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 1oy9_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQNKLQLAMP 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 AKHPXMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWXXXXXXX XXSGNQAPSL 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 0.000 176.316 176.300 0.027 0.000 2.045 7 D CA 0.000 54.025 54.000 0.042 0.000 0.868 7 D CB 0.000 40.835 40.800 0.058 0.000 0.688 8 R N 1.362 121.880 120.500 0.029 0.000 2.538 8 R HA 0.448 4.788 4.340 -0.000 0.000 0.292 8 R C -2.211 174.041 176.300 -0.081 0.000 1.008 8 R CA -1.314 54.757 56.100 -0.049 0.000 0.896 8 R CB 3.278 33.574 30.300 -0.006 0.000 1.187 8 R HN -0.014 nan 8.270 nan 0.000 0.440 9 P HA -0.055 nan 4.420 nan 0.000 0.200 9 P C 1.230 178.434 177.300 -0.159 0.000 1.048 9 P CA 0.342 63.351 63.100 -0.151 0.000 0.734 9 P CB -0.110 31.404 31.700 -0.310 0.000 0.648 10 I N -0.700 119.691 120.570 -0.298 0.000 4.705 10 I HA -0.410 3.760 4.170 -0.000 0.000 0.070 10 I C 2.272 178.392 176.117 0.006 0.000 0.645 10 I CA 1.585 62.752 61.300 -0.222 0.000 0.527 10 I CB -2.865 34.880 38.000 -0.425 0.000 0.490 10 I HN 0.161 nan 8.210 nan 0.000 0.179 11 F N 1.703 121.702 119.950 0.082 0.000 2.082 11 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 11 F C 2.829 178.690 175.800 0.103 0.000 1.091 11 F CA 2.207 60.254 58.000 0.078 0.000 1.230 11 F CB -1.160 37.871 39.000 0.051 0.000 0.983 11 F HN 0.528 nan 8.300 nan 0.000 0.485 12 A N -0.396 122.587 122.820 0.272 0.000 1.877 12 A HA -0.206 4.113 4.320 -0.000 0.000 0.216 12 A C 1.852 179.567 177.584 0.219 0.000 1.186 12 A CA 1.474 53.639 52.037 0.213 0.000 0.620 12 A CB -1.380 17.737 19.000 0.196 0.000 0.822 12 A HN 0.532 nan 8.150 nan 0.000 0.443 13 W N -0.289 121.021 121.300 0.017 0.000 2.392 13 W HA -0.070 4.590 4.660 -0.000 0.000 0.279 13 W C 2.163 178.698 176.519 0.025 0.000 1.225 13 W CA 1.508 58.859 57.345 0.010 0.000 1.233 13 W CB -0.296 29.157 29.460 -0.013 0.000 1.122 13 W HN 0.151 nan 8.180 nan 0.000 0.561 14 V N -0.203 119.862 119.914 0.253 0.000 2.878 14 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 14 V C 2.056 178.217 176.094 0.112 0.000 1.075 14 V CA 0.859 63.266 62.300 0.178 0.000 1.096 14 V CB -0.446 31.493 31.823 0.193 0.000 0.724 14 V HN 0.028 nan 8.190 nan 0.000 0.467 15 I N 0.916 121.548 120.570 0.104 0.000 2.286 15 I HA -0.212 3.957 4.170 -0.000 0.000 0.248 15 I C 2.605 178.729 176.117 0.012 0.000 1.115 15 I CA 1.842 63.174 61.300 0.054 0.000 1.392 15 I CB -1.000 37.032 38.000 0.054 0.000 1.065 15 I HN 0.342 nan 8.210 nan 0.000 0.418 16 A N 0.604 123.416 122.820 -0.013 0.000 2.014 16 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 16 A C 2.235 179.787 177.584 -0.054 0.000 1.163 16 A CA 0.993 52.983 52.037 -0.077 0.000 0.652 16 A CB -0.522 18.359 19.000 -0.198 0.000 0.808 16 A HN 0.336 nan 8.150 nan 0.000 0.449 17 I N -0.437 120.130 120.570 -0.005 0.000 2.546 17 I HA -0.151 4.019 4.170 -0.000 0.000 0.255 17 I C 2.087 178.213 176.117 0.014 0.000 1.163 17 I CA 0.648 61.957 61.300 0.015 0.000 1.457 17 I CB -0.102 37.934 38.000 0.060 0.000 1.092 17 I HN 0.290 nan 8.210 nan 0.000 0.434 18 I N 0.393 120.972 120.570 0.015 0.000 2.208 18 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 18 I C 2.174 178.290 176.117 -0.002 0.000 1.097 18 I CA 1.692 62.997 61.300 0.008 0.000 1.363 18 I CB -0.160 37.845 38.000 0.007 0.000 1.051 18 I HN 0.152 nan 8.210 nan 0.000 0.413 19 I N -0.334 120.228 120.570 -0.013 0.000 2.928 19 I HA -0.202 3.968 4.170 -0.000 0.000 0.266 19 I C 2.211 178.325 176.117 -0.005 0.000 1.234 19 I CA 0.374 61.664 61.300 -0.018 0.000 1.483 19 I CB -0.175 37.803 38.000 -0.038 0.000 1.097 19 I HN 0.217 nan 8.210 nan 0.000 0.455 20 M N 0.250 119.846 119.600 -0.007 0.000 2.159 20 M HA -0.114 4.365 4.480 -0.000 0.000 0.263 20 M C 2.196 178.507 176.300 0.018 0.000 1.063 20 M CA 1.806 57.109 55.300 0.005 0.000 1.110 20 M CB -0.805 31.794 32.600 -0.001 0.000 1.374 20 M HN 0.260 nan 8.290 nan 0.000 0.411 21 L N -0.868 120.363 121.223 0.014 0.000 2.115 21 L HA 0.075 4.415 4.340 -0.000 0.000 0.200 21 L C 2.749 179.629 176.870 0.015 0.000 1.094 21 L CA 0.741 55.589 54.840 0.013 0.000 0.769 21 L CB -1.465 40.600 42.059 0.010 0.000 0.931 21 L HN 0.174 nan 8.230 nan 0.000 0.455 22 A N 0.891 123.717 122.820 0.009 0.000 2.001 22 A HA -0.268 4.052 4.320 -0.000 0.000 0.224 22 A C 2.265 179.867 177.584 0.030 0.000 1.203 22 A CA 2.506 54.546 52.037 0.005 0.000 0.667 22 A CB -1.500 17.494 19.000 -0.010 0.000 0.823 22 A HN 0.572 nan 8.150 nan 0.000 0.473 23 G N -1.636 107.200 108.800 0.061 0.000 2.417 23 G HA2 0.187 4.146 3.960 -0.000 0.000 0.212 23 G HA3 0.187 4.146 3.960 -0.000 0.000 0.212 23 G C 1.523 176.513 174.900 0.149 0.000 1.187 23 G CA 1.054 46.247 45.100 0.156 0.000 0.804 23 G HN 0.791 nan 8.290 nan 0.000 0.534 24 G N 0.814 109.668 108.800 0.089 0.000 2.422 24 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.218 24 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.218 24 G C 1.673 176.559 174.900 -0.023 0.000 1.140 24 G CA 0.932 46.047 45.100 0.024 0.000 0.775 24 G HN 0.393 nan 8.290 nan 0.000 0.545 25 L N 0.968 122.186 121.223 -0.008 0.000 2.156 25 L HA 0.222 4.562 4.340 -0.000 0.000 0.208 25 L C 2.534 179.386 176.870 -0.031 0.000 1.095 25 L CA 2.256 57.084 54.840 -0.019 0.000 0.770 25 L CB -1.167 40.887 42.059 -0.008 0.000 0.914 25 L HN 0.233 nan 8.230 nan 0.000 0.439 26 A N 0.056 122.863 122.820 -0.021 0.000 2.015 26 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 26 A C 2.146 179.673 177.584 -0.095 0.000 1.163 26 A CA 1.369 53.389 52.037 -0.029 0.000 0.646 26 A CB -0.568 18.445 19.000 0.022 0.000 0.806 26 A HN 0.445 nan 8.150 nan 0.000 0.448 27 I N -0.579 119.888 120.570 -0.172 0.000 2.546 27 I HA -0.072 4.098 4.170 -0.000 0.000 0.255 27 I C 1.412 177.435 176.117 -0.157 0.000 1.163 27 I CA 0.970 62.106 61.300 -0.273 0.000 1.457 27 I CB -0.005 37.750 38.000 -0.409 0.000 1.092 27 I HN 0.253 nan 8.210 nan 0.000 0.434 28 L N 0.063 121.225 121.223 -0.102 0.000 2.653 28 L HA 0.161 4.501 4.340 -0.000 0.000 0.232 28 L C 0.910 177.750 176.870 -0.050 0.000 1.169 28 L CA 0.266 55.065 54.840 -0.068 0.000 0.951 28 L CB -0.319 41.710 42.059 -0.050 0.000 1.181 28 L HN 0.014 nan 8.230 nan 0.000 0.460 29 K N 1.133 121.502 120.400 -0.052 0.000 3.481 29 K HA 0.324 4.644 4.320 -0.000 0.000 0.166 29 K C -1.539 175.044 176.600 -0.029 0.000 1.032 29 K CA -0.220 56.047 56.287 -0.033 0.000 0.776 29 K CB 0.817 33.303 32.500 -0.023 0.000 0.797 29 K HN 0.068 nan 8.250 nan 0.000 0.516 30 L N 1.347 122.548 121.223 -0.037 0.000 2.549 30 L HA 0.477 4.817 4.340 -0.000 0.000 0.259 30 L C -2.550 174.305 176.870 -0.025 0.000 0.934 30 L CA -1.226 53.599 54.840 -0.024 0.000 0.865 30 L CB 1.885 43.925 42.059 -0.032 0.000 1.352 30 L HN 0.072 nan 8.230 nan 0.000 0.410 31 P HA -0.003 nan 4.420 nan 0.000 0.256 31 P C 0.423 177.710 177.300 -0.021 0.000 1.173 31 P CA 0.081 63.178 63.100 -0.006 0.000 0.768 31 P CB 0.353 32.060 31.700 0.012 0.000 0.758 32 V N 1.027 120.920 119.914 -0.035 0.000 3.563 32 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 32 V C 1.317 177.378 176.094 -0.054 0.000 1.290 32 V CA -0.000 62.268 62.300 -0.053 0.000 1.201 32 V CB -1.304 30.481 31.823 -0.063 0.000 1.045 32 V HN 0.568 nan 8.190 nan 0.000 0.425 33 A N 0.344 123.141 122.820 -0.038 0.000 2.281 33 A HA 0.405 4.725 4.320 -0.000 0.000 0.271 33 A C 0.923 178.454 177.584 -0.088 0.000 1.196 33 A CA -0.096 51.918 52.037 -0.037 0.000 0.807 33 A CB 0.184 19.182 19.000 -0.003 0.000 1.138 33 A HN 0.409 nan 8.150 nan 0.000 0.506 34 Q N -1.150 118.589 119.800 -0.102 0.000 2.418 34 Q HA 0.162 4.502 4.340 -0.000 0.000 0.178 34 Q C -0.448 175.423 176.000 -0.214 0.000 1.141 34 Q CA 0.121 55.758 55.803 -0.276 0.000 1.190 34 Q CB -0.416 28.146 28.738 -0.292 0.000 1.658 34 Q HN 0.603 nan 8.270 nan 0.000 0.626 35 Y N 0.716 120.990 120.300 -0.043 0.000 3.053 35 Y HA -0.097 4.453 4.550 -0.000 0.000 0.346 35 Y C -1.618 174.247 175.900 -0.058 0.000 1.279 35 Y CA -1.042 57.017 58.100 -0.068 0.000 1.513 35 Y CB -1.495 36.933 38.460 -0.054 0.000 1.295 35 Y HN 0.387 nan 8.280 nan 0.000 0.642 36 P HA 0.052 nan 4.420 nan 0.000 0.286 36 P C -0.412 176.903 177.300 0.025 0.000 1.293 36 P CA -0.492 62.611 63.100 0.004 0.000 0.770 36 P CB 0.462 32.104 31.700 -0.096 0.000 1.206 37 T N 0.538 115.092 114.554 0.001 0.000 2.814 37 T HA 0.242 4.592 4.350 -0.000 0.000 0.297 37 T C 1.061 175.756 174.700 -0.007 0.000 0.956 37 T CA 0.343 62.446 62.100 0.005 0.000 1.123 37 T CB -0.292 68.579 68.868 0.005 0.000 0.902 37 T HN 0.207 nan 8.240 nan 0.000 0.528 38 I N 2.254 122.821 120.570 -0.005 0.000 3.878 38 I HA 0.374 4.543 4.170 -0.000 0.000 0.273 38 I C 1.302 177.417 176.117 -0.003 0.000 1.165 38 I CA -0.369 60.927 61.300 -0.007 0.000 1.360 38 I CB -0.896 37.092 38.000 -0.021 0.000 1.539 38 I HN 0.543 nan 8.210 nan 0.000 0.447 39 A N 3.685 126.499 122.820 -0.011 0.000 2.561 39 A HA 0.296 4.615 4.320 -0.000 0.000 0.251 39 A C -2.131 175.459 177.584 0.010 0.000 1.062 39 A CA -0.612 51.422 52.037 -0.005 0.000 0.761 39 A CB -1.223 17.773 19.000 -0.006 0.000 0.986 39 A HN 0.119 nan 8.150 nan 0.000 0.510 40 P HA 0.085 nan 4.420 nan 0.000 0.257 40 P C -2.438 174.882 177.300 0.034 0.000 1.162 40 P CA -0.156 62.962 63.100 0.031 0.000 0.762 40 P CB -0.183 31.535 31.700 0.030 0.000 0.753 41 P HA 0.227 nan 4.420 nan 0.000 0.271 41 P C -0.774 176.517 177.300 -0.016 0.000 1.233 41 P CA 0.224 63.306 63.100 -0.030 0.000 0.764 41 P CB 0.606 32.249 31.700 -0.096 0.000 0.825 42 A N 3.513 126.338 122.820 0.008 0.000 2.355 42 A HA 0.677 4.997 4.320 -0.000 0.000 0.324 42 A C -0.671 176.926 177.584 0.021 0.000 1.117 42 A CA -0.657 51.431 52.037 0.086 0.000 0.785 42 A CB 1.239 20.302 19.000 0.104 0.000 1.254 42 A HN 0.326 nan 8.150 nan 0.000 0.453 43 V N 0.866 120.828 119.914 0.080 0.000 2.667 43 V HA 0.684 4.804 4.120 -0.000 0.000 0.308 43 V C -0.031 176.107 176.094 0.075 0.000 1.048 43 V CA -0.337 61.988 62.300 0.041 0.000 0.928 43 V CB 2.105 33.945 31.823 0.028 0.000 1.004 43 V HN 0.939 nan 8.190 nan 0.000 0.444 44 T N 4.815 119.397 114.554 0.046 0.000 2.840 44 T HA 0.599 4.949 4.350 -0.000 0.000 0.287 44 T C -0.359 174.360 174.700 0.032 0.000 0.991 44 T CA -0.188 61.940 62.100 0.047 0.000 0.964 44 T CB 0.835 69.730 68.868 0.045 0.000 0.954 44 T HN 0.368 nan 8.240 nan 0.000 0.438 45 I N 2.442 123.031 120.570 0.031 0.000 2.499 45 I HA 0.520 4.690 4.170 -0.000 0.000 0.296 45 I C 0.444 176.569 176.117 0.013 0.000 0.992 45 I CA -0.516 60.795 61.300 0.018 0.000 1.297 45 I CB 1.306 39.315 38.000 0.016 0.000 1.410 45 I HN 0.563 nan 8.210 nan 0.000 0.507 46 S N 3.197 118.900 115.700 0.004 0.000 2.632 46 S HA 0.944 5.413 4.470 -0.000 0.000 0.289 46 S C -0.819 173.776 174.600 -0.007 0.000 1.115 46 S CA -0.831 57.369 58.200 -0.000 0.000 0.889 46 S CB 2.372 65.569 63.200 -0.006 0.000 1.116 46 S HN 0.878 nan 8.310 nan 0.000 0.486 47 A N 0.639 123.456 122.820 -0.005 0.000 2.582 47 A HA 0.783 5.102 4.320 -0.000 0.000 0.297 47 A C -0.978 176.613 177.584 0.011 0.000 1.059 47 A CA -0.536 51.498 52.037 -0.006 0.000 0.705 47 A CB 1.385 20.381 19.000 -0.007 0.000 1.279 47 A HN 0.625 nan 8.150 nan 0.000 0.404 48 S N 0.148 115.859 115.700 0.019 0.000 2.548 48 S HA 0.794 5.264 4.470 -0.000 0.000 0.286 48 S C -1.681 172.999 174.600 0.133 0.000 1.098 48 S CA -0.295 57.940 58.200 0.058 0.000 0.930 48 S CB 1.287 64.506 63.200 0.031 0.000 1.070 48 S HN 1.016 nan 8.310 nan 0.000 0.480 49 Y N 4.575 124.872 120.300 -0.005 0.000 2.422 49 Y HA 0.331 4.880 4.550 -0.001 0.000 0.344 49 Y C -2.626 173.285 175.900 0.018 0.000 1.097 49 Y CA -2.436 55.667 58.100 0.006 0.000 1.307 49 Y CB 1.474 39.934 38.460 0.001 0.000 1.102 49 Y HN 0.458 nan 8.280 nan 0.000 0.520 50 P HA 0.149 nan 4.420 nan 0.000 0.265 50 P C 0.706 177.967 177.300 -0.065 0.000 1.222 50 P CA 1.912 65.046 63.100 0.057 0.000 0.767 50 P CB 1.160 32.939 31.700 0.131 0.000 0.801 51 G N 3.193 111.935 108.800 -0.096 0.000 2.611 51 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.208 51 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.208 51 G C 0.393 175.171 174.900 -0.205 0.000 1.201 51 G CA -0.005 45.022 45.100 -0.123 0.000 0.739 51 G HN 0.811 nan 8.290 nan 0.000 0.528 52 A N 2.234 124.804 122.820 -0.418 0.000 2.598 52 A HA 0.410 4.729 4.320 -0.000 0.000 0.239 52 A C 0.917 178.392 177.584 -0.182 0.000 1.032 52 A CA 1.308 53.089 52.037 -0.427 0.000 0.760 52 A CB -0.177 18.380 19.000 -0.737 0.000 0.946 52 A HN 1.086 nan 8.150 nan 0.000 0.512 53 D N 1.895 122.219 120.400 -0.126 0.000 2.440 53 D HA 0.384 5.024 4.640 -0.000 0.000 0.269 53 D C 1.176 177.452 176.300 -0.040 0.000 1.249 53 D CA 0.084 54.044 54.000 -0.066 0.000 1.055 53 D CB 0.891 41.656 40.800 -0.058 0.000 1.104 53 D HN 0.423 nan 8.370 nan 0.000 0.561 54 A N -0.193 122.612 122.820 -0.025 0.000 1.972 54 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 54 A C 1.967 179.533 177.584 -0.031 0.000 1.169 54 A CA 1.423 53.445 52.037 -0.024 0.000 0.635 54 A CB -0.383 18.601 19.000 -0.027 0.000 0.810 54 A HN 0.432 nan 8.150 nan 0.000 0.446 55 K N -0.829 119.553 120.400 -0.030 0.000 2.262 55 K HA 0.084 4.403 4.320 -0.000 0.000 0.200 55 K C 1.954 178.551 176.600 -0.004 0.000 1.049 55 K CA 1.350 57.623 56.287 -0.024 0.000 0.979 55 K CB -0.505 31.983 32.500 -0.019 0.000 0.773 55 K HN 0.426 nan 8.250 nan 0.000 0.474 56 T N 0.715 115.267 114.554 -0.003 0.000 2.639 56 T HA -0.128 4.221 4.350 -0.000 0.000 0.261 56 T C 1.906 176.655 174.700 0.082 0.000 1.053 56 T CA 1.912 64.030 62.100 0.030 0.000 1.158 56 T CB -0.489 68.371 68.868 -0.014 0.000 0.863 56 T HN 0.116 nan 8.240 nan 0.000 0.413 57 V N 1.020 120.988 119.914 0.091 0.000 2.568 57 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 57 V C 2.357 178.487 176.094 0.061 0.000 1.072 57 V CA 1.859 64.231 62.300 0.121 0.000 1.084 57 V CB -1.015 30.872 31.823 0.106 0.000 0.676 57 V HN 0.364 nan 8.190 nan 0.000 0.469 58 Q N 1.921 121.739 119.800 0.030 0.000 2.291 58 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 58 Q C 1.100 177.107 176.000 0.013 0.000 0.976 58 Q CA 2.058 57.867 55.803 0.011 0.000 0.875 58 Q CB -0.058 28.672 28.738 -0.013 0.000 0.927 58 Q HN 1.045 nan 8.270 nan 0.000 0.450 59 D N -3.064 117.349 120.400 0.022 0.000 2.602 59 D HA 0.049 4.689 4.640 -0.000 0.000 0.265 59 D C 0.696 177.008 176.300 0.021 0.000 1.454 59 D CA 0.102 54.112 54.000 0.017 0.000 0.795 59 D CB -0.109 40.698 40.800 0.013 0.000 1.140 59 D HN -0.009 nan 8.370 nan 0.000 0.486 60 T N -1.278 113.296 114.554 0.033 0.000 2.958 60 T HA 0.210 4.560 4.350 -0.000 0.000 0.256 60 T C 1.054 175.746 174.700 -0.014 0.000 0.983 60 T CA 0.883 62.994 62.100 0.020 0.000 0.924 60 T CB 0.348 69.250 68.868 0.057 0.000 1.136 60 T HN -0.018 nan 8.240 nan 0.000 0.506 61 V N 0.188 120.102 119.914 0.001 0.000 3.058 61 V HA 0.154 4.274 4.120 -0.000 0.000 0.233 61 V C 2.609 178.699 176.094 -0.008 0.000 1.255 61 V CA 1.028 63.316 62.300 -0.020 0.000 1.267 61 V CB -0.439 31.376 31.823 -0.014 0.000 1.049 61 V HN 0.292 nan 8.190 nan 0.000 0.486 62 T N 0.281 114.840 114.554 0.007 0.000 2.569 62 T HA -0.234 4.116 4.350 -0.000 0.000 0.263 62 T C 1.918 176.616 174.700 -0.002 0.000 1.074 62 T CA 1.843 63.946 62.100 0.004 0.000 1.176 62 T CB -0.331 68.543 68.868 0.010 0.000 0.863 62 T HN 0.343 nan 8.240 nan 0.000 0.410 63 Q N 0.416 120.216 119.800 -0.001 0.000 2.170 63 Q HA -0.069 4.270 4.340 -0.000 0.000 0.203 63 Q C 2.637 178.632 176.000 -0.009 0.000 0.976 63 Q CA 1.030 56.830 55.803 -0.004 0.000 0.858 63 Q CB -0.526 28.212 28.738 -0.001 0.000 0.907 63 Q HN 0.394 nan 8.270 nan 0.000 0.433 64 V N 0.739 120.646 119.914 -0.011 0.000 2.407 64 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 64 V C 2.145 178.228 176.094 -0.018 0.000 1.055 64 V CA 1.420 63.710 62.300 -0.016 0.000 1.049 64 V CB -0.406 31.403 31.823 -0.023 0.000 0.662 64 V HN 0.264 nan 8.190 nan 0.000 0.455 65 I N -0.420 120.140 120.570 -0.018 0.000 2.277 65 I HA -0.132 4.037 4.170 -0.000 0.000 0.243 65 I C 2.567 178.673 176.117 -0.018 0.000 1.094 65 I CA 1.119 62.408 61.300 -0.017 0.000 1.393 65 I CB -0.296 37.695 38.000 -0.015 0.000 1.078 65 I HN 0.297 nan 8.210 nan 0.000 0.417 66 E N 0.614 120.803 120.200 -0.018 0.000 2.171 66 E HA -0.284 4.065 4.350 -0.000 0.000 0.197 66 E C 2.042 178.627 176.600 -0.024 0.000 0.997 66 E CA 1.175 57.561 56.400 -0.023 0.000 0.810 66 E CB -0.160 29.527 29.700 -0.021 0.000 0.738 66 E HN 0.654 nan 8.360 nan 0.000 0.467 67 Q N 0.226 120.014 119.800 -0.020 0.000 2.096 67 Q HA -0.043 4.297 4.340 -0.000 0.000 0.197 67 Q C 0.973 176.961 176.000 -0.020 0.000 0.964 67 Q CA 0.595 56.387 55.803 -0.019 0.000 0.838 67 Q CB -0.268 28.461 28.738 -0.015 0.000 0.906 67 Q HN 0.166 nan 8.270 nan 0.000 0.444 68 N N 0.260 118.949 118.700 -0.019 0.000 3.052 68 N HA 0.163 4.903 4.740 -0.000 0.000 0.302 68 N C -0.670 174.830 175.510 -0.018 0.000 1.332 68 N CA -0.161 52.879 53.050 -0.017 0.000 1.129 68 N CB 0.178 38.655 38.487 -0.016 0.000 1.436 68 N HN 0.005 nan 8.380 nan 0.000 0.536 69 M N 1.891 121.478 119.600 -0.022 0.000 3.269 69 M HA 0.253 4.733 4.480 -0.000 0.000 0.340 69 M C -1.789 174.490 176.300 -0.036 0.000 1.662 69 M CA -0.588 54.697 55.300 -0.025 0.000 0.547 69 M CB 0.007 32.590 32.600 -0.028 0.000 1.449 69 M HN 0.116 nan 8.290 nan 0.000 0.459 70 N N -0.662 118.021 118.700 -0.030 0.000 2.972 70 N HA 0.803 5.542 4.740 -0.000 0.000 0.262 70 N C 0.110 175.604 175.510 -0.025 0.000 1.478 70 N CA -0.296 52.732 53.050 -0.036 0.000 0.841 70 N CB 0.598 39.065 38.487 -0.034 0.000 1.512 70 N HN 0.321 nan 8.380 nan 0.000 0.548 71 G N -0.653 108.131 108.800 -0.028 0.000 2.289 71 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.280 71 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.280 71 G C -0.835 174.059 174.900 -0.010 0.000 1.089 71 G CA 0.381 45.471 45.100 -0.017 0.000 0.939 71 G HN 0.626 nan 8.290 nan 0.000 0.499 72 I N -0.224 120.335 120.570 -0.020 0.000 2.646 72 I HA 0.399 4.569 4.170 -0.000 0.000 0.299 72 I C -0.582 175.533 176.117 -0.004 0.000 1.036 72 I CA -1.186 60.114 61.300 0.001 0.000 1.074 72 I CB 1.819 39.818 38.000 -0.003 0.000 1.258 72 I HN -0.084 nan 8.210 nan 0.000 0.430 73 D N 5.161 125.588 120.400 0.045 0.000 2.210 73 D HA 0.232 4.872 4.640 -0.000 0.000 0.249 73 D C -0.461 175.893 176.300 0.089 0.000 1.078 73 D CA 0.069 54.097 54.000 0.048 0.000 0.875 73 D CB 0.890 41.725 40.800 0.057 0.000 1.175 73 D HN 0.461 nan 8.370 nan 0.000 0.440 74 N N 1.000 119.723 118.700 0.039 0.000 3.734 74 N HA -0.190 4.549 4.740 -0.000 0.000 0.293 74 N C -1.462 173.954 175.510 -0.157 0.000 2.048 74 N CA 0.346 53.422 53.050 0.043 0.000 2.515 74 N CB -0.203 38.399 38.487 0.191 0.000 0.580 74 N HN 0.296 nan 8.380 nan 0.000 0.627 75 L N 2.896 123.974 121.223 -0.241 0.000 2.781 75 L HA 0.223 4.562 4.340 -0.000 0.000 0.256 75 L C 0.132 176.838 176.870 -0.274 0.000 0.930 75 L CA -0.346 54.224 54.840 -0.449 0.000 0.967 75 L CB 1.513 43.287 42.059 -0.475 0.000 1.551 75 L HN 0.667 nan 8.230 nan 0.000 0.445 76 M N 3.211 122.618 119.600 -0.322 0.000 2.564 76 M HA 0.470 4.949 4.480 -0.000 0.000 0.254 76 M C -0.497 175.765 176.300 -0.063 0.000 1.299 76 M CA 0.168 55.370 55.300 -0.163 0.000 1.143 76 M CB 0.497 33.039 32.600 -0.096 0.000 1.427 76 M HN 0.404 nan 8.290 nan 0.000 0.538 77 Y N 0.046 120.251 120.300 -0.159 0.000 2.750 77 Y HA 0.808 5.358 4.550 -0.001 0.000 0.335 77 Y C -1.185 174.535 175.900 -0.302 0.000 1.252 77 Y CA -2.537 55.423 58.100 -0.234 0.000 1.064 77 Y CB 0.670 39.001 38.460 -0.215 0.000 1.321 77 Y HN 0.183 nan 8.280 nan 0.000 0.451 78 M N 1.730 121.254 119.600 -0.128 0.000 2.719 78 M HA 0.974 5.454 4.480 -0.000 0.000 0.291 78 M C -1.092 175.045 176.300 -0.272 0.000 1.264 78 M CA -0.314 54.906 55.300 -0.133 0.000 0.811 78 M CB 2.641 35.156 32.600 -0.142 0.000 1.756 78 M HN 1.242 nan 8.290 nan 0.000 0.464 79 S N 0.155 115.785 115.700 -0.117 0.000 2.688 79 S HA 0.894 5.364 4.470 -0.000 0.000 0.275 79 S C -1.029 173.570 174.600 -0.002 0.000 1.175 79 S CA -0.086 58.070 58.200 -0.073 0.000 0.818 79 S CB 1.448 64.670 63.200 0.036 0.000 1.157 79 S HN 1.445 nan 8.310 nan 0.000 0.482 80 S N 0.310 116.031 115.700 0.034 0.000 2.578 80 S HA 0.643 5.113 4.470 -0.000 0.000 0.272 80 S C -2.499 172.128 174.600 0.046 0.000 1.145 80 S CA -0.728 57.492 58.200 0.034 0.000 0.835 80 S CB 1.313 64.523 63.200 0.017 0.000 1.104 80 S HN 0.761 nan 8.310 nan 0.000 0.458 81 N N 2.066 120.790 118.700 0.040 0.000 2.607 81 N HA 0.309 5.048 4.740 -0.000 0.000 0.271 81 N C -1.669 173.858 175.510 0.028 0.000 1.142 81 N CA -0.401 52.674 53.050 0.040 0.000 0.810 81 N CB 1.832 40.352 38.487 0.055 0.000 1.306 81 N HN 0.501 nan 8.380 nan 0.000 0.536 82 S N 0.979 116.690 115.700 0.017 0.000 2.464 82 S HA 0.279 4.748 4.470 -0.000 0.000 0.313 82 S C 0.044 174.648 174.600 0.007 0.000 1.078 82 S CA -0.815 57.392 58.200 0.012 0.000 1.096 82 S CB 1.124 64.326 63.200 0.003 0.000 1.032 82 S HN 0.294 nan 8.310 nan 0.000 0.498 83 D N 1.921 122.329 120.400 0.014 0.000 2.354 83 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 83 D C 1.238 177.541 176.300 0.006 0.000 1.138 83 D CA -0.081 53.927 54.000 0.013 0.000 0.958 83 D CB 1.235 42.045 40.800 0.017 0.000 1.144 83 D HN 0.532 nan 8.370 nan 0.000 0.458 84 S N -0.888 114.816 115.700 0.007 0.000 2.470 84 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 84 S C 1.603 176.201 174.600 -0.004 0.000 1.006 84 S CA 0.571 58.772 58.200 0.001 0.000 0.934 84 S CB -0.093 63.115 63.200 0.015 0.000 0.778 84 S HN 0.412 nan 8.310 nan 0.000 0.517 85 T N 1.605 116.160 114.554 0.001 0.000 2.881 85 T HA 0.264 4.614 4.350 -0.000 0.000 0.270 85 T C 1.197 175.890 174.700 -0.012 0.000 1.068 85 T CA 1.110 63.208 62.100 -0.004 0.000 1.131 85 T CB -0.822 68.043 68.868 -0.005 0.000 0.871 85 T HN 1.099 nan 8.240 nan 0.000 0.479 86 G N 2.044 110.841 108.800 -0.006 0.000 2.754 86 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.215 86 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.215 86 G C -0.072 174.854 174.900 0.044 0.000 1.121 86 G CA -0.360 44.745 45.100 0.008 0.000 0.954 86 G HN 0.681 nan 8.290 nan 0.000 0.511 87 T N -2.530 112.044 114.554 0.034 0.000 3.509 87 T HA 0.550 4.899 4.350 -0.000 0.000 0.330 87 T C -0.380 174.335 174.700 0.024 0.000 0.851 87 T CA -0.174 61.942 62.100 0.026 0.000 1.057 87 T CB 1.601 70.469 68.868 0.000 0.000 1.023 87 T HN 1.356 nan 8.240 nan 0.000 0.470 88 V N 2.715 122.648 119.914 0.031 0.000 2.617 88 V HA 0.758 4.878 4.120 -0.000 0.000 0.298 88 V C -0.636 175.469 176.094 0.019 0.000 1.048 88 V CA -0.274 62.041 62.300 0.025 0.000 0.964 88 V CB 1.605 33.444 31.823 0.026 0.000 1.004 88 V HN 1.023 nan 8.190 nan 0.000 0.466 89 Q N 5.086 124.899 119.800 0.022 0.000 2.275 89 Q HA 0.417 4.757 4.340 -0.000 0.000 0.258 89 Q C -2.016 174.002 176.000 0.031 0.000 0.960 89 Q CA -0.643 55.174 55.803 0.024 0.000 0.801 89 Q CB 1.827 30.580 28.738 0.025 0.000 1.302 89 Q HN 0.675 nan 8.270 nan 0.000 0.433 90 I N 2.149 122.735 120.570 0.026 0.000 2.677 90 I HA 0.459 4.628 4.170 -0.000 0.000 0.305 90 I C -0.051 176.090 176.117 0.041 0.000 0.988 90 I CA -0.007 61.309 61.300 0.026 0.000 1.260 90 I CB 2.112 40.119 38.000 0.011 0.000 1.410 90 I HN 0.570 nan 8.210 nan 0.000 0.523 91 T N 5.678 120.260 114.554 0.047 0.000 3.011 91 T HA 0.617 4.967 4.350 -0.000 0.000 0.303 91 T C -0.883 173.852 174.700 0.059 0.000 0.997 91 T CA -0.435 61.708 62.100 0.072 0.000 1.007 91 T CB 0.883 69.811 68.868 0.101 0.000 1.017 91 T HN 0.110 nan 8.240 nan 0.000 0.443 92 L N 3.120 124.383 121.223 0.067 0.000 2.305 92 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 92 L C 0.430 177.317 176.870 0.029 0.000 1.013 92 L CA -0.397 54.426 54.840 -0.028 0.000 0.819 92 L CB 1.644 43.674 42.059 -0.048 0.000 1.227 92 L HN 0.581 nan 8.230 nan 0.000 0.417 93 T N 2.857 117.254 114.554 -0.261 0.000 2.795 93 T HA 0.651 5.001 4.350 -0.000 0.000 0.282 93 T C -0.297 174.227 174.700 -0.294 0.000 0.980 93 T CA -0.234 61.739 62.100 -0.211 0.000 1.012 93 T CB 0.713 69.286 68.868 -0.491 0.000 0.936 93 T HN 0.030 nan 8.240 nan 0.000 0.457 94 F N 0.706 120.527 119.950 -0.215 0.000 2.525 94 F HA 0.558 5.085 4.527 -0.001 0.000 0.346 94 F C 0.899 176.628 175.800 -0.119 0.000 1.072 94 F CA -1.591 56.318 58.000 -0.152 0.000 1.033 94 F CB 0.468 39.413 39.000 -0.092 0.000 1.324 94 F HN 0.294 nan 8.300 nan 0.000 0.491 95 E N 0.014 120.285 120.200 0.119 0.000 2.398 95 E HA 0.099 4.449 4.350 -0.000 0.000 0.263 95 E C -0.267 176.376 176.600 0.072 0.000 1.046 95 E CA -0.107 56.330 56.400 0.061 0.000 0.908 95 E CB 0.526 30.256 29.700 0.051 0.000 0.963 95 E HN 0.389 nan 8.360 nan 0.000 0.431 96 S N 1.075 116.804 115.700 0.048 0.000 2.533 96 S HA 0.387 4.857 4.470 -0.000 0.000 0.282 96 S C 1.117 175.750 174.600 0.055 0.000 1.304 96 S CA 0.732 58.961 58.200 0.048 0.000 1.063 96 S CB -0.042 63.185 63.200 0.046 0.000 0.881 96 S HN 0.708 nan 8.310 nan 0.000 0.493 97 G N 3.367 112.196 108.800 0.048 0.000 2.217 97 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 97 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 97 G C 0.282 175.203 174.900 0.034 0.000 0.990 97 G CA 0.201 45.331 45.100 0.051 0.000 0.627 97 G HN 0.863 nan 8.290 nan 0.000 0.522 98 T N 1.904 116.475 114.554 0.029 0.000 2.930 98 T HA 0.405 4.754 4.350 -0.000 0.000 0.306 98 T C 0.142 174.817 174.700 -0.043 0.000 1.045 98 T CA 0.243 62.351 62.100 0.012 0.000 1.134 98 T CB 0.894 69.794 68.868 0.054 0.000 0.961 98 T HN 0.242 nan 8.240 nan 0.000 0.545 99 D N 1.501 121.872 120.400 -0.048 0.000 2.458 99 D HA 0.312 4.951 4.640 -0.000 0.000 0.243 99 D C 0.822 177.029 176.300 -0.155 0.000 1.146 99 D CA 0.071 54.028 54.000 -0.072 0.000 0.877 99 D CB 0.756 41.529 40.800 -0.046 0.000 1.176 99 D HN 0.577 nan 8.370 nan 0.000 0.461 100 A N 3.188 125.916 122.820 -0.153 0.000 2.169 100 A HA -0.071 4.249 4.320 -0.000 0.000 0.212 100 A C 1.616 179.105 177.584 -0.158 0.000 1.153 100 A CA 0.533 52.444 52.037 -0.211 0.000 0.756 100 A CB 0.077 18.984 19.000 -0.156 0.000 0.813 100 A HN 0.510 nan 8.150 nan 0.000 0.471 101 D N -0.098 120.241 120.400 -0.102 0.000 2.091 101 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 101 D C 1.755 178.012 176.300 -0.071 0.000 0.980 101 D CA 1.351 55.309 54.000 -0.070 0.000 0.831 101 D CB -0.149 40.626 40.800 -0.042 0.000 0.987 101 D HN 0.429 nan 8.370 nan 0.000 0.460 102 I N 1.407 121.935 120.570 -0.070 0.000 2.286 102 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 102 I C 2.141 178.215 176.117 -0.073 0.000 1.104 102 I CA 0.932 62.200 61.300 -0.052 0.000 1.397 102 I CB -0.453 37.530 38.000 -0.028 0.000 1.072 102 I HN -0.118 nan 8.210 nan 0.000 0.417 103 A N -0.115 122.606 122.820 -0.165 0.000 1.978 103 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 103 A C 2.323 179.790 177.584 -0.195 0.000 1.170 103 A CA 1.991 53.857 52.037 -0.285 0.000 0.636 103 A CB -0.821 17.636 19.000 -0.905 0.000 0.810 103 A HN 0.687 nan 8.150 nan 0.000 0.448 104 Q N -0.021 119.680 119.800 -0.165 0.000 1.917 104 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 104 Q C 1.957 177.944 176.000 -0.021 0.000 0.988 104 Q CA 2.528 58.283 55.803 -0.079 0.000 0.851 104 Q CB -0.423 28.271 28.738 -0.073 0.000 0.916 104 Q HN 0.361 nan 8.270 nan 0.000 0.424 105 V N 1.484 121.384 119.914 -0.023 0.000 2.277 105 V HA -0.438 3.681 4.120 -0.000 0.000 0.261 105 V C 2.450 178.552 176.094 0.013 0.000 1.091 105 V CA 2.701 64.998 62.300 -0.005 0.000 1.090 105 V CB -1.295 30.524 31.823 -0.007 0.000 0.704 105 V HN 0.520 nan 8.190 nan 0.000 0.455 106 Q N -0.919 118.899 119.800 0.029 0.000 2.050 106 Q HA -0.157 4.182 4.340 -0.000 0.000 0.202 106 Q C 2.405 178.439 176.000 0.056 0.000 0.980 106 Q CA 1.845 57.678 55.803 0.050 0.000 0.840 106 Q CB -0.489 28.300 28.738 0.084 0.000 0.898 106 Q HN 0.571 nan 8.270 nan 0.000 0.424 107 V N 1.351 121.315 119.914 0.084 0.000 2.626 107 V HA -0.249 3.871 4.120 -0.000 0.000 0.252 107 V C 2.091 178.207 176.094 0.037 0.000 1.067 107 V CA 2.237 64.581 62.300 0.075 0.000 1.081 107 V CB -0.171 31.726 31.823 0.124 0.000 0.686 107 V HN 0.478 nan 8.190 nan 0.000 0.468 108 Q N -1.308 118.508 119.800 0.026 0.000 2.319 108 Q HA 0.106 4.446 4.340 -0.000 0.000 0.202 108 Q C 0.912 176.915 176.000 0.005 0.000 0.896 108 Q CA 0.812 56.622 55.803 0.011 0.000 0.942 108 Q CB 0.021 28.762 28.738 0.005 0.000 1.083 108 Q HN 0.482 nan 8.270 nan 0.000 0.510 109 N N -0.117 118.588 118.700 0.008 0.000 2.234 109 N HA 0.134 4.874 4.740 -0.000 0.000 0.227 109 N C 0.031 175.542 175.510 0.002 0.000 1.151 109 N CA 0.206 53.258 53.050 0.003 0.000 0.865 109 N CB 1.071 39.561 38.487 0.004 0.000 1.066 109 N HN 0.318 nan 8.380 nan 0.000 0.515 110 K N -0.484 119.918 120.400 0.003 0.000 2.603 110 K HA 0.276 4.595 4.320 -0.000 0.000 0.205 110 K C 1.293 177.890 176.600 -0.005 0.000 1.500 110 K CA -0.024 56.262 56.287 -0.001 0.000 1.059 110 K CB -0.333 32.169 32.500 0.003 0.000 1.416 110 K HN -0.039 nan 8.250 nan 0.000 0.562 111 L N 1.405 122.626 121.223 -0.003 0.000 2.051 111 L HA -0.141 4.199 4.340 -0.000 0.000 0.214 111 L C 1.582 178.445 176.870 -0.012 0.000 1.076 111 L CA 2.041 56.876 54.840 -0.008 0.000 0.758 111 L CB -0.179 41.878 42.059 -0.004 0.000 0.890 111 L HN 0.540 nan 8.230 nan 0.000 0.433 112 Q N 0.301 120.095 119.800 -0.010 0.000 2.259 112 Q HA -0.019 4.321 4.340 -0.000 0.000 0.228 112 Q C 0.905 176.897 176.000 -0.013 0.000 0.909 112 Q CA 0.132 55.927 55.803 -0.013 0.000 0.948 112 Q CB 0.098 28.829 28.738 -0.011 0.000 1.041 112 Q HN 0.675 nan 8.270 nan 0.000 0.445 113 L N -1.603 119.612 121.223 -0.013 0.000 2.730 113 L HA 0.328 4.667 4.340 -0.000 0.000 0.236 113 L C 1.715 178.575 176.870 -0.017 0.000 1.061 113 L CA 0.546 55.378 54.840 -0.014 0.000 0.898 113 L CB -0.078 41.975 42.059 -0.011 0.000 1.270 113 L HN 0.100 nan 8.230 nan 0.000 0.500 114 A N -0.275 122.534 122.820 -0.019 0.000 2.278 114 A HA 0.024 4.344 4.320 -0.000 0.000 0.212 114 A C 1.932 179.498 177.584 -0.029 0.000 1.213 114 A CA 0.276 52.299 52.037 -0.023 0.000 0.840 114 A CB -0.211 18.776 19.000 -0.022 0.000 0.866 114 A HN 0.245 nan 8.150 nan 0.000 0.489 115 M N 0.881 120.464 119.600 -0.028 0.000 2.086 115 M HA -0.003 4.477 4.480 -0.000 0.000 0.261 115 M C -1.315 174.961 176.300 -0.040 0.000 1.067 115 M CA 1.353 56.632 55.300 -0.035 0.000 1.116 115 M CB -0.869 31.713 32.600 -0.030 0.000 1.348 115 M HN 0.142 nan 8.290 nan 0.000 0.407 116 P HA 0.075 nan 4.420 nan 0.000 0.255 116 P C 0.435 177.715 177.300 -0.034 0.000 1.301 116 P CA 0.597 63.677 63.100 -0.033 0.000 0.817 116 P CB -0.042 31.643 31.700 -0.025 0.000 1.259 117 L N -0.987 120.214 121.223 -0.037 0.000 2.700 117 L HA 0.288 4.627 4.340 -0.000 0.000 0.234 117 L C 0.570 177.411 176.870 -0.049 0.000 1.156 117 L CA 0.286 55.104 54.840 -0.036 0.000 0.946 117 L CB -0.312 41.729 42.059 -0.029 0.000 1.216 117 L HN 0.052 nan 8.230 nan 0.000 0.493 118 L N -0.000 121.183 121.223 -0.066 0.000 2.313 118 L HA 0.486 4.825 4.340 -0.000 0.000 0.268 118 L C -2.014 174.780 176.870 -0.128 0.000 1.010 118 L CA -1.932 52.847 54.840 -0.101 0.000 0.814 118 L CB 1.327 43.318 42.059 -0.112 0.000 1.304 118 L HN -0.135 nan 8.230 nan 0.000 0.441 119 P HA -0.047 nan 4.420 nan 0.000 0.265 119 P C -0.173 177.002 177.300 -0.209 0.000 1.187 119 P CA -0.026 62.924 63.100 -0.250 0.000 0.766 119 P CB 0.390 31.745 31.700 -0.576 0.000 0.820 120 Q N 1.161 120.888 119.800 -0.121 0.000 2.311 120 Q HA -0.146 4.193 4.340 -0.000 0.000 0.203 120 Q C 1.000 176.960 176.000 -0.067 0.000 0.954 120 Q CA 1.207 56.966 55.803 -0.074 0.000 0.885 120 Q CB -0.313 28.410 28.738 -0.025 0.000 0.963 120 Q HN 0.341 nan 8.270 nan 0.000 0.471 121 E N 0.926 121.082 120.200 -0.073 0.000 2.110 121 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 121 E C 1.915 178.458 176.600 -0.095 0.000 0.988 121 E CA 1.198 57.593 56.400 -0.007 0.000 0.804 121 E CB -0.057 29.742 29.700 0.166 0.000 0.745 121 E HN 0.170 nan 8.360 nan 0.000 0.458 122 V N 0.296 120.063 119.914 -0.246 0.000 2.488 122 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 122 V C 2.096 178.104 176.094 -0.143 0.000 1.046 122 V CA 1.576 63.746 62.300 -0.216 0.000 1.053 122 V CB -0.178 31.451 31.823 -0.323 0.000 0.679 122 V HN 0.259 nan 8.190 nan 0.000 0.458 123 Q N -0.202 119.520 119.800 -0.130 0.000 2.050 123 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 123 Q C 2.313 178.252 176.000 -0.101 0.000 0.980 123 Q CA 2.094 57.839 55.803 -0.097 0.000 0.840 123 Q CB -0.123 28.570 28.738 -0.075 0.000 0.898 123 Q HN 0.845 nan 8.270 nan 0.000 0.424 124 Q N -0.209 119.519 119.800 -0.119 0.000 2.369 124 Q HA -0.068 4.272 4.340 -0.000 0.000 0.206 124 Q C 0.556 176.368 176.000 -0.315 0.000 0.963 124 Q CA 0.320 56.011 55.803 -0.186 0.000 0.894 124 Q CB 0.108 28.749 28.738 -0.161 0.000 0.965 124 Q HN 0.113 nan 8.270 nan 0.000 0.475 125 Q N 1.218 120.878 119.800 -0.234 0.000 2.407 125 Q HA 0.351 4.691 4.340 -0.000 0.000 0.214 125 Q C -0.211 175.713 176.000 -0.127 0.000 1.043 125 Q CA 0.509 56.197 55.803 -0.191 0.000 0.983 125 Q CB 0.697 29.381 28.738 -0.091 0.000 1.211 125 Q HN 0.386 nan 8.270 nan 0.000 0.564 126 G N 0.298 109.046 108.800 -0.085 0.000 2.508 126 G HA2 0.389 4.349 3.960 -0.000 0.000 0.301 126 G HA3 0.389 4.349 3.960 -0.000 0.000 0.301 126 G C -0.816 174.057 174.900 -0.044 0.000 0.965 126 G CA -0.381 44.684 45.100 -0.059 0.000 1.339 126 G HN 0.322 nan 8.290 nan 0.000 0.455 127 V N 2.147 122.033 119.914 -0.045 0.000 2.465 127 V HA 0.612 4.731 4.120 -0.000 0.000 0.279 127 V C 0.277 176.356 176.094 -0.025 0.000 1.045 127 V CA -0.478 61.802 62.300 -0.034 0.000 0.938 127 V CB 1.203 33.003 31.823 -0.037 0.000 0.986 127 V HN 0.674 nan 8.190 nan 0.000 0.467 128 S N 2.815 118.506 115.700 -0.016 0.000 2.546 128 S HA 0.786 5.256 4.470 -0.000 0.000 0.274 128 S C -0.873 173.725 174.600 -0.004 0.000 1.121 128 S CA -0.690 57.504 58.200 -0.010 0.000 0.887 128 S CB 2.197 65.391 63.200 -0.009 0.000 1.094 128 S HN 0.475 nan 8.310 nan 0.000 0.474 129 V N 2.584 122.497 119.914 -0.002 0.000 2.524 129 V HA 0.564 4.684 4.120 -0.000 0.000 0.297 129 V C -0.553 175.541 176.094 -0.001 0.000 1.035 129 V CA -0.595 61.706 62.300 0.002 0.000 0.867 129 V CB 1.461 33.286 31.823 0.003 0.000 1.004 129 V HN 1.038 nan 8.190 nan 0.000 0.426 130 E N 3.259 123.460 120.200 0.001 0.000 2.442 130 E HA 0.719 5.069 4.350 -0.000 0.000 0.271 130 E C -1.660 174.937 176.600 -0.006 0.000 1.002 130 E CA -1.403 54.997 56.400 -0.001 0.000 0.864 130 E CB 1.783 31.488 29.700 0.009 0.000 1.573 130 E HN 0.262 nan 8.360 nan 0.000 0.456 131 K N 1.060 121.457 120.400 -0.006 0.000 2.263 131 K HA 0.324 4.644 4.320 -0.000 0.000 0.272 131 K C -0.707 175.895 176.600 0.004 0.000 1.033 131 K CA -0.357 55.922 56.287 -0.013 0.000 0.884 131 K CB 1.687 34.174 32.500 -0.021 0.000 1.107 131 K HN 0.451 nan 8.250 nan 0.000 0.460 132 S N 1.685 117.391 115.700 0.009 0.000 2.584 132 S HA 0.455 4.925 4.470 -0.000 0.000 0.273 132 S C -0.276 174.330 174.600 0.011 0.000 1.311 132 S CA -0.285 57.927 58.200 0.020 0.000 1.034 132 S CB 0.452 63.675 63.200 0.038 0.000 0.939 132 S HN 0.397 nan 8.310 nan 0.000 0.513 133 S N 2.546 118.247 115.700 0.002 0.000 2.730 133 S HA 0.161 4.630 4.470 -0.000 0.000 0.150 133 S C -0.619 173.951 174.600 -0.049 0.000 1.139 133 S CA -0.624 57.568 58.200 -0.013 0.000 1.155 133 S CB 0.363 63.560 63.200 -0.006 0.000 1.682 133 S HN 0.703 nan 8.310 nan 0.000 0.452 134 S N 3.718 119.402 115.700 -0.027 0.000 2.986 134 S HA 0.175 4.645 4.470 -0.000 0.000 0.334 134 S C 0.318 174.831 174.600 -0.145 0.000 0.946 134 S CA 0.419 58.600 58.200 -0.031 0.000 1.968 134 S CB -0.834 62.380 63.200 0.024 0.000 1.320 134 S HN 0.970 nan 8.310 nan 0.000 0.662 135 S N 1.306 116.860 115.700 -0.244 0.000 2.523 135 S HA 0.283 4.753 4.470 -0.000 0.000 0.335 135 S C -0.601 173.856 174.600 -0.239 0.000 0.817 135 S CA -1.037 57.043 58.200 -0.200 0.000 0.800 135 S CB -0.763 62.399 63.200 -0.064 0.000 1.106 135 S HN 0.227 nan 8.310 nan 0.000 0.490 136 F N 2.568 122.529 119.950 0.019 0.000 2.352 136 F HA 0.752 5.278 4.527 -0.001 0.000 0.304 136 F C 1.522 177.242 175.800 -0.133 0.000 1.215 136 F CA -0.375 57.570 58.000 -0.091 0.000 1.121 136 F CB 0.435 39.294 39.000 -0.235 0.000 1.329 136 F HN 0.673 nan 8.300 nan 0.000 0.528 137 L N -1.904 119.377 121.223 0.098 0.000 2.923 137 L HA 0.381 4.720 4.340 -0.000 0.000 0.161 137 L C -0.000 176.911 176.870 0.069 0.000 1.202 137 L CA -0.613 54.290 54.840 0.105 0.000 0.920 137 L CB -0.117 42.024 42.059 0.136 0.000 1.773 137 L HN 0.250 nan 8.230 nan 0.000 0.532 138 M N 2.928 122.571 119.600 0.071 0.000 2.120 138 M HA 0.373 4.853 4.480 -0.000 0.000 0.354 138 M C -1.136 175.146 176.300 -0.031 0.000 1.287 138 M CA -0.143 55.187 55.300 0.050 0.000 1.103 138 M CB 1.561 34.205 32.600 0.074 0.000 1.623 138 M HN 0.109 nan 8.290 nan 0.000 0.471 139 V N 5.598 125.443 119.914 -0.116 0.000 2.315 139 V HA 0.182 4.302 4.120 -0.000 0.000 0.265 139 V C -0.125 175.734 176.094 -0.392 0.000 1.019 139 V CA -0.696 61.436 62.300 -0.280 0.000 0.824 139 V CB 1.040 32.647 31.823 -0.361 0.000 1.072 139 V HN 0.596 nan 8.190 nan 0.000 0.448 140 V N 3.181 122.904 119.914 -0.318 0.000 2.352 140 V HA 0.416 4.535 4.120 -0.000 0.000 0.253 140 V C 1.330 177.120 176.094 -0.507 0.000 1.083 140 V CA -0.133 61.940 62.300 -0.380 0.000 0.993 140 V CB 0.532 32.208 31.823 -0.245 0.000 1.111 140 V HN 0.753 nan 8.190 nan 0.000 0.490 141 G N 3.838 112.231 108.800 -0.678 0.000 2.441 141 G HA2 0.440 4.400 3.960 -0.000 0.000 0.243 141 G HA3 0.440 4.400 3.960 -0.000 0.000 0.243 141 G C -0.503 174.136 174.900 -0.434 0.000 1.281 141 G CA -0.173 44.583 45.100 -0.572 0.000 0.854 141 G HN 0.646 nan 8.290 nan 0.000 0.560 142 V N 4.016 123.777 119.914 -0.254 0.000 2.482 142 V HA 0.481 4.601 4.120 -0.000 0.000 0.295 142 V C 0.372 176.397 176.094 -0.116 0.000 1.026 142 V CA -0.671 61.508 62.300 -0.202 0.000 0.856 142 V CB 0.746 32.452 31.823 -0.195 0.000 1.001 142 V HN 0.843 nan 8.190 nan 0.000 0.424 143 I N 1.147 121.669 120.570 -0.081 0.000 3.436 143 I HA 0.753 4.923 4.170 -0.000 0.000 0.296 143 I C -0.785 175.341 176.117 0.015 0.000 1.143 143 I CA -0.737 60.566 61.300 0.004 0.000 1.009 143 I CB 2.409 40.467 38.000 0.095 0.000 1.301 143 I HN 0.550 nan 8.210 nan 0.000 0.503 144 N N -0.020 118.704 118.700 0.040 0.000 2.229 144 N HA 0.385 5.124 4.740 -0.000 0.000 0.298 144 N C -0.348 175.193 175.510 0.053 0.000 1.114 144 N CA 0.180 53.255 53.050 0.041 0.000 0.776 144 N CB 2.515 41.019 38.487 0.029 0.000 1.501 144 N HN 0.938 nan 8.380 nan 0.000 0.474 145 T N -0.941 113.644 114.554 0.052 0.000 3.174 145 T HA 0.087 4.437 4.350 -0.000 0.000 0.252 145 T C 0.955 175.679 174.700 0.041 0.000 0.984 145 T CA 0.435 62.566 62.100 0.051 0.000 1.113 145 T CB -0.094 68.808 68.868 0.057 0.000 1.088 145 T HN 0.405 nan 8.240 nan 0.000 0.442 146 D N 2.094 122.518 120.400 0.040 0.000 2.454 146 D HA 0.225 4.865 4.640 -0.000 0.000 0.247 146 D C 1.525 177.843 176.300 0.029 0.000 1.143 146 D CA 0.921 54.941 54.000 0.034 0.000 0.972 146 D CB -0.588 40.233 40.800 0.035 0.000 1.070 146 D HN 0.493 nan 8.370 nan 0.000 0.433 147 G N 1.019 109.837 108.800 0.030 0.000 2.821 147 G HA2 0.254 4.214 3.960 -0.000 0.000 0.289 147 G HA3 0.254 4.214 3.960 -0.000 0.000 0.289 147 G C -0.040 174.873 174.900 0.022 0.000 0.771 147 G CA -0.149 44.965 45.100 0.024 0.000 1.908 147 G HN 0.171 nan 8.290 nan 0.000 0.539 148 T N 3.602 118.170 114.554 0.023 0.000 2.946 148 T HA 0.368 4.718 4.350 -0.000 0.000 0.311 148 T C 0.656 175.371 174.700 0.025 0.000 1.063 148 T CA 0.553 62.668 62.100 0.025 0.000 1.139 148 T CB 0.389 69.272 68.868 0.024 0.000 0.994 148 T HN 0.603 nan 8.240 nan 0.000 0.547 149 M N 0.725 120.341 119.600 0.026 0.000 2.569 149 M HA 0.512 4.992 4.480 -0.000 0.000 0.279 149 M C 0.004 176.322 176.300 0.030 0.000 1.253 149 M CA -1.239 54.079 55.300 0.030 0.000 0.867 149 M CB 1.789 34.402 32.600 0.021 0.000 1.727 149 M HN 0.576 nan 8.290 nan 0.000 0.467 150 T N -1.399 113.180 114.554 0.041 0.000 2.770 150 T HA 0.292 4.642 4.350 -0.000 0.000 0.281 150 T C 0.301 175.013 174.700 0.021 0.000 0.981 150 T CA -0.634 61.489 62.100 0.040 0.000 0.955 150 T CB 0.596 69.503 68.868 0.065 0.000 1.060 150 T HN 0.816 nan 8.240 nan 0.000 0.531 151 Q N 0.378 120.189 119.800 0.018 0.000 3.026 151 Q HA 0.415 4.755 4.340 -0.000 0.000 0.258 151 Q C -0.149 175.845 176.000 -0.010 0.000 1.388 151 Q CA -0.304 55.498 55.803 -0.002 0.000 1.000 151 Q CB 0.189 28.923 28.738 -0.007 0.000 1.634 151 Q HN 0.894 nan 8.270 nan 0.000 0.571 152 E N 0.585 120.761 120.200 -0.040 0.000 1.368 152 E HA -0.099 4.251 4.350 -0.000 0.000 0.220 152 E C 0.497 176.957 176.600 -0.234 0.000 1.057 152 E CA 0.490 56.838 56.400 -0.088 0.000 1.187 152 E CB -0.546 29.183 29.700 0.048 0.000 4.589 152 E HN 0.403 nan 8.360 nan 0.000 0.729 153 D N 0.691 121.039 120.400 -0.087 0.000 2.117 153 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 153 D C 1.894 178.117 176.300 -0.128 0.000 0.987 153 D CA 1.582 55.527 54.000 -0.092 0.000 0.829 153 D CB 0.146 40.978 40.800 0.052 0.000 0.961 153 D HN 0.309 nan 8.370 nan 0.000 0.460 154 I N 1.020 121.543 120.570 -0.078 0.000 2.233 154 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 154 I C 2.423 178.483 176.117 -0.095 0.000 1.093 154 I CA 0.598 61.866 61.300 -0.054 0.000 1.380 154 I CB -0.143 37.831 38.000 -0.044 0.000 1.067 154 I HN -0.133 nan 8.210 nan 0.000 0.413 155 S N 0.387 116.013 115.700 -0.123 0.000 2.402 155 S HA -0.274 4.196 4.470 -0.000 0.000 0.233 155 S C 1.580 176.077 174.600 -0.171 0.000 1.030 155 S CA 1.938 60.064 58.200 -0.124 0.000 1.003 155 S CB -0.536 62.592 63.200 -0.119 0.000 0.813 155 S HN 0.600 nan 8.310 nan 0.000 0.477 156 D N 0.211 120.436 120.400 -0.291 0.000 2.120 156 D HA -0.154 4.486 4.640 -0.000 0.000 0.202 156 D C 1.860 178.106 176.300 -0.090 0.000 0.972 156 D CA 0.685 54.501 54.000 -0.307 0.000 0.837 156 D CB -0.336 39.995 40.800 -0.782 0.000 0.989 156 D HN 0.318 nan 8.370 nan 0.000 0.469 157 Y N 0.675 120.853 120.300 -0.202 0.000 2.293 157 Y HA -0.036 4.513 4.550 -0.000 0.000 0.291 157 Y C 2.088 177.904 175.900 -0.139 0.000 1.137 157 Y CA 0.697 58.712 58.100 -0.143 0.000 1.202 157 Y CB -0.627 37.739 38.460 -0.158 0.000 0.990 157 Y HN -0.048 nan 8.280 nan 0.000 0.537 158 V N 0.314 120.090 119.914 -0.231 0.000 2.287 158 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 158 V C 2.264 178.258 176.094 -0.167 0.000 1.053 158 V CA 2.084 64.229 62.300 -0.259 0.000 1.027 158 V CB -1.216 30.512 31.823 -0.159 0.000 0.646 158 V HN 0.518 nan 8.190 nan 0.000 0.447 159 A N -1.415 121.342 122.820 -0.104 0.000 2.370 159 A HA 0.634 4.954 4.320 -0.000 0.000 0.238 159 A C 1.112 178.673 177.584 -0.039 0.000 1.289 159 A CA 0.714 52.715 52.037 -0.060 0.000 0.885 159 A CB -0.168 18.805 19.000 -0.045 0.000 0.961 159 A HN 0.645 nan 8.150 nan 0.000 0.499 160 A N -0.572 122.223 122.820 -0.041 0.000 2.843 160 A HA 0.557 4.877 4.320 -0.000 0.000 0.248 160 A C 0.173 177.767 177.584 0.017 0.000 0.904 160 A CA 0.304 52.349 52.037 0.012 0.000 1.091 160 A CB -0.235 18.805 19.000 0.066 0.000 1.208 160 A HN 0.417 nan 8.150 nan 0.000 0.476 161 N N -1.751 116.915 118.700 -0.056 0.000 2.454 161 N HA 0.018 4.758 4.740 -0.000 0.000 0.321 161 N C 1.013 176.483 175.510 -0.066 0.000 0.690 161 N CA 1.004 54.013 53.050 -0.067 0.000 0.556 161 N CB -0.168 38.190 38.487 -0.215 0.000 2.430 161 N HN 0.195 nan 8.380 nan 0.000 1.189 162 M N 0.094 119.631 119.600 -0.104 0.000 3.058 162 M HA 0.259 4.738 4.480 -0.000 0.000 0.242 162 M C 1.843 178.124 176.300 -0.031 0.000 1.512 162 M CA 0.394 55.661 55.300 -0.054 0.000 1.274 162 M CB -0.129 32.425 32.600 -0.075 0.000 1.179 162 M HN 0.053 nan 8.290 nan 0.000 0.573 163 K N 1.222 121.599 120.400 -0.040 0.000 2.089 163 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 163 K C 1.294 177.892 176.600 -0.002 0.000 1.048 163 K CA 2.418 58.698 56.287 -0.012 0.000 0.926 163 K CB -0.137 32.356 32.500 -0.012 0.000 0.714 163 K HN 0.154 nan 8.250 nan 0.000 0.448 164 D N -0.448 119.947 120.400 -0.008 0.000 2.104 164 D HA -0.152 4.487 4.640 -0.000 0.000 0.194 164 D C 1.732 178.033 176.300 0.002 0.000 0.994 164 D CA 1.722 55.721 54.000 -0.003 0.000 0.830 164 D CB -0.094 40.703 40.800 -0.006 0.000 0.959 164 D HN 0.423 nan 8.370 nan 0.000 0.452 165 A N -0.294 122.527 122.820 0.002 0.000 1.873 165 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 165 A C 2.102 179.694 177.584 0.014 0.000 1.186 165 A CA 0.959 53.000 52.037 0.007 0.000 0.616 165 A CB -0.626 18.379 19.000 0.009 0.000 0.823 165 A HN 0.189 nan 8.150 nan 0.000 0.442 166 I N 1.195 121.775 120.570 0.017 0.000 2.142 166 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 166 I C 2.907 179.042 176.117 0.030 0.000 1.078 166 I CA 2.037 63.353 61.300 0.026 0.000 1.343 166 I CB -0.681 37.337 38.000 0.030 0.000 1.046 166 I HN 0.471 nan 8.210 nan 0.000 0.405 167 S N 0.550 116.267 115.700 0.029 0.000 2.389 167 S HA -0.345 4.124 4.470 -0.000 0.000 0.231 167 S C 2.178 176.792 174.600 0.024 0.000 1.052 167 S CA 1.742 59.961 58.200 0.031 0.000 1.053 167 S CB -0.760 62.456 63.200 0.025 0.000 0.886 167 S HN 0.450 nan 8.310 nan 0.000 0.456 168 R N 1.326 121.837 120.500 0.018 0.000 2.060 168 R HA 0.006 4.345 4.340 -0.000 0.000 0.225 168 R C 0.209 176.519 176.300 0.016 0.000 1.155 168 R CA 1.361 57.469 56.100 0.014 0.000 0.930 168 R CB -1.094 29.212 30.300 0.009 0.000 0.829 168 R HN 0.377 nan 8.270 nan 0.000 0.433 169 T N 2.096 116.660 114.554 0.017 0.000 2.581 169 T HA -0.170 4.180 4.350 -0.000 0.000 0.227 169 T C 0.090 174.803 174.700 0.022 0.000 1.023 169 T CA 1.122 63.233 62.100 0.019 0.000 1.158 169 T CB -0.202 68.680 68.868 0.022 0.000 1.013 169 T HN 0.716 nan 8.240 nan 0.000 0.462 170 S N 1.687 117.398 115.700 0.019 0.000 3.292 170 S HA -0.149 4.320 4.470 -0.000 0.000 0.360 170 S C 1.105 175.719 174.600 0.023 0.000 0.930 170 S CA 0.676 58.888 58.200 0.020 0.000 1.317 170 S CB -2.108 61.105 63.200 0.023 0.000 0.920 170 S HN 2.488 nan 8.310 nan 0.000 0.540 171 G N 0.236 109.047 108.800 0.019 0.000 2.424 171 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.294 171 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.294 171 G C 0.129 175.044 174.900 0.025 0.000 0.939 171 G CA -0.022 45.089 45.100 0.018 0.000 1.143 171 G HN 1.714 nan 8.290 nan 0.000 0.507 172 V N 0.651 120.584 119.914 0.030 0.000 2.427 172 V HA 0.446 4.566 4.120 -0.000 0.000 0.268 172 V C 1.958 178.074 176.094 0.037 0.000 1.046 172 V CA 0.589 62.914 62.300 0.042 0.000 0.970 172 V CB 0.811 32.663 31.823 0.049 0.000 1.001 172 V HN 0.554 nan 8.190 nan 0.000 0.476 173 G N 4.984 113.808 108.800 0.039 0.000 2.511 173 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 173 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 173 G C 0.267 175.188 174.900 0.035 0.000 1.218 173 G CA 1.206 46.324 45.100 0.030 0.000 0.788 173 G HN 0.912 nan 8.290 nan 0.000 0.560 174 D N -2.388 118.045 120.400 0.055 0.000 2.886 174 D HA 0.404 5.043 4.640 -0.000 0.000 0.216 174 D C -0.955 175.403 176.300 0.096 0.000 1.256 174 D CA -0.815 53.221 54.000 0.059 0.000 0.844 174 D CB 1.679 42.507 40.800 0.046 0.000 1.669 174 D HN 0.091 nan 8.370 nan 0.000 0.513 175 V N 1.387 121.351 119.914 0.084 0.000 2.649 175 V HA 0.397 4.516 4.120 -0.000 0.000 0.292 175 V C 0.090 176.250 176.094 0.109 0.000 1.055 175 V CA -0.131 62.235 62.300 0.110 0.000 1.023 175 V CB 1.324 33.192 31.823 0.075 0.000 0.992 175 V HN 0.658 nan 8.190 nan 0.000 0.480 176 Q N 3.720 123.622 119.800 0.170 0.000 2.245 176 Q HA 0.483 4.823 4.340 -0.000 0.000 0.256 176 Q C -1.271 174.772 176.000 0.071 0.000 0.942 176 Q CA -0.292 55.561 55.803 0.082 0.000 0.896 176 Q CB 1.523 30.356 28.738 0.158 0.000 1.272 176 Q HN 0.599 nan 8.270 nan 0.000 0.442 177 L N 4.940 126.108 121.223 -0.092 0.000 2.341 177 L HA 0.557 4.896 4.340 -0.000 0.000 0.278 177 L C -1.442 175.340 176.870 -0.148 0.000 1.005 177 L CA -0.535 54.305 54.840 0.000 0.000 0.818 177 L CB 0.771 42.812 42.059 -0.030 0.000 1.259 177 L HN 0.698 nan 8.230 nan 0.000 0.418 178 F N 2.990 122.915 119.950 -0.042 0.000 2.427 178 F HA 0.671 5.198 4.527 -0.000 0.000 0.346 178 F C 1.032 176.790 175.800 -0.069 0.000 1.120 178 F CA 0.329 58.306 58.000 -0.037 0.000 1.033 178 F CB 1.414 40.427 39.000 0.023 0.000 1.126 178 F HN 0.763 nan 8.300 nan 0.000 0.462 179 G N 1.728 110.547 108.800 0.032 0.000 2.525 179 G HA2 0.018 3.978 3.960 -0.000 0.000 0.248 179 G HA3 0.018 3.978 3.960 -0.000 0.000 0.248 179 G C -0.534 174.312 174.900 -0.089 0.000 1.238 179 G CA -0.167 44.908 45.100 -0.042 0.000 0.926 179 G HN 0.983 nan 8.290 nan 0.000 0.574 180 S N -1.613 114.014 115.700 -0.122 0.000 2.565 180 S HA 0.558 5.027 4.470 -0.000 0.000 0.269 180 S C -0.355 174.166 174.600 -0.131 0.000 1.153 180 S CA 0.627 58.755 58.200 -0.120 0.000 0.835 180 S CB 1.662 64.778 63.200 -0.140 0.000 1.122 180 S HN 1.053 nan 8.310 nan 0.000 0.462 181 Q N 1.410 121.165 119.800 -0.075 0.000 2.421 181 Q HA 0.257 4.597 4.340 -0.000 0.000 0.255 181 Q C -0.958 175.057 176.000 0.024 0.000 1.013 181 Q CA -0.112 55.658 55.803 -0.055 0.000 0.895 181 Q CB 0.286 29.027 28.738 0.005 0.000 1.271 181 Q HN 0.656 nan 8.270 nan 0.000 0.460 182 Y N 0.389 120.708 120.300 0.032 0.000 2.385 182 Y HA 0.346 4.896 4.550 -0.000 0.000 0.346 182 Y C 0.146 176.114 175.900 0.112 0.000 1.270 182 Y CA 0.002 58.136 58.100 0.056 0.000 1.472 182 Y CB 0.965 39.472 38.460 0.079 0.000 1.354 182 Y HN 0.659 nan 8.280 nan 0.000 0.611 183 A N 2.405 125.418 122.820 0.321 0.000 2.532 183 A HA 0.444 4.764 4.320 -0.000 0.000 0.296 183 A C -1.071 176.516 177.584 0.005 0.000 1.058 183 A CA -0.961 51.225 52.037 0.249 0.000 0.729 183 A CB 0.763 19.952 19.000 0.316 0.000 1.285 183 A HN 0.658 nan 8.150 nan 0.000 0.396 184 M N 2.169 121.615 119.600 -0.257 0.000 2.921 184 M HA 0.197 4.677 4.480 -0.000 0.000 0.319 184 M C 0.247 176.200 176.300 -0.578 0.000 1.710 184 M CA 0.510 55.347 55.300 -0.772 0.000 1.471 184 M CB -0.988 30.576 32.600 -1.727 0.000 1.832 184 M HN 0.553 nan 8.290 nan 0.000 0.467 185 R N 4.136 124.361 120.500 -0.459 0.000 2.357 185 R HA 0.658 4.998 4.340 -0.000 0.000 0.296 185 R C -1.208 174.607 176.300 -0.809 0.000 1.052 185 R CA -0.019 55.736 56.100 -0.575 0.000 0.988 185 R CB 0.560 30.570 30.300 -0.483 0.000 1.025 185 R HN 0.757 nan 8.270 nan 0.000 0.469 186 I N 3.182 123.224 120.570 -0.881 0.000 2.509 186 I HA 0.344 4.514 4.170 -0.000 0.000 0.293 186 I C -0.787 174.921 176.117 -0.681 0.000 1.020 186 I CA -0.521 60.382 61.300 -0.661 0.000 1.088 186 I CB 1.944 39.744 38.000 -0.333 0.000 1.267 186 I HN 0.577 nan 8.210 nan 0.000 0.430 187 W N 6.795 128.081 121.300 -0.023 0.000 2.416 187 W HA 0.481 5.141 4.660 -0.001 0.000 0.294 187 W C -0.371 176.142 176.519 -0.011 0.000 0.966 187 W CA -0.749 56.588 57.345 -0.013 0.000 1.686 187 W CB 0.673 30.119 29.460 -0.022 0.000 1.612 187 W HN 0.176 nan 8.180 nan 0.000 0.420 188 M N 3.071 122.789 119.600 0.198 0.000 2.474 188 M HA -0.053 4.427 4.480 -0.000 0.000 0.352 188 M C 0.634 176.958 176.300 0.039 0.000 1.690 188 M CA 0.644 56.025 55.300 0.136 0.000 1.112 188 M CB -0.083 32.635 32.600 0.197 0.000 2.062 188 M HN 0.232 nan 8.290 nan 0.000 0.461 189 N N 5.824 124.451 118.700 -0.121 0.000 2.442 189 N HA 0.144 4.883 4.740 -0.000 0.000 0.265 189 N C -1.990 173.203 175.510 -0.529 0.000 1.138 189 N CA -1.740 51.039 53.050 -0.452 0.000 0.956 189 N CB 1.204 39.521 38.487 -0.283 0.000 1.067 189 N HN 0.279 nan 8.380 nan 0.000 0.474 190 P HA 0.025 nan 4.420 nan 0.000 0.218 190 P C 0.706 177.726 177.300 -0.467 0.000 1.152 190 P CA 0.814 63.358 63.100 -0.925 0.000 0.826 190 P CB 0.454 31.079 31.700 -1.793 0.000 0.790 191 N N -0.065 118.372 118.700 -0.439 0.000 2.188 191 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 191 N C 1.571 177.065 175.510 -0.028 0.000 1.018 191 N CA 0.997 53.958 53.050 -0.148 0.000 0.858 191 N CB -0.582 37.848 38.487 -0.095 0.000 0.989 191 N HN 0.214 nan 8.380 nan 0.000 0.426 192 E N 0.753 120.920 120.200 -0.054 0.000 2.204 192 E HA -0.031 4.318 4.350 -0.000 0.000 0.194 192 E C 2.065 178.771 176.600 0.176 0.000 0.989 192 E CA 0.247 56.703 56.400 0.093 0.000 0.824 192 E CB -0.005 29.714 29.700 0.030 0.000 0.756 192 E HN 0.410 nan 8.360 nan 0.000 0.477 193 L N 0.671 121.943 121.223 0.082 0.000 2.109 193 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 193 L C 2.410 179.405 176.870 0.208 0.000 1.086 193 L CA 0.878 55.800 54.840 0.136 0.000 0.760 193 L CB -0.389 41.748 42.059 0.129 0.000 0.910 193 L HN 0.161 nan 8.230 nan 0.000 0.437 194 N N 0.910 119.726 118.700 0.194 0.000 2.171 194 N HA -0.206 4.533 4.740 -0.000 0.000 0.184 194 N C 1.854 177.447 175.510 0.138 0.000 1.021 194 N CA 0.865 54.040 53.050 0.208 0.000 0.854 194 N CB 0.122 38.790 38.487 0.300 0.000 0.994 194 N HN 0.300 nan 8.380 nan 0.000 0.426 195 K N -0.618 119.850 120.400 0.113 0.000 2.555 195 K HA -0.063 4.256 4.320 -0.000 0.000 0.193 195 K C 0.335 176.785 176.600 -0.249 0.000 1.032 195 K CA 0.857 57.107 56.287 -0.062 0.000 1.004 195 K CB -0.031 32.398 32.500 -0.118 0.000 0.804 195 K HN 0.223 nan 8.250 nan 0.000 0.496 196 F N 0.770 120.732 119.950 0.021 0.000 2.712 196 F HA 0.247 4.774 4.527 -0.000 0.000 0.297 196 F C -0.445 175.372 175.800 0.028 0.000 1.114 196 F CA -0.300 57.712 58.000 0.020 0.000 1.305 196 F CB 0.362 39.373 39.000 0.018 0.000 1.086 196 F HN -0.015 nan 8.300 nan 0.000 0.599 197 Q N 1.152 121.082 119.800 0.217 0.000 2.205 197 Q HA 0.004 4.343 4.340 -0.000 0.000 0.295 197 Q C -1.242 174.848 176.000 0.151 0.000 1.133 197 Q CA 0.119 56.011 55.803 0.149 0.000 0.628 197 Q CB -1.460 27.337 28.738 0.098 0.000 0.880 197 Q HN 0.341 nan 8.270 nan 0.000 0.329 198 L N 0.078 121.398 121.223 0.163 0.000 2.720 198 L HA 0.790 5.129 4.340 -0.000 0.000 0.261 198 L C -0.207 176.760 176.870 0.162 0.000 1.046 198 L CA -0.656 54.267 54.840 0.139 0.000 0.886 198 L CB 2.568 44.694 42.059 0.110 0.000 1.493 198 L HN 0.476 nan 8.230 nan 0.000 0.407 199 T N -3.435 111.202 114.554 0.138 0.000 2.888 199 T HA 0.466 4.815 4.350 -0.000 0.000 0.288 199 T C -2.524 172.248 174.700 0.120 0.000 1.063 199 T CA -1.673 60.521 62.100 0.157 0.000 1.010 199 T CB 1.878 70.832 68.868 0.142 0.000 1.214 199 T HN 0.275 nan 8.240 nan 0.000 0.533 200 P HA 0.075 nan 4.420 nan 0.000 0.229 200 P C 1.402 178.728 177.300 0.044 0.000 1.160 200 P CA 0.175 63.314 63.100 0.064 0.000 0.777 200 P CB -0.149 31.561 31.700 0.016 0.000 0.814 201 V N 0.082 120.027 119.914 0.053 0.000 2.809 201 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 201 V C 1.813 177.926 176.094 0.032 0.000 1.080 201 V CA 1.704 64.028 62.300 0.040 0.000 1.102 201 V CB -0.957 30.893 31.823 0.045 0.000 0.705 201 V HN 0.179 nan 8.190 nan 0.000 0.475 202 D N 0.341 120.763 120.400 0.037 0.000 2.183 202 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 202 D C 2.192 178.499 176.300 0.011 0.000 0.962 202 D CA 1.073 55.089 54.000 0.025 0.000 0.849 202 D CB 0.268 41.087 40.800 0.032 0.000 0.978 202 D HN 0.403 nan 8.370 nan 0.000 0.488 203 V N 1.714 121.636 119.914 0.014 0.000 2.295 203 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 203 V C 2.595 178.688 176.094 -0.001 0.000 1.049 203 V CA 1.096 63.397 62.300 0.002 0.000 1.024 203 V CB -0.502 31.325 31.823 0.007 0.000 0.648 203 V HN 0.110 nan 8.190 nan 0.000 0.447 204 I N 0.549 121.122 120.570 0.004 0.000 2.163 204 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 204 I C 2.580 178.693 176.117 -0.006 0.000 1.085 204 I CA 2.074 63.373 61.300 -0.002 0.000 1.347 204 I CB -0.625 37.379 38.000 0.007 0.000 1.044 204 I HN 0.307 nan 8.210 nan 0.000 0.408 205 T N 0.449 115.002 114.554 -0.001 0.000 2.915 205 T HA -0.070 4.279 4.350 -0.000 0.000 0.269 205 T C 1.908 176.599 174.700 -0.015 0.000 1.071 205 T CA 1.187 63.284 62.100 -0.005 0.000 1.132 205 T CB -0.199 68.670 68.868 0.002 0.000 0.878 205 T HN 0.473 nan 8.240 nan 0.000 0.479 206 A N 1.082 123.891 122.820 -0.018 0.000 2.066 206 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 206 A C 2.107 179.664 177.584 -0.046 0.000 1.157 206 A CA 0.728 52.746 52.037 -0.033 0.000 0.670 206 A CB -0.513 18.466 19.000 -0.034 0.000 0.804 206 A HN 0.578 nan 8.150 nan 0.000 0.453 207 I N -1.388 119.163 120.570 -0.031 0.000 3.030 207 I HA -0.019 4.151 4.170 -0.000 0.000 0.270 207 I C 0.618 176.714 176.117 -0.035 0.000 1.211 207 I CA 0.547 61.830 61.300 -0.028 0.000 1.479 207 I CB -0.158 37.858 38.000 0.027 0.000 1.105 207 I HN 0.100 nan 8.210 nan 0.000 0.447 208 K N 1.927 122.309 120.400 -0.030 0.000 3.129 208 K HA 0.488 4.808 4.320 -0.000 0.000 0.241 208 K C 0.399 176.983 176.600 -0.027 0.000 1.239 208 K CA 0.148 56.418 56.287 -0.027 0.000 1.239 208 K CB 0.794 33.282 32.500 -0.019 0.000 1.347 208 K HN 0.314 nan 8.250 nan 0.000 0.435 209 A N -0.369 122.429 122.820 -0.038 0.000 1.544 209 A HA -0.039 4.281 4.320 -0.000 0.000 0.206 209 A C 1.549 179.101 177.584 -0.053 0.000 1.895 209 A CA -0.179 51.835 52.037 -0.038 0.000 1.585 209 A CB -0.025 18.956 19.000 -0.033 0.000 1.485 209 A HN 0.251 nan 8.150 nan 0.000 0.342 210 Q N -0.217 119.538 119.800 -0.074 0.000 2.165 210 Q HA 0.069 4.409 4.340 -0.000 0.000 0.197 210 Q C 0.412 176.332 176.000 -0.133 0.000 0.952 210 Q CA 0.935 56.677 55.803 -0.103 0.000 0.848 210 Q CB 0.144 28.807 28.738 -0.124 0.000 0.931 210 Q HN 0.526 nan 8.270 nan 0.000 0.470 211 N N 0.664 119.274 118.700 -0.150 0.000 2.807 211 N HA 0.326 5.066 4.740 -0.000 0.000 0.259 211 N C -1.635 173.838 175.510 -0.061 0.000 1.149 211 N CA -0.047 52.910 53.050 -0.155 0.000 1.042 211 N CB 0.487 38.862 38.487 -0.186 0.000 1.367 211 N HN 0.241 nan 8.380 nan 0.000 0.516 212 A N 1.701 124.490 122.820 -0.052 0.000 2.586 212 A HA 0.491 4.811 4.320 -0.000 0.000 0.290 212 A C -1.481 176.089 177.584 -0.022 0.000 1.086 212 A CA -0.795 51.227 52.037 -0.026 0.000 0.665 212 A CB 1.287 20.271 19.000 -0.027 0.000 1.279 212 A HN 0.410 nan 8.150 nan 0.000 0.423 213 Q N 0.444 120.236 119.800 -0.013 0.000 2.333 213 Q HA 0.596 4.936 4.340 -0.000 0.000 0.267 213 Q C -1.373 174.621 176.000 -0.011 0.000 1.012 213 Q CA -0.636 55.160 55.803 -0.012 0.000 0.824 213 Q CB 2.348 31.082 28.738 -0.007 0.000 1.290 213 Q HN 0.545 nan 8.270 nan 0.000 0.449 214 V N 1.335 121.241 119.914 -0.013 0.000 2.555 214 V HA 0.472 4.591 4.120 -0.000 0.000 0.302 214 V C -0.257 175.832 176.094 -0.009 0.000 1.038 214 V CA -0.797 61.496 62.300 -0.011 0.000 0.887 214 V CB 1.758 33.573 31.823 -0.014 0.000 0.991 214 V HN 0.858 nan 8.190 nan 0.000 0.434 215 A N 3.918 126.734 122.820 -0.008 0.000 2.671 215 A HA 0.698 5.018 4.320 -0.000 0.000 0.306 215 A C 0.510 178.090 177.584 -0.007 0.000 1.473 215 A CA 0.086 52.120 52.037 -0.007 0.000 1.155 215 A CB -0.409 18.588 19.000 -0.005 0.000 1.123 215 A HN 1.197 nan 8.150 nan 0.000 0.545 216 A N 2.495 125.310 122.820 -0.007 0.000 2.306 216 A HA 0.698 5.018 4.320 -0.000 0.000 0.314 216 A C 1.077 178.658 177.584 -0.006 0.000 1.164 216 A CA 0.065 52.098 52.037 -0.007 0.000 0.822 216 A CB 0.492 19.487 19.000 -0.008 0.000 1.130 216 A HN 1.120 nan 8.150 nan 0.000 0.496 217 G N 0.603 109.399 108.800 -0.006 0.000 2.913 217 G HA2 0.436 4.396 3.960 -0.000 0.000 0.145 217 G HA3 0.436 4.396 3.960 -0.000 0.000 0.145 217 G C 0.102 174.999 174.900 -0.005 0.000 1.801 217 G CA 0.721 45.818 45.100 -0.005 0.000 1.033 217 G HN 1.207 nan 8.290 nan 0.000 0.495 218 Q N -1.558 118.240 119.800 -0.004 0.000 2.527 218 Q HA 0.472 4.811 4.340 -0.000 0.000 0.280 218 Q C -1.319 174.679 176.000 -0.004 0.000 0.977 218 Q CA -0.897 54.903 55.803 -0.004 0.000 0.837 218 Q CB 1.135 29.870 28.738 -0.004 0.000 1.454 218 Q HN 0.390 nan 8.270 nan 0.000 0.387 219 L N 1.008 122.229 121.223 -0.004 0.000 2.417 219 L HA 0.554 4.893 4.340 -0.000 0.000 0.268 219 L C 0.969 177.837 176.870 -0.003 0.000 1.158 219 L CA 0.400 55.238 54.840 -0.003 0.000 0.819 219 L CB 0.207 42.264 42.059 -0.003 0.000 1.112 219 L HN 1.091 nan 8.230 nan 0.000 0.458 220 G N 2.089 110.888 108.800 -0.003 0.000 2.353 220 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.294 220 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.294 220 G C 0.483 175.382 174.900 -0.002 0.000 1.077 220 G CA -0.082 45.017 45.100 -0.002 0.000 1.098 220 G HN 1.131 nan 8.290 nan 0.000 0.511 221 G N -0.431 108.367 108.800 -0.003 0.000 2.750 221 G HA2 0.415 4.375 3.960 -0.000 0.000 0.250 221 G HA3 0.415 4.375 3.960 -0.000 0.000 0.250 221 G C 1.309 176.207 174.900 -0.002 0.000 1.230 221 G CA 0.766 45.864 45.100 -0.003 0.000 0.883 221 G HN 0.636 nan 8.290 nan 0.000 0.573 222 T N 1.265 115.817 114.554 -0.002 0.000 2.624 222 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 222 T C -1.055 173.644 174.700 -0.002 0.000 1.041 222 T CA 1.755 63.853 62.100 -0.002 0.000 1.159 222 T CB -0.686 68.180 68.868 -0.002 0.000 0.863 222 T HN 0.489 nan 8.240 nan 0.000 0.434 223 P HA 0.388 nan 4.420 nan 0.000 0.285 223 P C -2.420 174.879 177.300 -0.002 0.000 1.448 223 P CA -1.541 61.557 63.100 -0.002 0.000 0.953 223 P CB 1.294 32.993 31.700 -0.002 0.000 1.175 224 P HA 0.281 nan 4.420 nan 0.000 0.341 224 P C -0.762 176.537 177.300 -0.002 0.000 1.332 224 P CA -0.401 62.698 63.100 -0.002 0.000 0.769 224 P CB 0.574 32.273 31.700 -0.002 0.000 1.726 225 V N -2.592 117.321 119.914 -0.002 0.000 2.604 225 V HA 0.386 4.506 4.120 -0.000 0.000 0.305 225 V C -0.020 176.074 176.094 -0.001 0.000 1.043 225 V CA -1.290 61.009 62.300 -0.002 0.000 0.888 225 V CB 1.098 32.920 31.823 -0.002 0.000 0.995 225 V HN 0.316 nan 8.190 nan 0.000 0.429 226 K N 3.178 123.577 120.400 -0.001 0.000 2.405 226 K HA 0.442 4.762 4.320 -0.000 0.000 0.276 226 K C 1.100 177.699 176.600 -0.001 0.000 1.099 226 K CA 0.726 57.012 56.287 -0.001 0.000 1.120 226 K CB -0.246 32.254 32.500 -0.001 0.000 0.877 226 K HN 1.354 nan 8.250 nan 0.000 0.472 227 G N 1.732 110.532 108.800 -0.001 0.000 2.367 227 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.181 227 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.181 227 G C -0.046 174.853 174.900 -0.001 0.000 1.000 227 G CA -0.539 44.561 45.100 -0.001 0.000 0.693 227 G HN 0.537 nan 8.290 nan 0.000 0.480 228 Q N 0.354 120.153 119.800 -0.001 0.000 2.361 228 Q HA 0.572 4.912 4.340 -0.000 0.000 0.276 228 Q C 1.229 177.228 176.000 -0.001 0.000 1.022 228 Q CA 0.787 56.589 55.803 -0.001 0.000 0.898 228 Q CB 1.023 29.760 28.738 -0.002 0.000 1.246 228 Q HN 0.309 nan 8.270 nan 0.000 0.410 229 Q N 1.772 121.571 119.800 -0.001 0.000 2.350 229 Q HA 0.341 4.681 4.340 -0.000 0.000 0.225 229 Q C -0.628 175.372 176.000 -0.001 0.000 0.878 229 Q CA 0.124 55.926 55.803 -0.001 0.000 0.935 229 Q CB 0.522 29.260 28.738 -0.001 0.000 1.099 229 Q HN 0.687 nan 8.270 nan 0.000 0.527 230 L N -0.924 120.298 121.223 -0.002 0.000 2.330 230 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 230 L C -0.998 175.871 176.870 -0.002 0.000 1.013 230 L CA -0.594 54.244 54.840 -0.002 0.000 0.816 230 L CB 1.837 43.895 42.059 -0.002 0.000 1.287 230 L HN -0.066 nan 8.230 nan 0.000 0.435 231 N N 3.211 121.910 118.700 -0.002 0.000 2.629 231 N HA 0.572 5.312 4.740 -0.000 0.000 0.277 231 N C -1.926 173.583 175.510 -0.003 0.000 1.188 231 N CA -0.216 52.833 53.050 -0.002 0.000 0.835 231 N CB 1.916 40.402 38.487 -0.002 0.000 1.420 231 N HN 0.942 nan 8.380 nan 0.000 0.542 232 A N 1.890 124.708 122.820 -0.003 0.000 2.393 232 A HA 0.566 4.886 4.320 -0.000 0.000 0.306 232 A C -0.169 177.413 177.584 -0.004 0.000 1.050 232 A CA -0.617 51.418 52.037 -0.003 0.000 0.724 232 A CB 1.169 20.167 19.000 -0.003 0.000 1.248 232 A HN 0.554 nan 8.150 nan 0.000 0.424 233 S N 2.181 117.879 115.700 -0.004 0.000 2.548 233 S HA 0.573 5.043 4.470 -0.000 0.000 0.277 233 S C 0.022 174.619 174.600 -0.005 0.000 1.315 233 S CA -0.340 57.857 58.200 -0.004 0.000 1.050 233 S CB 0.061 63.258 63.200 -0.005 0.000 0.918 233 S HN 0.499 nan 8.310 nan 0.000 0.497 234 I N 2.710 123.277 120.570 -0.005 0.000 2.575 234 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 234 I C -0.283 175.830 176.117 -0.007 0.000 1.085 234 I CA -0.648 60.648 61.300 -0.006 0.000 1.403 234 I CB 0.491 38.487 38.000 -0.006 0.000 1.409 234 I HN 0.496 nan 8.210 nan 0.000 0.557 235 I N 4.613 125.179 120.570 -0.008 0.000 2.498 235 I HA 0.550 4.720 4.170 -0.000 0.000 0.301 235 I C 0.575 176.686 176.117 -0.011 0.000 0.984 235 I CA -0.127 61.167 61.300 -0.009 0.000 1.204 235 I CB 1.306 39.300 38.000 -0.009 0.000 1.362 235 I HN 0.748 nan 8.210 nan 0.000 0.471 236 A N 4.982 127.794 122.820 -0.012 0.000 3.191 236 A HA 0.525 4.845 4.320 -0.000 0.000 0.191 236 A C -0.101 177.471 177.584 -0.019 0.000 1.221 236 A CA -0.278 51.750 52.037 -0.015 0.000 1.399 236 A CB 0.146 19.138 19.000 -0.014 0.000 1.688 236 A HN 0.596 nan 8.150 nan 0.000 0.593 237 Q N 0.070 119.857 119.800 -0.022 0.000 2.368 237 Q HA 0.474 4.814 4.340 -0.000 0.000 0.237 237 Q C -1.011 174.975 176.000 -0.025 0.000 0.987 237 Q CA 0.269 56.055 55.803 -0.028 0.000 0.896 237 Q CB 0.721 29.439 28.738 -0.033 0.000 1.241 237 Q HN 0.513 nan 8.270 nan 0.000 0.485 238 T N 1.191 115.727 114.554 -0.030 0.000 2.876 238 T HA 0.342 4.692 4.350 -0.000 0.000 0.289 238 T C -0.610 174.078 174.700 -0.021 0.000 1.014 238 T CA -0.731 61.356 62.100 -0.021 0.000 0.986 238 T CB 1.138 69.995 68.868 -0.017 0.000 1.021 238 T HN 0.339 nan 8.240 nan 0.000 0.458 239 R N 2.609 123.109 120.500 0.000 0.000 2.449 239 R HA 0.261 4.601 4.340 -0.000 0.000 0.296 239 R C 0.289 176.627 176.300 0.064 0.000 1.047 239 R CA -0.203 55.916 56.100 0.032 0.000 1.018 239 R CB 0.027 30.355 30.300 0.047 0.000 0.962 239 R HN 0.464 nan 8.270 nan 0.000 0.428 240 L N 2.495 123.758 121.223 0.067 0.000 2.482 240 L HA 0.025 4.365 4.340 -0.000 0.000 0.273 240 L C 1.033 178.089 176.870 0.310 0.000 1.228 240 L CA 0.700 55.573 54.840 0.055 0.000 0.827 240 L CB 0.822 42.702 42.059 -0.298 0.000 1.099 240 L HN 0.825 nan 8.230 nan 0.000 0.494 241 T N -0.762 113.941 114.554 0.248 0.000 3.114 241 T HA 0.077 4.427 4.350 -0.000 0.000 0.240 241 T C 0.702 175.604 174.700 0.338 0.000 0.983 241 T CA 0.032 62.294 62.100 0.270 0.000 1.151 241 T CB 0.429 69.372 68.868 0.125 0.000 0.974 241 T HN 0.633 nan 8.240 nan 0.000 0.442 242 S N 0.697 116.533 115.700 0.227 0.000 2.704 242 S HA 0.421 4.890 4.470 -0.000 0.000 0.305 242 S C 1.143 175.832 174.600 0.149 0.000 1.107 242 S CA -0.564 57.732 58.200 0.160 0.000 0.993 242 S CB 1.427 64.680 63.200 0.087 0.000 1.110 242 S HN 0.220 nan 8.310 nan 0.000 0.534 243 T N 0.164 114.745 114.554 0.045 0.000 2.833 243 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 243 T C 1.598 176.326 174.700 0.046 0.000 1.054 243 T CA 1.960 64.055 62.100 -0.007 0.000 1.135 243 T CB -0.522 68.305 68.868 -0.068 0.000 0.869 243 T HN 0.744 nan 8.240 nan 0.000 0.466 244 E N 0.250 120.473 120.200 0.039 0.000 2.110 244 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 244 E C 1.955 178.569 176.600 0.024 0.000 0.988 244 E CA 1.375 57.790 56.400 0.025 0.000 0.804 244 E CB -0.127 29.582 29.700 0.015 0.000 0.745 244 E HN 0.681 nan 8.360 nan 0.000 0.458 245 E N -0.554 119.667 120.200 0.035 0.000 2.208 245 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 245 E C 1.721 178.253 176.600 -0.112 0.000 0.988 245 E CA 0.627 57.004 56.400 -0.037 0.000 0.828 245 E CB -0.112 29.557 29.700 -0.052 0.000 0.763 245 E HN 0.354 nan 8.360 nan 0.000 0.478 246 F N 0.765 120.651 119.950 -0.106 0.000 2.456 246 F HA 0.067 4.594 4.527 -0.000 0.000 0.298 246 F C 2.386 178.119 175.800 -0.113 0.000 1.104 246 F CA 0.849 58.769 58.000 -0.134 0.000 1.435 246 F CB -0.081 38.795 39.000 -0.206 0.000 1.078 246 F HN 0.037 nan 8.300 nan 0.000 0.546 247 G N -0.269 108.569 108.800 0.063 0.000 2.534 247 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 247 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 247 G C 1.083 175.969 174.900 -0.024 0.000 1.128 247 G CA 0.241 45.346 45.100 0.009 0.000 0.784 247 G HN 0.255 nan 8.290 nan 0.000 0.542 248 K N 0.744 121.119 120.400 -0.043 0.000 2.981 248 K HA 0.338 4.658 4.320 -0.000 0.000 0.213 248 K C -0.433 176.118 176.600 -0.083 0.000 1.154 248 K CA -0.311 55.942 56.287 -0.058 0.000 1.111 248 K CB 0.819 33.288 32.500 -0.051 0.000 0.975 248 K HN 0.148 nan 8.250 nan 0.000 0.462 249 I N 1.944 122.461 120.570 -0.088 0.000 2.331 249 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 249 I C -0.144 175.926 176.117 -0.079 0.000 0.998 249 I CA -1.061 60.178 61.300 -0.101 0.000 1.267 249 I CB 0.954 38.888 38.000 -0.110 0.000 1.386 249 I HN 0.110 nan 8.210 nan 0.000 0.476 250 L N 7.593 128.773 121.223 -0.071 0.000 2.363 250 L HA 0.187 4.527 4.340 -0.000 0.000 0.286 250 L C 0.674 177.511 176.870 -0.054 0.000 1.106 250 L CA 0.505 55.310 54.840 -0.059 0.000 0.859 250 L CB 0.280 42.311 42.059 -0.047 0.000 1.223 250 L HN 0.552 nan 8.230 nan 0.000 0.446 251 L N 3.363 124.547 121.223 -0.064 0.000 2.049 251 L HA 0.113 4.453 4.340 -0.000 0.000 0.203 251 L C 1.172 178.022 176.870 -0.034 0.000 1.074 251 L CA 0.929 55.736 54.840 -0.055 0.000 0.749 251 L CB -0.242 41.767 42.059 -0.082 0.000 0.907 251 L HN 0.551 nan 8.230 nan 0.000 0.439 252 K N -0.896 119.482 120.400 -0.036 0.000 2.466 252 K HA 0.557 4.876 4.320 -0.000 0.000 0.277 252 K C -1.749 174.857 176.600 0.010 0.000 1.039 252 K CA -0.597 55.690 56.287 -0.000 0.000 0.904 252 K CB 2.950 35.467 32.500 0.029 0.000 1.506 252 K HN -0.241 nan 8.250 nan 0.000 0.441 253 V N 0.546 120.479 119.914 0.032 0.000 2.568 253 V HA 0.344 4.464 4.120 -0.000 0.000 0.276 253 V C -0.972 175.154 176.094 0.054 0.000 1.002 253 V CA -1.258 61.066 62.300 0.040 0.000 0.879 253 V CB 0.793 32.629 31.823 0.021 0.000 1.040 253 V HN 0.617 nan 8.190 nan 0.000 0.457 254 N N 3.448 122.197 118.700 0.083 0.000 2.458 254 N HA 0.200 4.940 4.740 -0.000 0.000 0.258 254 N C 1.335 176.872 175.510 0.045 0.000 1.219 254 N CA 0.425 53.520 53.050 0.075 0.000 0.902 254 N CB 1.062 39.608 38.487 0.098 0.000 1.076 254 N HN 0.896 nan 8.380 nan 0.000 0.455 255 Q N 1.322 121.141 119.800 0.032 0.000 2.377 255 Q HA -0.365 3.975 4.340 -0.000 0.000 0.225 255 Q C 0.378 176.388 176.000 0.017 0.000 1.097 255 Q CA 2.375 58.190 55.803 0.020 0.000 0.985 255 Q CB -0.902 27.843 28.738 0.013 0.000 1.071 255 Q HN 0.822 nan 8.270 nan 0.000 0.505 256 D N 0.464 120.874 120.400 0.018 0.000 2.504 256 D HA 0.162 4.802 4.640 -0.000 0.000 0.243 256 D C 0.875 177.187 176.300 0.020 0.000 1.203 256 D CA 0.460 54.469 54.000 0.015 0.000 0.847 256 D CB -0.769 40.038 40.800 0.010 0.000 0.973 256 D HN 0.690 nan 8.370 nan 0.000 0.490 257 G N 1.151 109.964 108.800 0.022 0.000 2.361 257 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.294 257 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.294 257 G C 0.328 175.246 174.900 0.030 0.000 1.004 257 G CA 0.709 45.823 45.100 0.023 0.000 0.870 257 G HN 0.750 nan 8.290 nan 0.000 0.510 258 S N -0.717 115.010 115.700 0.045 0.000 2.439 258 S HA 0.594 5.063 4.470 -0.000 0.000 0.282 258 S C 0.394 175.037 174.600 0.073 0.000 1.170 258 S CA -0.749 57.489 58.200 0.063 0.000 1.054 258 S CB 1.588 64.837 63.200 0.083 0.000 0.956 258 S HN 0.452 nan 8.310 nan 0.000 0.490 259 R N 2.527 123.056 120.500 0.048 0.000 2.248 259 R HA 0.340 4.680 4.340 -0.000 0.000 0.328 259 R C -0.760 175.544 176.300 0.006 0.000 1.067 259 R CA -0.374 55.739 56.100 0.022 0.000 0.924 259 R CB 0.633 30.934 30.300 0.003 0.000 1.013 259 R HN 0.614 nan 8.270 nan 0.000 0.454 260 V N 6.244 126.138 119.914 -0.033 0.000 2.432 260 V HA 0.260 4.379 4.120 -0.000 0.000 0.271 260 V C 0.496 176.492 176.094 -0.163 0.000 1.046 260 V CA -0.432 61.759 62.300 -0.182 0.000 0.945 260 V CB 0.749 32.377 31.823 -0.325 0.000 0.992 260 V HN 0.584 nan 8.190 nan 0.000 0.471 261 L N 3.807 124.928 121.223 -0.171 0.000 2.335 261 L HA 0.470 4.809 4.340 -0.000 0.000 0.268 261 L C 1.048 177.835 176.870 -0.137 0.000 1.016 261 L CA -0.831 53.936 54.840 -0.121 0.000 0.805 261 L CB 0.997 43.008 42.059 -0.079 0.000 1.311 261 L HN 0.454 nan 8.230 nan 0.000 0.456 262 L N 0.790 121.958 121.223 -0.091 0.000 2.291 262 L HA -0.000 4.339 4.340 -0.000 0.000 0.214 262 L C 2.458 179.292 176.870 -0.061 0.000 1.120 262 L CA 1.450 56.247 54.840 -0.071 0.000 0.799 262 L CB -0.934 41.105 42.059 -0.033 0.000 0.925 262 L HN 0.661 nan 8.230 nan 0.000 0.446 263 R N -0.643 119.824 120.500 -0.055 0.000 2.090 263 R HA -0.130 4.210 4.340 -0.000 0.000 0.228 263 R C 1.497 177.769 176.300 -0.046 0.000 1.110 263 R CA 1.638 57.716 56.100 -0.037 0.000 0.973 263 R CB -0.340 29.945 30.300 -0.025 0.000 0.869 263 R HN 0.405 nan 8.270 nan 0.000 0.440 264 D N 0.607 120.955 120.400 -0.086 0.000 2.123 264 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 264 D C 1.871 178.107 176.300 -0.106 0.000 0.976 264 D CA 1.711 55.653 54.000 -0.096 0.000 0.831 264 D CB 0.110 40.804 40.800 -0.176 0.000 0.974 264 D HN 0.318 nan 8.370 nan 0.000 0.469 265 V N -1.722 118.097 119.914 -0.158 0.000 3.235 265 V HA 0.444 4.564 4.120 -0.000 0.000 0.259 265 V C 0.605 176.666 176.094 -0.056 0.000 1.133 265 V CA 0.711 62.939 62.300 -0.119 0.000 1.128 265 V CB -0.103 31.630 31.823 -0.151 0.000 0.757 265 V HN 0.111 nan 8.190 nan 0.000 0.469 266 A N -0.070 122.727 122.820 -0.038 0.000 2.594 266 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 266 A C -0.674 176.920 177.584 0.017 0.000 1.071 266 A CA -0.783 51.254 52.037 0.001 0.000 0.685 266 A CB 1.466 20.465 19.000 -0.003 0.000 1.285 266 A HN 0.354 nan 8.150 nan 0.000 0.405 267 K N 0.929 121.375 120.400 0.077 0.000 2.144 267 K HA 0.684 5.003 4.320 -0.000 0.000 0.270 267 K C -1.210 175.405 176.600 0.025 0.000 1.005 267 K CA -0.243 56.104 56.287 0.099 0.000 0.932 267 K CB 0.469 33.100 32.500 0.218 0.000 1.021 267 K HN 0.554 nan 8.250 nan 0.000 0.462 268 I N 4.806 125.373 120.570 -0.005 0.000 2.493 268 I HA 0.178 4.348 4.170 -0.000 0.000 0.279 268 I C -0.635 175.436 176.117 -0.076 0.000 1.045 268 I CA -0.614 60.625 61.300 -0.102 0.000 1.106 268 I CB 1.448 39.392 38.000 -0.093 0.000 1.216 268 I HN 0.748 nan 8.210 nan 0.000 0.459 269 E N 5.651 125.800 120.200 -0.086 0.000 2.299 269 E HA 0.503 4.852 4.350 -0.000 0.000 0.265 269 E C -1.233 175.276 176.600 -0.151 0.000 0.911 269 E CA -1.085 55.285 56.400 -0.050 0.000 0.789 269 E CB 2.795 32.553 29.700 0.096 0.000 1.246 269 E HN 0.264 nan 8.360 nan 0.000 0.427 270 L N 2.505 123.612 121.223 -0.194 0.000 2.375 270 L HA 0.428 4.767 4.340 -0.000 0.000 0.276 270 L C -0.111 176.561 176.870 -0.329 0.000 1.162 270 L CA 0.326 54.957 54.840 -0.348 0.000 0.991 270 L CB 0.029 41.794 42.059 -0.489 0.000 1.315 270 L HN 0.730 nan 8.230 nan 0.000 0.431 271 G N 2.209 110.989 108.800 -0.034 0.000 2.552 271 G HA2 0.577 4.537 3.960 -0.000 0.000 0.324 271 G HA3 0.577 4.537 3.960 -0.000 0.000 0.324 271 G C -0.086 174.992 174.900 0.297 0.000 1.217 271 G CA -0.403 44.862 45.100 0.276 0.000 0.989 271 G HN 0.724 nan 8.290 nan 0.000 0.490 272 G N -1.482 107.370 108.800 0.086 0.000 2.614 272 G HA2 0.304 4.264 3.960 -0.000 0.000 0.239 272 G HA3 0.304 4.264 3.960 -0.000 0.000 0.239 272 G C 0.689 175.447 174.900 -0.237 0.000 1.240 272 G CA 0.381 45.329 45.100 -0.252 0.000 0.842 272 G HN 0.713 nan 8.290 nan 0.000 0.584 273 E N -0.203 119.931 120.200 -0.110 0.000 2.230 273 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 273 E C 0.505 177.019 176.600 -0.144 0.000 0.987 273 E CA 0.288 56.681 56.400 -0.012 0.000 0.841 273 E CB 0.117 29.897 29.700 0.134 0.000 0.783 273 E HN 0.453 nan 8.360 nan 0.000 0.481 274 N N -0.529 118.040 118.700 -0.218 0.000 2.571 274 N HA 0.025 4.765 4.740 -0.000 0.000 0.286 274 N C -1.238 174.169 175.510 -0.172 0.000 1.138 274 N CA -0.346 52.623 53.050 -0.135 0.000 0.859 274 N CB 0.789 39.216 38.487 -0.099 0.000 1.414 274 N HN 0.016 nan 8.380 nan 0.000 0.529 275 Y N 1.113 121.414 120.300 0.003 0.000 2.461 275 Y HA 0.180 4.729 4.550 -0.000 0.000 0.277 275 Y C 1.505 177.394 175.900 -0.019 0.000 1.182 275 Y CA -0.267 57.836 58.100 0.005 0.000 1.276 275 Y CB 0.316 38.790 38.460 0.022 0.000 1.087 275 Y HN 0.468 nan 8.280 nan 0.000 0.519 276 D N 1.001 121.453 120.400 0.087 0.000 2.219 276 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 276 D C 0.354 176.659 176.300 0.008 0.000 0.970 276 D CA 1.174 55.196 54.000 0.036 0.000 0.851 276 D CB 0.125 40.924 40.800 -0.002 0.000 0.943 276 D HN 0.382 nan 8.370 nan 0.000 0.488 277 I N -1.342 119.220 120.570 -0.014 0.000 2.647 277 I HA 0.465 4.635 4.170 -0.000 0.000 0.295 277 I C -0.782 175.326 176.117 -0.015 0.000 1.078 277 I CA -1.470 59.816 61.300 -0.024 0.000 1.048 277 I CB 2.210 40.164 38.000 -0.076 0.000 1.239 277 I HN -0.212 nan 8.210 nan 0.000 0.421 278 I N 1.686 122.250 120.570 -0.011 0.000 2.610 278 I HA 0.943 5.113 4.170 -0.000 0.000 0.289 278 I C -0.613 175.465 176.117 -0.065 0.000 1.163 278 I CA -0.911 60.376 61.300 -0.022 0.000 1.044 278 I CB 1.909 39.903 38.000 -0.010 0.000 1.251 278 I HN 0.813 nan 8.210 nan 0.000 0.424 279 A N 4.159 126.920 122.820 -0.098 0.000 2.324 279 A HA 0.856 5.175 4.320 -0.000 0.000 0.330 279 A C -0.542 176.885 177.584 -0.261 0.000 1.165 279 A CA -0.490 51.386 52.037 -0.268 0.000 0.813 279 A CB 1.018 19.789 19.000 -0.382 0.000 1.197 279 A HN 0.799 nan 8.150 nan 0.000 0.484 280 E N 1.203 121.208 120.200 -0.325 0.000 2.402 280 E HA 0.219 4.568 4.350 -0.000 0.000 0.244 280 E C -1.500 175.010 176.600 -0.151 0.000 0.945 280 E CA -0.286 56.007 56.400 -0.178 0.000 0.774 280 E CB 1.322 30.952 29.700 -0.116 0.000 1.296 280 E HN 0.521 nan 8.360 nan 0.000 0.414 281 F N 3.992 123.817 119.950 -0.208 0.000 2.516 281 F HA 0.096 4.623 4.527 -0.001 0.000 0.351 281 F C -0.032 175.777 175.800 0.014 0.000 1.208 281 F CA -0.473 57.514 58.000 -0.022 0.000 1.073 281 F CB -0.608 38.461 39.000 0.115 0.000 1.203 281 F HN 0.452 nan 8.300 nan 0.000 0.602 282 N N 3.564 122.081 118.700 -0.305 0.000 2.738 282 N HA -0.173 4.566 4.740 -0.000 0.000 0.249 282 N C 0.775 176.203 175.510 -0.136 0.000 1.047 282 N CA 1.125 54.002 53.050 -0.289 0.000 0.707 282 N CB -1.559 36.620 38.487 -0.513 0.000 0.937 282 N HN 1.158 nan 8.380 nan 0.000 0.545 283 G N -1.158 107.598 108.800 -0.073 0.000 2.153 283 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.252 283 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.252 283 G C -0.178 174.708 174.900 -0.024 0.000 0.994 283 G CA 0.674 45.756 45.100 -0.030 0.000 0.698 283 G HN 0.853 nan 8.290 nan 0.000 0.521 284 Q N 0.140 119.927 119.800 -0.022 0.000 2.340 284 Q HA 0.639 4.978 4.340 -0.000 0.000 0.268 284 Q C -2.821 173.194 176.000 0.026 0.000 1.031 284 Q CA -2.480 53.331 55.803 0.013 0.000 0.804 284 Q CB 2.496 31.257 28.738 0.038 0.000 1.286 284 Q HN 0.123 nan 8.270 nan 0.000 0.448 285 P HA 0.247 nan 4.420 nan 0.000 0.268 285 P C -1.420 175.890 177.300 0.017 0.000 1.204 285 P CA 0.220 63.322 63.100 0.003 0.000 0.768 285 P CB 1.075 32.779 31.700 0.007 0.000 0.842 286 A N 1.958 124.773 122.820 -0.009 0.000 2.515 286 A HA 0.719 5.039 4.320 -0.000 0.000 0.292 286 A C -1.314 176.255 177.584 -0.025 0.000 1.065 286 A CA -0.396 51.640 52.037 -0.001 0.000 0.641 286 A CB 0.808 19.840 19.000 0.054 0.000 1.306 286 A HN 0.286 nan 8.150 nan 0.000 0.441 287 S N -1.102 114.592 115.700 -0.010 0.000 2.572 287 S HA 0.742 5.211 4.470 -0.000 0.000 0.274 287 S C 0.154 174.750 174.600 -0.006 0.000 1.150 287 S CA 0.084 58.296 58.200 0.021 0.000 0.944 287 S CB 1.716 64.920 63.200 0.007 0.000 1.071 287 S HN 1.760 nan 8.310 nan 0.000 0.479 288 G N 1.377 110.172 108.800 -0.009 0.000 3.211 288 G HA2 0.839 4.799 3.960 -0.000 0.000 0.167 288 G HA3 0.839 4.799 3.960 -0.000 0.000 0.167 288 G C -1.564 173.254 174.900 -0.137 0.000 1.212 288 G CA -0.611 44.377 45.100 -0.187 0.000 0.928 288 G HN 0.579 nan 8.290 nan 0.000 0.607 289 L N -0.050 121.024 121.223 -0.248 0.000 2.470 289 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 289 L C -0.154 176.688 176.870 -0.046 0.000 0.964 289 L CA -0.766 54.063 54.840 -0.019 0.000 0.839 289 L CB 2.687 44.732 42.059 -0.023 0.000 1.276 289 L HN 0.686 nan 8.230 nan 0.000 0.403 290 G N 4.040 112.995 108.800 0.258 0.000 3.565 290 G HA2 0.523 4.483 3.960 -0.000 0.000 0.346 290 G HA3 0.523 4.483 3.960 -0.000 0.000 0.346 290 G C -0.487 174.594 174.900 0.302 0.000 1.363 290 G CA -0.268 44.905 45.100 0.121 0.000 1.134 290 G HN 0.352 nan 8.290 nan 0.000 0.471 291 I N 1.580 122.290 120.570 0.234 0.000 2.533 291 I HA 0.200 4.370 4.170 -0.000 0.000 0.284 291 I C 0.700 177.022 176.117 0.343 0.000 1.109 291 I CA 0.071 61.518 61.300 0.244 0.000 1.412 291 I CB 1.094 39.177 38.000 0.137 0.000 1.396 291 I HN 0.318 nan 8.210 nan 0.000 0.543 292 K N 6.982 127.547 120.400 0.275 0.000 2.156 292 K HA 0.488 4.808 4.320 -0.000 0.000 0.254 292 K C -0.878 175.776 176.600 0.090 0.000 0.950 292 K CA -0.782 55.600 56.287 0.159 0.000 0.849 292 K CB 1.359 33.916 32.500 0.094 0.000 1.100 292 K HN 0.478 nan 8.250 nan 0.000 0.434 293 L N 2.276 123.531 121.223 0.053 0.000 2.453 293 L HA 0.301 4.641 4.340 -0.000 0.000 0.261 293 L C -0.290 176.599 176.870 0.031 0.000 1.179 293 L CA -0.012 54.856 54.840 0.046 0.000 0.813 293 L CB 1.272 43.357 42.059 0.043 0.000 1.110 293 L HN 0.972 nan 8.230 nan 0.000 0.466 294 A N 1.973 124.809 122.820 0.026 0.000 2.690 294 A HA 0.331 4.651 4.320 -0.000 0.000 0.342 294 A C 0.432 178.017 177.584 0.001 0.000 1.410 294 A CA -0.431 51.613 52.037 0.012 0.000 0.958 294 A CB -0.485 18.522 19.000 0.012 0.000 1.153 294 A HN 0.805 nan 8.150 nan 0.000 0.497 295 T N 1.574 116.125 114.554 -0.005 0.000 2.438 295 T HA 0.004 4.353 4.350 -0.000 0.000 0.541 295 T C 1.410 176.099 174.700 -0.019 0.000 0.947 295 T CA 2.103 64.193 62.100 -0.017 0.000 3.888 295 T CB -1.102 67.743 68.868 -0.039 0.000 0.664 295 T HN 2.202 nan 8.240 nan 0.000 0.209 296 G N 0.169 108.967 108.800 -0.003 0.000 2.138 296 G HA2 0.110 4.070 3.960 -0.000 0.000 0.193 296 G HA3 0.110 4.070 3.960 -0.000 0.000 0.193 296 G C 0.189 175.094 174.900 0.009 0.000 0.998 296 G CA -0.168 44.932 45.100 0.000 0.000 0.668 296 G HN 1.302 nan 8.290 nan 0.000 0.516 297 A N -0.146 122.683 122.820 0.015 0.000 2.259 297 A HA 0.677 4.997 4.320 -0.000 0.000 0.278 297 A C 1.261 178.861 177.584 0.028 0.000 1.107 297 A CA 0.248 52.297 52.037 0.021 0.000 0.828 297 A CB 0.299 19.314 19.000 0.025 0.000 1.111 297 A HN 0.249 nan 8.150 nan 0.000 0.498 298 N N 0.248 118.964 118.700 0.028 0.000 2.461 298 N HA 0.151 4.891 4.740 -0.000 0.000 0.188 298 N C 1.304 176.834 175.510 0.033 0.000 1.134 298 N CA 1.026 54.092 53.050 0.028 0.000 0.878 298 N CB -0.098 38.401 38.487 0.022 0.000 0.972 298 N HN 0.932 nan 8.380 nan 0.000 0.456 299 A N 1.669 124.515 122.820 0.043 0.000 4.599 299 A HA -0.343 3.977 4.320 -0.000 0.000 0.336 299 A C 1.569 179.183 177.584 0.050 0.000 1.823 299 A CA 1.822 53.893 52.037 0.056 0.000 0.766 299 A CB -1.769 17.272 19.000 0.069 0.000 1.419 299 A HN 0.302 nan 8.150 nan 0.000 0.464 300 L N 0.175 121.422 121.223 0.040 0.000 2.079 300 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 300 L C 1.741 178.624 176.870 0.022 0.000 1.081 300 L CA 3.361 58.219 54.840 0.030 0.000 0.752 300 L CB -0.610 41.455 42.059 0.010 0.000 0.896 300 L HN 0.616 nan 8.230 nan 0.000 0.433 301 D N -1.229 119.182 120.400 0.018 0.000 2.162 301 D HA -0.109 4.531 4.640 -0.000 0.000 0.203 301 D C 2.115 178.427 176.300 0.020 0.000 0.967 301 D CA 1.511 55.519 54.000 0.014 0.000 0.840 301 D CB -0.278 40.528 40.800 0.010 0.000 0.972 301 D HN 0.329 nan 8.370 nan 0.000 0.482 302 T N 0.119 114.690 114.554 0.028 0.000 2.708 302 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 302 T C 1.935 176.658 174.700 0.038 0.000 1.037 302 T CA 1.474 63.594 62.100 0.033 0.000 1.146 302 T CB -0.264 68.628 68.868 0.040 0.000 0.865 302 T HN 0.189 nan 8.240 nan 0.000 0.435 303 A N 0.805 123.651 122.820 0.044 0.000 2.119 303 A HA 0.355 4.675 4.320 -0.000 0.000 0.217 303 A C 2.462 180.068 177.584 0.037 0.000 1.153 303 A CA 1.433 53.499 52.037 0.050 0.000 0.692 303 A CB -0.658 18.379 19.000 0.061 0.000 0.799 303 A HN 0.487 nan 8.150 nan 0.000 0.458 304 A N -0.205 122.630 122.820 0.025 0.000 1.929 304 A HA 0.300 4.620 4.320 -0.000 0.000 0.216 304 A C 2.278 179.872 177.584 0.017 0.000 1.176 304 A CA 1.497 53.542 52.037 0.014 0.000 0.628 304 A CB -0.652 18.352 19.000 0.006 0.000 0.816 304 A HN 0.969 nan 8.150 nan 0.000 0.444 305 A N -0.750 122.083 122.820 0.021 0.000 2.208 305 A HA 0.255 4.575 4.320 -0.000 0.000 0.209 305 A C 1.859 179.461 177.584 0.029 0.000 1.161 305 A CA 0.492 52.542 52.037 0.022 0.000 0.782 305 A CB -0.489 18.523 19.000 0.020 0.000 0.816 305 A HN 0.475 nan 8.150 nan 0.000 0.477 306 I N -0.988 119.604 120.570 0.037 0.000 2.252 306 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 306 I C 2.635 178.782 176.117 0.051 0.000 1.102 306 I CA 1.309 62.636 61.300 0.046 0.000 1.385 306 I CB -0.059 37.975 38.000 0.057 0.000 1.064 306 I HN 0.279 nan 8.210 nan 0.000 0.414 307 R N 1.508 122.037 120.500 0.049 0.000 2.115 307 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 307 R C 2.051 178.371 176.300 0.033 0.000 1.100 307 R CA 1.583 57.714 56.100 0.051 0.000 0.980 307 R CB -0.624 29.697 30.300 0.034 0.000 0.875 307 R HN 0.321 nan 8.270 nan 0.000 0.445 308 A N 0.246 123.081 122.820 0.025 0.000 1.873 308 A HA -0.151 4.168 4.320 -0.000 0.000 0.215 308 A C 2.098 179.695 177.584 0.021 0.000 1.186 308 A CA 1.699 53.747 52.037 0.018 0.000 0.616 308 A CB -0.619 18.389 19.000 0.014 0.000 0.823 308 A HN 0.434 nan 8.150 nan 0.000 0.442 309 E N -0.159 120.056 120.200 0.025 0.000 2.047 309 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 309 E C 1.762 178.380 176.600 0.031 0.000 0.987 309 E CA 1.207 57.622 56.400 0.026 0.000 0.799 309 E CB -0.395 29.320 29.700 0.025 0.000 0.752 309 E HN 0.467 nan 8.360 nan 0.000 0.449 310 L N -0.290 120.955 121.223 0.037 0.000 2.465 310 L HA 0.088 4.427 4.340 -0.000 0.000 0.224 310 L C 1.954 178.838 176.870 0.023 0.000 1.145 310 L CA 1.024 55.891 54.840 0.044 0.000 0.834 310 L CB -0.216 41.879 42.059 0.061 0.000 0.944 310 L HN 0.255 nan 8.230 nan 0.000 0.451 311 A N -0.556 122.274 122.820 0.016 0.000 2.015 311 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 311 A C 1.998 179.571 177.584 -0.018 0.000 1.163 311 A CA 1.203 53.238 52.037 -0.004 0.000 0.646 311 A CB -0.194 18.808 19.000 0.003 0.000 0.806 311 A HN 0.311 nan 8.150 nan 0.000 0.448 312 K N -1.127 119.282 120.400 0.014 0.000 2.367 312 K HA 0.287 4.606 4.320 -0.000 0.000 0.194 312 K C 1.383 178.045 176.600 0.103 0.000 1.027 312 K CA 0.409 56.732 56.287 0.061 0.000 1.075 312 K CB -0.193 32.354 32.500 0.078 0.000 0.845 312 K HN 0.522 nan 8.250 nan 0.000 0.529 313 M N 0.792 120.411 119.600 0.031 0.000 2.248 313 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 313 M C 1.654 177.717 176.300 -0.395 0.000 1.079 313 M CA 1.202 56.529 55.300 0.044 0.000 1.150 313 M CB -0.074 32.612 32.600 0.144 0.000 1.366 313 M HN 0.068 nan 8.290 nan 0.000 0.433 314 E N 0.328 120.165 120.200 -0.605 0.000 2.113 314 E HA -0.266 4.083 4.350 -0.000 0.000 0.210 314 E C -0.780 175.252 176.600 -0.946 0.000 1.040 314 E CA 1.735 57.509 56.400 -1.043 0.000 0.847 314 E CB -1.850 27.603 29.700 -0.411 0.000 0.755 314 E HN 0.440 nan 8.360 nan 0.000 0.459 315 P HA -0.104 nan 4.420 nan 0.000 0.221 315 P C 0.612 177.652 177.300 -0.434 0.000 1.150 315 P CA 1.037 63.866 63.100 -0.452 0.000 0.800 315 P CB -0.064 31.320 31.700 -0.527 0.000 0.787 316 F N -1.926 117.969 119.950 -0.092 0.000 2.663 316 F HA 0.183 4.710 4.527 -0.000 0.000 0.299 316 F C 0.774 176.774 175.800 0.333 0.000 1.143 316 F CA -0.446 57.614 58.000 0.100 0.000 1.387 316 F CB -0.622 38.450 39.000 0.120 0.000 1.019 316 F HN -0.226 nan 8.300 nan 0.000 0.523 317 F N 2.340 122.429 119.950 0.231 0.000 2.410 317 F HA 0.310 4.836 4.527 -0.000 0.000 0.334 317 F C -1.114 174.764 175.800 0.130 0.000 1.134 317 F CA -3.650 54.503 58.000 0.254 0.000 1.227 317 F CB -0.427 38.695 39.000 0.203 0.000 1.194 317 F HN -0.085 nan 8.300 nan 0.000 0.571 318 P HA 0.093 nan 4.420 nan 0.000 0.297 318 P C -0.694 176.667 177.300 0.102 0.000 1.303 318 P CA -0.481 62.674 63.100 0.093 0.000 0.753 318 P CB 0.407 32.080 31.700 -0.045 0.000 1.281 319 S N -1.272 114.462 115.700 0.057 0.000 2.498 319 S HA 0.394 4.863 4.470 -0.000 0.000 0.281 319 S C 1.167 175.799 174.600 0.054 0.000 1.265 319 S CA 0.660 58.893 58.200 0.054 0.000 1.071 319 S CB -1.349 61.873 63.200 0.036 0.000 0.894 319 S HN 0.944 nan 8.310 nan 0.000 0.491 320 G N 3.740 112.581 108.800 0.068 0.000 2.279 320 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.223 320 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.223 320 G C 0.142 175.088 174.900 0.077 0.000 1.015 320 G CA -0.028 45.109 45.100 0.063 0.000 0.621 320 G HN 0.813 nan 8.290 nan 0.000 0.506 321 L N 1.898 123.178 121.223 0.095 0.000 2.600 321 L HA 0.476 4.816 4.340 -0.000 0.000 0.278 321 L C 0.548 177.517 176.870 0.166 0.000 1.139 321 L CA 0.655 55.543 54.840 0.081 0.000 0.933 321 L CB 0.384 42.458 42.059 0.026 0.000 1.266 321 L HN 0.436 nan 8.230 nan 0.000 0.471 322 K N 4.633 125.092 120.400 0.099 0.000 2.221 322 K HA 0.606 4.925 4.320 -0.000 0.000 0.243 322 K C -0.548 176.071 176.600 0.032 0.000 0.968 322 K CA -0.753 55.597 56.287 0.105 0.000 0.846 322 K CB 1.754 34.297 32.500 0.070 0.000 1.141 322 K HN 0.458 nan 8.250 nan 0.000 0.434 323 I N 2.548 123.123 120.570 0.010 0.000 2.577 323 I HA 0.497 4.667 4.170 -0.000 0.000 0.305 323 I C -0.572 175.357 176.117 -0.313 0.000 0.986 323 I CA -1.074 60.120 61.300 -0.177 0.000 1.189 323 I CB 1.597 39.504 38.000 -0.155 0.000 1.355 323 I HN 0.377 nan 8.210 nan 0.000 0.476 324 V N 5.633 125.183 119.914 -0.607 0.000 3.077 324 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 324 V C -1.971 173.676 176.094 -0.746 0.000 1.276 324 V CA -0.408 61.561 62.300 -0.552 0.000 0.993 324 V CB 2.543 34.105 31.823 -0.435 0.000 1.076 324 V HN 0.545 nan 8.190 nan 0.000 0.434 325 Y N 7.093 127.300 120.300 -0.156 0.000 2.464 325 Y HA 0.652 5.202 4.550 -0.000 0.000 0.326 325 Y C -1.941 173.925 175.900 -0.057 0.000 0.969 325 Y CA -1.880 56.146 58.100 -0.123 0.000 1.270 325 Y CB 1.161 39.592 38.460 -0.049 0.000 1.103 325 Y HN 0.581 nan 8.280 nan 0.000 0.491 326 P HA 0.079 nan 4.420 nan 0.000 0.341 326 P C -0.387 176.998 177.300 0.141 0.000 1.297 326 P CA -0.788 62.372 63.100 0.099 0.000 0.761 326 P CB 0.750 32.490 31.700 0.066 0.000 1.574 327 Y N 0.489 120.788 120.300 -0.001 0.000 2.735 327 Y HA -0.243 4.307 4.550 -0.000 0.000 0.332 327 Y C -0.411 175.485 175.900 -0.007 0.000 1.174 327 Y CA 0.099 58.181 58.100 -0.030 0.000 1.177 327 Y CB -0.905 37.499 38.460 -0.092 0.000 1.266 327 Y HN 0.220 nan 8.280 nan 0.000 0.353 328 D N 3.633 124.220 120.400 0.313 0.000 2.787 328 D HA 0.235 4.875 4.640 -0.000 0.000 0.246 328 D C 0.441 176.882 176.300 0.235 0.000 1.150 328 D CA -0.414 53.729 54.000 0.238 0.000 0.864 328 D CB 2.111 43.005 40.800 0.158 0.000 1.481 328 D HN 0.346 nan 8.370 nan 0.000 0.509 329 T N 1.385 116.083 114.554 0.240 0.000 2.896 329 T HA -0.069 4.280 4.350 -0.000 0.000 0.263 329 T C 1.615 176.451 174.700 0.226 0.000 1.050 329 T CA 1.394 63.642 62.100 0.247 0.000 1.140 329 T CB -0.040 68.970 68.868 0.237 0.000 0.877 329 T HN 0.500 nan 8.240 nan 0.000 0.457 330 T N 2.541 117.189 114.554 0.157 0.000 2.594 330 T HA -0.150 4.199 4.350 -0.000 0.000 0.266 330 T C -0.724 174.052 174.700 0.127 0.000 1.070 330 T CA 1.933 64.099 62.100 0.110 0.000 1.166 330 T CB -1.198 67.702 68.868 0.053 0.000 0.862 330 T HN 0.378 nan 8.240 nan 0.000 0.436 331 P HA 0.055 nan 4.420 nan 0.000 0.226 331 P C 1.042 178.509 177.300 0.277 0.000 1.153 331 P CA 0.462 63.671 63.100 0.182 0.000 0.777 331 P CB -0.144 31.676 31.700 0.201 0.000 0.794 332 F N 0.211 120.262 119.950 0.168 0.000 2.206 332 F HA -0.111 4.415 4.527 -0.000 0.000 0.298 332 F C 1.986 177.805 175.800 0.032 0.000 1.090 332 F CA 0.936 59.030 58.000 0.158 0.000 1.323 332 F CB -0.752 38.375 39.000 0.212 0.000 1.028 332 F HN -0.302 nan 8.300 nan 0.000 0.492 333 V N 0.362 120.294 119.914 0.030 0.000 2.261 333 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 333 V C 2.429 178.449 176.094 -0.123 0.000 1.047 333 V CA 2.284 64.522 62.300 -0.103 0.000 1.015 333 V CB -0.767 31.041 31.823 -0.025 0.000 0.642 333 V HN 0.203 nan 8.190 nan 0.000 0.446 334 K N -0.458 119.913 120.400 -0.048 0.000 2.127 334 K HA -0.240 4.079 4.320 -0.000 0.000 0.208 334 K C 1.814 178.373 176.600 -0.069 0.000 1.047 334 K CA 1.946 58.205 56.287 -0.047 0.000 0.927 334 K CB -0.310 32.180 32.500 -0.016 0.000 0.716 334 K HN 0.374 nan 8.250 nan 0.000 0.450 335 I N -0.308 120.193 120.570 -0.116 0.000 2.585 335 I HA -0.090 4.080 4.170 -0.000 0.000 0.254 335 I C 1.612 177.593 176.117 -0.226 0.000 1.129 335 I CA 0.976 62.180 61.300 -0.160 0.000 1.455 335 I CB 0.066 37.917 38.000 -0.248 0.000 1.111 335 I HN 0.042 nan 8.210 nan 0.000 0.433 336 S N 0.352 115.829 115.700 -0.371 0.000 2.402 336 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 336 S C 2.070 176.557 174.600 -0.189 0.000 1.021 336 S CA 1.116 59.100 58.200 -0.360 0.000 0.974 336 S CB -0.332 62.538 63.200 -0.548 0.000 0.800 336 S HN 0.375 nan 8.310 nan 0.000 0.484 337 I N 0.946 121.426 120.570 -0.150 0.000 2.179 337 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 337 I C 2.486 178.589 176.117 -0.023 0.000 1.088 337 I CA 1.647 62.905 61.300 -0.071 0.000 1.357 337 I CB -0.368 37.596 38.000 -0.061 0.000 1.051 337 I HN 0.330 nan 8.210 nan 0.000 0.409 338 H N 0.758 119.761 119.070 -0.111 0.000 2.524 338 H HA -0.059 4.497 4.556 -0.000 0.000 0.282 338 H C 1.891 177.165 175.328 -0.090 0.000 1.016 338 H CA 1.137 57.131 56.048 -0.090 0.000 1.270 338 H CB 0.229 29.936 29.762 -0.093 0.000 1.394 338 H HN 0.191 nan 8.280 nan 0.000 0.568 339 E N -0.610 119.491 120.200 -0.166 0.000 2.340 339 E HA 0.008 4.357 4.350 -0.000 0.000 0.194 339 E C 2.026 178.546 176.600 -0.134 0.000 0.996 339 E CA 0.351 56.636 56.400 -0.190 0.000 0.869 339 E CB 0.453 30.061 29.700 -0.153 0.000 0.835 339 E HN 0.350 nan 8.360 nan 0.000 0.493 340 V N 0.431 120.302 119.914 -0.072 0.000 2.492 340 V HA -0.101 4.019 4.120 -0.000 0.000 0.241 340 V C 2.295 178.370 176.094 -0.031 0.000 1.041 340 V CA 0.719 63.017 62.300 -0.003 0.000 1.057 340 V CB 0.061 31.945 31.823 0.102 0.000 0.711 340 V HN 0.015 nan 8.190 nan 0.000 0.468 341 V N 0.025 119.913 119.914 -0.043 0.000 2.720 341 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 341 V C 2.515 178.548 176.094 -0.101 0.000 1.082 341 V CA 1.513 63.788 62.300 -0.042 0.000 1.101 341 V CB -0.660 31.149 31.823 -0.022 0.000 0.693 341 V HN 0.392 nan 8.190 nan 0.000 0.479 342 K N 0.539 120.829 120.400 -0.183 0.000 2.025 342 K HA -0.097 4.222 4.320 -0.000 0.000 0.207 342 K C 2.235 178.753 176.600 -0.137 0.000 1.049 342 K CA 1.838 58.003 56.287 -0.203 0.000 0.933 342 K CB -1.084 31.241 32.500 -0.292 0.000 0.714 342 K HN 0.472 nan 8.250 nan 0.000 0.438 343 T N 2.466 116.944 114.554 -0.126 0.000 2.881 343 T HA -0.091 4.258 4.350 -0.000 0.000 0.270 343 T C 1.503 176.147 174.700 -0.094 0.000 1.068 343 T CA 0.851 62.881 62.100 -0.117 0.000 1.131 343 T CB -0.104 68.683 68.868 -0.134 0.000 0.871 343 T HN 0.095 nan 8.240 nan 0.000 0.479 344 L N 1.586 122.769 121.223 -0.068 0.000 1.994 344 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 344 L C 2.324 179.163 176.870 -0.051 0.000 1.071 344 L CA 1.871 56.684 54.840 -0.044 0.000 0.745 344 L CB -1.076 40.978 42.059 -0.009 0.000 0.892 344 L HN 0.148 nan 8.230 nan 0.000 0.431 345 V N 0.535 120.415 119.914 -0.058 0.000 2.427 345 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 345 V C 2.566 178.620 176.094 -0.067 0.000 1.051 345 V CA 1.592 63.856 62.300 -0.060 0.000 1.048 345 V CB -0.509 31.276 31.823 -0.063 0.000 0.666 345 V HN 0.459 nan 8.190 nan 0.000 0.456 346 E N 0.589 120.743 120.200 -0.077 0.000 2.051 346 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 346 E C 2.309 178.865 176.600 -0.073 0.000 0.991 346 E CA 1.368 57.722 56.400 -0.077 0.000 0.799 346 E CB -0.342 29.303 29.700 -0.091 0.000 0.748 346 E HN 0.591 nan 8.360 nan 0.000 0.449 347 A N 0.687 123.459 122.820 -0.081 0.000 2.067 347 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 347 A C 2.022 179.578 177.584 -0.047 0.000 1.158 347 A CA 0.836 52.824 52.037 -0.081 0.000 0.661 347 A CB -0.396 18.548 19.000 -0.093 0.000 0.801 347 A HN 0.122 nan 8.150 nan 0.000 0.452 348 I N -0.694 119.853 120.570 -0.038 0.000 2.130 348 I HA -0.181 3.988 4.170 -0.000 0.000 0.232 348 I C 2.233 178.358 176.117 0.013 0.000 1.064 348 I CA 1.134 62.425 61.300 -0.015 0.000 1.338 348 I CB -0.414 37.566 38.000 -0.034 0.000 1.084 348 I HN 0.231 nan 8.210 nan 0.000 0.404 349 I N 0.828 121.383 120.570 -0.024 0.000 2.147 349 I HA -0.384 3.786 4.170 -0.000 0.000 0.245 349 I C 2.453 178.611 176.117 0.069 0.000 1.059 349 I CA 1.599 62.893 61.300 -0.010 0.000 1.320 349 I CB -0.326 37.641 38.000 -0.056 0.000 1.021 349 I HN 0.296 nan 8.210 nan 0.000 0.415 350 L N -0.602 120.630 121.223 0.015 0.000 2.109 350 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 350 L C 2.627 179.500 176.870 0.005 0.000 1.086 350 L CA 1.184 56.023 54.840 -0.001 0.000 0.760 350 L CB -0.764 41.265 42.059 -0.050 0.000 0.910 350 L HN 0.156 nan 8.230 nan 0.000 0.437 351 V N -0.071 119.850 119.914 0.011 0.000 2.332 351 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 351 V C 2.338 178.456 176.094 0.040 0.000 1.055 351 V CA 1.854 64.156 62.300 0.005 0.000 1.038 351 V CB -0.433 31.395 31.823 0.008 0.000 0.651 351 V HN 0.340 nan 8.190 nan 0.000 0.450 352 F N -0.218 119.700 119.950 -0.053 0.000 2.250 352 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 352 F C 1.872 177.672 175.800 -0.001 0.000 1.077 352 F CA 1.605 59.580 58.000 -0.042 0.000 1.348 352 F CB 0.010 38.975 39.000 -0.059 0.000 1.040 352 F HN 0.098 nan 8.300 nan 0.000 0.509 353 L N -1.200 120.091 121.223 0.114 0.000 2.127 353 L HA -0.115 4.225 4.340 -0.000 0.000 0.203 353 L C 2.276 179.130 176.870 -0.027 0.000 1.080 353 L CA 0.622 55.498 54.840 0.060 0.000 0.768 353 L CB -0.888 41.211 42.059 0.066 0.000 0.924 353 L HN -0.081 nan 8.230 nan 0.000 0.444 354 V N -0.467 119.395 119.914 -0.086 0.000 2.626 354 V HA -0.254 3.866 4.120 -0.000 0.000 0.252 354 V C 2.380 178.360 176.094 -0.190 0.000 1.067 354 V CA 1.501 63.688 62.300 -0.188 0.000 1.081 354 V CB -0.393 31.280 31.823 -0.250 0.000 0.686 354 V HN 0.343 nan 8.190 nan 0.000 0.468 355 M N -1.430 118.091 119.600 -0.133 0.000 2.254 355 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 355 M C 1.984 178.274 176.300 -0.016 0.000 1.066 355 M CA 1.618 56.854 55.300 -0.107 0.000 1.123 355 M CB -0.411 32.097 32.600 -0.153 0.000 1.388 355 M HN 0.399 nan 8.290 nan 0.000 0.425 356 Y N -0.410 119.765 120.300 -0.209 0.000 2.269 356 Y HA -0.022 4.528 4.550 -0.000 0.000 0.294 356 Y C 1.814 177.771 175.900 0.096 0.000 1.120 356 Y CA 1.150 59.195 58.100 -0.091 0.000 1.159 356 Y CB -0.203 38.171 38.460 -0.143 0.000 1.024 356 Y HN 0.024 nan 8.280 nan 0.000 0.532 357 L N -1.180 120.096 121.223 0.088 0.000 2.081 357 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 357 L C 1.987 178.974 176.870 0.195 0.000 1.080 357 L CA 1.890 56.759 54.840 0.048 0.000 0.754 357 L CB -0.952 41.075 42.059 -0.052 0.000 0.893 357 L HN 0.240 nan 8.230 nan 0.000 0.433 358 F N -0.502 119.386 119.950 -0.103 0.000 2.298 358 F HA 0.111 4.638 4.527 -0.000 0.000 0.282 358 F C 1.402 177.231 175.800 0.048 0.000 1.045 358 F CA -0.209 57.739 58.000 -0.087 0.000 1.280 358 F CB -0.471 38.478 39.000 -0.084 0.000 1.114 358 F HN -0.188 nan 8.300 nan 0.000 0.546 359 L N 2.415 123.789 121.223 0.250 0.000 2.401 359 L HA 0.167 4.506 4.340 -0.000 0.000 0.283 359 L C 1.592 178.549 176.870 0.145 0.000 1.151 359 L CA -0.138 54.815 54.840 0.189 0.000 0.942 359 L CB 0.104 42.244 42.059 0.136 0.000 1.283 359 L HN 0.318 nan 8.230 nan 0.000 0.442 360 Q N 2.341 122.253 119.800 0.186 0.000 2.234 360 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 360 Q C 0.272 176.327 176.000 0.092 0.000 0.980 360 Q CA 0.920 56.755 55.803 0.054 0.000 0.869 360 Q CB 0.096 28.971 28.738 0.229 0.000 0.912 360 Q HN 0.627 nan 8.270 nan 0.000 0.436 361 N N 1.112 119.914 118.700 0.170 0.000 2.411 361 N HA -0.075 4.665 4.740 -0.000 0.000 0.265 361 N C -0.022 175.705 175.510 0.361 0.000 1.266 361 N CA 0.184 53.373 53.050 0.232 0.000 0.889 361 N CB 0.434 39.014 38.487 0.155 0.000 1.069 361 N HN 0.251 nan 8.380 nan 0.000 0.476 362 F N 4.447 124.593 119.950 0.327 0.000 2.186 362 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 362 F C 2.459 178.357 175.800 0.163 0.000 1.090 362 F CA 1.127 59.301 58.000 0.290 0.000 1.307 362 F CB 0.129 39.263 39.000 0.224 0.000 1.019 362 F HN 0.499 nan 8.300 nan 0.000 0.489 363 R N 0.624 121.271 120.500 0.245 0.000 2.127 363 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 363 R C 2.013 178.345 176.300 0.053 0.000 1.134 363 R CA 1.448 57.623 56.100 0.125 0.000 0.975 363 R CB -1.332 29.061 30.300 0.155 0.000 0.865 363 R HN 0.328 nan 8.270 nan 0.000 0.447 364 A N 0.865 123.726 122.820 0.068 0.000 2.021 364 A HA -0.017 4.302 4.320 -0.000 0.000 0.216 364 A C 1.593 179.172 177.584 -0.009 0.000 1.163 364 A CA 1.018 53.084 52.037 0.049 0.000 0.676 364 A CB -0.107 18.943 19.000 0.082 0.000 0.818 364 A HN 0.311 nan 8.150 nan 0.000 0.453 365 T N 0.445 114.950 114.554 -0.081 0.000 4.058 365 T HA 0.502 4.852 4.350 -0.000 0.000 0.252 365 T C 0.469 174.992 174.700 -0.295 0.000 1.264 365 T CA 0.270 62.217 62.100 -0.254 0.000 1.094 365 T CB -0.733 67.907 68.868 -0.379 0.000 1.316 365 T HN 0.343 nan 8.240 nan 0.000 0.872 366 L N 0.900 122.059 121.223 -0.107 0.000 2.459 366 L HA 0.165 4.505 4.340 -0.000 0.000 0.276 366 L C 1.722 178.602 176.870 0.018 0.000 1.104 366 L CA 0.165 54.985 54.840 -0.034 0.000 1.393 366 L CB -0.202 41.822 42.059 -0.058 0.000 2.603 366 L HN 0.329 nan 8.230 nan 0.000 0.550 367 I N 1.957 122.540 120.570 0.022 0.000 2.142 367 I HA -0.165 4.004 4.170 -0.000 0.000 0.240 367 I C -0.548 175.572 176.117 0.005 0.000 1.078 367 I CA 1.633 62.953 61.300 0.034 0.000 1.343 367 I CB -1.685 36.343 38.000 0.046 0.000 1.046 367 I HN 0.258 nan 8.210 nan 0.000 0.405 368 P HA -0.004 nan 4.420 nan 0.000 0.217 368 P C 1.704 179.002 177.300 -0.003 0.000 1.154 368 P CA 1.285 64.381 63.100 -0.007 0.000 0.841 368 P CB -0.236 31.459 31.700 -0.009 0.000 0.790 369 T N 0.672 115.241 114.554 0.024 0.000 2.684 369 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 369 T C 1.229 175.933 174.700 0.006 0.000 1.032 369 T CA 1.425 63.559 62.100 0.056 0.000 1.155 369 T CB -0.903 68.056 68.868 0.152 0.000 0.857 369 T HN 0.145 nan 8.240 nan 0.000 0.457 370 I N 0.155 120.715 120.570 -0.017 0.000 3.731 370 I HA 0.370 4.540 4.170 -0.000 0.000 0.341 370 I C 1.277 177.324 176.117 -0.117 0.000 1.532 370 I CA -0.295 60.964 61.300 -0.068 0.000 1.163 370 I CB 0.138 38.101 38.000 -0.062 0.000 1.339 370 I HN 0.154 nan 8.210 nan 0.000 0.449 371 A N 0.698 123.468 122.820 -0.084 0.000 2.016 371 A HA 0.080 4.400 4.320 -0.000 0.000 0.202 371 A C 1.987 179.519 177.584 -0.087 0.000 1.632 371 A CA 0.771 52.752 52.037 -0.093 0.000 0.891 371 A CB -0.380 18.585 19.000 -0.059 0.000 1.103 371 A HN 0.186 nan 8.150 nan 0.000 0.547 372 V N -2.097 117.779 119.914 -0.064 0.000 2.667 372 V HA -0.017 4.103 4.120 -0.000 0.000 0.252 372 V C -0.484 175.567 176.094 -0.071 0.000 1.065 372 V CA 1.532 63.794 62.300 -0.063 0.000 1.083 372 V CB -2.039 29.758 31.823 -0.044 0.000 0.692 372 V HN 0.305 nan 8.190 nan 0.000 0.468 373 P HA -0.177 nan 4.420 nan 0.000 0.217 373 P C 1.996 179.253 177.300 -0.072 0.000 1.158 373 P CA 2.111 65.175 63.100 -0.061 0.000 0.887 373 P CB -0.216 31.446 31.700 -0.063 0.000 0.792 374 V N -0.706 119.151 119.914 -0.096 0.000 2.488 374 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 374 V C 2.676 178.711 176.094 -0.099 0.000 1.046 374 V CA 1.348 63.589 62.300 -0.099 0.000 1.053 374 V CB -1.022 30.722 31.823 -0.131 0.000 0.679 374 V HN -0.063 nan 8.190 nan 0.000 0.458 375 V N -0.043 119.809 119.914 -0.103 0.000 2.515 375 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 375 V C 2.277 178.280 176.094 -0.152 0.000 1.058 375 V CA 1.583 63.819 62.300 -0.107 0.000 1.064 375 V CB -0.639 31.132 31.823 -0.087 0.000 0.675 375 V HN 0.416 nan 8.190 nan 0.000 0.461 376 L N -0.516 120.598 121.223 -0.182 0.000 1.976 376 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 376 L C 2.467 179.042 176.870 -0.491 0.000 1.071 376 L CA 1.677 56.318 54.840 -0.332 0.000 0.746 376 L CB -0.664 41.236 42.059 -0.265 0.000 0.890 376 L HN 0.247 nan 8.230 nan 0.000 0.432 377 L N -0.351 120.731 121.223 -0.235 0.000 2.081 377 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 377 L C 2.664 179.499 176.870 -0.059 0.000 1.080 377 L CA 1.490 56.308 54.840 -0.036 0.000 0.754 377 L CB -1.426 40.665 42.059 0.053 0.000 0.893 377 L HN 0.407 nan 8.230 nan 0.000 0.433 378 G N -0.837 107.898 108.800 -0.107 0.000 2.422 378 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.218 378 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.218 378 G C 1.571 176.405 174.900 -0.110 0.000 1.146 378 G CA 1.290 46.337 45.100 -0.089 0.000 0.769 378 G HN 0.300 nan 8.290 nan 0.000 0.547 379 T N 0.768 115.210 114.554 -0.185 0.000 2.915 379 T HA -0.000 4.349 4.350 -0.000 0.000 0.269 379 T C 1.982 176.624 174.700 -0.096 0.000 1.071 379 T CA 0.627 62.625 62.100 -0.170 0.000 1.132 379 T CB -0.300 68.438 68.868 -0.216 0.000 0.878 379 T HN 0.381 nan 8.240 nan 0.000 0.479 380 F N 1.259 121.199 119.950 -0.018 0.000 2.186 380 F HA 0.032 4.558 4.527 -0.000 0.000 0.299 380 F C 2.680 178.451 175.800 -0.049 0.000 1.090 380 F CA 0.439 58.428 58.000 -0.018 0.000 1.307 380 F CB -0.205 38.786 39.000 -0.014 0.000 1.019 380 F HN 0.120 nan 8.300 nan 0.000 0.489 381 A N -0.609 122.273 122.820 0.104 0.000 2.119 381 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 381 A C 2.053 179.571 177.584 -0.109 0.000 1.152 381 A CA 0.965 53.001 52.037 -0.002 0.000 0.708 381 A CB -0.593 18.396 19.000 -0.017 0.000 0.805 381 A HN 0.217 nan 8.150 nan 0.000 0.460 382 V N -0.613 119.218 119.914 -0.139 0.000 2.672 382 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 382 V C 2.254 178.139 176.094 -0.348 0.000 1.059 382 V CA 1.085 63.200 62.300 -0.307 0.000 1.081 382 V CB -0.296 31.394 31.823 -0.223 0.000 0.752 382 V HN 0.543 nan 8.190 nan 0.000 0.472 383 L N 0.246 121.388 121.223 -0.135 0.000 2.313 383 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 383 L C 2.598 179.440 176.870 -0.047 0.000 1.119 383 L CA 1.127 55.901 54.840 -0.110 0.000 0.809 383 L CB -0.684 41.412 42.059 0.063 0.000 0.933 383 L HN 0.344 nan 8.230 nan 0.000 0.449 384 A N 0.428 123.238 122.820 -0.017 0.000 1.929 384 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 384 A C 2.465 180.014 177.584 -0.057 0.000 1.176 384 A CA 1.437 53.473 52.037 -0.002 0.000 0.628 384 A CB -0.444 18.561 19.000 0.008 0.000 0.816 384 A HN 0.348 nan 8.150 nan 0.000 0.444 385 A N -2.037 120.682 122.820 -0.168 0.000 2.168 385 A HA 0.237 4.557 4.320 -0.000 0.000 0.215 385 A C 1.614 179.069 177.584 -0.215 0.000 1.152 385 A CA 0.684 52.578 52.037 -0.237 0.000 0.716 385 A CB -0.547 18.224 19.000 -0.381 0.000 0.794 385 A HN 0.547 nan 8.150 nan 0.000 0.465 386 F N -1.981 117.859 119.950 -0.183 0.000 2.704 386 F HA 0.329 4.856 4.527 -0.000 0.000 0.304 386 F C 1.839 177.526 175.800 -0.189 0.000 1.094 386 F CA 0.353 58.190 58.000 -0.272 0.000 1.275 386 F CB 0.887 39.558 39.000 -0.550 0.000 1.073 386 F HN 0.402 nan 8.300 nan 0.000 0.586 387 G N 0.524 109.386 108.800 0.102 0.000 2.238 387 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 387 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 387 G C 0.371 175.483 174.900 0.353 0.000 0.996 387 G CA -0.573 44.652 45.100 0.209 0.000 0.632 387 G HN 0.224 nan 8.290 nan 0.000 0.503 388 F N 1.830 121.829 119.950 0.082 0.000 2.426 388 F HA 0.499 5.025 4.527 -0.000 0.000 0.309 388 F C 1.342 177.173 175.800 0.051 0.000 1.246 388 F CA -0.014 58.020 58.000 0.057 0.000 1.229 388 F CB 0.683 39.722 39.000 0.066 0.000 1.255 388 F HN 0.220 nan 8.300 nan 0.000 0.558 389 S N 0.028 115.870 115.700 0.238 0.000 2.801 389 S HA 0.479 4.949 4.470 -0.000 0.000 0.312 389 S C -0.225 174.444 174.600 0.116 0.000 1.112 389 S CA -0.896 57.379 58.200 0.125 0.000 0.943 389 S CB 1.551 64.787 63.200 0.060 0.000 1.269 389 S HN 0.406 nan 8.310 nan 0.000 0.558 390 I N 2.435 123.035 120.570 0.050 0.000 2.293 390 I HA 0.116 4.286 4.170 -0.000 0.000 0.280 390 I C -0.133 175.974 176.117 -0.016 0.000 1.075 390 I CA -0.193 61.126 61.300 0.032 0.000 1.702 390 I CB -1.156 36.823 38.000 -0.034 0.000 1.477 390 I HN 0.358 nan 8.210 nan 0.000 0.733 391 N N 1.811 120.504 118.700 -0.011 0.000 2.424 391 N HA 0.084 4.824 4.740 -0.000 0.000 0.257 391 N C 1.397 176.813 175.510 -0.156 0.000 1.250 391 N CA 0.017 53.016 53.050 -0.086 0.000 0.946 391 N CB 0.876 39.319 38.487 -0.073 0.000 1.175 391 N HN 0.192 nan 8.380 nan 0.000 0.477 392 T N 0.906 115.288 114.554 -0.286 0.000 2.721 392 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 392 T C 1.890 176.355 174.700 -0.391 0.000 1.038 392 T CA 1.080 62.931 62.100 -0.415 0.000 1.145 392 T CB -0.117 68.424 68.868 -0.543 0.000 0.858 392 T HN 0.330 nan 8.240 nan 0.000 0.459 393 L N 0.679 121.738 121.223 -0.272 0.000 1.982 393 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 393 L C 3.039 179.847 176.870 -0.103 0.000 1.078 393 L CA 1.900 56.520 54.840 -0.366 0.000 0.749 393 L CB -0.904 40.897 42.059 -0.429 0.000 0.894 393 L HN 0.411 nan 8.230 nan 0.000 0.436 394 T N -2.812 111.763 114.554 0.035 0.000 2.869 394 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 394 T C 1.700 176.565 174.700 0.275 0.000 1.082 394 T CA 1.081 63.319 62.100 0.230 0.000 1.123 394 T CB -0.174 68.825 68.868 0.218 0.000 0.856 394 T HN 0.093 nan 8.240 nan 0.000 0.499 395 M N 0.065 119.786 119.600 0.201 0.000 2.334 395 M HA 0.358 4.838 4.480 -0.000 0.000 0.266 395 M C 1.961 178.498 176.300 0.395 0.000 1.082 395 M CA 0.307 55.749 55.300 0.236 0.000 1.141 395 M CB -1.203 31.466 32.600 0.114 0.000 1.380 395 M HN 0.362 nan 8.290 nan 0.000 0.440 396 F N -0.317 119.758 119.950 0.208 0.000 2.365 396 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 396 F C 2.219 178.243 175.800 0.374 0.000 1.090 396 F CA 0.477 58.652 58.000 0.291 0.000 1.408 396 F CB -0.273 38.964 39.000 0.394 0.000 1.060 396 F HN 0.264 nan 8.300 nan 0.000 0.534 397 G N -0.374 108.841 108.800 0.691 0.000 2.464 397 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.217 397 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.217 397 G C 1.552 176.537 174.900 0.143 0.000 1.138 397 G CA 0.230 45.510 45.100 0.300 0.000 0.793 397 G HN 0.041 nan 8.290 nan 0.000 0.539 398 M N 0.601 120.303 119.600 0.170 0.000 2.132 398 M HA 0.032 4.512 4.480 -0.000 0.000 0.263 398 M C 2.662 178.990 176.300 0.047 0.000 1.065 398 M CA 0.730 56.065 55.300 0.059 0.000 1.122 398 M CB -1.070 31.574 32.600 0.072 0.000 1.365 398 M HN 0.105 nan 8.290 nan 0.000 0.411 399 V N -0.056 119.908 119.914 0.084 0.000 2.273 399 V HA -0.193 3.926 4.120 -0.000 0.000 0.242 399 V C 2.410 178.502 176.094 -0.003 0.000 1.035 399 V CA 1.066 63.375 62.300 0.014 0.000 1.013 399 V CB -0.928 30.878 31.823 -0.029 0.000 0.652 399 V HN 0.321 nan 8.190 nan 0.000 0.452 400 L N 1.153 122.383 121.223 0.013 0.000 2.064 400 L HA -0.231 4.108 4.340 -0.000 0.000 0.216 400 L C 2.321 179.242 176.870 0.085 0.000 1.077 400 L CA 2.607 57.467 54.840 0.033 0.000 0.766 400 L CB -0.930 41.115 42.059 -0.024 0.000 0.890 400 L HN 0.279 nan 8.230 nan 0.000 0.435 401 A N -0.933 121.915 122.820 0.046 0.000 2.016 401 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 401 A C 2.222 179.834 177.584 0.048 0.000 1.162 401 A CA 1.249 53.313 52.037 0.044 0.000 0.662 401 A CB -0.733 18.279 19.000 0.020 0.000 0.812 401 A HN 0.496 nan 8.150 nan 0.000 0.450 402 I N 0.105 120.697 120.570 0.038 0.000 2.290 402 I HA -0.355 3.815 4.170 -0.000 0.000 0.253 402 I C 2.528 178.699 176.117 0.089 0.000 1.112 402 I CA 1.272 62.589 61.300 0.029 0.000 1.377 402 I CB -0.436 37.562 38.000 -0.003 0.000 1.060 402 I HN 0.422 nan 8.210 nan 0.000 0.428 403 G N 0.360 109.292 108.800 0.221 0.000 2.414 403 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.215 403 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.215 403 G C 1.240 176.172 174.900 0.053 0.000 1.188 403 G CA 0.016 45.350 45.100 0.389 0.000 0.783 403 G HN 0.315 nan 8.290 nan 0.000 0.537 404 L N 0.933 122.143 121.223 -0.022 0.000 2.919 404 L HA 0.448 4.788 4.340 -0.000 0.000 0.242 404 L C 0.772 177.612 176.870 -0.051 0.000 1.366 404 L CA -0.152 54.633 54.840 -0.092 0.000 1.212 404 L CB -0.100 41.884 42.059 -0.126 0.000 1.604 404 L HN 0.223 nan 8.230 nan 0.000 0.433 405 L N -2.050 119.154 121.223 -0.031 0.000 2.249 405 L HA 0.060 4.400 4.340 -0.000 0.000 0.204 405 L C 1.573 178.425 176.870 -0.029 0.000 1.135 405 L CA 0.174 54.996 54.840 -0.030 0.000 1.070 405 L CB 0.229 42.273 42.059 -0.025 0.000 2.194 405 L HN 0.033 nan 8.230 nan 0.000 0.504 406 V N -1.773 118.133 119.914 -0.014 0.000 3.235 406 V HA -0.069 4.050 4.120 -0.000 0.000 0.259 406 V C 1.829 177.910 176.094 -0.022 0.000 1.133 406 V CA 1.404 63.695 62.300 -0.015 0.000 1.128 406 V CB -0.424 31.396 31.823 -0.005 0.000 0.757 406 V HN 0.384 nan 8.190 nan 0.000 0.469 407 D N 1.322 121.703 120.400 -0.031 0.000 2.097 407 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 407 D C 1.941 178.211 176.300 -0.051 0.000 0.989 407 D CA 1.766 55.732 54.000 -0.055 0.000 0.827 407 D CB -0.273 40.466 40.800 -0.101 0.000 0.966 407 D HN 0.407 nan 8.370 nan 0.000 0.456 408 D N -0.684 119.685 120.400 -0.051 0.000 2.178 408 D HA -0.086 4.553 4.640 -0.000 0.000 0.202 408 D C 1.810 178.095 176.300 -0.025 0.000 0.974 408 D CA 1.014 54.988 54.000 -0.043 0.000 0.841 408 D CB 0.090 40.862 40.800 -0.047 0.000 0.953 408 D HN 0.287 nan 8.370 nan 0.000 0.478 409 A N 1.305 124.111 122.820 -0.023 0.000 1.828 409 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 409 A C 2.387 179.971 177.584 0.000 0.000 1.203 409 A CA 1.036 53.066 52.037 -0.012 0.000 0.614 409 A CB -1.040 17.950 19.000 -0.017 0.000 0.844 409 A HN 0.254 nan 8.150 nan 0.000 0.445 410 I N -0.096 120.471 120.570 -0.005 0.000 2.242 410 I HA -0.415 3.755 4.170 -0.000 0.000 0.242 410 I C 2.377 178.512 176.117 0.029 0.000 0.998 410 I CA 2.207 63.510 61.300 0.005 0.000 1.283 410 I CB -0.604 37.386 38.000 -0.016 0.000 0.985 410 I HN 0.275 nan 8.210 nan 0.000 0.415 411 V N -0.069 119.860 119.914 0.024 0.000 2.255 411 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 411 V C 2.303 178.442 176.094 0.076 0.000 1.051 411 V CA 2.068 64.399 62.300 0.052 0.000 1.018 411 V CB -0.855 30.979 31.823 0.018 0.000 0.641 411 V HN 0.290 nan 8.190 nan 0.000 0.445 412 V N -0.339 119.606 119.914 0.052 0.000 2.295 412 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 412 V C 2.510 178.642 176.094 0.063 0.000 1.049 412 V CA 2.013 64.348 62.300 0.059 0.000 1.024 412 V CB -0.488 31.359 31.823 0.040 0.000 0.648 412 V HN 0.398 nan 8.190 nan 0.000 0.447 413 V N 1.052 120.997 119.914 0.052 0.000 2.332 413 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 413 V C 2.411 178.545 176.094 0.066 0.000 1.055 413 V CA 2.483 64.816 62.300 0.054 0.000 1.038 413 V CB -0.532 31.315 31.823 0.040 0.000 0.651 413 V HN 0.893 nan 8.190 nan 0.000 0.450 414 E N -0.890 119.355 120.200 0.075 0.000 2.447 414 E HA -0.040 4.310 4.350 -0.000 0.000 0.204 414 E C 1.690 178.343 176.600 0.088 0.000 0.977 414 E CA 0.887 57.339 56.400 0.087 0.000 0.950 414 E CB -0.857 28.902 29.700 0.099 0.000 0.975 414 E HN 0.598 nan 8.360 nan 0.000 0.496 415 N N 0.570 119.330 118.700 0.099 0.000 2.396 415 N HA -0.098 4.641 4.740 -0.000 0.000 0.180 415 N C 1.098 176.645 175.510 0.060 0.000 1.028 415 N CA 1.176 54.283 53.050 0.095 0.000 0.893 415 N CB 0.297 38.893 38.487 0.181 0.000 0.967 415 N HN 0.130 nan 8.380 nan 0.000 0.440 416 V N 0.682 120.635 119.914 0.065 0.000 2.446 416 V HA -0.069 4.051 4.120 -0.000 0.000 0.244 416 V C 2.062 178.185 176.094 0.048 0.000 1.039 416 V CA 1.100 63.430 62.300 0.051 0.000 1.045 416 V CB -0.641 31.215 31.823 0.054 0.000 0.681 416 V HN 0.139 nan 8.190 nan 0.000 0.459 417 E N 0.754 120.990 120.200 0.060 0.000 2.136 417 E HA -0.297 4.053 4.350 -0.000 0.000 0.208 417 E C 2.265 178.900 176.600 0.058 0.000 1.035 417 E CA 2.327 58.767 56.400 0.066 0.000 0.838 417 E CB -0.442 29.310 29.700 0.087 0.000 0.748 417 E HN 0.660 nan 8.360 nan 0.000 0.459 418 R N -0.005 120.524 120.500 0.049 0.000 2.061 418 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 418 R C 2.244 178.553 176.300 0.015 0.000 1.140 418 R CA 1.718 57.837 56.100 0.033 0.000 0.940 418 R CB -0.706 29.598 30.300 0.007 0.000 0.839 418 R HN 0.083 nan 8.270 nan 0.000 0.429 419 V N 1.803 121.722 119.914 0.008 0.000 2.428 419 V HA -0.262 3.857 4.120 -0.000 0.000 0.255 419 V C 1.891 177.991 176.094 0.009 0.000 1.080 419 V CA 1.985 64.288 62.300 0.005 0.000 1.083 419 V CB -0.418 31.413 31.823 0.013 0.000 0.665 419 V HN 0.453 nan 8.190 nan 0.000 0.461 420 M N -1.107 118.503 119.600 0.017 0.000 2.854 420 M HA 0.406 4.886 4.480 -0.000 0.000 0.251 420 M C 0.714 177.019 176.300 0.008 0.000 1.301 420 M CA 0.680 55.988 55.300 0.014 0.000 1.059 420 M CB 0.129 32.742 32.600 0.022 0.000 1.419 420 M HN 0.371 nan 8.290 nan 0.000 0.467 421 A N -0.839 121.983 122.820 0.003 0.000 1.544 421 A HA 0.060 4.380 4.320 -0.000 0.000 0.206 421 A C 1.438 179.015 177.584 -0.013 0.000 1.895 421 A CA -0.134 51.901 52.037 -0.005 0.000 1.585 421 A CB -0.088 18.922 19.000 0.016 0.000 1.485 421 A HN 0.305 nan 8.150 nan 0.000 0.342 422 E N 0.767 120.963 120.200 -0.006 0.000 2.097 422 E HA -0.168 4.181 4.350 -0.000 0.000 0.196 422 E C 1.236 177.826 176.600 -0.017 0.000 1.000 422 E CA 1.872 58.264 56.400 -0.014 0.000 0.804 422 E CB 0.100 29.789 29.700 -0.018 0.000 0.740 422 E HN 0.616 nan 8.360 nan 0.000 0.454 423 E N -1.841 118.350 120.200 -0.013 0.000 2.562 423 E HA 0.172 4.522 4.350 -0.000 0.000 0.214 423 E C 0.634 177.226 176.600 -0.013 0.000 0.979 423 E CA 0.575 56.967 56.400 -0.013 0.000 1.002 423 E CB 0.960 30.655 29.700 -0.008 0.000 1.048 423 E HN 0.238 nan 8.360 nan 0.000 0.488 424 G N 2.177 110.969 108.800 -0.014 0.000 2.350 424 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.298 424 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.298 424 G C -0.125 174.769 174.900 -0.010 0.000 1.037 424 G CA 0.394 45.484 45.100 -0.016 0.000 1.074 424 G HN 0.204 nan 8.290 nan 0.000 0.511 425 L N -0.723 120.497 121.223 -0.004 0.000 2.457 425 L HA 0.296 4.635 4.340 -0.000 0.000 0.266 425 L C -1.349 175.525 176.870 0.006 0.000 0.979 425 L CA -2.220 52.620 54.840 -0.000 0.000 0.857 425 L CB 2.403 44.463 42.059 0.001 0.000 1.213 425 L HN -0.061 nan 8.230 nan 0.000 0.418 426 P HA -0.102 nan 4.420 nan 0.000 0.215 426 P C -1.886 175.422 177.300 0.013 0.000 1.157 426 P CA 0.736 63.843 63.100 0.012 0.000 0.874 426 P CB -1.024 30.681 31.700 0.008 0.000 0.790 427 P HA -0.148 nan 4.420 nan 0.000 0.274 427 P C 0.891 178.199 177.300 0.014 0.000 1.224 427 P CA 0.681 63.787 63.100 0.009 0.000 0.803 427 P CB 0.517 32.221 31.700 0.007 0.000 0.876 428 K N 0.762 121.169 120.400 0.012 0.000 2.059 428 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 428 K C 1.889 178.501 176.600 0.019 0.000 1.050 428 K CA 2.061 58.357 56.287 0.016 0.000 0.927 428 K CB -0.259 32.248 32.500 0.011 0.000 0.714 428 K HN 0.471 nan 8.250 nan 0.000 0.447 429 E N 0.455 120.665 120.200 0.016 0.000 2.204 429 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 429 E C 1.753 178.364 176.600 0.019 0.000 0.989 429 E CA 0.949 57.359 56.400 0.017 0.000 0.824 429 E CB -0.078 29.630 29.700 0.013 0.000 0.756 429 E HN 0.342 nan 8.360 nan 0.000 0.477 430 A N 0.685 123.516 122.820 0.018 0.000 1.821 430 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 430 A C 2.332 179.933 177.584 0.028 0.000 1.216 430 A CA 2.345 54.393 52.037 0.020 0.000 0.615 430 A CB -1.438 17.573 19.000 0.018 0.000 0.862 430 A HN 0.313 nan 8.150 nan 0.000 0.450 431 T N -0.505 114.068 114.554 0.032 0.000 2.812 431 T HA -0.349 4.001 4.350 -0.000 0.000 0.261 431 T C 1.837 176.562 174.700 0.041 0.000 1.031 431 T CA 2.212 64.335 62.100 0.039 0.000 1.158 431 T CB -0.426 68.466 68.868 0.040 0.000 0.836 431 T HN 0.580 nan 8.240 nan 0.000 0.488 432 R N 1.277 121.798 120.500 0.035 0.000 2.052 432 R HA 0.044 4.384 4.340 -0.000 0.000 0.226 432 R C 1.861 178.183 176.300 0.037 0.000 1.145 432 R CA 1.130 57.251 56.100 0.035 0.000 0.952 432 R CB 0.004 30.321 30.300 0.029 0.000 0.847 432 R HN 0.243 nan 8.270 nan 0.000 0.431 433 K N 0.229 120.649 120.400 0.034 0.000 2.444 433 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 433 K C 1.624 178.251 176.600 0.045 0.000 1.024 433 K CA 0.637 56.945 56.287 0.036 0.000 1.077 433 K CB 0.622 33.139 32.500 0.028 0.000 0.833 433 K HN 0.242 nan 8.250 nan 0.000 0.517 434 S N 0.848 116.578 115.700 0.049 0.000 2.383 434 S HA -0.131 4.338 4.470 -0.000 0.000 0.227 434 S C 1.714 176.372 174.600 0.095 0.000 1.026 434 S CA 0.881 59.121 58.200 0.066 0.000 0.981 434 S CB -0.230 63.007 63.200 0.061 0.000 0.818 434 S HN 0.222 nan 8.310 nan 0.000 0.472 435 M N 1.406 121.051 119.600 0.076 0.000 2.628 435 M HA 0.224 4.704 4.480 -0.000 0.000 0.232 435 M C 1.996 178.333 176.300 0.062 0.000 1.128 435 M CA 0.637 55.980 55.300 0.072 0.000 1.040 435 M CB -0.905 31.727 32.600 0.052 0.000 1.608 435 M HN 0.543 nan 8.290 nan 0.000 0.507 436 G N 0.844 109.684 108.800 0.066 0.000 2.403 436 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 436 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 436 G C 1.552 176.502 174.900 0.083 0.000 1.154 436 G CA 0.281 45.417 45.100 0.059 0.000 0.784 436 G HN 0.491 nan 8.290 nan 0.000 0.538 437 Q N -0.596 119.289 119.800 0.142 0.000 2.402 437 Q HA 0.245 4.585 4.340 -0.000 0.000 0.206 437 Q C 2.295 178.426 176.000 0.218 0.000 0.919 437 Q CA 0.176 56.125 55.803 0.244 0.000 0.923 437 Q CB 0.466 29.445 28.738 0.402 0.000 1.048 437 Q HN 0.547 nan 8.270 nan 0.000 0.515 438 I N 0.222 120.887 120.570 0.158 0.000 2.731 438 I HA -0.145 4.025 4.170 -0.000 0.000 0.260 438 I C 2.587 178.705 176.117 0.002 0.000 1.138 438 I CA 0.419 61.763 61.300 0.072 0.000 1.461 438 I CB -0.142 37.924 38.000 0.110 0.000 1.128 438 I HN 0.091 nan 8.210 nan 0.000 0.438 439 Q N 1.898 121.707 119.800 0.015 0.000 2.061 439 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 439 Q C 2.176 178.153 176.000 -0.038 0.000 0.984 439 Q CA 2.387 58.186 55.803 -0.007 0.000 0.846 439 Q CB -0.514 28.225 28.738 0.001 0.000 0.902 439 Q HN 0.508 nan 8.270 nan 0.000 0.421 440 G N 0.508 109.278 108.800 -0.049 0.000 2.442 440 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 440 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 440 G C 1.538 176.366 174.900 -0.121 0.000 1.141 440 G CA 1.533 46.572 45.100 -0.103 0.000 0.763 440 G HN 0.553 nan 8.290 nan 0.000 0.554 441 A N 0.738 123.503 122.820 -0.091 0.000 1.845 441 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 441 A C 2.448 180.004 177.584 -0.047 0.000 1.195 441 A CA 1.356 53.348 52.037 -0.076 0.000 0.616 441 A CB -0.564 18.317 19.000 -0.197 0.000 0.832 441 A HN 0.330 nan 8.150 nan 0.000 0.443 442 L N -0.336 120.855 121.223 -0.054 0.000 2.079 442 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 442 L C 2.347 179.198 176.870 -0.032 0.000 1.081 442 L CA 1.242 56.058 54.840 -0.040 0.000 0.752 442 L CB -0.464 41.578 42.059 -0.029 0.000 0.896 442 L HN 0.279 nan 8.230 nan 0.000 0.433 443 V N -0.640 119.252 119.914 -0.037 0.000 3.052 443 V HA 0.007 4.127 4.120 -0.000 0.000 0.254 443 V C 2.405 178.481 176.094 -0.031 0.000 1.100 443 V CA 1.164 63.444 62.300 -0.034 0.000 1.112 443 V CB -0.491 31.308 31.823 -0.040 0.000 0.738 443 V HN 0.492 nan 8.190 nan 0.000 0.469 444 G N 2.067 110.846 108.800 -0.035 0.000 2.666 444 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.215 444 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.215 444 G C 1.515 176.482 174.900 0.112 0.000 1.294 444 G CA 1.465 46.593 45.100 0.047 0.000 0.811 444 G HN 0.563 nan 8.290 nan 0.000 0.594 445 I N 0.846 121.463 120.570 0.079 0.000 2.121 445 I HA -0.277 3.892 4.170 -0.000 0.000 0.243 445 I C 3.016 179.118 176.117 -0.025 0.000 1.047 445 I CA 2.191 63.487 61.300 -0.006 0.000 1.308 445 I CB -1.182 36.785 38.000 -0.054 0.000 1.015 445 I HN 0.244 nan 8.210 nan 0.000 0.410 446 A N 1.406 124.213 122.820 -0.023 0.000 1.909 446 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 446 A C 2.415 179.990 177.584 -0.015 0.000 1.223 446 A CA 3.033 55.056 52.037 -0.023 0.000 0.658 446 A CB -0.789 18.201 19.000 -0.017 0.000 0.831 446 A HN 0.584 nan 8.150 nan 0.000 0.462 447 M N -0.543 119.058 119.600 0.001 0.000 2.086 447 M HA -0.107 4.372 4.480 -0.000 0.000 0.261 447 M C 2.081 178.380 176.300 -0.001 0.000 1.067 447 M CA 1.697 57.003 55.300 0.009 0.000 1.116 447 M CB -1.312 31.302 32.600 0.024 0.000 1.348 447 M HN 0.364 nan 8.290 nan 0.000 0.407 448 V N -0.924 118.985 119.914 -0.009 0.000 3.380 448 V HA -0.098 4.022 4.120 -0.000 0.000 0.268 448 V C 2.175 178.216 176.094 -0.088 0.000 1.168 448 V CA 0.673 62.947 62.300 -0.044 0.000 1.156 448 V CB -1.204 30.580 31.823 -0.065 0.000 0.785 448 V HN 0.340 nan 8.190 nan 0.000 0.487 449 L N 1.187 122.353 121.223 -0.094 0.000 2.168 449 L HA -0.007 4.332 4.340 -0.000 0.000 0.203 449 L C 2.671 179.472 176.870 -0.115 0.000 1.078 449 L CA 1.369 56.113 54.840 -0.161 0.000 0.780 449 L CB -0.597 41.369 42.059 -0.155 0.000 0.939 449 L HN 0.475 nan 8.230 nan 0.000 0.451 450 S N 0.320 116.002 115.700 -0.030 0.000 2.547 450 S HA -0.011 4.458 4.470 -0.000 0.000 0.235 450 S C 1.724 176.332 174.600 0.013 0.000 0.980 450 S CA 0.606 58.820 58.200 0.024 0.000 0.941 450 S CB -0.187 63.026 63.200 0.022 0.000 0.763 450 S HN 0.300 nan 8.310 nan 0.000 0.532 451 A N 0.710 123.521 122.820 -0.016 0.000 2.251 451 A HA 0.501 4.821 4.320 -0.000 0.000 0.209 451 A C 1.768 179.339 177.584 -0.022 0.000 1.187 451 A CA 0.522 52.553 52.037 -0.009 0.000 0.823 451 A CB -0.314 18.677 19.000 -0.016 0.000 0.846 451 A HN 1.090 nan 8.150 nan 0.000 0.486 452 V N -6.552 113.338 119.914 -0.040 0.000 3.368 452 V HA 0.321 4.441 4.120 -0.000 0.000 0.255 452 V C 1.707 177.804 176.094 0.006 0.000 1.466 452 V CA 0.097 62.362 62.300 -0.058 0.000 1.095 452 V CB -0.813 30.947 31.823 -0.105 0.000 0.899 452 V HN 0.130 nan 8.190 nan 0.000 0.440 453 F N 2.250 122.115 119.950 -0.142 0.000 2.074 453 F HA 0.157 4.683 4.527 -0.000 0.000 0.290 453 F C 2.443 178.145 175.800 -0.163 0.000 1.118 453 F CA 1.808 59.718 58.000 -0.149 0.000 1.199 453 F CB -0.588 38.344 39.000 -0.115 0.000 1.012 453 F HN -0.005 nan 8.300 nan 0.000 0.472 454 V N 1.813 121.748 119.914 0.034 0.000 2.407 454 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 454 V C -0.516 175.411 176.094 -0.280 0.000 1.055 454 V CA 1.819 64.019 62.300 -0.168 0.000 1.049 454 V CB -2.166 29.566 31.823 -0.151 0.000 0.662 454 V HN 0.173 nan 8.190 nan 0.000 0.455 455 P HA -0.214 nan 4.420 nan 0.000 0.215 455 P C 1.841 179.196 177.300 0.092 0.000 1.153 455 P CA 1.672 64.842 63.100 0.117 0.000 0.853 455 P CB -0.153 31.600 31.700 0.089 0.000 0.788 456 M N -0.859 118.689 119.600 -0.086 0.000 2.558 456 M HA 0.094 4.574 4.480 -0.000 0.000 0.255 456 M C 1.632 177.896 176.300 -0.060 0.000 1.113 456 M CA 0.800 56.004 55.300 -0.160 0.000 1.097 456 M CB -0.441 31.890 32.600 -0.449 0.000 1.426 456 M HN -0.152 nan 8.290 nan 0.000 0.488 457 A N -0.414 122.333 122.820 -0.121 0.000 2.239 457 A HA -0.040 4.279 4.320 -0.000 0.000 0.209 457 A C 0.721 178.323 177.584 0.030 0.000 1.171 457 A CA 0.289 52.256 52.037 -0.115 0.000 0.768 457 A CB -0.930 17.916 19.000 -0.256 0.000 0.790 457 A HN 0.463 nan 8.150 nan 0.000 0.478 458 F N 1.646 121.733 119.950 0.230 0.000 2.778 458 F HA 0.237 4.764 4.527 -0.000 0.000 0.295 458 F C 0.759 176.744 175.800 0.308 0.000 1.262 458 F CA -1.749 56.451 58.000 0.334 0.000 1.429 458 F CB -1.861 37.215 39.000 0.125 0.000 1.072 458 F HN 0.343 nan 8.300 nan 0.000 0.514 459 F N -0.585 119.479 119.950 0.191 0.000 1.597 459 F HA 0.094 4.620 4.527 -0.000 0.000 0.119 459 F C 0.360 176.257 175.800 0.162 0.000 0.328 459 F CA -0.325 57.782 58.000 0.177 0.000 0.491 459 F CB -0.789 38.278 39.000 0.112 0.000 0.738 459 F HN 0.208 nan 8.300 nan 0.000 0.657 460 G N 1.290 110.150 108.800 0.100 0.000 2.513 460 G HA2 0.682 4.642 3.960 -0.000 0.000 0.282 460 G HA3 0.682 4.642 3.960 -0.000 0.000 0.282 460 G C -0.041 174.881 174.900 0.035 0.000 1.397 460 G CA 0.306 45.386 45.100 -0.032 0.000 1.291 460 G HN 2.354 nan 8.290 nan 0.000 0.596 461 G N 1.871 110.667 108.800 -0.007 0.000 2.561 461 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.289 461 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.289 461 G C 1.609 176.538 174.900 0.050 0.000 1.169 461 G CA 0.945 46.056 45.100 0.020 0.000 0.980 461 G HN 1.598 nan 8.290 nan 0.000 0.550 462 S N 0.259 115.970 115.700 0.018 0.000 2.489 462 S HA 0.118 4.588 4.470 -0.000 0.000 0.228 462 S C 1.882 176.522 174.600 0.067 0.000 0.995 462 S CA 1.828 60.026 58.200 -0.002 0.000 0.934 462 S CB -0.298 62.840 63.200 -0.103 0.000 0.771 462 S HN 0.856 nan 8.310 nan 0.000 0.522 463 T N 1.567 116.190 114.554 0.114 0.000 3.393 463 T HA 0.255 4.604 4.350 -0.000 0.000 0.248 463 T C 1.333 176.120 174.700 0.145 0.000 0.992 463 T CA 0.195 62.384 62.100 0.148 0.000 0.929 463 T CB 0.140 69.111 68.868 0.172 0.000 1.065 463 T HN 0.385 nan 8.240 nan 0.000 0.597 464 G N 2.106 111.008 108.800 0.169 0.000 2.688 464 G HA2 0.114 4.074 3.960 -0.000 0.000 0.211 464 G HA3 0.114 4.074 3.960 -0.000 0.000 0.211 464 G C 1.705 176.694 174.900 0.147 0.000 1.399 464 G CA 0.307 45.606 45.100 0.331 0.000 0.901 464 G HN 0.510 nan 8.290 nan 0.000 0.555 465 A N -0.359 122.438 122.820 -0.039 0.000 2.234 465 A HA 0.055 4.374 4.320 -0.000 0.000 0.216 465 A C 2.233 179.692 177.584 -0.208 0.000 1.167 465 A CA 1.168 53.063 52.037 -0.236 0.000 0.698 465 A CB -0.399 18.424 19.000 -0.295 0.000 0.779 465 A HN 0.314 nan 8.150 nan 0.000 0.475 466 I N -1.454 119.025 120.570 -0.150 0.000 2.036 466 I HA -0.252 3.918 4.170 -0.000 0.000 0.231 466 I C 2.222 178.227 176.117 -0.185 0.000 1.044 466 I CA 1.834 62.971 61.300 -0.271 0.000 1.315 466 I CB -0.926 36.851 38.000 -0.372 0.000 1.051 466 I HN 0.462 nan 8.210 nan 0.000 0.391 467 Y N -0.158 120.138 120.300 -0.006 0.000 2.516 467 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 467 Y C 2.597 178.489 175.900 -0.013 0.000 1.131 467 Y CA 0.235 58.351 58.100 0.028 0.000 1.281 467 Y CB -0.142 38.363 38.460 0.074 0.000 1.013 467 Y HN 0.139 nan 8.280 nan 0.000 0.554 468 R N 1.208 121.752 120.500 0.074 0.000 2.126 468 R HA -0.253 4.087 4.340 -0.000 0.000 0.224 468 R C 1.884 178.141 176.300 -0.072 0.000 1.128 468 R CA 2.371 58.389 56.100 -0.137 0.000 0.895 468 R CB -0.578 29.447 30.300 -0.458 0.000 0.817 468 R HN 0.330 nan 8.270 nan 0.000 0.435 469 Q N -0.341 119.389 119.800 -0.117 0.000 2.197 469 Q HA -0.190 4.149 4.340 -0.000 0.000 0.207 469 Q C 2.133 178.270 176.000 0.228 0.000 0.984 469 Q CA 1.894 57.707 55.803 0.016 0.000 0.869 469 Q CB -0.256 28.375 28.738 -0.179 0.000 0.906 469 Q HN 0.470 nan 8.270 nan 0.000 0.426 470 F N 0.383 120.282 119.950 -0.084 0.000 2.063 470 F HA -0.357 4.170 4.527 -0.000 0.000 0.298 470 F C 2.869 178.402 175.800 -0.446 0.000 1.109 470 F CA 1.035 58.955 58.000 -0.134 0.000 1.212 470 F CB -0.224 38.776 39.000 0.000 0.000 0.973 470 F HN 0.203 nan 8.300 nan 0.000 0.480 471 S N 0.294 115.706 115.700 -0.480 0.000 2.317 471 S HA -0.189 4.281 4.470 -0.000 0.000 0.212 471 S C 1.924 176.220 174.600 -0.507 0.000 1.030 471 S CA 0.927 58.489 58.200 -1.063 0.000 0.970 471 S CB -0.809 62.005 63.200 -0.643 0.000 0.928 471 S HN 0.277 nan 8.310 nan 0.000 0.451 472 I N 2.380 122.831 120.570 -0.200 0.000 2.151 472 I HA -0.278 3.892 4.170 -0.000 0.000 0.236 472 I C 2.258 178.384 176.117 0.014 0.000 1.000 472 I CA 2.822 64.093 61.300 -0.047 0.000 1.285 472 I CB -1.531 36.495 38.000 0.043 0.000 0.994 472 I HN 0.463 nan 8.210 nan 0.000 0.396 473 T N 1.128 115.740 114.554 0.097 0.000 2.668 473 T HA -0.271 4.078 4.350 -0.000 0.000 0.265 473 T C 1.831 176.557 174.700 0.043 0.000 1.041 473 T CA 2.873 65.042 62.100 0.116 0.000 1.160 473 T CB -0.610 68.386 68.868 0.214 0.000 0.857 473 T HN 0.519 nan 8.240 nan 0.000 0.455 474 I N -0.147 120.424 120.570 0.001 0.000 2.852 474 I HA -0.008 4.162 4.170 -0.000 0.000 0.264 474 I C 2.350 178.550 176.117 0.139 0.000 1.179 474 I CA 0.237 61.582 61.300 0.075 0.000 1.480 474 I CB -0.197 37.912 38.000 0.182 0.000 1.111 474 I HN 0.063 nan 8.210 nan 0.000 0.441 475 V N 0.510 120.496 119.914 0.120 0.000 2.261 475 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 475 V C 2.740 178.872 176.094 0.063 0.000 1.047 475 V CA 2.378 64.752 62.300 0.123 0.000 1.015 475 V CB -0.607 31.256 31.823 0.067 0.000 0.642 475 V HN 0.573 nan 8.190 nan 0.000 0.446 476 S N 0.584 116.313 115.700 0.049 0.000 2.368 476 S HA -0.310 4.160 4.470 -0.000 0.000 0.226 476 S C 2.052 176.655 174.600 0.004 0.000 1.044 476 S CA 2.255 60.476 58.200 0.034 0.000 1.062 476 S CB -0.518 62.701 63.200 0.032 0.000 0.931 476 S HN 0.655 nan 8.310 nan 0.000 0.440 477 A N 1.694 124.515 122.820 0.002 0.000 2.067 477 A HA 0.046 4.365 4.320 -0.000 0.000 0.219 477 A C 2.299 179.877 177.584 -0.011 0.000 1.158 477 A CA 1.632 53.656 52.037 -0.020 0.000 0.661 477 A CB -0.776 18.211 19.000 -0.021 0.000 0.801 477 A HN 0.896 nan 8.150 nan 0.000 0.452 478 M N -1.150 118.459 119.600 0.014 0.000 2.193 478 M HA 0.130 4.610 4.480 -0.000 0.000 0.265 478 M C 2.095 178.389 176.300 -0.009 0.000 1.071 478 M CA 1.632 56.933 55.300 0.001 0.000 1.140 478 M CB -0.248 32.363 32.600 0.018 0.000 1.369 478 M HN 0.203 nan 8.290 nan 0.000 0.423 479 A N 1.318 124.138 122.820 -0.000 0.000 1.897 479 A HA 0.038 4.357 4.320 -0.000 0.000 0.215 479 A C 2.069 179.643 177.584 -0.017 0.000 1.181 479 A CA 1.277 53.311 52.037 -0.005 0.000 0.620 479 A CB -1.014 17.990 19.000 0.006 0.000 0.821 479 A HN 0.604 nan 8.150 nan 0.000 0.443 480 L N 0.572 121.779 121.223 -0.026 0.000 2.191 480 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 480 L C 2.879 179.723 176.870 -0.043 0.000 1.103 480 L CA 1.431 56.247 54.840 -0.041 0.000 0.769 480 L CB -0.363 41.662 42.059 -0.057 0.000 0.908 480 L HN 0.597 nan 8.230 nan 0.000 0.438 481 S N -1.149 114.527 115.700 -0.039 0.000 2.414 481 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 481 S C 1.875 176.454 174.600 -0.035 0.000 1.022 481 S CA 0.750 58.926 58.200 -0.041 0.000 0.958 481 S CB -0.309 62.867 63.200 -0.040 0.000 0.797 481 S HN 0.129 nan 8.310 nan 0.000 0.493 482 V N 1.849 121.746 119.914 -0.029 0.000 2.302 482 V HA 0.017 4.137 4.120 -0.000 0.000 0.243 482 V C 2.579 178.661 176.094 -0.019 0.000 1.036 482 V CA 1.551 63.837 62.300 -0.024 0.000 1.020 482 V CB -0.757 31.053 31.823 -0.021 0.000 0.657 482 V HN 0.427 nan 8.190 nan 0.000 0.453 483 L N -0.398 120.814 121.223 -0.019 0.000 1.989 483 L HA -0.198 4.141 4.340 -0.000 0.000 0.211 483 L C 2.492 179.352 176.870 -0.017 0.000 1.071 483 L CA 1.424 56.255 54.840 -0.015 0.000 0.749 483 L CB -0.728 41.321 42.059 -0.017 0.000 0.890 483 L HN 0.169 nan 8.230 nan 0.000 0.431 484 V N -0.027 119.869 119.914 -0.031 0.000 2.392 484 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 484 V C 2.415 178.493 176.094 -0.028 0.000 1.059 484 V CA 1.827 64.103 62.300 -0.041 0.000 1.051 484 V CB -0.788 30.997 31.823 -0.062 0.000 0.658 484 V HN 0.515 nan 8.190 nan 0.000 0.455 485 A N -1.384 121.423 122.820 -0.022 0.000 2.235 485 A HA 0.165 4.485 4.320 -0.000 0.000 0.208 485 A C 1.836 179.421 177.584 0.001 0.000 1.172 485 A CA 0.692 52.723 52.037 -0.010 0.000 0.786 485 A CB -0.195 18.796 19.000 -0.015 0.000 0.804 485 A HN 0.513 nan 8.150 nan 0.000 0.479 486 L N -1.540 119.685 121.223 0.003 0.000 2.749 486 L HA 0.272 4.611 4.340 -0.000 0.000 0.242 486 L C 1.540 178.426 176.870 0.025 0.000 1.103 486 L CA 0.435 55.282 54.840 0.012 0.000 0.906 486 L CB 0.032 42.094 42.059 0.007 0.000 1.228 486 L HN 0.407 nan 8.230 nan 0.000 0.517 487 I N -1.819 118.765 120.570 0.024 0.000 3.650 487 I HA -0.030 4.139 4.170 -0.000 0.000 0.261 487 I C 1.905 178.055 176.117 0.055 0.000 1.154 487 I CA 0.130 61.457 61.300 0.044 0.000 1.418 487 I CB 0.025 38.049 38.000 0.040 0.000 1.539 487 I HN 0.021 nan 8.210 nan 0.000 0.449 488 L N 1.285 122.518 121.223 0.017 0.000 2.013 488 L HA 0.027 4.366 4.340 -0.000 0.000 0.204 488 L C 2.408 179.295 176.870 0.028 0.000 1.081 488 L CA 2.375 57.212 54.840 -0.005 0.000 0.751 488 L CB -1.008 40.972 42.059 -0.132 0.000 0.901 488 L HN 0.147 nan 8.230 nan 0.000 0.440 489 T N 0.832 115.386 114.554 -0.000 0.000 2.685 489 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 489 T C -0.611 174.120 174.700 0.052 0.000 1.034 489 T CA 2.026 64.138 62.100 0.020 0.000 1.149 489 T CB -1.415 67.455 68.868 0.003 0.000 0.860 489 T HN 0.317 nan 8.240 nan 0.000 0.449 490 P HA -0.153 nan 4.420 nan 0.000 0.208 490 P C 1.710 179.062 177.300 0.086 0.000 1.180 490 P CA 1.679 64.817 63.100 0.062 0.000 0.935 490 P CB -0.417 31.316 31.700 0.054 0.000 0.785 491 A N -0.418 122.466 122.820 0.108 0.000 1.863 491 A HA -0.285 4.034 4.320 -0.000 0.000 0.218 491 A C 2.342 180.031 177.584 0.175 0.000 1.233 491 A CA 2.421 54.543 52.037 0.141 0.000 0.655 491 A CB -1.853 17.272 19.000 0.209 0.000 0.839 491 A HN 0.186 nan 8.150 nan 0.000 0.454 492 L N -0.884 120.514 121.223 0.291 0.000 2.010 492 L HA -0.329 4.011 4.340 -0.000 0.000 0.219 492 L C 2.813 179.784 176.870 0.169 0.000 1.077 492 L CA 2.343 57.383 54.840 0.333 0.000 0.773 492 L CB -0.512 41.750 42.059 0.339 0.000 0.892 492 L HN 0.725 nan 8.230 nan 0.000 0.436 493 C N -0.675 118.697 119.300 0.121 0.000 2.413 493 C HA -0.169 4.290 4.460 -0.000 0.000 0.276 493 C C 2.974 178.006 174.990 0.069 0.000 1.248 493 C CA 0.905 59.974 59.018 0.085 0.000 1.742 493 C CB -0.988 26.794 27.740 0.070 0.000 2.017 493 C HN 0.681 nan 8.230 nan 0.000 0.481 494 A N -0.275 122.584 122.820 0.064 0.000 1.825 494 A HA -0.083 4.236 4.320 -0.000 0.000 0.214 494 A C 2.240 179.841 177.584 0.029 0.000 1.206 494 A CA 2.597 54.660 52.037 0.043 0.000 0.609 494 A CB -1.671 17.353 19.000 0.040 0.000 0.851 494 A HN 0.572 nan 8.150 nan 0.000 0.445 495 T N -1.221 113.346 114.554 0.020 0.000 2.616 495 T HA -0.217 4.132 4.350 -0.000 0.000 0.261 495 T C 0.803 175.500 174.700 -0.005 0.000 1.105 495 T CA 2.026 64.117 62.100 -0.015 0.000 1.159 495 T CB -0.255 68.589 68.868 -0.040 0.000 0.856 495 T HN 0.439 nan 8.240 nan 0.000 0.449 496 M N -0.086 119.530 119.600 0.028 0.000 2.272 496 M HA 0.369 4.848 4.480 -0.000 0.000 0.240 496 M C -1.080 175.257 176.300 0.062 0.000 0.991 496 M CA -0.334 54.987 55.300 0.037 0.000 1.008 496 M CB 1.720 34.337 32.600 0.028 0.000 2.221 496 M HN 0.225 nan 8.290 nan 0.000 0.469 497 L N 4.268 125.525 121.223 0.056 0.000 2.678 497 L HA 0.492 4.832 4.340 -0.000 0.000 0.211 497 L C 0.162 177.070 176.870 0.065 0.000 1.043 497 L CA 1.140 56.018 54.840 0.063 0.000 0.881 497 L CB 0.100 42.194 42.059 0.059 0.000 1.361 497 L HN 0.661 nan 8.230 nan 0.000 0.484 514 G N -0.232 108.465 108.800 -0.171 0.000 2.598 514 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.215 514 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.215 514 G C 0.569 175.527 174.900 0.097 0.000 1.131 514 G CA 0.454 45.537 45.100 -0.028 0.000 0.785 514 G HN 0.520 nan 8.290 nan 0.000 0.539 515 W N 0.515 121.894 121.300 0.131 0.000 2.409 515 W HA 0.173 4.833 4.660 -0.000 0.000 0.299 515 W C 2.025 178.468 176.519 -0.128 0.000 1.203 515 W CA -0.212 57.097 57.345 -0.060 0.000 1.298 515 W CB -1.531 27.809 29.460 -0.199 0.000 1.127 515 W HN 0.196 nan 8.180 nan 0.000 0.528 516 F N 1.757 121.821 119.950 0.190 0.000 2.161 516 F HA -0.262 4.264 4.527 -0.000 0.000 0.300 516 F C 2.146 178.063 175.800 0.194 0.000 1.089 516 F CA 1.601 59.672 58.000 0.119 0.000 1.282 516 F CB -1.193 37.914 39.000 0.178 0.000 1.010 516 F HN -0.137 nan 8.300 nan 0.000 0.485 517 N N 0.244 119.134 118.700 0.316 0.000 2.120 517 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 517 N C 1.817 177.425 175.510 0.163 0.000 1.024 517 N CA 1.218 54.397 53.050 0.214 0.000 0.852 517 N CB -0.280 38.289 38.487 0.137 0.000 1.003 517 N HN 0.269 nan 8.380 nan 0.000 0.424 518 R N -0.269 120.311 120.500 0.134 0.000 2.055 518 R HA 0.054 4.394 4.340 -0.000 0.000 0.226 518 R C 2.031 178.351 176.300 0.033 0.000 1.135 518 R CA 0.770 56.927 56.100 0.095 0.000 0.959 518 R CB -0.498 29.860 30.300 0.096 0.000 0.854 518 R HN 0.099 nan 8.270 nan 0.000 0.431 519 M N 1.011 120.576 119.600 -0.058 0.000 2.609 519 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 519 M C 1.723 177.902 176.300 -0.202 0.000 1.061 519 M CA 1.845 57.002 55.300 -0.239 0.000 1.068 519 M CB -0.915 31.392 32.600 -0.489 0.000 1.258 519 M HN 0.156 nan 8.290 nan 0.000 0.471 520 F N 0.011 119.935 119.950 -0.045 0.000 2.269 520 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 520 F C 2.334 178.056 175.800 -0.130 0.000 1.082 520 F CA 1.428 59.390 58.000 -0.064 0.000 1.360 520 F CB -0.460 38.516 39.000 -0.040 0.000 1.041 520 F HN 0.445 nan 8.300 nan 0.000 0.512 521 E N 0.838 121.065 120.200 0.045 0.000 1.987 521 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 521 E C 2.052 178.672 176.600 0.034 0.000 0.968 521 E CA 0.939 57.276 56.400 -0.106 0.000 0.867 521 E CB -0.005 29.730 29.700 0.059 0.000 0.819 521 E HN -0.089 nan 8.360 nan 0.000 0.516 522 K N 0.545 121.066 120.400 0.203 0.000 2.209 522 K HA -0.317 4.003 4.320 -0.000 0.000 0.220 522 K C 2.226 178.926 176.600 0.167 0.000 1.002 522 K CA 2.151 58.579 56.287 0.234 0.000 0.947 522 K CB -1.264 31.289 32.500 0.088 0.000 0.891 522 K HN 0.159 nan 8.250 nan 0.000 0.476 523 S N -0.986 114.743 115.700 0.049 0.000 2.354 523 S HA -0.179 4.291 4.470 -0.000 0.000 0.219 523 S C 1.951 176.646 174.600 0.157 0.000 1.035 523 S CA 2.242 60.465 58.200 0.039 0.000 1.037 523 S CB -0.591 62.574 63.200 -0.058 0.000 0.956 523 S HN 0.493 nan 8.310 nan 0.000 0.428 524 T N 1.406 116.023 114.554 0.105 0.000 2.732 524 T HA 0.048 4.397 4.350 -0.000 0.000 0.261 524 T C 0.971 175.768 174.700 0.162 0.000 1.040 524 T CA 1.030 63.195 62.100 0.108 0.000 1.145 524 T CB -0.524 68.372 68.868 0.046 0.000 0.866 524 T HN 0.589 nan 8.240 nan 0.000 0.427 525 H N -0.169 118.921 119.070 0.034 0.000 2.021 525 H HA 0.057 4.612 4.556 -0.000 0.000 0.333 525 H C 1.555 176.889 175.328 0.011 0.000 1.934 525 H CA -0.493 55.509 56.048 -0.076 0.000 1.383 525 H CB 0.232 29.847 29.762 -0.246 0.000 1.670 525 H HN 0.263 nan 8.280 nan 0.000 0.533 526 H N -1.187 118.004 119.070 0.203 0.000 1.456 526 H HA -0.399 4.157 4.556 -0.000 0.000 0.090 526 H C 1.944 177.347 175.328 0.125 0.000 0.674 526 H CA 2.454 58.591 56.048 0.149 0.000 1.901 526 H CB -1.627 28.232 29.762 0.162 0.000 2.257 526 H HN 0.729 nan 8.280 nan 0.000 0.961 527 Y N 1.874 122.238 120.300 0.107 0.000 2.062 527 Y HA -0.196 4.354 4.550 -0.000 0.000 0.272 527 Y C 2.892 178.776 175.900 -0.028 0.000 1.117 527 Y CA 2.846 60.863 58.100 -0.138 0.000 1.095 527 Y CB -0.696 37.605 38.460 -0.266 0.000 0.985 527 Y HN 0.378 nan 8.280 nan 0.000 0.479 528 T N 0.287 114.843 114.554 0.003 0.000 3.007 528 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 528 T C 1.085 175.736 174.700 -0.082 0.000 1.107 528 T CA 1.272 63.322 62.100 -0.084 0.000 1.118 528 T CB -0.287 68.641 68.868 0.099 0.000 0.889 528 T HN 0.376 nan 8.240 nan 0.000 0.506 529 D N 1.538 121.925 120.400 -0.023 0.000 2.120 529 D HA -0.048 4.591 4.640 -0.000 0.000 0.202 529 D C 2.546 178.823 176.300 -0.039 0.000 0.972 529 D CA 1.428 55.412 54.000 -0.026 0.000 0.837 529 D CB -0.433 40.361 40.800 -0.010 0.000 0.989 529 D HN 0.509 nan 8.370 nan 0.000 0.469 530 S N 0.232 115.930 115.700 -0.003 0.000 2.387 530 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 530 S C 2.268 176.845 174.600 -0.038 0.000 1.026 530 S CA 0.547 58.763 58.200 0.027 0.000 0.972 530 S CB -0.752 62.550 63.200 0.171 0.000 0.814 530 S HN 0.054 nan 8.310 nan 0.000 0.477 531 V N 2.674 122.517 119.914 -0.118 0.000 2.277 531 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 531 V C 2.837 178.794 176.094 -0.228 0.000 1.067 531 V CA 2.196 64.367 62.300 -0.215 0.000 1.047 531 V CB -1.660 29.924 31.823 -0.397 0.000 0.649 531 V HN 0.692 nan 8.190 nan 0.000 0.447 532 G N -0.843 107.844 108.800 -0.189 0.000 2.408 532 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 532 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 532 G C 1.577 176.386 174.900 -0.151 0.000 1.150 532 G CA 0.837 45.831 45.100 -0.176 0.000 0.776 532 G HN 0.621 nan 8.290 nan 0.000 0.542 533 G N 1.481 110.217 108.800 -0.106 0.000 2.408 533 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 533 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 533 G C 1.833 176.678 174.900 -0.091 0.000 1.150 533 G CA 0.979 46.037 45.100 -0.071 0.000 0.776 533 G HN 0.632 nan 8.290 nan 0.000 0.542 534 I N -1.926 118.552 120.570 -0.153 0.000 2.439 534 I HA 0.093 4.262 4.170 -0.000 0.000 0.251 534 I C 2.464 178.388 176.117 -0.322 0.000 1.139 534 I CA 0.766 61.900 61.300 -0.277 0.000 1.438 534 I CB -0.278 37.542 38.000 -0.300 0.000 1.085 534 I HN 0.038 nan 8.210 nan 0.000 0.427 535 L N 1.089 122.089 121.223 -0.372 0.000 2.141 535 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 535 L C 3.030 179.673 176.870 -0.378 0.000 1.094 535 L CA 1.201 55.723 54.840 -0.530 0.000 0.763 535 L CB -0.411 41.391 42.059 -0.429 0.000 0.908 535 L HN 0.230 nan 8.230 nan 0.000 0.437 536 R N -0.184 120.180 120.500 -0.228 0.000 2.083 536 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 536 R C 1.250 177.490 176.300 -0.100 0.000 1.137 536 R CA 1.257 57.273 56.100 -0.139 0.000 0.951 536 R CB -0.953 29.299 30.300 -0.079 0.000 0.851 536 R HN 0.375 nan 8.270 nan 0.000 0.434 537 S N -0.547 115.120 115.700 -0.054 0.000 2.608 537 S HA 0.260 4.730 4.470 -0.000 0.000 0.261 537 S C 0.575 175.212 174.600 0.063 0.000 1.314 537 S CA -0.285 57.965 58.200 0.083 0.000 0.992 537 S CB 1.941 65.321 63.200 0.299 0.000 0.935 537 S HN 0.205 nan 8.310 nan 0.000 0.564 538 T N -0.665 114.036 114.554 0.245 0.000 3.878 538 T HA 0.191 4.541 4.350 -0.000 0.000 0.313 538 T C 1.661 176.553 174.700 0.320 0.000 0.917 538 T CA 0.155 62.427 62.100 0.288 0.000 1.190 538 T CB -1.201 67.698 68.868 0.052 0.000 1.068 538 T HN 0.687 nan 8.240 nan 0.000 0.494 539 G N 1.354 110.278 108.800 0.207 0.000 2.422 539 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 539 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 539 G C 1.403 176.404 174.900 0.168 0.000 1.140 539 G CA 1.283 46.480 45.100 0.161 0.000 0.775 539 G HN 0.461 nan 8.290 nan 0.000 0.545 540 R N -1.006 119.619 120.500 0.207 0.000 2.057 540 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 540 R C 2.166 178.525 176.300 0.097 0.000 1.136 540 R CA 0.954 57.131 56.100 0.129 0.000 0.952 540 R CB -0.428 29.936 30.300 0.106 0.000 0.848 540 R HN 0.362 nan 8.270 nan 0.000 0.430 541 Y N 0.770 121.120 120.300 0.083 0.000 2.352 541 Y HA -0.136 4.413 4.550 -0.000 0.000 0.292 541 Y C 1.996 177.884 175.900 -0.020 0.000 1.136 541 Y CA 0.925 59.004 58.100 -0.035 0.000 1.227 541 Y CB -0.260 38.036 38.460 -0.273 0.000 0.991 541 Y HN 0.157 nan 8.280 nan 0.000 0.545 542 L N -0.626 120.729 121.223 0.220 0.000 1.994 542 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 542 L C 1.997 178.974 176.870 0.178 0.000 1.071 542 L CA 1.654 56.603 54.840 0.180 0.000 0.745 542 L CB -0.741 41.421 42.059 0.171 0.000 0.892 542 L HN 0.001 nan 8.230 nan 0.000 0.431 543 V N -0.300 119.686 119.914 0.121 0.000 3.141 543 V HA -0.171 3.948 4.120 -0.000 0.000 0.265 543 V C 2.291 178.412 176.094 0.045 0.000 1.126 543 V CA 1.272 63.621 62.300 0.080 0.000 1.141 543 V CB -0.409 31.445 31.823 0.051 0.000 0.743 543 V HN 0.501 nan 8.190 nan 0.000 0.492 544 L N -0.409 120.833 121.223 0.032 0.000 2.072 544 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 544 L C 2.326 179.215 176.870 0.032 0.000 1.079 544 L CA 1.832 56.666 54.840 -0.010 0.000 0.752 544 L CB -0.596 41.417 42.059 -0.076 0.000 0.906 544 L HN 0.420 nan 8.230 nan 0.000 0.436 545 Y N -0.363 119.920 120.300 -0.030 0.000 2.333 545 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 545 Y C 1.923 177.819 175.900 -0.006 0.000 1.144 545 Y CA 1.702 59.792 58.100 -0.017 0.000 1.228 545 Y CB -0.141 38.318 38.460 -0.002 0.000 0.985 545 Y HN 0.191 nan 8.280 nan 0.000 0.542 546 L N -0.642 120.620 121.223 0.066 0.000 2.044 546 L HA -0.164 4.175 4.340 -0.000 0.000 0.205 546 L C 2.416 179.237 176.870 -0.082 0.000 1.075 546 L CA 1.186 56.017 54.840 -0.014 0.000 0.747 546 L CB -0.625 41.475 42.059 0.067 0.000 0.903 546 L HN 0.182 nan 8.230 nan 0.000 0.435 547 I N 0.214 120.754 120.570 -0.051 0.000 2.248 547 I HA -0.355 3.815 4.170 -0.000 0.000 0.248 547 I C 2.451 178.511 176.117 -0.095 0.000 1.107 547 I CA 1.577 62.839 61.300 -0.063 0.000 1.373 547 I CB -0.080 37.889 38.000 -0.050 0.000 1.055 547 I HN 0.218 nan 8.210 nan 0.000 0.418 548 I N -0.383 120.102 120.570 -0.141 0.000 2.179 548 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 548 I C 2.264 178.272 176.117 -0.181 0.000 1.088 548 I CA 1.198 62.398 61.300 -0.166 0.000 1.357 548 I CB -0.214 37.658 38.000 -0.213 0.000 1.051 548 I HN -0.007 nan 8.210 nan 0.000 0.409 549 V N 0.183 119.939 119.914 -0.264 0.000 2.970 549 V HA -0.142 3.977 4.120 -0.000 0.000 0.260 549 V C 2.251 178.285 176.094 -0.101 0.000 1.100 549 V CA 0.802 62.974 62.300 -0.214 0.000 1.122 549 V CB -0.039 31.613 31.823 -0.285 0.000 0.721 549 V HN 0.225 nan 8.190 nan 0.000 0.483 550 V N 1.101 120.969 119.914 -0.077 0.000 2.270 550 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 550 V C 2.640 178.741 176.094 0.012 0.000 1.043 550 V CA 2.310 64.593 62.300 -0.028 0.000 1.014 550 V CB -1.350 30.452 31.823 -0.035 0.000 0.645 550 V HN 0.567 nan 8.190 nan 0.000 0.447 551 G N -1.018 107.782 108.800 0.000 0.000 2.453 551 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.215 551 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.215 551 G C 1.621 176.584 174.900 0.105 0.000 1.201 551 G CA 1.145 46.277 45.100 0.054 0.000 0.784 551 G HN 0.287 nan 8.290 nan 0.000 0.545 552 M N 0.876 120.498 119.600 0.036 0.000 2.240 552 M HA -0.331 4.149 4.480 -0.000 0.000 0.250 552 M C 2.794 179.146 176.300 0.086 0.000 1.075 552 M CA 2.356 57.674 55.300 0.030 0.000 1.072 552 M CB -0.536 32.029 32.600 -0.058 0.000 1.305 552 M HN 0.352 nan 8.290 nan 0.000 0.414 553 A N -1.214 121.656 122.820 0.084 0.000 1.858 553 A HA -0.263 4.056 4.320 -0.000 0.000 0.216 553 A C 1.903 179.629 177.584 0.237 0.000 1.190 553 A CA 1.824 53.951 52.037 0.150 0.000 0.617 553 A CB -1.404 17.660 19.000 0.107 0.000 0.827 553 A HN 0.699 nan 8.150 nan 0.000 0.443 554 Y N 0.245 120.596 120.300 0.084 0.000 2.315 554 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 554 Y C 1.801 177.751 175.900 0.083 0.000 1.154 554 Y CA 1.362 59.503 58.100 0.069 0.000 1.229 554 Y CB -0.090 38.392 38.460 0.035 0.000 0.980 554 Y HN 0.202 nan 8.280 nan 0.000 0.540 555 L N -0.696 120.623 121.223 0.161 0.000 2.622 555 L HA -0.129 4.211 4.340 -0.000 0.000 0.233 555 L C 1.417 178.363 176.870 0.128 0.000 1.156 555 L CA 1.092 55.996 54.840 0.106 0.000 0.866 555 L CB -0.431 41.718 42.059 0.152 0.000 0.980 555 L HN 0.425 nan 8.230 nan 0.000 0.448 556 F N -1.772 118.154 119.950 -0.040 0.000 2.640 556 F HA 0.079 4.606 4.527 -0.000 0.000 0.285 556 F C 1.802 177.576 175.800 -0.043 0.000 1.031 556 F CA 0.314 58.309 58.000 -0.008 0.000 1.240 556 F CB 0.054 39.054 39.000 0.000 0.000 1.011 556 F HN -0.279 nan 8.300 nan 0.000 0.656 557 V N 0.979 120.784 119.914 -0.181 0.000 2.453 557 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 557 V C 2.294 178.218 176.094 -0.284 0.000 1.048 557 V CA 1.875 64.010 62.300 -0.275 0.000 1.049 557 V CB -0.648 31.134 31.823 -0.069 0.000 0.672 557 V HN 0.143 nan 8.190 nan 0.000 0.457 558 R N -0.432 119.875 120.500 -0.321 0.000 2.193 558 R HA 0.171 4.511 4.340 -0.000 0.000 0.213 558 R C 0.842 177.005 176.300 -0.229 0.000 1.055 558 R CA 0.283 56.190 56.100 -0.322 0.000 0.995 558 R CB -0.487 29.483 30.300 -0.551 0.000 0.893 558 R HN 0.425 nan 8.270 nan 0.000 0.459 559 L N 3.315 124.413 121.223 -0.209 0.000 2.433 559 L HA 0.168 4.508 4.340 -0.000 0.000 0.275 559 L C -1.895 174.894 176.870 -0.134 0.000 1.128 559 L CA -1.804 52.955 54.840 -0.134 0.000 0.875 559 L CB 0.594 42.615 42.059 -0.063 0.000 1.171 559 L HN 0.053 nan 8.230 nan 0.000 0.463 560 P HA -0.011 nan 4.420 nan 0.000 0.270 560 P C -1.026 176.252 177.300 -0.036 0.000 1.223 560 P CA -0.298 62.761 63.100 -0.069 0.000 0.785 560 P CB 1.030 32.701 31.700 -0.048 0.000 0.923 561 S N 0.957 116.644 115.700 -0.021 0.000 2.532 561 S HA 0.420 4.890 4.470 -0.000 0.000 0.318 561 S C -0.012 174.624 174.600 0.061 0.000 1.083 561 S CA -0.437 57.780 58.200 0.028 0.000 1.131 561 S CB -0.241 62.967 63.200 0.013 0.000 0.973 561 S HN 0.379 nan 8.310 nan 0.000 0.468 562 S N 3.378 119.130 115.700 0.087 0.000 2.690 562 S HA 0.575 5.045 4.470 -0.000 0.000 0.285 562 S C 0.150 174.857 174.600 0.179 0.000 1.135 562 S CA -0.563 57.705 58.200 0.113 0.000 1.020 562 S CB 0.568 63.823 63.200 0.092 0.000 1.159 562 S HN 0.774 nan 8.310 nan 0.000 0.534 563 F N -0.335 119.619 119.950 0.006 0.000 2.536 563 F HA 0.592 5.118 4.527 -0.000 0.000 0.278 563 F C -0.380 175.384 175.800 -0.060 0.000 0.945 563 F CA 0.145 58.127 58.000 -0.030 0.000 1.244 563 F CB 0.258 39.223 39.000 -0.059 0.000 1.118 563 F HN 0.342 nan 8.300 nan 0.000 0.725 564 L N 1.505 122.748 121.223 0.034 0.000 2.513 564 L HA 0.462 4.802 4.340 -0.000 0.000 0.261 564 L C -2.684 174.249 176.870 0.105 0.000 0.945 564 L CA -1.967 52.841 54.840 -0.053 0.000 0.848 564 L CB 1.719 43.708 42.059 -0.116 0.000 1.334 564 L HN -0.106 nan 8.230 nan 0.000 0.407 565 P HA 0.189 nan 4.420 nan 0.000 0.271 565 P C -1.160 176.244 177.300 0.173 0.000 1.233 565 P CA -0.174 63.032 63.100 0.177 0.000 0.764 565 P CB 0.364 32.200 31.700 0.226 0.000 0.825 566 D N 2.478 122.954 120.400 0.127 0.000 2.351 566 D HA 0.166 4.806 4.640 -0.000 0.000 0.251 566 D C 0.501 176.872 176.300 0.120 0.000 1.137 566 D CA 0.192 54.261 54.000 0.115 0.000 0.879 566 D CB 0.697 41.544 40.800 0.078 0.000 1.181 566 D HN 0.418 nan 8.370 nan 0.000 0.448 567 E N 1.154 121.436 120.200 0.136 0.000 2.369 567 E HA 0.253 4.603 4.350 -0.000 0.000 0.270 567 E C -0.969 175.697 176.600 0.110 0.000 0.909 567 E CA -1.054 55.436 56.400 0.151 0.000 0.775 567 E CB 1.372 31.213 29.700 0.235 0.000 1.270 567 E HN 0.201 nan 8.360 nan 0.000 0.445 568 D N 0.924 121.407 120.400 0.138 0.000 2.586 568 D HA -0.110 4.530 4.640 -0.000 0.000 0.234 568 D C -0.068 176.326 176.300 0.156 0.000 1.132 568 D CA 0.956 55.030 54.000 0.123 0.000 0.860 568 D CB 0.936 41.872 40.800 0.227 0.000 1.159 568 D HN 0.511 nan 8.370 nan 0.000 0.490 569 Q N 1.834 121.559 119.800 -0.124 0.000 2.189 569 Q HA 0.215 4.554 4.340 -0.000 0.000 0.223 569 Q C 1.104 176.854 176.000 -0.417 0.000 0.828 569 Q CA 0.317 55.900 55.803 -0.367 0.000 0.967 569 Q CB 0.653 29.110 28.738 -0.468 0.000 1.139 569 Q HN 0.799 nan 8.270 nan 0.000 0.497 570 G N 0.761 109.194 108.800 -0.611 0.000 2.176 570 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.252 570 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.252 570 G C -0.234 174.457 174.900 -0.348 0.000 1.024 570 G CA 0.401 45.073 45.100 -0.713 0.000 0.755 570 G HN 0.234 nan 8.290 nan 0.000 0.507 571 V N -0.079 119.687 119.914 -0.247 0.000 2.854 571 V HA 0.541 4.661 4.120 -0.000 0.000 0.274 571 V C -0.355 175.593 176.094 -0.243 0.000 1.423 571 V CA -0.350 61.781 62.300 -0.282 0.000 0.925 571 V CB 0.960 32.560 31.823 -0.371 0.000 1.116 571 V HN 1.210 nan 8.190 nan 0.000 0.459 572 F N 4.627 124.337 119.950 -0.400 0.000 2.824 572 F HA 0.980 5.507 4.527 -0.000 0.000 0.330 572 F C -0.598 175.024 175.800 -0.297 0.000 1.175 572 F CA -1.071 56.718 58.000 -0.352 0.000 0.974 572 F CB 2.097 40.941 39.000 -0.259 0.000 1.430 572 F HN 0.523 nan 8.300 nan 0.000 0.507 573 M N 0.780 120.116 119.600 -0.441 0.000 2.924 573 M HA 0.742 5.222 4.480 -0.000 0.000 0.271 573 M C -1.778 174.211 176.300 -0.519 0.000 1.280 573 M CA -0.540 54.506 55.300 -0.423 0.000 0.813 573 M CB 2.187 34.741 32.600 -0.076 0.000 1.658 573 M HN 0.948 nan 8.290 nan 0.000 0.467 574 T N 1.632 116.058 114.554 -0.212 0.000 3.435 574 T HA 0.518 4.867 4.350 -0.000 0.000 0.344 574 T C -1.104 173.625 174.700 0.048 0.000 1.211 574 T CA -0.819 61.217 62.100 -0.106 0.000 1.104 574 T CB 1.224 70.117 68.868 0.042 0.000 1.196 574 T HN 0.956 nan 8.240 nan 0.000 0.471 575 M N 3.674 123.373 119.600 0.165 0.000 2.528 575 M HA 0.893 5.373 4.480 -0.000 0.000 0.318 575 M C -1.212 175.045 176.300 -0.071 0.000 1.195 575 M CA -0.760 54.607 55.300 0.111 0.000 1.000 575 M CB 1.716 34.467 32.600 0.250 0.000 1.615 575 M HN 0.314 nan 8.290 nan 0.000 0.469 576 V N 1.292 121.152 119.914 -0.089 0.000 2.919 576 V HA 0.656 4.775 4.120 -0.000 0.000 0.316 576 V C -0.898 175.129 176.094 -0.111 0.000 1.077 576 V CA -0.512 61.692 62.300 -0.160 0.000 0.977 576 V CB 1.606 33.341 31.823 -0.147 0.000 1.039 576 V HN 0.949 nan 8.190 nan 0.000 0.441 577 Q N 2.339 122.059 119.800 -0.134 0.000 2.371 577 Q HA 0.448 4.788 4.340 -0.000 0.000 0.244 577 Q C -1.992 173.968 176.000 -0.067 0.000 0.882 577 Q CA -0.244 55.513 55.803 -0.076 0.000 0.866 577 Q CB 1.222 29.919 28.738 -0.068 0.000 1.399 577 Q HN 0.583 nan 8.270 nan 0.000 0.432 578 L N 4.627 125.827 121.223 -0.038 0.000 2.454 578 L HA 0.644 4.984 4.340 -0.000 0.000 0.256 578 L C -1.672 175.194 176.870 -0.007 0.000 1.136 578 L CA -1.680 53.143 54.840 -0.028 0.000 0.804 578 L CB 0.146 42.192 42.059 -0.022 0.000 1.181 578 L HN 0.638 nan 8.230 nan 0.000 0.469 579 P HA 0.009 nan 4.420 nan 0.000 0.280 579 P C -0.877 176.439 177.300 0.027 0.000 1.278 579 P CA -0.487 62.621 63.100 0.014 0.000 0.787 579 P CB 0.273 31.980 31.700 0.011 0.000 1.163 580 A N -0.346 122.498 122.820 0.040 0.000 2.515 580 A HA 0.413 4.733 4.320 -0.000 0.000 0.263 580 A C 1.282 178.905 177.584 0.065 0.000 1.096 580 A CA 0.576 52.650 52.037 0.061 0.000 0.769 580 A CB -1.789 17.260 19.000 0.081 0.000 1.040 580 A HN 0.884 nan 8.150 nan 0.000 0.505 581 G N 1.322 110.164 108.800 0.070 0.000 2.256 581 G HA2 0.190 4.150 3.960 -0.000 0.000 0.272 581 G HA3 0.190 4.150 3.960 -0.000 0.000 0.272 581 G C 0.462 175.392 174.900 0.050 0.000 1.076 581 G CA 0.373 45.518 45.100 0.075 0.000 0.882 581 G HN 2.038 nan 8.290 nan 0.000 0.497 582 A N -0.504 122.336 122.820 0.033 0.000 2.280 582 A HA 0.916 5.236 4.320 -0.000 0.000 0.268 582 A C 1.026 178.619 177.584 0.014 0.000 1.111 582 A CA 0.911 52.958 52.037 0.016 0.000 0.814 582 A CB 0.488 19.491 19.000 0.004 0.000 1.093 582 A HN 1.624 nan 8.150 nan 0.000 0.498 583 T N -2.010 112.544 114.554 0.001 0.000 2.919 583 T HA 0.418 4.767 4.350 -0.000 0.000 0.282 583 T C 0.816 175.509 174.700 -0.012 0.000 1.020 583 T CA -0.148 61.950 62.100 -0.004 0.000 0.994 583 T CB 1.222 70.083 68.868 -0.012 0.000 1.180 583 T HN 0.629 nan 8.240 nan 0.000 0.566 584 Q N -0.445 119.346 119.800 -0.015 0.000 2.230 584 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 584 Q C 1.957 177.939 176.000 -0.030 0.000 0.963 584 Q CA 1.046 56.838 55.803 -0.019 0.000 0.866 584 Q CB 0.065 28.794 28.738 -0.015 0.000 0.931 584 Q HN 0.748 nan 8.270 nan 0.000 0.452 585 E N 0.117 120.296 120.200 -0.035 0.000 2.170 585 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 585 E C 1.944 178.519 176.600 -0.043 0.000 0.981 585 E CA 0.337 56.712 56.400 -0.042 0.000 0.830 585 E CB 0.157 29.829 29.700 -0.047 0.000 0.775 585 E HN 0.243 nan 8.360 nan 0.000 0.470 586 R N 0.002 120.479 120.500 -0.037 0.000 2.062 586 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 586 R C 2.390 178.664 176.300 -0.044 0.000 1.128 586 R CA 1.651 57.729 56.100 -0.037 0.000 0.960 586 R CB -0.385 29.898 30.300 -0.028 0.000 0.855 586 R HN 0.024 nan 8.270 nan 0.000 0.432 587 T N -0.016 114.514 114.554 -0.041 0.000 2.867 587 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 587 T C 1.697 176.359 174.700 -0.063 0.000 1.057 587 T CA 1.456 63.526 62.100 -0.050 0.000 1.136 587 T CB -0.032 68.813 68.868 -0.038 0.000 0.874 587 T HN 0.198 nan 8.240 nan 0.000 0.466 588 Q N 1.182 120.947 119.800 -0.058 0.000 2.291 588 Q HA 0.032 4.372 4.340 -0.000 0.000 0.205 588 Q C 2.117 178.070 176.000 -0.078 0.000 0.970 588 Q CA 1.519 57.282 55.803 -0.067 0.000 0.876 588 Q CB -0.360 28.344 28.738 -0.057 0.000 0.935 588 Q HN 0.552 nan 8.270 nan 0.000 0.455 589 K N -0.832 119.524 120.400 -0.074 0.000 2.097 589 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 589 K C 1.581 178.127 176.600 -0.091 0.000 1.049 589 K CA 1.509 57.747 56.287 -0.081 0.000 0.933 589 K CB 0.091 32.550 32.500 -0.067 0.000 0.717 589 K HN 0.187 nan 8.250 nan 0.000 0.442 590 V N 1.292 121.152 119.914 -0.090 0.000 2.488 590 V HA -0.179 3.940 4.120 -0.000 0.000 0.246 590 V C 2.136 178.148 176.094 -0.136 0.000 1.046 590 V CA 1.133 63.369 62.300 -0.107 0.000 1.053 590 V CB -0.297 31.456 31.823 -0.116 0.000 0.679 590 V HN 0.217 nan 8.190 nan 0.000 0.458 591 L N 0.571 121.717 121.223 -0.128 0.000 2.376 591 L HA -0.043 4.297 4.340 -0.000 0.000 0.219 591 L C 2.218 179.019 176.870 -0.114 0.000 1.133 591 L CA 1.112 55.871 54.840 -0.134 0.000 0.816 591 L CB -0.664 41.326 42.059 -0.116 0.000 0.933 591 L HN 0.327 nan 8.230 nan 0.000 0.449 592 N N -0.293 118.339 118.700 -0.114 0.000 2.250 592 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 592 N C 1.662 177.088 175.510 -0.141 0.000 1.017 592 N CA 0.926 53.895 53.050 -0.134 0.000 0.866 592 N CB 0.077 38.460 38.487 -0.174 0.000 0.985 592 N HN 0.451 nan 8.380 nan 0.000 0.429 593 E N 0.308 120.444 120.200 -0.106 0.000 2.152 593 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 593 E C 1.793 178.426 176.600 0.056 0.000 0.983 593 E CA 0.522 56.906 56.400 -0.026 0.000 0.818 593 E CB 0.253 29.946 29.700 -0.012 0.000 0.758 593 E HN 0.060 nan 8.360 nan 0.000 0.467 594 V N 1.132 121.006 119.914 -0.067 0.000 2.488 594 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 594 V C 2.185 178.125 176.094 -0.256 0.000 1.046 594 V CA 1.925 64.110 62.300 -0.192 0.000 1.053 594 V CB -0.453 31.090 31.823 -0.466 0.000 0.679 594 V HN 0.319 nan 8.190 nan 0.000 0.458 595 T N -1.398 113.099 114.554 -0.095 0.000 2.962 595 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 595 T C 1.766 176.580 174.700 0.190 0.000 1.088 595 T CA 1.474 63.595 62.100 0.035 0.000 1.127 595 T CB -0.283 68.629 68.868 0.072 0.000 0.883 595 T HN 0.493 nan 8.240 nan 0.000 0.493 596 H N -0.698 118.374 119.070 0.004 0.000 2.448 596 H HA 0.186 4.742 4.556 -0.000 0.000 0.292 596 H C 1.703 177.087 175.328 0.094 0.000 1.035 596 H CA 0.320 56.393 56.048 0.042 0.000 1.349 596 H CB -0.353 29.427 29.762 0.029 0.000 1.425 596 H HN 0.432 nan 8.280 nan 0.000 0.539 597 Y N -0.406 119.979 120.300 0.142 0.000 2.274 597 Y HA -0.297 4.252 4.550 -0.000 0.000 0.290 597 Y C 1.274 177.336 175.900 0.270 0.000 1.145 597 Y CA 1.322 59.503 58.100 0.136 0.000 1.203 597 Y CB -0.056 38.465 38.460 0.101 0.000 0.984 597 Y HN 0.178 nan 8.280 nan 0.000 0.533 598 Y N -1.157 119.285 120.300 0.238 0.000 2.347 598 Y HA 0.007 4.557 4.550 -0.000 0.000 0.294 598 Y C 2.039 177.939 175.900 -0.001 0.000 1.117 598 Y CA 0.635 58.820 58.100 0.142 0.000 1.184 598 Y CB -0.707 37.860 38.460 0.179 0.000 1.047 598 Y HN 0.124 nan 8.280 nan 0.000 0.546 599 L N -1.646 119.641 121.223 0.107 0.000 2.416 599 L HA -0.001 4.338 4.340 -0.000 0.000 0.216 599 L C 2.211 179.003 176.870 -0.130 0.000 1.098 599 L CA 1.239 56.055 54.840 -0.041 0.000 0.840 599 L CB -0.041 41.958 42.059 -0.101 0.000 0.981 599 L HN 0.102 nan 8.230 nan 0.000 0.462 600 T N -1.503 112.952 114.554 -0.165 0.000 3.038 600 T HA 0.048 4.398 4.350 -0.000 0.000 0.244 600 T C 1.480 176.089 174.700 -0.152 0.000 1.016 600 T CA 0.365 62.359 62.100 -0.177 0.000 1.098 600 T CB 0.297 69.030 68.868 -0.225 0.000 0.954 600 T HN 0.023 nan 8.240 nan 0.000 0.469 601 K N 0.882 121.162 120.400 -0.200 0.000 2.437 601 K HA 0.259 4.579 4.320 -0.000 0.000 0.205 601 K C -0.173 176.260 176.600 -0.278 0.000 1.026 601 K CA 0.194 56.298 56.287 -0.305 0.000 1.153 601 K CB 0.527 32.679 32.500 -0.579 0.000 0.863 601 K HN 0.169 nan 8.250 nan 0.000 0.502 602 E N 0.064 120.180 120.200 -0.141 0.000 3.914 602 E HA 0.083 4.433 4.350 -0.000 0.000 0.241 602 E C -0.166 176.407 176.600 -0.044 0.000 1.127 602 E CA 0.090 56.446 56.400 -0.075 0.000 1.369 602 E CB 0.298 29.991 29.700 -0.012 0.000 1.231 602 E HN -0.045 nan 8.360 nan 0.000 0.396 603 K N -0.385 119.981 120.400 -0.056 0.000 2.031 603 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 603 K C 1.370 177.947 176.600 -0.038 0.000 1.049 603 K CA 1.247 57.507 56.287 -0.046 0.000 0.939 603 K CB 0.004 32.473 32.500 -0.052 0.000 0.717 603 K HN 0.113 nan 8.250 nan 0.000 0.438 604 N N 0.996 119.672 118.700 -0.040 0.000 2.096 604 N HA -0.218 4.521 4.740 -0.000 0.000 0.195 604 N C 1.180 176.669 175.510 -0.036 0.000 1.017 604 N CA 2.157 55.187 53.050 -0.034 0.000 0.870 604 N CB -0.168 38.299 38.487 -0.034 0.000 1.024 604 N HN 0.308 nan 8.380 nan 0.000 0.434 605 N N -1.066 117.608 118.700 -0.042 0.000 2.428 605 N HA 0.101 4.841 4.740 -0.000 0.000 0.181 605 N C -0.533 174.945 175.510 -0.052 0.000 1.028 605 N CA 0.029 53.048 53.050 -0.052 0.000 0.877 605 N CB 0.507 38.961 38.487 -0.055 0.000 1.064 605 N HN -0.123 nan 8.380 nan 0.000 0.434 606 V N 2.241 122.130 119.914 -0.042 0.000 2.455 606 V HA 0.040 4.159 4.120 -0.000 0.000 0.273 606 V C 1.048 177.127 176.094 -0.024 0.000 1.045 606 V CA 0.221 62.498 62.300 -0.038 0.000 0.976 606 V CB 1.290 33.096 31.823 -0.028 0.000 0.993 606 V HN 0.181 nan 8.190 nan 0.000 0.475 607 E N 3.550 123.739 120.200 -0.018 0.000 2.060 607 E HA -0.004 4.345 4.350 -0.000 0.000 0.189 607 E C 0.766 177.380 176.600 0.022 0.000 0.974 607 E CA 1.168 57.571 56.400 0.006 0.000 0.808 607 E CB 0.331 30.042 29.700 0.018 0.000 0.768 607 E HN 0.853 nan 8.360 nan 0.000 0.453 608 S N -1.010 114.715 115.700 0.042 0.000 2.582 608 S HA 0.480 4.949 4.470 -0.000 0.000 0.287 608 S C -0.383 174.287 174.600 0.117 0.000 1.146 608 S CA -0.617 57.614 58.200 0.051 0.000 0.941 608 S CB 0.673 64.010 63.200 0.229 0.000 1.115 608 S HN -0.088 nan 8.310 nan 0.000 0.458 609 V N 1.634 121.592 119.914 0.074 0.000 3.700 609 V HA 0.799 4.918 4.120 -0.000 0.000 0.277 609 V C -0.207 176.109 176.094 0.371 0.000 1.067 609 V CA -0.660 61.752 62.300 0.187 0.000 0.897 609 V CB 0.646 32.581 31.823 0.186 0.000 1.231 609 V HN 1.165 nan 8.190 nan 0.000 0.425 610 F N 0.213 120.245 119.950 0.136 0.000 3.366 610 F HA 0.580 5.107 4.527 -0.000 0.000 0.445 610 F C 0.034 175.804 175.800 -0.050 0.000 0.962 610 F CA -0.260 57.814 58.000 0.124 0.000 1.354 610 F CB -0.566 38.521 39.000 0.145 0.000 2.856 610 F HN 0.671 nan 8.300 nan 0.000 0.666 611 A N 1.663 124.353 122.820 -0.218 0.000 2.406 611 A HA 0.705 5.025 4.320 -0.000 0.000 0.243 611 A C -0.736 176.633 177.584 -0.359 0.000 1.082 611 A CA -0.086 51.817 52.037 -0.224 0.000 0.786 611 A CB 0.801 19.711 19.000 -0.149 0.000 1.029 611 A HN 0.697 nan 8.150 nan 0.000 0.495 612 V N 2.489 122.265 119.914 -0.229 0.000 2.624 612 V HA 0.206 4.325 4.120 -0.000 0.000 0.294 612 V C -0.336 175.715 176.094 -0.072 0.000 1.077 612 V CA -0.633 61.574 62.300 -0.154 0.000 0.905 612 V CB 1.576 33.334 31.823 -0.109 0.000 1.025 612 V HN 1.027 nan 8.190 nan 0.000 0.440 613 N N 3.489 122.159 118.700 -0.051 0.000 2.426 613 N HA 0.544 5.283 4.740 -0.000 0.000 0.257 613 N C 0.722 176.239 175.510 0.012 0.000 1.002 613 N CA 0.615 53.648 53.050 -0.027 0.000 0.942 613 N CB 1.203 39.666 38.487 -0.041 0.000 1.112 613 N HN 1.068 nan 8.380 nan 0.000 0.499 614 G N 3.407 112.229 108.800 0.037 0.000 2.141 614 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.164 614 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.164 614 G C -0.512 174.469 174.900 0.136 0.000 1.009 614 G CA -0.378 44.756 45.100 0.057 0.000 0.677 614 G HN 0.619 nan 8.290 nan 0.000 0.508 615 F N 0.968 120.884 119.950 -0.056 0.000 3.164 615 F HA 0.536 5.063 4.527 -0.000 0.000 0.375 615 F C 0.351 176.138 175.800 -0.022 0.000 1.257 615 F CA -0.468 57.490 58.000 -0.070 0.000 1.171 615 F CB 0.753 39.673 39.000 -0.133 0.000 1.588 615 F HN 0.277 nan 8.300 nan 0.000 0.604 616 G N 2.367 111.294 108.800 0.211 0.000 2.462 616 G HA2 0.263 4.223 3.960 -0.000 0.000 0.319 616 G HA3 0.263 4.223 3.960 -0.000 0.000 0.319 616 G C -0.451 174.506 174.900 0.096 0.000 1.171 616 G CA -0.455 44.700 45.100 0.091 0.000 0.920 616 G HN 0.645 nan 8.290 nan 0.000 0.499 617 F N 1.085 121.092 119.950 0.096 0.000 2.811 617 F HA 0.192 4.719 4.527 -0.000 0.000 0.301 617 F C 2.396 178.285 175.800 0.149 0.000 1.151 617 F CA 0.541 58.626 58.000 0.142 0.000 1.412 617 F CB 0.287 39.367 39.000 0.134 0.000 1.113 617 F HN 0.468 nan 8.300 nan 0.000 0.579 618 A N -0.428 122.566 122.820 0.289 0.000 1.840 618 A HA 0.339 4.659 4.320 -0.000 0.000 0.214 618 A C 2.020 179.719 177.584 0.192 0.000 1.198 618 A CA 1.848 54.011 52.037 0.211 0.000 0.608 618 A CB -0.960 18.135 19.000 0.158 0.000 0.839 618 A HN 0.421 nan 8.150 nan 0.000 0.443 619 G N -1.879 107.031 108.800 0.183 0.000 3.504 619 G HA2 0.473 4.433 3.960 -0.000 0.000 0.157 619 G HA3 0.473 4.433 3.960 -0.000 0.000 0.157 619 G C -0.326 174.675 174.900 0.169 0.000 1.245 619 G CA 0.175 45.367 45.100 0.154 0.000 1.410 619 G HN 0.732 nan 8.290 nan 0.000 0.731 620 R N -1.590 118.976 120.500 0.110 0.000 2.826 620 R HA 0.710 5.050 4.340 -0.000 0.000 0.269 620 R C -0.273 176.065 176.300 0.063 0.000 1.031 620 R CA -0.351 55.806 56.100 0.095 0.000 0.900 620 R CB 0.886 31.186 30.300 0.001 0.000 1.318 620 R HN 2.074 nan 8.270 nan 0.000 0.447 621 G N -0.446 108.383 108.800 0.047 0.000 2.357 621 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.643 621 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.643 621 G C -0.418 174.503 174.900 0.035 0.000 1.358 621 G CA -0.496 44.626 45.100 0.036 0.000 0.986 621 G HN 0.535 nan 8.290 nan 0.000 0.620 622 Q N -0.147 119.669 119.800 0.027 0.000 2.436 622 Q HA -0.041 4.299 4.340 -0.000 0.000 0.209 622 Q C 1.935 177.943 176.000 0.014 0.000 0.965 622 Q CA 1.159 56.973 55.803 0.018 0.000 0.910 622 Q CB 0.010 28.756 28.738 0.013 0.000 0.980 622 Q HN 0.480 nan 8.270 nan 0.000 0.491 623 N N 1.274 119.987 118.700 0.022 0.000 2.106 623 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 623 N C 1.119 176.634 175.510 0.009 0.000 1.029 623 N CA 1.532 54.592 53.050 0.016 0.000 0.848 623 N CB -0.489 38.015 38.487 0.028 0.000 1.007 623 N HN 0.380 nan 8.380 nan 0.000 0.423 624 T N -2.192 112.378 114.554 0.027 0.000 2.754 624 T HA 0.648 4.998 4.350 -0.000 0.000 0.286 624 T C 0.628 175.336 174.700 0.014 0.000 0.997 624 T CA -0.279 61.841 62.100 0.033 0.000 0.982 624 T CB 1.451 70.366 68.868 0.078 0.000 1.027 624 T HN 0.252 nan 8.240 nan 0.000 0.529 625 G N -0.749 108.053 108.800 0.005 0.000 2.548 625 G HA2 0.592 4.552 3.960 -0.000 0.000 0.301 625 G HA3 0.592 4.552 3.960 -0.000 0.000 0.301 625 G C -1.914 172.972 174.900 -0.024 0.000 1.349 625 G CA -0.622 44.465 45.100 -0.022 0.000 0.792 625 G HN 1.147 nan 8.290 nan 0.000 0.481 626 I N -0.939 119.606 120.570 -0.040 0.000 2.661 626 I HA 0.603 4.773 4.170 -0.000 0.000 0.290 626 I C -1.183 174.936 176.117 0.004 0.000 1.734 626 I CA -0.148 61.167 61.300 0.025 0.000 1.018 626 I CB 1.658 39.709 38.000 0.085 0.000 1.532 626 I HN 1.397 nan 8.210 nan 0.000 0.488 627 A N 6.884 129.759 122.820 0.091 0.000 2.319 627 A HA 0.771 5.091 4.320 -0.000 0.000 0.310 627 A C -1.420 176.369 177.584 0.342 0.000 1.152 627 A CA -0.347 51.759 52.037 0.116 0.000 0.783 627 A CB 0.451 19.483 19.000 0.052 0.000 1.184 627 A HN 0.422 nan 8.150 nan 0.000 0.474 628 F N 2.977 123.030 119.950 0.171 0.000 2.438 628 F HA 0.332 4.858 4.527 -0.000 0.000 0.360 628 F C 0.495 176.318 175.800 0.038 0.000 1.118 628 F CA -0.896 57.202 58.000 0.165 0.000 1.164 628 F CB 0.628 39.823 39.000 0.325 0.000 1.131 628 F HN 0.269 nan 8.300 nan 0.000 0.527 629 V N 2.364 122.219 119.914 -0.099 0.000 2.732 629 V HA 0.410 4.530 4.120 -0.000 0.000 0.297 629 V C 0.328 176.314 176.094 -0.180 0.000 1.060 629 V CA -0.486 61.642 62.300 -0.286 0.000 1.038 629 V CB 1.649 32.889 31.823 -0.971 0.000 1.003 629 V HN 0.740 nan 8.190 nan 0.000 0.481 630 S N 3.933 119.589 115.700 -0.073 0.000 2.652 630 S HA 0.554 5.024 4.470 -0.000 0.000 0.252 630 S C -0.683 173.886 174.600 -0.051 0.000 1.219 630 S CA -0.590 57.588 58.200 -0.037 0.000 1.151 630 S CB 0.045 63.289 63.200 0.073 0.000 1.080 630 S HN 0.548 nan 8.310 nan 0.000 0.481 631 L N 3.071 124.235 121.223 -0.098 0.000 2.464 631 L HA 0.425 4.764 4.340 -0.000 0.000 0.264 631 L C 1.045 177.829 176.870 -0.144 0.000 1.199 631 L CA -0.631 54.141 54.840 -0.114 0.000 0.818 631 L CB 0.353 42.323 42.059 -0.149 0.000 1.102 631 L HN 0.384 nan 8.230 nan 0.000 0.473 632 K N 1.595 121.923 120.400 -0.121 0.000 2.230 632 K HA 0.016 4.336 4.320 -0.000 0.000 0.253 632 K C -0.298 176.193 176.600 -0.181 0.000 1.008 632 K CA -0.216 56.011 56.287 -0.100 0.000 0.910 632 K CB 0.437 32.903 32.500 -0.057 0.000 0.994 632 K HN 0.703 nan 8.250 nan 0.000 0.495 633 D N 0.152 120.490 120.400 -0.104 0.000 2.346 633 D HA -0.140 4.499 4.640 -0.000 0.000 0.236 633 D C 0.746 177.024 176.300 -0.036 0.000 1.259 633 D CA 0.230 54.182 54.000 -0.081 0.000 0.898 633 D CB 0.277 41.139 40.800 0.105 0.000 1.178 633 D HN 0.445 nan 8.370 nan 0.000 0.457 634 W N 0.067 121.392 121.300 0.042 0.000 2.576 634 W HA 0.286 4.945 4.660 -0.000 0.000 0.270 634 W C 2.467 179.005 176.519 0.031 0.000 1.255 634 W CA 0.609 57.979 57.345 0.042 0.000 1.314 634 W CB -0.944 28.554 29.460 0.062 0.000 1.101 634 W HN 0.588 nan 8.180 nan 0.000 0.595 635 A N 0.799 123.771 122.820 0.253 0.000 1.832 635 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 635 A C 1.783 179.424 177.584 0.095 0.000 1.200 635 A CA 1.804 53.928 52.037 0.146 0.000 0.610 635 A CB -1.041 18.028 19.000 0.115 0.000 0.842 635 A HN 0.172 nan 8.150 nan 0.000 0.444 636 D N -0.825 119.620 120.400 0.074 0.000 2.315 636 D HA -0.132 4.508 4.640 -0.000 0.000 0.211 636 D C 1.026 177.342 176.300 0.028 0.000 0.977 636 D CA 0.899 54.923 54.000 0.041 0.000 0.894 636 D CB -0.030 40.786 40.800 0.027 0.000 0.910 636 D HN 0.287 nan 8.370 nan 0.000 0.490 637 R N 0.633 121.156 120.500 0.038 0.000 2.790 637 R HA 0.125 4.465 4.340 -0.000 0.000 0.274 637 R C -1.819 174.510 176.300 0.049 0.000 1.334 637 R CA -1.304 54.807 56.100 0.017 0.000 1.543 637 R CB 1.162 31.445 30.300 -0.028 0.000 1.154 637 R HN -0.006 nan 8.270 nan 0.000 0.601 638 P HA 0.064 nan 4.420 nan 0.000 0.214 638 P C 0.791 178.118 177.300 0.044 0.000 1.152 638 P CA 0.534 63.666 63.100 0.053 0.000 0.874 638 P CB 0.120 31.843 31.700 0.039 0.000 0.782 639 G N 0.263 109.077 108.800 0.024 0.000 2.683 639 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.260 639 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.260 639 G C 0.843 175.752 174.900 0.016 0.000 1.238 639 G CA -0.198 44.912 45.100 0.016 0.000 0.934 639 G HN 0.093 nan 8.290 nan 0.000 0.534 640 E N -0.449 119.756 120.200 0.009 0.000 2.274 640 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 640 E C 2.048 178.642 176.600 -0.010 0.000 0.996 640 E CA 0.640 57.043 56.400 0.004 0.000 0.840 640 E CB 0.220 29.921 29.700 0.000 0.000 0.772 640 E HN 0.510 nan 8.360 nan 0.000 0.491 641 E N 0.361 120.553 120.200 -0.014 0.000 2.076 641 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 641 E C 1.649 178.228 176.600 -0.034 0.000 0.979 641 E CA 0.535 56.921 56.400 -0.023 0.000 0.807 641 E CB -0.689 29.000 29.700 -0.018 0.000 0.761 641 E HN 0.198 nan 8.360 nan 0.000 0.454 642 N N 0.925 119.609 118.700 -0.026 0.000 2.430 642 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 642 N C 0.735 176.215 175.510 -0.050 0.000 1.032 642 N CA 0.761 53.791 53.050 -0.034 0.000 0.893 642 N CB 0.073 38.551 38.487 -0.015 0.000 0.957 642 N HN 0.019 nan 8.380 nan 0.000 0.442 643 K N 0.607 120.983 120.400 -0.039 0.000 2.098 643 K HA 0.147 4.467 4.320 -0.000 0.000 0.261 643 K C 0.922 177.461 176.600 -0.102 0.000 0.987 643 K CA -0.180 56.084 56.287 -0.040 0.000 0.916 643 K CB 1.385 33.895 32.500 0.017 0.000 1.039 643 K HN -0.232 nan 8.250 nan 0.000 0.455 644 V N 2.653 122.483 119.914 -0.140 0.000 2.568 644 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 644 V C 2.270 178.228 176.094 -0.226 0.000 1.072 644 V CA 2.290 64.431 62.300 -0.264 0.000 1.084 644 V CB -0.789 30.878 31.823 -0.260 0.000 0.676 644 V HN 0.861 nan 8.190 nan 0.000 0.469 645 E N 1.534 121.665 120.200 -0.115 0.000 2.038 645 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 645 E C 2.073 178.618 176.600 -0.092 0.000 1.000 645 E CA 2.129 58.481 56.400 -0.081 0.000 0.803 645 E CB -0.543 29.137 29.700 -0.035 0.000 0.750 645 E HN 0.517 nan 8.360 nan 0.000 0.448 646 A N 0.043 122.812 122.820 -0.086 0.000 2.067 646 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 646 A C 2.308 179.835 177.584 -0.095 0.000 1.156 646 A CA 0.906 52.900 52.037 -0.072 0.000 0.683 646 A CB -0.455 18.516 19.000 -0.048 0.000 0.808 646 A HN 0.364 nan 8.150 nan 0.000 0.455 647 I N 0.255 120.722 120.570 -0.171 0.000 2.286 647 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 647 I C 2.086 178.065 176.117 -0.230 0.000 1.104 647 I CA 1.677 62.847 61.300 -0.215 0.000 1.397 647 I CB -0.410 37.371 38.000 -0.365 0.000 1.072 647 I HN 0.444 nan 8.210 nan 0.000 0.417 648 T N -2.005 112.364 114.554 -0.308 0.000 3.366 648 T HA 0.170 4.520 4.350 -0.000 0.000 0.249 648 T C 1.211 175.882 174.700 -0.049 0.000 1.028 648 T CA 0.059 62.056 62.100 -0.173 0.000 0.938 648 T CB 0.253 69.000 68.868 -0.202 0.000 1.046 648 T HN 0.071 nan 8.240 nan 0.000 0.587 649 M N 1.574 121.142 119.600 -0.053 0.000 3.101 649 M HA 0.263 4.742 4.480 -0.000 0.000 0.236 649 M C 2.355 178.636 176.300 -0.033 0.000 1.538 649 M CA 0.844 56.126 55.300 -0.030 0.000 1.309 649 M CB -0.131 32.449 32.600 -0.033 0.000 1.141 649 M HN 0.384 nan 8.290 nan 0.000 0.579 650 R N 0.302 120.789 120.500 -0.022 0.000 2.235 650 R HA 0.203 4.543 4.340 -0.000 0.000 0.213 650 R C 1.871 178.086 176.300 -0.142 0.000 1.059 650 R CA 1.229 57.321 56.100 -0.014 0.000 0.997 650 R CB -0.754 29.591 30.300 0.075 0.000 0.884 650 R HN 0.237 nan 8.270 nan 0.000 0.462 651 A N 1.810 124.526 122.820 -0.172 0.000 1.854 651 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 651 A C 2.358 179.541 177.584 -0.668 0.000 1.192 651 A CA 1.778 53.492 52.037 -0.538 0.000 0.611 651 A CB -1.200 17.824 19.000 0.040 0.000 0.832 651 A HN 0.522 nan 8.150 nan 0.000 0.442 652 T N -0.930 113.557 114.554 -0.112 0.000 2.803 652 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 652 T C 1.924 176.611 174.700 -0.022 0.000 1.052 652 T CA 1.526 63.682 62.100 0.093 0.000 1.136 652 T CB -0.429 68.534 68.868 0.158 0.000 0.864 652 T HN 0.632 nan 8.240 nan 0.000 0.467 653 R N 1.735 122.164 120.500 -0.119 0.000 2.115 653 R HA 0.193 4.533 4.340 -0.000 0.000 0.226 653 R C 2.548 178.759 176.300 -0.148 0.000 1.100 653 R CA 1.159 57.207 56.100 -0.086 0.000 0.980 653 R CB -0.636 29.629 30.300 -0.059 0.000 0.875 653 R HN 0.430 nan 8.270 nan 0.000 0.445 654 A N 0.296 122.894 122.820 -0.371 0.000 2.016 654 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 654 A C 1.507 178.907 177.584 -0.307 0.000 1.162 654 A CA 0.525 52.318 52.037 -0.405 0.000 0.662 654 A CB -0.318 18.247 19.000 -0.724 0.000 0.812 654 A HN 0.369 nan 8.150 nan 0.000 0.450 655 F N 0.821 120.693 119.950 -0.131 0.000 2.615 655 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 655 F C 2.274 178.057 175.800 -0.028 0.000 1.124 655 F CA 0.786 58.734 58.000 -0.086 0.000 1.451 655 F CB -0.354 38.596 39.000 -0.083 0.000 1.103 655 F HN 0.276 nan 8.300 nan 0.000 0.569 656 S N -1.552 114.228 115.700 0.134 0.000 2.614 656 S HA 0.154 4.624 4.470 -0.000 0.000 0.230 656 S C 1.288 175.921 174.600 0.056 0.000 0.952 656 S CA -0.201 58.061 58.200 0.104 0.000 0.949 656 S CB 0.192 63.459 63.200 0.112 0.000 0.786 656 S HN 0.296 nan 8.310 nan 0.000 0.478 657 Q N 0.870 120.694 119.800 0.040 0.000 2.589 657 Q HA 0.366 4.706 4.340 -0.000 0.000 0.216 657 Q C 1.275 177.294 176.000 0.031 0.000 0.774 657 Q CA 0.777 56.594 55.803 0.024 0.000 0.909 657 Q CB 0.314 29.053 28.738 0.002 0.000 1.283 657 Q HN 0.767 nan 8.270 nan 0.000 0.597 658 I N -1.356 119.237 120.570 0.039 0.000 3.856 658 I HA 0.421 4.591 4.170 -0.000 0.000 0.333 658 I C -0.043 176.105 176.117 0.051 0.000 1.525 658 I CA -0.183 61.143 61.300 0.044 0.000 1.173 658 I CB 0.398 38.429 38.000 0.053 0.000 1.175 658 I HN -0.194 nan 8.210 nan 0.000 0.424 659 K N 1.262 121.693 120.400 0.052 0.000 2.409 659 K HA 0.400 4.719 4.320 -0.000 0.000 0.252 659 K C -0.285 176.329 176.600 0.024 0.000 1.036 659 K CA -0.444 55.868 56.287 0.041 0.000 0.871 659 K CB 1.650 34.186 32.500 0.059 0.000 1.374 659 K HN 0.241 nan 8.250 nan 0.000 0.459 660 D N -0.771 119.633 120.400 0.007 0.000 2.556 660 D HA 0.213 4.853 4.640 -0.000 0.000 0.237 660 D C 0.019 176.314 176.300 -0.007 0.000 1.296 660 D CA -0.187 53.815 54.000 0.003 0.000 0.807 660 D CB 0.862 41.661 40.800 -0.001 0.000 1.084 660 D HN 0.340 nan 8.370 nan 0.000 0.510 661 A N 0.597 123.404 122.820 -0.021 0.000 3.837 661 A HA 0.819 5.139 4.320 -0.000 0.000 0.159 661 A C -0.716 176.832 177.584 -0.061 0.000 1.157 661 A CA -0.627 51.384 52.037 -0.043 0.000 0.890 661 A CB 0.989 19.949 19.000 -0.067 0.000 1.553 661 A HN 0.091 nan 8.150 nan 0.000 0.642 662 M N 0.921 120.443 119.600 -0.131 0.000 2.067 662 M HA 0.468 4.948 4.480 -0.000 0.000 0.286 662 M C -1.712 174.314 176.300 -0.456 0.000 0.922 662 M CA -0.128 55.028 55.300 -0.241 0.000 0.937 662 M CB 1.953 34.420 32.600 -0.221 0.000 1.550 662 M HN 0.291 nan 8.290 nan 0.000 0.433 663 V N 3.450 123.102 119.914 -0.437 0.000 2.656 663 V HA 0.627 4.746 4.120 -0.000 0.000 0.307 663 V C -0.744 175.197 176.094 -0.254 0.000 1.051 663 V CA -0.591 61.417 62.300 -0.487 0.000 0.893 663 V CB 1.822 33.318 31.823 -0.545 0.000 0.999 663 V HN 0.654 nan 8.190 nan 0.000 0.426 664 F N 1.240 121.257 119.950 0.111 0.000 3.084 664 F HA 0.982 5.508 4.527 -0.000 0.000 0.232 664 F C 0.572 176.533 175.800 0.268 0.000 1.511 664 F CA -0.644 57.496 58.000 0.233 0.000 0.942 664 F CB 0.158 39.324 39.000 0.277 0.000 1.935 664 F HN 0.748 nan 8.300 nan 0.000 0.403 665 A N -0.043 123.091 122.820 0.523 0.000 2.290 665 A HA 0.495 4.815 4.320 -0.000 0.000 0.274 665 A C -1.910 175.830 177.584 0.261 0.000 0.892 665 A CA -0.795 51.390 52.037 0.246 0.000 0.688 665 A CB -0.839 18.414 19.000 0.422 0.000 0.951 665 A HN 1.067 nan 8.150 nan 0.000 0.344 666 F N 0.697 120.813 119.950 0.277 0.000 2.688 666 F HA 0.623 5.150 4.527 -0.001 0.000 0.308 666 F C -0.076 175.789 175.800 0.107 0.000 1.117 666 F CA -0.870 57.208 58.000 0.130 0.000 0.976 666 F CB 0.918 39.980 39.000 0.103 0.000 1.291 666 F HN 0.704 nan 8.300 nan 0.000 0.439 667 N N 2.966 121.789 118.700 0.206 0.000 2.412 667 N HA 0.051 4.790 4.740 -0.000 0.000 0.258 667 N C -0.700 174.967 175.510 0.261 0.000 1.236 667 N CA -0.188 52.945 53.050 0.138 0.000 0.882 667 N CB 1.162 39.687 38.487 0.063 0.000 1.066 667 N HN 0.826 nan 8.380 nan 0.000 0.465 668 L N 2.347 123.686 121.223 0.194 0.000 2.530 668 L HA 0.148 4.487 4.340 -0.000 0.000 0.273 668 L C -1.815 175.114 176.870 0.098 0.000 1.141 668 L CA -1.698 53.252 54.840 0.185 0.000 0.905 668 L CB -0.233 41.878 42.059 0.087 0.000 1.202 668 L HN 0.329 nan 8.230 nan 0.000 0.473 669 P HA -0.055 nan 4.420 nan 0.000 0.254 669 P C 0.524 177.831 177.300 0.011 0.000 1.186 669 P CA 0.195 63.306 63.100 0.019 0.000 0.868 669 P CB 0.906 32.584 31.700 -0.037 0.000 0.856 670 A N 5.778 128.626 122.820 0.047 0.000 1.940 670 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 670 A C 1.220 178.722 177.584 -0.137 0.000 1.176 670 A CA 0.820 52.901 52.037 0.074 0.000 0.631 670 A CB -1.323 17.808 19.000 0.218 0.000 0.814 670 A HN 0.637 nan 8.150 nan 0.000 0.446 671 I N -1.908 118.601 120.570 -0.101 0.000 3.696 671 I HA 0.060 4.229 4.170 -0.000 0.000 0.225 671 I C 0.518 176.523 176.117 -0.186 0.000 1.383 671 I CA -0.707 60.508 61.300 -0.142 0.000 1.099 671 I CB -0.391 37.610 38.000 0.003 0.000 1.489 671 I HN -0.030 nan 8.210 nan 0.000 0.798 672 V N 1.358 121.177 119.914 -0.158 0.000 2.811 672 V HA -0.038 4.082 4.120 -0.000 0.000 0.302 672 V C 1.513 177.539 176.094 -0.113 0.000 1.063 672 V CA 0.261 62.480 62.300 -0.134 0.000 1.088 672 V CB 0.815 32.567 31.823 -0.118 0.000 0.982 672 V HN 0.922 nan 8.190 nan 0.000 0.485 673 E N 2.603 122.745 120.200 -0.097 0.000 2.136 673 E HA -0.228 4.121 4.350 -0.000 0.000 0.208 673 E C 0.673 177.220 176.600 -0.089 0.000 1.035 673 E CA 1.947 58.291 56.400 -0.094 0.000 0.838 673 E CB -0.348 29.307 29.700 -0.074 0.000 0.748 673 E HN 0.637 nan 8.360 nan 0.000 0.459 674 L N -3.316 117.856 121.223 -0.085 0.000 2.439 674 L HA 0.621 4.961 4.340 -0.000 0.000 0.259 674 L C 0.853 177.626 176.870 -0.162 0.000 1.129 674 L CA -0.133 54.653 54.840 -0.089 0.000 0.803 674 L CB 1.077 43.100 42.059 -0.059 0.000 1.161 674 L HN 0.147 nan 8.230 nan 0.000 0.462 675 G N 0.228 108.929 108.800 -0.165 0.000 2.473 675 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.289 675 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.289 675 G C 0.469 175.251 174.900 -0.197 0.000 1.084 675 G CA 0.318 45.265 45.100 -0.255 0.000 1.215 675 G HN 1.294 nan 8.290 nan 0.000 0.527 676 T N -1.728 112.761 114.554 -0.108 0.000 3.014 676 T HA 0.549 4.898 4.350 -0.000 0.000 0.263 676 T C 1.471 176.151 174.700 -0.033 0.000 1.078 676 T CA 1.447 63.508 62.100 -0.065 0.000 1.135 676 T CB 0.084 68.914 68.868 -0.064 0.000 0.895 676 T HN 2.547 nan 8.240 nan 0.000 0.480 677 A N 1.434 124.231 122.820 -0.040 0.000 2.435 677 A HA 0.269 4.588 4.320 -0.000 0.000 0.686 677 A C 0.851 178.428 177.584 -0.011 0.000 0.138 677 A CA 0.732 52.763 52.037 -0.010 0.000 0.025 677 A CB -2.372 16.651 19.000 0.038 0.000 3.974 677 A HN 2.284 nan 8.150 nan 0.000 0.548 678 T N -1.274 113.274 114.554 -0.011 0.000 3.882 678 T HA 0.317 4.667 4.350 -0.000 0.000 0.366 678 T C 1.333 176.018 174.700 -0.025 0.000 0.760 678 T CA 2.174 64.265 62.100 -0.015 0.000 1.931 678 T CB -2.244 66.611 68.868 -0.021 0.000 1.807 678 T HN 3.106 nan 8.240 nan 0.000 0.790 679 G N 0.264 109.060 108.800 -0.007 0.000 2.677 679 G HA2 0.705 4.664 3.960 -0.000 0.000 0.291 679 G HA3 0.705 4.664 3.960 -0.000 0.000 0.291 679 G C -0.992 173.964 174.900 0.093 0.000 1.435 679 G CA -0.533 44.550 45.100 -0.027 0.000 0.826 679 G HN 1.203 nan 8.290 nan 0.000 0.491 680 F N -0.420 119.545 119.950 0.024 0.000 2.639 680 F HA 0.901 5.428 4.527 -0.001 0.000 0.339 680 F C -1.294 174.594 175.800 0.147 0.000 1.071 680 F CA -2.129 55.937 58.000 0.109 0.000 0.994 680 F CB 2.649 41.767 39.000 0.197 0.000 1.341 680 F HN 0.355 nan 8.300 nan 0.000 0.498 681 D N 1.779 122.631 120.400 0.754 0.000 2.411 681 D HA 0.176 4.816 4.640 -0.000 0.000 0.239 681 D C -1.728 174.868 176.300 0.494 0.000 1.307 681 D CA -0.073 54.229 54.000 0.504 0.000 0.930 681 D CB 0.432 41.376 40.800 0.239 0.000 1.395 681 D HN 0.409 nan 8.370 nan 0.000 0.536 682 F N 1.724 121.804 119.950 0.218 0.000 2.370 682 F HA 0.596 5.123 4.527 -0.000 0.000 0.319 682 F C 0.137 175.737 175.800 -0.334 0.000 1.129 682 F CA -0.320 57.416 58.000 -0.439 0.000 1.109 682 F CB 1.168 39.791 39.000 -0.629 0.000 1.262 682 F HN 0.177 nan 8.300 nan 0.000 0.534 683 E N 2.345 121.810 120.200 -1.225 0.000 2.335 683 E HA 0.414 4.764 4.350 -0.000 0.000 0.280 683 E C -2.233 173.785 176.600 -0.971 0.000 0.918 683 E CA -0.781 55.102 56.400 -0.860 0.000 0.765 683 E CB 1.528 30.718 29.700 -0.850 0.000 1.218 683 E HN 0.537 nan 8.360 nan 0.000 0.425 684 L N 5.978 126.905 121.223 -0.493 0.000 2.297 684 L HA 0.550 4.890 4.340 -0.000 0.000 0.277 684 L C -1.440 175.323 176.870 -0.179 0.000 1.040 684 L CA -0.133 54.533 54.840 -0.290 0.000 0.867 684 L CB 0.394 42.402 42.059 -0.085 0.000 1.244 684 L HN 0.603 nan 8.230 nan 0.000 0.433 685 I N 3.337 123.799 120.570 -0.180 0.000 2.519 685 I HA 0.167 4.337 4.170 -0.000 0.000 0.287 685 I C -0.101 175.989 176.117 -0.046 0.000 1.047 685 I CA -0.266 60.976 61.300 -0.097 0.000 1.381 685 I CB 1.241 39.180 38.000 -0.102 0.000 1.417 685 I HN 0.634 nan 8.210 nan 0.000 0.540 686 D N 4.681 125.071 120.400 -0.018 0.000 2.396 686 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 686 D C 0.431 176.728 176.300 -0.006 0.000 1.121 686 D CA -0.282 53.715 54.000 -0.004 0.000 0.853 686 D CB 1.277 42.084 40.800 0.011 0.000 1.043 686 D HN 0.369 nan 8.370 nan 0.000 0.500 687 Q N 3.016 122.809 119.800 -0.013 0.000 2.123 687 Q HA 0.255 4.595 4.340 -0.000 0.000 0.196 687 Q C 0.779 176.774 176.000 -0.008 0.000 0.958 687 Q CA 0.795 56.588 55.803 -0.015 0.000 0.841 687 Q CB 0.111 28.833 28.738 -0.026 0.000 0.915 687 Q HN 0.652 nan 8.270 nan 0.000 0.455 688 A N -0.877 121.940 122.820 -0.004 0.000 2.296 688 A HA 0.491 4.811 4.320 -0.000 0.000 0.276 688 A C 1.065 178.650 177.584 0.002 0.000 1.356 688 A CA 0.101 52.137 52.037 -0.001 0.000 0.825 688 A CB -0.521 18.479 19.000 -0.000 0.000 1.308 688 A HN 0.409 nan 8.150 nan 0.000 0.515 689 G N -0.734 108.068 108.800 0.003 0.000 3.332 689 G HA2 0.410 4.370 3.960 -0.000 0.000 0.242 689 G HA3 0.410 4.370 3.960 -0.000 0.000 0.242 689 G C 0.298 175.204 174.900 0.009 0.000 1.276 689 G CA -0.242 44.861 45.100 0.006 0.000 0.988 689 G HN 0.450 nan 8.290 nan 0.000 0.517 690 L N -0.390 120.839 121.223 0.009 0.000 2.476 690 L HA 0.627 4.966 4.340 -0.000 0.000 0.255 690 L C 1.146 178.029 176.870 0.021 0.000 1.218 690 L CA -0.582 54.265 54.840 0.011 0.000 0.819 690 L CB 0.310 42.373 42.059 0.006 0.000 1.119 690 L HN 0.096 nan 8.230 nan 0.000 0.485 691 G N -2.428 106.387 108.800 0.024 0.000 2.667 691 G HA2 0.270 4.230 3.960 -0.000 0.000 0.310 691 G HA3 0.270 4.230 3.960 -0.000 0.000 0.310 691 G C 0.204 175.143 174.900 0.064 0.000 1.259 691 G CA -0.342 44.788 45.100 0.050 0.000 1.019 691 G HN 0.780 nan 8.290 nan 0.000 0.496 692 H N -0.663 118.413 119.070 0.011 0.000 2.426 692 H HA -0.140 4.415 4.556 -0.001 0.000 0.298 692 H C 2.074 177.409 175.328 0.010 0.000 1.107 692 H CA 2.704 58.759 56.048 0.012 0.000 1.298 692 H CB 0.239 30.012 29.762 0.017 0.000 1.377 692 H HN 0.650 nan 8.280 nan 0.000 0.519 693 E N 0.424 120.493 120.200 -0.218 0.000 2.076 693 E HA -0.075 4.274 4.350 -0.000 0.000 0.190 693 E C 2.002 178.503 176.600 -0.165 0.000 0.979 693 E CA 0.812 57.054 56.400 -0.263 0.000 0.807 693 E CB 0.017 29.657 29.700 -0.100 0.000 0.761 693 E HN 0.518 nan 8.360 nan 0.000 0.454 694 K N 1.097 121.444 120.400 -0.087 0.000 2.103 694 K HA -0.026 4.293 4.320 -0.000 0.000 0.204 694 K C 2.323 178.889 176.600 -0.055 0.000 1.052 694 K CA 0.600 56.854 56.287 -0.054 0.000 0.945 694 K CB -0.131 32.354 32.500 -0.024 0.000 0.722 694 K HN 0.099 nan 8.250 nan 0.000 0.443 695 L N 1.451 122.640 121.223 -0.057 0.000 2.083 695 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 695 L C 2.040 178.877 176.870 -0.055 0.000 1.083 695 L CA 1.356 56.175 54.840 -0.035 0.000 0.752 695 L CB -0.405 41.655 42.059 0.002 0.000 0.899 695 L HN 0.220 nan 8.230 nan 0.000 0.433 696 T N -1.199 113.279 114.554 -0.127 0.000 2.746 696 T HA -0.273 4.076 4.350 -0.000 0.000 0.267 696 T C 1.704 176.359 174.700 -0.075 0.000 1.039 696 T CA 1.558 63.584 62.100 -0.123 0.000 1.142 696 T CB -0.138 68.593 68.868 -0.230 0.000 0.866 696 T HN 0.267 nan 8.240 nan 0.000 0.444 697 Q N 1.038 120.794 119.800 -0.073 0.000 2.167 697 Q HA 0.129 4.469 4.340 -0.000 0.000 0.202 697 Q C 2.241 178.225 176.000 -0.027 0.000 0.970 697 Q CA 1.445 57.220 55.803 -0.047 0.000 0.855 697 Q CB -0.586 28.127 28.738 -0.043 0.000 0.911 697 Q HN 0.522 nan 8.270 nan 0.000 0.438 698 A N 0.877 123.684 122.820 -0.022 0.000 1.930 698 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 698 A C 2.070 179.656 177.584 0.003 0.000 1.175 698 A CA 1.578 53.612 52.037 -0.005 0.000 0.627 698 A CB -0.644 18.356 19.000 0.001 0.000 0.815 698 A HN 0.459 nan 8.150 nan 0.000 0.443 699 R N -0.103 120.398 120.500 0.002 0.000 2.153 699 R HA -0.028 4.311 4.340 -0.000 0.000 0.218 699 R C 1.236 177.539 176.300 0.004 0.000 1.072 699 R CA 1.633 57.741 56.100 0.014 0.000 0.990 699 R CB -0.591 29.721 30.300 0.020 0.000 0.889 699 R HN 0.555 nan 8.270 nan 0.000 0.452 700 N N 0.536 119.231 118.700 -0.008 0.000 2.331 700 N HA -0.146 4.594 4.740 -0.000 0.000 0.180 700 N C 1.739 177.244 175.510 -0.008 0.000 1.019 700 N CA 0.970 54.013 53.050 -0.011 0.000 0.881 700 N CB 0.081 38.555 38.487 -0.023 0.000 0.972 700 N HN 0.375 nan 8.380 nan 0.000 0.435 701 Q N 0.287 120.083 119.800 -0.006 0.000 2.302 701 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 701 Q C 1.939 177.936 176.000 -0.005 0.000 0.936 701 Q CA 0.332 56.133 55.803 -0.003 0.000 0.886 701 Q CB 0.266 29.003 28.738 -0.002 0.000 0.986 701 Q HN 0.409 nan 8.270 nan 0.000 0.487 702 L N -0.053 121.166 121.223 -0.007 0.000 2.068 702 L HA -0.059 4.280 4.340 -0.000 0.000 0.204 702 L C 1.865 178.715 176.870 -0.033 0.000 1.076 702 L CA 0.993 55.818 54.840 -0.025 0.000 0.753 702 L CB -0.056 41.994 42.059 -0.014 0.000 0.910 702 L HN 0.238 nan 8.230 nan 0.000 0.439 703 L N -0.094 121.120 121.223 -0.015 0.000 2.275 703 L HA -0.084 4.255 4.340 -0.000 0.000 0.215 703 L C 2.670 179.530 176.870 -0.017 0.000 1.119 703 L CA 0.814 55.645 54.840 -0.014 0.000 0.790 703 L CB -0.725 41.334 42.059 -0.000 0.000 0.919 703 L HN 0.365 nan 8.230 nan 0.000 0.443 704 A N -0.653 122.161 122.820 -0.011 0.000 1.930 704 A HA -0.091 4.228 4.320 -0.000 0.000 0.215 704 A C 2.219 179.805 177.584 0.003 0.000 1.176 704 A CA 0.838 52.873 52.037 -0.004 0.000 0.632 704 A CB -0.152 18.848 19.000 0.001 0.000 0.819 704 A HN 0.219 nan 8.150 nan 0.000 0.445 705 E N 0.158 120.362 120.200 0.006 0.000 2.152 705 E HA -0.045 4.304 4.350 -0.000 0.000 0.192 705 E C 2.231 178.815 176.600 -0.027 0.000 0.983 705 E CA 1.082 57.508 56.400 0.044 0.000 0.818 705 E CB -0.405 29.328 29.700 0.055 0.000 0.758 705 E HN 0.549 nan 8.360 nan 0.000 0.467 706 A N 1.084 123.848 122.820 -0.093 0.000 1.897 706 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 706 A C 2.329 179.824 177.584 -0.148 0.000 1.181 706 A CA 1.720 53.653 52.037 -0.173 0.000 0.620 706 A CB -0.368 18.564 19.000 -0.113 0.000 0.821 706 A HN 0.241 nan 8.150 nan 0.000 0.443 707 A N -0.511 122.265 122.820 -0.073 0.000 2.016 707 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 707 A C 2.073 179.645 177.584 -0.021 0.000 1.162 707 A CA 1.563 53.572 52.037 -0.046 0.000 0.662 707 A CB -0.332 18.651 19.000 -0.027 0.000 0.812 707 A HN 0.510 nan 8.150 nan 0.000 0.450 708 K N -0.107 120.297 120.400 0.006 0.000 2.097 708 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 708 K C 0.265 176.931 176.600 0.110 0.000 1.050 708 K CA 1.434 57.755 56.287 0.058 0.000 0.938 708 K CB -0.120 32.432 32.500 0.088 0.000 0.718 708 K HN 0.782 nan 8.250 nan 0.000 0.442 709 H N -0.499 118.562 119.070 -0.015 0.000 2.651 709 H HA 0.381 4.937 4.556 -0.000 0.000 0.252 709 H C -3.032 172.287 175.328 -0.015 0.000 1.365 709 H CA -2.071 53.969 56.048 -0.014 0.000 1.539 709 H CB 0.915 30.668 29.762 -0.015 0.000 1.621 709 H HN -0.005 nan 8.280 nan 0.000 0.526 713 L N 0.466 121.673 121.223 -0.027 0.000 2.613 713 L HA 0.722 5.062 4.340 -0.000 0.000 0.200 713 L C 0.502 177.345 176.870 -0.046 0.000 1.467 713 L CA 0.630 55.446 54.840 -0.040 0.000 2.933 713 L CB 0.470 42.507 42.059 -0.037 0.000 2.750 713 L HN 0.484 nan 8.230 nan 0.000 0.990 714 T N -2.913 111.613 114.554 -0.047 0.000 3.046 714 T HA 0.216 4.566 4.350 -0.000 0.000 0.326 714 T C -0.866 173.791 174.700 -0.071 0.000 1.764 714 T CA -0.664 61.407 62.100 -0.049 0.000 1.012 714 T CB -0.292 68.556 68.868 -0.033 0.000 1.995 714 T HN 0.411 nan 8.240 nan 0.000 0.542 715 S N 0.552 116.190 115.700 -0.102 0.000 2.721 715 S HA 0.661 5.131 4.470 -0.000 0.000 0.264 715 S C -0.584 173.925 174.600 -0.152 0.000 1.161 715 S CA -0.047 58.085 58.200 -0.112 0.000 1.113 715 S CB 0.294 63.426 63.200 -0.114 0.000 1.079 715 S HN 1.885 nan 8.310 nan 0.000 0.479 716 V N 2.684 122.534 119.914 -0.107 0.000 2.604 716 V HA 0.910 5.030 4.120 -0.000 0.000 0.305 716 V C -0.677 175.384 176.094 -0.056 0.000 1.043 716 V CA -0.820 61.421 62.300 -0.099 0.000 0.888 716 V CB 1.837 33.641 31.823 -0.033 0.000 0.995 716 V HN 0.762 nan 8.190 nan 0.000 0.429 717 R N 3.014 123.487 120.500 -0.045 0.000 2.710 717 R HA 0.647 4.986 4.340 -0.000 0.000 0.270 717 R C -3.067 173.242 176.300 0.015 0.000 1.021 717 R CA -1.762 54.332 56.100 -0.010 0.000 0.889 717 R CB 2.483 32.779 30.300 -0.008 0.000 1.243 717 R HN 0.637 nan 8.270 nan 0.000 0.464 718 P HA 0.125 nan 4.420 nan 0.000 0.274 718 P C 0.001 177.332 177.300 0.051 0.000 1.260 718 P CA -0.170 62.957 63.100 0.044 0.000 0.793 718 P CB 0.976 32.702 31.700 0.043 0.000 1.048 719 N N -0.458 118.276 118.700 0.057 0.000 2.333 719 N HA 0.080 4.820 4.740 -0.000 0.000 0.183 719 N C 0.547 176.103 175.510 0.076 0.000 1.030 719 N CA 1.433 54.522 53.050 0.065 0.000 0.867 719 N CB 0.033 38.557 38.487 0.061 0.000 1.027 719 N HN 0.654 nan 8.380 nan 0.000 0.435 720 G N -0.041 108.802 108.800 0.072 0.000 3.678 720 G HA2 0.224 4.184 3.960 -0.000 0.000 0.235 720 G HA3 0.224 4.184 3.960 -0.000 0.000 0.235 720 G C -1.364 173.577 174.900 0.069 0.000 3.905 720 G CA -0.434 44.710 45.100 0.074 0.000 0.513 720 G HN 0.111 nan 8.290 nan 0.000 0.266 721 L N 0.226 121.489 121.223 0.068 0.000 3.030 721 L HA 0.501 4.841 4.340 -0.000 0.000 0.252 721 L C 1.422 178.335 176.870 0.071 0.000 1.316 721 L CA -0.491 54.393 54.840 0.073 0.000 0.975 721 L CB 0.730 42.844 42.059 0.092 0.000 1.357 721 L HN 0.353 nan 8.230 nan 0.000 0.534 722 E N 1.176 121.413 120.200 0.062 0.000 2.276 722 E HA -0.349 4.001 4.350 -0.000 0.000 0.226 722 E C 0.179 176.809 176.600 0.051 0.000 1.090 722 E CA 2.202 58.635 56.400 0.055 0.000 0.930 722 E CB 0.061 29.796 29.700 0.058 0.000 0.791 722 E HN 0.644 nan 8.360 nan 0.000 0.467 723 D N -0.787 119.658 120.400 0.074 0.000 2.952 723 D HA -0.109 4.530 4.640 -0.000 0.000 0.247 723 D C -1.070 175.303 176.300 0.122 0.000 1.039 723 D CA 0.981 55.032 54.000 0.085 0.000 0.838 723 D CB -1.364 39.447 40.800 0.018 0.000 1.033 723 D HN 0.316 nan 8.370 nan 0.000 0.429 724 T N -0.621 114.029 114.554 0.160 0.000 2.913 724 T HA 0.770 5.120 4.350 -0.000 0.000 0.287 724 T C -2.193 172.686 174.700 0.297 0.000 1.008 724 T CA -1.287 60.943 62.100 0.215 0.000 1.067 724 T CB 2.042 71.007 68.868 0.161 0.000 0.996 724 T HN 0.058 nan 8.240 nan 0.000 0.513 725 P HA 0.271 nan 4.420 nan 0.000 0.274 725 P C -1.157 176.327 177.300 0.307 0.000 1.246 725 P CA -0.531 62.776 63.100 0.344 0.000 0.795 725 P CB 0.553 32.421 31.700 0.280 0.000 1.006 726 Q N 0.208 120.138 119.800 0.216 0.000 2.372 726 Q HA 0.438 4.777 4.340 -0.000 0.000 0.273 726 Q C -1.207 174.704 176.000 -0.149 0.000 1.078 726 Q CA -0.733 55.100 55.803 0.049 0.000 0.806 726 Q CB 1.689 30.439 28.738 0.021 0.000 1.332 726 Q HN 0.289 nan 8.270 nan 0.000 0.435 727 F N 2.955 122.559 119.950 -0.576 0.000 2.509 727 F HA 0.205 4.732 4.527 -0.001 0.000 0.350 727 F C 0.095 175.603 175.800 -0.487 0.000 1.220 727 F CA -0.652 56.820 58.000 -0.880 0.000 1.151 727 F CB 0.103 38.489 39.000 -1.024 0.000 1.379 727 F HN 0.359 nan 8.300 nan 0.000 0.610 728 K N 6.264 126.265 120.400 -0.665 0.000 2.379 728 K HA 0.286 4.606 4.320 -0.000 0.000 0.284 728 K C -0.994 175.210 176.600 -0.660 0.000 1.044 728 K CA 0.213 56.203 56.287 -0.495 0.000 0.974 728 K CB 0.064 32.388 32.500 -0.293 0.000 0.962 728 K HN 0.636 nan 8.250 nan 0.000 0.474 729 I N 4.463 124.769 120.570 -0.440 0.000 2.382 729 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 729 I C -0.779 175.230 176.117 -0.179 0.000 1.007 729 I CA -0.993 60.113 61.300 -0.324 0.000 1.142 729 I CB 1.525 39.400 38.000 -0.209 0.000 1.289 729 I HN 0.623 nan 8.210 nan 0.000 0.453 730 D N 7.422 127.736 120.400 -0.144 0.000 2.249 730 D HA 0.416 5.056 4.640 -0.000 0.000 0.246 730 D C -0.153 176.115 176.300 -0.054 0.000 1.114 730 D CA -0.076 53.870 54.000 -0.091 0.000 0.854 730 D CB 1.670 42.424 40.800 -0.075 0.000 1.132 730 D HN 0.328 nan 8.370 nan 0.000 0.461 731 I N 2.112 122.640 120.570 -0.070 0.000 2.306 731 I HA 0.078 4.247 4.170 -0.000 0.000 0.288 731 I C 0.073 176.146 176.117 -0.073 0.000 1.036 731 I CA -0.710 60.538 61.300 -0.087 0.000 1.221 731 I CB 0.907 38.793 38.000 -0.191 0.000 1.385 731 I HN 0.282 nan 8.210 nan 0.000 0.472 732 D N 6.421 126.808 120.400 -0.022 0.000 2.363 732 D HA -0.026 4.613 4.640 -0.000 0.000 0.263 732 D C 1.099 177.373 176.300 -0.043 0.000 1.258 732 D CA 0.313 54.304 54.000 -0.014 0.000 0.907 732 D CB 0.957 41.773 40.800 0.026 0.000 1.107 732 D HN 0.389 nan 8.370 nan 0.000 0.495 733 Q N 3.304 123.069 119.800 -0.058 0.000 2.046 733 Q HA -0.173 4.166 4.340 -0.000 0.000 0.200 733 Q C 1.747 177.717 176.000 -0.050 0.000 0.975 733 Q CA 1.373 57.131 55.803 -0.076 0.000 0.836 733 Q CB -0.121 28.578 28.738 -0.065 0.000 0.896 733 Q HN 0.785 nan 8.270 nan 0.000 0.428 734 E N 0.711 120.895 120.200 -0.026 0.000 2.118 734 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 734 E C 1.966 178.568 176.600 0.004 0.000 0.992 734 E CA 0.981 57.375 56.400 -0.011 0.000 0.804 734 E CB -0.215 29.482 29.700 -0.005 0.000 0.741 734 E HN 0.127 nan 8.360 nan 0.000 0.458 735 K N 0.670 121.081 120.400 0.019 0.000 2.026 735 K HA -0.114 4.205 4.320 -0.000 0.000 0.208 735 K C 2.363 179.008 176.600 0.074 0.000 1.048 735 K CA 1.151 57.471 56.287 0.055 0.000 0.929 735 K CB -0.269 32.283 32.500 0.088 0.000 0.713 735 K HN 0.221 nan 8.250 nan 0.000 0.439 736 A N 1.829 124.672 122.820 0.039 0.000 1.892 736 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 736 A C 1.982 179.572 177.584 0.010 0.000 1.188 736 A CA 1.747 53.785 52.037 0.001 0.000 0.631 736 A CB -0.576 18.291 19.000 -0.221 0.000 0.822 736 A HN 0.469 nan 8.150 nan 0.000 0.447 737 Q N -0.626 119.166 119.800 -0.012 0.000 2.297 737 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 737 Q C 2.154 178.162 176.000 0.013 0.000 0.962 737 Q CA 0.889 56.688 55.803 -0.007 0.000 0.879 737 Q CB -0.368 28.360 28.738 -0.017 0.000 0.947 737 Q HN 0.634 nan 8.270 nan 0.000 0.462 738 A N 1.841 124.674 122.820 0.023 0.000 1.930 738 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 738 A C 2.104 179.710 177.584 0.037 0.000 1.175 738 A CA 0.842 52.895 52.037 0.027 0.000 0.627 738 A CB -0.471 18.546 19.000 0.028 0.000 0.815 738 A HN 0.310 nan 8.150 nan 0.000 0.443 739 L N -1.382 119.876 121.223 0.058 0.000 2.395 739 L HA 0.200 4.539 4.340 -0.000 0.000 0.218 739 L C 1.345 178.252 176.870 0.063 0.000 1.130 739 L CA 0.533 55.415 54.840 0.070 0.000 0.826 739 L CB -0.902 41.226 42.059 0.114 0.000 0.941 739 L HN 0.561 nan 8.230 nan 0.000 0.451 740 G N 1.497 110.327 108.800 0.050 0.000 2.520 740 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.264 740 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.264 740 G C -0.319 174.605 174.900 0.040 0.000 1.140 740 G CA -0.058 45.063 45.100 0.036 0.000 1.012 740 G HN 0.174 nan 8.290 nan 0.000 0.511 741 V N -2.157 117.773 119.914 0.026 0.000 2.789 741 V HA 0.877 4.997 4.120 -0.000 0.000 0.311 741 V C 0.646 176.719 176.094 -0.035 0.000 1.073 741 V CA -0.774 61.533 62.300 0.012 0.000 0.921 741 V CB 1.794 33.632 31.823 0.026 0.000 1.009 741 V HN 0.619 nan 8.190 nan 0.000 0.426 742 S N 1.454 117.137 115.700 -0.028 0.000 2.548 742 S HA 0.466 4.936 4.470 -0.000 0.000 0.277 742 S C 0.992 175.542 174.600 -0.082 0.000 1.315 742 S CA -0.400 57.774 58.200 -0.043 0.000 1.050 742 S CB 0.582 63.770 63.200 -0.020 0.000 0.918 742 S HN 0.626 nan 8.310 nan 0.000 0.497 743 I N 4.004 124.516 120.570 -0.098 0.000 2.928 743 I HA -0.036 4.134 4.170 -0.000 0.000 0.266 743 I C 1.847 177.910 176.117 -0.091 0.000 1.234 743 I CA 0.480 61.700 61.300 -0.135 0.000 1.483 743 I CB -0.396 37.526 38.000 -0.130 0.000 1.097 743 I HN 0.476 nan 8.210 nan 0.000 0.455 744 N N 1.156 119.824 118.700 -0.053 0.000 2.058 744 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 744 N C 1.506 177.006 175.510 -0.016 0.000 1.037 744 N CA 1.562 54.596 53.050 -0.026 0.000 0.848 744 N CB -0.410 38.070 38.487 -0.012 0.000 1.021 744 N HN 0.336 nan 8.380 nan 0.000 0.422 745 D N 0.327 120.719 120.400 -0.013 0.000 2.178 745 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 745 D C 1.943 178.254 176.300 0.019 0.000 0.980 745 D CA 0.595 54.604 54.000 0.015 0.000 0.842 745 D CB -0.025 40.793 40.800 0.030 0.000 0.948 745 D HN 0.339 nan 8.370 nan 0.000 0.472 746 I N 1.160 121.701 120.570 -0.048 0.000 2.353 746 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 746 I C 2.068 178.175 176.117 -0.016 0.000 1.119 746 I CA 0.552 61.798 61.300 -0.091 0.000 1.417 746 I CB -0.125 37.657 38.000 -0.363 0.000 1.078 746 I HN -0.103 nan 8.210 nan 0.000 0.421 747 N N 0.155 118.836 118.700 -0.032 0.000 2.109 747 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 747 N C 1.920 177.448 175.510 0.029 0.000 1.034 747 N CA 1.855 54.902 53.050 -0.005 0.000 0.846 747 N CB -0.605 37.871 38.487 -0.018 0.000 1.010 747 N HN 0.212 nan 8.380 nan 0.000 0.425 748 T N 0.575 115.147 114.554 0.029 0.000 3.160 748 T HA 0.021 4.371 4.350 -0.000 0.000 0.257 748 T C 1.213 175.930 174.700 0.029 0.000 1.147 748 T CA 1.015 63.136 62.100 0.034 0.000 1.064 748 T CB -0.240 68.649 68.868 0.034 0.000 0.949 748 T HN 0.308 nan 8.240 nan 0.000 0.526 749 T N 1.003 115.592 114.554 0.057 0.000 2.781 749 T HA 0.078 4.428 4.350 -0.000 0.000 0.252 749 T C 1.725 176.399 174.700 -0.044 0.000 1.039 749 T CA 0.704 62.826 62.100 0.038 0.000 1.147 749 T CB -0.559 68.438 68.868 0.215 0.000 0.865 749 T HN 0.277 nan 8.240 nan 0.000 0.423 750 L N 1.930 123.210 121.223 0.095 0.000 2.093 750 L HA 0.222 4.562 4.340 -0.000 0.000 0.208 750 L C 2.487 179.400 176.870 0.071 0.000 1.085 750 L CA 1.808 56.698 54.840 0.084 0.000 0.755 750 L CB -0.970 41.150 42.059 0.101 0.000 0.904 750 L HN 0.369 nan 8.230 nan 0.000 0.435 751 G N -1.432 107.387 108.800 0.033 0.000 2.408 751 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.215 751 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.215 751 G C 1.379 176.297 174.900 0.030 0.000 1.156 751 G CA 0.439 45.555 45.100 0.027 0.000 0.793 751 G HN 0.536 nan 8.290 nan 0.000 0.535 752 A N -0.052 122.767 122.820 -0.002 0.000 2.275 752 A HA 0.719 5.039 4.320 -0.000 0.000 0.212 752 A C 2.103 179.629 177.584 -0.097 0.000 1.201 752 A CA 1.316 53.343 52.037 -0.016 0.000 0.843 752 A CB -0.066 18.928 19.000 -0.011 0.000 0.873 752 A HN 0.527 nan 8.150 nan 0.000 0.492 753 A N -1.446 121.261 122.820 -0.188 0.000 1.993 753 A HA 0.291 4.610 4.320 -0.000 0.000 0.202 753 A C 1.588 179.012 177.584 -0.267 0.000 1.461 753 A CA 0.502 52.271 52.037 -0.446 0.000 0.824 753 A CB -0.476 17.771 19.000 -1.255 0.000 1.024 753 A HN 0.566 nan 8.150 nan 0.000 0.507 754 W N -0.175 121.008 121.300 -0.195 0.000 2.704 754 W HA 0.308 4.967 4.660 -0.001 0.000 0.266 754 W C 2.193 178.685 176.519 -0.045 0.000 1.266 754 W CA 0.808 58.102 57.345 -0.085 0.000 1.377 754 W CB -0.127 29.272 29.460 -0.102 0.000 1.082 754 W HN 0.364 nan 8.180 nan 0.000 0.608 755 G N -0.768 108.125 108.800 0.155 0.000 2.727 755 G HA2 0.450 4.410 3.960 -0.000 0.000 0.203 755 G HA3 0.450 4.410 3.960 -0.000 0.000 0.203 755 G C 0.559 175.493 174.900 0.057 0.000 1.117 755 G CA 0.538 45.687 45.100 0.082 0.000 0.817 755 G HN 0.393 nan 8.290 nan 0.000 0.553 756 G N -1.430 107.410 108.800 0.066 0.000 2.576 756 G HA2 0.393 4.353 3.960 -0.000 0.000 0.686 756 G HA3 0.393 4.353 3.960 -0.000 0.000 0.686 756 G C -0.716 174.276 174.900 0.153 0.000 1.242 756 G CA 0.169 45.320 45.100 0.084 0.000 0.819 756 G HN 1.202 nan 8.290 nan 0.000 0.655 757 S N -0.257 115.596 115.700 0.254 0.000 2.649 757 S HA 0.533 5.003 4.470 -0.000 0.000 0.274 757 S C -0.776 174.018 174.600 0.323 0.000 1.176 757 S CA -0.481 57.876 58.200 0.261 0.000 0.988 757 S CB 0.977 64.260 63.200 0.139 0.000 1.071 757 S HN 1.670 nan 8.310 nan 0.000 0.478 758 Y N 6.371 126.783 120.300 0.186 0.000 2.680 758 Y HA 0.273 4.823 4.550 -0.000 0.000 0.356 758 Y C 0.948 176.799 175.900 -0.081 0.000 1.122 758 Y CA 0.358 58.404 58.100 -0.091 0.000 1.509 758 Y CB -0.009 38.434 38.460 -0.028 0.000 1.245 758 Y HN 0.520 nan 8.280 nan 0.000 0.513 759 V N 4.616 124.316 119.914 -0.357 0.000 2.302 759 V HA -0.058 4.062 4.120 -0.000 0.000 0.243 759 V C 0.650 176.547 176.094 -0.329 0.000 1.036 759 V CA 1.490 63.651 62.300 -0.233 0.000 1.020 759 V CB -0.625 31.101 31.823 -0.161 0.000 0.657 759 V HN 0.761 nan 8.190 nan 0.000 0.453 760 N N -2.180 116.200 118.700 -0.533 0.000 3.378 760 N HA 0.284 5.024 4.740 -0.000 0.000 0.294 760 N C -2.230 173.028 175.510 -0.420 0.000 1.544 760 N CA -0.595 52.232 53.050 -0.372 0.000 0.872 760 N CB 1.584 39.990 38.487 -0.134 0.000 1.670 760 N HN 0.064 nan 8.380 nan 0.000 0.551 761 D N 0.078 120.391 120.400 -0.144 0.000 2.457 761 D HA 0.457 5.096 4.640 -0.000 0.000 0.240 761 D C -1.068 175.325 176.300 0.155 0.000 1.041 761 D CA -0.099 53.892 54.000 -0.015 0.000 0.861 761 D CB 1.610 42.412 40.800 0.003 0.000 1.394 761 D HN 0.408 nan 8.370 nan 0.000 0.473 762 F N -0.395 119.552 119.950 -0.005 0.000 2.611 762 F HA 0.691 5.218 4.527 -0.000 0.000 0.324 762 F C -1.258 174.568 175.800 0.044 0.000 1.061 762 F CA -1.171 56.871 58.000 0.071 0.000 0.954 762 F CB 0.864 39.993 39.000 0.216 0.000 1.301 762 F HN 0.044 nan 8.300 nan 0.000 0.482 763 I N 2.058 122.445 120.570 -0.304 0.000 2.353 763 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 763 I C -1.040 174.754 176.117 -0.538 0.000 0.992 763 I CA 0.127 61.187 61.300 -0.401 0.000 1.268 763 I CB 1.246 39.171 38.000 -0.124 0.000 1.387 763 I HN 0.607 nan 8.210 nan 0.000 0.478 764 D N 5.918 126.003 120.400 -0.524 0.000 2.473 764 D HA 0.374 5.014 4.640 -0.000 0.000 0.253 764 D C -0.193 176.050 176.300 -0.095 0.000 1.233 764 D CA -0.445 53.400 54.000 -0.259 0.000 0.908 764 D CB 0.503 41.136 40.800 -0.279 0.000 1.170 764 D HN 0.401 nan 8.370 nan 0.000 0.558 765 R N 2.867 123.350 120.500 -0.028 0.000 3.333 765 R HA -0.227 4.113 4.340 -0.000 0.000 0.256 765 R C 0.978 177.267 176.300 -0.018 0.000 1.010 765 R CA 0.884 56.982 56.100 -0.004 0.000 0.680 765 R CB -1.487 28.826 30.300 0.022 0.000 1.102 765 R HN 0.906 nan 8.270 nan 0.000 0.440 766 G N -0.410 108.367 108.800 -0.039 0.000 3.400 766 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.209 766 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.209 766 G C 0.044 174.908 174.900 -0.061 0.000 1.411 766 G CA 0.114 45.191 45.100 -0.038 0.000 0.917 766 G HN 0.362 nan 8.290 nan 0.000 0.570 767 R N 0.969 121.433 120.500 -0.061 0.000 2.370 767 R HA 0.441 4.781 4.340 -0.000 0.000 0.309 767 R C 0.311 176.528 176.300 -0.138 0.000 1.059 767 R CA 0.193 56.251 56.100 -0.070 0.000 0.981 767 R CB 1.784 32.062 30.300 -0.036 0.000 0.972 767 R HN 0.460 nan 8.270 nan 0.000 0.437 768 V N 5.326 125.165 119.914 -0.125 0.000 2.479 768 V HA 0.060 4.180 4.120 -0.000 0.000 0.281 768 V C -0.024 175.983 176.094 -0.145 0.000 1.031 768 V CA 0.478 62.675 62.300 -0.171 0.000 1.038 768 V CB 0.082 31.850 31.823 -0.093 0.000 0.981 768 V HN 0.700 nan 8.190 nan 0.000 0.478 769 K N 5.608 125.860 120.400 -0.248 0.000 2.359 769 K HA 0.633 4.953 4.320 -0.000 0.000 0.261 769 K C -0.969 175.651 176.600 0.033 0.000 1.050 769 K CA -1.101 55.139 56.287 -0.079 0.000 1.053 769 K CB 1.129 33.603 32.500 -0.043 0.000 1.492 769 K HN 0.595 nan 8.250 nan 0.000 0.640 770 K N 0.918 121.401 120.400 0.138 0.000 2.259 770 K HA 0.450 4.769 4.320 -0.000 0.000 0.249 770 K C -0.810 175.762 176.600 -0.047 0.000 0.942 770 K CA -0.892 55.392 56.287 -0.004 0.000 0.816 770 K CB 1.973 34.437 32.500 -0.061 0.000 1.155 770 K HN 0.147 nan 8.250 nan 0.000 0.428 771 V N 2.525 122.262 119.914 -0.295 0.000 2.394 771 V HA 0.312 4.432 4.120 -0.000 0.000 0.282 771 V C -0.973 174.824 176.094 -0.495 0.000 1.031 771 V CA -0.679 61.396 62.300 -0.375 0.000 0.881 771 V CB -0.087 31.564 31.823 -0.288 0.000 0.982 771 V HN 0.579 nan 8.190 nan 0.000 0.451 772 Y N 2.621 122.781 120.300 -0.233 0.000 2.524 772 Y HA 0.766 5.316 4.550 -0.001 0.000 0.344 772 Y C -0.116 175.642 175.900 -0.237 0.000 1.012 772 Y CA -0.991 57.006 58.100 -0.171 0.000 1.068 772 Y CB 2.312 40.710 38.460 -0.104 0.000 1.249 772 Y HN 0.417 nan 8.280 nan 0.000 0.468 773 V N 4.322 124.272 119.914 0.059 0.000 2.733 773 V HA 0.509 4.628 4.120 -0.000 0.000 0.306 773 V C -0.859 175.238 176.094 0.006 0.000 1.084 773 V CA -0.264 62.010 62.300 -0.045 0.000 0.905 773 V CB 1.814 33.615 31.823 -0.036 0.000 1.010 773 V HN 1.040 nan 8.190 nan 0.000 0.424 774 M N 3.627 123.228 119.600 0.002 0.000 1.981 774 M HA 0.527 5.007 4.480 -0.000 0.000 0.172 774 M C -0.678 175.710 176.300 0.146 0.000 1.931 774 M CA 0.737 56.088 55.300 0.084 0.000 0.949 774 M CB 1.717 34.426 32.600 0.182 0.000 1.541 774 M HN 0.901 nan 8.290 nan 0.000 0.625 775 S N 0.139 116.047 115.700 0.348 0.000 2.816 775 S HA 0.134 4.604 4.470 -0.000 0.000 0.282 775 S C -1.549 173.273 174.600 0.370 0.000 0.867 775 S CA -1.053 57.363 58.200 0.360 0.000 0.886 775 S CB 0.075 63.486 63.200 0.352 0.000 1.115 775 S HN 0.421 nan 8.310 nan 0.000 0.485 776 E N 1.030 121.389 120.200 0.265 0.000 2.481 776 E HA 0.270 4.620 4.350 -0.000 0.000 0.263 776 E C 1.647 178.221 176.600 -0.044 0.000 0.992 776 E CA 0.345 56.769 56.400 0.039 0.000 0.938 776 E CB 0.508 30.305 29.700 0.162 0.000 0.933 776 E HN 0.805 nan 8.360 nan 0.000 0.453 777 A N 5.004 127.657 122.820 -0.278 0.000 1.883 777 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 777 A C 1.935 179.386 177.584 -0.222 0.000 1.186 777 A CA 2.041 53.919 52.037 -0.264 0.000 0.624 777 A CB -0.501 18.298 19.000 -0.336 0.000 0.822 777 A HN 0.754 nan 8.150 nan 0.000 0.444 778 K N -1.317 118.915 120.400 -0.279 0.000 2.286 778 K HA -0.191 4.128 4.320 -0.000 0.000 0.203 778 K C 0.721 177.023 176.600 -0.495 0.000 1.045 778 K CA 1.712 57.756 56.287 -0.406 0.000 0.935 778 K CB -0.514 31.664 32.500 -0.536 0.000 0.737 778 K HN 0.579 nan 8.250 nan 0.000 0.460 779 Y N 1.766 121.912 120.300 -0.256 0.000 2.537 779 Y HA 0.178 4.728 4.550 -0.000 0.000 0.303 779 Y C 0.435 176.072 175.900 -0.439 0.000 1.176 779 Y CA -0.390 57.508 58.100 -0.337 0.000 1.273 779 Y CB 0.271 38.469 38.460 -0.438 0.000 1.110 779 Y HN 0.204 nan 8.280 nan 0.000 0.518 780 R N -2.300 117.980 120.500 -0.367 0.000 2.430 780 R HA 0.251 4.591 4.340 -0.000 0.000 0.325 780 R C -0.273 175.925 176.300 -0.170 0.000 1.048 780 R CA -0.002 55.641 56.100 -0.762 0.000 1.183 780 R CB -0.658 29.055 30.300 -0.978 0.000 1.406 780 R HN 0.047 nan 8.270 nan 0.000 0.694 781 M N 0.249 119.814 119.600 -0.058 0.000 2.571 781 M HA 0.368 4.848 4.480 -0.000 0.000 0.259 781 M C 0.085 176.421 176.300 0.061 0.000 1.205 781 M CA 0.554 55.854 55.300 0.000 0.000 1.138 781 M CB -0.074 32.480 32.600 -0.077 0.000 1.329 781 M HN 0.271 nan 8.290 nan 0.000 0.503 782 L N -1.272 119.998 121.223 0.079 0.000 2.322 782 L HA 0.459 4.799 4.340 -0.000 0.000 0.252 782 L C -1.775 175.093 176.870 -0.003 0.000 1.055 782 L CA -1.629 53.230 54.840 0.031 0.000 0.849 782 L CB 0.591 42.654 42.059 0.007 0.000 1.446 782 L HN -0.271 nan 8.230 nan 0.000 0.416 783 P HA -0.052 nan 4.420 nan 0.000 0.229 783 P C 0.265 177.541 177.300 -0.041 0.000 1.160 783 P CA 0.947 63.794 63.100 -0.421 0.000 0.777 783 P CB 0.300 31.580 31.700 -0.699 0.000 0.814 784 D N 0.320 120.736 120.400 0.027 0.000 2.269 784 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 784 D C 1.008 177.358 176.300 0.085 0.000 0.963 784 D CA 0.828 54.867 54.000 0.065 0.000 0.864 784 D CB -0.180 40.643 40.800 0.038 0.000 0.936 784 D HN 0.222 nan 8.370 nan 0.000 0.505 785 D N 0.636 121.111 120.400 0.124 0.000 2.363 785 D HA -0.007 4.633 4.640 -0.000 0.000 0.226 785 D C 2.094 178.567 176.300 0.287 0.000 1.020 785 D CA -0.011 54.064 54.000 0.124 0.000 0.892 785 D CB 0.420 41.254 40.800 0.056 0.000 0.900 785 D HN 0.302 nan 8.370 nan 0.000 0.531 786 I N 0.616 121.410 120.570 0.373 0.000 2.439 786 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 786 I C 2.454 178.662 176.117 0.152 0.000 1.139 786 I CA 0.874 62.390 61.300 0.359 0.000 1.438 786 I CB -0.859 37.237 38.000 0.159 0.000 1.085 786 I HN -0.015 nan 8.210 nan 0.000 0.427 787 G N 0.830 109.698 108.800 0.113 0.000 2.471 787 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.219 787 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.219 787 G C 1.199 175.982 174.900 -0.195 0.000 1.125 787 G CA 0.390 45.527 45.100 0.062 0.000 0.775 787 G HN 0.332 nan 8.290 nan 0.000 0.548 788 D N 0.231 120.451 120.400 -0.300 0.000 2.144 788 D HA -0.069 4.570 4.640 -0.000 0.000 0.199 788 D C 0.408 176.124 176.300 -0.974 0.000 0.984 788 D CA 0.456 54.080 54.000 -0.626 0.000 0.834 788 D CB -0.155 40.301 40.800 -0.573 0.000 0.955 788 D HN 0.470 nan 8.370 nan 0.000 0.465 789 W N 1.022 122.053 121.300 -0.449 0.000 2.485 789 W HA 0.184 4.844 4.660 -0.001 0.000 0.315 789 W C -0.407 176.016 176.519 -0.160 0.000 1.304 789 W CA -0.678 56.499 57.345 -0.281 0.000 1.345 789 W CB -0.107 29.259 29.460 -0.157 0.000 1.368 789 W HN -0.150 nan 8.180 nan 0.000 0.497 790 Y N 2.655 123.169 120.300 0.357 0.000 2.331 790 Y HA 0.492 5.042 4.550 -0.000 0.000 0.338 790 Y C 0.287 176.372 175.900 0.309 0.000 0.992 790 Y CA -1.769 56.507 58.100 0.293 0.000 1.121 790 Y CB 0.551 39.106 38.460 0.158 0.000 1.184 790 Y HN 0.038 nan 8.280 nan 0.000 0.469 791 V N 2.834 123.027 119.914 0.464 0.000 2.612 791 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 791 V C 0.119 176.366 176.094 0.256 0.000 1.046 791 V CA -1.454 61.056 62.300 0.349 0.000 0.946 791 V CB 1.555 33.587 31.823 0.349 0.000 1.003 791 V HN 0.729 nan 8.190 nan 0.000 0.459 792 R N 2.230 122.845 120.500 0.192 0.000 2.438 792 R HA 0.586 4.926 4.340 -0.000 0.000 0.287 792 R C -0.157 176.214 176.300 0.120 0.000 1.077 792 R CA 0.234 56.418 56.100 0.139 0.000 1.034 792 R CB 0.679 31.046 30.300 0.112 0.000 0.993 792 R HN 0.989 nan 8.270 nan 0.000 0.459 793 A N 3.409 126.289 122.820 0.099 0.000 2.324 793 A HA 0.557 4.877 4.320 -0.000 0.000 0.330 793 A C 1.088 178.706 177.584 0.056 0.000 1.165 793 A CA -0.168 51.917 52.037 0.080 0.000 0.813 793 A CB 1.274 20.323 19.000 0.082 0.000 1.197 793 A HN 1.035 nan 8.150 nan 0.000 0.484 794 A N 1.775 124.622 122.820 0.044 0.000 1.997 794 A HA -0.287 4.033 4.320 -0.000 0.000 0.226 794 A C 1.048 178.650 177.584 0.030 0.000 1.327 794 A CA 2.639 54.696 52.037 0.032 0.000 0.693 794 A CB -1.130 17.884 19.000 0.024 0.000 0.832 794 A HN 1.049 nan 8.150 nan 0.000 0.497 795 D N -1.145 119.273 120.400 0.031 0.000 3.038 795 D HA 0.398 5.038 4.640 -0.000 0.000 0.243 795 D C 0.878 177.195 176.300 0.028 0.000 1.245 795 D CA 0.278 54.294 54.000 0.026 0.000 0.871 795 D CB -1.349 39.464 40.800 0.022 0.000 1.089 795 D HN 0.747 nan 8.370 nan 0.000 0.464 796 G N 1.446 110.266 108.800 0.032 0.000 2.424 796 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.290 796 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.290 796 G C -0.238 174.682 174.900 0.033 0.000 0.912 796 G CA 0.929 46.050 45.100 0.035 0.000 1.142 796 G HN 0.775 nan 8.290 nan 0.000 0.501 797 Q N -1.952 117.872 119.800 0.039 0.000 2.527 797 Q HA 0.738 5.078 4.340 -0.000 0.000 0.280 797 Q C -0.451 175.576 176.000 0.045 0.000 0.977 797 Q CA -1.306 54.516 55.803 0.031 0.000 0.837 797 Q CB 0.659 29.405 28.738 0.012 0.000 1.454 797 Q HN 0.050 nan 8.270 nan 0.000 0.387 798 M N 0.997 120.616 119.600 0.032 0.000 2.198 798 M HA 0.583 5.063 4.480 -0.000 0.000 0.315 798 M C -0.840 175.483 176.300 0.040 0.000 1.134 798 M CA -0.095 55.239 55.300 0.058 0.000 1.171 798 M CB 1.391 34.002 32.600 0.019 0.000 1.413 798 M HN 0.578 nan 8.290 nan 0.000 0.467 799 V N 2.602 122.587 119.914 0.118 0.000 2.777 799 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 799 V C -2.429 173.776 176.094 0.186 0.000 1.112 799 V CA -1.329 61.028 62.300 0.095 0.000 0.917 799 V CB 2.140 34.039 31.823 0.127 0.000 1.018 799 V HN 0.733 nan 8.190 nan 0.000 0.426 800 P HA 0.354 nan 4.420 nan 0.000 0.276 800 P C 0.609 177.820 177.300 -0.149 0.000 1.261 800 P CA -0.253 63.018 63.100 0.285 0.000 0.800 800 P CB 1.361 33.213 31.700 0.252 0.000 1.066 801 F N 0.745 120.599 119.950 -0.159 0.000 2.060 801 F HA -0.227 4.300 4.527 -0.000 0.000 0.295 801 F C 2.858 178.441 175.800 -0.362 0.000 1.120 801 F CA 2.417 60.244 58.000 -0.287 0.000 1.205 801 F CB -0.717 38.354 39.000 0.119 0.000 0.986 801 F HN 0.307 nan 8.300 nan 0.000 0.470 802 S N 0.643 116.390 115.700 0.078 0.000 2.421 802 S HA -0.367 4.103 4.470 -0.000 0.000 0.239 802 S C 2.088 176.649 174.600 -0.066 0.000 1.054 802 S CA 1.088 59.313 58.200 0.043 0.000 1.035 802 S CB -1.315 61.935 63.200 0.083 0.000 0.840 802 S HN 0.398 nan 8.310 nan 0.000 0.475 803 A N 2.568 125.267 122.820 -0.202 0.000 1.849 803 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 803 A C 2.114 179.625 177.584 -0.121 0.000 1.202 803 A CA 1.759 53.681 52.037 -0.191 0.000 0.629 803 A CB -1.259 17.586 19.000 -0.257 0.000 0.834 803 A HN 0.971 nan 8.150 nan 0.000 0.447 804 F N -0.096 119.849 119.950 -0.008 0.000 2.765 804 F HA 0.329 4.855 4.527 -0.001 0.000 0.302 804 F C 1.075 176.840 175.800 -0.057 0.000 1.111 804 F CA 0.027 57.998 58.000 -0.049 0.000 1.359 804 F CB -0.366 38.578 39.000 -0.094 0.000 1.097 804 F HN 0.197 nan 8.300 nan 0.000 0.577 805 S N 0.351 116.187 115.700 0.226 0.000 2.693 805 S HA 0.593 5.063 4.470 -0.000 0.000 0.276 805 S C -0.240 174.425 174.600 0.108 0.000 1.192 805 S CA -0.408 57.924 58.200 0.220 0.000 0.994 805 S CB 1.761 65.126 63.200 0.276 0.000 1.012 805 S HN 0.228 nan 8.310 nan 0.000 0.550 806 S N 0.344 116.079 115.700 0.058 0.000 2.571 806 S HA 0.599 5.069 4.470 -0.000 0.000 0.284 806 S C -1.079 173.474 174.600 -0.078 0.000 1.128 806 S CA -0.578 57.623 58.200 0.002 0.000 0.970 806 S CB 1.392 64.578 63.200 -0.023 0.000 1.039 806 S HN 1.108 nan 8.310 nan 0.000 0.485 807 S N 4.506 120.172 115.700 -0.057 0.000 2.498 807 S HA 0.843 5.313 4.470 -0.000 0.000 0.317 807 S C -0.865 173.659 174.600 -0.126 0.000 1.090 807 S CA -0.708 57.399 58.200 -0.155 0.000 1.089 807 S CB 0.269 63.574 63.200 0.174 0.000 0.997 807 S HN 0.934 nan 8.310 nan 0.000 0.470 808 R N 2.548 122.836 120.500 -0.353 0.000 2.633 808 R HA 0.358 4.697 4.340 -0.000 0.000 0.255 808 R C -1.900 174.286 176.300 -0.191 0.000 1.106 808 R CA -0.940 55.102 56.100 -0.098 0.000 0.959 808 R CB -0.043 30.220 30.300 -0.062 0.000 1.259 808 R HN 0.503 nan 8.270 nan 0.000 0.453 809 W N 1.416 122.671 121.300 -0.074 0.000 2.253 809 W HA 0.545 5.204 4.660 -0.000 0.000 0.348 809 W C 0.463 176.914 176.519 -0.114 0.000 1.229 809 W CA -0.045 57.267 57.345 -0.057 0.000 1.335 809 W CB 0.878 30.329 29.460 -0.015 0.000 1.165 809 W HN 0.566 nan 8.180 nan 0.000 0.631 810 E N -0.568 119.702 120.200 0.117 0.000 2.458 810 E HA 0.237 4.586 4.350 -0.000 0.000 0.278 810 E C -1.885 174.738 176.600 0.038 0.000 1.004 810 E CA -1.040 55.379 56.400 0.032 0.000 0.823 810 E CB 1.959 31.672 29.700 0.022 0.000 1.396 810 E HN 0.214 nan 8.360 nan 0.000 0.463 811 Y N 0.394 120.758 120.300 0.108 0.000 2.854 811 Y HA 0.445 4.994 4.550 -0.000 0.000 0.330 811 Y C 0.362 176.326 175.900 0.106 0.000 1.037 811 Y CA -0.495 57.668 58.100 0.106 0.000 1.263 811 Y CB 1.244 39.754 38.460 0.082 0.000 1.120 811 Y HN 0.552 nan 8.280 nan 0.000 0.532 812 G N 0.388 109.361 108.800 0.287 0.000 2.552 812 G HA2 0.487 4.447 3.960 -0.000 0.000 0.318 812 G HA3 0.487 4.447 3.960 -0.000 0.000 0.318 812 G C -0.805 174.226 174.900 0.218 0.000 1.240 812 G CA -0.758 44.472 45.100 0.217 0.000 1.002 812 G HN 0.384 nan 8.290 nan 0.000 0.493 813 S N -0.836 114.957 115.700 0.156 0.000 2.532 813 S HA 0.634 5.104 4.470 -0.000 0.000 0.301 813 S C -2.050 172.569 174.600 0.032 0.000 1.083 813 S CA -1.492 56.775 58.200 0.112 0.000 1.025 813 S CB 2.387 65.667 63.200 0.133 0.000 1.056 813 S HN 0.213 nan 8.310 nan 0.000 0.494 814 P HA 0.228 nan 4.420 nan 0.000 0.255 814 P C -0.265 177.043 177.300 0.013 0.000 1.248 814 P CA 0.207 63.327 63.100 0.033 0.000 0.807 814 P CB -0.104 31.629 31.700 0.054 0.000 1.150 815 R N 0.553 121.050 120.500 -0.005 0.000 2.522 815 R HA 0.433 4.773 4.340 -0.000 0.000 0.273 815 R C -1.859 174.414 176.300 -0.046 0.000 1.133 815 R CA -0.562 55.532 56.100 -0.009 0.000 0.969 815 R CB 0.731 31.045 30.300 0.024 0.000 1.235 815 R HN -0.144 nan 8.270 nan 0.000 0.433 816 L N 3.939 125.124 121.223 -0.063 0.000 2.366 816 L HA 0.467 4.806 4.340 -0.000 0.000 0.266 816 L C -0.355 176.502 176.870 -0.022 0.000 1.010 816 L CA -0.861 53.923 54.840 -0.093 0.000 0.879 816 L CB 1.646 43.609 42.059 -0.160 0.000 1.228 816 L HN 0.630 nan 8.230 nan 0.000 0.439 817 E N 3.129 123.336 120.200 0.011 0.000 2.383 817 E HA 0.334 4.683 4.350 -0.000 0.000 0.264 817 E C -0.449 176.176 176.600 0.042 0.000 1.050 817 E CA -0.148 56.274 56.400 0.038 0.000 0.896 817 E CB 0.785 30.518 29.700 0.055 0.000 0.982 817 E HN 0.405 nan 8.360 nan 0.000 0.424 818 R N 2.760 123.292 120.500 0.052 0.000 2.545 818 R HA 0.154 4.494 4.340 -0.000 0.000 0.289 818 R C -1.410 174.933 176.300 0.071 0.000 1.327 818 R CA -0.634 55.498 56.100 0.053 0.000 1.040 818 R CB 0.736 31.050 30.300 0.023 0.000 1.176 818 R HN 0.552 nan 8.270 nan 0.000 0.518 819 Y N 4.022 124.301 120.300 -0.034 0.000 2.452 819 Y HA 0.076 4.625 4.550 -0.000 0.000 0.348 819 Y C 0.399 176.276 175.900 -0.038 0.000 0.985 819 Y CA 0.099 58.172 58.100 -0.046 0.000 1.214 819 Y CB 0.503 38.904 38.460 -0.097 0.000 1.136 819 Y HN 0.647 nan 8.280 nan 0.000 0.523 820 N N 4.705 123.249 118.700 -0.259 0.000 2.746 820 N HA -0.185 4.554 4.740 -0.000 0.000 0.250 820 N C 0.737 176.215 175.510 -0.053 0.000 1.055 820 N CA 1.216 54.165 53.050 -0.168 0.000 0.699 820 N CB -1.140 37.279 38.487 -0.114 0.000 0.919 820 N HN 1.262 nan 8.380 nan 0.000 0.548 821 G N -1.355 107.417 108.800 -0.047 0.000 2.184 821 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.264 821 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.264 821 G C 0.022 174.919 174.900 -0.004 0.000 0.975 821 G CA 0.896 45.981 45.100 -0.024 0.000 0.642 821 G HN 0.478 nan 8.290 nan 0.000 0.536 822 L N 0.295 121.525 121.223 0.012 0.000 2.371 822 L HA 0.585 4.925 4.340 -0.000 0.000 0.262 822 L C -2.311 174.581 176.870 0.036 0.000 1.006 822 L CA -2.783 52.070 54.840 0.021 0.000 0.818 822 L CB 2.414 44.485 42.059 0.020 0.000 1.354 822 L HN -0.181 nan 8.230 nan 0.000 0.415 823 P HA 0.090 nan 4.420 nan 0.000 0.271 823 P C -0.782 176.543 177.300 0.042 0.000 1.226 823 P CA 0.160 63.285 63.100 0.042 0.000 0.765 823 P CB 1.483 33.214 31.700 0.052 0.000 0.835 824 S N 2.836 118.564 115.700 0.046 0.000 2.569 824 S HA 0.733 5.203 4.470 -0.000 0.000 0.280 824 S C -0.849 173.762 174.600 0.018 0.000 1.111 824 S CA -0.720 57.487 58.200 0.013 0.000 0.887 824 S CB 0.840 64.040 63.200 0.001 0.000 1.095 824 S HN 0.299 nan 8.310 nan 0.000 0.476 825 M N 2.979 122.572 119.600 -0.011 0.000 2.142 825 M HA 0.374 4.854 4.480 -0.000 0.000 0.299 825 M C -0.471 175.813 176.300 -0.026 0.000 0.960 825 M CA -0.458 54.848 55.300 0.011 0.000 0.920 825 M CB 1.803 34.428 32.600 0.041 0.000 1.541 825 M HN 0.674 nan 8.290 nan 0.000 0.429 826 E N 4.526 124.718 120.200 -0.014 0.000 2.313 826 E HA 0.469 4.819 4.350 -0.000 0.000 0.272 826 E C -1.260 175.363 176.600 0.038 0.000 1.038 826 E CA -0.558 55.823 56.400 -0.031 0.000 0.863 826 E CB 1.198 30.885 29.700 -0.022 0.000 1.060 826 E HN 0.581 nan 8.360 nan 0.000 0.402 827 I N 5.193 125.819 120.570 0.093 0.000 2.448 827 I HA 0.184 4.354 4.170 -0.000 0.000 0.281 827 I C -0.466 175.779 176.117 0.213 0.000 1.027 827 I CA -0.655 60.748 61.300 0.170 0.000 1.111 827 I CB 1.071 39.238 38.000 0.278 0.000 1.236 827 I HN 0.634 nan 8.210 nan 0.000 0.452 828 L N 6.121 127.389 121.223 0.075 0.000 2.397 828 L HA 0.451 4.791 4.340 -0.000 0.000 0.263 828 L C 0.974 177.702 176.870 -0.236 0.000 1.136 828 L CA -0.243 54.581 54.840 -0.027 0.000 1.019 828 L CB 0.573 42.614 42.059 -0.029 0.000 1.352 828 L HN 0.658 nan 8.230 nan 0.000 0.420 829 G N 1.812 110.234 108.800 -0.630 0.000 2.535 829 G HA2 0.623 4.583 3.960 -0.000 0.000 0.303 829 G HA3 0.623 4.583 3.960 -0.000 0.000 0.303 829 G C -0.803 173.401 174.900 -1.160 0.000 1.237 829 G CA -0.274 44.215 45.100 -1.019 0.000 0.986 829 G HN 0.481 nan 8.290 nan 0.000 0.494 830 Q N -1.419 117.928 119.800 -0.754 0.000 2.495 830 Q HA 0.587 4.927 4.340 -0.000 0.000 0.287 830 Q C -0.148 175.726 176.000 -0.210 0.000 1.078 830 Q CA -0.899 54.651 55.803 -0.421 0.000 0.793 830 Q CB 2.457 31.046 28.738 -0.248 0.000 1.459 830 Q HN 0.819 nan 8.270 nan 0.000 0.422 831 A N 0.809 123.585 122.820 -0.072 0.000 2.448 831 A HA 0.537 4.856 4.320 -0.000 0.000 0.239 831 A C 0.062 177.626 177.584 -0.034 0.000 1.080 831 A CA 0.376 52.412 52.037 -0.001 0.000 0.779 831 A CB -0.085 18.917 19.000 0.002 0.000 1.026 831 A HN 0.748 nan 8.150 nan 0.000 0.499 832 A N 1.998 124.806 122.820 -0.019 0.000 2.429 832 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 832 A C -1.161 176.403 177.584 -0.034 0.000 1.088 832 A CA -0.389 51.630 52.037 -0.030 0.000 0.784 832 A CB -0.635 18.351 19.000 -0.023 0.000 1.038 832 A HN 0.621 nan 8.150 nan 0.000 0.501 833 P HA -0.052 nan 4.420 nan 0.000 0.220 833 P C 1.361 178.644 177.300 -0.029 0.000 1.148 833 P CA 1.805 64.885 63.100 -0.034 0.000 0.803 833 P CB 0.155 31.836 31.700 -0.031 0.000 0.782 834 G N -0.750 108.035 108.800 -0.026 0.000 2.570 834 G HA2 0.006 3.966 3.960 -0.000 0.000 0.209 834 G HA3 0.006 3.966 3.960 -0.000 0.000 0.209 834 G C 0.594 175.479 174.900 -0.026 0.000 1.168 834 G CA 0.036 45.121 45.100 -0.024 0.000 0.831 834 G HN 0.222 nan 8.290 nan 0.000 0.564 835 K N 0.049 120.435 120.400 -0.022 0.000 2.136 835 K HA 0.473 4.792 4.320 -0.000 0.000 0.237 835 K C -0.592 175.994 176.600 -0.022 0.000 1.048 835 K CA 0.108 56.382 56.287 -0.022 0.000 0.880 835 K CB 0.827 33.317 32.500 -0.016 0.000 1.105 835 K HN 0.102 nan 8.250 nan 0.000 0.507 836 S N 0.142 115.828 115.700 -0.023 0.000 2.423 836 S HA 0.181 4.650 4.470 -0.000 0.000 0.213 836 S C -0.214 174.371 174.600 -0.025 0.000 1.131 836 S CA -0.050 58.136 58.200 -0.022 0.000 1.155 836 S CB -0.031 63.151 63.200 -0.030 0.000 1.202 836 S HN 0.781 nan 8.310 nan 0.000 0.441 837 T N 3.418 117.965 114.554 -0.011 0.000 13.608 837 T HA -0.315 4.035 4.350 -0.000 0.000 0.419 837 T C 1.701 176.349 174.700 -0.086 0.000 1.441 837 T CA 2.199 64.280 62.100 -0.031 0.000 2.350 837 T CB -1.798 67.044 68.868 -0.043 0.000 2.789 837 T HN 1.261 nan 8.240 nan 0.000 0.511 838 G N 1.839 110.581 108.800 -0.097 0.000 2.550 838 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.222 838 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.222 838 G C 1.214 176.059 174.900 -0.092 0.000 1.113 838 G CA 1.955 46.988 45.100 -0.111 0.000 0.748 838 G HN 0.841 nan 8.290 nan 0.000 0.585 839 E N 0.599 120.762 120.200 -0.062 0.000 2.021 839 E HA 0.072 4.422 4.350 -0.000 0.000 0.189 839 E C 3.038 179.611 176.600 -0.046 0.000 0.980 839 E CA 0.629 57.002 56.400 -0.045 0.000 0.803 839 E CB -0.346 29.336 29.700 -0.030 0.000 0.766 839 E HN 0.373 nan 8.360 nan 0.000 0.449 840 A N 1.891 124.696 122.820 -0.025 0.000 1.865 840 A HA -0.232 4.087 4.320 -0.000 0.000 0.217 840 A C 2.300 179.857 177.584 -0.044 0.000 1.191 840 A CA 1.774 53.819 52.037 0.014 0.000 0.623 840 A CB -0.709 18.360 19.000 0.114 0.000 0.826 840 A HN 0.147 nan 8.150 nan 0.000 0.444 841 M N -1.085 118.423 119.600 -0.153 0.000 2.088 841 M HA -0.223 4.256 4.480 -0.000 0.000 0.256 841 M C 2.282 178.462 176.300 -0.200 0.000 1.071 841 M CA 2.198 57.257 55.300 -0.401 0.000 1.097 841 M CB -0.324 31.847 32.600 -0.714 0.000 1.315 841 M HN 0.590 nan 8.290 nan 0.000 0.406 842 E N 0.564 120.675 120.200 -0.148 0.000 2.204 842 E HA -0.122 4.227 4.350 -0.000 0.000 0.194 842 E C 0.968 177.540 176.600 -0.047 0.000 0.989 842 E CA 0.835 57.193 56.400 -0.070 0.000 0.824 842 E CB -0.024 29.640 29.700 -0.060 0.000 0.756 842 E HN 0.511 nan 8.360 nan 0.000 0.477 843 L N 0.859 122.048 121.223 -0.058 0.000 2.928 843 L HA 0.164 4.504 4.340 -0.000 0.000 0.236 843 L C 1.465 178.278 176.870 -0.096 0.000 1.290 843 L CA -0.135 54.674 54.840 -0.052 0.000 1.099 843 L CB 0.221 42.259 42.059 -0.035 0.000 1.437 843 L HN 0.069 nan 8.230 nan 0.000 0.493 844 M N -1.968 117.548 119.600 -0.140 0.000 1.869 844 M HA 0.070 4.550 4.480 -0.000 0.000 0.287 844 M C 1.509 177.560 176.300 -0.414 0.000 1.017 844 M CA 0.515 55.632 55.300 -0.304 0.000 1.077 844 M CB 0.650 33.008 32.600 -0.405 0.000 1.989 844 M HN 0.213 nan 8.290 nan 0.000 0.694 845 E N 1.083 121.151 120.200 -0.220 0.000 2.204 845 E HA -0.218 4.131 4.350 -0.000 0.000 0.194 845 E C 1.499 178.002 176.600 -0.162 0.000 0.989 845 E CA 1.441 57.675 56.400 -0.277 0.000 0.824 845 E CB 0.079 29.812 29.700 0.056 0.000 0.756 845 E HN 0.543 nan 8.360 nan 0.000 0.477 846 Q N 0.267 120.014 119.800 -0.088 0.000 2.378 846 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 846 Q C 1.754 177.726 176.000 -0.047 0.000 0.954 846 Q CA 0.837 56.620 55.803 -0.033 0.000 0.901 846 Q CB -0.238 28.497 28.738 -0.005 0.000 0.981 846 Q HN 0.254 nan 8.270 nan 0.000 0.483 847 L N -0.355 120.803 121.223 -0.109 0.000 2.298 847 L HA 0.250 4.590 4.340 -0.000 0.000 0.209 847 L C 2.071 178.880 176.870 -0.101 0.000 1.084 847 L CA 0.710 55.495 54.840 -0.091 0.000 0.816 847 L CB -0.244 41.740 42.059 -0.125 0.000 0.967 847 L HN 0.371 nan 8.230 nan 0.000 0.460 848 A N -0.373 122.342 122.820 -0.174 0.000 2.067 848 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 848 A C 2.314 179.921 177.584 0.037 0.000 1.156 848 A CA 1.288 53.276 52.037 -0.082 0.000 0.683 848 A CB -0.312 18.597 19.000 -0.153 0.000 0.808 848 A HN 0.457 nan 8.150 nan 0.000 0.455 849 S N -1.095 114.626 115.700 0.035 0.000 2.562 849 S HA 0.101 4.571 4.470 -0.000 0.000 0.221 849 S C 1.282 175.911 174.600 0.049 0.000 0.975 849 S CA 0.831 59.085 58.200 0.090 0.000 0.918 849 S CB -0.100 63.164 63.200 0.107 0.000 0.772 849 S HN 0.498 nan 8.310 nan 0.000 0.531 850 K N 0.375 120.789 120.400 0.025 0.000 2.372 850 K HA 0.407 4.726 4.320 -0.000 0.000 0.200 850 K C -0.052 176.558 176.600 0.017 0.000 1.022 850 K CA -0.185 56.113 56.287 0.018 0.000 1.125 850 K CB 0.157 32.663 32.500 0.010 0.000 0.855 850 K HN 0.400 nan 8.250 nan 0.000 0.524 851 L N 1.226 122.464 121.223 0.024 0.000 2.469 851 L HA 0.317 4.657 4.340 -0.000 0.000 0.253 851 L C -1.836 175.048 176.870 0.023 0.000 1.143 851 L CA -2.204 52.649 54.840 0.022 0.000 0.804 851 L CB 0.013 42.090 42.059 0.030 0.000 1.214 851 L HN -0.062 nan 8.230 nan 0.000 0.476 852 P HA 0.047 nan 4.420 nan 0.000 0.272 852 P C -0.621 176.689 177.300 0.017 0.000 1.248 852 P CA -0.277 62.831 63.100 0.013 0.000 0.799 852 P CB 0.210 31.914 31.700 0.007 0.000 0.997 853 T N 0.055 114.617 114.554 0.012 0.000 2.918 853 T HA 0.386 4.736 4.350 -0.000 0.000 0.302 853 T C 1.084 175.789 174.700 0.009 0.000 1.045 853 T CA 1.002 63.109 62.100 0.012 0.000 1.114 853 T CB -0.094 68.779 68.868 0.008 0.000 0.965 853 T HN 0.827 nan 8.240 nan 0.000 0.540 854 G N 0.948 109.753 108.800 0.008 0.000 2.176 854 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.252 854 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.252 854 G C -0.027 174.875 174.900 0.004 0.000 1.024 854 G CA -0.079 45.023 45.100 0.003 0.000 0.755 854 G HN 0.786 nan 8.290 nan 0.000 0.507 855 V N 0.404 120.325 119.914 0.012 0.000 2.443 855 V HA 0.683 4.803 4.120 -0.000 0.000 0.272 855 V C 0.931 177.048 176.094 0.038 0.000 1.002 855 V CA 0.005 62.316 62.300 0.018 0.000 0.840 855 V CB 0.977 32.814 31.823 0.023 0.000 1.042 855 V HN 0.758 nan 8.190 nan 0.000 0.446 856 G N 3.248 112.052 108.800 0.006 0.000 2.606 856 G HA2 0.742 4.701 3.960 -0.000 0.000 0.262 856 G HA3 0.742 4.701 3.960 -0.000 0.000 0.262 856 G C -0.914 173.995 174.900 0.016 0.000 1.394 856 G CA -0.259 44.836 45.100 -0.008 0.000 1.044 856 G HN 0.827 nan 8.290 nan 0.000 0.553 857 Y N -3.084 117.095 120.300 -0.202 0.000 2.725 857 Y HA 0.718 5.268 4.550 -0.000 0.000 0.333 857 Y C -1.884 173.742 175.900 -0.457 0.000 1.242 857 Y CA -1.479 56.351 58.100 -0.449 0.000 1.059 857 Y CB 1.880 40.040 38.460 -0.501 0.000 1.306 857 Y HN 0.547 nan 8.280 nan 0.000 0.454 858 D N 0.111 120.177 120.400 -0.556 0.000 2.812 858 D HA 0.196 4.836 4.640 -0.000 0.000 0.210 858 D C -1.777 174.166 176.300 -0.594 0.000 1.260 858 D CA -0.533 53.201 54.000 -0.444 0.000 0.817 858 D CB 1.328 41.920 40.800 -0.347 0.000 1.694 858 D HN 0.622 nan 8.370 nan 0.000 0.530 870 G N 2.053 110.987 108.800 0.224 0.000 2.629 870 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.686 870 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.686 870 G C -0.158 174.826 174.900 0.140 0.000 1.232 870 G CA 0.036 45.240 45.100 0.174 0.000 0.803 870 G HN 0.544 nan 8.290 nan 0.000 0.638 871 N N -0.010 118.745 118.700 0.092 0.000 2.289 871 N HA -0.120 4.619 4.740 -0.000 0.000 0.184 871 N C 2.075 177.647 175.510 0.104 0.000 1.016 871 N CA 2.077 55.172 53.050 0.075 0.000 0.872 871 N CB -0.109 38.402 38.487 0.040 0.000 0.973 871 N HN 0.838 nan 8.380 nan 0.000 0.433 872 Q N 0.361 120.241 119.800 0.135 0.000 2.175 872 Q HA -0.388 3.952 4.340 -0.000 0.000 0.234 872 Q C 1.773 177.886 176.000 0.188 0.000 1.081 872 Q CA 3.180 59.093 55.803 0.184 0.000 0.940 872 Q CB -1.258 27.656 28.738 0.294 0.000 1.032 872 Q HN 0.441 nan 8.270 nan 0.000 0.478 873 A N -0.000 122.954 122.820 0.225 0.000 1.884 873 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 873 A C -0.268 177.477 177.584 0.269 0.000 1.197 873 A CA 2.207 54.423 52.037 0.298 0.000 0.637 873 A CB -2.085 17.067 19.000 0.253 0.000 0.827 873 A HN 0.600 nan 8.150 nan 0.000 0.450 874 P HA -0.226 nan 4.420 nan 0.000 0.222 874 P C 1.718 179.088 177.300 0.116 0.000 1.159 874 P CA 2.407 65.572 63.100 0.108 0.000 0.920 874 P CB -0.201 31.544 31.700 0.076 0.000 0.793 875 S N -1.445 114.320 115.700 0.109 0.000 2.341 875 S HA 0.007 4.477 4.470 -0.000 0.000 0.216 875 S C 1.943 176.607 174.600 0.107 0.000 1.034 875 S CA 0.624 58.874 58.200 0.083 0.000 0.964 875 S CB -1.073 62.157 63.200 0.050 0.000 0.882 875 S HN 0.056 nan 8.310 nan 0.000 0.469 876 L N 0.262 121.562 121.223 0.128 0.000 2.011 876 L HA -0.275 4.065 4.340 -0.000 0.000 0.225 876 L C 2.382 179.278 176.870 0.045 0.000 1.084 876 L CA 2.091 56.992 54.840 0.101 0.000 0.791 876 L CB -1.005 41.091 42.059 0.061 0.000 0.898 876 L HN 0.354 nan 8.230 nan 0.000 0.440 877 Y N -0.352 119.964 120.300 0.026 0.000 2.274 877 Y HA -0.204 4.345 4.550 -0.000 0.000 0.290 877 Y C 2.629 178.534 175.900 0.008 0.000 1.145 877 Y CA 1.078 59.181 58.100 0.005 0.000 1.203 877 Y CB -0.645 37.803 38.460 -0.021 0.000 0.984 877 Y HN 0.195 nan 8.280 nan 0.000 0.533 878 A N 0.241 123.155 122.820 0.156 0.000 1.948 878 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 878 A C 2.037 179.653 177.584 0.054 0.000 1.177 878 A CA 2.242 54.327 52.037 0.080 0.000 0.636 878 A CB -1.058 17.975 19.000 0.054 0.000 0.815 878 A HN 0.493 nan 8.150 nan 0.000 0.449 879 I N -0.347 120.261 120.570 0.063 0.000 2.617 879 I HA -0.105 4.065 4.170 -0.000 0.000 0.256 879 I C 2.281 178.433 176.117 0.057 0.000 1.167 879 I CA 1.100 62.439 61.300 0.066 0.000 1.469 879 I CB -0.133 37.939 38.000 0.120 0.000 1.098 879 I HN 0.108 nan 8.210 nan 0.000 0.436 880 S N 0.860 116.582 115.700 0.036 0.000 2.442 880 S HA 0.008 4.477 4.470 -0.000 0.000 0.236 880 S C 1.800 176.414 174.600 0.023 0.000 1.007 880 S CA 0.999 59.205 58.200 0.010 0.000 0.965 880 S CB -0.273 62.903 63.200 -0.040 0.000 0.773 880 S HN 0.423 nan 8.310 nan 0.000 0.504 881 L N -0.022 121.220 121.223 0.031 0.000 2.558 881 L HA 0.244 4.584 4.340 -0.000 0.000 0.225 881 L C 1.525 178.390 176.870 -0.009 0.000 1.128 881 L CA 0.489 55.334 54.840 0.008 0.000 0.868 881 L CB -0.395 41.666 42.059 0.002 0.000 1.006 881 L HN 0.308 nan 8.230 nan 0.000 0.454 882 I N -1.429 119.143 120.570 0.004 0.000 2.947 882 I HA -0.040 4.129 4.170 -0.000 0.000 0.263 882 I C 2.209 178.348 176.117 0.036 0.000 1.130 882 I CA 0.249 61.548 61.300 -0.001 0.000 1.448 882 I CB 0.068 38.066 38.000 -0.004 0.000 1.222 882 I HN -0.134 nan 8.210 nan 0.000 0.453 883 V N 0.766 120.705 119.914 0.042 0.000 2.626 883 V HA -0.178 3.941 4.120 -0.000 0.000 0.252 883 V C 2.437 178.552 176.094 0.034 0.000 1.067 883 V CA 1.199 63.528 62.300 0.047 0.000 1.081 883 V CB -0.474 31.380 31.823 0.052 0.000 0.686 883 V HN 0.217 nan 8.190 nan 0.000 0.468 884 V N -0.437 119.488 119.914 0.019 0.000 2.220 884 V HA -0.293 3.826 4.120 -0.000 0.000 0.246 884 V C 2.162 178.247 176.094 -0.016 0.000 1.049 884 V CA 2.654 64.946 62.300 -0.014 0.000 1.003 884 V CB -0.680 31.123 31.823 -0.033 0.000 0.634 884 V HN 0.533 nan 8.190 nan 0.000 0.444 885 F N -0.485 119.372 119.950 -0.155 0.000 2.154 885 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 885 F C 2.158 177.867 175.800 -0.152 0.000 1.087 885 F CA 1.504 59.367 58.000 -0.228 0.000 1.274 885 F CB -0.035 38.772 39.000 -0.322 0.000 1.009 885 F HN 0.017 nan 8.300 nan 0.000 0.485 886 L N -0.971 120.328 121.223 0.126 0.000 2.044 886 L HA -0.238 4.101 4.340 -0.000 0.000 0.205 886 L C 2.500 179.409 176.870 0.065 0.000 1.075 886 L CA 1.457 56.364 54.840 0.111 0.000 0.747 886 L CB -1.575 40.546 42.059 0.104 0.000 0.903 886 L HN 0.257 nan 8.230 nan 0.000 0.435 887 C N -0.368 118.958 119.300 0.043 0.000 2.437 887 C HA -0.072 4.388 4.460 -0.000 0.000 0.283 887 C C 2.482 177.522 174.990 0.084 0.000 1.424 887 C CA 0.002 59.050 59.018 0.050 0.000 1.782 887 C CB -0.739 27.020 27.740 0.032 0.000 1.833 887 C HN 0.390 nan 8.230 nan 0.000 0.532 888 L N 0.326 121.546 121.223 -0.006 0.000 2.611 888 L HA 0.181 4.521 4.340 -0.000 0.000 0.229 888 L C 1.668 178.566 176.870 0.046 0.000 1.137 888 L CA 0.670 55.484 54.840 -0.043 0.000 0.901 888 L CB -0.299 41.577 42.059 -0.306 0.000 1.098 888 L HN 0.333 nan 8.230 nan 0.000 0.456 889 A N -1.892 120.973 122.820 0.075 0.000 2.635 889 A HA 0.460 4.780 4.320 -0.000 0.000 0.279 889 A C 1.643 179.312 177.584 0.142 0.000 1.122 889 A CA 0.528 52.669 52.037 0.174 0.000 0.965 889 A CB 0.167 19.345 19.000 0.296 0.000 1.221 889 A HN 0.194 nan 8.150 nan 0.000 0.566 890 A N -0.582 122.293 122.820 0.093 0.000 2.123 890 A HA 0.351 4.670 4.320 -0.000 0.000 0.214 890 A C 1.377 178.920 177.584 -0.068 0.000 1.152 890 A CA 1.141 53.196 52.037 0.031 0.000 0.728 890 A CB -0.076 18.943 19.000 0.032 0.000 0.814 890 A HN 0.373 nan 8.150 nan 0.000 0.464 891 L N -3.018 118.090 121.223 -0.191 0.000 2.948 891 L HA 0.225 4.565 4.340 -0.000 0.000 0.259 891 L C -0.127 176.409 176.870 -0.556 0.000 1.136 891 L CA 0.660 55.214 54.840 -0.476 0.000 0.959 891 L CB -0.888 40.687 42.059 -0.807 0.000 1.370 891 L HN 0.492 nan 8.230 nan 0.000 0.552 892 Y N 1.279 121.572 120.300 -0.011 0.000 2.685 892 Y HA 0.290 4.840 4.550 -0.000 0.000 0.339 892 Y C 0.555 176.475 175.900 0.033 0.000 0.961 892 Y CA -1.360 56.735 58.100 -0.009 0.000 1.330 892 Y CB -0.257 38.179 38.460 -0.040 0.000 1.269 892 Y HN 0.192 nan 8.280 nan 0.000 0.566 893 E N 0.136 120.408 120.200 0.120 0.000 2.491 893 E HA 0.180 4.530 4.350 -0.000 0.000 0.250 893 E C 0.505 177.154 176.600 0.082 0.000 1.061 893 E CA 0.817 57.285 56.400 0.114 0.000 0.942 893 E CB 0.402 30.112 29.700 0.017 0.000 0.957 893 E HN 0.493 nan 8.360 nan 0.000 0.480 894 S N 2.413 118.216 115.700 0.172 0.000 4.199 894 S HA -0.032 4.438 4.470 -0.000 0.000 0.180 894 S C 0.356 175.159 174.600 0.339 0.000 1.034 894 S CA -0.183 58.093 58.200 0.127 0.000 1.276 894 S CB -0.833 62.442 63.200 0.126 0.000 1.471 894 S HN 0.813 nan 8.310 nan 0.000 0.439 895 W N 1.782 123.154 121.300 0.120 0.000 1.999 895 W HA -0.268 4.392 4.660 -0.000 0.000 0.278 895 W C 1.267 177.936 176.519 0.250 0.000 1.109 895 W CA 0.446 57.984 57.345 0.322 0.000 0.482 895 W CB -1.887 27.759 29.460 0.311 0.000 2.145 895 W HN 0.654 nan 8.180 nan 0.000 1.158 896 S N -1.116 114.793 115.700 0.347 0.000 2.807 896 S HA 0.089 4.559 4.470 -0.000 0.000 0.247 896 S C 1.150 175.846 174.600 0.160 0.000 1.078 896 S CA 0.626 58.926 58.200 0.167 0.000 0.867 896 S CB -0.288 62.917 63.200 0.009 0.000 0.797 896 S HN 0.113 nan 8.310 nan 0.000 0.515 897 I N 2.937 123.565 120.570 0.097 0.000 2.315 897 I HA 0.045 4.214 4.170 -0.000 0.000 0.248 897 I C -1.272 174.770 176.117 -0.126 0.000 1.117 897 I CA 0.633 61.920 61.300 -0.023 0.000 1.404 897 I CB -1.060 36.923 38.000 -0.028 0.000 1.071 897 I HN 0.241 nan 8.210 nan 0.000 0.419 898 P HA -0.109 nan 4.420 nan 0.000 0.236 898 P C 0.794 177.722 177.300 -0.621 0.000 1.172 898 P CA 1.411 64.098 63.100 -0.688 0.000 0.759 898 P CB -0.123 30.659 31.700 -1.530 0.000 0.843 899 F N -2.002 117.868 119.950 -0.133 0.000 2.746 899 F HA 0.100 4.627 4.527 -0.000 0.000 0.313 899 F C 2.181 177.951 175.800 -0.050 0.000 1.095 899 F CA 0.116 58.099 58.000 -0.028 0.000 1.224 899 F CB -0.803 38.214 39.000 0.029 0.000 1.060 899 F HN -0.130 nan 8.300 nan 0.000 0.584 900 S N 0.204 115.947 115.700 0.072 0.000 2.455 900 S HA -0.173 4.297 4.470 -0.000 0.000 0.199 900 S C 2.030 176.602 174.600 -0.047 0.000 1.169 900 S CA 1.030 59.231 58.200 0.001 0.000 1.503 900 S CB -1.156 62.021 63.200 -0.039 0.000 0.960 900 S HN 0.029 nan 8.310 nan 0.000 0.385 901 V N 1.988 121.833 119.914 -0.114 0.000 2.356 901 V HA -0.334 3.786 4.120 -0.000 0.000 0.267 901 V C 2.625 178.667 176.094 -0.087 0.000 1.133 901 V CA 2.588 64.809 62.300 -0.132 0.000 1.116 901 V CB -0.890 30.804 31.823 -0.214 0.000 0.735 901 V HN 0.555 nan 8.190 nan 0.000 0.455 902 M N -1.741 117.815 119.600 -0.073 0.000 2.192 902 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 902 M C 1.910 178.225 176.300 0.026 0.000 1.071 902 M CA 1.883 57.164 55.300 -0.032 0.000 1.082 902 M CB -0.916 31.674 32.600 -0.017 0.000 1.373 902 M HN 0.395 nan 8.290 nan 0.000 0.408 903 L N -0.497 120.749 121.223 0.040 0.000 2.477 903 L HA -0.013 4.326 4.340 -0.000 0.000 0.220 903 L C 2.210 179.164 176.870 0.140 0.000 1.106 903 L CA 0.243 55.155 54.840 0.119 0.000 0.851 903 L CB -0.658 41.379 42.059 -0.037 0.000 0.994 903 L HN 0.151 nan 8.230 nan 0.000 0.462 904 V N -3.676 116.266 119.914 0.046 0.000 3.078 904 V HA -0.116 4.003 4.120 -0.000 0.000 0.265 904 V C 2.424 178.524 176.094 0.010 0.000 1.122 904 V CA 0.560 62.877 62.300 0.028 0.000 1.141 904 V CB -0.882 30.925 31.823 -0.026 0.000 0.735 904 V HN 0.130 nan 8.190 nan 0.000 0.498 905 V N 1.403 121.319 119.914 0.004 0.000 2.219 905 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 905 V C 0.372 176.448 176.094 -0.029 0.000 1.053 905 V CA 3.085 65.371 62.300 -0.023 0.000 1.009 905 V CB -1.721 30.087 31.823 -0.025 0.000 0.636 905 V HN 0.580 nan 8.190 nan 0.000 0.445 906 P HA 0.086 nan 4.420 nan 0.000 0.251 906 P C 1.609 178.890 177.300 -0.032 0.000 1.223 906 P CA 0.368 63.433 63.100 -0.059 0.000 0.796 906 P CB 0.114 31.748 31.700 -0.110 0.000 1.068 907 L N -0.030 121.214 121.223 0.035 0.000 1.989 907 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 907 L C 2.495 179.375 176.870 0.017 0.000 1.071 907 L CA 2.529 57.401 54.840 0.054 0.000 0.749 907 L CB -1.393 40.721 42.059 0.092 0.000 0.890 907 L HN 0.044 nan 8.230 nan 0.000 0.431 908 G N -2.081 106.720 108.800 0.003 0.000 2.408 908 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.213 908 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.213 908 G C 1.563 176.462 174.900 -0.000 0.000 1.177 908 G CA 0.604 45.703 45.100 -0.003 0.000 0.802 908 G HN 0.192 nan 8.290 nan 0.000 0.533 909 V N 1.297 121.199 119.914 -0.021 0.000 2.380 909 V HA -0.222 3.898 4.120 -0.000 0.000 0.251 909 V C 2.651 178.752 176.094 0.012 0.000 1.063 909 V CA 1.711 63.996 62.300 -0.025 0.000 1.055 909 V CB -0.414 31.357 31.823 -0.087 0.000 0.657 909 V HN 0.412 nan 8.190 nan 0.000 0.455 910 I N 1.416 121.984 120.570 -0.005 0.000 2.194 910 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 910 I C 2.252 178.397 176.117 0.047 0.000 1.093 910 I CA 2.148 63.455 61.300 0.013 0.000 1.355 910 I CB -0.973 37.014 38.000 -0.022 0.000 1.046 910 I HN 0.218 nan 8.210 nan 0.000 0.413 911 G N -0.437 108.387 108.800 0.040 0.000 2.421 911 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 911 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 911 G C 1.730 176.692 174.900 0.104 0.000 1.143 911 G CA 0.681 45.811 45.100 0.049 0.000 0.784 911 G HN 0.638 nan 8.290 nan 0.000 0.541 912 A N 0.892 123.802 122.820 0.151 0.000 1.877 912 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 912 A C 2.424 180.265 177.584 0.429 0.000 1.186 912 A CA 1.360 53.572 52.037 0.290 0.000 0.620 912 A CB -0.520 18.635 19.000 0.259 0.000 0.822 912 A HN 0.341 nan 8.150 nan 0.000 0.443 913 L N -1.051 120.412 121.223 0.401 0.000 2.013 913 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 913 L C 2.657 179.625 176.870 0.163 0.000 1.073 913 L CA 1.714 56.773 54.840 0.366 0.000 0.753 913 L CB -0.535 41.687 42.059 0.271 0.000 0.890 913 L HN 0.471 nan 8.230 nan 0.000 0.432 914 L N -0.687 120.610 121.223 0.124 0.000 2.056 914 L HA -0.177 4.162 4.340 -0.000 0.000 0.207 914 L C 2.691 179.608 176.870 0.079 0.000 1.078 914 L CA 1.363 56.251 54.840 0.080 0.000 0.749 914 L CB -0.276 41.804 42.059 0.036 0.000 0.901 914 L HN 0.231 nan 8.230 nan 0.000 0.433 915 A N -0.623 122.237 122.820 0.067 0.000 1.930 915 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 915 A C 2.285 179.906 177.584 0.062 0.000 1.175 915 A CA 1.550 53.630 52.037 0.072 0.000 0.627 915 A CB -0.694 18.343 19.000 0.063 0.000 0.815 915 A HN 0.517 nan 8.150 nan 0.000 0.443 916 A N -1.439 121.349 122.820 -0.053 0.000 2.081 916 A HA 0.129 4.449 4.320 -0.000 0.000 0.214 916 A C 2.017 179.527 177.584 -0.124 0.000 1.158 916 A CA 1.595 53.510 52.037 -0.202 0.000 0.724 916 A CB -0.572 18.026 19.000 -0.670 0.000 0.826 916 A HN 0.380 nan 8.150 nan 0.000 0.463 917 T N -1.177 113.360 114.554 -0.027 0.000 3.067 917 T HA 0.055 4.405 4.350 -0.000 0.000 0.261 917 T C 1.379 176.130 174.700 0.085 0.000 1.110 917 T CA 0.775 62.883 62.100 0.014 0.000 1.113 917 T CB -0.231 68.665 68.868 0.046 0.000 0.917 917 T HN 0.437 nan 8.240 nan 0.000 0.499 918 F N 1.747 121.672 119.950 -0.041 0.000 2.147 918 F HA 0.341 4.867 4.527 -0.000 0.000 0.291 918 F C 1.313 177.094 175.800 -0.031 0.000 1.093 918 F CA 0.303 58.288 58.000 -0.026 0.000 1.263 918 F CB 0.032 39.022 39.000 -0.018 0.000 1.036 918 F HN -0.143 nan 8.300 nan 0.000 0.481 919 R N -0.479 120.007 120.500 -0.023 0.000 2.571 919 R HA 0.239 4.579 4.340 -0.000 0.000 0.259 919 R C 1.443 177.682 176.300 -0.101 0.000 1.226 919 R CA 0.361 56.392 56.100 -0.115 0.000 1.157 919 R CB 0.199 30.486 30.300 -0.022 0.000 1.220 919 R HN 0.309 nan 8.270 nan 0.000 0.605 920 G N 1.046 109.793 108.800 -0.088 0.000 2.708 920 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.210 920 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.210 920 G C 0.600 175.466 174.900 -0.057 0.000 1.141 920 G CA -0.059 44.999 45.100 -0.069 0.000 0.788 920 G HN 0.166 nan 8.290 nan 0.000 0.531 921 L N 0.252 121.434 121.223 -0.068 0.000 2.503 921 L HA 0.267 4.607 4.340 -0.000 0.000 0.287 921 L C 0.913 177.715 176.870 -0.113 0.000 1.252 921 L CA 0.816 55.604 54.840 -0.087 0.000 0.835 921 L CB 0.573 42.545 42.059 -0.145 0.000 1.099 921 L HN 0.057 nan 8.230 nan 0.000 0.516 922 T N 0.542 115.039 114.554 -0.095 0.000 2.831 922 T HA 0.272 4.621 4.350 -0.000 0.000 0.287 922 T C -0.160 174.527 174.700 -0.022 0.000 1.070 922 T CA -0.685 61.378 62.100 -0.062 0.000 1.010 922 T CB 1.157 70.026 68.868 0.002 0.000 1.264 922 T HN 0.572 nan 8.240 nan 0.000 0.532 923 N N 1.595 120.354 118.700 0.097 0.000 2.807 923 N HA 0.232 4.972 4.740 -0.000 0.000 0.259 923 N C -0.201 175.463 175.510 0.256 0.000 1.149 923 N CA -0.331 52.915 53.050 0.327 0.000 1.042 923 N CB 0.002 38.654 38.487 0.275 0.000 1.367 923 N HN 0.621 nan 8.380 nan 0.000 0.516 924 D N -0.634 119.926 120.400 0.268 0.000 2.466 924 D HA 0.116 4.756 4.640 -0.000 0.000 0.271 924 D C 0.879 177.256 176.300 0.127 0.000 1.193 924 D CA -0.695 53.392 54.000 0.145 0.000 1.103 924 D CB 0.100 40.965 40.800 0.107 0.000 1.184 924 D HN -0.002 nan 8.370 nan 0.000 0.593 925 V N -1.551 118.299 119.914 -0.107 0.000 2.500 925 V HA -0.081 4.039 4.120 -0.000 0.000 0.243 925 V C 1.918 178.079 176.094 0.112 0.000 1.039 925 V CA 0.920 63.129 62.300 -0.153 0.000 1.053 925 V CB -0.773 30.608 31.823 -0.738 0.000 0.695 925 V HN 0.470 nan 8.190 nan 0.000 0.463 926 Y N -1.297 119.155 120.300 0.254 0.000 2.224 926 Y HA -0.273 4.277 4.550 -0.000 0.000 0.289 926 Y C 2.293 178.434 175.900 0.402 0.000 1.146 926 Y CA 2.099 60.428 58.100 0.382 0.000 1.182 926 Y CB -0.393 38.281 38.460 0.357 0.000 0.983 926 Y HN 0.317 nan 8.280 nan 0.000 0.524 927 F N 1.233 121.387 119.950 0.340 0.000 2.163 927 F HA -0.191 4.335 4.527 -0.000 0.000 0.297 927 F C 2.457 178.404 175.800 0.246 0.000 1.094 927 F CA 1.660 59.812 58.000 0.253 0.000 1.290 927 F CB -0.770 38.347 39.000 0.196 0.000 1.017 927 F HN 0.011 nan 8.300 nan 0.000 0.483 928 Q N -0.234 119.662 119.800 0.161 0.000 2.234 928 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 928 Q C 1.722 177.778 176.000 0.093 0.000 0.980 928 Q CA 1.873 57.712 55.803 0.060 0.000 0.869 928 Q CB -0.101 28.767 28.738 0.217 0.000 0.912 928 Q HN 0.359 nan 8.270 nan 0.000 0.436 929 V N -1.159 118.892 119.914 0.229 0.000 3.125 929 V HA 0.074 4.194 4.120 -0.000 0.000 0.249 929 V C 1.988 178.190 176.094 0.179 0.000 1.113 929 V CA 1.133 63.578 62.300 0.243 0.000 1.106 929 V CB -0.026 32.039 31.823 0.404 0.000 0.768 929 V HN 0.501 nan 8.190 nan 0.000 0.468 930 G N 0.166 109.075 108.800 0.181 0.000 2.498 930 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 930 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 930 G C 1.445 176.357 174.900 0.019 0.000 1.119 930 G CA 0.619 45.806 45.100 0.145 0.000 0.766 930 G HN 0.442 nan 8.290 nan 0.000 0.552 931 L N -0.419 120.741 121.223 -0.105 0.000 2.049 931 L HA 0.089 4.428 4.340 -0.000 0.000 0.203 931 L C 2.864 179.710 176.870 -0.039 0.000 1.074 931 L CA 0.492 55.251 54.840 -0.135 0.000 0.749 931 L CB -0.620 41.310 42.059 -0.216 0.000 0.907 931 L HN 0.168 nan 8.230 nan 0.000 0.439 932 L N -0.277 120.965 121.223 0.033 0.000 2.042 932 L HA -0.219 4.120 4.340 -0.000 0.000 0.210 932 L C 2.645 179.409 176.870 -0.177 0.000 1.076 932 L CA 1.691 56.537 54.840 0.010 0.000 0.749 932 L CB -0.991 41.212 42.059 0.240 0.000 0.893 932 L HN 0.304 nan 8.230 nan 0.000 0.432 933 T N -1.972 112.521 114.554 -0.102 0.000 2.821 933 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 933 T C 1.916 176.501 174.700 -0.192 0.000 1.046 933 T CA 1.692 63.675 62.100 -0.194 0.000 1.139 933 T CB -0.274 68.576 68.868 -0.029 0.000 0.871 933 T HN 0.279 nan 8.240 nan 0.000 0.454 934 T N 1.716 116.206 114.554 -0.106 0.000 2.833 934 T HA 0.026 4.376 4.350 -0.000 0.000 0.269 934 T C 1.863 176.483 174.700 -0.133 0.000 1.054 934 T CA 0.834 62.874 62.100 -0.101 0.000 1.135 934 T CB -0.360 68.488 68.868 -0.033 0.000 0.869 934 T HN 0.294 nan 8.240 nan 0.000 0.466 935 I N 0.568 121.054 120.570 -0.141 0.000 2.500 935 I HA 0.039 4.209 4.170 -0.000 0.000 0.252 935 I C 2.682 178.683 176.117 -0.193 0.000 1.142 935 I CA 0.841 62.057 61.300 -0.141 0.000 1.451 935 I CB -0.335 37.600 38.000 -0.108 0.000 1.093 935 I HN 0.258 nan 8.210 nan 0.000 0.430 936 G N 0.715 109.351 108.800 -0.272 0.000 2.422 936 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.218 936 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.218 936 G C 1.652 176.396 174.900 -0.261 0.000 1.146 936 G CA 0.519 45.431 45.100 -0.313 0.000 0.769 936 G HN 0.285 nan 8.290 nan 0.000 0.547 937 L N 0.370 121.432 121.223 -0.268 0.000 2.240 937 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 937 L C 3.038 179.792 176.870 -0.194 0.000 1.106 937 L CA 0.606 55.289 54.840 -0.261 0.000 0.793 937 L CB -0.253 41.594 42.059 -0.353 0.000 0.927 937 L HN 0.170 nan 8.230 nan 0.000 0.446 938 S N -0.171 115.430 115.700 -0.165 0.000 2.382 938 S HA -0.139 4.330 4.470 -0.000 0.000 0.228 938 S C 2.126 176.650 174.600 -0.127 0.000 1.027 938 S CA 1.268 59.395 58.200 -0.121 0.000 0.991 938 S CB -0.046 63.097 63.200 -0.094 0.000 0.823 938 S HN 0.486 nan 8.310 nan 0.000 0.469 939 A N 1.490 124.220 122.820 -0.149 0.000 1.832 939 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 939 A C 1.851 179.337 177.584 -0.164 0.000 1.200 939 A CA 1.990 53.931 52.037 -0.160 0.000 0.610 939 A CB -0.884 18.015 19.000 -0.168 0.000 0.842 939 A HN 0.393 nan 8.150 nan 0.000 0.444 940 K N 0.158 120.460 120.400 -0.164 0.000 1.974 940 K HA -0.306 4.014 4.320 -0.000 0.000 0.233 940 K C 1.721 178.236 176.600 -0.143 0.000 1.017 940 K CA 2.480 58.675 56.287 -0.153 0.000 1.030 940 K CB -0.728 31.673 32.500 -0.164 0.000 0.728 940 K HN 0.492 nan 8.250 nan 0.000 0.455 941 N N -0.106 118.515 118.700 -0.133 0.000 2.106 941 N HA -0.311 4.429 4.740 -0.000 0.000 0.200 941 N C 1.646 177.084 175.510 -0.120 0.000 1.014 941 N CA 2.254 55.237 53.050 -0.111 0.000 0.891 941 N CB -1.026 37.403 38.487 -0.096 0.000 1.069 941 N HN 0.477 nan 8.380 nan 0.000 0.490 942 A N 1.126 123.868 122.820 -0.131 0.000 1.835 942 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 942 A C 2.456 179.940 177.584 -0.166 0.000 1.199 942 A CA 1.503 53.453 52.037 -0.144 0.000 0.615 942 A CB -1.018 17.902 19.000 -0.134 0.000 0.838 942 A HN 0.278 nan 8.150 nan 0.000 0.444 943 I N 0.257 120.707 120.570 -0.200 0.000 2.290 943 I HA -0.352 3.818 4.170 -0.000 0.000 0.253 943 I C 2.255 178.264 176.117 -0.180 0.000 1.112 943 I CA 1.455 62.615 61.300 -0.234 0.000 1.377 943 I CB -0.304 37.553 38.000 -0.240 0.000 1.060 943 I HN 0.383 nan 8.210 nan 0.000 0.428 944 L N -0.440 120.674 121.223 -0.182 0.000 2.044 944 L HA -0.150 4.189 4.340 -0.000 0.000 0.205 944 L C 2.458 179.278 176.870 -0.083 0.000 1.075 944 L CA 1.074 55.774 54.840 -0.232 0.000 0.747 944 L CB -0.732 41.225 42.059 -0.170 0.000 0.903 944 L HN 0.153 nan 8.230 nan 0.000 0.435 945 I N 0.072 120.597 120.570 -0.074 0.000 2.399 945 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 945 I C 2.200 178.312 176.117 -0.009 0.000 1.146 945 I CA 1.263 62.509 61.300 -0.090 0.000 1.412 945 I CB -0.154 37.670 38.000 -0.294 0.000 1.076 945 I HN 0.132 nan 8.210 nan 0.000 0.432 946 V N -0.044 119.850 119.914 -0.033 0.000 2.607 946 V HA -0.129 3.990 4.120 -0.000 0.000 0.228 946 V C 2.269 178.402 176.094 0.066 0.000 1.106 946 V CA 1.198 63.502 62.300 0.007 0.000 1.141 946 V CB -0.553 31.221 31.823 -0.081 0.000 0.808 946 V HN 0.193 nan 8.190 nan 0.000 0.501 947 E N 0.434 120.660 120.200 0.043 0.000 2.172 947 E HA -0.296 4.054 4.350 -0.000 0.000 0.213 947 E C 1.855 178.523 176.600 0.113 0.000 1.051 947 E CA 2.391 58.840 56.400 0.082 0.000 0.860 947 E CB -0.489 29.214 29.700 0.005 0.000 0.755 947 E HN 0.584 nan 8.360 nan 0.000 0.462 948 F N -0.645 119.351 119.950 0.076 0.000 2.084 948 F HA -0.065 4.462 4.527 -0.000 0.000 0.296 948 F C 2.283 178.132 175.800 0.081 0.000 1.111 948 F CA 0.420 58.462 58.000 0.070 0.000 1.224 948 F CB -0.244 38.795 39.000 0.065 0.000 0.991 948 F HN 0.139 nan 8.300 nan 0.000 0.471 949 A N -0.959 122.043 122.820 0.304 0.000 2.239 949 A HA -0.084 4.236 4.320 -0.000 0.000 0.209 949 A C 1.670 179.360 177.584 0.177 0.000 1.171 949 A CA 1.030 53.203 52.037 0.226 0.000 0.768 949 A CB -0.326 18.825 19.000 0.251 0.000 0.790 949 A HN 0.134 nan 8.150 nan 0.000 0.478 950 K N -0.354 120.143 120.400 0.162 0.000 2.365 950 K HA 0.104 4.423 4.320 -0.000 0.000 0.195 950 K C 0.757 177.426 176.600 0.115 0.000 1.079 950 K CA 0.500 56.861 56.287 0.124 0.000 0.979 950 K CB 0.072 32.638 32.500 0.110 0.000 0.929 950 K HN 0.235 nan 8.250 nan 0.000 0.523 951 D N 0.322 120.806 120.400 0.141 0.000 2.378 951 D HA -0.030 4.610 4.640 -0.000 0.000 0.222 951 D C 1.179 177.546 176.300 0.112 0.000 0.980 951 D CA 0.694 54.771 54.000 0.129 0.000 0.907 951 D CB 0.349 41.255 40.800 0.177 0.000 0.899 951 D HN 0.159 nan 8.370 nan 0.000 0.527 952 L N -0.646 120.649 121.223 0.120 0.000 2.537 952 L HA 0.232 4.571 4.340 -0.000 0.000 0.224 952 L C 2.039 178.963 176.870 0.091 0.000 1.065 952 L CA 0.073 54.969 54.840 0.094 0.000 0.860 952 L CB 0.101 42.219 42.059 0.098 0.000 1.086 952 L HN -0.082 nan 8.230 nan 0.000 0.482 953 M N -0.784 118.880 119.600 0.107 0.000 2.618 953 M HA -0.003 4.477 4.480 -0.000 0.000 0.240 953 M C 0.445 176.800 176.300 0.092 0.000 1.123 953 M CA 1.020 56.390 55.300 0.116 0.000 1.060 953 M CB 0.148 32.833 32.600 0.142 0.000 1.535 953 M HN 0.189 nan 8.290 nan 0.000 0.507 954 D N -0.506 119.937 120.400 0.073 0.000 3.041 954 D HA 0.060 4.699 4.640 -0.000 0.000 0.201 954 D C 1.006 177.333 176.300 0.045 0.000 1.432 954 D CA -0.129 53.904 54.000 0.055 0.000 1.469 954 D CB -0.070 40.758 40.800 0.046 0.000 1.051 954 D HN 0.006 nan 8.370 nan 0.000 0.203 955 K N 0.697 121.122 120.400 0.042 0.000 2.209 955 K HA -0.223 4.097 4.320 -0.000 0.000 0.220 955 K C 0.998 177.619 176.600 0.035 0.000 1.002 955 K CA 1.694 58.004 56.287 0.037 0.000 0.947 955 K CB -0.238 32.288 32.500 0.044 0.000 0.891 955 K HN 0.360 nan 8.250 nan 0.000 0.476 956 E N -0.886 119.339 120.200 0.041 0.000 2.568 956 E HA 0.273 4.623 4.350 -0.000 0.000 0.242 956 E C 0.139 176.761 176.600 0.037 0.000 0.945 956 E CA -0.463 55.958 56.400 0.035 0.000 0.918 956 E CB 0.354 30.075 29.700 0.034 0.000 1.386 956 E HN 0.234 nan 8.360 nan 0.000 0.426 957 G N 1.281 110.099 108.800 0.030 0.000 2.202 957 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.251 957 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.251 957 G C 0.850 175.775 174.900 0.042 0.000 1.219 957 G CA 0.530 45.646 45.100 0.027 0.000 0.943 957 G HN 0.489 nan 8.290 nan 0.000 0.465 958 K N 2.738 123.166 120.400 0.046 0.000 2.127 958 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 958 K C 1.656 178.309 176.600 0.089 0.000 1.050 958 K CA 1.417 57.751 56.287 0.078 0.000 0.929 958 K CB -0.559 31.982 32.500 0.067 0.000 0.715 958 K HN 1.310 nan 8.250 nan 0.000 0.457 959 G N 1.795 110.612 108.800 0.029 0.000 2.290 959 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.270 959 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.270 959 G C 0.326 175.223 174.900 -0.005 0.000 0.891 959 G CA 0.580 45.683 45.100 0.004 0.000 1.321 959 G HN 0.438 nan 8.290 nan 0.000 0.425 960 L N 1.186 122.311 121.223 -0.163 0.000 2.012 960 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 960 L C 2.567 179.260 176.870 -0.295 0.000 1.073 960 L CA 2.543 57.080 54.840 -0.506 0.000 0.748 960 L CB 0.008 41.633 42.059 -0.724 0.000 0.891 960 L HN 0.826 nan 8.230 nan 0.000 0.431 961 I N -5.224 115.222 120.570 -0.207 0.000 4.240 961 I HA 0.155 4.324 4.170 -0.000 0.000 0.331 961 I C 1.158 177.195 176.117 -0.133 0.000 1.381 961 I CA -0.037 61.166 61.300 -0.162 0.000 1.136 961 I CB 0.331 38.205 38.000 -0.209 0.000 1.137 961 I HN 0.017 nan 8.210 nan 0.000 0.411 962 E N 1.305 121.450 120.200 -0.091 0.000 2.476 962 E HA 0.331 4.681 4.350 -0.000 0.000 0.199 962 E C 1.950 178.539 176.600 -0.018 0.000 1.021 962 E CA 0.683 57.043 56.400 -0.066 0.000 0.907 962 E CB 0.706 30.370 29.700 -0.061 0.000 0.974 962 E HN 0.644 nan 8.360 nan 0.000 0.489 963 A N 0.377 123.210 122.820 0.021 0.000 1.973 963 A HA -0.046 4.274 4.320 -0.000 0.000 0.210 963 A C 2.280 179.934 177.584 0.118 0.000 1.200 963 A CA 1.140 53.221 52.037 0.073 0.000 0.707 963 A CB -0.652 18.411 19.000 0.106 0.000 0.862 963 A HN 0.301 nan 8.150 nan 0.000 0.461 964 T N -0.419 114.208 114.554 0.122 0.000 2.652 964 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 964 T C 1.904 176.660 174.700 0.093 0.000 1.039 964 T CA 1.557 63.786 62.100 0.214 0.000 1.153 964 T CB -0.757 68.183 68.868 0.120 0.000 0.863 964 T HN 0.239 nan 8.240 nan 0.000 0.428 965 L N 1.479 122.603 121.223 -0.166 0.000 2.046 965 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 965 L C 2.527 179.406 176.870 0.014 0.000 1.077 965 L CA 2.262 56.989 54.840 -0.188 0.000 0.747 965 L CB -0.620 41.315 42.059 -0.206 0.000 0.896 965 L HN 0.264 nan 8.230 nan 0.000 0.432 966 D N -0.307 120.113 120.400 0.033 0.000 2.133 966 D HA -0.240 4.399 4.640 -0.000 0.000 0.195 966 D C 2.037 178.394 176.300 0.096 0.000 0.997 966 D CA 1.561 55.593 54.000 0.054 0.000 0.840 966 D CB 0.061 40.884 40.800 0.039 0.000 0.947 966 D HN 0.460 nan 8.370 nan 0.000 0.452 967 A N -0.292 122.624 122.820 0.160 0.000 1.929 967 A HA -0.027 4.292 4.320 -0.000 0.000 0.216 967 A C 2.425 180.136 177.584 0.213 0.000 1.176 967 A CA 1.286 53.427 52.037 0.174 0.000 0.628 967 A CB -0.727 18.424 19.000 0.251 0.000 0.816 967 A HN 0.239 nan 8.150 nan 0.000 0.444 968 V N -0.109 120.012 119.914 0.345 0.000 2.871 968 V HA -0.086 4.033 4.120 -0.000 0.000 0.256 968 V C 2.420 178.678 176.094 0.272 0.000 1.082 968 V CA 1.472 63.990 62.300 0.363 0.000 1.105 968 V CB -0.716 31.493 31.823 0.643 0.000 0.713 968 V HN 0.546 nan 8.190 nan 0.000 0.473 969 R N 0.982 121.609 120.500 0.211 0.000 2.193 969 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 969 R C 1.285 177.647 176.300 0.103 0.000 1.110 969 R CA 1.785 57.973 56.100 0.146 0.000 0.988 969 R CB -0.194 30.164 30.300 0.096 0.000 0.871 969 R HN 0.727 nan 8.270 nan 0.000 0.458 970 M N -1.187 118.461 119.600 0.080 0.000 3.114 970 M HA 0.365 4.845 4.480 -0.000 0.000 0.386 970 M C -0.299 176.001 176.300 -0.001 0.000 1.417 970 M CA -0.485 54.830 55.300 0.025 0.000 0.785 970 M CB 1.085 33.672 32.600 -0.023 0.000 1.413 970 M HN -0.159 nan 8.290 nan 0.000 0.498 971 R N -0.941 119.599 120.500 0.066 0.000 2.464 971 R HA 0.196 4.536 4.340 -0.000 0.000 0.282 971 R C 0.357 176.711 176.300 0.090 0.000 0.670 971 R CA -0.406 55.749 56.100 0.093 0.000 0.910 971 R CB -1.536 28.874 30.300 0.183 0.000 1.533 971 R HN 0.411 nan 8.270 nan 0.000 0.536 972 L N 0.635 121.889 121.223 0.051 0.000 2.131 972 L HA 0.087 4.426 4.340 -0.000 0.000 0.210 972 L C 1.870 178.723 176.870 -0.028 0.000 1.092 972 L CA 2.009 56.826 54.840 -0.039 0.000 0.759 972 L CB -0.392 41.549 42.059 -0.197 0.000 0.903 972 L HN 0.576 nan 8.230 nan 0.000 0.435 973 R N 0.731 121.235 120.500 0.007 0.000 2.082 973 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 973 R C -0.350 176.048 176.300 0.163 0.000 1.136 973 R CA 2.184 58.337 56.100 0.088 0.000 0.935 973 R CB -1.293 29.028 30.300 0.036 0.000 0.842 973 R HN 0.348 nan 8.270 nan 0.000 0.430 974 P HA -0.147 nan 4.420 nan 0.000 0.217 974 P C 1.524 178.837 177.300 0.022 0.000 1.150 974 P CA 1.172 64.316 63.100 0.074 0.000 0.832 974 P CB -0.222 31.535 31.700 0.095 0.000 0.787 975 I N -1.042 119.541 120.570 0.021 0.000 2.208 975 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 975 I C 2.276 178.374 176.117 -0.032 0.000 1.097 975 I CA 1.415 62.706 61.300 -0.014 0.000 1.363 975 I CB -1.116 36.877 38.000 -0.012 0.000 1.051 975 I HN -0.014 nan 8.210 nan 0.000 0.413 976 L N -0.705 120.507 121.223 -0.018 0.000 2.529 976 L HA 0.068 4.407 4.340 -0.000 0.000 0.223 976 L C 2.214 179.002 176.870 -0.138 0.000 1.113 976 L CA 0.676 55.495 54.840 -0.035 0.000 0.861 976 L CB -0.198 41.868 42.059 0.011 0.000 1.012 976 L HN 0.110 nan 8.230 nan 0.000 0.461 977 M N -1.664 117.826 119.600 -0.184 0.000 2.134 977 M HA -0.161 4.318 4.480 -0.000 0.000 0.262 977 M C 2.061 178.201 176.300 -0.267 0.000 1.076 977 M CA 1.655 56.680 55.300 -0.459 0.000 1.143 977 M CB -0.111 32.296 32.600 -0.322 0.000 1.346 977 M HN 0.141 nan 8.290 nan 0.000 0.421 978 T N 0.142 114.614 114.554 -0.138 0.000 2.597 978 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 978 T C 1.811 176.486 174.700 -0.042 0.000 1.053 978 T CA 2.246 64.296 62.100 -0.083 0.000 1.165 978 T CB -0.417 68.402 68.868 -0.081 0.000 0.863 978 T HN 0.503 nan 8.240 nan 0.000 0.427 979 S N 0.018 115.687 115.700 -0.051 0.000 2.481 979 S HA 0.018 4.487 4.470 -0.000 0.000 0.231 979 S C 1.804 176.415 174.600 0.019 0.000 0.996 979 S CA 0.393 58.598 58.200 0.008 0.000 0.942 979 S CB -0.277 62.914 63.200 -0.015 0.000 0.768 979 S HN 0.304 nan 8.310 nan 0.000 0.520 980 L N 1.830 123.009 121.223 -0.073 0.000 2.084 980 L HA 0.390 4.730 4.340 -0.000 0.000 0.202 980 L C 2.522 179.335 176.870 -0.096 0.000 1.074 980 L CA 1.922 56.698 54.840 -0.108 0.000 0.757 980 L CB -1.447 40.484 42.059 -0.214 0.000 0.918 980 L HN 0.227 nan 8.230 nan 0.000 0.444 981 A N -0.622 122.125 122.820 -0.121 0.000 1.958 981 A HA -0.322 3.998 4.320 -0.000 0.000 0.221 981 A C 2.291 179.864 177.584 -0.018 0.000 1.178 981 A CA 2.361 54.350 52.037 -0.081 0.000 0.642 981 A CB -1.283 17.667 19.000 -0.084 0.000 0.816 981 A HN 0.604 nan 8.150 nan 0.000 0.453 982 F N 0.432 120.320 119.950 -0.104 0.000 2.128 982 F HA 0.032 4.559 4.527 -0.000 0.000 0.295 982 F C 1.693 177.449 175.800 -0.074 0.000 1.100 982 F CA 1.465 59.415 58.000 -0.083 0.000 1.260 982 F CB -0.173 38.780 39.000 -0.079 0.000 1.009 982 F HN 0.134 nan 8.300 nan 0.000 0.476 983 I N 0.456 120.945 120.570 -0.135 0.000 3.444 983 I HA -0.137 4.032 4.170 -0.000 0.000 0.287 983 I C 1.491 177.478 176.117 -0.216 0.000 1.302 983 I CA 0.448 61.615 61.300 -0.222 0.000 1.368 983 I CB -0.417 37.581 38.000 -0.002 0.000 1.048 983 I HN 0.267 nan 8.210 nan 0.000 0.487 984 L N -0.022 121.080 121.223 -0.202 0.000 2.357 984 L HA 0.205 4.545 4.340 -0.000 0.000 0.211 984 L C 2.551 179.310 176.870 -0.184 0.000 1.075 984 L CA 0.638 55.382 54.840 -0.159 0.000 0.830 984 L CB -0.505 41.484 42.059 -0.116 0.000 0.996 984 L HN 0.249 nan 8.230 nan 0.000 0.467 985 G N -0.412 108.249 108.800 -0.231 0.000 2.448 985 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 985 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 985 G C 1.477 176.201 174.900 -0.294 0.000 1.135 985 G CA 0.494 45.457 45.100 -0.228 0.000 0.784 985 G HN 0.144 nan 8.290 nan 0.000 0.543 986 V N 0.806 120.466 119.914 -0.424 0.000 2.667 986 V HA -0.108 4.012 4.120 -0.000 0.000 0.252 986 V C 2.599 178.543 176.094 -0.250 0.000 1.065 986 V CA 1.660 63.720 62.300 -0.399 0.000 1.083 986 V CB -0.235 31.262 31.823 -0.544 0.000 0.692 986 V HN 0.462 nan 8.190 nan 0.000 0.468 987 M N 0.722 120.197 119.600 -0.208 0.000 2.073 987 M HA -0.138 4.342 4.480 -0.000 0.000 0.258 987 M C -0.334 175.890 176.300 -0.127 0.000 1.070 987 M CA 2.429 57.643 55.300 -0.143 0.000 1.103 987 M CB -1.116 31.413 32.600 -0.118 0.000 1.321 987 M HN 0.235 nan 8.290 nan 0.000 0.405 988 P HA -0.186 nan 4.420 nan 0.000 0.218 988 P C 1.335 178.556 177.300 -0.131 0.000 1.146 988 P CA 1.465 64.492 63.100 -0.122 0.000 0.820 988 P CB -0.359 31.263 31.700 -0.129 0.000 0.778 989 L N -1.778 119.348 121.223 -0.162 0.000 2.130 989 L HA -0.050 4.290 4.340 -0.000 0.000 0.200 989 L C 2.541 179.332 176.870 -0.131 0.000 1.075 989 L CA 0.905 55.637 54.840 -0.180 0.000 0.768 989 L CB -1.300 40.602 42.059 -0.261 0.000 0.933 989 L HN -0.164 nan 8.230 nan 0.000 0.451 990 V N 0.606 120.451 119.914 -0.115 0.000 2.233 990 V HA -0.210 3.909 4.120 -0.000 0.000 0.247 990 V C 1.498 177.562 176.094 -0.050 0.000 1.050 990 V CA 1.621 63.877 62.300 -0.072 0.000 1.010 990 V CB -0.588 31.200 31.823 -0.058 0.000 0.637 990 V HN 0.287 nan 8.190 nan 0.000 0.444 991 I N -2.732 117.807 120.570 -0.052 0.000 3.869 991 I HA 0.570 4.740 4.170 -0.000 0.000 0.260 991 I C 1.508 177.596 176.117 -0.047 0.000 1.160 991 I CA -0.030 61.248 61.300 -0.037 0.000 1.248 991 I CB 1.186 39.172 38.000 -0.023 0.000 1.393 991 I HN 0.198 nan 8.210 nan 0.000 0.473 992 S N -0.515 115.164 115.700 -0.036 0.000 4.130 992 S HA -0.250 4.220 4.470 -0.000 0.000 0.326 992 S C 0.731 175.310 174.600 -0.035 0.000 1.851 992 S CA 1.664 59.842 58.200 -0.038 0.000 4.216 992 S CB -2.400 60.769 63.200 -0.053 0.000 0.301 992 S HN 1.005 nan 8.310 nan 0.000 0.455 993 T N 1.467 115.991 114.554 -0.050 0.000 2.766 993 T HA 0.554 4.904 4.350 -0.000 0.000 0.295 993 T C 0.361 175.044 174.700 -0.027 0.000 1.024 993 T CA 0.063 62.136 62.100 -0.045 0.000 1.018 993 T CB 1.272 70.099 68.868 -0.070 0.000 1.002 993 T HN 1.244 nan 8.240 nan 0.000 0.532 994 G N -1.477 107.318 108.800 -0.007 0.000 2.519 994 G HA2 0.665 4.625 3.960 -0.000 0.000 0.307 994 G HA3 0.665 4.625 3.960 -0.000 0.000 0.307 994 G C 0.061 174.981 174.900 0.033 0.000 1.266 994 G CA -0.494 44.605 45.100 -0.002 0.000 0.970 994 G HN 1.018 nan 8.290 nan 0.000 0.481 995 A N 0.524 123.357 122.820 0.022 0.000 1.852 995 A HA 0.522 4.842 4.320 -0.000 0.000 0.205 995 A C 2.108 179.707 177.584 0.025 0.000 1.757 995 A CA 1.437 53.535 52.037 0.102 0.000 1.088 995 A CB -0.398 18.677 19.000 0.125 0.000 1.079 995 A HN 1.231 nan 8.150 nan 0.000 0.524 996 G N -0.754 107.869 108.800 -0.296 0.000 2.464 996 G HA2 0.249 4.209 3.960 -0.000 0.000 0.217 996 G HA3 0.249 4.209 3.960 -0.000 0.000 0.217 996 G C 0.593 175.330 174.900 -0.272 0.000 1.138 996 G CA 1.382 46.058 45.100 -0.707 0.000 0.793 996 G HN 0.767 nan 8.290 nan 0.000 0.539 997 S N -0.794 114.843 115.700 -0.104 0.000 2.571 997 S HA 0.488 4.958 4.470 -0.000 0.000 0.238 997 S C 1.098 175.731 174.600 0.056 0.000 1.153 997 S CA 0.165 58.370 58.200 0.008 0.000 1.141 997 S CB 0.698 63.891 63.200 -0.013 0.000 1.133 997 S HN 0.253 nan 8.310 nan 0.000 0.464 998 G N 2.432 111.298 108.800 0.110 0.000 2.534 998 G HA2 0.106 4.065 3.960 -0.000 0.000 0.217 998 G HA3 0.106 4.065 3.960 -0.000 0.000 0.217 998 G C 1.450 176.407 174.900 0.096 0.000 1.128 998 G CA 0.668 45.825 45.100 0.096 0.000 0.784 998 G HN 0.858 nan 8.290 nan 0.000 0.542 999 A N 0.619 123.521 122.820 0.136 0.000 1.972 999 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 999 A C 2.256 179.825 177.584 -0.025 0.000 1.169 999 A CA 1.802 53.897 52.037 0.097 0.000 0.635 999 A CB -0.362 18.695 19.000 0.096 0.000 0.810 999 A HN 0.436 nan 8.150 nan 0.000 0.446 1000 Q N -0.334 119.455 119.800 -0.019 0.000 2.096 1000 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 1000 Q C 1.855 177.714 176.000 -0.236 0.000 0.982 1000 Q CA 1.906 57.506 55.803 -0.338 0.000 0.850 1000 Q CB -0.304 28.297 28.738 -0.229 0.000 0.901 1000 Q HN 0.824 nan 8.270 nan 0.000 0.422 1001 N N 0.470 119.110 118.700 -0.100 0.000 2.166 1001 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 1001 N C 1.571 177.068 175.510 -0.022 0.000 1.019 1001 N CA 1.221 54.238 53.050 -0.055 0.000 0.856 1001 N CB -0.212 38.266 38.487 -0.016 0.000 0.993 1001 N HN 0.238 nan 8.380 nan 0.000 0.426 1002 A N 0.409 123.237 122.820 0.014 0.000 1.972 1002 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 1002 A C 2.226 179.904 177.584 0.157 0.000 1.169 1002 A CA 1.110 53.216 52.037 0.115 0.000 0.635 1002 A CB -0.634 18.522 19.000 0.259 0.000 0.810 1002 A HN 0.110 nan 8.150 nan 0.000 0.446 1003 V N -0.322 119.603 119.914 0.017 0.000 2.239 1003 V HA -0.100 4.019 4.120 -0.000 0.000 0.242 1003 V C 2.854 178.986 176.094 0.063 0.000 1.038 1003 V CA 1.966 64.298 62.300 0.054 0.000 1.002 1003 V CB -1.610 30.090 31.823 -0.206 0.000 0.641 1003 V HN 0.531 nan 8.190 nan 0.000 0.449 1004 G N -0.399 108.373 108.800 -0.047 0.000 2.422 1004 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 1004 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 1004 G C 1.663 176.579 174.900 0.027 0.000 1.146 1004 G CA 1.496 46.572 45.100 -0.040 0.000 0.769 1004 G HN 0.472 nan 8.290 nan 0.000 0.547 1005 T N 0.960 115.534 114.554 0.032 0.000 2.803 1005 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 1005 T C 2.451 177.214 174.700 0.105 0.000 1.052 1005 T CA 1.403 63.530 62.100 0.044 0.000 1.136 1005 T CB -0.395 68.479 68.868 0.011 0.000 0.864 1005 T HN 0.356 nan 8.240 nan 0.000 0.467 1006 G N 0.939 109.864 108.800 0.209 0.000 2.402 1006 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 1006 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 1006 G C 1.641 176.752 174.900 0.351 0.000 1.162 1006 G CA 0.903 46.292 45.100 0.482 0.000 0.777 1006 G HN 0.466 nan 8.290 nan 0.000 0.539 1007 V N 0.656 120.714 119.914 0.239 0.000 2.273 1007 V HA -0.072 4.048 4.120 -0.000 0.000 0.242 1007 V C 2.664 178.876 176.094 0.197 0.000 1.035 1007 V CA 1.696 64.125 62.300 0.215 0.000 1.013 1007 V CB -0.754 31.218 31.823 0.248 0.000 0.652 1007 V HN 0.292 nan 8.190 nan 0.000 0.452 1008 M N 0.700 120.382 119.600 0.136 0.000 2.152 1008 M HA -0.291 4.189 4.480 -0.000 0.000 0.251 1008 M C 2.109 178.464 176.300 0.092 0.000 1.080 1008 M CA 2.642 57.997 55.300 0.090 0.000 1.079 1008 M CB -0.838 31.778 32.600 0.026 0.000 1.317 1008 M HN 0.556 nan 8.290 nan 0.000 0.404 1009 G N -1.345 107.515 108.800 0.100 0.000 2.459 1009 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 1009 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 1009 G C 1.331 176.284 174.900 0.088 0.000 1.183 1009 G CA 0.994 46.146 45.100 0.087 0.000 0.776 1009 G HN 0.620 nan 8.290 nan 0.000 0.552 1010 G N -0.389 108.481 108.800 0.116 0.000 2.471 1010 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 1010 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 1010 G C 1.727 176.658 174.900 0.052 0.000 1.125 1010 G CA 0.968 46.115 45.100 0.079 0.000 0.775 1010 G HN 0.274 nan 8.290 nan 0.000 0.548 1011 M N 0.118 119.767 119.600 0.081 0.000 2.276 1011 M HA 0.154 4.633 4.480 -0.000 0.000 0.262 1011 M C 2.775 179.109 176.300 0.057 0.000 1.098 1011 M CA 0.448 55.789 55.300 0.069 0.000 1.167 1011 M CB -0.680 32.034 32.600 0.189 0.000 1.337 1011 M HN 0.077 nan 8.290 nan 0.000 0.446 1012 V N 0.455 120.407 119.914 0.063 0.000 2.313 1012 V HA -0.332 3.787 4.120 -0.000 0.000 0.253 1012 V C 2.116 178.229 176.094 0.033 0.000 1.070 1012 V CA 2.356 64.680 62.300 0.040 0.000 1.057 1012 V CB -1.123 30.714 31.823 0.023 0.000 0.653 1012 V HN 0.480 nan 8.190 nan 0.000 0.450 1013 T N -0.941 113.629 114.554 0.028 0.000 3.067 1013 T HA 0.208 4.558 4.350 -0.000 0.000 0.257 1013 T C 1.809 176.524 174.700 0.026 0.000 1.105 1013 T CA 0.829 62.940 62.100 0.018 0.000 1.104 1013 T CB 0.093 68.967 68.868 0.010 0.000 0.925 1013 T HN 0.554 nan 8.240 nan 0.000 0.498 1014 A N 2.402 125.235 122.820 0.022 0.000 1.826 1014 A HA -0.078 4.241 4.320 -0.000 0.000 0.214 1014 A C 2.619 180.222 177.584 0.033 0.000 1.212 1014 A CA 2.110 54.154 52.037 0.011 0.000 0.605 1014 A CB -1.426 17.559 19.000 -0.025 0.000 0.861 1014 A HN 0.542 nan 8.150 nan 0.000 0.447 1015 T N -1.581 112.991 114.554 0.030 0.000 2.595 1015 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 1015 T C 0.946 175.719 174.700 0.121 0.000 1.058 1015 T CA 1.329 63.461 62.100 0.053 0.000 1.166 1015 T CB -1.207 67.678 68.868 0.028 0.000 0.863 1015 T HN 0.135 nan 8.240 nan 0.000 0.415 1016 V N 2.913 122.901 119.914 0.122 0.000 2.180 1016 V HA 0.417 4.537 4.120 -0.000 0.000 0.238 1016 V C 0.678 176.886 176.094 0.190 0.000 1.337 1016 V CA 0.488 62.904 62.300 0.194 0.000 1.338 1016 V CB -0.810 31.096 31.823 0.139 0.000 1.431 1016 V HN 0.584 nan 8.190 nan 0.000 0.498 1017 L N 2.508 123.901 121.223 0.283 0.000 1.229 1017 L HA 0.041 4.381 4.340 -0.000 0.000 0.063 1017 L C 1.780 178.802 176.870 0.253 0.000 1.500 1017 L CA 1.504 56.476 54.840 0.220 0.000 1.141 1017 L CB -0.988 41.125 42.059 0.090 0.000 2.299 1017 L HN 0.295 nan 8.230 nan 0.000 0.443 1018 A N 0.310 123.240 122.820 0.183 0.000 1.821 1018 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 1018 A C 1.917 179.606 177.584 0.175 0.000 1.214 1018 A CA 2.170 54.288 52.037 0.135 0.000 0.608 1018 A CB -0.910 18.125 19.000 0.057 0.000 0.862 1018 A HN 0.521 nan 8.150 nan 0.000 0.448 1019 I N -2.009 118.665 120.570 0.172 0.000 2.300 1019 I HA -0.186 3.984 4.170 -0.000 0.000 0.252 1019 I C 1.295 177.718 176.117 0.509 0.000 1.119 1019 I CA 1.370 62.796 61.300 0.212 0.000 1.384 1019 I CB -0.070 38.019 38.000 0.149 0.000 1.062 1019 I HN 0.448 nan 8.210 nan 0.000 0.426 1020 F N -2.124 118.049 119.950 0.371 0.000 2.873 1020 F HA 0.188 4.715 4.527 -0.000 0.000 0.308 1020 F C 1.459 177.450 175.800 0.319 0.000 1.354 1020 F CA -1.075 57.162 58.000 0.395 0.000 1.037 1020 F CB 0.177 39.460 39.000 0.472 0.000 1.860 1020 F HN -0.072 nan 8.300 nan 0.000 0.479 1021 F N 0.647 120.544 119.950 -0.088 0.000 2.892 1021 F HA -0.373 4.154 4.527 -0.000 0.000 0.269 1021 F C 0.796 176.514 175.800 -0.137 0.000 1.343 1021 F CA 1.564 59.464 58.000 -0.168 0.000 1.631 1021 F CB -1.746 37.169 39.000 -0.141 0.000 0.680 1021 F HN -0.021 nan 8.300 nan 0.000 0.503 1022 V N 1.374 121.390 119.914 0.171 0.000 3.036 1022 V HA 0.182 4.302 4.120 -0.000 0.000 0.308 1022 V C -1.364 174.740 176.094 0.017 0.000 1.070 1022 V CA -1.752 60.538 62.300 -0.017 0.000 1.056 1022 V CB 1.240 33.130 31.823 0.113 0.000 1.084 1022 V HN 0.113 nan 8.190 nan 0.000 0.471 1023 P HA -0.256 nan 4.420 nan 0.000 0.291 1023 P C 0.437 177.846 177.300 0.181 0.000 1.864 1023 P CA 2.042 65.191 63.100 0.082 0.000 1.676 1023 P CB -0.151 31.504 31.700 -0.076 0.000 0.342 1024 V N -3.840 116.129 119.914 0.091 0.000 5.325 1024 V HA -0.266 3.854 4.120 -0.000 0.000 0.291 1024 V C 0.873 176.945 176.094 -0.037 0.000 0.541 1024 V CA 1.850 64.143 62.300 -0.012 0.000 0.687 1024 V CB -2.935 28.855 31.823 -0.055 0.000 0.491 1024 V HN 0.637 nan 8.190 nan 0.000 1.145 1025 F N -4.286 115.755 119.950 0.153 0.000 1.692 1025 F HA -0.108 4.419 4.527 -0.000 0.000 0.287 1025 F C 1.348 177.223 175.800 0.126 0.000 1.241 1025 F CA 0.277 58.365 58.000 0.146 0.000 1.255 1025 F CB -0.696 38.418 39.000 0.190 0.000 2.008 1025 F HN 0.132 nan 8.300 nan 0.000 0.119 1026 F N 2.043 122.114 119.950 0.202 0.000 2.269 1026 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 1026 F C 2.196 178.023 175.800 0.046 0.000 1.082 1026 F CA 1.737 59.780 58.000 0.072 0.000 1.360 1026 F CB -0.783 38.231 39.000 0.025 0.000 1.041 1026 F HN -0.046 nan 8.300 nan 0.000 0.512 1027 V N -1.823 118.218 119.914 0.211 0.000 2.232 1027 V HA -0.256 3.864 4.120 -0.000 0.000 0.237 1027 V C 2.248 178.399 176.094 0.095 0.000 1.035 1027 V CA 1.727 64.088 62.300 0.102 0.000 0.988 1027 V CB -1.694 30.159 31.823 0.049 0.000 0.636 1027 V HN 0.110 nan 8.190 nan 0.000 0.456 1028 V N 0.452 120.422 119.914 0.094 0.000 2.311 1028 V HA -0.326 3.794 4.120 -0.000 0.000 0.259 1028 V C 2.510 178.655 176.094 0.085 0.000 1.086 1028 V CA 2.374 64.713 62.300 0.064 0.000 1.078 1028 V CB -1.627 30.258 31.823 0.104 0.000 0.668 1028 V HN 0.445 nan 8.190 nan 0.000 0.452 1029 V N 1.682 121.690 119.914 0.158 0.000 2.214 1029 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 1029 V C 2.508 178.714 176.094 0.187 0.000 1.051 1029 V CA 2.896 65.322 62.300 0.209 0.000 1.003 1029 V CB -0.821 31.018 31.823 0.026 0.000 0.635 1029 V HN 0.770 nan 8.190 nan 0.000 0.447 1030 R N 0.044 120.602 120.500 0.097 0.000 2.335 1030 R HA 0.138 4.478 4.340 -0.000 0.000 0.223 1030 R C 1.717 178.035 176.300 0.029 0.000 0.940 1030 R CA 0.369 56.511 56.100 0.071 0.000 1.086 1030 R CB -0.126 30.211 30.300 0.062 0.000 1.073 1030 R HN 0.421 nan 8.270 nan 0.000 0.504 1031 R N -0.373 120.130 120.500 0.005 0.000 2.215 1031 R HA 0.205 4.545 4.340 -0.000 0.000 0.190 1031 R C 1.659 177.895 176.300 -0.107 0.000 0.968 1031 R CA -0.228 55.843 56.100 -0.049 0.000 1.122 1031 R CB -0.223 30.078 30.300 0.001 0.000 1.151 1031 R HN 0.022 nan 8.270 nan 0.000 0.582 1032 R N 0.610 120.992 120.500 -0.197 0.000 2.119 1032 R HA 0.092 4.432 4.340 -0.000 0.000 0.222 1032 R C 1.293 177.280 176.300 -0.522 0.000 1.088 1032 R CA 1.379 57.218 56.100 -0.436 0.000 0.984 1032 R CB -0.138 29.722 30.300 -0.733 0.000 0.884 1032 R HN 0.099 nan 8.270 nan 0.000 0.447 1033 F N -0.571 119.380 119.950 0.001 0.000 2.534 1033 F HA 0.125 4.652 4.527 -0.000 0.000 0.274 1033 F C 2.267 178.058 175.800 -0.014 0.000 0.917 1033 F CA 0.834 58.830 58.000 -0.008 0.000 1.145 1033 F CB -1.215 37.776 39.000 -0.015 0.000 1.145 1033 F HN -0.015 nan 8.300 nan 0.000 0.746 1034 S N 2.027 117.843 115.700 0.193 0.000 2.396 1034 S HA -0.426 4.044 4.470 -0.000 0.000 0.476 1034 S C 1.869 176.510 174.600 0.068 0.000 1.048 1034 S CA 2.498 60.753 58.200 0.093 0.000 2.784 1034 S CB -1.231 61.997 63.200 0.047 0.000 2.036 1034 S HN 0.570 nan 8.310 nan 0.000 0.520 1035 R N 2.845 123.373 120.500 0.047 0.000 2.320 1035 R HA 0.391 4.731 4.340 -0.000 0.000 0.193 1035 R C 0.457 176.779 176.300 0.035 0.000 0.885 1035 R CA 0.790 56.910 56.100 0.033 0.000 1.085 1035 R CB 0.020 30.329 30.300 0.015 0.000 1.253 1035 R HN 0.716 nan 8.270 nan 0.000 0.636 1036 K N 0.000 120.414 120.400 0.023 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.298 56.287 0.019 0.000 0.838 1036 K CB 0.000 32.503 32.500 0.005 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543