 nan 8.290 nan 0.000 0.501 615 F N 0.455 120.405 119.950 0.001 0.000 3.287 615 F HA 0.528 5.055 4.527 -0.000 0.000 0.379 615 F C 0.304 176.119 175.800 0.026 0.000 1.268 615 F CA -0.245 57.763 58.000 0.015 0.000 1.220 615 F CB 0.529 39.541 39.000 0.020 0.000 1.687 615 F HN 0.361 nan 8.300 nan 0.000 0.648 616 G N 2.275 111.018 108.800 -0.095 0.000 2.521 616 G HA2 0.284 4.244 3.960 -0.000 0.000 0.323 616 G HA3 0.284 4.244 3.960 -0.000 0.000 0.323 616 G C -0.408 174.380 174.900 -0.186 0.000 1.211 616 G CA -0.546 44.457 45.100 -0.163 0.000 0.979 616 G HN 0.577 nan 8.290 nan 0.000 0.490 617 F N 0.831 120.745 119.950 -0.061 0.000 2.748 617 F HA 0.162 4.689 4.527 -0.000 0.000 0.299 617 F C 2.556 178.405 175.800 0.082 0.000 1.154 617 F CA 0.482 58.501 58.000 0.032 0.000 1.446 617 F CB 0.076 39.131 39.000 0.092 0.000 1.112 617 F HN 0.431 nan 8.300 nan 0.000 0.584 618 A N -0.409 122.564 122.820 0.255 0.000 1.858 618 A HA 0.266 4.586 4.320 -0.000 0.000 0.216 618 A C 2.034 179.736 177.584 0.196 0.000 1.190 618 A CA 2.035 54.187 52.037 0.191 0.000 0.617 618 A CB -0.958 18.126 19.000 0.139 0.000 0.827 618 A HN 0.455 nan 8.150 nan 0.000 0.443 619 G N -2.439 106.484 108.800 0.205 0.000 3.141 619 G HA2 0.445 4.405 3.960 -0.000 0.000 0.140 619 G HA3 0.445 4.405 3.960 -0.000 0.000 0.140 619 G C -0.177 174.878 174.900 0.259 0.000 1.162 619 G CA 0.095 45.324 45.100 0.215 0.000 1.485 619 G HN 0.422 nan 8.290 nan 0.000 0.713 620 R N -0.963 119.651 120.500 0.190 0.000 2.766 620 R HA 0.589 4.929 4.340 -0.000 0.000 0.270 620 R C -0.771 175.605 176.300 0.128 0.000 1.035 620 R CA 0.098 56.307 56.100 0.181 0.000 0.911 620 R CB 2.138 32.508 30.300 0.117 0.000 1.243 620 R HN 1.884 nan 8.270 nan 0.000 0.460 621 G N 0.310 109.176 108.800 0.111 0.000 2.362 621 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.656 621 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.656 621 G C -0.409 174.538 174.900 0.078 0.000 1.376 621 G CA -0.266 44.885 45.100 0.084 0.000 0.971 621 G HN 0.597 nan 8.290 nan 0.000 0.636 622 Q N -0.379 119.458 119.800 0.061 0.000 2.322 622 Q HA 0.120 4.460 4.340 -0.000 0.000 0.203 622 Q C 0.991 177.012 176.000 0.034 0.000 0.923 622 Q CA 0.579 56.410 55.803 0.047 0.000 0.949 622 Q CB 0.056 28.818 28.738 0.040 0.000 1.039 622 Q HN 0.413 nan 8.270 nan 0.000 0.496 623 N N 1.615 120.339 118.700 0.040 0.000 2.305 623 N HA -0.032 4.708 4.740 -0.000 0.000 0.179 623 N C 0.905 176.424 175.510 0.015 0.000 1.019 623 N CA 1.344 54.410 53.050 0.026 0.000 0.869 623 N CB -0.111 38.397 38.487 0.035 0.000 1.000 623 N HN 0.440 nan 8.380 nan 0.000 0.431 624 T N -1.528 113.046 114.554 0.034 0.000 2.754 624 T HA 0.659 5.009 4.350 -0.000 0.000 0.286 624 T C 0.639 175.343 174.700 0.006 0.000 0.997 624 T CA -0.460 61.655 62.100 0.024 0.000 0.982 624 T CB 1.558 70.460 68.868 0.057 0.000 1.027 624 T HN 0.215 nan 8.240 nan 0.000 0.529 625 G N -0.923 107.866 108.800 -0.019 0.000 2.600 625 G HA2 0.605 4.565 3.960 -0.000 0.000 0.293 625 G HA3 0.605 4.565 3.960 -0.000 0.000 0.293 625 G C -2.047 172.808 174.900 -0.076 0.000 1.408 625 G CA -0.713 44.358 45.100 -0.049 0.000 0.782 625 G HN 0.968 nan 8.290 nan 0.000 0.482 626 I N -0.841 119.658 120.570 -0.120 0.000 2.746 626 I HA 0.673 4.843 4.170 -0.000 0.000 0.290 626 I C -1.153 174.846 176.117 -0.196 0.000 1.600 626 I CA -0.415 60.814 61.300 -0.119 0.000 1.019 626 I CB 2.006 39.901 38.000 -0.175 0.000 1.426 626 I HN 1.316 nan 8.210 nan 0.000 0.460 627 A N 6.724 129.503 122.820 -0.068 0.000 2.363 627 A HA 0.677 4.997 4.320 -0.000 0.000 0.296 627 A C -1.431 176.238 177.584 0.142 0.000 1.237 627 A CA -0.351 51.661 52.037 -0.042 0.000 0.773 627 A CB 0.113 19.125 19.000 0.019 0.000 1.153 627 A HN 0.394 nan 8.150 nan 0.000 0.473 628 F N 2.937 122.923 119.950 0.060 0.000 2.512 628 F HA 0.224 4.751 4.527 -0.000 0.000 0.350 628 F C 0.662 176.492 175.800 0.050 0.000 1.212 628 F CA -0.571 57.488 58.000 0.099 0.000 1.099 628 F CB -0.114 38.952 39.000 0.111 0.000 1.238 628 F HN 0.272 nan 8.300 nan 0.000 0.600 629 V N 2.381 122.285 119.914 -0.016 0.000 2.811 629 V HA 0.259 4.379 4.120 -0.000 0.000 0.302 629 V C 0.504 176.517 176.094 -0.136 0.000 1.063 629 V CA -0.264 61.875 62.300 -0.269 0.000 1.088 629 V CB 1.508 32.698 31.823 -1.055 0.000 0.982 629 V HN 0.721 nan 8.190 nan 0.000 0.485 630 S N 4.514 120.169 115.700 -0.076 0.000 2.524 630 S HA 0.529 4.999 4.470 -0.000 0.000 0.227 630 S C -0.654 173.908 174.600 -0.062 0.000 1.304 630 S CA -0.628 57.546 58.200 -0.044 0.000 1.185 630 S CB -0.060 63.175 63.200 0.058 0.000 1.104 630 S HN 0.533 nan 8.310 nan 0.000 0.475 631 L N 3.132 124.297 121.223 -0.096 0.000 2.473 631 L HA 0.362 4.702 4.340 -0.000 0.000 0.268 631 L C 1.215 178.006 176.870 -0.132 0.000 1.215 631 L CA -0.412 54.372 54.840 -0.093 0.000 0.823 631 L CB 0.349 42.353 42.059 -0.091 0.000 1.099 631 L HN 0.392 nan 8.230 nan 0.000 0.483 632 K N 1.060 121.399 120.400 -0.103 0.000 2.285 632 K HA -0.014 4.306 4.320 -0.000 0.000 0.255 632 K C -0.470 176.010 176.600 -0.200 0.000 1.000 632 K CA -0.197 56.028 56.287 -0.105 0.000 0.887 632 K CB 0.349 32.815 32.500 -0.055 0.000 0.997 632 K HN 0.668 nan 8.250 nan 0.000 0.510 633 D N -0.767 119.534 120.400 -0.166 0.000 2.354 633 D HA -0.093 4.547 4.640 -0.000 0.000 0.238 633 D C 0.870 177.071 176.300 -0.165 0.000 1.250 633 D CA 0.104 53.963 54.000 -0.235 0.000 0.911 633 D CB 0.086 40.856 40.800 -0.050 0.000 1.163 633 D HN 0.467 nan 8.370 nan 0.000 0.456 634 W N -0.017 121.310 121.300 0.045 0.000 2.425 634 W HA 0.095 4.755 4.660 -0.000 0.000 0.277 634 W C 2.401 178.941 176.519 0.034 0.000 1.231 634 W CA 0.718 58.090 57.345 0.045 0.000 1.248 634 W CB -0.781 28.713 29.460 0.057 0.000 1.117 634 W HN 0.555 nan 8.180 nan 0.000 0.568 635 A N 0.680 123.643 122.820 0.238 0.000 1.898 635 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 635 A C 1.386 179.026 177.584 0.093 0.000 1.181 635 A CA 1.992 54.117 52.037 0.147 0.000 0.620 635 A CB -0.830 18.241 19.000 0.119 0.000 0.819 635 A HN 0.231 nan 8.150 nan 0.000 0.442 636 D N -1.009 119.431 120.400 0.067 0.000 2.363 636 D HA 0.049 4.689 4.640 -0.000 0.000 0.220 636 D C 0.537 176.859 176.300 0.036 0.000 0.994 636 D CA 0.435 54.459 54.000 0.039 0.000 0.890 636 D CB 0.097 40.909 40.800 0.019 0.000 0.906 636 D HN 0.306 nan 8.370 nan 0.000 0.530 637 R N 0.779 121.311 120.500 0.052 0.000 2.332 637 R HA 0.199 4.539 4.340 -0.000 0.000 0.306 637 R C -1.759 174.587 176.300 0.076 0.000 1.117 637 R CA -1.128 55.003 56.100 0.051 0.000 1.108 637 R CB 1.385 31.708 30.300 0.038 0.000 1.126 637 R HN 0.101 nan 8.270 nan 0.000 0.548 638 P HA -0.011 nan 4.420 nan 0.000 0.212 638 P C 0.778 178.108 177.300 0.049 0.000 1.171 638 P CA 0.673 63.807 63.100 0.056 0.000 0.892 638 P CB 0.228 31.952 31.700 0.040 0.000 0.769 639 G N -0.204 108.617 108.800 0.035 0.000 2.588 639 G HA2 0.018 3.978 3.960 -0.000 0.000 0.278 639 G HA3 0.018 3.978 3.960 -0.000 0.000 0.278 639 G C 0.768 175.684 174.900 0.027 0.000 1.307 639 G CA -0.232 44.883 45.100 0.026 0.000 1.016 639 G HN 0.117 nan 8.290 nan 0.000 0.503 640 E N -0.529 119.681 120.200 0.017 0.000 2.274 640 E HA -0.093 4.256 4.350 -0.000 0.000 0.194 640 E C 1.937 178.539 176.600 0.004 0.000 0.996 640 E CA 0.554 56.961 56.400 0.012 0.000 0.840 640 E CB 0.154 29.856 29.700 0.003 0.000 0.772 640 E HN 0.468 nan 8.360 nan 0.000 0.491 641 E N 0.655 120.858 120.200 0.004 0.000 2.150 641 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 641 E C 1.172 177.773 176.600 0.001 0.000 0.985 641 E CA 0.698 57.099 56.400 0.001 0.000 0.814 641 E CB -0.370 29.333 29.700 0.005 0.000 0.752 641 E HN 0.209 nan 8.360 nan 0.000 0.466 642 N N 0.943 119.648 118.700 0.008 0.000 2.370 642 N HA -0.031 4.709 4.740 -0.000 0.000 0.198 642 N C 0.325 175.838 175.510 0.004 0.000 1.156 642 N CA 0.226 53.281 53.050 0.008 0.000 0.839 642 N CB 0.324 38.822 38.487 0.018 0.000 0.989 642 N HN 0.043 nan 8.380 nan 0.000 0.468 643 K N 0.347 120.747 120.400 -0.000 0.000 2.166 643 K HA 0.251 4.571 4.320 -0.000 0.000 0.245 643 K C 0.930 177.492 176.600 -0.064 0.000 0.967 643 K CA -0.361 55.927 56.287 0.002 0.000 0.863 643 K CB 1.572 34.097 32.500 0.043 0.000 1.107 643 K HN -0.244 nan 8.250 nan 0.000 0.436 644 V N 2.001 121.857 119.914 -0.096 0.000 2.317 644 V HA -0.282 3.837 4.120 -0.000 0.000 0.251 644 V C 2.364 178.316 176.094 -0.236 0.000 1.065 644 V CA 2.579 64.733 62.300 -0.242 0.000 1.049 644 V CB -0.787 30.909 31.823 -0.211 0.000 0.651 644 V HN 0.911 nan 8.190 nan 0.000 0.450 645 E N 0.857 120.984 120.200 -0.122 0.000 2.058 645 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 645 E C 2.112 178.655 176.600 -0.096 0.000 0.997 645 E CA 2.030 58.373 56.400 -0.094 0.000 0.801 645 E CB -0.593 29.078 29.700 -0.048 0.000 0.746 645 E HN 0.540 nan 8.360 nan 0.000 0.450 646 A N -0.058 122.716 122.820 -0.077 0.000 2.014 646 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 646 A C 2.354 179.900 177.584 -0.064 0.000 1.163 646 A CA 1.104 53.107 52.037 -0.056 0.000 0.652 646 A CB -0.524 18.457 19.000 -0.031 0.000 0.808 646 A HN 0.342 nan 8.150 nan 0.000 0.449 647 I N 0.245 120.749 120.570 -0.111 0.000 2.252 647 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 647 I C 2.639 178.682 176.117 -0.123 0.000 1.102 647 I CA 1.809 63.048 61.300 -0.102 0.000 1.385 647 I CB -0.286 37.596 38.000 -0.197 0.000 1.064 647 I HN 0.496 nan 8.210 nan 0.000 0.414 648 T N -2.141 112.271 114.554 -0.237 0.000 3.088 648 T HA 0.009 4.359 4.350 -0.000 0.000 0.259 648 T C 1.744 176.385 174.700 -0.098 0.000 1.122 648 T CA 0.219 62.214 62.100 -0.176 0.000 1.095 648 T CB 0.026 68.752 68.868 -0.236 0.000 0.930 648 T HN 0.201 nan 8.240 nan 0.000 0.508 649 M N 1.850 121.396 119.600 -0.091 0.000 2.193 649 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 649 M C 2.273 178.523 176.300 -0.084 0.000 1.071 649 M CA 1.297 56.555 55.300 -0.069 0.000 1.140 649 M CB -0.024 32.544 32.600 -0.053 0.000 1.369 649 M HN 0.328 nan 8.290 nan 0.000 0.423 650 R N -0.617 119.836 120.500 -0.078 0.000 2.335 650 R HA 0.259 4.598 4.340 -0.000 0.000 0.223 650 R C 1.280 177.408 176.300 -0.288 0.000 0.940 650 R CA 0.575 56.623 56.100 -0.088 0.000 1.086 650 R CB -0.335 29.983 30.300 0.028 0.000 1.073 650 R HN 0.210 nan 8.270 nan 0.000 0.504 651 A N 1.266 123.844 122.820 -0.404 0.000 1.956 651 A HA -0.019 4.301 4.320 -0.000 0.000 0.212 651 A C 2.098 179.268 177.584 -0.691 0.000 1.188 651 A CA 1.019 52.543 52.037 -0.855 0.000 0.675 651 A CB -0.357 18.392 19.000 -0.417 0.000 0.845 651 A HN 0.432 nan 8.150 nan 0.000 0.455 652 T N -1.282 113.131 114.554 -0.236 0.000 2.612 652 T HA -0.118 4.232 4.350 -0.000 0.000 0.251 652 T C 1.918 176.596 174.700 -0.038 0.000 1.090 652 T CA 1.329 63.409 62.100 -0.033 0.000 1.198 652 T CB -0.457 68.430 68.868 0.031 0.000 0.878 652 T HN 0.249 nan 8.240 nan 0.000 0.401 653 R N 1.634 122.106 120.500 -0.047 0.000 2.293 653 R HA 0.194 4.534 4.340 -0.000 0.000 0.219 653 R C 2.306 178.592 176.300 -0.022 0.000 1.091 653 R CA 0.986 57.076 56.100 -0.017 0.000 1.004 653 R CB -0.837 29.452 30.300 -0.019 0.000 0.865 653 R HN 0.596 nan 8.270 nan 0.000 0.469 654 A N -0.190 122.568 122.820 -0.103 0.000 1.832 654 A HA -0.061 4.259 4.320 -0.000 0.000 0.214 654 A C 1.629 179.251 177.584 0.063 0.000 1.204 654 A CA 1.037 53.027 52.037 -0.078 0.000 0.606 654 A CB -0.660 18.205 19.000 -0.225 0.000 0.849 654 A HN 0.256 nan 8.150 nan 0.000 0.445 655 F N 1.481 121.432 119.950 0.001 0.000 2.051 655 F HA -0.008 4.518 4.527 -0.000 0.000 0.296 655 F C 1.659 177.472 175.800 0.021 0.000 1.122 655 F CA 0.233 58.231 58.000 -0.004 0.000 1.201 655 F CB -1.509 37.470 39.000 -0.035 0.000 0.978 655 F HN -0.058 nan 8.300 nan 0.000 0.472 656 S N 1.452 117.299 115.700 0.244 0.000 2.558 656 S HA 0.027 4.497 4.470 -0.000 0.000 0.291 656 S C 0.736 175.403 174.600 0.112 0.000 1.306 656 S CA 0.158 58.457 58.200 0.165 0.000 1.056 656 S CB 0.862 64.159 63.200 0.162 0.000 0.836 656 S HN 0.314 nan 8.310 nan 0.000 0.504 657 Q N -1.461 118.392 119.800 0.089 0.000 6.098 657 Q HA -0.240 4.100 4.340 -0.000 0.000 0.299 657 Q C 0.493 176.531 176.000 0.064 0.000 2.066 657 Q CA 1.920 57.762 55.803 0.065 0.000 0.422 657 Q CB -1.755 27.016 28.738 0.055 0.000 0.176 657 Q HN 0.832 nan 8.270 nan 0.000 0.716 658 I N 0.046 120.665 120.570 0.082 0.000 3.468 658 I HA 0.520 4.690 4.170 -0.000 0.000 0.276 658 I C 1.143 177.295 176.117 0.058 0.000 1.182 658 I CA -0.242 61.102 61.300 0.072 0.000 0.881 658 I CB 0.464 38.520 38.000 0.094 0.000 1.609 658 I HN 0.438 nan 8.210 nan 0.000 0.780 659 K N -0.323 120.094 120.400 0.029 0.000 1.462 659 K HA -0.224 4.096 4.320 -0.000 0.000 0.669 659 K C -0.082 176.511 176.600 -0.011 0.000 1.902 659 K CA 1.789 58.069 56.287 -0.013 0.000 1.050 659 K CB -0.670 31.804 32.500 -0.043 0.000 1.861 659 K HN 1.016 nan 8.250 nan 0.000 0.563 660 D N -1.507 118.875 120.400 -0.030 0.000 2.434 660 D HA 0.187 4.827 4.640 -0.000 0.000 0.288 660 D C 0.724 177.010 176.300 -0.023 0.000 1.083 660 D CA 0.491 54.478 54.000 -0.021 0.000 0.903 660 D CB -0.152 40.631 40.800 -0.028 0.000 1.476 660 D HN 0.466 nan 8.370 nan 0.000 0.502 661 A N 0.765 123.556 122.820 -0.047 0.000 2.445 661 A HA 0.668 4.988 4.320 -0.000 0.000 0.270 661 A C -0.200 177.350 177.584 -0.057 0.000 1.495 661 A CA -0.290 51.714 52.037 -0.056 0.000 0.840 661 A CB 0.377 19.326 19.000 -0.085 0.000 1.472 661 A HN 0.099 nan 8.150 nan 0.000 0.541 662 M N 0.413 119.950 119.600 -0.106 0.000 2.053 662 M HA 0.430 4.910 4.480 -0.000 0.000 0.297 662 M C -1.552 174.526 176.300 -0.370 0.000 0.921 662 M CA -0.015 55.183 55.300 -0.171 0.000 0.918 662 M CB 1.919 34.426 32.600 -0.155 0.000 1.499 662 M HN 0.324 nan 8.290 nan 0.000 0.422 663 V N 3.278 123.037 119.914 -0.260 0.000 2.656 663 V HA 0.542 4.662 4.120 -0.000 0.000 0.307 663 V C -0.516 175.612 176.094 0.058 0.000 1.051 663 V CA -0.568 61.604 62.300 -0.213 0.000 0.893 663 V CB 1.651 33.421 31.823 -0.088 0.000 0.999 663 V HN 0.725 nan 8.190 nan 0.000 0.426 664 F N 1.630 121.727 119.950 0.245 0.000 2.484 664 F HA 0.796 5.323 4.527 -0.000 0.000 0.268 664 F C 1.150 177.120 175.800 0.283 0.000 0.965 664 F CA 0.265 58.418 58.000 0.255 0.000 1.119 664 F CB -0.685 38.485 39.000 0.283 0.000 1.153 664 F HN 0.793 nan 8.300 nan 0.000 0.689 665 A N 0.393 123.562 122.820 0.582 0.000 2.435 665 A HA 0.255 4.575 4.320 -0.000 0.000 0.686 665 A C -0.901 176.945 177.584 0.436 0.000 0.138 665 A CA -0.144 52.141 52.037 0.413 0.000 0.024 665 A CB -2.147 17.098 19.000 0.407 0.000 3.974 665 A HN 1.022 nan 8.150 nan 0.000 0.548 666 F N -0.464 119.674 119.950 0.313 0.000 2.690 666 F HA 0.637 5.164 4.527 -0.000 0.000 0.311 666 F C -0.484 175.421 175.800 0.175 0.000 1.111 666 F CA -0.808 57.294 58.000 0.170 0.000 1.003 666 F CB 0.305 39.401 39.000 0.160 0.000 1.283 666 F HN 1.116 nan 8.300 nan 0.000 0.442 667 N N 2.074 120.900 118.700 0.211 0.000 2.479 667 N HA 0.343 5.082 4.740 -0.000 0.000 0.257 667 N C -0.918 174.752 175.510 0.267 0.000 1.232 667 N CA -0.598 52.536 53.050 0.140 0.000 0.920 667 N CB 0.863 39.376 38.487 0.044 0.000 1.105 667 N HN 0.819 nan 8.380 nan 0.000 0.444 668 L N 0.922 122.259 121.223 0.190 0.000 2.361 668 L HA 0.277 4.617 4.340 -0.000 0.000 0.278 668 L C -1.931 175.009 176.870 0.116 0.000 1.113 668 L CA -1.895 53.060 54.840 0.192 0.000 0.849 668 L CB 0.253 42.379 42.059 0.111 0.000 1.155 668 L HN 0.462 nan 8.230 nan 0.000 0.452 669 P HA 0.027 nan 4.420 nan 0.000 0.265 669 P C 0.284 177.597 177.300 0.022 0.000 1.222 669 P CA 0.052 63.181 63.100 0.049 0.000 0.767 669 P CB 1.159 32.878 31.700 0.032 0.000 0.801 670 A N 6.208 129.026 122.820 -0.003 0.000 1.829 670 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 670 A C 1.356 178.811 177.584 -0.215 0.000 1.207 670 A CA 1.414 53.433 52.037 -0.030 0.000 0.622 670 A CB -1.502 17.499 19.000 0.001 0.000 0.846 670 A HN 0.622 nan 8.150 nan 0.000 0.447 671 I N -2.507 117.904 120.570 -0.265 0.000 4.693 671 I HA -0.333 3.837 4.170 -0.000 0.000 0.061 671 I C 0.918 176.979 176.117 -0.094 0.000 0.763 671 I CA 1.581 62.796 61.300 -0.142 0.000 0.461 671 I CB -1.456 36.556 38.000 0.019 0.000 0.750 671 I HN 0.378 nan 8.210 nan 0.000 0.420 672 V N -1.967 117.946 119.914 -0.002 0.000 3.703 672 V HA 0.218 4.338 4.120 -0.000 0.000 0.306 672 V C 0.921 177.010 176.094 -0.007 0.000 1.407 672 V CA 0.007 62.305 62.300 -0.003 0.000 0.974 672 V CB 0.990 32.819 31.823 0.010 0.000 1.188 672 V HN 0.715 nan 8.190 nan 0.000 0.477 673 E N 0.205 120.395 120.200 -0.017 0.000 2.106 673 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 673 E C 0.935 177.522 176.600 -0.022 0.000 0.984 673 E CA 1.185 57.562 56.400 -0.038 0.000 0.806 673 E CB -0.077 29.600 29.700 -0.038 0.000 0.750 673 E HN 0.534 nan 8.360 nan 0.000 0.458 674 L N -3.436 117.785 121.223 -0.003 0.000 2.567 674 L HA 0.564 4.904 4.340 -0.000 0.000 0.238 674 L C 0.890 177.760 176.870 -0.001 0.000 1.168 674 L CA -0.233 54.604 54.840 -0.006 0.000 0.817 674 L CB 0.572 42.628 42.059 -0.005 0.000 1.409 674 L HN 0.214 nan 8.230 nan 0.000 0.502 675 G N -0.452 108.335 108.800 -0.023 0.000 2.248 675 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 675 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 675 G C 0.505 175.459 174.900 0.091 0.000 1.085 675 G CA 0.475 45.568 45.100 -0.012 0.000 0.845 675 G HN 1.206 nan 8.290 nan 0.000 0.494 676 T N -2.383 112.193 114.554 0.037 0.000 2.896 676 T HA 0.507 4.857 4.350 -0.000 0.000 0.263 676 T C 1.519 176.246 174.700 0.045 0.000 1.050 676 T CA 1.589 63.707 62.100 0.030 0.000 1.140 676 T CB -0.038 68.821 68.868 -0.016 0.000 0.877 676 T HN 2.475 nan 8.240 nan 0.000 0.457 677 A N 1.246 124.092 122.820 0.043 0.000 2.435 677 A HA 0.272 4.592 4.320 -0.000 0.000 0.686 677 A C 0.836 178.438 177.584 0.029 0.000 0.138 677 A CA 0.751 52.817 52.037 0.049 0.000 0.024 677 A CB -2.365 16.682 19.000 0.079 0.000 3.974 677 A HN 2.352 nan 8.150 nan 0.000 0.548 678 T N -1.554 113.020 114.554 0.033 0.000 3.803 678 T HA 0.345 4.695 4.350 -0.000 0.000 0.376 678 T C 1.240 175.952 174.700 0.021 0.000 0.761 678 T CA 2.066 64.183 62.100 0.028 0.000 1.962 678 T CB -2.261 66.612 68.868 0.009 0.000 1.780 678 T HN 3.166 nan 8.240 nan 0.000 0.771 679 G N 0.584 109.409 108.800 0.041 0.000 2.658 679 G HA2 0.599 4.559 3.960 -0.000 0.000 0.301 679 G HA3 0.599 4.559 3.960 -0.000 0.000 0.301 679 G C -0.884 174.045 174.900 0.049 0.000 1.481 679 G CA -0.477 44.614 45.100 -0.015 0.000 0.931 679 G HN 1.213 nan 8.290 nan 0.000 0.573 680 F N 0.031 119.996 119.950 0.024 0.000 2.639 680 F HA 0.914 5.441 4.527 -0.000 0.000 0.339 680 F C -0.997 174.874 175.800 0.118 0.000 1.071 680 F CA -1.678 56.365 58.000 0.072 0.000 0.994 680 F CB 2.302 41.396 39.000 0.157 0.000 1.341 680 F HN 0.310 nan 8.300 nan 0.000 0.498 681 D N 1.174 121.872 120.400 0.497 0.000 2.402 681 D HA 0.243 4.883 4.640 -0.000 0.000 0.252 681 D C -1.733 174.875 176.300 0.513 0.000 1.294 681 D CA -0.144 54.054 54.000 0.330 0.000 0.948 681 D CB 1.028 41.897 40.800 0.116 0.000 1.202 681 D HN 0.438 nan 8.370 nan 0.000 0.561 682 F N 2.087 122.207 119.950 0.284 0.000 2.380 682 F HA 0.586 5.113 4.527 -0.000 0.000 0.319 682 F C 0.033 175.693 175.800 -0.234 0.000 1.113 682 F CA -0.513 57.371 58.000 -0.192 0.000 1.056 682 F CB 1.231 40.062 39.000 -0.282 0.000 1.289 682 F HN 0.273 nan 8.300 nan 0.000 0.515 683 E N 2.592 122.071 120.200 -1.202 0.000 2.363 683 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 683 E C -2.236 173.763 176.600 -1.001 0.000 0.953 683 E CA -0.889 55.016 56.400 -0.825 0.000 0.778 683 E CB 1.756 31.071 29.700 -0.642 0.000 1.220 683 E HN 0.616 nan 8.360 nan 0.000 0.431 684 L N 4.414 125.345 121.223 -0.487 0.000 2.322 684 L HA 0.675 5.015 4.340 -0.000 0.000 0.281 684 L C -1.559 175.215 176.870 -0.159 0.000 1.014 684 L CA -0.281 54.395 54.840 -0.272 0.000 0.815 684 L CB 1.236 43.258 42.059 -0.061 0.000 1.247 684 L HN 0.656 nan 8.230 nan 0.000 0.421 685 I N 2.941 123.447 120.570 -0.106 0.000 2.607 685 I HA 0.311 4.481 4.170 -0.000 0.000 0.305 685 I C -0.803 175.309 176.117 -0.009 0.000 0.995 685 I CA -0.540 60.733 61.300 -0.045 0.000 1.148 685 I CB 1.903 39.884 38.000 -0.033 0.000 1.323 685 I HN 0.805 nan 8.210 nan 0.000 0.461 686 D N 4.565 124.970 120.400 0.007 0.000 2.428 686 D HA 0.127 4.767 4.640 -0.000 0.000 0.221 686 D C 0.151 176.457 176.300 0.011 0.000 1.123 686 D CA -0.100 53.909 54.000 0.016 0.000 0.869 686 D CB 1.099 41.915 40.800 0.027 0.000 1.032 686 D HN 0.352 nan 8.370 nan 0.000 0.506 687 Q N 2.268 122.071 119.800 0.005 0.000 2.280 687 Q HA 0.392 4.732 4.340 -0.000 0.000 0.201 687 Q C -0.366 175.635 176.000 0.002 0.000 0.890 687 Q CA -0.215 55.587 55.803 -0.001 0.000 0.947 687 Q CB 0.545 29.276 28.738 -0.012 0.000 1.081 687 Q HN 0.578 nan 8.270 nan 0.000 0.502 688 A N -1.927 120.898 122.820 0.007 0.000 2.686 688 A HA 0.711 5.031 4.320 -0.000 0.000 0.263 688 A C 0.729 178.320 177.584 0.011 0.000 1.264 688 A CA -0.212 51.830 52.037 0.008 0.000 0.799 688 A CB 0.045 19.050 19.000 0.008 0.000 1.363 688 A HN 0.144 nan 8.150 nan 0.000 0.507 689 G N -0.262 108.544 108.800 0.011 0.000 3.026 689 G HA2 0.400 4.360 3.960 -0.000 0.000 0.208 689 G HA3 0.400 4.360 3.960 -0.000 0.000 0.208 689 G C 0.464 175.373 174.900 0.016 0.000 1.169 689 G CA 0.396 45.503 45.100 0.013 0.000 0.788 689 G HN 0.710 nan 8.290 nan 0.000 0.533 690 L N -0.783 120.451 121.223 0.019 0.000 2.436 690 L HA 0.758 5.098 4.340 -0.000 0.000 0.265 690 L C 1.035 177.925 176.870 0.034 0.000 1.168 690 L CA -0.728 54.125 54.840 0.022 0.000 0.815 690 L CB 0.244 42.315 42.059 0.020 0.000 1.109 690 L HN -0.038 nan 8.230 nan 0.000 0.462 691 G N -1.079 107.744 108.800 0.038 0.000 2.543 691 G HA2 0.142 4.102 3.960 -0.000 0.000 0.267 691 G HA3 0.142 4.102 3.960 -0.000 0.000 0.267 691 G C 0.370 175.332 174.900 0.104 0.000 1.406 691 G CA 0.031 45.169 45.100 0.063 0.000 1.048 691 G HN 0.893 nan 8.290 nan 0.000 0.548 692 H N -0.238 118.841 119.070 0.016 0.000 2.403 692 H HA -0.071 4.485 4.556 -0.000 0.000 0.298 692 H C 2.396 177.733 175.328 0.014 0.000 1.059 692 H CA 2.086 58.144 56.048 0.017 0.000 1.363 692 H CB -0.106 29.670 29.762 0.023 0.000 1.410 692 H HN 0.662 nan 8.280 nan 0.000 0.528 693 E N 0.711 120.799 120.200 -0.187 0.000 2.110 693 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 693 E C 1.684 178.216 176.600 -0.113 0.000 0.988 693 E CA 1.260 57.521 56.400 -0.232 0.000 0.804 693 E CB -0.206 29.416 29.700 -0.131 0.000 0.745 693 E HN 0.444 nan 8.360 nan 0.000 0.458 694 K N 0.340 120.716 120.400 -0.040 0.000 2.305 694 K HA 0.122 4.442 4.320 -0.000 0.000 0.199 694 K C 2.185 178.790 176.600 0.008 0.000 1.047 694 K CA 0.233 56.512 56.287 -0.013 0.000 0.976 694 K CB 0.091 32.592 32.500 0.001 0.000 0.765 694 K HN 0.128 nan 8.250 nan 0.000 0.474 695 L N 0.865 122.111 121.223 0.039 0.000 2.217 695 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 695 L C 1.794 178.702 176.870 0.064 0.000 1.107 695 L CA 1.065 55.946 54.840 0.069 0.000 0.783 695 L CB -0.126 42.007 42.059 0.123 0.000 0.919 695 L HN 0.186 nan 8.230 nan 0.000 0.442 696 T N -1.304 113.270 114.554 0.034 0.000 2.821 696 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 696 T C 1.675 176.372 174.700 -0.006 0.000 1.046 696 T CA 1.221 63.328 62.100 0.012 0.000 1.139 696 T CB 0.014 68.835 68.868 -0.079 0.000 0.871 696 T HN 0.225 nan 8.240 nan 0.000 0.454 697 Q N 1.485 121.274 119.800 -0.018 0.000 2.123 697 Q HA 0.168 4.508 4.340 -0.000 0.000 0.199 697 Q C 2.213 178.213 176.000 -0.000 0.000 0.966 697 Q CA 1.643 57.437 55.803 -0.016 0.000 0.845 697 Q CB -0.644 28.081 28.738 -0.021 0.000 0.907 697 Q HN 0.466 nan 8.270 nan 0.000 0.439 698 A N 0.781 123.608 122.820 0.010 0.000 1.968 698 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 698 A C 2.088 179.687 177.584 0.025 0.000 1.169 698 A CA 1.353 53.401 52.037 0.019 0.000 0.638 698 A CB -0.577 18.439 19.000 0.026 0.000 0.812 698 A HN 0.344 nan 8.150 nan 0.000 0.446 699 R N 0.482 121.000 120.500 0.029 0.000 2.115 699 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 699 R C 1.153 177.468 176.300 0.026 0.000 1.100 699 R CA 1.826 57.947 56.100 0.035 0.000 0.980 699 R CB -0.727 29.598 30.300 0.042 0.000 0.875 699 R HN 0.603 nan 8.270 nan 0.000 0.445 700 N N 0.408 119.117 118.700 0.015 0.000 2.396 700 N HA -0.120 4.620 4.740 -0.000 0.000 0.180 700 N C 1.711 177.224 175.510 0.005 0.000 1.028 700 N CA 0.747 53.801 53.050 0.007 0.000 0.893 700 N CB 0.073 38.557 38.487 -0.004 0.000 0.967 700 N HN 0.364 nan 8.380 nan 0.000 0.440 701 Q N 0.251 120.055 119.800 0.006 0.000 2.331 701 Q HA 0.057 4.397 4.340 -0.000 0.000 0.203 701 Q C 1.871 177.873 176.000 0.003 0.000 0.944 701 Q CA 0.392 56.197 55.803 0.004 0.000 0.892 701 Q CB 0.256 28.996 28.738 0.003 0.000 0.983 701 Q HN 0.394 nan 8.270 nan 0.000 0.482 702 L N -0.240 120.987 121.223 0.007 0.000 2.162 702 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 702 L C 1.748 178.613 176.870 -0.008 0.000 1.086 702 L CA 0.843 55.680 54.840 -0.005 0.000 0.778 702 L CB 0.046 42.114 42.059 0.015 0.000 0.928 702 L HN 0.236 nan 8.230 nan 0.000 0.446 703 L N -0.329 120.898 121.223 0.007 0.000 2.217 703 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 703 L C 2.685 179.557 176.870 0.003 0.000 1.107 703 L CA 0.878 55.722 54.840 0.007 0.000 0.783 703 L CB -0.757 41.310 42.059 0.014 0.000 0.919 703 L HN 0.343 nan 8.230 nan 0.000 0.442 704 A N -0.271 122.552 122.820 0.005 0.000 1.854 704 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 704 A C 2.190 179.785 177.584 0.018 0.000 1.192 704 A CA 1.098 53.140 52.037 0.008 0.000 0.611 704 A CB -0.290 18.714 19.000 0.006 0.000 0.832 704 A HN 0.277 nan 8.150 nan 0.000 0.442 705 E N 0.152 120.365 120.200 0.023 0.000 2.268 705 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 705 E C 2.170 178.823 176.600 0.088 0.000 0.995 705 E CA 0.965 57.400 56.400 0.059 0.000 0.836 705 E CB -0.406 29.316 29.700 0.038 0.000 0.763 705 E HN 0.575 nan 8.360 nan 0.000 0.491 706 A N 1.343 124.171 122.820 0.013 0.000 1.873 706 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 706 A C 2.226 179.768 177.584 -0.069 0.000 1.186 706 A CA 1.643 53.656 52.037 -0.041 0.000 0.616 706 A CB -0.242 18.732 19.000 -0.042 0.000 0.823 706 A HN 0.223 nan 8.150 nan 0.000 0.442 707 A N -1.210 121.593 122.820 -0.029 0.000 2.307 707 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 707 A C 1.828 179.409 177.584 -0.006 0.000 1.228 707 A CA 0.821 52.839 52.037 -0.031 0.000 0.857 707 A CB -0.238 18.751 19.000 -0.018 0.000 0.897 707 A HN 0.440 nan 8.150 nan 0.000 0.495 708 K N 0.633 121.053 120.400 0.033 0.000 2.098 708 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 708 K C 0.170 176.839 176.600 0.115 0.000 1.051 708 K CA 1.063 57.392 56.287 0.070 0.000 0.957 708 K CB -0.091 32.462 32.500 0.087 0.000 0.738 708 K HN 0.743 nan 8.250 nan 0.000 0.447 709 H N 0.101 119.160 119.070 -0.019 0.000 2.569 709 H HA 0.421 4.976 4.556 -0.000 0.000 0.247 709 H C -3.003 172.314 175.328 -0.018 0.000 1.346 709 H CA -2.426 53.611 56.048 -0.018 0.000 1.502 709 H CB 0.908 30.658 29.762 -0.020 0.000 1.512 709 H HN -0.059 nan 8.280 nan 0.000 0.502 710 P HA 0.331 nan 4.420 nan 0.000 0.301 710 P C -0.498 176.762 177.300 -0.067 0.000 1.385 710 P CA -0.287 62.717 63.100 -0.159 0.000 0.902 710 P CB 1.658 33.290 31.700 -0.113 0.000 0.965 711 D N 2.483 122.854 120.400 -0.047 0.000 3.131 711 D HA -0.115 4.525 4.640 -0.000 0.000 0.209 711 D C -0.225 176.042 176.300 -0.055 0.000 1.028 711 D CA 0.280 54.243 54.000 -0.063 0.000 0.957 711 D CB -1.607 39.147 40.800 -0.076 0.000 1.059 711 D HN 0.471 nan 8.370 nan 0.000 0.448 712 M N -0.637 118.941 119.600 -0.037 0.000 3.844 712 M HA -0.263 4.217 4.480 -0.000 0.000 0.160 712 M C -0.193 176.080 176.300 -0.045 0.000 1.495 712 M CA 0.434 55.715 55.300 -0.031 0.000 1.034 712 M CB -1.675 30.912 32.600 -0.021 0.000 1.329 712 M HN 0.097 nan 8.290 nan 0.000 0.375 713 L N 1.745 122.941 121.223 -0.045 0.000 2.453 713 L HA 0.175 4.515 4.340 -0.000 0.000 0.283 713 L C 1.126 177.970 176.870 -0.045 0.000 1.284 713 L CA 1.113 55.919 54.840 -0.057 0.000 0.822 713 L CB -0.025 42.008 42.059 -0.044 0.000 1.081 713 L HN 0.652 nan 8.230 nan 0.000 0.562 714 T N -2.121 112.406 114.554 -0.046 0.000 3.186 714 T HA 0.388 4.738 4.350 -0.000 0.000 0.320 714 T C -0.494 174.202 174.700 -0.007 0.000 0.955 714 T CA -0.833 61.270 62.100 0.004 0.000 1.030 714 T CB 0.991 69.866 68.868 0.012 0.000 1.013 714 T HN 0.640 nan 8.240 nan 0.000 0.454 715 S N 2.104 117.791 115.700 -0.022 0.000 2.499 715 S HA 0.676 5.146 4.470 -0.000 0.000 0.275 715 S C 0.160 174.716 174.600 -0.074 0.000 1.257 715 S CA -0.681 57.487 58.200 -0.054 0.000 1.050 715 S CB 0.318 63.473 63.200 -0.075 0.000 0.937 715 S HN 1.321 nan 8.310 nan 0.000 0.490 716 V N 1.212 121.094 119.914 -0.052 0.000 2.711 716 V HA 0.794 4.913 4.120 -0.000 0.000 0.304 716 V C -0.811 175.264 176.094 -0.031 0.000 1.097 716 V CA -0.995 61.279 62.300 -0.044 0.000 0.906 716 V CB 1.575 33.407 31.823 0.015 0.000 1.015 716 V HN 0.894 nan 8.190 nan 0.000 0.427 717 R N 3.266 123.744 120.500 -0.037 0.000 2.774 717 R HA 0.714 5.054 4.340 -0.000 0.000 0.272 717 R C -3.040 173.261 176.300 0.001 0.000 1.000 717 R CA -1.900 54.194 56.100 -0.011 0.000 0.906 717 R CB 2.829 33.123 30.300 -0.010 0.000 1.227 717 R HN 0.584 nan 8.270 nan 0.000 0.468 718 P HA 0.141 nan 4.420 nan 0.000 0.274 718 P C 0.045 177.361 177.300 0.025 0.000 1.256 718 P CA -0.249 62.866 63.100 0.025 0.000 0.795 718 P CB 0.940 32.660 31.700 0.033 0.000 1.038 719 N N 0.079 118.794 118.700 0.024 0.000 2.173 719 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 719 N C 0.635 176.174 175.510 0.048 0.000 1.025 719 N CA 1.600 54.667 53.050 0.028 0.000 0.852 719 N CB -0.113 38.386 38.487 0.019 0.000 0.998 719 N HN 0.690 nan 8.380 nan 0.000 0.427 720 G N -0.459 108.370 108.800 0.049 0.000 3.678 720 G HA2 0.172 4.132 3.960 -0.000 0.000 0.235 720 G HA3 0.172 4.132 3.960 -0.000 0.000 0.235 720 G C -0.832 174.103 174.900 0.058 0.000 3.905 720 G CA -0.442 44.694 45.100 0.059 0.000 0.513 720 G HN 0.120 nan 8.290 nan 0.000 0.266 721 L N 0.173 121.431 121.223 0.058 0.000 3.062 721 L HA 0.408 4.748 4.340 -0.000 0.000 0.255 721 L C 1.785 178.702 176.870 0.080 0.000 1.274 721 L CA -0.364 54.518 54.840 0.070 0.000 1.047 721 L CB 0.686 42.790 42.059 0.075 0.000 1.402 721 L HN 0.171 nan 8.230 nan 0.000 0.550 722 E N 1.329 121.572 120.200 0.071 0.000 2.217 722 E HA -0.296 4.054 4.350 -0.000 0.000 0.219 722 E C 0.151 176.795 176.600 0.074 0.000 1.070 722 E CA 1.911 58.351 56.400 0.067 0.000 0.889 722 E CB -0.222 29.519 29.700 0.068 0.000 0.768 722 E HN 0.596 nan 8.360 nan 0.000 0.465 723 D N -1.960 118.502 120.400 0.102 0.000 4.704 723 D HA -0.104 4.536 4.640 -0.000 0.000 0.225 723 D C -1.128 175.279 176.300 0.179 0.000 1.436 723 D CA 0.956 55.034 54.000 0.130 0.000 1.085 723 D CB -0.360 40.481 40.800 0.068 0.000 0.518 723 D HN 0.224 nan 8.370 nan 0.000 0.246 724 T N 1.290 115.978 114.554 0.223 0.000 2.916 724 T HA 0.897 5.246 4.350 -0.000 0.000 0.292 724 T C -2.886 171.981 174.700 0.279 0.000 1.055 724 T CA -1.657 60.594 62.100 0.251 0.000 1.009 724 T CB 2.549 71.518 68.868 0.168 0.000 1.118 724 T HN 0.092 nan 8.240 nan 0.000 0.497 725 P HA 0.352 nan 4.420 nan 0.000 0.277 725 P C -1.174 176.261 177.300 0.225 0.000 1.240 725 P CA -0.476 62.683 63.100 0.098 0.000 0.798 725 P CB 0.587 32.245 31.700 -0.071 0.000 0.979 726 Q N 0.596 120.502 119.800 0.178 0.000 2.375 726 Q HA 0.424 4.764 4.340 -0.000 0.000 0.271 726 Q C -1.228 174.757 176.000 -0.026 0.000 1.074 726 Q CA -0.679 55.184 55.803 0.100 0.000 0.808 726 Q CB 2.034 30.808 28.738 0.061 0.000 1.327 726 Q HN 0.341 nan 8.270 nan 0.000 0.441 727 F N 2.673 122.415 119.950 -0.347 0.000 2.439 727 F HA 0.218 4.745 4.527 -0.000 0.000 0.356 727 F C 0.208 175.787 175.800 -0.368 0.000 1.161 727 F CA -0.215 57.427 58.000 -0.597 0.000 1.151 727 F CB 0.369 38.913 39.000 -0.760 0.000 1.222 727 F HN 0.317 nan 8.300 nan 0.000 0.558 728 K N 5.864 125.923 120.400 -0.568 0.000 2.174 728 K HA 0.554 4.874 4.320 -0.000 0.000 0.275 728 K C -1.045 175.271 176.600 -0.474 0.000 1.015 728 K CA -0.329 55.728 56.287 -0.384 0.000 0.933 728 K CB 0.674 33.017 32.500 -0.263 0.000 1.025 728 K HN 0.670 nan 8.250 nan 0.000 0.463 729 I N 3.732 124.148 120.570 -0.257 0.000 2.448 729 I HA 0.139 4.309 4.170 -0.000 0.000 0.281 729 I C -1.138 174.925 176.117 -0.091 0.000 1.027 729 I CA -0.844 60.354 61.300 -0.171 0.000 1.111 729 I CB 1.760 39.717 38.000 -0.071 0.000 1.236 729 I HN 0.609 nan 8.210 nan 0.000 0.452 730 D N 7.191 127.539 120.400 -0.086 0.000 2.336 730 D HA 0.338 4.978 4.640 -0.000 0.000 0.249 730 D C -0.040 176.255 176.300 -0.008 0.000 1.213 730 D CA 0.122 54.092 54.000 -0.049 0.000 0.870 730 D CB 1.010 41.778 40.800 -0.053 0.000 1.076 730 D HN 0.306 nan 8.370 nan 0.000 0.483 731 I N 2.402 122.966 120.570 -0.010 0.000 2.291 731 I HA 0.094 4.264 4.170 -0.000 0.000 0.292 731 I C 0.340 176.442 176.117 -0.025 0.000 1.064 731 I CA -0.676 60.621 61.300 -0.005 0.000 1.269 731 I CB 0.785 38.742 38.000 -0.071 0.000 1.418 731 I HN 0.204 nan 8.210 nan 0.000 0.485 732 D N 6.050 126.455 120.400 0.008 0.000 2.371 732 D HA 0.005 4.644 4.640 -0.000 0.000 0.256 732 D C 1.044 177.325 176.300 -0.032 0.000 1.193 732 D CA 0.174 54.172 54.000 -0.003 0.000 0.881 732 D CB 1.115 41.928 40.800 0.022 0.000 1.143 732 D HN 0.381 nan 8.370 nan 0.000 0.473 733 Q N 2.861 122.635 119.800 -0.043 0.000 2.230 733 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 733 Q C 1.409 177.381 176.000 -0.046 0.000 0.963 733 Q CA 0.917 56.683 55.803 -0.062 0.000 0.866 733 Q CB 0.152 28.859 28.738 -0.052 0.000 0.931 733 Q HN 0.750 nan 8.270 nan 0.000 0.452 734 E N 0.311 120.497 120.200 -0.024 0.000 2.112 734 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 734 E C 1.766 178.365 176.600 -0.001 0.000 0.979 734 E CA 0.417 56.809 56.400 -0.012 0.000 0.814 734 E CB -0.085 29.612 29.700 -0.005 0.000 0.762 734 E HN 0.071 nan 8.360 nan 0.000 0.460 735 K N 0.808 121.216 120.400 0.013 0.000 2.148 735 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 735 K C 2.225 178.856 176.600 0.051 0.000 1.050 735 K CA 0.975 57.290 56.287 0.047 0.000 0.942 735 K CB -0.074 32.476 32.500 0.084 0.000 0.724 735 K HN 0.175 nan 8.250 nan 0.000 0.446 736 A N 1.561 124.371 122.820 -0.017 0.000 1.841 736 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 736 A C 2.013 179.557 177.584 -0.067 0.000 1.195 736 A CA 1.196 53.166 52.037 -0.113 0.000 0.611 736 A CB -0.487 18.341 19.000 -0.287 0.000 0.835 736 A HN 0.298 nan 8.150 nan 0.000 0.443 737 Q N -0.564 119.201 119.800 -0.058 0.000 2.291 737 Q HA -0.008 4.332 4.340 -0.000 0.000 0.205 737 Q C 2.250 178.243 176.000 -0.011 0.000 0.970 737 Q CA 0.838 56.619 55.803 -0.038 0.000 0.876 737 Q CB -0.329 28.387 28.738 -0.036 0.000 0.935 737 Q HN 0.693 nan 8.270 nan 0.000 0.455 738 A N 1.158 123.979 122.820 0.002 0.000 1.873 738 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 738 A C 2.009 179.607 177.584 0.023 0.000 1.186 738 A CA 1.107 53.152 52.037 0.014 0.000 0.616 738 A CB -0.547 18.465 19.000 0.021 0.000 0.823 738 A HN 0.332 nan 8.150 nan 0.000 0.442 739 L N -2.094 119.152 121.223 0.038 0.000 2.313 739 L HA 0.273 4.613 4.340 -0.000 0.000 0.214 739 L C 1.466 178.360 176.870 0.041 0.000 1.119 739 L CA 0.570 55.441 54.840 0.051 0.000 0.809 739 L CB -0.686 41.425 42.059 0.086 0.000 0.933 739 L HN 0.571 nan 8.230 nan 0.000 0.449 740 G N 1.190 110.004 108.800 0.023 0.000 2.237 740 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.153 740 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.153 740 G C -0.109 174.795 174.900 0.007 0.000 1.039 740 G CA -0.194 44.913 45.100 0.012 0.000 0.719 740 G HN 0.191 nan 8.290 nan 0.000 0.491 741 V N -1.896 118.008 119.914 -0.017 0.000 2.483 741 V HA 0.881 5.001 4.120 -0.000 0.000 0.295 741 V C 0.771 176.811 176.094 -0.091 0.000 1.035 741 V CA -0.423 61.850 62.300 -0.046 0.000 0.896 741 V CB 1.629 33.407 31.823 -0.075 0.000 0.986 741 V HN 0.673 nan 8.190 nan 0.000 0.447 742 S N 2.261 117.921 115.700 -0.068 0.000 2.564 742 S HA 0.442 4.912 4.470 -0.000 0.000 0.278 742 S C 0.958 175.489 174.600 -0.115 0.000 1.333 742 S CA -0.449 57.708 58.200 -0.071 0.000 1.048 742 S CB 0.493 63.671 63.200 -0.037 0.000 0.900 742 S HN 0.653 nan 8.310 nan 0.000 0.505 743 I N 4.110 124.612 120.570 -0.114 0.000 2.676 743 I HA -0.070 4.100 4.170 -0.000 0.000 0.259 743 I C 1.916 177.981 176.117 -0.087 0.000 1.194 743 I CA 0.514 61.733 61.300 -0.135 0.000 1.473 743 I CB -0.315 37.617 38.000 -0.113 0.000 1.096 743 I HN 0.522 nan 8.210 nan 0.000 0.443 744 N N 0.964 119.632 118.700 -0.053 0.000 2.084 744 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 744 N C 1.492 176.995 175.510 -0.012 0.000 1.030 744 N CA 1.452 54.488 53.050 -0.024 0.000 0.849 744 N CB -0.428 38.052 38.487 -0.012 0.000 1.012 744 N HN 0.336 nan 8.380 nan 0.000 0.423 745 D N 0.573 120.963 120.400 -0.015 0.000 2.144 745 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 745 D C 1.998 178.313 176.300 0.026 0.000 0.984 745 D CA 0.589 54.598 54.000 0.014 0.000 0.834 745 D CB -0.046 40.766 40.800 0.021 0.000 0.955 745 D HN 0.318 nan 8.370 nan 0.000 0.465 746 I N 1.234 121.780 120.570 -0.040 0.000 2.439 746 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 746 I C 1.930 178.080 176.117 0.054 0.000 1.139 746 I CA 0.605 61.878 61.300 -0.045 0.000 1.438 746 I CB -0.126 37.681 38.000 -0.322 0.000 1.085 746 I HN -0.097 nan 8.210 nan 0.000 0.427 747 N N -0.192 118.515 118.700 0.012 0.000 2.331 747 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 747 N C 1.841 177.381 175.510 0.049 0.000 1.019 747 N CA 1.461 54.529 53.050 0.030 0.000 0.881 747 N CB -0.225 38.267 38.487 0.010 0.000 0.972 747 N HN 0.245 nan 8.380 nan 0.000 0.435 748 T N -0.729 113.855 114.554 0.050 0.000 3.086 748 T HA 0.119 4.469 4.350 -0.000 0.000 0.250 748 T C 1.345 176.069 174.700 0.040 0.000 1.074 748 T CA 0.401 62.530 62.100 0.049 0.000 0.988 748 T CB -0.004 68.893 68.868 0.048 0.000 0.988 748 T HN 0.053 nan 8.240 nan 0.000 0.530 749 T N 1.531 116.124 114.554 0.064 0.000 2.852 749 T HA 0.143 4.492 4.350 -0.000 0.000 0.256 749 T C 1.635 176.266 174.700 -0.116 0.000 1.038 749 T CA 0.678 62.792 62.100 0.023 0.000 1.141 749 T CB -0.230 68.766 68.868 0.213 0.000 0.869 749 T HN 0.223 nan 8.240 nan 0.000 0.439 750 L N 1.155 122.388 121.223 0.016 0.000 2.156 750 L HA 0.240 4.580 4.340 -0.000 0.000 0.208 750 L C 2.357 179.239 176.870 0.020 0.000 1.095 750 L CA 1.385 56.201 54.840 -0.040 0.000 0.770 750 L CB -0.709 41.351 42.059 0.002 0.000 0.914 750 L HN 0.308 nan 8.230 nan 0.000 0.439 751 G N -1.369 107.444 108.800 0.022 0.000 2.411 751 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.213 751 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.213 751 G C 1.260 176.192 174.900 0.053 0.000 1.166 751 G CA 0.406 45.529 45.100 0.039 0.000 0.802 751 G HN 0.479 nan 8.290 nan 0.000 0.533 752 A N -0.167 122.667 122.820 0.023 0.000 2.415 752 A HA 0.770 5.090 4.320 -0.000 0.000 0.248 752 A C 1.715 179.279 177.584 -0.033 0.000 1.299 752 A CA 1.108 53.160 52.037 0.024 0.000 0.899 752 A CB -0.115 18.902 19.000 0.028 0.000 0.997 752 A HN 0.567 nan 8.150 nan 0.000 0.506 753 A N -1.559 121.204 122.820 -0.095 0.000 1.971 753 A HA 0.336 4.656 4.320 -0.000 0.000 0.200 753 A C 1.503 178.997 177.584 -0.149 0.000 1.658 753 A CA 0.345 52.237 52.037 -0.241 0.000 0.962 753 A CB -0.475 18.006 19.000 -0.864 0.000 1.053 753 A HN 0.520 nan 8.150 nan 0.000 0.533 754 W N 0.266 121.471 121.300 -0.158 0.000 2.481 754 W HA 0.251 4.911 4.660 -0.000 0.000 0.293 754 W C 2.323 178.825 176.519 -0.028 0.000 1.201 754 W CA 1.259 58.559 57.345 -0.075 0.000 1.328 754 W CB -0.345 29.042 29.460 -0.121 0.000 1.112 754 W HN 0.365 nan 8.180 nan 0.000 0.546 755 G N -0.849 108.066 108.800 0.192 0.000 2.656 755 G HA2 0.420 4.380 3.960 -0.000 0.000 0.211 755 G HA3 0.420 4.380 3.960 -0.000 0.000 0.211 755 G C 0.615 175.577 174.900 0.103 0.000 1.137 755 G CA 0.497 45.666 45.100 0.115 0.000 0.802 755 G HN 0.467 nan 8.290 nan 0.000 0.527 756 G N -1.423 107.445 108.800 0.112 0.000 2.663 756 G HA2 0.308 4.268 3.960 -0.000 0.000 0.686 756 G HA3 0.308 4.268 3.960 -0.000 0.000 0.686 756 G C -0.604 174.419 174.900 0.206 0.000 1.246 756 G CA 0.045 45.233 45.100 0.147 0.000 0.795 756 G HN 1.113 nan 8.290 nan 0.000 0.627 757 S N -0.681 115.179 115.700 0.267 0.000 2.614 757 S HA 0.570 5.040 4.470 -0.000 0.000 0.275 757 S C -0.833 173.870 174.600 0.172 0.000 1.161 757 S CA -0.464 57.872 58.200 0.228 0.000 0.969 757 S CB 1.178 64.454 63.200 0.125 0.000 1.059 757 S HN 1.511 nan 8.310 nan 0.000 0.482 758 Y N 5.863 126.161 120.300 -0.004 0.000 2.584 758 Y HA 0.305 4.855 4.550 -0.000 0.000 0.351 758 Y C 0.870 176.672 175.900 -0.163 0.000 1.030 758 Y CA 0.407 58.343 58.100 -0.273 0.000 1.332 758 Y CB 0.223 38.576 38.460 -0.178 0.000 1.148 758 Y HN 0.513 nan 8.280 nan 0.000 0.528 759 V N 4.685 124.379 119.914 -0.367 0.000 2.326 759 V HA 0.034 4.154 4.120 -0.000 0.000 0.237 759 V C 0.342 176.313 176.094 -0.205 0.000 1.044 759 V CA 0.880 63.066 62.300 -0.190 0.000 1.035 759 V CB -0.399 31.330 31.823 -0.156 0.000 0.675 759 V HN 0.714 nan 8.190 nan 0.000 0.470 760 N N -1.808 116.680 118.700 -0.354 0.000 3.039 760 N HA 0.334 5.074 4.740 -0.000 0.000 0.257 760 N C -2.041 173.331 175.510 -0.230 0.000 1.497 760 N CA -0.620 52.313 53.050 -0.195 0.000 0.861 760 N CB 1.903 40.359 38.487 -0.052 0.000 1.479 760 N HN 0.109 nan 8.380 nan 0.000 0.547 761 D N 0.254 120.638 120.400 -0.026 0.000 2.198 761 D HA 0.448 5.088 4.640 -0.000 0.000 0.247 761 D C -0.837 175.593 176.300 0.216 0.000 1.010 761 D CA -0.064 53.980 54.000 0.073 0.000 0.880 761 D CB 1.410 42.256 40.800 0.076 0.000 1.209 761 D HN 0.423 nan 8.370 nan 0.000 0.451 762 F N -0.585 119.371 119.950 0.010 0.000 2.814 762 F HA 0.735 5.262 4.527 -0.000 0.000 0.353 762 F C -1.480 174.347 175.800 0.045 0.000 1.177 762 F CA -1.084 56.956 58.000 0.067 0.000 1.036 762 F CB 0.938 40.047 39.000 0.182 0.000 1.455 762 F HN 0.068 nan 8.300 nan 0.000 0.520 763 I N 1.229 121.534 120.570 -0.442 0.000 2.436 763 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 763 I C -1.617 174.152 176.117 -0.581 0.000 1.010 763 I CA -0.098 60.902 61.300 -0.501 0.000 1.098 763 I CB 1.766 39.673 38.000 -0.155 0.000 1.266 763 I HN 0.615 nan 8.210 nan 0.000 0.434 764 D N 5.734 125.791 120.400 -0.571 0.000 2.462 764 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 764 D C 0.143 176.392 176.300 -0.085 0.000 1.122 764 D CA -0.425 53.437 54.000 -0.230 0.000 0.864 764 D CB 0.641 41.341 40.800 -0.167 0.000 1.098 764 D HN 0.444 nan 8.370 nan 0.000 0.541 765 R N 3.257 123.745 120.500 -0.021 0.000 3.423 765 R HA -0.214 4.126 4.340 -0.000 0.000 0.271 765 R C 0.919 177.213 176.300 -0.010 0.000 1.093 765 R CA 0.995 57.100 56.100 0.008 0.000 0.730 765 R CB -1.507 28.820 30.300 0.045 0.000 1.190 765 R HN 0.958 nan 8.270 nan 0.000 0.437 766 G N -0.781 107.999 108.800 -0.035 0.000 2.490 766 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.214 766 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.214 766 G C 0.300 175.164 174.900 -0.060 0.000 1.151 766 G CA 0.291 45.369 45.100 -0.037 0.000 0.684 766 G HN 0.458 nan 8.290 nan 0.000 0.518 767 R N 0.178 120.636 120.500 -0.071 0.000 2.652 767 R HA 0.602 4.942 4.340 -0.000 0.000 0.272 767 R C -0.095 176.116 176.300 -0.147 0.000 1.162 767 R CA 0.359 56.408 56.100 -0.085 0.000 1.199 767 R CB 1.090 31.351 30.300 -0.065 0.000 1.166 767 R HN 0.739 nan 8.270 nan 0.000 0.597 768 V N 1.542 121.375 119.914 -0.134 0.000 2.483 768 V HA 0.462 4.582 4.120 -0.000 0.000 0.297 768 V C -1.149 174.861 176.094 -0.141 0.000 1.027 768 V CA -0.424 61.770 62.300 -0.176 0.000 0.855 768 V CB 1.388 33.155 31.823 -0.092 0.000 0.995 768 V HN 0.741 nan 8.190 nan 0.000 0.424 769 K N 4.574 124.837 120.400 -0.227 0.000 2.208 769 K HA 0.672 4.992 4.320 -0.000 0.000 0.240 769 K C -0.999 175.666 176.600 0.108 0.000 1.088 769 K CA -1.185 55.081 56.287 -0.035 0.000 0.902 769 K CB 1.827 34.333 32.500 0.011 0.000 1.355 769 K HN 0.594 nan 8.250 nan 0.000 0.526 770 K N 0.514 121.032 120.400 0.196 0.000 2.211 770 K HA 0.555 4.875 4.320 -0.000 0.000 0.237 770 K C -0.957 175.637 176.600 -0.010 0.000 1.002 770 K CA -0.905 55.403 56.287 0.035 0.000 0.885 770 K CB 1.696 34.201 32.500 0.008 0.000 1.136 770 K HN 0.128 nan 8.250 nan 0.000 0.448 771 V N 2.035 121.720 119.914 -0.381 0.000 2.482 771 V HA 0.328 4.448 4.120 -0.000 0.000 0.295 771 V C -1.429 174.339 176.094 -0.544 0.000 1.026 771 V CA -0.884 61.162 62.300 -0.424 0.000 0.856 771 V CB 0.615 32.223 31.823 -0.358 0.000 1.001 771 V HN 0.598 nan 8.190 nan 0.000 0.424 772 Y N 2.744 122.867 120.300 -0.295 0.000 2.587 772 Y HA 0.811 5.361 4.550 -0.000 0.000 0.337 772 Y C -0.022 175.722 175.900 -0.261 0.000 1.065 772 Y CA -0.891 57.075 58.100 -0.224 0.000 1.126 772 Y CB 2.349 40.714 38.460 -0.157 0.000 1.279 772 Y HN 0.365 nan 8.280 nan 0.000 0.489 773 V N 3.355 123.281 119.914 0.021 0.000 2.733 773 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 773 V C -0.454 175.641 176.094 0.001 0.000 1.084 773 V CA -0.395 61.870 62.300 -0.057 0.000 0.905 773 V CB 1.890 33.690 31.823 -0.038 0.000 1.010 773 V HN 0.962 nan 8.190 nan 0.000 0.424 774 M N 2.119 121.711 119.600 -0.014 0.000 2.135 774 M HA 0.434 4.913 4.480 -0.000 0.000 0.177 774 M C -0.894 175.502 176.300 0.160 0.000 2.107 774 M CA 0.302 55.645 55.300 0.071 0.000 1.057 774 M CB 1.846 34.520 32.600 0.124 0.000 1.553 774 M HN 0.771 nan 8.290 nan 0.000 0.635 775 S N 0.158 116.038 115.700 0.301 0.000 2.751 775 S HA 0.218 4.688 4.470 -0.000 0.000 0.289 775 S C -1.445 173.366 174.600 0.351 0.000 0.965 775 S CA -1.023 57.367 58.200 0.318 0.000 0.855 775 S CB 0.998 64.385 63.200 0.310 0.000 1.068 775 S HN 0.419 nan 8.310 nan 0.000 0.462 776 E N 0.664 121.008 120.200 0.240 0.000 2.437 776 E HA 0.255 4.604 4.350 -0.000 0.000 0.263 776 E C 1.623 178.224 176.600 0.003 0.000 1.030 776 E CA 0.408 56.855 56.400 0.079 0.000 0.934 776 E CB 0.602 30.401 29.700 0.165 0.000 0.943 776 E HN 0.787 nan 8.360 nan 0.000 0.444 777 A N 4.276 126.969 122.820 -0.212 0.000 1.908 777 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 777 A C 1.919 179.392 177.584 -0.184 0.000 1.181 777 A CA 2.206 54.108 52.037 -0.226 0.000 0.627 777 A CB -0.451 18.366 19.000 -0.304 0.000 0.818 777 A HN 0.717 nan 8.150 nan 0.000 0.445 778 K N -1.746 118.517 120.400 -0.229 0.000 2.283 778 K HA -0.109 4.210 4.320 -0.000 0.000 0.202 778 K C 0.778 177.124 176.600 -0.425 0.000 1.048 778 K CA 1.389 57.463 56.287 -0.354 0.000 0.948 778 K CB -0.414 31.796 32.500 -0.483 0.000 0.742 778 K HN 0.523 nan 8.250 nan 0.000 0.458 779 Y N 1.991 122.167 120.300 -0.206 0.000 2.495 779 Y HA 0.177 4.726 4.550 -0.000 0.000 0.293 779 Y C 0.211 175.900 175.900 -0.352 0.000 1.186 779 Y CA -0.364 57.585 58.100 -0.252 0.000 1.266 779 Y CB 0.258 38.528 38.460 -0.317 0.000 1.101 779 Y HN 0.175 nan 8.280 nan 0.000 0.517 780 R N -2.339 117.982 120.500 -0.299 0.000 2.470 780 R HA 0.259 4.599 4.340 -0.000 0.000 0.296 780 R C -0.255 175.937 176.300 -0.180 0.000 1.187 780 R CA 0.000 55.700 56.100 -0.668 0.000 1.310 780 R CB -0.574 29.118 30.300 -1.013 0.000 1.369 780 R HN 0.045 nan 8.270 nan 0.000 0.733 781 M N 0.160 119.725 119.600 -0.059 0.000 2.800 781 M HA 0.346 4.826 4.480 -0.000 0.000 0.257 781 M C 0.488 176.820 176.300 0.054 0.000 1.309 781 M CA 0.611 55.912 55.300 0.002 0.000 1.202 781 M CB -0.046 32.520 32.600 -0.056 0.000 1.273 781 M HN 0.226 nan 8.290 nan 0.000 0.528 782 L N 0.860 122.113 121.223 0.050 0.000 2.332 782 L HA 0.322 4.662 4.340 -0.000 0.000 0.269 782 L C -1.310 175.551 176.870 -0.015 0.000 1.016 782 L CA -1.760 53.090 54.840 0.017 0.000 0.809 782 L CB 0.960 43.024 42.059 0.008 0.000 1.280 782 L HN -0.065 nan 8.230 nan 0.000 0.447 783 P HA -0.059 nan 4.420 nan 0.000 0.229 783 P C 0.244 177.501 177.300 -0.072 0.000 1.160 783 P CA 0.900 63.757 63.100 -0.406 0.000 0.777 783 P CB 0.244 31.604 31.700 -0.566 0.000 0.814 784 D N -0.304 120.109 120.400 0.021 0.000 2.347 784 D HA -0.063 4.577 4.640 -0.000 0.000 0.213 784 D C 1.093 177.442 176.300 0.082 0.000 0.985 784 D CA 0.635 54.671 54.000 0.060 0.000 0.879 784 D CB -0.258 40.571 40.800 0.048 0.000 0.919 784 D HN 0.120 nan 8.370 nan 0.000 0.526 785 D N 0.094 120.571 120.400 0.128 0.000 2.328 785 D HA 0.052 4.692 4.640 -0.000 0.000 0.226 785 D C 1.821 178.322 176.300 0.335 0.000 1.066 785 D CA 0.100 54.202 54.000 0.168 0.000 0.861 785 D CB 0.389 41.264 40.800 0.125 0.000 0.912 785 D HN 0.338 nan 8.370 nan 0.000 0.521 786 I N 0.577 121.341 120.570 0.324 0.000 2.353 786 I HA -0.097 4.072 4.170 -0.000 0.000 0.248 786 I C 2.396 178.627 176.117 0.189 0.000 1.119 786 I CA 0.933 62.417 61.300 0.307 0.000 1.417 786 I CB -0.427 37.617 38.000 0.073 0.000 1.078 786 I HN -0.007 nan 8.210 nan 0.000 0.421 787 G N 0.529 109.395 108.800 0.109 0.000 2.598 787 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 787 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 787 G C 1.051 175.837 174.900 -0.190 0.000 1.131 787 G CA 0.319 45.418 45.100 -0.001 0.000 0.785 787 G HN 0.302 nan 8.290 nan 0.000 0.539 788 D N -0.119 120.208 120.400 -0.122 0.000 2.269 788 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 788 D C 0.386 176.413 176.300 -0.455 0.000 0.963 788 D CA 0.212 54.061 54.000 -0.251 0.000 0.864 788 D CB -0.006 40.689 40.800 -0.176 0.000 0.936 788 D HN 0.436 nan 8.370 nan 0.000 0.505 789 W N 0.334 121.477 121.300 -0.262 0.000 2.272 789 W HA 0.317 4.976 4.660 -0.000 0.000 0.318 789 W C -0.375 176.033 176.519 -0.184 0.000 1.255 789 W CA -0.559 56.707 57.345 -0.132 0.000 1.200 789 W CB 0.335 29.732 29.460 -0.106 0.000 1.170 789 W HN -0.178 nan 8.180 nan 0.000 0.549 790 Y N 2.196 122.749 120.300 0.421 0.000 2.332 790 Y HA 0.447 4.997 4.550 -0.000 0.000 0.326 790 Y C -0.035 176.074 175.900 0.348 0.000 0.978 790 Y CA -1.287 57.016 58.100 0.337 0.000 1.205 790 Y CB 0.835 39.407 38.460 0.186 0.000 1.131 790 Y HN -0.020 nan 8.280 nan 0.000 0.462 791 V N 4.239 124.448 119.914 0.492 0.000 2.546 791 V HA 0.344 4.464 4.120 -0.000 0.000 0.284 791 V C 0.236 176.494 176.094 0.273 0.000 1.050 791 V CA -0.863 61.657 62.300 0.366 0.000 0.981 791 V CB 1.264 33.283 31.823 0.327 0.000 0.990 791 V HN 0.753 nan 8.190 nan 0.000 0.474 792 R N 3.943 124.564 120.500 0.202 0.000 2.441 792 R HA 0.645 4.985 4.340 -0.000 0.000 0.284 792 R C -0.141 176.225 176.300 0.111 0.000 1.070 792 R CA 0.102 56.289 56.100 0.146 0.000 1.047 792 R CB 0.911 31.282 30.300 0.118 0.000 1.016 792 R HN 0.814 nan 8.270 nan 0.000 0.477 793 A N 2.863 125.740 122.820 0.094 0.000 2.269 793 A HA 0.592 4.912 4.320 -0.000 0.000 0.327 793 A C 0.939 178.552 177.584 0.049 0.000 1.112 793 A CA -0.275 51.802 52.037 0.067 0.000 0.865 793 A CB 1.057 20.099 19.000 0.071 0.000 1.227 793 A HN 0.999 nan 8.150 nan 0.000 0.498 794 A N -0.001 122.840 122.820 0.034 0.000 2.024 794 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 794 A C 0.850 178.450 177.584 0.026 0.000 1.164 794 A CA 1.990 54.043 52.037 0.026 0.000 0.643 794 A CB -0.918 18.092 19.000 0.017 0.000 0.806 794 A HN 0.896 nan 8.150 nan 0.000 0.451 795 D N -1.719 118.698 120.400 0.029 0.000 2.881 795 D HA 0.401 5.041 4.640 -0.000 0.000 0.240 795 D C 0.805 177.122 176.300 0.029 0.000 1.249 795 D CA 0.195 54.211 54.000 0.026 0.000 0.839 795 D CB -0.805 40.010 40.800 0.024 0.000 1.042 795 D HN 0.371 nan 8.370 nan 0.000 0.475 796 G N 1.568 110.387 108.800 0.032 0.000 2.396 796 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.288 796 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.288 796 G C -0.250 174.669 174.900 0.031 0.000 0.926 796 G CA 0.875 45.995 45.100 0.032 0.000 1.211 796 G HN 0.774 nan 8.290 nan 0.000 0.496 797 Q N -1.832 117.993 119.800 0.041 0.000 2.426 797 Q HA 0.745 5.085 4.340 -0.000 0.000 0.278 797 Q C -0.419 175.618 176.000 0.062 0.000 1.007 797 Q CA -1.261 54.564 55.803 0.037 0.000 0.850 797 Q CB 0.833 29.588 28.738 0.028 0.000 1.427 797 Q HN 0.115 nan 8.270 nan 0.000 0.391 798 M N 1.274 120.904 119.600 0.050 0.000 2.240 798 M HA 0.537 5.017 4.480 -0.000 0.000 0.333 798 M C -1.156 175.236 176.300 0.154 0.000 1.110 798 M CA 0.046 55.404 55.300 0.097 0.000 1.173 798 M CB 1.481 34.078 32.600 -0.005 0.000 1.458 798 M HN 0.590 nan 8.290 nan 0.000 0.458 799 V N 4.525 124.598 119.914 0.265 0.000 2.612 799 V HA 0.478 4.598 4.120 -0.000 0.000 0.301 799 V C -2.376 173.908 176.094 0.317 0.000 1.059 799 V CA -1.404 61.051 62.300 0.259 0.000 0.886 799 V CB 1.741 33.708 31.823 0.240 0.000 1.007 799 V HN 0.741 nan 8.190 nan 0.000 0.426 800 P HA 0.277 nan 4.420 nan 0.000 0.274 800 P C 0.612 177.753 177.300 -0.265 0.000 1.246 800 P CA -0.194 62.914 63.100 0.013 0.000 0.795 800 P CB 1.216 32.933 31.700 0.028 0.000 1.006 801 F N 0.767 120.493 119.950 -0.374 0.000 2.234 801 F HA -0.184 4.342 4.527 -0.000 0.000 0.299 801 F C 2.631 178.065 175.800 -0.610 0.000 1.087 801 F CA 2.037 59.732 58.000 -0.508 0.000 1.340 801 F CB -0.284 38.672 39.000 -0.074 0.000 1.031 801 F HN 0.295 nan 8.300 nan 0.000 0.500 802 S N -0.008 115.584 115.700 -0.181 0.000 2.442 802 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 802 S C 2.117 176.587 174.600 -0.217 0.000 1.007 802 S CA 0.689 58.809 58.200 -0.134 0.000 0.965 802 S CB -0.750 62.423 63.200 -0.045 0.000 0.773 802 S HN 0.298 nan 8.310 nan 0.000 0.504 803 A N 2.225 124.825 122.820 -0.368 0.000 1.845 803 A HA 0.098 4.418 4.320 -0.000 0.000 0.215 803 A C 1.979 179.446 177.584 -0.195 0.000 1.195 803 A CA 1.481 53.362 52.037 -0.260 0.000 0.616 803 A CB -1.002 17.862 19.000 -0.227 0.000 0.832 803 A HN 0.851 nan 8.150 nan 0.000 0.443 804 F N -0.024 119.893 119.950 -0.055 0.000 2.746 804 F HA 0.299 4.826 4.527 -0.000 0.000 0.297 804 F C 1.140 176.892 175.800 -0.080 0.000 1.113 804 F CA 0.013 57.966 58.000 -0.080 0.000 1.367 804 F CB -0.480 38.445 39.000 -0.125 0.000 1.111 804 F HN 0.155 nan 8.300 nan 0.000 0.590 805 S N 0.281 116.005 115.700 0.040 0.000 2.707 805 S HA 0.590 5.060 4.470 -0.000 0.000 0.276 805 S C -0.072 174.547 174.600 0.032 0.000 1.179 805 S CA -0.303 57.957 58.200 0.100 0.000 0.992 805 S CB 1.614 64.893 63.200 0.132 0.000 1.030 805 S HN 0.230 nan 8.310 nan 0.000 0.554 806 S N 0.805 116.513 115.700 0.013 0.000 2.737 806 S HA 0.446 4.916 4.470 -0.000 0.000 0.269 806 S C -0.630 173.915 174.600 -0.092 0.000 1.150 806 S CA -0.554 57.630 58.200 -0.026 0.000 1.077 806 S CB 0.582 63.765 63.200 -0.029 0.000 1.075 806 S HN 1.201 nan 8.310 nan 0.000 0.476 807 S N 4.977 120.626 115.700 -0.084 0.000 2.523 807 S HA 0.754 5.224 4.470 -0.000 0.000 0.275 807 S C -0.245 174.185 174.600 -0.284 0.000 1.281 807 S CA -0.554 57.517 58.200 -0.216 0.000 1.050 807 S CB 0.095 63.322 63.200 0.045 0.000 0.937 807 S HN 0.945 nan 8.310 nan 0.000 0.492 808 R N 2.459 122.608 120.500 -0.585 0.000 2.633 808 R HA 0.333 4.673 4.340 -0.000 0.000 0.256 808 R C -1.816 174.183 176.300 -0.501 0.000 1.131 808 R CA -0.912 54.977 56.100 -0.352 0.000 0.994 808 R CB -0.049 30.143 30.300 -0.179 0.000 1.261 808 R HN 0.576 nan 8.270 nan 0.000 0.446 809 W N 1.659 122.795 121.300 -0.272 0.000 2.129 809 W HA 0.453 5.113 4.660 -0.000 0.000 0.349 809 W C 0.708 177.116 176.519 -0.185 0.000 1.279 809 W CA 0.314 57.534 57.345 -0.209 0.000 1.306 809 W CB 0.812 30.208 29.460 -0.108 0.000 1.140 809 W HN 0.642 nan 8.180 nan 0.000 0.613 810 E N -0.702 119.553 120.200 0.091 0.000 2.442 810 E HA 0.341 4.691 4.350 -0.000 0.000 0.271 810 E C -2.005 174.575 176.600 -0.033 0.000 1.002 810 E CA -0.999 55.415 56.400 0.022 0.000 0.864 810 E CB 1.623 31.325 29.700 0.002 0.000 1.573 810 E HN 0.275 nan 8.360 nan 0.000 0.456 811 Y N -0.171 120.179 120.300 0.084 0.000 2.363 811 Y HA 0.557 5.107 4.550 -0.000 0.000 0.325 811 Y C 0.212 176.146 175.900 0.057 0.000 0.984 811 Y CA -0.305 57.839 58.100 0.075 0.000 1.248 811 Y CB 1.737 40.223 38.460 0.043 0.000 1.116 811 Y HN 0.587 nan 8.280 nan 0.000 0.470 812 G N 0.483 109.442 108.800 0.265 0.000 3.075 812 G HA2 0.549 4.509 3.960 -0.000 0.000 0.253 812 G HA3 0.549 4.509 3.960 -0.000 0.000 0.253 812 G C -1.175 173.865 174.900 0.234 0.000 1.353 812 G CA -0.902 44.322 45.100 0.206 0.000 1.051 812 G HN 0.392 nan 8.290 nan 0.000 0.553 813 S N -0.380 115.463 115.700 0.238 0.000 2.521 813 S HA 0.619 5.089 4.470 -0.000 0.000 0.295 813 S C -2.017 172.663 174.600 0.133 0.000 1.098 813 S CA -1.491 56.842 58.200 0.221 0.000 0.999 813 S CB 2.338 65.740 63.200 0.337 0.000 1.034 813 S HN 0.312 nan 8.310 nan 0.000 0.483 814 P HA 0.157 nan 4.420 nan 0.000 0.253 814 P C -0.231 177.106 177.300 0.063 0.000 1.260 814 P CA 0.173 63.324 63.100 0.085 0.000 0.800 814 P CB -0.156 31.599 31.700 0.090 0.000 1.162 815 R N 0.659 121.187 120.500 0.046 0.000 2.772 815 R HA 0.329 4.669 4.340 -0.000 0.000 0.288 815 R C -1.408 174.873 176.300 -0.032 0.000 1.365 815 R CA -0.395 55.719 56.100 0.023 0.000 1.023 815 R CB 0.267 30.592 30.300 0.042 0.000 1.261 815 R HN -0.104 nan 8.270 nan 0.000 0.422 816 L N 4.129 125.318 121.223 -0.057 0.000 2.288 816 L HA 0.423 4.763 4.340 -0.000 0.000 0.283 816 L C -0.084 176.747 176.870 -0.066 0.000 1.072 816 L CA -0.635 54.127 54.840 -0.131 0.000 0.862 816 L CB 1.249 43.227 42.059 -0.135 0.000 1.245 816 L HN 0.550 nan 8.230 nan 0.000 0.432 817 E N 3.690 123.855 120.200 -0.058 0.000 2.366 817 E HA 0.415 4.765 4.350 -0.000 0.000 0.266 817 E C -0.568 176.029 176.600 -0.005 0.000 1.051 817 E CA -0.326 56.068 56.400 -0.011 0.000 0.884 817 E CB 0.926 30.625 29.700 -0.000 0.000 1.006 817 E HN 0.418 nan 8.360 nan 0.000 0.417 818 R N 2.483 123.001 120.500 0.030 0.000 2.515 818 R HA 0.259 4.599 4.340 -0.000 0.000 0.291 818 R C -1.492 174.865 176.300 0.095 0.000 1.046 818 R CA -0.882 55.245 56.100 0.044 0.000 0.914 818 R CB 1.206 31.516 30.300 0.017 0.000 1.191 818 R HN 0.548 nan 8.270 nan 0.000 0.435 819 Y N 3.812 124.093 120.300 -0.033 0.000 2.369 819 Y HA 0.207 4.756 4.550 -0.000 0.000 0.337 819 Y C 0.019 175.906 175.900 -0.021 0.000 0.961 819 Y CA -0.600 57.482 58.100 -0.030 0.000 1.186 819 Y CB 0.819 39.238 38.460 -0.069 0.000 1.139 819 Y HN 0.737 nan 8.280 nan 0.000 0.494 820 N N 4.760 123.196 118.700 -0.440 0.000 2.771 820 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 820 N C 0.739 176.147 175.510 -0.170 0.000 1.069 820 N CA 1.275 54.086 53.050 -0.400 0.000 0.688 820 N CB -1.144 36.985 38.487 -0.596 0.000 0.928 820 N HN 1.370 nan 8.380 nan 0.000 0.551 821 G N -1.200 107.536 108.800 -0.107 0.000 2.189 821 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.267 821 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.267 821 G C 0.008 174.890 174.900 -0.030 0.000 0.975 821 G CA 0.912 45.978 45.100 -0.057 0.000 0.644 821 G HN 0.480 nan 8.290 nan 0.000 0.537 822 L N 0.313 121.524 121.223 -0.019 0.000 2.371 822 L HA 0.596 4.936 4.340 -0.000 0.000 0.262 822 L C -2.215 174.668 176.870 0.022 0.000 1.006 822 L CA -2.755 52.089 54.840 0.005 0.000 0.818 822 L CB 2.458 44.524 42.059 0.012 0.000 1.354 822 L HN -0.170 nan 8.230 nan 0.000 0.415 823 P HA 0.205 nan 4.420 nan 0.000 0.272 823 P C -0.744 176.569 177.300 0.021 0.000 1.223 823 P CA -0.082 63.027 63.100 0.014 0.000 0.784 823 P CB 1.671 33.378 31.700 0.011 0.000 0.923 824 S N 0.331 116.035 115.700 0.006 0.000 2.636 824 S HA 0.685 5.155 4.470 -0.000 0.000 0.268 824 S C -1.408 173.176 174.600 -0.027 0.000 1.159 824 S CA -0.620 57.575 58.200 -0.009 0.000 0.815 824 S CB 0.832 64.034 63.200 0.005 0.000 1.130 824 S HN 0.364 nan 8.310 nan 0.000 0.471 825 M N 2.259 121.832 119.600 -0.046 0.000 2.149 825 M HA 0.340 4.820 4.480 -0.000 0.000 0.273 825 M C -0.937 175.327 176.300 -0.060 0.000 0.972 825 M CA -0.388 54.893 55.300 -0.031 0.000 0.984 825 M CB 1.968 34.572 32.600 0.007 0.000 1.699 825 M HN 0.658 nan 8.290 nan 0.000 0.462 826 E N 3.875 124.045 120.200 -0.051 0.000 2.360 826 E HA 0.320 4.670 4.350 -0.000 0.000 0.269 826 E C -1.115 175.474 176.600 -0.019 0.000 1.022 826 E CA -0.245 56.116 56.400 -0.065 0.000 0.887 826 E CB 0.855 30.527 29.700 -0.046 0.000 0.990 826 E HN 0.470 nan 8.360 nan 0.000 0.426 827 I N 6.085 126.657 120.570 0.003 0.000 2.411 827 I HA 0.185 4.355 4.170 -0.000 0.000 0.284 827 I C -0.436 175.710 176.117 0.048 0.000 1.012 827 I CA -0.599 60.740 61.300 0.065 0.000 1.119 827 I CB 0.915 39.024 38.000 0.181 0.000 1.261 827 I HN 0.569 nan 8.210 nan 0.000 0.448 828 L N 6.177 127.387 121.223 -0.022 0.000 2.315 828 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 828 L C 0.951 177.687 176.870 -0.224 0.000 1.088 828 L CA -0.116 54.660 54.840 -0.107 0.000 0.899 828 L CB 0.688 42.693 42.059 -0.090 0.000 1.277 828 L HN 0.742 nan 8.230 nan 0.000 0.431 829 G N 2.135 110.652 108.800 -0.472 0.000 2.606 829 G HA2 0.614 4.574 3.960 -0.000 0.000 0.262 829 G HA3 0.614 4.574 3.960 -0.000 0.000 0.262 829 G C -0.976 173.294 174.900 -1.050 0.000 1.394 829 G CA -0.162 44.479 45.100 -0.765 0.000 1.044 829 G HN 0.488 nan 8.290 nan 0.000 0.553 830 Q N -2.746 116.493 119.800 -0.934 0.000 2.756 830 Q HA 0.514 4.854 4.340 -0.000 0.000 0.295 830 Q C -0.961 175.024 176.000 -0.026 0.000 0.903 830 Q CA -0.797 54.739 55.803 -0.444 0.000 0.768 830 Q CB 1.892 30.480 28.738 -0.249 0.000 1.472 830 Q HN 0.896 nan 8.270 nan 0.000 0.416 831 A N 0.513 123.361 122.820 0.048 0.000 2.271 831 A HA 0.850 5.170 4.320 -0.000 0.000 0.288 831 A C -0.309 177.289 177.584 0.022 0.000 1.094 831 A CA 0.341 52.433 52.037 0.092 0.000 0.828 831 A CB 0.596 19.645 19.000 0.081 0.000 1.091 831 A HN 0.706 nan 8.150 nan 0.000 0.493 832 A N 0.818 123.648 122.820 0.016 0.000 2.296 832 A HA 0.593 4.913 4.320 -0.000 0.000 0.264 832 A C -1.173 176.402 177.584 -0.014 0.000 1.097 832 A CA -0.976 51.056 52.037 -0.008 0.000 0.811 832 A CB -0.365 18.628 19.000 -0.013 0.000 1.072 832 A HN 0.617 nan 8.150 nan 0.000 0.495 833 P HA -0.080 nan 4.420 nan 0.000 0.220 833 P C 1.332 178.619 177.300 -0.022 0.000 1.148 833 P CA 1.806 64.891 63.100 -0.024 0.000 0.803 833 P CB 0.001 31.685 31.700 -0.026 0.000 0.782 834 G N 0.259 109.049 108.800 -0.018 0.000 2.473 834 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.212 834 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.212 834 G C 0.819 175.712 174.900 -0.013 0.000 1.211 834 G CA 0.120 45.211 45.100 -0.016 0.000 0.813 834 G HN 0.201 nan 8.290 nan 0.000 0.541 835 K N 0.374 120.769 120.400 -0.009 0.000 2.156 835 K HA 0.389 4.709 4.320 -0.000 0.000 0.242 835 K C -0.413 176.189 176.600 0.003 0.000 1.033 835 K CA 0.587 56.872 56.287 -0.003 0.000 0.878 835 K CB 0.765 33.264 32.500 -0.001 0.000 1.057 835 K HN 0.367 nan 8.250 nan 0.000 0.505 836 S N -0.390 115.315 115.700 0.009 0.000 2.446 836 S HA 0.209 4.679 4.470 -0.000 0.000 0.230 836 S C 0.053 174.668 174.600 0.025 0.000 1.051 836 S CA -0.364 57.846 58.200 0.017 0.000 1.113 836 S CB 0.982 64.184 63.200 0.004 0.000 1.184 836 S HN 0.794 nan 8.310 nan 0.000 0.435 837 T N 3.099 117.682 114.554 0.050 0.000 13.579 837 T HA -0.322 4.028 4.350 -0.000 0.000 0.419 837 T C 1.765 176.455 174.700 -0.017 0.000 1.441 837 T CA 2.228 64.355 62.100 0.046 0.000 2.351 837 T CB -1.850 67.049 68.868 0.052 0.000 2.790 837 T HN 1.427 nan 8.240 nan 0.000 0.520 838 G N 1.256 110.048 108.800 -0.013 0.000 2.469 838 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 838 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 838 G C 1.240 176.107 174.900 -0.055 0.000 1.136 838 G CA 1.702 46.779 45.100 -0.037 0.000 0.759 838 G HN 0.797 nan 8.290 nan 0.000 0.562 839 E N 0.372 120.551 120.200 -0.035 0.000 2.112 839 E HA 0.100 4.450 4.350 -0.000 0.000 0.190 839 E C 2.904 179.468 176.600 -0.060 0.000 0.979 839 E CA 0.557 56.935 56.400 -0.037 0.000 0.814 839 E CB -0.127 29.561 29.700 -0.019 0.000 0.762 839 E HN 0.408 nan 8.360 nan 0.000 0.460 840 A N 0.870 123.657 122.820 -0.054 0.000 2.015 840 A HA -0.132 4.187 4.320 -0.000 0.000 0.219 840 A C 2.081 179.519 177.584 -0.243 0.000 1.163 840 A CA 1.140 53.129 52.037 -0.079 0.000 0.646 840 A CB -0.327 18.714 19.000 0.068 0.000 0.806 840 A HN 0.122 nan 8.150 nan 0.000 0.448 841 M N -0.660 118.790 119.600 -0.251 0.000 2.193 841 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 841 M C 1.985 178.218 176.300 -0.112 0.000 1.071 841 M CA 1.678 56.806 55.300 -0.287 0.000 1.140 841 M CB -0.221 32.044 32.600 -0.558 0.000 1.369 841 M HN 0.637 nan 8.290 nan 0.000 0.423 842 E N 0.522 120.656 120.200 -0.110 0.000 2.358 842 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 842 E C 1.288 177.843 176.600 -0.075 0.000 1.010 842 E CA 0.968 57.335 56.400 -0.056 0.000 0.856 842 E CB -0.290 29.387 29.700 -0.038 0.000 0.795 842 E HN 0.424 nan 8.360 nan 0.000 0.504 843 L N 0.059 121.217 121.223 -0.107 0.000 2.653 843 L HA 0.290 4.630 4.340 -0.000 0.000 0.231 843 L C 1.555 178.320 176.870 -0.176 0.000 1.153 843 L CA 0.112 54.891 54.840 -0.102 0.000 0.933 843 L CB 0.200 42.218 42.059 -0.069 0.000 1.175 843 L HN 0.243 nan 8.230 nan 0.000 0.473 844 M N -1.733 117.696 119.600 -0.285 0.000 2.331 844 M HA 0.107 4.587 4.480 -0.000 0.000 0.266 844 M C 1.369 177.316 176.300 -0.590 0.000 1.055 844 M CA 0.555 55.559 55.300 -0.492 0.000 1.048 844 M CB 0.491 32.624 32.600 -0.779 0.000 1.460 844 M HN 0.222 nan 8.290 nan 0.000 0.519 845 E N 0.754 120.725 120.200 -0.381 0.000 2.170 845 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 845 E C 1.650 178.094 176.600 -0.260 0.000 0.981 845 E CA 0.921 57.069 56.400 -0.420 0.000 0.830 845 E CB 0.210 29.831 29.700 -0.132 0.000 0.775 845 E HN 0.513 nan 8.360 nan 0.000 0.470 846 Q N 0.291 120.004 119.800 -0.145 0.000 2.435 846 Q HA -0.001 4.339 4.340 -0.000 0.000 0.207 846 Q C 1.711 177.661 176.000 -0.083 0.000 0.956 846 Q CA 0.811 56.570 55.803 -0.073 0.000 0.917 846 Q CB -0.243 28.474 28.738 -0.036 0.000 0.997 846 Q HN 0.241 nan 8.270 nan 0.000 0.497 847 L N -0.271 120.869 121.223 -0.137 0.000 2.307 847 L HA 0.234 4.574 4.340 -0.000 0.000 0.211 847 L C 2.095 178.888 176.870 -0.129 0.000 1.099 847 L CA 0.773 55.543 54.840 -0.116 0.000 0.816 847 L CB -0.456 41.527 42.059 -0.126 0.000 0.952 847 L HN 0.371 nan 8.230 nan 0.000 0.455 848 A N 0.008 122.698 122.820 -0.216 0.000 2.119 848 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 848 A C 2.209 179.807 177.584 0.023 0.000 1.152 848 A CA 1.328 53.282 52.037 -0.138 0.000 0.708 848 A CB -0.249 18.541 19.000 -0.350 0.000 0.805 848 A HN 0.451 nan 8.150 nan 0.000 0.460 849 S N -1.720 113.991 115.700 0.019 0.000 2.557 849 S HA 0.248 4.718 4.470 -0.000 0.000 0.223 849 S C 0.938 175.563 174.600 0.042 0.000 0.969 849 S CA 0.052 58.306 58.200 0.089 0.000 0.927 849 S CB -0.000 63.272 63.200 0.120 0.000 0.806 849 S HN 0.442 nan 8.310 nan 0.000 0.489 850 K N 0.658 121.065 120.400 0.012 0.000 2.397 850 K HA 0.418 4.738 4.320 -0.000 0.000 0.202 850 K C -0.536 176.067 176.600 0.006 0.000 1.022 850 K CA -0.115 56.173 56.287 0.002 0.000 1.141 850 K CB 0.173 32.662 32.500 -0.018 0.000 0.857 850 K HN 0.371 nan 8.250 nan 0.000 0.514 851 L N 0.591 121.826 121.223 0.019 0.000 2.331 851 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 851 L C -1.968 174.916 176.870 0.023 0.000 1.015 851 L CA -2.214 52.638 54.840 0.020 0.000 0.807 851 L CB 0.338 42.414 42.059 0.029 0.000 1.293 851 L HN -0.063 nan 8.230 nan 0.000 0.451 852 P HA 0.082 nan 4.420 nan 0.000 0.272 852 P C -0.741 176.571 177.300 0.020 0.000 1.248 852 P CA -0.358 62.751 63.100 0.016 0.000 0.799 852 P CB 0.145 31.852 31.700 0.012 0.000 0.997 853 T N -0.080 114.484 114.554 0.016 0.000 2.900 853 T HA 0.390 4.740 4.350 -0.000 0.000 0.307 853 T C 1.081 175.791 174.700 0.016 0.000 1.065 853 T CA 0.869 62.979 62.100 0.016 0.000 1.105 853 T CB -0.007 68.868 68.868 0.012 0.000 0.979 853 T HN 0.839 nan 8.240 nan 0.000 0.544 854 G N 0.682 109.491 108.800 0.015 0.000 2.160 854 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.244 854 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.244 854 G C -0.103 174.808 174.900 0.018 0.000 1.022 854 G CA -0.107 45.001 45.100 0.014 0.000 0.741 854 G HN 0.808 nan 8.290 nan 0.000 0.508 855 V N -0.027 119.902 119.914 0.025 0.000 2.509 855 V HA 0.751 4.871 4.120 -0.000 0.000 0.289 855 V C 0.783 176.912 176.094 0.057 0.000 1.026 855 V CA 0.143 62.465 62.300 0.036 0.000 0.872 855 V CB 1.231 33.079 31.823 0.041 0.000 1.017 855 V HN 0.808 nan 8.190 nan 0.000 0.436 856 G N 3.763 112.586 108.800 0.039 0.000 3.039 856 G HA2 0.819 4.779 3.960 -0.000 0.000 0.159 856 G HA3 0.819 4.779 3.960 -0.000 0.000 0.159 856 G C -1.080 173.886 174.900 0.110 0.000 1.284 856 G CA -0.412 44.714 45.100 0.042 0.000 0.996 856 G HN 0.881 nan 8.290 nan 0.000 0.592 857 Y N -2.391 117.844 120.300 -0.108 0.000 2.641 857 Y HA 0.725 5.275 4.550 -0.000 0.000 0.333 857 Y C -2.002 173.720 175.900 -0.296 0.000 1.174 857 Y CA -1.454 56.473 58.100 -0.288 0.000 1.057 857 Y CB 1.899 40.196 38.460 -0.273 0.000 1.322 857 Y HN 0.492 nan 8.280 nan 0.000 0.457 858 D N 1.375 121.554 120.400 -0.369 0.000 2.966 858 D HA 0.138 4.778 4.640 -0.000 0.000 0.222 858 D C -1.999 174.009 176.300 -0.487 0.000 1.292 858 D CA -0.363 53.462 54.000 -0.290 0.000 0.907 858 D CB 1.362 42.081 40.800 -0.134 0.000 1.621 858 D HN 0.724 nan 8.370 nan 0.000 0.557 859 W N 3.073 124.229 121.300 -0.239 0.000 2.745 859 W HA 0.186 4.846 4.660 -0.000 0.000 0.370 859 W C 0.396 176.676 176.519 -0.398 0.000 1.274 859 W CA 0.056 57.244 57.345 -0.261 0.000 1.502 859 W CB 0.422 29.807 29.460 -0.125 0.000 1.589 859 W HN 0.018 nan 8.180 nan 0.000 0.482 860 T N 2.396 116.721 114.554 -0.382 0.000 2.807 860 T HA 0.673 5.023 4.350 -0.000 0.000 0.279 860 T C 0.365 174.928 174.700 -0.228 0.000 0.993 860 T CA -0.711 61.094 62.100 -0.492 0.000 0.970 860 T CB 1.697 70.057 68.868 -0.846 0.000 0.950 860 T HN 0.491 nan 8.240 nan 0.000 0.441 861 G N 2.110 110.812 108.800 -0.163 0.000 4.695 861 G HA2 0.259 4.219 3.960 -0.000 0.000 0.229 861 G HA3 0.259 4.219 3.960 -0.000 0.000 0.229 861 G C 0.020 174.880 174.900 -0.065 0.000 2.630 861 G CA -0.311 44.618 45.100 -0.286 0.000 0.626 861 G HN 0.644 nan 8.290 nan 0.000 0.234 862 M N 1.138 120.743 119.600 0.009 0.000 2.289 862 M HA 0.263 4.743 4.480 -0.000 0.000 0.335 862 M C 0.087 176.441 176.300 0.090 0.000 0.961 862 M CA 0.359 55.711 55.300 0.086 0.000 1.018 862 M CB 0.931 33.619 32.600 0.146 0.000 1.678 862 M HN 0.428 nan 8.290 nan 0.000 0.589 863 S N 0.636 116.363 115.700 0.046 0.000 2.789 863 S HA 0.571 5.041 4.470 -0.000 0.000 0.286 863 S C -0.752 173.763 174.600 -0.141 0.000 1.153 863 S CA -0.751 57.460 58.200 0.017 0.000 1.084 863 S CB 0.607 63.787 63.200 -0.033 0.000 1.036 863 S HN 0.524 nan 8.310 nan 0.000 0.484 864 Y N 0.496 120.792 120.300 -0.007 0.000 2.727 864 Y HA 0.787 5.337 4.550 -0.000 0.000 0.227 864 Y C -1.201 174.706 175.900 0.012 0.000 2.272 864 Y CA -1.417 56.673 58.100 -0.015 0.000 0.946 864 Y CB 0.639 39.059 38.460 -0.066 0.000 2.481 864 Y HN 0.481 nan 8.280 nan 0.000 0.364 865 Q N 1.489 121.445 119.800 0.260 0.000 4.095 865 Q HA 0.236 4.575 4.340 -0.000 0.000 0.145 865 Q C -2.057 173.835 176.000 -0.180 0.000 0.849 865 Q CA -0.307 55.553 55.803 0.096 0.000 0.832 865 Q CB 0.476 29.279 28.738 0.108 0.000 1.511 865 Q HN 0.592 nan 8.270 nan 0.000 0.477 866 E N 0.302 120.182 120.200 -0.533 0.000 7.068 866 E HA -0.173 4.177 4.350 -0.000 0.000 0.216 866 E C -0.304 175.996 176.600 -0.500 0.000 1.080 866 E CA 0.288 56.378 56.400 -0.518 0.000 1.549 866 E CB -0.403 29.165 29.700 -0.220 0.000 0.929 866 E HN 0.481 nan 8.360 nan 0.000 0.281 867 R N 1.429 121.546 120.500 -0.640 0.000 2.745 867 R HA 0.425 4.765 4.340 -0.000 0.000 0.251 867 R C 1.787 178.001 176.300 -0.143 0.000 1.257 867 R CA -0.100 55.791 56.100 -0.349 0.000 1.102 867 R CB 0.150 30.296 30.300 -0.257 0.000 1.151 867 R HN 0.485 nan 8.270 nan 0.000 0.571 868 L N -0.941 120.257 121.223 -0.041 0.000 2.614 868 L HA 0.203 4.543 4.340 -0.000 0.000 0.185 868 L C 1.063 178.017 176.870 0.141 0.000 1.098 868 L CA 0.012 54.916 54.840 0.107 0.000 0.852 868 L CB -0.532 41.635 42.059 0.179 0.000 1.213 868 L HN 0.450 nan 8.230 nan 0.000 0.491 869 S N 1.040 116.816 115.700 0.127 0.000 2.701 869 S HA 0.609 5.079 4.470 -0.000 0.000 0.317 869 S C 0.221 174.864 174.600 0.071 0.000 1.149 869 S CA 0.142 58.413 58.200 0.118 0.000 1.052 869 S CB -0.380 62.880 63.200 0.101 0.000 1.257 869 S HN 0.639 nan 8.310 nan 0.000 0.532 870 G N 3.920 112.767 108.800 0.078 0.000 2.343 870 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.465 870 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.465 870 G C 0.043 174.952 174.900 0.014 0.000 1.282 870 G CA -0.165 44.961 45.100 0.043 0.000 0.996 870 G HN 0.749 nan 8.290 nan 0.000 0.521 871 N N -0.382 118.310 118.700 -0.013 0.000 1.555 871 N HA -0.459 4.281 4.740 -0.000 0.000 0.117 871 N C 2.040 177.534 175.510 -0.026 0.000 0.205 871 N CA 3.197 56.227 53.050 -0.034 0.000 1.226 871 N CB -0.768 37.666 38.487 -0.089 0.000 0.869 871 N HN 0.994 nan 8.380 nan 0.000 1.086 872 Q N 0.732 120.510 119.800 -0.037 0.000 1.975 872 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 872 Q C 2.260 178.241 176.000 -0.032 0.000 0.990 872 Q CA 2.376 58.161 55.803 -0.029 0.000 0.845 872 Q CB -0.447 28.288 28.738 -0.005 0.000 0.913 872 Q HN 0.557 nan 8.270 nan 0.000 0.420 873 A N 0.991 123.804 122.820 -0.012 0.000 1.896 873 A HA -0.220 4.099 4.320 -0.000 0.000 0.220 873 A C -0.307 177.331 177.584 0.089 0.000 1.206 873 A CA 2.051 54.081 52.037 -0.011 0.000 0.647 873 A CB -2.049 17.034 19.000 0.137 0.000 0.828 873 A HN 0.496 nan 8.150 nan 0.000 0.455 874 P HA -0.163 nan 4.420 nan 0.000 0.217 874 P C 1.747 179.087 177.300 0.066 0.000 1.162 874 P CA 2.138 65.302 63.100 0.107 0.000 0.901 874 P CB -0.256 31.480 31.700 0.060 0.000 0.793 875 S N -1.121 114.588 115.700 0.016 0.000 2.402 875 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 875 S C 1.873 176.465 174.600 -0.014 0.000 1.021 875 S CA 0.936 59.134 58.200 -0.003 0.000 0.974 875 S CB -0.968 62.220 63.200 -0.021 0.000 0.800 875 S HN 0.100 nan 8.310 nan 0.000 0.484 876 L N -0.581 120.598 121.223 -0.073 0.000 2.072 876 L HA -0.066 4.273 4.340 -0.000 0.000 0.205 876 L C 2.022 178.787 176.870 -0.175 0.000 1.079 876 L CA 1.363 56.107 54.840 -0.160 0.000 0.752 876 L CB -0.567 41.289 42.059 -0.338 0.000 0.906 876 L HN 0.343 nan 8.230 nan 0.000 0.436 877 Y N -0.388 119.875 120.300 -0.061 0.000 2.439 877 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 877 Y C 2.571 178.445 175.900 -0.044 0.000 1.130 877 Y CA 0.448 58.510 58.100 -0.064 0.000 1.254 877 Y CB -0.183 38.229 38.460 -0.079 0.000 1.000 877 Y HN 0.145 nan 8.280 nan 0.000 0.554 878 A N -0.032 122.849 122.820 0.101 0.000 1.897 878 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 878 A C 1.874 179.479 177.584 0.035 0.000 1.181 878 A CA 1.478 53.545 52.037 0.050 0.000 0.620 878 A CB -0.652 18.363 19.000 0.025 0.000 0.821 878 A HN 0.350 nan 8.150 nan 0.000 0.443 879 I N 0.237 120.831 120.570 0.039 0.000 2.761 879 I HA -0.079 4.091 4.170 -0.000 0.000 0.261 879 I C 2.259 178.410 176.117 0.057 0.000 1.198 879 I CA 1.038 62.368 61.300 0.051 0.000 1.482 879 I CB -0.159 37.890 38.000 0.082 0.000 1.100 879 I HN 0.136 nan 8.210 nan 0.000 0.445 880 S N 0.131 115.861 115.700 0.050 0.000 2.423 880 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 880 S C 1.915 176.554 174.600 0.065 0.000 1.014 880 S CA 0.973 59.206 58.200 0.055 0.000 0.965 880 S CB -0.203 63.035 63.200 0.063 0.000 0.785 880 S HN 0.394 nan 8.310 nan 0.000 0.495 881 L N 0.267 121.525 121.223 0.058 0.000 2.249 881 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 881 L C 1.848 178.748 176.870 0.050 0.000 1.090 881 L CA 0.666 55.533 54.840 0.045 0.000 0.802 881 L CB -0.346 41.723 42.059 0.017 0.000 0.947 881 L HN 0.268 nan 8.230 nan 0.000 0.453 882 I N -0.997 119.594 120.570 0.036 0.000 2.617 882 I HA -0.151 4.019 4.170 -0.000 0.000 0.256 882 I C 2.097 178.269 176.117 0.091 0.000 1.167 882 I CA 0.610 61.929 61.300 0.033 0.000 1.469 882 I CB 0.052 38.057 38.000 0.009 0.000 1.098 882 I HN -0.004 nan 8.210 nan 0.000 0.436 883 V N -0.552 119.414 119.914 0.087 0.000 2.725 883 V HA -0.070 4.050 4.120 -0.000 0.000 0.247 883 V C 2.274 178.421 176.094 0.088 0.000 1.058 883 V CA 0.702 63.056 62.300 0.091 0.000 1.080 883 V CB 0.287 32.156 31.823 0.078 0.000 0.713 883 V HN 0.178 nan 8.190 nan 0.000 0.465 884 V N -0.308 119.654 119.914 0.080 0.000 2.407 884 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 884 V C 2.149 178.270 176.094 0.045 0.000 1.055 884 V CA 2.379 64.709 62.300 0.051 0.000 1.049 884 V CB -0.548 31.297 31.823 0.037 0.000 0.662 884 V HN 0.586 nan 8.190 nan 0.000 0.455 885 F N -0.568 119.342 119.950 -0.066 0.000 2.186 885 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 885 F C 2.104 177.894 175.800 -0.017 0.000 1.090 885 F CA 1.470 59.408 58.000 -0.102 0.000 1.307 885 F CB 0.043 38.956 39.000 -0.144 0.000 1.019 885 F HN 0.000 nan 8.300 nan 0.000 0.489 886 L N -0.838 120.522 121.223 0.229 0.000 2.109 886 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 886 L C 2.455 179.376 176.870 0.085 0.000 1.086 886 L CA 1.249 56.200 54.840 0.185 0.000 0.760 886 L CB -1.455 40.710 42.059 0.177 0.000 0.910 886 L HN 0.309 nan 8.230 nan 0.000 0.437 887 C N -0.484 118.852 119.300 0.060 0.000 2.450 887 C HA -0.030 4.430 4.460 -0.000 0.000 0.279 887 C C 1.714 176.738 174.990 0.057 0.000 1.335 887 C CA -0.349 58.701 59.018 0.053 0.000 1.749 887 C CB -0.569 27.198 27.740 0.046 0.000 1.963 887 C HN 0.206 nan 8.230 nan 0.000 0.501 888 L N 1.418 122.621 121.223 -0.033 0.000 2.387 888 L HA 0.347 4.687 4.340 -0.000 0.000 0.267 888 L C 0.832 177.622 176.870 -0.135 0.000 1.197 888 L CA 0.571 55.332 54.840 -0.133 0.000 1.070 888 L CB -0.282 41.571 42.059 -0.343 0.000 1.349 888 L HN 0.432 nan 8.230 nan 0.000 0.422 889 A N 1.647 124.527 122.820 0.101 0.000 2.836 889 A HA 0.012 4.332 4.320 -0.000 0.000 0.206 889 A C 1.634 179.256 177.584 0.063 0.000 2.193 889 A CA 0.468 52.534 52.037 0.049 0.000 1.435 889 A CB -0.841 18.150 19.000 -0.015 0.000 0.911 889 A HN 0.486 nan 8.150 nan 0.000 0.430 890 A N -0.459 122.405 122.820 0.073 0.000 2.019 890 A HA 0.285 4.605 4.320 -0.000 0.000 0.219 890 A C 1.319 178.901 177.584 -0.004 0.000 1.164 890 A CA 1.889 53.945 52.037 0.032 0.000 0.644 890 A CB -0.255 18.767 19.000 0.036 0.000 0.805 890 A HN 0.686 nan 8.150 nan 0.000 0.449 891 L N -2.256 118.967 121.223 -0.000 0.000 3.014 891 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 891 L C 0.431 176.989 176.870 -0.519 0.000 1.207 891 L CA 0.594 55.289 54.840 -0.241 0.000 1.017 891 L CB -1.152 40.709 42.059 -0.330 0.000 1.360 891 L HN 0.518 nan 8.230 nan 0.000 0.560 892 Y N 0.047 120.312 120.300 -0.058 0.000 2.965 892 Y HA 0.176 4.726 4.550 -0.000 0.000 0.242 892 Y C 0.286 176.138 175.900 -0.081 0.000 1.078 892 Y CA -0.833 57.231 58.100 -0.061 0.000 1.288 892 Y CB 0.511 38.932 38.460 -0.066 0.000 1.459 892 Y HN 0.089 nan 8.280 nan 0.000 0.438 893 E N 1.619 121.847 120.200 0.046 0.000 4.220 893 E HA -0.064 4.286 4.350 -0.000 0.000 0.160 893 E C -0.522 176.019 176.600 -0.099 0.000 1.630 893 E CA 0.536 56.886 56.400 -0.082 0.000 0.960 893 E CB -1.463 28.187 29.700 -0.083 0.000 1.061 893 E HN 0.409 nan 8.360 nan 0.000 0.360 894 S N 0.617 116.218 115.700 -0.165 0.000 2.761 894 S HA 0.642 5.112 4.470 -0.000 0.000 0.290 894 S C -1.358 173.223 174.600 -0.032 0.000 1.222 894 S CA -0.981 57.164 58.200 -0.092 0.000 0.954 894 S CB 1.240 64.455 63.200 0.025 0.000 1.281 894 S HN 0.444 nan 8.310 nan 0.000 0.527 895 W N 1.306 122.652 121.300 0.076 0.000 1.023 895 W HA 0.433 5.093 4.660 -0.000 0.000 0.305 895 W C 0.535 177.213 176.519 0.266 0.000 0.850 895 W CA -0.106 57.363 57.345 0.206 0.000 1.790 895 W CB 1.044 30.621 29.460 0.195 0.000 1.654 895 W HN 1.024 nan 8.180 nan 0.000 0.495 896 S N -2.595 113.399 115.700 0.489 0.000 2.707 896 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 896 S C 1.011 175.756 174.600 0.242 0.000 0.931 896 S CA -0.067 58.333 58.200 0.334 0.000 1.243 896 S CB 0.017 63.282 63.200 0.110 0.000 0.949 896 S HN 0.112 nan 8.310 nan 0.000 0.384 897 I N 3.302 123.928 120.570 0.094 0.000 2.208 897 I HA -0.052 4.118 4.170 -0.000 0.000 0.245 897 I C -1.073 174.949 176.117 -0.158 0.000 1.097 897 I CA 1.545 62.815 61.300 -0.050 0.000 1.363 897 I CB -0.991 36.941 38.000 -0.113 0.000 1.051 897 I HN 0.310 nan 8.210 nan 0.000 0.413 898 P HA -0.093 nan 4.420 nan 0.000 0.222 898 P C 1.484 178.578 177.300 -0.344 0.000 1.153 898 P CA 1.318 64.151 63.100 -0.444 0.000 0.798 898 P CB -0.107 31.119 31.700 -0.790 0.000 0.796 899 F N 0.591 120.485 119.950 -0.093 0.000 2.325 899 F HA -0.129 4.397 4.527 -0.000 0.000 0.299 899 F C 2.526 178.301 175.800 -0.042 0.000 1.090 899 F CA 1.483 59.474 58.000 -0.015 0.000 1.392 899 F CB -1.137 37.874 39.000 0.019 0.000 1.053 899 F HN -0.019 nan 8.300 nan 0.000 0.521 900 S N -0.584 115.173 115.700 0.095 0.000 2.368 900 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 900 S C 2.006 176.589 174.600 -0.029 0.000 1.030 900 S CA 1.355 59.567 58.200 0.021 0.000 0.999 900 S CB -1.088 62.111 63.200 -0.000 0.000 0.844 900 S HN 0.183 nan 8.310 nan 0.000 0.459 901 V N 1.026 120.894 119.914 -0.076 0.000 2.871 901 V HA 0.201 4.320 4.120 -0.000 0.000 0.256 901 V C 2.190 178.252 176.094 -0.053 0.000 1.082 901 V CA 1.358 63.605 62.300 -0.089 0.000 1.105 901 V CB -0.432 31.305 31.823 -0.143 0.000 0.713 901 V HN 0.573 nan 8.190 nan 0.000 0.473 902 M N -0.166 119.414 119.600 -0.033 0.000 2.618 902 M HA 0.149 4.629 4.480 -0.000 0.000 0.240 902 M C 0.520 176.851 176.300 0.051 0.000 1.123 902 M CA 0.901 56.204 55.300 0.006 0.000 1.060 902 M CB 0.136 32.743 32.600 0.012 0.000 1.535 902 M HN 0.370 nan 8.290 nan 0.000 0.507 903 L N -2.391 118.859 121.223 0.046 0.000 3.347 903 L HA 0.292 4.632 4.340 -0.000 0.000 0.306 903 L C 0.634 177.543 176.870 0.066 0.000 1.301 903 L CA -0.561 54.329 54.840 0.083 0.000 0.985 903 L CB -0.307 41.789 42.059 0.061 0.000 1.400 903 L HN -0.162 nan 8.230 nan 0.000 0.601 904 V N -3.167 116.762 119.914 0.025 0.000 3.647 904 V HA 0.068 4.187 4.120 -0.000 0.000 0.279 904 V C 2.197 178.301 176.094 0.017 0.000 1.314 904 V CA 0.418 62.730 62.300 0.019 0.000 1.125 904 V CB 0.040 31.849 31.823 -0.024 0.000 0.907 904 V HN 0.329 nan 8.190 nan 0.000 0.434 905 V N 0.531 120.455 119.914 0.016 0.000 2.255 905 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 905 V C 0.261 176.347 176.094 -0.014 0.000 1.051 905 V CA 2.307 64.600 62.300 -0.012 0.000 1.018 905 V CB -2.231 29.575 31.823 -0.028 0.000 0.641 905 V HN 0.551 nan 8.190 nan 0.000 0.445 906 P HA 0.067 nan 4.420 nan 0.000 0.231 906 P C 1.734 179.051 177.300 0.028 0.000 1.168 906 P CA 0.549 63.648 63.100 -0.000 0.000 0.779 906 P CB 0.040 31.734 31.700 -0.010 0.000 0.844 907 L N -0.090 121.174 121.223 0.068 0.000 1.988 907 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 907 L C 2.583 179.475 176.870 0.038 0.000 1.071 907 L CA 2.453 57.335 54.840 0.069 0.000 0.744 907 L CB -1.623 40.480 42.059 0.074 0.000 0.893 907 L HN 0.017 nan 8.230 nan 0.000 0.433 908 G N -2.010 106.800 108.800 0.017 0.000 2.511 908 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 908 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 908 G C 1.557 176.464 174.900 0.011 0.000 1.133 908 G CA 0.640 45.743 45.100 0.006 0.000 0.792 908 G HN 0.218 nan 8.290 nan 0.000 0.539 909 V N 0.796 120.710 119.914 -0.000 0.000 2.453 909 V HA -0.093 4.027 4.120 -0.000 0.000 0.247 909 V C 2.549 178.672 176.094 0.049 0.000 1.048 909 V CA 1.299 63.599 62.300 -0.001 0.000 1.049 909 V CB -0.170 31.623 31.823 -0.050 0.000 0.672 909 V HN 0.374 nan 8.190 nan 0.000 0.457 910 I N 1.138 121.731 120.570 0.039 0.000 2.335 910 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 910 I C 2.208 178.371 176.117 0.077 0.000 1.129 910 I CA 1.812 63.146 61.300 0.056 0.000 1.402 910 I CB -0.657 37.359 38.000 0.026 0.000 1.069 910 I HN 0.236 nan 8.210 nan 0.000 0.424 911 G N -0.437 108.405 108.800 0.071 0.000 2.403 911 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 911 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 911 G C 1.734 176.710 174.900 0.127 0.000 1.154 911 G CA 0.570 45.717 45.100 0.078 0.000 0.784 911 G HN 0.552 nan 8.290 nan 0.000 0.538 912 A N 0.596 123.513 122.820 0.161 0.000 1.930 912 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 912 A C 2.353 180.207 177.584 0.450 0.000 1.175 912 A CA 1.059 53.271 52.037 0.291 0.000 0.627 912 A CB -0.351 18.761 19.000 0.186 0.000 0.815 912 A HN 0.333 nan 8.150 nan 0.000 0.443 913 L N -1.031 120.408 121.223 0.360 0.000 2.217 913 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 913 L C 2.396 179.357 176.870 0.153 0.000 1.107 913 L CA 0.549 55.574 54.840 0.307 0.000 0.783 913 L CB -0.295 41.917 42.059 0.254 0.000 0.919 913 L HN 0.347 nan 8.230 nan 0.000 0.442 914 L N -0.859 120.444 121.223 0.133 0.000 2.131 914 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 914 L C 2.672 179.605 176.870 0.104 0.000 1.087 914 L CA 1.079 55.972 54.840 0.089 0.000 0.767 914 L CB -0.304 41.782 42.059 0.044 0.000 0.917 914 L HN 0.209 nan 8.230 nan 0.000 0.441 915 A N -0.743 122.146 122.820 0.114 0.000 1.970 915 A HA -0.021 4.298 4.320 -0.000 0.000 0.216 915 A C 2.368 180.011 177.584 0.100 0.000 1.170 915 A CA 1.326 53.441 52.037 0.130 0.000 0.645 915 A CB -0.540 18.537 19.000 0.129 0.000 0.816 915 A HN 0.401 nan 8.150 nan 0.000 0.447 916 A N -0.964 121.852 122.820 -0.007 0.000 1.898 916 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 916 A C 2.211 179.720 177.584 -0.125 0.000 1.183 916 A CA 1.984 53.907 52.037 -0.191 0.000 0.622 916 A CB -0.943 17.650 19.000 -0.678 0.000 0.824 916 A HN 0.385 nan 8.150 nan 0.000 0.444 917 T N -0.910 113.612 114.554 -0.054 0.000 2.985 917 T HA -0.009 4.340 4.350 -0.000 0.000 0.266 917 T C 1.514 176.246 174.700 0.054 0.000 1.076 917 T CA 1.129 63.214 62.100 -0.024 0.000 1.135 917 T CB -0.279 68.587 68.868 -0.005 0.000 0.890 917 T HN 0.431 nan 8.240 nan 0.000 0.480 918 F N 1.971 121.895 119.950 -0.044 0.000 2.098 918 F HA 0.221 4.748 4.527 -0.000 0.000 0.294 918 F C 1.404 177.186 175.800 -0.031 0.000 1.107 918 F CA 0.664 58.649 58.000 -0.025 0.000 1.234 918 F CB -0.044 38.951 39.000 -0.009 0.000 1.002 918 F HN -0.131 nan 8.300 nan 0.000 0.472 919 R N -0.300 120.150 120.500 -0.082 0.000 2.584 919 R HA 0.266 4.606 4.340 -0.000 0.000 0.253 919 R C 0.806 177.023 176.300 -0.137 0.000 1.251 919 R CA 0.331 56.327 56.100 -0.173 0.000 1.129 919 R CB -0.030 30.241 30.300 -0.049 0.000 1.239 919 R HN 0.251 nan 8.270 nan 0.000 0.595 920 G N 1.266 109.997 108.800 -0.116 0.000 3.424 920 G HA2 0.180 4.140 3.960 -0.000 0.000 0.263 920 G HA3 0.180 4.140 3.960 -0.000 0.000 0.263 920 G C 0.423 175.276 174.900 -0.079 0.000 1.310 920 G CA -0.173 44.870 45.100 -0.095 0.000 1.089 920 G HN 0.161 nan 8.290 nan 0.000 0.534 921 L N -0.553 120.616 121.223 -0.091 0.000 2.431 921 L HA 0.704 5.044 4.340 -0.000 0.000 0.260 921 L C 0.425 177.204 176.870 -0.151 0.000 1.098 921 L CA -0.456 54.322 54.840 -0.104 0.000 0.800 921 L CB 1.810 43.799 42.059 -0.117 0.000 1.210 921 L HN 0.091 nan 8.230 nan 0.000 0.465 922 T N -0.863 113.596 114.554 -0.158 0.000 2.843 922 T HA 0.189 4.539 4.350 -0.000 0.000 0.302 922 T C -0.680 173.923 174.700 -0.162 0.000 1.232 922 T CA -0.692 61.308 62.100 -0.167 0.000 1.009 922 T CB 1.476 70.295 68.868 -0.082 0.000 1.254 922 T HN 0.603 nan 8.240 nan 0.000 0.504 923 N N 2.393 121.026 118.700 -0.111 0.000 2.410 923 N HA 0.211 4.951 4.740 -0.000 0.000 0.281 923 N C -0.288 175.328 175.510 0.176 0.000 1.241 923 N CA 0.091 53.214 53.050 0.120 0.000 0.998 923 N CB 0.094 38.637 38.487 0.094 0.000 1.376 923 N HN 0.621 nan 8.380 nan 0.000 0.490 924 D N 0.123 120.669 120.400 0.242 0.000 2.658 924 D HA 0.165 4.805 4.640 -0.000 0.000 0.243 924 D C 0.922 177.356 176.300 0.224 0.000 1.159 924 D CA -0.710 53.400 54.000 0.184 0.000 1.084 924 D CB 0.095 40.957 40.800 0.103 0.000 1.227 924 D HN 0.027 nan 8.370 nan 0.000 0.636 925 V N -1.207 118.720 119.914 0.023 0.000 2.346 925 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 925 V C 1.994 178.154 176.094 0.110 0.000 1.037 925 V CA 1.344 63.616 62.300 -0.046 0.000 1.029 925 V CB -0.895 30.598 31.823 -0.551 0.000 0.663 925 V HN 0.471 nan 8.190 nan 0.000 0.454 926 Y N -1.508 118.926 120.300 0.223 0.000 2.333 926 Y HA -0.232 4.317 4.550 -0.000 0.000 0.290 926 Y C 2.209 178.329 175.900 0.367 0.000 1.144 926 Y CA 1.855 60.166 58.100 0.352 0.000 1.228 926 Y CB -0.261 38.374 38.460 0.293 0.000 0.985 926 Y HN 0.303 nan 8.280 nan 0.000 0.542 927 F N 0.657 120.793 119.950 0.311 0.000 2.270 927 F HA -0.080 4.447 4.527 -0.000 0.000 0.295 927 F C 2.298 178.227 175.800 0.214 0.000 1.087 927 F CA 1.201 59.338 58.000 0.228 0.000 1.365 927 F CB -0.382 38.722 39.000 0.174 0.000 1.056 927 F HN -0.062 nan 8.300 nan 0.000 0.506 928 Q N -0.401 119.509 119.800 0.183 0.000 2.230 928 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 928 Q C 1.767 177.783 176.000 0.026 0.000 0.963 928 Q CA 1.342 57.198 55.803 0.088 0.000 0.866 928 Q CB 0.074 28.964 28.738 0.252 0.000 0.931 928 Q HN 0.335 nan 8.270 nan 0.000 0.452 929 V N -0.922 119.056 119.914 0.107 0.000 3.052 929 V HA 0.041 4.161 4.120 -0.000 0.000 0.254 929 V C 1.932 177.966 176.094 -0.101 0.000 1.100 929 V CA 1.262 63.547 62.300 -0.025 0.000 1.112 929 V CB 0.026 31.915 31.823 0.110 0.000 0.738 929 V HN 0.482 nan 8.190 nan 0.000 0.469 930 G N -0.149 108.639 108.800 -0.020 0.000 2.471 930 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 930 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 930 G C 1.462 176.295 174.900 -0.112 0.000 1.125 930 G CA 0.418 45.502 45.100 -0.028 0.000 0.775 930 G HN 0.393 nan 8.290 nan 0.000 0.548 931 L N -0.306 120.792 121.223 -0.208 0.000 2.023 931 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 931 L C 2.860 179.682 176.870 -0.080 0.000 1.073 931 L CA 0.863 55.591 54.840 -0.185 0.000 0.745 931 L CB -0.630 41.303 42.059 -0.209 0.000 0.900 931 L HN 0.215 nan 8.230 nan 0.000 0.435 932 L N -0.688 120.487 121.223 -0.081 0.000 2.191 932 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 932 L C 2.505 179.404 176.870 0.048 0.000 1.103 932 L CA 1.140 55.936 54.840 -0.073 0.000 0.769 932 L CB -0.812 41.060 42.059 -0.311 0.000 0.908 932 L HN 0.223 nan 8.230 nan 0.000 0.438 933 T N -2.073 112.503 114.554 0.036 0.000 2.857 933 T HA -0.171 4.178 4.350 -0.000 0.000 0.266 933 T C 1.953 176.674 174.700 0.035 0.000 1.048 933 T CA 1.754 63.955 62.100 0.167 0.000 1.139 933 T CB -0.117 68.820 68.868 0.115 0.000 0.874 933 T HN 0.249 nan 8.240 nan 0.000 0.455 934 T N 0.979 115.521 114.554 -0.020 0.000 3.055 934 T HA 0.096 4.446 4.350 -0.000 0.000 0.265 934 T C 1.688 176.357 174.700 -0.052 0.000 1.111 934 T CA 0.349 62.408 62.100 -0.067 0.000 1.118 934 T CB -0.271 68.563 68.868 -0.056 0.000 0.909 934 T HN 0.171 nan 8.240 nan 0.000 0.501 935 I N 0.636 121.198 120.570 -0.013 0.000 2.617 935 I HA 0.133 4.303 4.170 -0.000 0.000 0.256 935 I C 2.492 178.608 176.117 -0.001 0.000 1.167 935 I CA 0.743 62.041 61.300 -0.004 0.000 1.469 935 I CB -0.278 37.736 38.000 0.023 0.000 1.098 935 I HN 0.257 nan 8.210 nan 0.000 0.436 936 G N -0.266 108.548 108.800 0.024 0.000 2.511 936 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.217 936 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.217 936 G C 1.600 176.446 174.900 -0.091 0.000 1.133 936 G CA 0.239 45.326 45.100 -0.022 0.000 0.792 936 G HN 0.296 nan 8.290 nan 0.000 0.539 937 L N 0.372 121.525 121.223 -0.118 0.000 2.307 937 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 937 L C 2.830 179.611 176.870 -0.148 0.000 1.099 937 L CA 0.525 55.256 54.840 -0.182 0.000 0.816 937 L CB 0.136 42.016 42.059 -0.297 0.000 0.952 937 L HN 0.087 nan 8.230 nan 0.000 0.455 938 S N -0.085 115.549 115.700 -0.111 0.000 2.446 938 S HA 0.035 4.505 4.470 -0.000 0.000 0.225 938 S C 2.140 176.689 174.600 -0.086 0.000 1.016 938 S CA 0.814 58.961 58.200 -0.090 0.000 0.943 938 S CB 0.058 63.221 63.200 -0.063 0.000 0.786 938 S HN 0.425 nan 8.310 nan 0.000 0.508 939 A N 1.981 124.754 122.820 -0.079 0.000 1.929 939 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 939 A C 1.974 179.503 177.584 -0.092 0.000 1.176 939 A CA 1.713 53.703 52.037 -0.079 0.000 0.628 939 A CB -0.440 18.523 19.000 -0.061 0.000 0.816 939 A HN 0.351 nan 8.150 nan 0.000 0.444 940 K N 0.579 120.917 120.400 -0.102 0.000 1.969 940 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 940 K C 1.719 178.242 176.600 -0.128 0.000 1.048 940 K CA 2.116 58.336 56.287 -0.112 0.000 0.948 940 K CB -0.458 31.967 32.500 -0.125 0.000 0.726 940 K HN 0.383 nan 8.250 nan 0.000 0.442 941 N N 0.264 118.884 118.700 -0.134 0.000 2.094 941 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 941 N C 1.538 176.957 175.510 -0.152 0.000 1.023 941 N CA 1.690 54.655 53.050 -0.142 0.000 0.857 941 N CB -0.585 37.825 38.487 -0.127 0.000 1.013 941 N HN 0.407 nan 8.380 nan 0.000 0.426 942 A N 0.222 122.961 122.820 -0.136 0.000 1.968 942 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 942 A C 2.244 179.753 177.584 -0.125 0.000 1.169 942 A CA 0.584 52.538 52.037 -0.138 0.000 0.638 942 A CB -0.441 18.490 19.000 -0.116 0.000 0.812 942 A HN 0.220 nan 8.150 nan 0.000 0.446 943 I N 0.125 120.626 120.570 -0.115 0.000 2.546 943 I HA -0.194 3.976 4.170 -0.000 0.000 0.255 943 I C 1.987 178.038 176.117 -0.109 0.000 1.163 943 I CA 0.696 61.949 61.300 -0.078 0.000 1.457 943 I CB -0.076 37.904 38.000 -0.034 0.000 1.092 943 I HN 0.315 nan 8.210 nan 0.000 0.434 944 L N -0.099 120.996 121.223 -0.213 0.000 2.156 944 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 944 L C 2.311 178.991 176.870 -0.318 0.000 1.095 944 L CA 0.906 55.490 54.840 -0.428 0.000 0.770 944 L CB -0.588 41.192 42.059 -0.465 0.000 0.914 944 L HN 0.195 nan 8.230 nan 0.000 0.439 945 I N -0.587 119.884 120.570 -0.164 0.000 2.676 945 I HA -0.147 4.023 4.170 -0.000 0.000 0.259 945 I C 2.222 178.356 176.117 0.028 0.000 1.194 945 I CA 1.034 62.299 61.300 -0.058 0.000 1.473 945 I CB -0.090 37.815 38.000 -0.159 0.000 1.096 945 I HN 0.117 nan 8.210 nan 0.000 0.443 946 V N 0.233 120.151 119.914 0.007 0.000 3.431 946 V HA -0.063 4.057 4.120 -0.000 0.000 0.253 946 V C 2.226 178.413 176.094 0.156 0.000 1.184 946 V CA 0.874 63.215 62.300 0.069 0.000 1.104 946 V CB 0.576 32.397 31.823 -0.003 0.000 0.799 946 V HN 0.248 nan 8.190 nan 0.000 0.462 947 E N 0.252 120.539 120.200 0.144 0.000 2.057 947 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 947 E C 1.961 178.756 176.600 0.325 0.000 0.969 947 E CA 1.398 57.929 56.400 0.219 0.000 0.812 947 E CB -0.333 29.457 29.700 0.150 0.000 0.777 947 E HN 0.558 nan 8.360 nan 0.000 0.455 948 F N 0.154 120.150 119.950 0.077 0.000 2.234 948 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 948 F C 2.215 178.064 175.800 0.082 0.000 1.087 948 F CA 0.299 58.340 58.000 0.068 0.000 1.340 948 F CB -0.048 38.994 39.000 0.069 0.000 1.031 948 F HN 0.178 nan 8.300 nan 0.000 0.500 949 A N -0.433 122.564 122.820 0.294 0.000 2.014 949 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 949 A C 1.798 179.490 177.584 0.181 0.000 1.163 949 A CA 1.201 53.370 52.037 0.221 0.000 0.652 949 A CB -0.257 18.873 19.000 0.218 0.000 0.808 949 A HN 0.078 nan 8.150 nan 0.000 0.449 950 K N -0.055 120.448 120.400 0.172 0.000 2.367 950 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 950 K C 0.745 177.409 176.600 0.107 0.000 1.027 950 K CA 0.374 56.740 56.287 0.132 0.000 1.075 950 K CB 0.129 32.707 32.500 0.130 0.000 0.845 950 K HN 0.327 nan 8.250 nan 0.000 0.529 951 D N -0.146 120.327 120.400 0.123 0.000 2.323 951 D HA 0.039 4.679 4.640 -0.000 0.000 0.209 951 D C 1.344 177.676 176.300 0.055 0.000 0.973 951 D CA 0.608 54.654 54.000 0.076 0.000 0.874 951 D CB 0.510 41.355 40.800 0.075 0.000 0.930 951 D HN 0.162 nan 8.370 nan 0.000 0.521 952 L N -0.207 121.063 121.223 0.079 0.000 2.221 952 L HA 0.097 4.437 4.340 -0.000 0.000 0.202 952 L C 2.434 179.345 176.870 0.069 0.000 1.074 952 L CA 0.199 55.077 54.840 0.064 0.000 0.795 952 L CB -0.167 41.939 42.059 0.077 0.000 0.960 952 L HN -0.048 nan 8.230 nan 0.000 0.458 953 M N 0.050 119.705 119.600 0.092 0.000 2.065 953 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 953 M C 1.656 177.997 176.300 0.068 0.000 1.069 953 M CA 1.987 57.346 55.300 0.099 0.000 1.110 953 M CB -0.033 32.643 32.600 0.127 0.000 1.328 953 M HN 0.190 nan 8.290 nan 0.000 0.405 954 D N 0.078 120.510 120.400 0.053 0.000 2.128 954 D HA -0.103 4.536 4.640 -0.000 0.000 0.213 954 D C 1.883 178.198 176.300 0.025 0.000 0.983 954 D CA 1.295 55.315 54.000 0.033 0.000 0.889 954 D CB -0.444 40.369 40.800 0.023 0.000 1.018 954 D HN 0.366 nan 8.370 nan 0.000 0.448 955 K N 0.945 121.356 120.400 0.020 0.000 2.032 955 K HA -0.174 4.146 4.320 -0.000 0.000 0.218 955 K C 1.875 178.482 176.600 0.011 0.000 1.054 955 K CA 1.269 57.562 56.287 0.010 0.000 0.941 955 K CB -0.139 32.363 32.500 0.003 0.000 0.720 955 K HN 0.313 nan 8.250 nan 0.000 0.449 956 E N -0.030 120.180 120.200 0.017 0.000 3.277 956 E HA 0.142 4.491 4.350 -0.000 0.000 0.426 956 E C 0.790 177.404 176.600 0.023 0.000 0.326 956 E CA -0.014 56.396 56.400 0.016 0.000 2.454 956 E CB -0.068 29.641 29.700 0.015 0.000 2.219 956 E HN 0.245 nan 8.360 nan 0.000 0.459 957 G N 0.385 109.202 108.800 0.029 0.000 2.420 957 G HA2 0.247 4.207 3.960 -0.000 0.000 0.331 957 G HA3 0.247 4.207 3.960 -0.000 0.000 0.331 957 G C 0.264 175.194 174.900 0.049 0.000 1.168 957 G CA -0.294 44.825 45.100 0.032 0.000 0.936 957 G HN 0.231 nan 8.290 nan 0.000 0.479 958 K N 1.519 121.952 120.400 0.055 0.000 1.980 958 K HA -0.016 4.304 4.320 -0.000 0.000 0.223 958 K C 1.387 178.044 176.600 0.095 0.000 1.052 958 K CA 1.757 58.096 56.287 0.087 0.000 0.974 958 K CB -0.693 31.858 32.500 0.086 0.000 0.734 958 K HN 1.577 nan 8.250 nan 0.000 0.447 959 G N 1.279 110.108 108.800 0.048 0.000 2.438 959 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.272 959 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.272 959 G C 0.267 175.148 174.900 -0.033 0.000 0.991 959 G CA 0.462 45.568 45.100 0.009 0.000 1.348 959 G HN 0.419 nan 8.290 nan 0.000 0.483 960 L N 1.262 122.413 121.223 -0.121 0.000 1.997 960 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 960 L C 2.692 179.169 176.870 -0.655 0.000 1.074 960 L CA 2.775 57.364 54.840 -0.418 0.000 0.763 960 L CB -0.023 41.836 42.059 -0.333 0.000 0.890 960 L HN 0.881 nan 8.230 nan 0.000 0.434 961 I N -5.291 115.060 120.570 -0.364 0.000 4.240 961 I HA 0.152 4.322 4.170 -0.000 0.000 0.331 961 I C 0.676 176.690 176.117 -0.172 0.000 1.381 961 I CA -0.057 61.067 61.300 -0.293 0.000 1.136 961 I CB 0.251 38.081 38.000 -0.283 0.000 1.137 961 I HN 0.026 nan 8.210 nan 0.000 0.411 962 E N 1.692 121.820 120.200 -0.120 0.000 2.437 962 E HA 0.392 4.742 4.350 -0.000 0.000 0.195 962 E C 1.339 177.928 176.600 -0.019 0.000 1.029 962 E CA 0.449 56.807 56.400 -0.070 0.000 0.948 962 E CB 0.991 30.655 29.700 -0.059 0.000 1.082 962 E HN 0.604 nan 8.360 nan 0.000 0.456 963 A N 0.002 122.826 122.820 0.007 0.000 2.026 963 A HA -0.011 4.309 4.320 -0.000 0.000 0.201 963 A C 2.182 179.825 177.584 0.099 0.000 1.318 963 A CA 0.740 52.816 52.037 0.065 0.000 0.857 963 A CB -0.397 18.663 19.000 0.101 0.000 0.939 963 A HN 0.303 nan 8.150 nan 0.000 0.476 964 T N -1.171 113.441 114.554 0.095 0.000 2.821 964 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 964 T C 1.854 176.598 174.700 0.073 0.000 1.046 964 T CA 1.432 63.618 62.100 0.144 0.000 1.139 964 T CB -0.419 68.543 68.868 0.156 0.000 0.871 964 T HN 0.190 nan 8.240 nan 0.000 0.454 965 L N 0.864 122.052 121.223 -0.057 0.000 2.109 965 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 965 L C 2.441 179.310 176.870 -0.002 0.000 1.086 965 L CA 1.663 56.426 54.840 -0.128 0.000 0.760 965 L CB -0.304 41.653 42.059 -0.170 0.000 0.910 965 L HN 0.221 nan 8.230 nan 0.000 0.437 966 D N -0.663 119.756 120.400 0.032 0.000 2.312 966 D HA -0.104 4.536 4.640 -0.000 0.000 0.211 966 D C 1.967 178.336 176.300 0.115 0.000 0.964 966 D CA 0.990 55.029 54.000 0.065 0.000 0.877 966 D CB 0.351 41.181 40.800 0.049 0.000 0.924 966 D HN 0.369 nan 8.370 nan 0.000 0.515 967 A N -0.331 122.583 122.820 0.158 0.000 1.874 967 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 967 A C 2.260 180.003 177.584 0.266 0.000 1.189 967 A CA 1.047 53.221 52.037 0.227 0.000 0.615 967 A CB -0.740 18.419 19.000 0.265 0.000 0.830 967 A HN 0.201 nan 8.150 nan 0.000 0.443 968 V N 0.214 120.307 119.914 0.299 0.000 2.970 968 V HA -0.100 4.020 4.120 -0.000 0.000 0.260 968 V C 2.365 178.608 176.094 0.249 0.000 1.100 968 V CA 1.644 64.147 62.300 0.339 0.000 1.122 968 V CB -0.805 31.375 31.823 0.594 0.000 0.721 968 V HN 0.574 nan 8.190 nan 0.000 0.483 969 R N 1.012 121.631 120.500 0.199 0.000 2.152 969 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 969 R C 1.388 177.773 176.300 0.142 0.000 1.117 969 R CA 1.845 58.041 56.100 0.159 0.000 0.981 969 R CB -0.189 30.184 30.300 0.122 0.000 0.870 969 R HN 0.726 nan 8.270 nan 0.000 0.451 970 M N -0.598 119.094 119.600 0.153 0.000 3.043 970 M HA 0.354 4.834 4.480 -0.000 0.000 0.309 970 M C -0.689 175.725 176.300 0.190 0.000 1.202 970 M CA -0.470 54.917 55.300 0.145 0.000 0.869 970 M CB 0.786 33.452 32.600 0.111 0.000 1.327 970 M HN -0.096 nan 8.290 nan 0.000 0.524 971 R N -0.729 119.875 120.500 0.173 0.000 2.441 971 R HA 0.137 4.477 4.340 -0.000 0.000 0.143 971 R C -0.427 175.925 176.300 0.087 0.000 0.970 971 R CA -0.415 55.778 56.100 0.154 0.000 0.936 971 R CB -1.367 29.071 30.300 0.229 0.000 1.202 971 R HN 0.419 nan 8.270 nan 0.000 0.699 972 L N 0.120 121.361 121.223 0.030 0.000 2.313 972 L HA 0.215 4.555 4.340 -0.000 0.000 0.214 972 L C 1.895 178.744 176.870 -0.035 0.000 1.119 972 L CA 1.505 56.300 54.840 -0.075 0.000 0.809 972 L CB -0.259 41.643 42.059 -0.262 0.000 0.933 972 L HN 0.670 nan 8.230 nan 0.000 0.449 973 R N 0.867 121.378 120.500 0.019 0.000 2.082 973 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 973 R C -0.544 175.783 176.300 0.044 0.000 1.136 973 R CA 2.103 58.258 56.100 0.091 0.000 0.935 973 R CB -1.058 29.302 30.300 0.100 0.000 0.842 973 R HN 0.323 nan 8.270 nan 0.000 0.430 974 P HA -0.073 nan 4.420 nan 0.000 0.229 974 P C 1.207 178.458 177.300 -0.082 0.000 1.160 974 P CA 0.916 63.987 63.100 -0.048 0.000 0.777 974 P CB -0.022 31.674 31.700 -0.008 0.000 0.814 975 I N -0.799 119.734 120.570 -0.061 0.000 2.439 975 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 975 I C 2.186 178.254 176.117 -0.081 0.000 1.139 975 I CA 1.091 62.347 61.300 -0.074 0.000 1.438 975 I CB -0.972 36.997 38.000 -0.052 0.000 1.085 975 I HN -0.011 nan 8.210 nan 0.000 0.427 976 L N -0.880 120.300 121.223 -0.072 0.000 2.607 976 L HA 0.128 4.468 4.340 -0.000 0.000 0.228 976 L C 2.181 178.921 176.870 -0.217 0.000 1.123 976 L CA 0.192 54.993 54.840 -0.065 0.000 0.890 976 L CB 0.190 42.268 42.059 0.032 0.000 1.103 976 L HN 0.075 nan 8.230 nan 0.000 0.468 977 M N -1.839 117.550 119.600 -0.352 0.000 2.325 977 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 977 M C 2.001 178.096 176.300 -0.341 0.000 1.094 977 M CA 1.362 56.284 55.300 -0.630 0.000 1.161 977 M CB 0.228 32.479 32.600 -0.581 0.000 1.358 977 M HN 0.069 nan 8.290 nan 0.000 0.446 978 T N -0.797 113.634 114.554 -0.204 0.000 2.732 978 T HA -0.108 4.242 4.350 -0.000 0.000 0.261 978 T C 1.825 176.488 174.700 -0.061 0.000 1.040 978 T CA 1.779 63.808 62.100 -0.118 0.000 1.145 978 T CB -0.211 68.590 68.868 -0.112 0.000 0.866 978 T HN 0.361 nan 8.240 nan 0.000 0.427 979 S N 0.588 116.243 115.700 -0.076 0.000 2.368 979 S HA -0.047 4.423 4.470 -0.000 0.000 0.225 979 S C 1.999 176.619 174.600 0.033 0.000 1.030 979 S CA 0.984 59.170 58.200 -0.023 0.000 0.999 979 S CB -0.410 62.763 63.200 -0.045 0.000 0.844 979 S HN 0.350 nan 8.310 nan 0.000 0.459 980 L N 1.017 122.218 121.223 -0.036 0.000 2.109 980 L HA 0.202 4.542 4.340 -0.000 0.000 0.207 980 L C 2.456 179.305 176.870 -0.035 0.000 1.086 980 L CA 1.575 56.394 54.840 -0.034 0.000 0.760 980 L CB -0.634 41.387 42.059 -0.064 0.000 0.910 980 L HN 0.343 nan 8.230 nan 0.000 0.437 981 A N -1.159 121.623 122.820 -0.063 0.000 2.014 981 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 981 A C 2.113 179.695 177.584 -0.002 0.000 1.163 981 A CA 1.335 53.339 52.037 -0.055 0.000 0.652 981 A CB -0.889 18.056 19.000 -0.091 0.000 0.808 981 A HN 0.556 nan 8.150 nan 0.000 0.449 982 F N 0.499 120.394 119.950 -0.092 0.000 2.128 982 F HA -0.040 4.487 4.527 -0.000 0.000 0.295 982 F C 1.837 177.599 175.800 -0.063 0.000 1.100 982 F CA 1.544 59.499 58.000 -0.075 0.000 1.260 982 F CB -0.185 38.773 39.000 -0.071 0.000 1.009 982 F HN 0.139 nan 8.300 nan 0.000 0.476 983 I N 0.275 120.860 120.570 0.025 0.000 2.286 983 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 983 I C 2.229 178.250 176.117 -0.160 0.000 1.115 983 I CA 1.236 62.493 61.300 -0.071 0.000 1.392 983 I CB -0.456 37.581 38.000 0.062 0.000 1.065 983 I HN 0.221 nan 8.210 nan 0.000 0.418 984 L N 0.038 121.187 121.223 -0.122 0.000 2.156 984 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 984 L C 2.543 179.319 176.870 -0.157 0.000 1.095 984 L CA 1.282 56.053 54.840 -0.115 0.000 0.770 984 L CB -0.805 41.208 42.059 -0.078 0.000 0.914 984 L HN 0.286 nan 8.230 nan 0.000 0.439 985 G N -1.040 107.634 108.800 -0.210 0.000 2.484 985 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.218 985 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.218 985 G C 1.369 176.087 174.900 -0.303 0.000 1.130 985 G CA 0.462 45.423 45.100 -0.232 0.000 0.784 985 G HN 0.227 nan 8.290 nan 0.000 0.543 986 V N 0.407 120.077 119.914 -0.407 0.000 3.608 986 V HA 0.079 4.199 4.120 -0.000 0.000 0.269 986 V C 2.344 178.296 176.094 -0.237 0.000 1.245 986 V CA 0.838 62.907 62.300 -0.385 0.000 1.138 986 V CB 0.334 31.825 31.823 -0.553 0.000 0.841 986 V HN 0.304 nan 8.190 nan 0.000 0.451 987 M N 1.526 121.011 119.600 -0.191 0.000 2.108 987 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 987 M C -0.469 175.760 176.300 -0.118 0.000 1.066 987 M CA 2.238 57.462 55.300 -0.128 0.000 1.107 987 M CB -1.363 31.175 32.600 -0.103 0.000 1.356 987 M HN 0.190 nan 8.290 nan 0.000 0.406 988 P HA -0.118 nan 4.420 nan 0.000 0.219 988 P C 1.295 178.511 177.300 -0.140 0.000 1.146 988 P CA 1.306 64.328 63.100 -0.129 0.000 0.808 988 P CB -0.280 31.334 31.700 -0.143 0.000 0.779 989 L N -2.249 118.875 121.223 -0.164 0.000 2.168 989 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 989 L C 2.285 179.085 176.870 -0.117 0.000 1.078 989 L CA 0.757 55.492 54.840 -0.175 0.000 0.780 989 L CB -1.407 40.512 42.059 -0.234 0.000 0.939 989 L HN -0.190 nan 8.230 nan 0.000 0.451 990 V N 1.302 121.160 119.914 -0.094 0.000 2.287 990 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 990 V C 1.829 177.901 176.094 -0.037 0.000 1.053 990 V CA 1.983 64.253 62.300 -0.050 0.000 1.027 990 V CB -0.472 31.330 31.823 -0.035 0.000 0.646 990 V HN 0.433 nan 8.190 nan 0.000 0.447 991 I N -3.872 116.670 120.570 -0.046 0.000 3.204 991 I HA 0.410 4.580 4.170 -0.000 0.000 0.255 991 I C 1.624 177.710 176.117 -0.051 0.000 0.500 991 I CA 0.538 61.816 61.300 -0.037 0.000 3.141 991 I CB 0.125 38.113 38.000 -0.021 0.000 1.514 991 I HN 0.253 nan 8.210 nan 0.000 0.540 992 S N 1.081 116.754 115.700 -0.045 0.000 4.150 992 S HA -0.291 4.179 4.470 -0.000 0.000 0.537 992 S C 0.965 175.532 174.600 -0.054 0.000 1.375 992 S CA 2.399 60.568 58.200 -0.051 0.000 3.753 992 S CB -2.909 60.251 63.200 -0.066 0.000 1.831 992 S HN 1.088 nan 8.310 nan 0.000 0.455 993 T N 0.846 115.355 114.554 -0.074 0.000 2.769 993 T HA 0.522 4.872 4.350 -0.000 0.000 0.293 993 T C 0.469 175.132 174.700 -0.061 0.000 0.931 993 T CA 0.106 62.157 62.100 -0.081 0.000 1.139 993 T CB 1.207 70.006 68.868 -0.115 0.000 0.881 993 T HN 1.097 nan 8.240 nan 0.000 0.532 994 G N 0.862 109.637 108.800 -0.042 0.000 4.543 994 G HA2 0.608 4.568 3.960 -0.000 0.000 0.286 994 G HA3 0.608 4.568 3.960 -0.000 0.000 0.286 994 G C 0.415 175.318 174.900 0.004 0.000 1.112 994 G CA -0.038 45.051 45.100 -0.018 0.000 0.870 994 G HN 1.114 nan 8.290 nan 0.000 0.540 995 A N -0.965 121.843 122.820 -0.019 0.000 1.428 995 A HA 0.432 4.752 4.320 -0.000 0.000 0.209 995 A C 2.117 179.607 177.584 -0.157 0.000 1.887 995 A CA 1.401 53.451 52.037 0.022 0.000 1.545 995 A CB -0.862 18.208 19.000 0.116 0.000 1.456 995 A HN 0.796 nan 8.150 nan 0.000 0.330 996 G N 0.846 109.452 108.800 -0.323 0.000 2.513 996 G HA2 0.100 4.060 3.960 -0.000 0.000 0.219 996 G HA3 0.100 4.060 3.960 -0.000 0.000 0.219 996 G C 0.753 175.364 174.900 -0.482 0.000 1.160 996 G CA 2.053 46.770 45.100 -0.639 0.000 0.767 996 G HN 1.800 nan 8.290 nan 0.000 0.571 997 S N -1.939 113.630 115.700 -0.218 0.000 2.706 997 S HA 0.515 4.985 4.470 -0.000 0.000 0.270 997 S C 0.616 175.214 174.600 -0.002 0.000 1.163 997 S CA 0.230 58.388 58.200 -0.071 0.000 1.042 997 S CB 1.396 64.572 63.200 -0.041 0.000 1.079 997 S HN 0.493 nan 8.310 nan 0.000 0.474 998 G N 1.695 110.517 108.800 0.037 0.000 2.598 998 G HA2 0.231 4.191 3.960 -0.000 0.000 0.215 998 G HA3 0.231 4.191 3.960 -0.000 0.000 0.215 998 G C 1.215 176.126 174.900 0.018 0.000 1.131 998 G CA 0.462 45.580 45.100 0.029 0.000 0.785 998 G HN 1.135 nan 8.290 nan 0.000 0.539 999 A N 0.274 123.107 122.820 0.021 0.000 2.014 999 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 999 A C 2.204 179.772 177.584 -0.027 0.000 1.163 999 A CA 1.440 53.414 52.037 -0.105 0.000 0.652 999 A CB -0.254 18.564 19.000 -0.304 0.000 0.808 999 A HN 0.418 nan 8.150 nan 0.000 0.449 1000 Q N -0.212 119.613 119.800 0.042 0.000 2.135 1000 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 1000 Q C 1.695 177.609 176.000 -0.144 0.000 0.981 1000 Q CA 1.881 57.561 55.803 -0.205 0.000 0.856 1000 Q CB -0.250 28.364 28.738 -0.207 0.000 0.902 1000 Q HN 0.820 nan 8.270 nan 0.000 0.425 1001 N N 0.126 118.784 118.700 -0.070 0.000 2.244 1001 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 1001 N C 1.502 177.015 175.510 0.004 0.000 1.016 1001 N CA 1.041 54.070 53.050 -0.035 0.000 0.866 1001 N CB -0.082 38.394 38.487 -0.018 0.000 0.980 1001 N HN 0.211 nan 8.380 nan 0.000 0.430 1002 A N 0.259 123.087 122.820 0.014 0.000 1.969 1002 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 1002 A C 2.185 179.885 177.584 0.193 0.000 1.169 1002 A CA 1.024 53.127 52.037 0.111 0.000 0.635 1002 A CB -0.455 18.643 19.000 0.164 0.000 0.810 1002 A HN 0.104 nan 8.150 nan 0.000 0.445 1003 V N -0.474 119.501 119.914 0.102 0.000 2.273 1003 V HA -0.037 4.083 4.120 -0.000 0.000 0.242 1003 V C 2.769 178.927 176.094 0.106 0.000 1.035 1003 V CA 1.713 64.108 62.300 0.158 0.000 1.013 1003 V CB -1.546 30.314 31.823 0.062 0.000 0.652 1003 V HN 0.522 nan 8.190 nan 0.000 0.452 1004 G N -0.449 108.354 108.800 0.004 0.000 2.509 1004 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 1004 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 1004 G C 1.585 176.515 174.900 0.050 0.000 1.124 1004 G CA 1.370 46.462 45.100 -0.015 0.000 0.776 1004 G HN 0.474 nan 8.290 nan 0.000 0.547 1005 T N 0.534 115.142 114.554 0.090 0.000 2.896 1005 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 1005 T C 2.415 177.240 174.700 0.208 0.000 1.050 1005 T CA 1.070 63.241 62.100 0.119 0.000 1.140 1005 T CB -0.129 68.793 68.868 0.091 0.000 0.877 1005 T HN 0.311 nan 8.240 nan 0.000 0.457 1006 G N 0.830 109.819 108.800 0.315 0.000 2.744 1006 G HA2 0.064 4.023 3.960 -0.000 0.000 0.211 1006 G HA3 0.064 4.023 3.960 -0.000 0.000 0.211 1006 G C 1.398 176.448 174.900 0.251 0.000 1.143 1006 G CA 0.821 46.201 45.100 0.467 0.000 0.788 1006 G HN 0.524 nan 8.290 nan 0.000 0.534 1007 V N -2.172 117.870 119.914 0.212 0.000 3.359 1007 V HA 0.254 4.374 4.120 -0.000 0.000 0.245 1007 V C 2.345 178.600 176.094 0.268 0.000 1.247 1007 V CA 0.512 62.950 62.300 0.230 0.000 1.145 1007 V CB -0.105 31.922 31.823 0.340 0.000 0.906 1007 V HN 0.220 nan 8.190 nan 0.000 0.464 1008 M N 2.135 121.856 119.600 0.202 0.000 2.132 1008 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 1008 M C 1.981 178.358 176.300 0.127 0.000 1.065 1008 M CA 2.355 57.748 55.300 0.156 0.000 1.122 1008 M CB -0.565 32.075 32.600 0.066 0.000 1.365 1008 M HN 0.483 nan 8.290 nan 0.000 0.411 1009 G N -0.917 107.957 108.800 0.125 0.000 2.408 1009 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 1009 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 1009 G C 1.380 176.340 174.900 0.100 0.000 1.150 1009 G CA 0.772 45.934 45.100 0.105 0.000 0.776 1009 G HN 0.603 nan 8.290 nan 0.000 0.542 1010 G N -0.270 108.600 108.800 0.116 0.000 2.572 1010 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.216 1010 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.216 1010 G C 1.643 176.568 174.900 0.043 0.000 1.133 1010 G CA 0.409 45.556 45.100 0.078 0.000 0.791 1010 G HN 0.286 nan 8.290 nan 0.000 0.538 1011 M N 0.057 119.694 119.600 0.063 0.000 2.466 1011 M HA 0.163 4.643 4.480 -0.000 0.000 0.265 1011 M C 2.553 178.873 176.300 0.034 0.000 1.122 1011 M CA 0.447 55.760 55.300 0.022 0.000 1.157 1011 M CB 0.083 32.724 32.600 0.070 0.000 1.352 1011 M HN 0.086 nan 8.290 nan 0.000 0.464 1012 V N 0.501 120.449 119.914 0.055 0.000 2.490 1012 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 1012 V C 1.931 178.052 176.094 0.045 0.000 1.061 1012 V CA 1.986 64.313 62.300 0.044 0.000 1.064 1012 V CB -0.804 31.043 31.823 0.040 0.000 0.670 1012 V HN 0.457 nan 8.190 nan 0.000 0.461 1013 T N -0.790 113.791 114.554 0.045 0.000 3.060 1013 T HA 0.252 4.602 4.350 -0.000 0.000 0.249 1013 T C 1.495 176.222 174.700 0.045 0.000 1.079 1013 T CA 0.746 62.877 62.100 0.050 0.000 1.013 1013 T CB 0.249 69.145 68.868 0.046 0.000 0.975 1013 T HN 0.468 nan 8.240 nan 0.000 0.518 1014 A N 1.418 124.251 122.820 0.021 0.000 2.345 1014 A HA 0.324 4.644 4.320 -0.000 0.000 0.225 1014 A C 2.017 179.597 177.584 -0.008 0.000 1.243 1014 A CA 0.729 52.764 52.037 -0.002 0.000 0.875 1014 A CB -0.362 18.613 19.000 -0.041 0.000 0.929 1014 A HN 0.512 nan 8.150 nan 0.000 0.502 1015 T N -5.060 109.504 114.554 0.017 0.000 3.340 1015 T HA 0.107 4.457 4.350 -0.000 0.000 0.272 1015 T C 0.319 175.059 174.700 0.067 0.000 0.965 1015 T CA 0.581 62.693 62.100 0.019 0.000 1.040 1015 T CB -0.388 68.474 68.868 -0.011 0.000 1.183 1015 T HN 0.013 nan 8.240 nan 0.000 0.478 1016 V N 2.672 122.631 119.914 0.073 0.000 1.973 1016 V HA 0.566 4.686 4.120 -0.000 0.000 0.255 1016 V C 0.547 176.770 176.094 0.215 0.000 1.605 1016 V CA 0.339 62.707 62.300 0.113 0.000 1.542 1016 V CB -0.706 31.161 31.823 0.073 0.000 1.504 1016 V HN 0.538 nan 8.190 nan 0.000 0.505 1017 L N 1.222 122.607 121.223 0.270 0.000 1.230 1017 L HA 0.060 4.400 4.340 -0.000 0.000 0.076 1017 L C 1.904 178.910 176.870 0.226 0.000 1.446 1017 L CA 1.291 56.305 54.840 0.291 0.000 1.170 1017 L CB -0.817 41.347 42.059 0.176 0.000 2.400 1017 L HN 0.274 nan 8.230 nan 0.000 0.455 1018 A N -0.140 122.758 122.820 0.131 0.000 1.854 1018 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 1018 A C 1.670 179.264 177.584 0.017 0.000 1.192 1018 A CA 1.915 53.978 52.037 0.043 0.000 0.611 1018 A CB -0.506 18.485 19.000 -0.015 0.000 0.832 1018 A HN 0.301 nan 8.150 nan 0.000 0.442 1019 I N -1.620 119.006 120.570 0.094 0.000 3.528 1019 I HA 0.223 4.393 4.170 -0.000 0.000 0.298 1019 I C 0.133 176.610 176.117 0.601 0.000 1.281 1019 I CA 0.416 61.839 61.300 0.206 0.000 1.269 1019 I CB -0.703 37.420 38.000 0.204 0.000 1.013 1019 I HN 0.327 nan 8.210 nan 0.000 0.512 1020 F N -2.951 117.127 119.950 0.213 0.000 3.360 1020 F HA 0.195 4.721 4.527 -0.000 0.000 0.327 1020 F C 0.984 176.877 175.800 0.155 0.000 1.186 1020 F CA -0.957 57.126 58.000 0.138 0.000 0.903 1020 F CB 0.254 39.256 39.000 0.004 0.000 1.533 1020 F HN -0.125 nan 8.300 nan 0.000 0.515 1021 F N 0.134 119.978 119.950 -0.177 0.000 2.281 1021 F HA -0.391 4.136 4.527 -0.000 0.000 0.216 1021 F C 0.499 176.114 175.800 -0.307 0.000 1.293 1021 F CA 1.730 59.580 58.000 -0.250 0.000 1.922 1021 F CB -1.479 37.540 39.000 0.032 0.000 0.554 1021 F HN 0.089 nan 8.300 nan 0.000 0.329 1022 V N 0.749 120.737 119.914 0.123 0.000 2.732 1022 V HA 0.315 4.435 4.120 -0.000 0.000 0.310 1022 V C -1.591 174.518 176.094 0.025 0.000 1.053 1022 V CA -1.904 60.370 62.300 -0.044 0.000 0.957 1022 V CB 1.608 33.481 31.823 0.084 0.000 1.018 1022 V HN 0.013 nan 8.190 nan 0.000 0.452 1023 P HA -0.253 nan 4.420 nan 0.000 0.299 1023 P C 0.229 177.576 177.300 0.079 0.000 1.965 1023 P CA 1.474 64.606 63.100 0.052 0.000 1.761 1023 P CB -0.092 31.556 31.700 -0.087 0.000 0.248 1024 V N -3.348 116.557 119.914 -0.016 0.000 5.691 1024 V HA -0.261 3.859 4.120 -0.000 0.000 0.288 1024 V C 0.883 176.763 176.094 -0.356 0.000 0.615 1024 V CA 1.886 64.074 62.300 -0.186 0.000 0.619 1024 V CB -2.905 28.751 31.823 -0.278 0.000 0.296 1024 V HN 0.663 nan 8.190 nan 0.000 0.834 1025 F N -3.961 116.051 119.950 0.102 0.000 1.692 1025 F HA -0.113 4.414 4.527 -0.000 0.000 0.287 1025 F C 1.383 177.192 175.800 0.015 0.000 1.241 1025 F CA 0.239 58.267 58.000 0.047 0.000 1.255 1025 F CB -0.857 38.151 39.000 0.013 0.000 2.008 1025 F HN 0.162 nan 8.300 nan 0.000 0.119 1026 F N 2.082 122.136 119.950 0.173 0.000 2.134 1026 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 1026 F C 2.387 178.219 175.800 0.052 0.000 1.097 1026 F CA 2.099 60.143 58.000 0.073 0.000 1.264 1026 F CB -0.672 38.346 39.000 0.030 0.000 1.001 1026 F HN -0.048 nan 8.300 nan 0.000 0.479 1027 V N -1.734 118.309 119.914 0.215 0.000 2.233 1027 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 1027 V C 2.144 178.315 176.094 0.128 0.000 1.050 1027 V CA 1.998 64.363 62.300 0.109 0.000 1.010 1027 V CB -1.761 30.089 31.823 0.045 0.000 0.637 1027 V HN 0.183 nan 8.190 nan 0.000 0.444 1028 V N 0.230 120.233 119.914 0.148 0.000 2.546 1028 V HA -0.208 3.912 4.120 -0.000 0.000 0.254 1028 V C 2.547 178.815 176.094 0.290 0.000 1.076 1028 V CA 1.853 64.260 62.300 0.177 0.000 1.087 1028 V CB -1.158 30.788 31.823 0.206 0.000 0.674 1028 V HN 0.440 nan 8.190 nan 0.000 0.470 1029 V N 1.526 121.596 119.914 0.260 0.000 2.229 1029 V HA -0.243 3.877 4.120 -0.000 0.000 0.243 1029 V C 2.620 178.881 176.094 0.279 0.000 1.042 1029 V CA 2.624 65.093 62.300 0.281 0.000 1.000 1029 V CB -0.737 31.113 31.823 0.045 0.000 0.637 1029 V HN 0.610 nan 8.190 nan 0.000 0.446 1030 R N -0.028 120.568 120.500 0.161 0.000 2.276 1030 R HA 0.060 4.400 4.340 -0.000 0.000 0.203 1030 R C 2.162 178.503 176.300 0.069 0.000 1.017 1030 R CA 0.542 56.709 56.100 0.111 0.000 1.010 1030 R CB -0.272 30.077 30.300 0.082 0.000 0.900 1030 R HN 0.420 nan 8.270 nan 0.000 0.469 1031 R N 0.394 120.932 120.500 0.064 0.000 2.062 1031 R HA 0.151 4.491 4.340 -0.000 0.000 0.218 1031 R C 2.137 178.427 176.300 -0.017 0.000 1.161 1031 R CA 0.274 56.376 56.100 0.003 0.000 0.994 1031 R CB -0.322 29.998 30.300 0.033 0.000 0.888 1031 R HN 0.059 nan 8.270 nan 0.000 0.442 1032 R N 0.782 121.249 120.500 -0.056 0.000 2.052 1032 R HA 0.086 4.426 4.340 -0.000 0.000 0.226 1032 R C 0.785 176.914 176.300 -0.285 0.000 1.145 1032 R CA 1.079 57.033 56.100 -0.243 0.000 0.952 1032 R CB -0.366 29.638 30.300 -0.493 0.000 0.847 1032 R HN -0.040 nan 8.270 nan 0.000 0.431 1033 F N 0.141 120.106 119.950 0.025 0.000 2.284 1033 F HA 0.069 4.596 4.527 -0.000 0.000 0.297 1033 F C 1.917 177.723 175.800 0.010 0.000 1.215 1033 F CA 0.647 58.657 58.000 0.016 0.000 1.120 1033 F CB 0.354 39.359 39.000 0.008 0.000 1.426 1033 F HN 0.316 nan 8.300 nan 0.000 0.514 1034 S N -1.092 114.743 115.700 0.224 0.000 1.860 1034 S HA -0.299 4.171 4.470 -0.000 0.000 0.241 1034 S C 0.733 175.376 174.600 0.072 0.000 1.007 1034 S CA 1.444 59.713 58.200 0.116 0.000 1.412 1034 S CB -1.104 62.153 63.200 0.094 0.000 1.757 1034 S HN 0.870 nan 8.310 nan 0.000 0.547 1035 R N 1.478 122.015 120.500 0.062 0.000 5.102 1035 R HA 0.579 4.918 4.340 -0.000 0.000 0.103 1035 R C 0.218 176.539 176.300 0.034 0.000 0.765 1035 R CA 0.465 56.588 56.100 0.039 0.000 0.959 1035 R CB -0.209 30.104 30.300 0.021 0.000 1.436 1035 R HN 0.806 nan 8.270 nan 0.000 0.396 1036 K N 0.000 120.413 120.400 0.021 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.295 56.287 0.013 0.000 0.838 1036 K CB 0.000 32.518 32.500 0.030 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543