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 1oye_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 0.000 176.301 176.300 0.002 0.000 2.045 7 D CA 0.000 54.015 54.000 0.025 0.000 0.868 7 D CB 0.000 40.827 40.800 0.045 0.000 0.688 8 R N 1.289 121.787 120.500 -0.004 0.000 2.574 8 R HA 0.477 4.817 4.340 -0.000 0.000 0.288 8 R C -2.186 174.037 176.300 -0.129 0.000 1.004 8 R CA -1.371 54.672 56.100 -0.095 0.000 0.895 8 R CB 3.184 33.421 30.300 -0.105 0.000 1.191 8 R HN -0.016 nan 8.270 nan 0.000 0.444 9 P HA -0.056 nan 4.420 nan 0.000 0.200 9 P C 1.378 178.555 177.300 -0.205 0.000 1.048 9 P CA 0.314 63.283 63.100 -0.218 0.000 0.734 9 P CB -0.103 31.382 31.700 -0.358 0.000 0.648 10 I N -1.117 119.279 120.570 -0.291 0.000 3.917 10 I HA -0.393 3.777 4.170 -0.000 0.000 0.149 10 I C 2.195 178.328 176.117 0.026 0.000 0.698 10 I CA 2.272 63.455 61.300 -0.194 0.000 0.967 10 I CB -2.651 35.128 38.000 -0.370 0.000 0.796 10 I HN 0.085 nan 8.210 nan 0.000 0.265 11 F N 1.760 121.759 119.950 0.082 0.000 2.146 11 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 11 F C 2.955 178.817 175.800 0.103 0.000 1.096 11 F CA 1.323 59.370 58.000 0.078 0.000 1.275 11 F CB -0.760 38.270 39.000 0.050 0.000 1.008 11 F HN 0.351 nan 8.300 nan 0.000 0.480 12 A N -0.269 122.714 122.820 0.272 0.000 1.902 12 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 12 A C 1.830 179.564 177.584 0.250 0.000 1.181 12 A CA 1.353 53.526 52.037 0.226 0.000 0.623 12 A CB -1.247 17.878 19.000 0.208 0.000 0.818 12 A HN 0.541 nan 8.150 nan 0.000 0.443 13 W N -0.573 120.743 121.300 0.027 0.000 2.519 13 W HA 0.024 4.684 4.660 -0.000 0.000 0.266 13 W C 2.096 178.635 176.519 0.033 0.000 1.253 13 W CA 1.181 58.537 57.345 0.018 0.000 1.274 13 W CB -0.153 29.305 29.460 -0.003 0.000 1.114 13 W HN 0.139 nan 8.180 nan 0.000 0.596 14 V N -0.190 119.874 119.914 0.250 0.000 2.878 14 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 14 V C 2.057 178.215 176.094 0.107 0.000 1.075 14 V CA 0.770 63.173 62.300 0.171 0.000 1.096 14 V CB -0.362 31.576 31.823 0.191 0.000 0.724 14 V HN -0.004 nan 8.190 nan 0.000 0.467 15 I N 1.008 121.642 120.570 0.106 0.000 2.226 15 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 15 I C 2.632 178.758 176.117 0.015 0.000 1.100 15 I CA 1.947 63.282 61.300 0.058 0.000 1.374 15 I CB -1.043 36.996 38.000 0.065 0.000 1.057 15 I HN 0.342 nan 8.210 nan 0.000 0.413 16 A N 0.578 123.390 122.820 -0.013 0.000 2.015 16 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 16 A C 2.259 179.801 177.584 -0.071 0.000 1.163 16 A CA 1.020 53.009 52.037 -0.081 0.000 0.646 16 A CB -0.564 18.318 19.000 -0.197 0.000 0.806 16 A HN 0.385 nan 8.150 nan 0.000 0.448 17 I N -0.639 119.913 120.570 -0.030 0.000 2.761 17 I HA -0.143 4.027 4.170 -0.000 0.000 0.261 17 I C 2.051 178.169 176.117 0.001 0.000 1.198 17 I CA 0.606 61.900 61.300 -0.010 0.000 1.482 17 I CB -0.119 37.902 38.000 0.034 0.000 1.100 17 I HN 0.281 nan 8.210 nan 0.000 0.445 18 I N 0.662 121.236 120.570 0.006 0.000 2.286 18 I HA -0.298 3.871 4.170 -0.000 0.000 0.248 18 I C 2.221 178.334 176.117 -0.006 0.000 1.115 18 I CA 1.686 62.988 61.300 0.003 0.000 1.392 18 I CB -0.101 37.902 38.000 0.005 0.000 1.065 18 I HN 0.151 nan 8.210 nan 0.000 0.418 19 I N -0.365 120.196 120.570 -0.015 0.000 2.761 19 I HA -0.211 3.958 4.170 -0.000 0.000 0.261 19 I C 2.272 178.384 176.117 -0.008 0.000 1.198 19 I CA 0.467 61.758 61.300 -0.016 0.000 1.482 19 I CB -0.198 37.784 38.000 -0.030 0.000 1.100 19 I HN 0.209 nan 8.210 nan 0.000 0.445 20 M N 0.227 119.817 119.600 -0.016 0.000 2.175 20 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 20 M C 2.214 178.516 176.300 0.003 0.000 1.063 20 M CA 1.810 57.104 55.300 -0.010 0.000 1.119 20 M CB -0.779 31.808 32.600 -0.021 0.000 1.377 20 M HN 0.251 nan 8.290 nan 0.000 0.415 21 L N -0.624 120.600 121.223 0.001 0.000 2.046 21 L HA 0.013 4.353 4.340 -0.000 0.000 0.203 21 L C 2.752 179.624 176.870 0.003 0.000 1.111 21 L CA 0.843 55.684 54.840 0.001 0.000 0.769 21 L CB -1.460 40.599 42.059 0.000 0.000 0.914 21 L HN 0.193 nan 8.230 nan 0.000 0.448 22 A N 0.754 123.575 122.820 0.000 0.000 1.984 22 A HA -0.292 4.027 4.320 -0.000 0.000 0.224 22 A C 2.251 179.846 177.584 0.019 0.000 1.256 22 A CA 2.575 54.611 52.037 -0.001 0.000 0.679 22 A CB -1.626 17.367 19.000 -0.011 0.000 0.829 22 A HN 0.614 nan 8.150 nan 0.000 0.483 23 G N -1.564 107.263 108.800 0.046 0.000 2.424 23 G HA2 0.147 4.107 3.960 -0.000 0.000 0.214 23 G HA3 0.147 4.107 3.960 -0.000 0.000 0.214 23 G C 1.528 176.484 174.900 0.094 0.000 1.202 23 G CA 1.084 46.258 45.100 0.123 0.000 0.793 23 G HN 0.885 nan 8.290 nan 0.000 0.534 24 G N 0.380 109.208 108.800 0.047 0.000 2.509 24 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.218 24 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.218 24 G C 1.583 176.452 174.900 -0.053 0.000 1.124 24 G CA 0.808 45.896 45.100 -0.019 0.000 0.776 24 G HN 0.381 nan 8.290 nan 0.000 0.547 25 L N 0.647 121.851 121.223 -0.030 0.000 2.209 25 L HA 0.293 4.632 4.340 -0.000 0.000 0.207 25 L C 2.577 179.419 176.870 -0.047 0.000 1.094 25 L CA 1.930 56.749 54.840 -0.035 0.000 0.790 25 L CB -1.002 41.045 42.059 -0.020 0.000 0.932 25 L HN 0.223 nan 8.230 nan 0.000 0.447 26 A N 0.229 123.025 122.820 -0.041 0.000 2.015 26 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 26 A C 2.129 179.645 177.584 -0.113 0.000 1.163 26 A CA 1.494 53.504 52.037 -0.045 0.000 0.646 26 A CB -0.574 18.431 19.000 0.008 0.000 0.806 26 A HN 0.436 nan 8.150 nan 0.000 0.448 27 I N -0.498 119.951 120.570 -0.202 0.000 2.439 27 I HA -0.110 4.060 4.170 -0.000 0.000 0.251 27 I C 1.509 177.526 176.117 -0.167 0.000 1.139 27 I CA 1.021 62.144 61.300 -0.294 0.000 1.438 27 I CB -0.062 37.681 38.000 -0.428 0.000 1.085 27 I HN 0.256 nan 8.210 nan 0.000 0.427 28 L N -0.013 121.142 121.223 -0.113 0.000 2.645 28 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 28 L C 0.972 177.809 176.870 -0.055 0.000 1.165 28 L CA 0.357 55.152 54.840 -0.075 0.000 0.944 28 L CB -0.338 41.687 42.059 -0.058 0.000 1.149 28 L HN 0.041 nan 8.230 nan 0.000 0.446 29 K N 1.003 121.369 120.400 -0.057 0.000 3.506 29 K HA 0.314 4.634 4.320 -0.000 0.000 0.166 29 K C -1.411 175.171 176.600 -0.030 0.000 1.003 29 K CA -0.167 56.098 56.287 -0.036 0.000 0.832 29 K CB 0.810 33.293 32.500 -0.028 0.000 0.733 29 K HN 0.088 nan 8.250 nan 0.000 0.471 30 L N 1.131 122.331 121.223 -0.037 0.000 2.565 30 L HA 0.482 4.822 4.340 -0.000 0.000 0.261 30 L C -2.567 174.292 176.870 -0.019 0.000 0.932 30 L CA -1.234 53.594 54.840 -0.020 0.000 0.878 30 L CB 1.806 43.852 42.059 -0.022 0.000 1.333 30 L HN 0.023 nan 8.230 nan 0.000 0.409 31 P HA -0.041 nan 4.420 nan 0.000 0.255 31 P C 0.620 177.916 177.300 -0.008 0.000 1.161 31 P CA 0.081 63.184 63.100 0.004 0.000 0.768 31 P CB 0.373 32.088 31.700 0.024 0.000 0.746 32 V N 0.820 120.721 119.914 -0.023 0.000 3.646 32 V HA 0.150 4.269 4.120 -0.000 0.000 0.277 32 V C 1.313 177.385 176.094 -0.036 0.000 1.274 32 V CA 0.197 62.475 62.300 -0.038 0.000 1.164 32 V CB -1.418 30.376 31.823 -0.048 0.000 0.926 32 V HN 0.573 nan 8.190 nan 0.000 0.442 33 A N 0.393 123.202 122.820 -0.018 0.000 2.387 33 A HA 0.341 4.661 4.320 -0.000 0.000 0.251 33 A C 0.904 178.454 177.584 -0.056 0.000 1.113 33 A CA -0.077 51.952 52.037 -0.014 0.000 0.794 33 A CB 0.112 19.122 19.000 0.017 0.000 1.069 33 A HN 0.415 nan 8.150 nan 0.000 0.506 34 Q N -1.016 118.752 119.800 -0.053 0.000 2.870 34 Q HA 0.102 4.442 4.340 -0.000 0.000 0.189 34 Q C -0.443 175.476 176.000 -0.135 0.000 1.161 34 Q CA 0.306 56.002 55.803 -0.177 0.000 1.248 34 Q CB -0.306 28.402 28.738 -0.049 0.000 1.302 34 Q HN 0.583 nan 8.270 nan 0.000 0.693 35 Y N 0.324 120.603 120.300 -0.034 0.000 3.137 35 Y HA -0.137 4.413 4.550 -0.000 0.000 0.348 35 Y C -1.577 174.296 175.900 -0.045 0.000 1.275 35 Y CA -0.822 57.241 58.100 -0.062 0.000 1.516 35 Y CB -1.429 37.002 38.460 -0.048 0.000 1.268 35 Y HN 0.413 nan 8.280 nan 0.000 0.644 36 P HA 0.069 nan 4.420 nan 0.000 0.286 36 P C -0.458 176.870 177.300 0.047 0.000 1.293 36 P CA -0.520 62.600 63.100 0.034 0.000 0.770 36 P CB 0.455 32.127 31.700 -0.046 0.000 1.206 37 T N 0.551 115.122 114.554 0.029 0.000 2.851 37 T HA 0.236 4.586 4.350 -0.000 0.000 0.298 37 T C 1.074 175.783 174.700 0.015 0.000 0.977 37 T CA 0.365 62.481 62.100 0.026 0.000 1.126 37 T CB -0.219 68.664 68.868 0.026 0.000 0.916 37 T HN 0.211 nan 8.240 nan 0.000 0.529 38 I N 2.042 122.618 120.570 0.011 0.000 3.746 38 I HA 0.366 4.536 4.170 -0.000 0.000 0.262 38 I C 1.315 177.438 176.117 0.010 0.000 1.153 38 I CA -0.384 60.921 61.300 0.008 0.000 1.395 38 I CB -0.934 37.061 38.000 -0.008 0.000 1.589 38 I HN 0.558 nan 8.210 nan 0.000 0.441 39 A N 3.688 126.508 122.820 -0.001 0.000 2.561 39 A HA 0.273 4.592 4.320 -0.000 0.000 0.251 39 A C -2.142 175.453 177.584 0.019 0.000 1.062 39 A CA -0.560 51.479 52.037 0.003 0.000 0.761 39 A CB -1.280 17.718 19.000 -0.002 0.000 0.986 39 A HN 0.133 nan 8.150 nan 0.000 0.510 40 P HA 0.103 nan 4.420 nan 0.000 0.260 40 P C -2.422 174.903 177.300 0.042 0.000 1.172 40 P CA -0.219 62.906 63.100 0.041 0.000 0.760 40 P CB -0.172 31.552 31.700 0.042 0.000 0.773 41 P HA 0.252 nan 4.420 nan 0.000 0.271 41 P C -0.801 176.503 177.300 0.006 0.000 1.220 41 P CA 0.251 63.342 63.100 -0.015 0.000 0.768 41 P CB 0.669 32.322 31.700 -0.078 0.000 0.848 42 A N 3.019 125.843 122.820 0.007 0.000 2.423 42 A HA 0.739 5.059 4.320 -0.000 0.000 0.304 42 A C -1.031 176.560 177.584 0.011 0.000 1.104 42 A CA -0.647 51.440 52.037 0.083 0.000 0.757 42 A CB 1.385 20.446 19.000 0.101 0.000 1.313 42 A HN 0.319 nan 8.150 nan 0.000 0.423 43 V N 0.542 120.502 119.914 0.077 0.000 2.769 43 V HA 0.687 4.807 4.120 -0.000 0.000 0.312 43 V C -0.335 175.798 176.094 0.066 0.000 1.061 43 V CA -0.414 61.907 62.300 0.035 0.000 0.931 43 V CB 2.237 34.073 31.823 0.021 0.000 1.010 43 V HN 0.935 nan 8.190 nan 0.000 0.433 44 T N 4.958 119.534 114.554 0.036 0.000 2.833 44 T HA 0.596 4.946 4.350 -0.000 0.000 0.297 44 T C -0.227 174.486 174.700 0.023 0.000 1.015 44 T CA -0.194 61.928 62.100 0.036 0.000 0.963 44 T CB 0.745 69.633 68.868 0.033 0.000 0.955 44 T HN 0.366 nan 8.240 nan 0.000 0.449 45 I N 2.490 123.074 120.570 0.023 0.000 2.720 45 I HA 0.413 4.583 4.170 -0.000 0.000 0.287 45 I C 0.559 176.681 176.117 0.008 0.000 1.090 45 I CA -0.190 61.118 61.300 0.012 0.000 1.384 45 I CB 0.943 38.949 38.000 0.010 0.000 1.420 45 I HN 0.574 nan 8.210 nan 0.000 0.575 46 S N 3.027 118.727 115.700 -0.000 0.000 2.627 46 S HA 0.934 5.404 4.470 -0.000 0.000 0.283 46 S C -0.924 173.671 174.600 -0.008 0.000 1.127 46 S CA -0.799 57.399 58.200 -0.003 0.000 0.863 46 S CB 2.306 65.501 63.200 -0.008 0.000 1.121 46 S HN 0.870 nan 8.310 nan 0.000 0.479 47 A N 0.661 123.478 122.820 -0.005 0.000 2.590 47 A HA 0.797 5.117 4.320 -0.000 0.000 0.296 47 A C -1.101 176.491 177.584 0.014 0.000 1.050 47 A CA -0.552 51.482 52.037 -0.005 0.000 0.697 47 A CB 1.382 20.377 19.000 -0.008 0.000 1.277 47 A HN 0.624 nan 8.150 nan 0.000 0.411 48 S N 0.088 115.801 115.700 0.022 0.000 2.547 48 S HA 0.719 5.189 4.470 -0.000 0.000 0.281 48 S C -1.710 172.970 174.600 0.134 0.000 1.118 48 S CA -0.256 57.981 58.200 0.063 0.000 0.947 48 S CB 1.143 64.366 63.200 0.038 0.000 1.053 48 S HN 0.910 nan 8.310 nan 0.000 0.482 49 Y N 5.385 125.686 120.300 0.002 0.000 2.535 49 Y HA 0.346 4.895 4.550 -0.000 0.000 0.341 49 Y C -2.523 173.393 175.900 0.028 0.000 1.041 49 Y CA -2.697 55.410 58.100 0.011 0.000 1.307 49 Y CB 1.285 39.748 38.460 0.005 0.000 1.095 49 Y HN 0.452 nan 8.280 nan 0.000 0.534 50 P HA 0.079 nan 4.420 nan 0.000 0.261 50 P C 0.728 178.010 177.300 -0.029 0.000 1.203 50 P CA 1.993 65.151 63.100 0.098 0.000 0.767 50 P CB 1.037 32.849 31.700 0.187 0.000 0.785 51 G N 2.991 111.749 108.800 -0.071 0.000 2.475 51 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.209 51 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.209 51 G C 0.403 175.185 174.900 -0.198 0.000 1.127 51 G CA 0.022 45.055 45.100 -0.113 0.000 0.681 51 G HN 0.815 nan 8.290 nan 0.000 0.517 52 A N 2.144 124.723 122.820 -0.402 0.000 2.603 52 A HA 0.410 4.730 4.320 -0.000 0.000 0.235 52 A C 0.836 178.322 177.584 -0.164 0.000 1.035 52 A CA 1.329 53.122 52.037 -0.407 0.000 0.755 52 A CB -0.168 18.466 19.000 -0.609 0.000 0.954 52 A HN 1.044 nan 8.150 nan 0.000 0.511 53 D N 1.449 121.781 120.400 -0.114 0.000 2.506 53 D HA 0.445 5.085 4.640 -0.000 0.000 0.272 53 D C 1.118 177.406 176.300 -0.020 0.000 1.214 53 D CA 0.029 53.999 54.000 -0.049 0.000 1.067 53 D CB 1.206 41.981 40.800 -0.041 0.000 1.117 53 D HN 0.425 nan 8.370 nan 0.000 0.578 54 A N -0.031 122.789 122.820 0.001 0.000 1.972 54 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 54 A C 2.006 179.595 177.584 0.009 0.000 1.169 54 A CA 1.481 53.523 52.037 0.008 0.000 0.635 54 A CB -0.425 18.582 19.000 0.012 0.000 0.810 54 A HN 0.451 nan 8.150 nan 0.000 0.446 55 K N -0.732 119.675 120.400 0.012 0.000 2.186 55 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 55 K C 2.014 178.629 176.600 0.024 0.000 1.052 55 K CA 1.506 57.803 56.287 0.018 0.000 0.965 55 K CB -0.536 31.979 32.500 0.024 0.000 0.746 55 K HN 0.442 nan 8.250 nan 0.000 0.457 56 T N 0.700 115.265 114.554 0.018 0.000 2.643 56 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 56 T C 1.928 176.689 174.700 0.102 0.000 1.045 56 T CA 1.840 63.967 62.100 0.044 0.000 1.155 56 T CB -0.469 68.392 68.868 -0.013 0.000 0.863 56 T HN 0.143 nan 8.240 nan 0.000 0.420 57 V N 0.838 120.815 119.914 0.105 0.000 2.594 57 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 57 V C 2.404 178.541 176.094 0.071 0.000 1.069 57 V CA 1.725 64.104 62.300 0.132 0.000 1.082 57 V CB -0.992 30.900 31.823 0.116 0.000 0.680 57 V HN 0.332 nan 8.190 nan 0.000 0.469 58 Q N 2.108 121.935 119.800 0.044 0.000 2.234 58 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 58 Q C 1.079 177.092 176.000 0.023 0.000 0.980 58 Q CA 2.276 58.093 55.803 0.024 0.000 0.869 58 Q CB -0.096 28.648 28.738 0.010 0.000 0.912 58 Q HN 1.045 nan 8.270 nan 0.000 0.436 59 D N -3.097 117.322 120.400 0.032 0.000 2.651 59 D HA 0.071 4.710 4.640 -0.000 0.000 0.280 59 D C 0.616 176.932 176.300 0.027 0.000 1.496 59 D CA 0.025 54.039 54.000 0.024 0.000 0.792 59 D CB -0.087 40.725 40.800 0.020 0.000 1.144 59 D HN -0.040 nan 8.370 nan 0.000 0.470 60 T N -1.251 113.327 114.554 0.041 0.000 2.954 60 T HA 0.209 4.559 4.350 -0.000 0.000 0.252 60 T C 1.057 175.749 174.700 -0.013 0.000 0.983 60 T CA 0.838 62.954 62.100 0.027 0.000 0.941 60 T CB 0.411 69.326 68.868 0.077 0.000 1.141 60 T HN 0.007 nan 8.240 nan 0.000 0.500 61 V N 0.069 119.985 119.914 0.003 0.000 3.029 61 V HA 0.133 4.253 4.120 -0.000 0.000 0.230 61 V C 2.556 178.646 176.094 -0.007 0.000 1.254 61 V CA 0.962 63.250 62.300 -0.021 0.000 1.276 61 V CB -0.396 31.416 31.823 -0.018 0.000 1.080 61 V HN 0.282 nan 8.190 nan 0.000 0.495 62 T N 0.421 114.980 114.554 0.009 0.000 2.555 62 T HA -0.267 4.083 4.350 -0.000 0.000 0.264 62 T C 1.897 176.595 174.700 -0.003 0.000 1.083 62 T CA 2.017 64.120 62.100 0.005 0.000 1.179 62 T CB -0.357 68.518 68.868 0.011 0.000 0.863 62 T HN 0.357 nan 8.240 nan 0.000 0.412 63 Q N 0.314 120.114 119.800 -0.000 0.000 2.124 63 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 63 Q C 2.664 178.658 176.000 -0.009 0.000 0.977 63 Q CA 1.040 56.841 55.803 -0.004 0.000 0.850 63 Q CB -0.580 28.159 28.738 0.000 0.000 0.901 63 Q HN 0.374 nan 8.270 nan 0.000 0.429 64 V N 1.075 120.982 119.914 -0.011 0.000 2.332 64 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 64 V C 2.189 178.272 176.094 -0.019 0.000 1.055 64 V CA 1.553 63.843 62.300 -0.017 0.000 1.038 64 V CB -0.440 31.369 31.823 -0.023 0.000 0.651 64 V HN 0.287 nan 8.190 nan 0.000 0.450 65 I N -0.423 120.136 120.570 -0.019 0.000 2.233 65 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 65 I C 2.546 178.651 176.117 -0.020 0.000 1.093 65 I CA 1.344 62.632 61.300 -0.019 0.000 1.380 65 I CB -0.424 37.566 38.000 -0.017 0.000 1.067 65 I HN 0.324 nan 8.210 nan 0.000 0.413 66 E N 0.616 120.805 120.200 -0.020 0.000 2.171 66 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 66 E C 2.113 178.698 176.600 -0.025 0.000 0.997 66 E CA 1.107 57.492 56.400 -0.025 0.000 0.810 66 E CB -0.153 29.533 29.700 -0.023 0.000 0.738 66 E HN 0.633 nan 8.360 nan 0.000 0.467 67 Q N 0.241 120.029 119.800 -0.020 0.000 2.096 67 Q HA -0.063 4.277 4.340 -0.000 0.000 0.197 67 Q C 0.987 176.975 176.000 -0.020 0.000 0.964 67 Q CA 0.690 56.482 55.803 -0.019 0.000 0.838 67 Q CB -0.251 28.478 28.738 -0.015 0.000 0.906 67 Q HN 0.174 nan 8.270 nan 0.000 0.444 68 N N 0.182 118.870 118.700 -0.019 0.000 2.597 68 N HA 0.075 4.815 4.740 -0.000 0.000 0.269 68 N C -0.482 175.017 175.510 -0.019 0.000 1.204 68 N CA -0.165 52.874 53.050 -0.018 0.000 0.947 68 N CB 0.267 38.743 38.487 -0.017 0.000 1.258 68 N HN -0.041 nan 8.380 nan 0.000 0.508 69 M N 1.733 121.319 119.600 -0.023 0.000 3.287 69 M HA 0.265 4.745 4.480 -0.000 0.000 0.336 69 M C -1.552 174.726 176.300 -0.036 0.000 1.573 69 M CA -0.774 54.511 55.300 -0.026 0.000 0.609 69 M CB -0.401 32.181 32.600 -0.030 0.000 1.421 69 M HN 0.145 nan 8.290 nan 0.000 0.476 70 N N -1.186 117.496 118.700 -0.030 0.000 2.902 70 N HA 0.728 5.468 4.740 -0.000 0.000 0.268 70 N C 0.185 175.679 175.510 -0.026 0.000 1.450 70 N CA -0.143 52.886 53.050 -0.035 0.000 0.819 70 N CB 0.518 38.985 38.487 -0.032 0.000 1.540 70 N HN 0.321 nan 8.380 nan 0.000 0.545 71 G N -0.137 108.646 108.800 -0.027 0.000 2.298 71 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.287 71 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.287 71 G C -0.664 174.230 174.900 -0.010 0.000 1.075 71 G CA 0.379 45.468 45.100 -0.017 0.000 0.960 71 G HN 0.601 nan 8.290 nan 0.000 0.502 72 I N -0.481 120.076 120.570 -0.021 0.000 2.689 72 I HA 0.373 4.543 4.170 -0.000 0.000 0.299 72 I C -0.795 175.317 176.117 -0.008 0.000 1.059 72 I CA -1.180 60.119 61.300 -0.001 0.000 1.055 72 I CB 1.990 39.986 38.000 -0.006 0.000 1.243 72 I HN -0.098 nan 8.210 nan 0.000 0.425 73 D N 4.891 125.318 120.400 0.045 0.000 2.210 73 D HA 0.259 4.899 4.640 -0.000 0.000 0.249 73 D C -0.403 175.947 176.300 0.083 0.000 1.078 73 D CA 0.064 54.092 54.000 0.047 0.000 0.875 73 D CB 0.828 41.663 40.800 0.059 0.000 1.175 73 D HN 0.432 nan 8.370 nan 0.000 0.440 74 N N 1.097 119.814 118.700 0.028 0.000 3.107 74 N HA -0.194 4.546 4.740 -0.000 0.000 0.284 74 N C -1.499 173.909 175.510 -0.170 0.000 1.807 74 N CA 0.274 53.340 53.050 0.026 0.000 1.776 74 N CB -0.234 38.350 38.487 0.162 0.000 0.810 74 N HN 0.277 nan 8.380 nan 0.000 0.519 75 L N 3.286 124.359 121.223 -0.251 0.000 2.982 75 L HA 0.198 4.538 4.340 -0.000 0.000 0.262 75 L C 0.504 177.202 176.870 -0.286 0.000 0.932 75 L CA -0.359 54.205 54.840 -0.460 0.000 1.058 75 L CB 1.444 43.203 42.059 -0.499 0.000 1.665 75 L HN 0.601 nan 8.230 nan 0.000 0.499 76 M N 3.644 123.044 119.600 -0.333 0.000 2.552 76 M HA 0.396 4.876 4.480 -0.000 0.000 0.264 76 M C -0.367 175.898 176.300 -0.058 0.000 1.159 76 M CA 0.498 55.699 55.300 -0.167 0.000 1.176 76 M CB 0.171 32.711 32.600 -0.099 0.000 1.327 76 M HN 0.456 nan 8.290 nan 0.000 0.481 77 Y N -0.213 119.995 120.300 -0.153 0.000 2.713 77 Y HA 0.747 5.297 4.550 -0.000 0.000 0.335 77 Y C -1.133 174.595 175.900 -0.287 0.000 1.222 77 Y CA -2.520 55.450 58.100 -0.217 0.000 1.061 77 Y CB 0.712 39.053 38.460 -0.199 0.000 1.314 77 Y HN 0.141 nan 8.280 nan 0.000 0.453 78 M N 2.012 121.534 119.600 -0.130 0.000 2.727 78 M HA 0.963 5.443 4.480 -0.000 0.000 0.300 78 M C -1.214 174.908 176.300 -0.296 0.000 1.246 78 M CA -0.373 54.835 55.300 -0.152 0.000 0.835 78 M CB 2.734 35.246 32.600 -0.146 0.000 1.755 78 M HN 1.187 nan 8.290 nan 0.000 0.473 79 S N 0.560 116.170 115.700 -0.151 0.000 2.656 79 S HA 0.906 5.376 4.470 -0.000 0.000 0.273 79 S C -1.020 173.563 174.600 -0.028 0.000 1.168 79 S CA -0.068 58.058 58.200 -0.124 0.000 0.817 79 S CB 1.552 64.734 63.200 -0.030 0.000 1.146 79 S HN 1.513 nan 8.310 nan 0.000 0.475 80 S N 0.751 116.456 115.700 0.008 0.000 2.547 80 S HA 0.680 5.150 4.470 -0.000 0.000 0.270 80 S C -2.361 172.258 174.600 0.031 0.000 1.150 80 S CA -0.825 57.385 58.200 0.017 0.000 0.850 80 S CB 1.476 64.678 63.200 0.003 0.000 1.118 80 S HN 0.732 nan 8.310 nan 0.000 0.461 81 N N 1.792 120.512 118.700 0.032 0.000 2.549 81 N HA 0.397 5.137 4.740 -0.000 0.000 0.281 81 N C -1.579 173.947 175.510 0.026 0.000 1.084 81 N CA -0.474 52.596 53.050 0.033 0.000 0.862 81 N CB 1.975 40.492 38.487 0.050 0.000 1.333 81 N HN 0.633 nan 8.380 nan 0.000 0.523 82 S N 0.989 116.699 115.700 0.016 0.000 2.474 82 S HA 0.339 4.809 4.470 -0.000 0.000 0.320 82 S C -0.133 174.477 174.600 0.016 0.000 1.067 82 S CA -0.920 57.290 58.200 0.017 0.000 1.127 82 S CB 1.295 64.502 63.200 0.012 0.000 0.971 82 S HN 0.308 nan 8.310 nan 0.000 0.472 83 D N 1.854 122.269 120.400 0.025 0.000 2.387 83 D HA 0.166 4.806 4.640 -0.000 0.000 0.251 83 D C 1.095 177.408 176.300 0.021 0.000 1.141 83 D CA -0.154 53.861 54.000 0.025 0.000 0.987 83 D CB 1.278 42.095 40.800 0.030 0.000 1.116 83 D HN 0.549 nan 8.370 nan 0.000 0.491 84 S N -1.331 114.383 115.700 0.023 0.000 2.558 84 S HA -0.060 4.410 4.470 -0.000 0.000 0.217 84 S C 1.349 175.955 174.600 0.010 0.000 0.975 84 S CA 0.268 58.478 58.200 0.017 0.000 0.912 84 S CB -0.042 63.176 63.200 0.030 0.000 0.776 84 S HN 0.384 nan 8.310 nan 0.000 0.526 85 T N 1.656 116.219 114.554 0.014 0.000 3.160 85 T HA 0.385 4.735 4.350 -0.000 0.000 0.257 85 T C 1.094 175.795 174.700 0.003 0.000 1.147 85 T CA 0.470 62.576 62.100 0.009 0.000 1.064 85 T CB -0.514 68.361 68.868 0.011 0.000 0.949 85 T HN 0.960 nan 8.240 nan 0.000 0.526 86 G N 2.744 111.546 108.800 0.004 0.000 2.546 86 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.285 86 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.285 86 G C -0.037 174.897 174.900 0.056 0.000 1.105 86 G CA -0.184 44.928 45.100 0.020 0.000 1.189 86 G HN 0.739 nan 8.290 nan 0.000 0.534 87 T N -2.847 111.736 114.554 0.048 0.000 3.566 87 T HA 0.546 4.896 4.350 -0.000 0.000 0.330 87 T C -0.470 174.250 174.700 0.034 0.000 0.877 87 T CA -0.153 61.969 62.100 0.038 0.000 1.030 87 T CB 1.629 70.505 68.868 0.014 0.000 1.033 87 T HN 1.413 nan 8.240 nan 0.000 0.463 88 V N 2.768 122.704 119.914 0.037 0.000 2.630 88 V HA 0.841 4.961 4.120 -0.000 0.000 0.305 88 V C -1.033 175.073 176.094 0.021 0.000 1.046 88 V CA -0.404 61.913 62.300 0.029 0.000 0.934 88 V CB 1.720 33.562 31.823 0.030 0.000 1.003 88 V HN 1.057 nan 8.190 nan 0.000 0.451 89 Q N 4.994 124.808 119.800 0.022 0.000 2.280 89 Q HA 0.420 4.760 4.340 -0.000 0.000 0.259 89 Q C -2.283 173.733 176.000 0.026 0.000 0.964 89 Q CA -0.613 55.203 55.803 0.022 0.000 0.844 89 Q CB 1.951 30.704 28.738 0.024 0.000 1.334 89 Q HN 0.650 nan 8.270 nan 0.000 0.423 90 I N 2.301 122.883 120.570 0.020 0.000 2.488 90 I HA 0.454 4.624 4.170 -0.000 0.000 0.299 90 I C -0.104 176.031 176.117 0.030 0.000 0.984 90 I CA -0.098 61.212 61.300 0.017 0.000 1.250 90 I CB 2.201 40.203 38.000 0.004 0.000 1.389 90 I HN 0.562 nan 8.210 nan 0.000 0.488 91 T N 6.336 120.910 114.554 0.034 0.000 2.841 91 T HA 0.642 4.992 4.350 -0.000 0.000 0.285 91 T C -0.734 173.989 174.700 0.038 0.000 0.991 91 T CA -0.408 61.725 62.100 0.056 0.000 0.966 91 T CB 0.871 69.789 68.868 0.083 0.000 0.962 91 T HN 0.101 nan 8.240 nan 0.000 0.438 92 L N 3.420 124.675 121.223 0.052 0.000 2.298 92 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 92 L C 0.479 177.360 176.870 0.019 0.000 1.013 92 L CA -0.342 54.476 54.840 -0.036 0.000 0.824 92 L CB 1.499 43.541 42.059 -0.029 0.000 1.221 92 L HN 0.612 nan 8.230 nan 0.000 0.418 93 T N 3.012 117.417 114.554 -0.248 0.000 2.799 93 T HA 0.627 4.977 4.350 -0.000 0.000 0.286 93 T C -0.224 174.292 174.700 -0.306 0.000 0.973 93 T CA -0.205 61.771 62.100 -0.208 0.000 1.035 93 T CB 0.687 69.280 68.868 -0.457 0.000 0.932 93 T HN 0.019 nan 8.240 nan 0.000 0.469 94 F N 0.762 120.586 119.950 -0.211 0.000 2.525 94 F HA 0.475 5.002 4.527 -0.000 0.000 0.346 94 F C 0.936 176.667 175.800 -0.115 0.000 1.072 94 F CA -1.454 56.457 58.000 -0.149 0.000 1.033 94 F CB 0.574 39.520 39.000 -0.089 0.000 1.324 94 F HN 0.331 nan 8.300 nan 0.000 0.491 95 E N -0.160 120.113 120.200 0.122 0.000 2.404 95 E HA 0.064 4.414 4.350 -0.000 0.000 0.261 95 E C -0.290 176.359 176.600 0.081 0.000 1.074 95 E CA -0.206 56.234 56.400 0.066 0.000 0.917 95 E CB 0.677 30.409 29.700 0.053 0.000 0.965 95 E HN 0.363 nan 8.360 nan 0.000 0.433 96 S N 0.245 115.983 115.700 0.063 0.000 2.533 96 S HA 0.356 4.826 4.470 -0.000 0.000 0.282 96 S C 1.092 175.737 174.600 0.075 0.000 1.304 96 S CA 0.758 58.998 58.200 0.067 0.000 1.063 96 S CB -0.129 63.114 63.200 0.072 0.000 0.881 96 S HN 0.679 nan 8.310 nan 0.000 0.493 97 G N 3.442 112.282 108.800 0.067 0.000 2.175 97 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 97 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 97 G C 0.287 175.216 174.900 0.048 0.000 0.982 97 G CA 0.208 45.348 45.100 0.067 0.000 0.641 97 G HN 0.843 nan 8.290 nan 0.000 0.527 98 T N 1.809 116.388 114.554 0.042 0.000 2.930 98 T HA 0.396 4.746 4.350 -0.000 0.000 0.306 98 T C 0.134 174.815 174.700 -0.032 0.000 1.045 98 T CA 0.169 62.284 62.100 0.025 0.000 1.134 98 T CB 0.872 69.782 68.868 0.070 0.000 0.961 98 T HN 0.208 nan 8.240 nan 0.000 0.545 99 D N 1.517 121.892 120.400 -0.042 0.000 2.417 99 D HA 0.295 4.935 4.640 -0.000 0.000 0.250 99 D C 0.846 177.055 176.300 -0.151 0.000 1.166 99 D CA -0.080 53.880 54.000 -0.068 0.000 0.881 99 D CB 0.948 41.721 40.800 -0.044 0.000 1.164 99 D HN 0.575 nan 8.370 nan 0.000 0.467 100 A N 3.533 126.264 122.820 -0.147 0.000 2.119 100 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 100 A C 1.672 179.159 177.584 -0.162 0.000 1.152 100 A CA 0.738 52.652 52.037 -0.204 0.000 0.708 100 A CB 0.052 18.966 19.000 -0.144 0.000 0.805 100 A HN 0.517 nan 8.150 nan 0.000 0.460 101 D N -0.140 120.197 120.400 -0.105 0.000 2.077 101 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 101 D C 1.753 178.007 176.300 -0.077 0.000 0.986 101 D CA 1.458 55.414 54.000 -0.074 0.000 0.829 101 D CB -0.191 40.582 40.800 -0.045 0.000 0.983 101 D HN 0.421 nan 8.370 nan 0.000 0.453 102 I N 1.275 121.799 120.570 -0.076 0.000 2.353 102 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 102 I C 2.128 178.196 176.117 -0.081 0.000 1.119 102 I CA 0.800 62.066 61.300 -0.057 0.000 1.417 102 I CB -0.397 37.584 38.000 -0.031 0.000 1.078 102 I HN -0.122 nan 8.210 nan 0.000 0.421 103 A N -0.200 122.513 122.820 -0.179 0.000 2.019 103 A HA -0.266 4.053 4.320 -0.000 0.000 0.219 103 A C 2.332 179.774 177.584 -0.236 0.000 1.164 103 A CA 1.852 53.700 52.037 -0.315 0.000 0.644 103 A CB -0.775 17.660 19.000 -0.942 0.000 0.805 103 A HN 0.664 nan 8.150 nan 0.000 0.449 104 Q N 0.076 119.760 119.800 -0.193 0.000 1.990 104 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 104 Q C 1.979 177.958 176.000 -0.035 0.000 0.980 104 Q CA 2.329 58.072 55.803 -0.100 0.000 0.832 104 Q CB -0.349 28.336 28.738 -0.088 0.000 0.897 104 Q HN 0.381 nan 8.270 nan 0.000 0.427 105 V N 1.569 121.463 119.914 -0.034 0.000 2.277 105 V HA -0.378 3.742 4.120 -0.000 0.000 0.253 105 V C 2.445 178.544 176.094 0.008 0.000 1.067 105 V CA 2.524 64.817 62.300 -0.012 0.000 1.047 105 V CB -1.017 30.798 31.823 -0.013 0.000 0.649 105 V HN 0.473 nan 8.190 nan 0.000 0.447 106 Q N -0.853 118.962 119.800 0.024 0.000 2.050 106 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 106 Q C 2.430 178.465 176.000 0.058 0.000 0.980 106 Q CA 1.827 57.660 55.803 0.050 0.000 0.840 106 Q CB -0.438 28.353 28.738 0.088 0.000 0.898 106 Q HN 0.550 nan 8.270 nan 0.000 0.424 107 V N 1.213 121.179 119.914 0.085 0.000 2.515 107 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 107 V C 2.077 178.193 176.094 0.036 0.000 1.058 107 V CA 2.235 64.582 62.300 0.078 0.000 1.064 107 V CB -0.163 31.736 31.823 0.126 0.000 0.675 107 V HN 0.485 nan 8.190 nan 0.000 0.461 108 Q N -1.176 118.637 119.800 0.023 0.000 2.282 108 Q HA 0.126 4.466 4.340 -0.000 0.000 0.206 108 Q C 0.399 176.399 176.000 0.001 0.000 0.878 108 Q CA 0.507 56.314 55.803 0.007 0.000 0.944 108 Q CB 0.118 28.857 28.738 0.001 0.000 1.100 108 Q HN 0.465 nan 8.270 nan 0.000 0.509 109 N N 0.497 119.200 118.700 0.005 0.000 2.610 109 N HA 0.185 4.925 4.740 -0.000 0.000 0.309 109 N C -0.550 174.961 175.510 0.002 0.000 1.536 109 N CA -0.015 53.036 53.050 0.001 0.000 0.954 109 N CB 1.345 39.834 38.487 0.002 0.000 1.310 109 N HN 0.250 nan 8.380 nan 0.000 0.502 110 K N -0.765 119.635 120.400 -0.000 0.000 2.469 110 K HA 0.196 4.516 4.320 -0.000 0.000 0.143 110 K C 0.974 177.570 176.600 -0.006 0.000 2.062 110 K CA -0.022 56.264 56.287 -0.002 0.000 1.292 110 K CB -0.670 31.832 32.500 0.003 0.000 2.267 110 K HN 0.021 nan 8.250 nan 0.000 0.535 111 L N 1.686 122.906 121.223 -0.005 0.000 2.013 111 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 111 L C 1.828 178.688 176.870 -0.016 0.000 1.073 111 L CA 2.269 57.103 54.840 -0.010 0.000 0.753 111 L CB -0.140 41.915 42.059 -0.008 0.000 0.890 111 L HN 0.539 nan 8.230 nan 0.000 0.432 112 Q N 0.239 120.031 119.800 -0.014 0.000 2.387 112 Q HA -0.068 4.272 4.340 -0.000 0.000 0.211 112 Q C 1.459 177.449 176.000 -0.017 0.000 0.952 112 Q CA 0.355 56.148 55.803 -0.017 0.000 0.957 112 Q CB 0.132 28.861 28.738 -0.015 0.000 1.002 112 Q HN 0.675 nan 8.270 nan 0.000 0.502 113 L N -0.968 120.246 121.223 -0.015 0.000 2.357 113 L HA 0.235 4.575 4.340 -0.000 0.000 0.211 113 L C 2.026 178.884 176.870 -0.019 0.000 1.075 113 L CA 0.660 55.491 54.840 -0.016 0.000 0.830 113 L CB -0.226 41.826 42.059 -0.013 0.000 0.996 113 L HN 0.093 nan 8.230 nan 0.000 0.467 114 A N -0.584 122.223 122.820 -0.021 0.000 2.238 114 A HA 0.010 4.329 4.320 -0.000 0.000 0.208 114 A C 2.107 179.672 177.584 -0.032 0.000 1.177 114 A CA 0.303 52.325 52.037 -0.025 0.000 0.804 114 A CB -0.194 18.791 19.000 -0.024 0.000 0.823 114 A HN 0.166 nan 8.150 nan 0.000 0.482 115 M N 0.408 119.989 119.600 -0.032 0.000 2.086 115 M HA -0.039 4.441 4.480 -0.000 0.000 0.261 115 M C -1.099 175.174 176.300 -0.045 0.000 1.067 115 M CA 1.175 56.451 55.300 -0.040 0.000 1.116 115 M CB -1.770 30.809 32.600 -0.035 0.000 1.348 115 M HN 0.129 nan 8.290 nan 0.000 0.407 116 P HA 0.058 nan 4.420 nan 0.000 0.249 116 P C 0.688 177.965 177.300 -0.038 0.000 1.241 116 P CA 0.584 63.662 63.100 -0.037 0.000 0.781 116 P CB -0.023 31.660 31.700 -0.029 0.000 1.088 117 L N -0.835 120.363 121.223 -0.040 0.000 2.741 117 L HA 0.299 4.639 4.340 -0.000 0.000 0.237 117 L C 0.356 177.194 176.870 -0.053 0.000 1.178 117 L CA 0.229 55.045 54.840 -0.039 0.000 0.973 117 L CB -0.209 41.832 42.059 -0.031 0.000 1.255 117 L HN 0.048 nan 8.230 nan 0.000 0.498 118 L N 0.314 121.495 121.223 -0.072 0.000 2.342 118 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 118 L C -2.057 174.731 176.870 -0.138 0.000 1.008 118 L CA -1.873 52.902 54.840 -0.108 0.000 0.818 118 L CB 1.939 43.929 42.059 -0.115 0.000 1.296 118 L HN -0.123 nan 8.230 nan 0.000 0.427 119 P HA -0.071 nan 4.420 nan 0.000 0.264 119 P C 0.013 177.185 177.300 -0.213 0.000 1.179 119 P CA 0.012 62.962 63.100 -0.251 0.000 0.763 119 P CB 0.396 31.764 31.700 -0.553 0.000 0.806 120 Q N 1.481 121.205 119.800 -0.128 0.000 2.297 120 Q HA -0.189 4.150 4.340 -0.000 0.000 0.204 120 Q C 0.963 176.908 176.000 -0.092 0.000 0.962 120 Q CA 1.331 57.080 55.803 -0.089 0.000 0.879 120 Q CB -0.320 28.393 28.738 -0.042 0.000 0.947 120 Q HN 0.343 nan 8.270 nan 0.000 0.462 121 E N 0.998 121.142 120.200 -0.094 0.000 2.085 121 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 121 E C 1.964 178.493 176.600 -0.118 0.000 0.994 121 E CA 1.382 57.760 56.400 -0.036 0.000 0.801 121 E CB -0.146 29.637 29.700 0.139 0.000 0.743 121 E HN 0.171 nan 8.360 nan 0.000 0.453 122 V N 0.265 120.023 119.914 -0.260 0.000 2.548 122 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 122 V C 2.096 178.095 176.094 -0.158 0.000 1.055 122 V CA 1.569 63.735 62.300 -0.223 0.000 1.065 122 V CB -0.180 31.448 31.823 -0.324 0.000 0.681 122 V HN 0.266 nan 8.190 nan 0.000 0.462 123 Q N -0.254 119.455 119.800 -0.151 0.000 2.046 123 Q HA -0.257 4.083 4.340 -0.000 0.000 0.200 123 Q C 2.309 178.230 176.000 -0.131 0.000 0.975 123 Q CA 2.036 57.768 55.803 -0.118 0.000 0.836 123 Q CB -0.120 28.560 28.738 -0.096 0.000 0.896 123 Q HN 0.845 nan 8.270 nan 0.000 0.428 124 Q N -0.182 119.517 119.800 -0.168 0.000 2.436 124 Q HA -0.069 4.270 4.340 -0.000 0.000 0.209 124 Q C 0.492 176.270 176.000 -0.370 0.000 0.965 124 Q CA 0.327 55.972 55.803 -0.263 0.000 0.910 124 Q CB 0.150 28.700 28.738 -0.312 0.000 0.980 124 Q HN 0.114 nan 8.270 nan 0.000 0.491 125 Q N 1.072 120.717 119.800 -0.259 0.000 2.407 125 Q HA 0.387 4.727 4.340 -0.000 0.000 0.214 125 Q C -0.306 175.622 176.000 -0.120 0.000 1.043 125 Q CA 0.441 56.134 55.803 -0.184 0.000 0.983 125 Q CB 0.870 29.556 28.738 -0.087 0.000 1.211 125 Q HN 0.383 nan 8.270 nan 0.000 0.564 126 G N 0.265 109.021 108.800 -0.073 0.000 2.439 126 G HA2 0.401 4.361 3.960 -0.000 0.000 0.298 126 G HA3 0.401 4.361 3.960 -0.000 0.000 0.298 126 G C -0.838 174.037 174.900 -0.042 0.000 1.044 126 G CA -0.405 44.664 45.100 -0.051 0.000 1.168 126 G HN 0.339 nan 8.290 nan 0.000 0.433 127 V N 2.106 121.993 119.914 -0.046 0.000 2.432 127 V HA 0.574 4.694 4.120 -0.000 0.000 0.275 127 V C 0.262 176.340 176.094 -0.027 0.000 1.043 127 V CA -0.576 61.702 62.300 -0.036 0.000 0.925 127 V CB 1.027 32.825 31.823 -0.041 0.000 0.985 127 V HN 0.635 nan 8.190 nan 0.000 0.466 128 S N 3.150 118.838 115.700 -0.020 0.000 2.541 128 S HA 0.774 5.244 4.470 -0.000 0.000 0.280 128 S C -0.718 173.876 174.600 -0.009 0.000 1.112 128 S CA -0.675 57.516 58.200 -0.015 0.000 0.925 128 S CB 2.160 65.351 63.200 -0.014 0.000 1.067 128 S HN 0.492 nan 8.310 nan 0.000 0.479 129 V N 2.894 122.803 119.914 -0.009 0.000 2.482 129 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 129 V C -0.430 175.658 176.094 -0.009 0.000 1.026 129 V CA -0.575 61.722 62.300 -0.005 0.000 0.856 129 V CB 1.383 33.203 31.823 -0.004 0.000 1.001 129 V HN 1.000 nan 8.190 nan 0.000 0.424 130 E N 3.080 123.275 120.200 -0.008 0.000 2.442 130 E HA 0.710 5.060 4.350 -0.000 0.000 0.261 130 E C -1.546 175.043 176.600 -0.018 0.000 0.935 130 E CA -1.368 55.025 56.400 -0.012 0.000 0.856 130 E CB 1.721 31.418 29.700 -0.006 0.000 1.571 130 E HN 0.281 nan 8.360 nan 0.000 0.431 131 K N 1.059 121.448 120.400 -0.019 0.000 2.265 131 K HA 0.322 4.642 4.320 -0.000 0.000 0.267 131 K C -0.668 175.924 176.600 -0.012 0.000 0.994 131 K CA -0.374 55.898 56.287 -0.026 0.000 0.860 131 K CB 1.740 34.221 32.500 -0.032 0.000 1.099 131 K HN 0.456 nan 8.250 nan 0.000 0.448 132 S N 1.533 117.230 115.700 -0.006 0.000 2.617 132 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 132 S C -0.296 174.301 174.600 -0.004 0.000 1.292 132 S CA -0.255 57.947 58.200 0.004 0.000 1.010 132 S CB 0.556 63.770 63.200 0.025 0.000 0.944 132 S HN 0.360 nan 8.310 nan 0.000 0.536 133 S N 2.010 117.702 115.700 -0.013 0.000 2.891 133 S HA 0.150 4.620 4.470 -0.000 0.000 0.141 133 S C -0.837 173.731 174.600 -0.055 0.000 0.993 133 S CA -0.639 57.546 58.200 -0.025 0.000 1.051 133 S CB 0.278 63.465 63.200 -0.022 0.000 1.657 133 S HN 0.701 nan 8.310 nan 0.000 0.482 134 S N 3.295 118.975 115.700 -0.033 0.000 3.106 134 S HA 0.313 4.783 4.470 -0.000 0.000 0.304 134 S C 0.226 174.757 174.600 -0.116 0.000 1.118 134 S CA 0.344 58.524 58.200 -0.033 0.000 1.403 134 S CB -0.501 62.693 63.200 -0.009 0.000 1.555 134 S HN 0.919 nan 8.310 nan 0.000 0.584 135 S N 2.596 118.199 115.700 -0.163 0.000 2.677 135 S HA 0.278 4.748 4.470 -0.000 0.000 0.328 135 S C -0.705 173.783 174.600 -0.187 0.000 0.762 135 S CA -0.911 57.225 58.200 -0.106 0.000 0.740 135 S CB -0.636 62.551 63.200 -0.021 0.000 1.010 135 S HN 0.220 nan 8.310 nan 0.000 0.528 136 F N 3.567 123.516 119.950 -0.002 0.000 2.368 136 F HA 0.699 5.226 4.527 -0.000 0.000 0.308 136 F C 1.468 177.178 175.800 -0.151 0.000 1.198 136 F CA -0.084 57.833 58.000 -0.138 0.000 1.130 136 F CB 0.605 39.386 39.000 -0.364 0.000 1.300 136 F HN 0.696 nan 8.300 nan 0.000 0.537 137 L N -1.683 119.591 121.223 0.085 0.000 3.099 137 L HA 0.415 4.755 4.340 -0.000 0.000 0.165 137 L C 0.014 176.930 176.870 0.077 0.000 1.151 137 L CA -0.612 54.295 54.840 0.112 0.000 0.878 137 L CB -0.117 42.020 42.059 0.130 0.000 1.615 137 L HN 0.244 nan 8.230 nan 0.000 0.545 138 M N 2.757 122.400 119.600 0.070 0.000 2.120 138 M HA 0.381 4.861 4.480 -0.000 0.000 0.354 138 M C -1.151 175.128 176.300 -0.036 0.000 1.287 138 M CA -0.227 55.103 55.300 0.050 0.000 1.103 138 M CB 1.803 34.450 32.600 0.079 0.000 1.623 138 M HN 0.095 nan 8.290 nan 0.000 0.471 139 V N 5.332 125.162 119.914 -0.139 0.000 2.315 139 V HA 0.174 4.294 4.120 -0.000 0.000 0.265 139 V C -0.110 175.732 176.094 -0.420 0.000 1.019 139 V CA -0.714 61.394 62.300 -0.319 0.000 0.824 139 V CB 0.984 32.518 31.823 -0.482 0.000 1.072 139 V HN 0.617 nan 8.190 nan 0.000 0.448 140 V N 3.141 122.861 119.914 -0.323 0.000 2.381 140 V HA 0.382 4.502 4.120 -0.000 0.000 0.257 140 V C 1.375 177.179 176.094 -0.482 0.000 1.057 140 V CA -0.010 62.051 62.300 -0.397 0.000 1.013 140 V CB 0.440 32.090 31.823 -0.288 0.000 1.069 140 V HN 0.755 nan 8.190 nan 0.000 0.484 141 G N 3.865 112.306 108.800 -0.598 0.000 2.491 141 G HA2 0.433 4.393 3.960 -0.000 0.000 0.242 141 G HA3 0.433 4.393 3.960 -0.000 0.000 0.242 141 G C -0.519 174.146 174.900 -0.392 0.000 1.266 141 G CA -0.186 44.637 45.100 -0.461 0.000 0.844 141 G HN 0.715 nan 8.290 nan 0.000 0.571 142 V N 3.767 123.536 119.914 -0.242 0.000 2.509 142 V HA 0.388 4.508 4.120 -0.000 0.000 0.289 142 V C 0.264 176.274 176.094 -0.141 0.000 1.026 142 V CA -0.612 61.561 62.300 -0.212 0.000 0.872 142 V CB 0.585 32.281 31.823 -0.211 0.000 1.017 142 V HN 0.863 nan 8.190 nan 0.000 0.436 143 I N 0.877 121.377 120.570 -0.117 0.000 3.436 143 I HA 0.760 4.930 4.170 -0.000 0.000 0.296 143 I C -0.738 175.370 176.117 -0.015 0.000 1.143 143 I CA -0.722 60.559 61.300 -0.031 0.000 1.009 143 I CB 2.370 40.401 38.000 0.051 0.000 1.301 143 I HN 0.512 nan 8.210 nan 0.000 0.503 144 N N -0.106 118.605 118.700 0.018 0.000 2.240 144 N HA 0.434 5.174 4.740 -0.000 0.000 0.302 144 N C -0.405 175.129 175.510 0.040 0.000 1.106 144 N CA 0.111 53.174 53.050 0.021 0.000 0.778 144 N CB 2.460 40.954 38.487 0.012 0.000 1.431 144 N HN 0.929 nan 8.380 nan 0.000 0.479 145 T N -1.029 113.549 114.554 0.040 0.000 3.280 145 T HA 0.083 4.433 4.350 -0.000 0.000 0.256 145 T C 1.006 175.726 174.700 0.033 0.000 0.995 145 T CA 0.238 62.364 62.100 0.043 0.000 1.144 145 T CB -0.070 68.830 68.868 0.052 0.000 1.140 145 T HN 0.389 nan 8.240 nan 0.000 0.423 146 D N 2.387 122.807 120.400 0.033 0.000 2.191 146 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 146 D C 1.491 177.805 176.300 0.022 0.000 1.006 146 D CA 1.082 55.099 54.000 0.028 0.000 0.910 146 D CB -0.707 40.112 40.800 0.031 0.000 1.031 146 D HN 0.491 nan 8.370 nan 0.000 0.447 147 G N 0.814 109.627 108.800 0.022 0.000 2.716 147 G HA2 0.268 4.228 3.960 -0.000 0.000 0.296 147 G HA3 0.268 4.228 3.960 -0.000 0.000 0.296 147 G C -0.152 174.757 174.900 0.014 0.000 0.811 147 G CA -0.190 44.919 45.100 0.016 0.000 1.758 147 G HN 0.178 nan 8.290 nan 0.000 0.512 148 T N 4.172 118.735 114.554 0.015 0.000 2.902 148 T HA 0.345 4.695 4.350 -0.000 0.000 0.301 148 T C 0.701 175.410 174.700 0.016 0.000 1.012 148 T CA 0.497 62.607 62.100 0.016 0.000 1.151 148 T CB 0.381 69.259 68.868 0.015 0.000 0.946 148 T HN 0.617 nan 8.240 nan 0.000 0.542 149 M N 0.943 120.552 119.600 0.016 0.000 2.631 149 M HA 0.594 5.074 4.480 -0.000 0.000 0.288 149 M C 0.055 176.367 176.300 0.021 0.000 1.260 149 M CA -1.198 54.114 55.300 0.021 0.000 0.842 149 M CB 1.823 34.432 32.600 0.015 0.000 1.743 149 M HN 0.549 nan 8.290 nan 0.000 0.461 150 T N -1.247 113.326 114.554 0.032 0.000 2.810 150 T HA 0.292 4.642 4.350 -0.000 0.000 0.277 150 T C 0.306 175.014 174.700 0.014 0.000 0.973 150 T CA -0.664 61.454 62.100 0.030 0.000 0.949 150 T CB 0.583 69.482 68.868 0.053 0.000 1.075 150 T HN 0.817 nan 8.240 nan 0.000 0.537 151 Q N 0.358 120.165 119.800 0.011 0.000 3.184 151 Q HA 0.405 4.745 4.340 -0.000 0.000 0.288 151 Q C -0.099 175.897 176.000 -0.006 0.000 1.412 151 Q CA -0.273 55.526 55.803 -0.006 0.000 0.991 151 Q CB 0.142 28.873 28.738 -0.011 0.000 1.688 151 Q HN 0.893 nan 8.270 nan 0.000 0.554 152 E N 0.647 120.826 120.200 -0.034 0.000 1.474 152 E HA -0.101 4.249 4.350 -0.000 0.000 0.228 152 E C 0.479 176.949 176.600 -0.217 0.000 1.061 152 E CA 0.539 56.896 56.400 -0.072 0.000 1.329 152 E CB -0.545 29.194 29.700 0.064 0.000 4.423 152 E HN 0.405 nan 8.360 nan 0.000 0.784 153 D N 0.791 121.135 120.400 -0.093 0.000 2.117 153 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 153 D C 1.903 178.125 176.300 -0.129 0.000 0.987 153 D CA 1.657 55.594 54.000 -0.106 0.000 0.829 153 D CB 0.143 40.971 40.800 0.047 0.000 0.961 153 D HN 0.315 nan 8.370 nan 0.000 0.460 154 I N 0.990 121.516 120.570 -0.074 0.000 2.353 154 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 154 I C 2.374 178.441 176.117 -0.083 0.000 1.119 154 I CA 0.533 61.806 61.300 -0.045 0.000 1.417 154 I CB -0.085 37.889 38.000 -0.044 0.000 1.078 154 I HN -0.145 nan 8.210 nan 0.000 0.421 155 S N 0.390 116.020 115.700 -0.117 0.000 2.419 155 S HA -0.243 4.226 4.470 -0.000 0.000 0.235 155 S C 1.567 176.070 174.600 -0.162 0.000 1.019 155 S CA 1.838 59.967 58.200 -0.118 0.000 0.982 155 S CB -0.434 62.697 63.200 -0.116 0.000 0.789 155 S HN 0.603 nan 8.310 nan 0.000 0.490 156 D N 0.128 120.367 120.400 -0.269 0.000 2.120 156 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 156 D C 1.857 178.119 176.300 -0.063 0.000 0.972 156 D CA 0.635 54.471 54.000 -0.274 0.000 0.837 156 D CB -0.309 40.062 40.800 -0.716 0.000 0.989 156 D HN 0.315 nan 8.370 nan 0.000 0.469 157 Y N 0.855 121.054 120.300 -0.170 0.000 2.242 157 Y HA -0.041 4.509 4.550 -0.000 0.000 0.291 157 Y C 2.078 177.923 175.900 -0.092 0.000 1.137 157 Y CA 0.838 58.877 58.100 -0.101 0.000 1.181 157 Y CB -0.619 37.776 38.460 -0.109 0.000 0.989 157 Y HN -0.057 nan 8.280 nan 0.000 0.527 158 V N 0.537 120.315 119.914 -0.226 0.000 2.282 158 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 158 V C 2.388 178.388 176.094 -0.155 0.000 1.057 158 V CA 2.148 64.298 62.300 -0.250 0.000 1.032 158 V CB -1.468 30.264 31.823 -0.152 0.000 0.645 158 V HN 0.526 nan 8.190 nan 0.000 0.447 159 A N -1.253 121.511 122.820 -0.094 0.000 2.327 159 A HA 0.585 4.905 4.320 -0.000 0.000 0.228 159 A C 1.253 178.819 177.584 -0.030 0.000 1.275 159 A CA 0.790 52.796 52.037 -0.053 0.000 0.875 159 A CB -0.274 18.700 19.000 -0.043 0.000 0.925 159 A HN 0.650 nan 8.150 nan 0.000 0.493 160 A N -0.758 122.043 122.820 -0.031 0.000 2.676 160 A HA 0.546 4.866 4.320 -0.000 0.000 0.258 160 A C 0.256 177.847 177.584 0.013 0.000 0.898 160 A CA 0.310 52.357 52.037 0.018 0.000 1.087 160 A CB -0.157 18.889 19.000 0.078 0.000 1.214 160 A HN 0.391 nan 8.150 nan 0.000 0.474 161 N N -1.656 117.010 118.700 -0.056 0.000 2.403 161 N HA 0.038 4.778 4.740 -0.000 0.000 0.321 161 N C 1.069 176.541 175.510 -0.064 0.000 0.721 161 N CA 1.048 54.056 53.050 -0.071 0.000 0.574 161 N CB -0.060 38.301 38.487 -0.210 0.000 2.381 161 N HN 0.201 nan 8.380 nan 0.000 1.152 162 M N -0.120 119.427 119.600 -0.088 0.000 2.925 162 M HA 0.276 4.756 4.480 -0.000 0.000 0.249 162 M C 1.855 178.139 176.300 -0.026 0.000 1.439 162 M CA 0.328 55.602 55.300 -0.044 0.000 1.217 162 M CB -0.044 32.526 32.600 -0.049 0.000 1.245 162 M HN 0.025 nan 8.290 nan 0.000 0.552 163 K N 1.466 121.845 120.400 -0.034 0.000 2.044 163 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 163 K C 1.326 177.925 176.600 -0.002 0.000 1.049 163 K CA 2.450 58.731 56.287 -0.010 0.000 0.927 163 K CB -0.143 32.350 32.500 -0.011 0.000 0.713 163 K HN 0.126 nan 8.250 nan 0.000 0.443 164 D N -0.401 119.994 120.400 -0.008 0.000 2.133 164 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 164 D C 1.714 178.013 176.300 -0.001 0.000 0.997 164 D CA 1.687 55.684 54.000 -0.004 0.000 0.840 164 D CB -0.095 40.701 40.800 -0.006 0.000 0.947 164 D HN 0.439 nan 8.370 nan 0.000 0.452 165 A N -0.259 122.560 122.820 -0.002 0.000 1.929 165 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 165 A C 1.979 179.568 177.584 0.008 0.000 1.176 165 A CA 0.737 52.775 52.037 0.001 0.000 0.628 165 A CB -0.410 18.590 19.000 -0.000 0.000 0.816 165 A HN 0.146 nan 8.150 nan 0.000 0.444 166 I N 1.246 121.823 120.570 0.012 0.000 2.113 166 I HA -0.217 3.953 4.170 -0.000 0.000 0.238 166 I C 2.914 179.046 176.117 0.024 0.000 1.070 166 I CA 1.869 63.182 61.300 0.021 0.000 1.332 166 I CB -1.246 36.770 38.000 0.027 0.000 1.044 166 I HN 0.484 nan 8.210 nan 0.000 0.402 167 S N 0.649 116.363 115.700 0.023 0.000 2.392 167 S HA -0.302 4.168 4.470 -0.000 0.000 0.232 167 S C 2.188 176.797 174.600 0.016 0.000 1.041 167 S CA 1.543 59.757 58.200 0.022 0.000 1.026 167 S CB -0.639 62.572 63.200 0.018 0.000 0.845 167 S HN 0.434 nan 8.310 nan 0.000 0.465 168 R N 1.235 121.742 120.500 0.011 0.000 2.072 168 R HA 0.022 4.362 4.340 -0.000 0.000 0.221 168 R C 0.244 176.550 176.300 0.010 0.000 1.166 168 R CA 1.357 57.462 56.100 0.008 0.000 0.917 168 R CB -1.127 29.176 30.300 0.004 0.000 0.815 168 R HN 0.358 nan 8.270 nan 0.000 0.444 169 T N 1.939 116.500 114.554 0.011 0.000 2.567 169 T HA -0.185 4.165 4.350 -0.000 0.000 0.218 169 T C 0.032 174.742 174.700 0.016 0.000 1.017 169 T CA 1.129 63.237 62.100 0.014 0.000 1.161 169 T CB -0.249 68.629 68.868 0.017 0.000 1.010 169 T HN 0.739 nan 8.240 nan 0.000 0.447 170 S N 1.819 117.528 115.700 0.015 0.000 3.247 170 S HA -0.152 4.317 4.470 -0.000 0.000 0.341 170 S C 1.129 175.739 174.600 0.018 0.000 0.924 170 S CA 0.719 58.929 58.200 0.016 0.000 1.323 170 S CB -2.039 61.173 63.200 0.020 0.000 0.918 170 S HN 2.486 nan 8.310 nan 0.000 0.523 171 G N 0.361 109.169 108.800 0.014 0.000 2.421 171 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.300 171 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.300 171 G C 0.116 175.026 174.900 0.017 0.000 0.974 171 G CA -0.027 45.080 45.100 0.012 0.000 1.062 171 G HN 1.702 nan 8.290 nan 0.000 0.514 172 V N 0.668 120.594 119.914 0.020 0.000 2.427 172 V HA 0.450 4.569 4.120 -0.000 0.000 0.268 172 V C 1.960 178.066 176.094 0.020 0.000 1.046 172 V CA 0.553 62.869 62.300 0.027 0.000 0.970 172 V CB 0.747 32.591 31.823 0.035 0.000 1.001 172 V HN 0.552 nan 8.190 nan 0.000 0.476 173 G N 5.075 113.886 108.800 0.018 0.000 2.545 173 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.217 173 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.217 173 G C 0.269 175.176 174.900 0.011 0.000 1.218 173 G CA 1.219 46.324 45.100 0.008 0.000 0.787 173 G HN 0.911 nan 8.290 nan 0.000 0.571 174 D N -2.451 117.963 120.400 0.022 0.000 2.886 174 D HA 0.426 5.066 4.640 -0.000 0.000 0.216 174 D C -0.976 175.359 176.300 0.058 0.000 1.256 174 D CA -0.825 53.192 54.000 0.028 0.000 0.844 174 D CB 1.772 42.581 40.800 0.015 0.000 1.669 174 D HN 0.101 nan 8.370 nan 0.000 0.513 175 V N 1.257 121.207 119.914 0.060 0.000 2.607 175 V HA 0.460 4.580 4.120 -0.000 0.000 0.289 175 V C 0.021 176.174 176.094 0.099 0.000 1.053 175 V CA -0.294 62.063 62.300 0.095 0.000 0.996 175 V CB 1.387 33.252 31.823 0.070 0.000 0.995 175 V HN 0.656 nan 8.190 nan 0.000 0.476 176 Q N 3.389 123.298 119.800 0.181 0.000 2.245 176 Q HA 0.511 4.850 4.340 -0.000 0.000 0.256 176 Q C -1.274 174.806 176.000 0.134 0.000 0.942 176 Q CA -0.349 55.522 55.803 0.114 0.000 0.896 176 Q CB 1.605 30.481 28.738 0.230 0.000 1.272 176 Q HN 0.601 nan 8.270 nan 0.000 0.442 177 L N 5.173 126.377 121.223 -0.031 0.000 2.349 177 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 177 L C -1.453 175.389 176.870 -0.047 0.000 0.996 177 L CA -0.490 54.381 54.840 0.051 0.000 0.825 177 L CB 0.720 42.771 42.059 -0.013 0.000 1.243 177 L HN 0.725 nan 8.230 nan 0.000 0.412 178 F N 5.299 125.229 119.950 -0.033 0.000 2.541 178 F HA 0.595 5.121 4.527 -0.000 0.000 0.351 178 F C 1.056 176.819 175.800 -0.061 0.000 1.209 178 F CA 0.331 58.317 58.000 -0.024 0.000 1.277 178 F CB 0.458 39.497 39.000 0.066 0.000 1.632 178 F HN 0.715 nan 8.300 nan 0.000 0.619 179 G N 0.065 108.854 108.800 -0.017 0.000 2.295 179 G HA2 0.279 4.239 3.960 -0.000 0.000 0.155 179 G HA3 0.279 4.239 3.960 -0.000 0.000 0.155 179 G C -1.128 173.702 174.900 -0.116 0.000 1.307 179 G CA -0.321 44.742 45.100 -0.061 0.000 1.140 179 G HN 0.442 nan 8.290 nan 0.000 0.470 180 S N -1.029 114.589 115.700 -0.137 0.000 2.552 180 S HA 0.555 5.025 4.470 -0.000 0.000 0.272 180 S C -0.714 173.801 174.600 -0.141 0.000 1.150 180 S CA 0.202 58.316 58.200 -0.144 0.000 0.849 180 S CB 1.637 64.720 63.200 -0.194 0.000 1.113 180 S HN 0.960 nan 8.310 nan 0.000 0.458 181 Q N 1.873 121.623 119.800 -0.083 0.000 2.421 181 Q HA 0.280 4.620 4.340 -0.000 0.000 0.255 181 Q C -0.974 175.043 176.000 0.028 0.000 1.013 181 Q CA -0.123 55.651 55.803 -0.049 0.000 0.895 181 Q CB 0.302 29.047 28.738 0.011 0.000 1.271 181 Q HN 0.654 nan 8.270 nan 0.000 0.460 182 Y N 0.677 120.998 120.300 0.036 0.000 2.459 182 Y HA 0.344 4.894 4.550 -0.000 0.000 0.349 182 Y C 0.162 176.135 175.900 0.122 0.000 1.266 182 Y CA 0.163 58.302 58.100 0.064 0.000 1.483 182 Y CB 0.973 39.490 38.460 0.095 0.000 1.362 182 Y HN 0.695 nan 8.280 nan 0.000 0.628 183 A N 2.443 125.462 122.820 0.332 0.000 2.565 183 A HA 0.440 4.760 4.320 -0.000 0.000 0.298 183 A C -1.112 176.470 177.584 -0.004 0.000 1.062 183 A CA -0.964 51.229 52.037 0.261 0.000 0.723 183 A CB 0.747 19.912 19.000 0.275 0.000 1.282 183 A HN 0.651 nan 8.150 nan 0.000 0.400 184 M N 2.072 121.469 119.600 -0.339 0.000 2.842 184 M HA 0.215 4.695 4.480 -0.000 0.000 0.314 184 M C 0.243 176.210 176.300 -0.555 0.000 1.646 184 M CA 0.531 55.344 55.300 -0.811 0.000 1.484 184 M CB -0.933 30.564 32.600 -1.837 0.000 1.727 184 M HN 0.552 nan 8.290 nan 0.000 0.468 185 R N 4.178 124.450 120.500 -0.380 0.000 2.297 185 R HA 0.676 5.016 4.340 -0.000 0.000 0.308 185 R C -1.209 174.711 176.300 -0.633 0.000 1.029 185 R CA -0.020 55.811 56.100 -0.448 0.000 0.929 185 R CB 0.612 30.756 30.300 -0.260 0.000 1.046 185 R HN 0.756 nan 8.270 nan 0.000 0.461 186 I N 2.992 123.081 120.570 -0.801 0.000 2.608 186 I HA 0.375 4.545 4.170 -0.000 0.000 0.295 186 I C -0.922 174.740 176.117 -0.758 0.000 1.049 186 I CA -0.647 60.283 61.300 -0.615 0.000 1.063 186 I CB 2.084 39.891 38.000 -0.321 0.000 1.248 186 I HN 0.595 nan 8.210 nan 0.000 0.424 187 W N 6.384 127.673 121.300 -0.019 0.000 2.433 187 W HA 0.490 5.150 4.660 -0.000 0.000 0.288 187 W C -0.521 175.990 176.519 -0.014 0.000 0.986 187 W CA -0.546 56.794 57.345 -0.008 0.000 1.680 187 W CB 0.657 30.107 29.460 -0.018 0.000 1.615 187 W HN 0.141 nan 8.180 nan 0.000 0.416 188 M N 3.092 122.784 119.600 0.153 0.000 2.356 188 M HA -0.027 4.453 4.480 -0.000 0.000 0.348 188 M C 0.686 176.975 176.300 -0.018 0.000 1.595 188 M CA 0.671 56.031 55.300 0.100 0.000 1.095 188 M CB 0.066 32.770 32.600 0.174 0.000 1.963 188 M HN 0.243 nan 8.290 nan 0.000 0.459 189 N N 5.569 124.168 118.700 -0.169 0.000 2.442 189 N HA 0.154 4.894 4.740 -0.000 0.000 0.265 189 N C -2.028 173.152 175.510 -0.551 0.000 1.138 189 N CA -1.499 51.245 53.050 -0.510 0.000 0.956 189 N CB 1.366 39.654 38.487 -0.332 0.000 1.067 189 N HN 0.297 nan 8.380 nan 0.000 0.474 190 P HA 0.032 nan 4.420 nan 0.000 0.218 190 P C 0.757 177.842 177.300 -0.358 0.000 1.152 190 P CA 0.750 63.347 63.100 -0.839 0.000 0.826 190 P CB 0.489 31.212 31.700 -1.628 0.000 0.790 191 N N -0.030 118.471 118.700 -0.332 0.000 2.166 191 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 191 N C 1.551 177.050 175.510 -0.018 0.000 1.019 191 N CA 1.039 54.037 53.050 -0.086 0.000 0.856 191 N CB -0.539 37.924 38.487 -0.041 0.000 0.993 191 N HN 0.224 nan 8.380 nan 0.000 0.426 192 E N 0.650 120.826 120.200 -0.041 0.000 2.274 192 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 192 E C 2.028 178.727 176.600 0.166 0.000 0.996 192 E CA 0.206 56.660 56.400 0.091 0.000 0.840 192 E CB 0.057 29.775 29.700 0.029 0.000 0.772 192 E HN 0.407 nan 8.360 nan 0.000 0.491 193 L N 0.625 121.893 121.223 0.075 0.000 2.131 193 L HA -0.073 4.267 4.340 -0.000 0.000 0.206 193 L C 2.382 179.359 176.870 0.178 0.000 1.087 193 L CA 0.745 55.661 54.840 0.125 0.000 0.767 193 L CB -0.347 41.784 42.059 0.120 0.000 0.917 193 L HN 0.144 nan 8.230 nan 0.000 0.441 194 N N 0.979 119.765 118.700 0.144 0.000 2.216 194 N HA -0.204 4.535 4.740 -0.000 0.000 0.183 194 N C 1.847 177.373 175.510 0.027 0.000 1.017 194 N CA 0.817 53.921 53.050 0.091 0.000 0.861 194 N CB 0.165 38.680 38.487 0.046 0.000 0.986 194 N HN 0.314 nan 8.380 nan 0.000 0.428 195 K N -0.737 119.685 120.400 0.036 0.000 2.459 195 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 195 K C 0.281 176.723 176.600 -0.264 0.000 1.030 195 K CA 0.702 56.922 56.287 -0.112 0.000 1.026 195 K CB 0.035 32.444 32.500 -0.152 0.000 0.809 195 K HN 0.169 nan 8.250 nan 0.000 0.504 196 F N 1.060 121.001 119.950 -0.014 0.000 2.727 196 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 196 F C -0.529 175.273 175.800 0.004 0.000 1.107 196 F CA -0.335 57.662 58.000 -0.005 0.000 1.277 196 F CB 0.344 39.344 39.000 0.000 0.000 1.079 196 F HN -0.014 nan 8.300 nan 0.000 0.594 197 Q N 1.233 121.137 119.800 0.173 0.000 2.272 197 Q HA -0.041 4.299 4.340 -0.000 0.000 0.307 197 Q C -1.204 174.877 176.000 0.135 0.000 1.223 197 Q CA 0.184 56.059 55.803 0.119 0.000 0.696 197 Q CB -1.490 27.293 28.738 0.076 0.000 0.943 197 Q HN 0.362 nan 8.270 nan 0.000 0.330 198 L N 0.125 121.437 121.223 0.148 0.000 2.720 198 L HA 0.787 5.127 4.340 -0.000 0.000 0.261 198 L C -0.158 176.811 176.870 0.165 0.000 1.046 198 L CA -0.622 54.299 54.840 0.134 0.000 0.886 198 L CB 2.571 44.694 42.059 0.106 0.000 1.493 198 L HN 0.519 nan 8.230 nan 0.000 0.407 199 T N -3.529 111.112 114.554 0.146 0.000 2.864 199 T HA 0.468 4.818 4.350 -0.000 0.000 0.289 199 T C -2.554 172.231 174.700 0.142 0.000 1.082 199 T CA -1.670 60.536 62.100 0.177 0.000 1.009 199 T CB 1.921 70.884 68.868 0.158 0.000 1.234 199 T HN 0.270 nan 8.240 nan 0.000 0.526 200 P HA 0.074 nan 4.420 nan 0.000 0.226 200 P C 1.430 178.764 177.300 0.056 0.000 1.153 200 P CA 0.179 63.333 63.100 0.090 0.000 0.777 200 P CB -0.130 31.605 31.700 0.057 0.000 0.794 201 V N 0.189 120.141 119.914 0.063 0.000 2.548 201 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 201 V C 1.841 177.957 176.094 0.037 0.000 1.055 201 V CA 1.781 64.108 62.300 0.045 0.000 1.065 201 V CB -0.943 30.910 31.823 0.049 0.000 0.681 201 V HN 0.175 nan 8.190 nan 0.000 0.462 202 D N 0.070 120.496 120.400 0.044 0.000 2.249 202 D HA -0.044 4.595 4.640 -0.000 0.000 0.205 202 D C 2.128 178.438 176.300 0.017 0.000 0.962 202 D CA 0.948 54.966 54.000 0.031 0.000 0.860 202 D CB 0.393 41.217 40.800 0.039 0.000 0.955 202 D HN 0.384 nan 8.370 nan 0.000 0.505 203 V N 1.435 121.362 119.914 0.021 0.000 2.283 203 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 203 V C 2.571 178.665 176.094 -0.000 0.000 1.039 203 V CA 0.909 63.213 62.300 0.007 0.000 1.016 203 V CB -0.341 31.489 31.823 0.012 0.000 0.650 203 V HN 0.098 nan 8.190 nan 0.000 0.449 204 I N 0.521 121.092 120.570 0.002 0.000 2.208 204 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 204 I C 2.553 178.666 176.117 -0.007 0.000 1.097 204 I CA 1.970 63.265 61.300 -0.008 0.000 1.363 204 I CB -0.562 37.436 38.000 -0.003 0.000 1.051 204 I HN 0.320 nan 8.210 nan 0.000 0.413 205 T N 0.449 115.003 114.554 0.000 0.000 2.867 205 T HA -0.081 4.268 4.350 -0.000 0.000 0.268 205 T C 1.949 176.644 174.700 -0.009 0.000 1.057 205 T CA 1.233 63.332 62.100 -0.002 0.000 1.136 205 T CB -0.209 68.662 68.868 0.005 0.000 0.874 205 T HN 0.474 nan 8.240 nan 0.000 0.466 206 A N 1.048 123.861 122.820 -0.011 0.000 2.014 206 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 206 A C 2.135 179.701 177.584 -0.030 0.000 1.163 206 A CA 0.812 52.835 52.037 -0.022 0.000 0.652 206 A CB -0.571 18.414 19.000 -0.024 0.000 0.808 206 A HN 0.574 nan 8.150 nan 0.000 0.449 207 I N -1.214 119.346 120.570 -0.016 0.000 2.852 207 I HA -0.046 4.124 4.170 -0.000 0.000 0.264 207 I C 0.645 176.753 176.117 -0.015 0.000 1.179 207 I CA 0.629 61.925 61.300 -0.006 0.000 1.480 207 I CB -0.143 37.880 38.000 0.038 0.000 1.111 207 I HN 0.106 nan 8.210 nan 0.000 0.441 208 K N 1.882 122.271 120.400 -0.017 0.000 3.165 208 K HA 0.483 4.803 4.320 -0.000 0.000 0.259 208 K C 0.333 176.923 176.600 -0.017 0.000 1.282 208 K CA 0.137 56.415 56.287 -0.015 0.000 1.259 208 K CB 0.761 33.255 32.500 -0.011 0.000 1.546 208 K HN 0.302 nan 8.250 nan 0.000 0.384 209 A N -0.199 122.605 122.820 -0.026 0.000 1.889 209 A HA -0.037 4.283 4.320 -0.000 0.000 0.204 209 A C 1.475 179.033 177.584 -0.043 0.000 1.739 209 A CA -0.191 51.829 52.037 -0.028 0.000 1.589 209 A CB 0.022 19.007 19.000 -0.025 0.000 1.485 209 A HN 0.268 nan 8.150 nan 0.000 0.472 210 Q N -0.308 119.455 119.800 -0.062 0.000 2.204 210 Q HA 0.038 4.378 4.340 -0.000 0.000 0.198 210 Q C 0.339 176.267 176.000 -0.120 0.000 0.946 210 Q CA 1.029 56.778 55.803 -0.089 0.000 0.859 210 Q CB 0.158 28.831 28.738 -0.108 0.000 0.946 210 Q HN 0.540 nan 8.270 nan 0.000 0.474 211 N N 0.636 119.261 118.700 -0.125 0.000 2.949 211 N HA 0.381 5.121 4.740 -0.000 0.000 0.243 211 N C -1.547 173.941 175.510 -0.037 0.000 1.113 211 N CA -0.093 52.879 53.050 -0.130 0.000 0.980 211 N CB 0.638 39.017 38.487 -0.180 0.000 1.256 211 N HN 0.169 nan 8.380 nan 0.000 0.508 212 A N 1.647 124.448 122.820 -0.032 0.000 2.586 212 A HA 0.504 4.824 4.320 -0.000 0.000 0.290 212 A C -1.548 176.031 177.584 -0.008 0.000 1.086 212 A CA -0.794 51.239 52.037 -0.007 0.000 0.665 212 A CB 1.202 20.196 19.000 -0.009 0.000 1.279 212 A HN 0.434 nan 8.150 nan 0.000 0.423 213 Q N 0.219 120.019 119.800 0.000 0.000 2.337 213 Q HA 0.629 4.969 4.340 -0.000 0.000 0.266 213 Q C -1.339 174.659 176.000 -0.003 0.000 1.023 213 Q CA -0.697 55.105 55.803 -0.002 0.000 0.829 213 Q CB 2.373 31.113 28.738 0.002 0.000 1.306 213 Q HN 0.550 nan 8.270 nan 0.000 0.449 214 V N 1.004 120.914 119.914 -0.006 0.000 2.628 214 V HA 0.523 4.643 4.120 -0.000 0.000 0.306 214 V C -0.451 175.640 176.094 -0.005 0.000 1.045 214 V CA -0.759 61.537 62.300 -0.006 0.000 0.905 214 V CB 1.843 33.661 31.823 -0.009 0.000 0.997 214 V HN 0.856 nan 8.190 nan 0.000 0.436 215 A N 3.447 126.265 122.820 -0.004 0.000 3.016 215 A HA 0.747 5.067 4.320 -0.000 0.000 0.303 215 A C 0.555 178.137 177.584 -0.004 0.000 1.507 215 A CA -0.038 51.997 52.037 -0.003 0.000 1.196 215 A CB -0.392 18.607 19.000 -0.002 0.000 1.169 215 A HN 1.177 nan 8.150 nan 0.000 0.544 216 A N 1.357 124.175 122.820 -0.005 0.000 2.371 216 A HA 0.622 4.942 4.320 -0.000 0.000 0.257 216 A C 1.201 178.783 177.584 -0.004 0.000 1.089 216 A CA 0.220 52.254 52.037 -0.005 0.000 0.794 216 A CB 0.136 19.133 19.000 -0.006 0.000 1.029 216 A HN 1.046 nan 8.150 nan 0.000 0.488 217 G N 0.181 108.979 108.800 -0.004 0.000 2.913 217 G HA2 0.440 4.400 3.960 -0.000 0.000 0.145 217 G HA3 0.440 4.400 3.960 -0.000 0.000 0.145 217 G C 0.091 174.989 174.900 -0.003 0.000 1.801 217 G CA 0.689 45.787 45.100 -0.003 0.000 1.033 217 G HN 1.241 nan 8.290 nan 0.000 0.495 218 Q N -1.503 118.295 119.800 -0.003 0.000 2.479 218 Q HA 0.450 4.790 4.340 -0.000 0.000 0.276 218 Q C -1.343 174.656 176.000 -0.002 0.000 0.989 218 Q CA -0.879 54.922 55.803 -0.003 0.000 0.864 218 Q CB 1.079 29.816 28.738 -0.002 0.000 1.444 218 Q HN 0.382 nan 8.270 nan 0.000 0.388 219 L N 1.177 122.399 121.223 -0.002 0.000 2.439 219 L HA 0.507 4.847 4.340 -0.000 0.000 0.269 219 L C 0.994 177.863 176.870 -0.002 0.000 1.179 219 L CA 0.584 55.422 54.840 -0.002 0.000 0.828 219 L CB 0.139 42.197 42.059 -0.002 0.000 1.106 219 L HN 1.085 nan 8.230 nan 0.000 0.467 220 G N 2.232 111.031 108.800 -0.002 0.000 2.370 220 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.295 220 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.295 220 G C 0.478 175.377 174.900 -0.002 0.000 1.045 220 G CA -0.076 45.023 45.100 -0.002 0.000 1.199 220 G HN 1.117 nan 8.290 nan 0.000 0.513 221 G N -0.223 108.576 108.800 -0.002 0.000 2.716 221 G HA2 0.426 4.386 3.960 -0.000 0.000 0.251 221 G HA3 0.426 4.386 3.960 -0.000 0.000 0.251 221 G C 1.296 176.195 174.900 -0.002 0.000 1.224 221 G CA 0.734 45.833 45.100 -0.002 0.000 0.891 221 G HN 0.623 nan 8.290 nan 0.000 0.561 222 T N 1.225 115.778 114.554 -0.002 0.000 2.635 222 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 222 T C -1.082 173.617 174.700 -0.001 0.000 1.040 222 T CA 1.640 63.739 62.100 -0.002 0.000 1.156 222 T CB -0.646 68.221 68.868 -0.002 0.000 0.863 222 T HN 0.483 nan 8.240 nan 0.000 0.430 223 P HA 0.416 nan 4.420 nan 0.000 0.285 223 P C -2.532 174.767 177.300 -0.001 0.000 1.448 223 P CA -1.442 61.657 63.100 -0.001 0.000 0.953 223 P CB 1.285 32.984 31.700 -0.001 0.000 1.175 224 P HA 0.330 nan 4.420 nan 0.000 0.321 224 P C -0.700 176.600 177.300 -0.001 0.000 1.304 224 P CA -0.626 62.473 63.100 -0.001 0.000 0.759 224 P CB 0.725 32.424 31.700 -0.001 0.000 1.385 225 V N -2.317 117.596 119.914 -0.001 0.000 2.539 225 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 225 V C 0.098 176.192 176.094 -0.001 0.000 1.045 225 V CA -1.110 61.190 62.300 -0.001 0.000 0.945 225 V CB 0.370 32.193 31.823 -0.001 0.000 0.993 225 V HN 0.301 nan 8.190 nan 0.000 0.464 226 K N 3.075 123.475 120.400 -0.001 0.000 2.402 226 K HA 0.520 4.840 4.320 -0.000 0.000 0.285 226 K C 1.002 177.601 176.600 -0.001 0.000 1.054 226 K CA 0.813 57.100 56.287 -0.001 0.000 1.001 226 K CB 0.191 32.690 32.500 -0.001 0.000 0.946 226 K HN 1.327 nan 8.250 nan 0.000 0.473 227 G N 1.664 110.463 108.800 -0.001 0.000 2.205 227 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.180 227 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.180 227 G C -0.151 174.748 174.900 -0.001 0.000 1.004 227 G CA -0.490 44.610 45.100 -0.001 0.000 0.670 227 G HN 0.521 nan 8.290 nan 0.000 0.496 228 Q N 0.043 119.843 119.800 -0.001 0.000 2.392 228 Q HA 0.628 4.968 4.340 -0.000 0.000 0.262 228 Q C 1.184 177.184 176.000 -0.001 0.000 1.003 228 Q CA 0.548 56.350 55.803 -0.001 0.000 0.888 228 Q CB 1.028 29.765 28.738 -0.001 0.000 1.260 228 Q HN 0.251 nan 8.270 nan 0.000 0.435 229 Q N 1.774 121.574 119.800 -0.001 0.000 2.281 229 Q HA 0.371 4.711 4.340 -0.000 0.000 0.215 229 Q C -0.751 175.248 176.000 -0.001 0.000 0.867 229 Q CA 0.080 55.883 55.803 -0.001 0.000 0.940 229 Q CB 0.561 29.299 28.738 -0.001 0.000 1.111 229 Q HN 0.663 nan 8.270 nan 0.000 0.513 230 L N -1.357 119.865 121.223 -0.001 0.000 2.354 230 L HA 0.666 5.006 4.340 -0.000 0.000 0.264 230 L C -1.353 175.517 176.870 -0.001 0.000 1.008 230 L CA -0.659 54.181 54.840 -0.001 0.000 0.819 230 L CB 2.232 44.291 42.059 -0.001 0.000 1.339 230 L HN -0.052 nan 8.230 nan 0.000 0.420 231 N N 3.024 121.723 118.700 -0.001 0.000 2.699 231 N HA 0.602 5.342 4.740 -0.000 0.000 0.271 231 N C -1.994 173.515 175.510 -0.001 0.000 1.216 231 N CA -0.146 52.903 53.050 -0.001 0.000 0.844 231 N CB 1.834 40.321 38.487 -0.001 0.000 1.462 231 N HN 0.990 nan 8.380 nan 0.000 0.555 232 A N 1.758 124.577 122.820 -0.002 0.000 2.486 232 A HA 0.594 4.914 4.320 -0.000 0.000 0.300 232 A C -0.306 177.276 177.584 -0.002 0.000 1.048 232 A CA -0.615 51.421 52.037 -0.002 0.000 0.696 232 A CB 1.351 20.350 19.000 -0.002 0.000 1.278 232 A HN 0.551 nan 8.150 nan 0.000 0.405 233 S N 1.764 117.463 115.700 -0.002 0.000 2.548 233 S HA 0.580 5.050 4.470 -0.000 0.000 0.277 233 S C 0.054 174.652 174.600 -0.003 0.000 1.315 233 S CA -0.317 57.882 58.200 -0.003 0.000 1.050 233 S CB 0.023 63.221 63.200 -0.003 0.000 0.918 233 S HN 0.510 nan 8.310 nan 0.000 0.497 234 I N 2.922 123.490 120.570 -0.004 0.000 2.638 234 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 234 I C 0.078 176.192 176.117 -0.005 0.000 1.088 234 I CA -0.608 60.689 61.300 -0.004 0.000 1.397 234 I CB 0.474 38.471 38.000 -0.004 0.000 1.414 234 I HN 0.508 nan 8.210 nan 0.000 0.566 235 I N 4.037 124.603 120.570 -0.005 0.000 2.607 235 I HA 0.594 4.764 4.170 -0.000 0.000 0.305 235 I C 0.530 176.642 176.117 -0.008 0.000 0.995 235 I CA -0.213 61.083 61.300 -0.006 0.000 1.148 235 I CB 1.286 39.282 38.000 -0.006 0.000 1.323 235 I HN 0.729 nan 8.210 nan 0.000 0.461 236 A N 4.992 127.806 122.820 -0.009 0.000 3.659 236 A HA 0.469 4.789 4.320 -0.000 0.000 0.176 236 A C -0.086 177.489 177.584 -0.015 0.000 0.815 236 A CA -0.313 51.718 52.037 -0.011 0.000 1.012 236 A CB 0.317 19.311 19.000 -0.010 0.000 1.677 236 A HN 0.644 nan 8.150 nan 0.000 0.746 237 Q N 0.160 119.950 119.800 -0.017 0.000 2.394 237 Q HA 0.437 4.777 4.340 -0.000 0.000 0.248 237 Q C -0.943 175.045 176.000 -0.019 0.000 0.992 237 Q CA 0.424 56.213 55.803 -0.023 0.000 0.888 237 Q CB 0.621 29.343 28.738 -0.026 0.000 1.257 237 Q HN 0.550 nan 8.270 nan 0.000 0.462 238 T N 1.427 115.966 114.554 -0.024 0.000 2.876 238 T HA 0.344 4.694 4.350 -0.000 0.000 0.289 238 T C -0.584 174.107 174.700 -0.015 0.000 1.014 238 T CA -0.741 61.349 62.100 -0.016 0.000 0.986 238 T CB 1.118 69.977 68.868 -0.014 0.000 1.021 238 T HN 0.346 nan 8.240 nan 0.000 0.458 239 R N 2.492 122.997 120.500 0.009 0.000 2.449 239 R HA 0.252 4.592 4.340 -0.000 0.000 0.296 239 R C 0.200 176.542 176.300 0.070 0.000 1.047 239 R CA -0.301 55.826 56.100 0.045 0.000 1.018 239 R CB 0.042 30.380 30.300 0.062 0.000 0.962 239 R HN 0.399 nan 8.270 nan 0.000 0.428 240 L N 2.433 123.697 121.223 0.069 0.000 2.473 240 L HA 0.028 4.368 4.340 -0.000 0.000 0.268 240 L C 1.174 178.232 176.870 0.313 0.000 1.215 240 L CA 0.845 55.712 54.840 0.046 0.000 0.823 240 L CB 0.927 42.769 42.059 -0.362 0.000 1.099 240 L HN 0.819 nan 8.230 nan 0.000 0.483 241 T N -0.546 114.157 114.554 0.247 0.000 3.087 241 T HA 0.083 4.433 4.350 -0.000 0.000 0.237 241 T C 0.723 175.637 174.700 0.357 0.000 0.990 241 T CA 0.275 62.532 62.100 0.261 0.000 1.160 241 T CB 0.403 69.345 68.868 0.123 0.000 0.923 241 T HN 0.714 nan 8.240 nan 0.000 0.442 242 S N 0.322 116.184 115.700 0.270 0.000 2.715 242 S HA 0.483 4.953 4.470 -0.000 0.000 0.307 242 S C 1.157 175.878 174.600 0.203 0.000 1.119 242 S CA -0.193 58.131 58.200 0.207 0.000 0.937 242 S CB 1.260 64.529 63.200 0.115 0.000 1.150 242 S HN 0.196 nan 8.310 nan 0.000 0.521 243 T N 0.101 114.712 114.554 0.095 0.000 2.607 243 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 243 T C 1.585 176.339 174.700 0.090 0.000 1.049 243 T CA 2.468 64.599 62.100 0.051 0.000 1.162 243 T CB -1.034 67.830 68.868 -0.007 0.000 0.863 243 T HN 0.820 nan 8.240 nan 0.000 0.424 244 E N 0.569 120.805 120.200 0.061 0.000 2.136 244 E HA -0.280 4.070 4.350 -0.000 0.000 0.208 244 E C 2.040 178.664 176.600 0.039 0.000 1.035 244 E CA 2.296 58.721 56.400 0.043 0.000 0.838 244 E CB -0.290 29.428 29.700 0.031 0.000 0.748 244 E HN 0.810 nan 8.360 nan 0.000 0.459 245 E N -0.810 119.418 120.200 0.047 0.000 2.152 245 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 245 E C 1.977 178.522 176.600 -0.092 0.000 0.983 245 E CA 0.734 57.118 56.400 -0.028 0.000 0.818 245 E CB -0.224 29.445 29.700 -0.052 0.000 0.758 245 E HN 0.364 nan 8.360 nan 0.000 0.467 246 F N 1.185 121.092 119.950 -0.071 0.000 2.502 246 F HA 0.021 4.547 4.527 -0.000 0.000 0.298 246 F C 2.349 178.098 175.800 -0.087 0.000 1.111 246 F CA 0.943 58.882 58.000 -0.101 0.000 1.445 246 F CB -0.044 38.857 39.000 -0.165 0.000 1.081 246 F HN 0.059 nan 8.300 nan 0.000 0.558 247 G N -0.462 108.388 108.800 0.084 0.000 2.511 247 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 247 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 247 G C 1.116 176.010 174.900 -0.010 0.000 1.133 247 G CA 0.078 45.195 45.100 0.029 0.000 0.792 247 G HN 0.231 nan 8.290 nan 0.000 0.539 248 K N 0.873 121.255 120.400 -0.030 0.000 3.095 248 K HA 0.344 4.664 4.320 -0.000 0.000 0.220 248 K C -0.477 176.080 176.600 -0.072 0.000 1.216 248 K CA -0.205 56.053 56.287 -0.048 0.000 1.167 248 K CB 0.570 33.044 32.500 -0.044 0.000 1.199 248 K HN 0.235 nan 8.250 nan 0.000 0.458 249 I N 1.864 122.390 120.570 -0.074 0.000 2.336 249 I HA 0.128 4.297 4.170 -0.000 0.000 0.292 249 I C -0.188 175.889 176.117 -0.067 0.000 0.991 249 I CA -1.204 60.045 61.300 -0.086 0.000 1.227 249 I CB 1.056 39.001 38.000 -0.091 0.000 1.366 249 I HN 0.042 nan 8.210 nan 0.000 0.466 250 L N 7.573 128.759 121.223 -0.062 0.000 2.407 250 L HA 0.174 4.514 4.340 -0.000 0.000 0.282 250 L C 0.603 177.444 176.870 -0.048 0.000 1.110 250 L CA 0.554 55.363 54.840 -0.052 0.000 0.863 250 L CB 0.312 42.346 42.059 -0.041 0.000 1.207 250 L HN 0.592 nan 8.230 nan 0.000 0.454 251 L N 3.421 124.609 121.223 -0.059 0.000 2.127 251 L HA 0.127 4.467 4.340 -0.000 0.000 0.203 251 L C 0.891 177.742 176.870 -0.032 0.000 1.080 251 L CA 0.696 55.506 54.840 -0.050 0.000 0.768 251 L CB -0.179 41.833 42.059 -0.078 0.000 0.924 251 L HN 0.618 nan 8.230 nan 0.000 0.444 252 K N -0.792 119.587 120.400 -0.035 0.000 2.607 252 K HA 0.457 4.777 4.320 -0.000 0.000 0.287 252 K C -1.787 174.818 176.600 0.009 0.000 0.996 252 K CA -0.654 55.632 56.287 -0.001 0.000 0.876 252 K CB 2.245 34.760 32.500 0.025 0.000 1.496 252 K HN -0.243 nan 8.250 nan 0.000 0.415 253 V N 0.739 120.669 119.914 0.028 0.000 2.385 253 V HA 0.465 4.585 4.120 -0.000 0.000 0.277 253 V C -0.929 175.195 176.094 0.051 0.000 1.012 253 V CA -1.110 61.212 62.300 0.036 0.000 0.832 253 V CB 0.802 32.637 31.823 0.020 0.000 1.028 253 V HN 0.659 nan 8.190 nan 0.000 0.436 254 N N 3.670 122.418 118.700 0.080 0.000 2.492 254 N HA 0.225 4.965 4.740 -0.000 0.000 0.262 254 N C 1.264 176.799 175.510 0.043 0.000 1.202 254 N CA 0.248 53.341 53.050 0.073 0.000 0.926 254 N CB 1.044 39.590 38.487 0.099 0.000 1.078 254 N HN 0.891 nan 8.380 nan 0.000 0.454 255 Q N 1.298 121.116 119.800 0.029 0.000 2.483 255 Q HA -0.380 3.960 4.340 -0.000 0.000 0.229 255 Q C 0.296 176.305 176.000 0.015 0.000 1.113 255 Q CA 2.420 58.233 55.803 0.017 0.000 1.004 255 Q CB -0.929 27.814 28.738 0.009 0.000 1.033 255 Q HN 0.843 nan 8.270 nan 0.000 0.534 256 D N 0.364 120.773 120.400 0.015 0.000 2.663 256 D HA 0.170 4.809 4.640 -0.000 0.000 0.243 256 D C 0.838 177.149 176.300 0.018 0.000 1.218 256 D CA 0.439 54.446 54.000 0.013 0.000 0.846 256 D CB -0.606 40.199 40.800 0.008 0.000 1.014 256 D HN 0.708 nan 8.370 nan 0.000 0.476 257 G N 1.420 110.233 108.800 0.021 0.000 2.337 257 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.290 257 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.290 257 G C 0.340 175.257 174.900 0.028 0.000 1.003 257 G CA 0.676 45.789 45.100 0.021 0.000 0.825 257 G HN 0.708 nan 8.290 nan 0.000 0.509 258 S N -0.496 115.230 115.700 0.043 0.000 2.448 258 S HA 0.583 5.053 4.470 -0.000 0.000 0.279 258 S C 0.459 175.099 174.600 0.068 0.000 1.195 258 S CA -0.733 57.503 58.200 0.060 0.000 1.051 258 S CB 1.407 64.656 63.200 0.082 0.000 0.948 258 S HN 0.453 nan 8.310 nan 0.000 0.493 259 R N 2.491 123.016 120.500 0.042 0.000 2.296 259 R HA 0.304 4.644 4.340 -0.000 0.000 0.323 259 R C -0.723 175.576 176.300 -0.000 0.000 1.067 259 R CA -0.358 55.752 56.100 0.017 0.000 0.946 259 R CB 0.602 30.903 30.300 0.000 0.000 0.991 259 R HN 0.594 nan 8.270 nan 0.000 0.448 260 V N 6.207 126.097 119.914 -0.040 0.000 2.406 260 V HA 0.273 4.392 4.120 -0.000 0.000 0.272 260 V C 0.492 176.491 176.094 -0.158 0.000 1.043 260 V CA -0.494 61.697 62.300 -0.181 0.000 0.915 260 V CB 0.734 32.353 31.823 -0.340 0.000 0.988 260 V HN 0.574 nan 8.190 nan 0.000 0.466 261 L N 3.763 124.891 121.223 -0.157 0.000 2.335 261 L HA 0.472 4.812 4.340 -0.000 0.000 0.268 261 L C 1.136 177.932 176.870 -0.123 0.000 1.016 261 L CA -0.817 53.958 54.840 -0.109 0.000 0.805 261 L CB 0.841 42.858 42.059 -0.071 0.000 1.311 261 L HN 0.449 nan 8.230 nan 0.000 0.456 262 L N 0.816 121.992 121.223 -0.078 0.000 2.291 262 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 262 L C 2.484 179.324 176.870 -0.049 0.000 1.120 262 L CA 1.479 56.284 54.840 -0.059 0.000 0.799 262 L CB -0.880 41.167 42.059 -0.019 0.000 0.925 262 L HN 0.670 nan 8.230 nan 0.000 0.446 263 R N -0.702 119.773 120.500 -0.042 0.000 2.119 263 R HA -0.113 4.227 4.340 -0.000 0.000 0.222 263 R C 1.407 177.683 176.300 -0.040 0.000 1.088 263 R CA 1.467 57.552 56.100 -0.025 0.000 0.984 263 R CB -0.435 29.858 30.300 -0.012 0.000 0.884 263 R HN 0.348 nan 8.270 nan 0.000 0.447 264 D N 0.881 121.233 120.400 -0.080 0.000 2.144 264 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 264 D C 1.850 178.084 176.300 -0.111 0.000 0.978 264 D CA 1.694 55.636 54.000 -0.097 0.000 0.833 264 D CB 0.140 40.836 40.800 -0.174 0.000 0.961 264 D HN 0.333 nan 8.370 nan 0.000 0.470 265 V N -2.417 117.407 119.914 -0.149 0.000 3.354 265 V HA 0.532 4.652 4.120 -0.000 0.000 0.258 265 V C 0.591 176.649 176.094 -0.060 0.000 1.159 265 V CA 0.582 62.810 62.300 -0.120 0.000 1.125 265 V CB -0.017 31.714 31.823 -0.153 0.000 0.774 265 V HN 0.099 nan 8.190 nan 0.000 0.464 266 A N 0.091 122.890 122.820 -0.034 0.000 2.606 266 A HA 0.656 4.976 4.320 -0.000 0.000 0.293 266 A C -0.718 176.892 177.584 0.043 0.000 1.082 266 A CA -0.781 51.262 52.037 0.010 0.000 0.685 266 A CB 1.473 20.479 19.000 0.009 0.000 1.284 266 A HN 0.333 nan 8.150 nan 0.000 0.408 267 K N 1.188 121.657 120.400 0.114 0.000 2.205 267 K HA 0.658 4.978 4.320 -0.000 0.000 0.279 267 K C -1.249 175.456 176.600 0.175 0.000 1.027 267 K CA -0.202 56.175 56.287 0.151 0.000 0.932 267 K CB 0.412 33.028 32.500 0.193 0.000 1.032 267 K HN 0.552 nan 8.250 nan 0.000 0.466 268 I N 5.200 125.833 120.570 0.105 0.000 2.466 268 I HA 0.182 4.352 4.170 -0.000 0.000 0.279 268 I C -0.687 175.455 176.117 0.041 0.000 1.033 268 I CA -0.622 60.697 61.300 0.032 0.000 1.123 268 I CB 1.449 39.442 38.000 -0.012 0.000 1.237 268 I HN 0.740 nan 8.210 nan 0.000 0.460 269 E N 5.680 125.929 120.200 0.082 0.000 2.312 269 E HA 0.478 4.828 4.350 -0.000 0.000 0.267 269 E C -1.192 175.394 176.600 -0.024 0.000 0.894 269 E CA -1.114 55.321 56.400 0.058 0.000 0.773 269 E CB 2.760 32.546 29.700 0.145 0.000 1.241 269 E HN 0.239 nan 8.360 nan 0.000 0.432 270 L N 2.593 123.743 121.223 -0.121 0.000 2.401 270 L HA 0.429 4.769 4.340 -0.000 0.000 0.283 270 L C -0.126 176.586 176.870 -0.263 0.000 1.151 270 L CA 0.482 55.150 54.840 -0.286 0.000 0.942 270 L CB -0.055 41.731 42.059 -0.454 0.000 1.283 270 L HN 0.750 nan 8.230 nan 0.000 0.442 271 G N 2.596 111.419 108.800 0.038 0.000 2.644 271 G HA2 0.591 4.551 3.960 -0.000 0.000 0.307 271 G HA3 0.591 4.551 3.960 -0.000 0.000 0.307 271 G C -0.205 174.912 174.900 0.360 0.000 1.250 271 G CA -0.433 44.878 45.100 0.352 0.000 0.996 271 G HN 0.764 nan 8.290 nan 0.000 0.489 272 G N -1.301 107.601 108.800 0.170 0.000 2.554 272 G HA2 0.290 4.249 3.960 -0.000 0.000 0.238 272 G HA3 0.290 4.249 3.960 -0.000 0.000 0.238 272 G C 0.680 175.344 174.900 -0.393 0.000 1.259 272 G CA 0.294 45.226 45.100 -0.280 0.000 0.843 272 G HN 0.702 nan 8.290 nan 0.000 0.582 273 E N 0.326 120.375 120.200 -0.252 0.000 2.216 273 E HA -0.085 4.264 4.350 -0.000 0.000 0.192 273 E C 0.442 176.825 176.600 -0.363 0.000 0.988 273 E CA 0.305 56.558 56.400 -0.244 0.000 0.834 273 E CB 0.101 29.758 29.700 -0.071 0.000 0.772 273 E HN 0.477 nan 8.360 nan 0.000 0.479 274 N N -0.490 117.974 118.700 -0.392 0.000 2.571 274 N HA 0.024 4.764 4.740 -0.000 0.000 0.286 274 N C -1.386 173.961 175.510 -0.272 0.000 1.138 274 N CA -0.341 52.553 53.050 -0.261 0.000 0.859 274 N CB 0.756 39.137 38.487 -0.177 0.000 1.414 274 N HN 0.005 nan 8.380 nan 0.000 0.529 275 Y N 1.212 121.506 120.300 -0.010 0.000 2.537 275 Y HA 0.230 4.780 4.550 -0.000 0.000 0.303 275 Y C 1.418 177.309 175.900 -0.015 0.000 1.176 275 Y CA -0.412 57.689 58.100 0.002 0.000 1.273 275 Y CB 0.286 38.765 38.460 0.032 0.000 1.110 275 Y HN 0.451 nan 8.280 nan 0.000 0.518 276 D N 0.907 121.350 120.400 0.072 0.000 2.269 276 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 276 D C 0.352 176.658 176.300 0.011 0.000 0.963 276 D CA 1.068 55.090 54.000 0.035 0.000 0.864 276 D CB 0.328 41.126 40.800 -0.002 0.000 0.936 276 D HN 0.393 nan 8.370 nan 0.000 0.505 277 I N -1.297 119.265 120.570 -0.014 0.000 2.686 277 I HA 0.456 4.626 4.170 -0.000 0.000 0.295 277 I C -0.880 175.228 176.117 -0.016 0.000 1.114 277 I CA -1.421 59.865 61.300 -0.024 0.000 1.038 277 I CB 2.220 40.175 38.000 -0.075 0.000 1.238 277 I HN -0.219 nan 8.210 nan 0.000 0.420 278 I N 1.699 122.262 120.570 -0.010 0.000 2.610 278 I HA 0.945 5.115 4.170 -0.000 0.000 0.289 278 I C -0.603 175.481 176.117 -0.056 0.000 1.163 278 I CA -0.954 60.336 61.300 -0.018 0.000 1.044 278 I CB 1.943 39.939 38.000 -0.006 0.000 1.251 278 I HN 0.819 nan 8.210 nan 0.000 0.424 279 A N 4.162 126.932 122.820 -0.084 0.000 2.324 279 A HA 0.830 5.150 4.320 -0.000 0.000 0.330 279 A C -0.519 176.920 177.584 -0.242 0.000 1.165 279 A CA -0.484 51.416 52.037 -0.229 0.000 0.813 279 A CB 1.046 19.862 19.000 -0.306 0.000 1.197 279 A HN 0.808 nan 8.150 nan 0.000 0.484 280 E N 1.343 121.358 120.200 -0.308 0.000 2.402 280 E HA 0.206 4.556 4.350 -0.000 0.000 0.244 280 E C -1.514 174.973 176.600 -0.188 0.000 0.945 280 E CA -0.303 55.986 56.400 -0.187 0.000 0.774 280 E CB 1.250 30.880 29.700 -0.117 0.000 1.296 280 E HN 0.540 nan 8.360 nan 0.000 0.414 281 F N 3.753 123.534 119.950 -0.282 0.000 2.502 281 F HA 0.071 4.598 4.527 -0.000 0.000 0.361 281 F C 0.100 175.885 175.800 -0.025 0.000 1.157 281 F CA -0.324 57.603 58.000 -0.121 0.000 1.096 281 F CB -0.458 38.552 39.000 0.016 0.000 1.141 281 F HN 0.458 nan 8.300 nan 0.000 0.579 282 N N 3.757 122.203 118.700 -0.424 0.000 2.740 282 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 282 N C 0.724 176.140 175.510 -0.157 0.000 1.062 282 N CA 1.140 53.979 53.050 -0.351 0.000 0.704 282 N CB -1.499 36.639 38.487 -0.582 0.000 0.968 282 N HN 1.195 nan 8.380 nan 0.000 0.547 283 G N -1.027 107.729 108.800 -0.073 0.000 2.179 283 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 283 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 283 G C -0.184 174.696 174.900 -0.034 0.000 1.010 283 G CA 0.727 45.820 45.100 -0.012 0.000 0.736 283 G HN 0.876 nan 8.290 nan 0.000 0.513 284 Q N -0.137 119.639 119.800 -0.039 0.000 2.356 284 Q HA 0.657 4.997 4.340 -0.000 0.000 0.270 284 Q C -2.980 173.027 176.000 0.012 0.000 1.058 284 Q CA -2.466 53.334 55.803 -0.005 0.000 0.802 284 Q CB 2.763 31.509 28.738 0.015 0.000 1.303 284 Q HN 0.117 nan 8.270 nan 0.000 0.444 285 P HA 0.339 nan 4.420 nan 0.000 0.271 285 P C -1.450 175.853 177.300 0.004 0.000 1.216 285 P CA 0.121 63.217 63.100 -0.007 0.000 0.771 285 P CB 1.158 32.856 31.700 -0.002 0.000 0.864 286 A N 1.587 124.393 122.820 -0.024 0.000 2.567 286 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 286 A C -1.069 176.491 177.584 -0.040 0.000 1.048 286 A CA -0.384 51.640 52.037 -0.021 0.000 0.661 286 A CB 0.808 19.818 19.000 0.017 0.000 1.288 286 A HN 0.378 nan 8.150 nan 0.000 0.424 287 S N -1.659 114.030 115.700 -0.020 0.000 2.677 287 S HA 0.941 5.411 4.470 -0.000 0.000 0.304 287 S C 0.171 174.789 174.600 0.029 0.000 1.108 287 S CA 0.302 58.516 58.200 0.024 0.000 0.944 287 S CB 1.795 64.995 63.200 0.000 0.000 1.127 287 S HN 2.267 nan 8.310 nan 0.000 0.511 288 G N 0.223 109.061 108.800 0.064 0.000 2.753 288 G HA2 0.615 4.575 3.960 -0.000 0.000 0.303 288 G HA3 0.615 4.575 3.960 -0.000 0.000 0.303 288 G C -2.222 172.666 174.900 -0.020 0.000 1.242 288 G CA -0.572 44.486 45.100 -0.071 0.000 0.810 288 G HN 0.700 nan 8.290 nan 0.000 0.515 289 L N 0.731 121.875 121.223 -0.132 0.000 2.491 289 L HA 0.569 4.909 4.340 -0.000 0.000 0.267 289 L C 0.083 176.948 176.870 -0.007 0.000 0.971 289 L CA -0.681 54.174 54.840 0.026 0.000 0.857 289 L CB 2.426 44.485 42.059 -0.000 0.000 1.226 289 L HN 0.754 nan 8.230 nan 0.000 0.408 290 G N 4.298 113.263 108.800 0.276 0.000 2.922 290 G HA2 0.524 4.484 3.960 -0.000 0.000 0.335 290 G HA3 0.524 4.484 3.960 -0.000 0.000 0.335 290 G C -0.304 174.870 174.900 0.458 0.000 1.016 290 G CA -0.296 44.967 45.100 0.271 0.000 1.306 290 G HN 0.353 nan 8.290 nan 0.000 0.465 291 I N 1.399 122.136 120.570 0.277 0.000 2.588 291 I HA 0.216 4.386 4.170 -0.000 0.000 0.283 291 I C 0.675 176.946 176.117 0.257 0.000 1.119 291 I CA 0.170 61.606 61.300 0.227 0.000 1.419 291 I CB 1.193 39.268 38.000 0.125 0.000 1.394 291 I HN 0.349 nan 8.210 nan 0.000 0.562 292 K N 6.496 126.986 120.400 0.150 0.000 2.259 292 K HA 0.525 4.845 4.320 -0.000 0.000 0.249 292 K C -0.933 175.682 176.600 0.027 0.000 0.942 292 K CA -0.770 55.535 56.287 0.030 0.000 0.816 292 K CB 1.387 33.844 32.500 -0.071 0.000 1.155 292 K HN 0.491 nan 8.250 nan 0.000 0.428 293 L N 1.709 122.938 121.223 0.009 0.000 2.475 293 L HA 0.345 4.685 4.340 -0.000 0.000 0.253 293 L C -0.190 176.685 176.870 0.007 0.000 1.198 293 L CA -0.218 54.634 54.840 0.019 0.000 0.814 293 L CB 1.337 43.411 42.059 0.025 0.000 1.134 293 L HN 0.957 nan 8.230 nan 0.000 0.478 294 A N 0.799 123.624 122.820 0.009 0.000 2.644 294 A HA 0.342 4.662 4.320 -0.000 0.000 0.343 294 A C 0.260 177.840 177.584 -0.008 0.000 1.324 294 A CA -0.443 51.593 52.037 -0.002 0.000 0.846 294 A CB -0.224 18.776 19.000 -0.000 0.000 1.128 294 A HN 0.767 nan 8.150 nan 0.000 0.484 295 T N 1.511 116.057 114.554 -0.013 0.000 2.460 295 T HA 0.017 4.367 4.350 -0.000 0.000 0.469 295 T C 1.414 176.103 174.700 -0.020 0.000 1.020 295 T CA 2.151 64.239 62.100 -0.020 0.000 3.926 295 T CB -1.080 67.762 68.868 -0.043 0.000 0.571 295 T HN 2.210 nan 8.240 nan 0.000 0.200 296 G N 0.010 108.808 108.800 -0.003 0.000 2.154 296 G HA2 0.128 4.088 3.960 -0.000 0.000 0.186 296 G HA3 0.128 4.088 3.960 -0.000 0.000 0.186 296 G C 0.188 175.095 174.900 0.011 0.000 1.000 296 G CA -0.185 44.917 45.100 0.004 0.000 0.664 296 G HN 1.278 nan 8.290 nan 0.000 0.513 297 A N -0.067 122.761 122.820 0.015 0.000 2.296 297 A HA 0.662 4.982 4.320 -0.000 0.000 0.264 297 A C 1.263 178.864 177.584 0.029 0.000 1.097 297 A CA 0.277 52.326 52.037 0.020 0.000 0.811 297 A CB 0.279 19.291 19.000 0.021 0.000 1.072 297 A HN 0.232 nan 8.150 nan 0.000 0.495 298 N N 0.249 118.967 118.700 0.029 0.000 2.461 298 N HA 0.136 4.876 4.740 -0.000 0.000 0.188 298 N C 1.334 176.867 175.510 0.039 0.000 1.134 298 N CA 1.064 54.133 53.050 0.032 0.000 0.878 298 N CB -0.125 38.378 38.487 0.026 0.000 0.972 298 N HN 0.927 nan 8.380 nan 0.000 0.456 299 A N 1.535 124.382 122.820 0.046 0.000 4.599 299 A HA -0.333 3.987 4.320 -0.000 0.000 0.336 299 A C 1.511 179.128 177.584 0.056 0.000 1.823 299 A CA 1.816 53.889 52.037 0.059 0.000 0.766 299 A CB -1.751 17.293 19.000 0.073 0.000 1.419 299 A HN 0.309 nan 8.150 nan 0.000 0.464 300 L N 0.386 121.639 121.223 0.050 0.000 2.265 300 L HA -0.008 4.332 4.340 -0.000 0.000 0.215 300 L C 1.511 178.400 176.870 0.030 0.000 1.117 300 L CA 3.233 58.098 54.840 0.041 0.000 0.782 300 L CB -0.569 41.506 42.059 0.027 0.000 0.914 300 L HN 0.592 nan 8.230 nan 0.000 0.441 301 D N -1.647 118.769 120.400 0.027 0.000 2.240 301 D HA -0.054 4.586 4.640 -0.000 0.000 0.206 301 D C 2.051 178.366 176.300 0.025 0.000 0.963 301 D CA 1.271 55.283 54.000 0.021 0.000 0.863 301 D CB -0.094 40.716 40.800 0.016 0.000 0.973 301 D HN 0.248 nan 8.370 nan 0.000 0.501 302 T N 0.162 114.735 114.554 0.032 0.000 2.708 302 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 302 T C 1.966 176.690 174.700 0.041 0.000 1.037 302 T CA 1.461 63.582 62.100 0.035 0.000 1.146 302 T CB -0.243 68.648 68.868 0.039 0.000 0.865 302 T HN 0.185 nan 8.240 nan 0.000 0.435 303 A N 0.880 123.729 122.820 0.048 0.000 2.014 303 A HA 0.369 4.689 4.320 -0.000 0.000 0.218 303 A C 2.508 180.119 177.584 0.045 0.000 1.163 303 A CA 1.416 53.486 52.037 0.055 0.000 0.652 303 A CB -0.705 18.335 19.000 0.068 0.000 0.808 303 A HN 0.481 nan 8.150 nan 0.000 0.449 304 A N -0.267 122.573 122.820 0.033 0.000 1.968 304 A HA 0.289 4.609 4.320 -0.000 0.000 0.217 304 A C 2.221 179.818 177.584 0.023 0.000 1.169 304 A CA 1.583 53.633 52.037 0.022 0.000 0.638 304 A CB -0.581 18.427 19.000 0.013 0.000 0.812 304 A HN 0.983 nan 8.150 nan 0.000 0.446 305 A N -0.966 121.870 122.820 0.026 0.000 2.251 305 A HA 0.347 4.667 4.320 -0.000 0.000 0.209 305 A C 1.792 179.395 177.584 0.032 0.000 1.187 305 A CA 0.244 52.296 52.037 0.024 0.000 0.823 305 A CB -0.430 18.582 19.000 0.020 0.000 0.846 305 A HN 0.452 nan 8.150 nan 0.000 0.486 306 I N -0.907 119.687 120.570 0.041 0.000 2.252 306 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 306 I C 2.638 178.789 176.117 0.056 0.000 1.102 306 I CA 1.250 62.580 61.300 0.050 0.000 1.385 306 I CB -0.026 38.011 38.000 0.061 0.000 1.064 306 I HN 0.286 nan 8.210 nan 0.000 0.414 307 R N 1.550 122.085 120.500 0.059 0.000 2.090 307 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 307 R C 2.101 178.425 176.300 0.041 0.000 1.110 307 R CA 1.685 57.822 56.100 0.063 0.000 0.973 307 R CB -0.739 29.592 30.300 0.052 0.000 0.869 307 R HN 0.314 nan 8.270 nan 0.000 0.440 308 A N 0.385 123.222 122.820 0.029 0.000 1.883 308 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 308 A C 2.121 179.717 177.584 0.020 0.000 1.186 308 A CA 1.877 53.926 52.037 0.020 0.000 0.624 308 A CB -0.686 18.323 19.000 0.015 0.000 0.822 308 A HN 0.455 nan 8.150 nan 0.000 0.444 309 E N -0.211 120.002 120.200 0.022 0.000 2.072 309 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 309 E C 1.788 178.402 176.600 0.023 0.000 0.985 309 E CA 1.132 57.544 56.400 0.020 0.000 0.801 309 E CB -0.411 29.301 29.700 0.019 0.000 0.750 309 E HN 0.492 nan 8.360 nan 0.000 0.452 310 L N -0.332 120.910 121.223 0.032 0.000 2.456 310 L HA 0.038 4.378 4.340 -0.000 0.000 0.224 310 L C 1.992 178.875 176.870 0.022 0.000 1.148 310 L CA 1.083 55.947 54.840 0.040 0.000 0.825 310 L CB -0.227 41.869 42.059 0.061 0.000 0.937 310 L HN 0.253 nan 8.230 nan 0.000 0.450 311 A N -0.812 122.017 122.820 0.016 0.000 2.015 311 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 311 A C 2.006 179.577 177.584 -0.022 0.000 1.163 311 A CA 1.134 53.170 52.037 -0.002 0.000 0.646 311 A CB -0.161 18.843 19.000 0.006 0.000 0.806 311 A HN 0.265 nan 8.150 nan 0.000 0.448 312 K N -1.305 119.097 120.400 0.002 0.000 2.358 312 K HA 0.324 4.644 4.320 -0.000 0.000 0.197 312 K C 1.186 177.826 176.600 0.066 0.000 1.025 312 K CA 0.273 56.585 56.287 0.041 0.000 1.104 312 K CB 0.097 32.630 32.500 0.055 0.000 0.855 312 K HN 0.520 nan 8.250 nan 0.000 0.531 313 M N 0.352 119.946 119.600 -0.009 0.000 2.357 313 M HA -0.000 4.480 4.480 -0.000 0.000 0.266 313 M C 1.559 177.575 176.300 -0.473 0.000 1.095 313 M CA 1.037 56.326 55.300 -0.018 0.000 1.156 313 M CB 0.007 32.664 32.600 0.094 0.000 1.365 313 M HN 0.050 nan 8.290 nan 0.000 0.447 314 E N 0.501 120.306 120.200 -0.657 0.000 2.113 314 E HA -0.259 4.091 4.350 -0.000 0.000 0.210 314 E C -0.785 175.291 176.600 -0.874 0.000 1.040 314 E CA 1.719 57.486 56.400 -1.055 0.000 0.847 314 E CB -1.693 27.769 29.700 -0.396 0.000 0.755 314 E HN 0.428 nan 8.360 nan 0.000 0.459 315 P HA -0.094 nan 4.420 nan 0.000 0.222 315 P C 0.558 177.617 177.300 -0.402 0.000 1.153 315 P CA 1.023 63.891 63.100 -0.386 0.000 0.798 315 P CB -0.022 31.416 31.700 -0.438 0.000 0.796 316 F N -2.075 117.818 119.950 -0.094 0.000 2.645 316 F HA 0.220 4.747 4.527 -0.000 0.000 0.300 316 F C 0.701 176.687 175.800 0.311 0.000 1.115 316 F CA -0.565 57.489 58.000 0.089 0.000 1.355 316 F CB -0.617 38.448 39.000 0.107 0.000 1.026 316 F HN -0.243 nan 8.300 nan 0.000 0.536 317 F N 2.918 123.016 119.950 0.246 0.000 2.471 317 F HA 0.270 4.797 4.527 -0.000 0.000 0.353 317 F C -1.153 174.727 175.800 0.134 0.000 1.113 317 F CA -3.614 54.542 58.000 0.259 0.000 1.262 317 F CB -0.428 38.688 39.000 0.193 0.000 1.146 317 F HN -0.050 nan 8.300 nan 0.000 0.578 318 P HA 0.073 nan 4.420 nan 0.000 0.293 318 P C -0.569 176.787 177.300 0.093 0.000 1.298 318 P CA -0.542 62.614 63.100 0.092 0.000 0.757 318 P CB 0.343 32.017 31.700 -0.044 0.000 1.262 319 S N -1.194 114.535 115.700 0.049 0.000 2.515 319 S HA 0.361 4.830 4.470 -0.000 0.000 0.285 319 S C 1.229 175.855 174.600 0.044 0.000 1.265 319 S CA 0.720 58.948 58.200 0.047 0.000 1.079 319 S CB -1.477 61.740 63.200 0.029 0.000 0.877 319 S HN 0.935 nan 8.310 nan 0.000 0.493 320 G N 3.745 112.580 108.800 0.058 0.000 2.284 320 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.230 320 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.230 320 G C 0.129 175.061 174.900 0.054 0.000 1.021 320 G CA 0.013 45.143 45.100 0.050 0.000 0.619 320 G HN 0.787 nan 8.290 nan 0.000 0.510 321 L N 1.811 123.070 121.223 0.060 0.000 2.456 321 L HA 0.531 4.871 4.340 -0.000 0.000 0.277 321 L C 0.446 177.376 176.870 0.099 0.000 1.124 321 L CA 0.690 55.534 54.840 0.007 0.000 0.880 321 L CB 0.613 42.620 42.059 -0.086 0.000 1.192 321 L HN 0.495 nan 8.230 nan 0.000 0.463 322 K N 5.099 125.532 120.400 0.055 0.000 2.443 322 K HA 0.612 4.932 4.320 -0.000 0.000 0.251 322 K C -0.961 175.653 176.600 0.024 0.000 0.972 322 K CA -0.817 55.536 56.287 0.110 0.000 0.833 322 K CB 2.143 34.696 32.500 0.087 0.000 1.317 322 K HN 0.457 nan 8.250 nan 0.000 0.441 323 I N 2.318 122.911 120.570 0.038 0.000 2.577 323 I HA 0.518 4.688 4.170 -0.000 0.000 0.305 323 I C -0.496 175.484 176.117 -0.227 0.000 0.986 323 I CA -1.169 60.051 61.300 -0.133 0.000 1.189 323 I CB 1.653 39.594 38.000 -0.098 0.000 1.355 323 I HN 0.388 nan 8.210 nan 0.000 0.476 324 V N 5.376 124.985 119.914 -0.507 0.000 3.048 324 V HA 0.446 4.566 4.120 -0.000 0.000 0.303 324 V C -1.983 173.725 176.094 -0.643 0.000 1.214 324 V CA -0.393 61.649 62.300 -0.429 0.000 0.984 324 V CB 2.625 34.181 31.823 -0.446 0.000 1.054 324 V HN 0.545 nan 8.190 nan 0.000 0.430 325 Y N 6.457 126.680 120.300 -0.128 0.000 2.447 325 Y HA 0.657 5.207 4.550 -0.000 0.000 0.325 325 Y C -2.055 173.825 175.900 -0.034 0.000 0.976 325 Y CA -1.916 56.124 58.100 -0.099 0.000 1.280 325 Y CB 1.264 39.700 38.460 -0.041 0.000 1.104 325 Y HN 0.574 nan 8.280 nan 0.000 0.486 326 P HA 0.122 nan 4.420 nan 0.000 0.321 326 P C -0.482 176.891 177.300 0.121 0.000 1.304 326 P CA -0.844 62.320 63.100 0.107 0.000 0.759 326 P CB 0.884 32.644 31.700 0.099 0.000 1.385 327 Y N 0.480 120.762 120.300 -0.031 0.000 2.947 327 Y HA -0.255 4.295 4.550 -0.000 0.000 0.243 327 Y C -0.483 175.387 175.900 -0.050 0.000 1.283 327 Y CA 0.185 58.237 58.100 -0.079 0.000 0.956 327 Y CB -0.928 37.417 38.460 -0.192 0.000 1.372 327 Y HN 0.292 nan 8.280 nan 0.000 0.334 328 D N 3.577 124.144 120.400 0.277 0.000 2.863 328 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 328 D C 0.413 176.832 176.300 0.199 0.000 1.211 328 D CA -0.274 53.856 54.000 0.216 0.000 0.888 328 D CB 1.978 42.870 40.800 0.153 0.000 1.483 328 D HN 0.278 nan 8.370 nan 0.000 0.533 329 T N 1.608 116.293 114.554 0.218 0.000 2.737 329 T HA -0.107 4.242 4.350 -0.000 0.000 0.265 329 T C 1.563 176.392 174.700 0.215 0.000 1.038 329 T CA 1.815 64.049 62.100 0.223 0.000 1.144 329 T CB -0.264 68.737 68.868 0.222 0.000 0.866 329 T HN 0.587 nan 8.240 nan 0.000 0.434 330 T N 2.389 117.036 114.554 0.155 0.000 2.578 330 T HA -0.196 4.154 4.350 -0.000 0.000 0.252 330 T C -0.748 174.036 174.700 0.142 0.000 1.192 330 T CA 2.318 64.488 62.100 0.117 0.000 1.143 330 T CB -1.443 67.461 68.868 0.061 0.000 0.848 330 T HN 0.379 nan 8.240 nan 0.000 0.450 331 P HA 0.081 nan 4.420 nan 0.000 0.233 331 P C 1.007 178.501 177.300 0.323 0.000 1.167 331 P CA 0.427 63.644 63.100 0.196 0.000 0.770 331 P CB -0.155 31.654 31.700 0.182 0.000 0.837 332 F N 0.211 120.285 119.950 0.207 0.000 2.206 332 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 332 F C 2.005 177.860 175.800 0.092 0.000 1.090 332 F CA 0.974 59.110 58.000 0.228 0.000 1.323 332 F CB -0.751 38.396 39.000 0.245 0.000 1.028 332 F HN -0.306 nan 8.300 nan 0.000 0.492 333 V N 0.438 120.398 119.914 0.077 0.000 2.261 333 V HA -0.346 3.774 4.120 -0.000 0.000 0.246 333 V C 2.438 178.481 176.094 -0.084 0.000 1.047 333 V CA 2.323 64.585 62.300 -0.062 0.000 1.015 333 V CB -0.762 31.066 31.823 0.008 0.000 0.642 333 V HN 0.204 nan 8.190 nan 0.000 0.446 334 K N -0.488 119.907 120.400 -0.009 0.000 2.089 334 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 334 K C 1.818 178.409 176.600 -0.015 0.000 1.048 334 K CA 2.027 58.309 56.287 -0.007 0.000 0.926 334 K CB -0.346 32.169 32.500 0.024 0.000 0.714 334 K HN 0.383 nan 8.250 nan 0.000 0.448 335 I N -0.327 120.219 120.570 -0.040 0.000 2.703 335 I HA -0.098 4.072 4.170 -0.000 0.000 0.259 335 I C 1.584 177.589 176.117 -0.187 0.000 1.151 335 I CA 0.911 62.169 61.300 -0.070 0.000 1.470 335 I CB 0.123 38.070 38.000 -0.089 0.000 1.112 335 I HN 0.048 nan 8.210 nan 0.000 0.437 336 S N 0.319 115.815 115.700 -0.340 0.000 2.387 336 S HA -0.032 4.438 4.470 -0.000 0.000 0.226 336 S C 2.063 176.553 174.600 -0.183 0.000 1.026 336 S CA 1.128 59.112 58.200 -0.360 0.000 0.972 336 S CB -0.310 62.552 63.200 -0.564 0.000 0.814 336 S HN 0.369 nan 8.310 nan 0.000 0.477 337 I N 1.019 121.509 120.570 -0.132 0.000 2.179 337 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 337 I C 2.555 178.676 176.117 0.007 0.000 1.088 337 I CA 1.654 62.925 61.300 -0.049 0.000 1.357 337 I CB -0.384 37.593 38.000 -0.037 0.000 1.051 337 I HN 0.323 nan 8.210 nan 0.000 0.409 338 H N 1.003 120.018 119.070 -0.092 0.000 2.457 338 H HA -0.088 4.468 4.556 -0.000 0.000 0.294 338 H C 1.943 177.225 175.328 -0.076 0.000 1.064 338 H CA 1.359 57.364 56.048 -0.072 0.000 1.330 338 H CB 0.167 29.887 29.762 -0.069 0.000 1.395 338 H HN 0.214 nan 8.280 nan 0.000 0.541 339 E N -0.521 119.557 120.200 -0.203 0.000 2.318 339 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 339 E C 2.270 178.773 176.600 -0.161 0.000 0.998 339 E CA 0.458 56.709 56.400 -0.248 0.000 0.859 339 E CB 0.284 29.857 29.700 -0.212 0.000 0.812 339 E HN 0.345 nan 8.360 nan 0.000 0.492 340 V N 0.698 120.563 119.914 -0.082 0.000 2.446 340 V HA -0.124 3.996 4.120 -0.000 0.000 0.244 340 V C 2.365 178.445 176.094 -0.023 0.000 1.039 340 V CA 0.848 63.142 62.300 -0.011 0.000 1.045 340 V CB -0.087 31.791 31.823 0.092 0.000 0.681 340 V HN 0.032 nan 8.190 nan 0.000 0.459 341 V N -0.014 119.888 119.914 -0.020 0.000 2.759 341 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 341 V C 2.372 178.431 176.094 -0.059 0.000 1.080 341 V CA 1.878 64.174 62.300 -0.006 0.000 1.101 341 V CB -0.617 31.224 31.823 0.030 0.000 0.698 341 V HN 0.472 nan 8.190 nan 0.000 0.477 342 K N 0.208 120.524 120.400 -0.141 0.000 2.057 342 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 342 K C 2.206 178.731 176.600 -0.125 0.000 1.050 342 K CA 1.777 57.961 56.287 -0.173 0.000 0.935 342 K CB -0.494 31.832 32.500 -0.290 0.000 0.715 342 K HN 0.458 nan 8.250 nan 0.000 0.439 343 T N 2.330 116.811 114.554 -0.122 0.000 2.746 343 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 343 T C 1.512 176.157 174.700 -0.091 0.000 1.039 343 T CA 1.224 63.255 62.100 -0.116 0.000 1.142 343 T CB -0.289 68.500 68.868 -0.131 0.000 0.866 343 T HN 0.157 nan 8.240 nan 0.000 0.444 344 L N 1.771 122.957 121.223 -0.062 0.000 1.997 344 L HA -0.141 4.199 4.340 -0.000 0.000 0.216 344 L C 2.348 179.190 176.870 -0.047 0.000 1.074 344 L CA 2.096 56.912 54.840 -0.041 0.000 0.763 344 L CB -1.142 40.915 42.059 -0.004 0.000 0.890 344 L HN 0.177 nan 8.230 nan 0.000 0.434 345 V N 0.228 120.113 119.914 -0.048 0.000 2.548 345 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 345 V C 2.542 178.601 176.094 -0.059 0.000 1.055 345 V CA 1.620 63.890 62.300 -0.050 0.000 1.065 345 V CB -0.547 31.248 31.823 -0.047 0.000 0.681 345 V HN 0.464 nan 8.190 nan 0.000 0.462 346 E N 0.651 120.810 120.200 -0.069 0.000 2.077 346 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 346 E C 2.296 178.855 176.600 -0.070 0.000 0.989 346 E CA 1.310 57.668 56.400 -0.071 0.000 0.800 346 E CB -0.307 29.341 29.700 -0.086 0.000 0.746 346 E HN 0.598 nan 8.360 nan 0.000 0.452 347 A N 0.678 123.450 122.820 -0.080 0.000 2.066 347 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 347 A C 2.008 179.561 177.584 -0.052 0.000 1.157 347 A CA 0.717 52.702 52.037 -0.086 0.000 0.670 347 A CB -0.329 18.606 19.000 -0.108 0.000 0.804 347 A HN 0.109 nan 8.150 nan 0.000 0.453 348 I N -0.654 119.893 120.570 -0.039 0.000 2.185 348 I HA -0.174 3.996 4.170 -0.000 0.000 0.235 348 I C 2.229 178.353 176.117 0.012 0.000 1.069 348 I CA 1.056 62.346 61.300 -0.017 0.000 1.354 348 I CB -0.447 37.533 38.000 -0.033 0.000 1.093 348 I HN 0.220 nan 8.210 nan 0.000 0.411 349 I N 0.969 121.528 120.570 -0.018 0.000 2.147 349 I HA -0.383 3.787 4.170 -0.000 0.000 0.245 349 I C 2.499 178.661 176.117 0.075 0.000 1.059 349 I CA 1.683 62.984 61.300 0.001 0.000 1.320 349 I CB -0.313 37.663 38.000 -0.040 0.000 1.021 349 I HN 0.299 nan 8.210 nan 0.000 0.415 350 L N -0.618 120.618 121.223 0.022 0.000 2.109 350 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 350 L C 2.598 179.477 176.870 0.014 0.000 1.086 350 L CA 1.037 55.882 54.840 0.008 0.000 0.760 350 L CB -0.675 41.360 42.059 -0.040 0.000 0.910 350 L HN 0.150 nan 8.230 nan 0.000 0.437 351 V N -0.177 119.747 119.914 0.016 0.000 2.490 351 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 351 V C 2.255 178.376 176.094 0.045 0.000 1.061 351 V CA 1.676 63.981 62.300 0.008 0.000 1.064 351 V CB -0.353 31.474 31.823 0.007 0.000 0.670 351 V HN 0.363 nan 8.190 nan 0.000 0.461 352 F N -0.289 119.631 119.950 -0.051 0.000 2.293 352 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 352 F C 1.825 177.625 175.800 -0.001 0.000 1.086 352 F CA 1.518 59.489 58.000 -0.047 0.000 1.375 352 F CB 0.050 39.007 39.000 -0.071 0.000 1.045 352 F HN 0.096 nan 8.300 nan 0.000 0.516 353 L N -1.037 120.241 121.223 0.092 0.000 2.095 353 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 353 L C 2.301 179.160 176.870 -0.020 0.000 1.080 353 L CA 0.646 55.516 54.840 0.051 0.000 0.759 353 L CB -0.932 41.173 42.059 0.078 0.000 0.914 353 L HN -0.071 nan 8.230 nan 0.000 0.439 354 V N -0.412 119.460 119.914 -0.070 0.000 2.626 354 V HA -0.264 3.856 4.120 -0.000 0.000 0.252 354 V C 2.421 178.419 176.094 -0.159 0.000 1.067 354 V CA 1.559 63.764 62.300 -0.157 0.000 1.081 354 V CB -0.374 31.319 31.823 -0.217 0.000 0.686 354 V HN 0.338 nan 8.190 nan 0.000 0.468 355 M N -1.393 118.136 119.600 -0.118 0.000 2.254 355 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 355 M C 2.008 178.314 176.300 0.011 0.000 1.066 355 M CA 1.665 56.913 55.300 -0.086 0.000 1.123 355 M CB -0.458 32.062 32.600 -0.133 0.000 1.388 355 M HN 0.401 nan 8.290 nan 0.000 0.425 356 Y N -0.319 119.858 120.300 -0.205 0.000 2.337 356 Y HA 0.010 4.560 4.550 -0.000 0.000 0.293 356 Y C 1.695 177.664 175.900 0.116 0.000 1.123 356 Y CA 1.132 59.176 58.100 -0.094 0.000 1.201 356 Y CB -0.131 38.218 38.460 -0.184 0.000 1.011 356 Y HN 0.074 nan 8.280 nan 0.000 0.545 357 L N -1.687 119.610 121.223 0.124 0.000 2.141 357 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 357 L C 1.748 178.759 176.870 0.234 0.000 1.094 357 L CA 1.413 56.319 54.840 0.109 0.000 0.763 357 L CB -0.690 41.371 42.059 0.003 0.000 0.908 357 L HN 0.203 nan 8.230 nan 0.000 0.437 358 F N -0.430 119.483 119.950 -0.063 0.000 2.437 358 F HA 0.155 4.682 4.527 -0.000 0.000 0.288 358 F C 1.194 177.041 175.800 0.078 0.000 1.085 358 F CA -0.015 57.960 58.000 -0.041 0.000 1.430 358 F CB 0.017 38.986 39.000 -0.052 0.000 1.120 358 F HN -0.172 nan 8.300 nan 0.000 0.556 359 L N 1.747 123.128 121.223 0.264 0.000 2.297 359 L HA 0.283 4.623 4.340 -0.000 0.000 0.277 359 L C 1.402 178.379 176.870 0.179 0.000 1.040 359 L CA -0.263 54.707 54.840 0.216 0.000 0.867 359 L CB 0.975 43.135 42.059 0.168 0.000 1.244 359 L HN 0.182 nan 8.230 nan 0.000 0.433 360 Q N 2.091 122.005 119.800 0.190 0.000 2.291 360 Q HA -0.074 4.266 4.340 -0.000 0.000 0.206 360 Q C 0.170 176.270 176.000 0.166 0.000 0.976 360 Q CA 0.775 56.608 55.803 0.049 0.000 0.875 360 Q CB 0.143 28.983 28.738 0.169 0.000 0.927 360 Q HN 0.614 nan 8.270 nan 0.000 0.450 361 N N 0.955 119.784 118.700 0.214 0.000 2.411 361 N HA -0.069 4.671 4.740 -0.000 0.000 0.261 361 N C -0.061 175.694 175.510 0.408 0.000 1.248 361 N CA 0.137 53.347 53.050 0.267 0.000 0.885 361 N CB 0.433 39.025 38.487 0.174 0.000 1.062 361 N HN 0.213 nan 8.380 nan 0.000 0.471 362 F N 4.445 124.581 119.950 0.310 0.000 2.098 362 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 362 F C 2.435 178.323 175.800 0.146 0.000 1.107 362 F CA 1.181 59.322 58.000 0.234 0.000 1.234 362 F CB 0.021 39.121 39.000 0.167 0.000 1.002 362 F HN 0.512 nan 8.300 nan 0.000 0.472 363 R N 0.730 121.386 120.500 0.260 0.000 2.178 363 R HA -0.251 4.088 4.340 -0.000 0.000 0.257 363 R C 2.109 178.455 176.300 0.076 0.000 1.163 363 R CA 1.739 57.925 56.100 0.143 0.000 0.981 363 R CB -1.717 28.675 30.300 0.154 0.000 0.878 363 R HN 0.357 nan 8.270 nan 0.000 0.454 364 A N 0.914 123.788 122.820 0.090 0.000 1.929 364 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 364 A C 1.771 179.363 177.584 0.014 0.000 1.176 364 A CA 1.336 53.416 52.037 0.071 0.000 0.628 364 A CB -0.291 18.772 19.000 0.104 0.000 0.816 364 A HN 0.377 nan 8.150 nan 0.000 0.444 365 T N 0.179 114.698 114.554 -0.058 0.000 4.104 365 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 365 T C 0.426 175.009 174.700 -0.195 0.000 1.346 365 T CA 0.244 62.213 62.100 -0.218 0.000 1.158 365 T CB -0.704 67.862 68.868 -0.503 0.000 1.290 365 T HN 0.329 nan 8.240 nan 0.000 0.975 366 L N 2.491 123.691 121.223 -0.040 0.000 1.967 366 L HA 0.151 4.491 4.340 -0.000 0.000 0.222 366 L C 1.803 178.705 176.870 0.052 0.000 1.189 366 L CA 0.150 55.002 54.840 0.020 0.000 1.303 366 L CB -0.342 41.719 42.059 0.003 0.000 2.607 366 L HN 0.383 nan 8.230 nan 0.000 0.524 367 I N 1.985 122.589 120.570 0.057 0.000 2.142 367 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 367 I C -0.627 175.510 176.117 0.034 0.000 1.078 367 I CA 1.596 62.936 61.300 0.067 0.000 1.343 367 I CB -1.583 36.464 38.000 0.077 0.000 1.046 367 I HN 0.265 nan 8.210 nan 0.000 0.405 368 P HA -0.025 nan 4.420 nan 0.000 0.217 368 P C 1.701 179.008 177.300 0.012 0.000 1.154 368 P CA 1.296 64.403 63.100 0.011 0.000 0.841 368 P CB -0.196 31.509 31.700 0.007 0.000 0.790 369 T N 0.228 114.805 114.554 0.037 0.000 2.714 369 T HA -0.147 4.202 4.350 -0.000 0.000 0.268 369 T C 1.344 176.049 174.700 0.008 0.000 1.036 369 T CA 1.325 63.459 62.100 0.057 0.000 1.148 369 T CB -0.774 68.185 68.868 0.152 0.000 0.856 369 T HN 0.139 nan 8.240 nan 0.000 0.462 370 I N -0.112 120.454 120.570 -0.007 0.000 3.914 370 I HA 0.315 4.485 4.170 -0.000 0.000 0.333 370 I C 1.757 177.815 176.117 -0.098 0.000 1.449 370 I CA -0.213 61.052 61.300 -0.057 0.000 1.135 370 I CB 0.157 38.127 38.000 -0.050 0.000 1.073 370 I HN 0.126 nan 8.210 nan 0.000 0.401 371 A N 0.857 123.639 122.820 -0.063 0.000 1.909 371 A HA 0.003 4.323 4.320 -0.000 0.000 0.210 371 A C 2.190 179.731 177.584 -0.072 0.000 1.273 371 A CA 1.107 53.102 52.037 -0.071 0.000 0.654 371 A CB -0.597 18.382 19.000 -0.036 0.000 0.945 371 A HN 0.199 nan 8.150 nan 0.000 0.471 372 V N -2.443 117.440 119.914 -0.052 0.000 2.667 372 V HA -0.020 4.100 4.120 -0.000 0.000 0.252 372 V C -0.486 175.574 176.094 -0.056 0.000 1.065 372 V CA 1.380 63.649 62.300 -0.051 0.000 1.083 372 V CB -2.006 29.795 31.823 -0.037 0.000 0.692 372 V HN 0.306 nan 8.190 nan 0.000 0.468 373 P HA -0.183 nan 4.420 nan 0.000 0.217 373 P C 2.027 179.295 177.300 -0.053 0.000 1.158 373 P CA 2.129 65.200 63.100 -0.049 0.000 0.887 373 P CB -0.234 31.431 31.700 -0.058 0.000 0.792 374 V N -0.460 119.407 119.914 -0.079 0.000 2.379 374 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 374 V C 2.714 178.767 176.094 -0.068 0.000 1.044 374 V CA 1.537 63.789 62.300 -0.080 0.000 1.036 374 V CB -1.146 30.605 31.823 -0.120 0.000 0.664 374 V HN -0.063 nan 8.190 nan 0.000 0.453 375 V N -0.067 119.803 119.914 -0.074 0.000 2.490 375 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 375 V C 2.280 178.315 176.094 -0.099 0.000 1.061 375 V CA 1.740 63.995 62.300 -0.075 0.000 1.064 375 V CB -0.627 31.155 31.823 -0.068 0.000 0.670 375 V HN 0.434 nan 8.190 nan 0.000 0.461 376 L N -0.632 120.523 121.223 -0.113 0.000 2.027 376 L HA -0.153 4.186 4.340 -0.000 0.000 0.206 376 L C 2.426 179.143 176.870 -0.254 0.000 1.074 376 L CA 1.540 56.258 54.840 -0.203 0.000 0.745 376 L CB -0.590 41.375 42.059 -0.157 0.000 0.898 376 L HN 0.274 nan 8.230 nan 0.000 0.433 377 L N -0.467 120.720 121.223 -0.059 0.000 2.042 377 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 377 L C 2.686 179.584 176.870 0.047 0.000 1.076 377 L CA 1.471 56.371 54.840 0.100 0.000 0.749 377 L CB -1.516 40.598 42.059 0.092 0.000 0.893 377 L HN 0.362 nan 8.230 nan 0.000 0.432 378 G N -0.562 108.221 108.800 -0.028 0.000 2.442 378 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 378 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 378 G C 1.587 176.452 174.900 -0.057 0.000 1.141 378 G CA 1.296 46.373 45.100 -0.038 0.000 0.763 378 G HN 0.303 nan 8.290 nan 0.000 0.554 379 T N 0.666 115.151 114.554 -0.114 0.000 2.867 379 T HA -0.006 4.343 4.350 -0.000 0.000 0.268 379 T C 1.994 176.646 174.700 -0.080 0.000 1.057 379 T CA 0.629 62.653 62.100 -0.127 0.000 1.136 379 T CB -0.300 68.453 68.868 -0.193 0.000 0.874 379 T HN 0.361 nan 8.240 nan 0.000 0.466 380 F N 1.286 121.237 119.950 0.001 0.000 2.186 380 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 380 F C 2.662 178.440 175.800 -0.036 0.000 1.090 380 F CA 0.533 58.532 58.000 -0.002 0.000 1.307 380 F CB -0.177 38.822 39.000 -0.003 0.000 1.019 380 F HN 0.133 nan 8.300 nan 0.000 0.489 381 A N -0.731 122.161 122.820 0.119 0.000 2.067 381 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 381 A C 2.099 179.624 177.584 -0.099 0.000 1.156 381 A CA 1.034 53.076 52.037 0.008 0.000 0.683 381 A CB -0.636 18.359 19.000 -0.008 0.000 0.808 381 A HN 0.202 nan 8.150 nan 0.000 0.455 382 V N -0.413 119.424 119.914 -0.127 0.000 2.575 382 V HA -0.036 4.083 4.120 -0.000 0.000 0.242 382 V C 2.311 178.179 176.094 -0.377 0.000 1.045 382 V CA 1.205 63.325 62.300 -0.300 0.000 1.065 382 V CB -0.345 31.356 31.823 -0.203 0.000 0.717 382 V HN 0.545 nan 8.190 nan 0.000 0.467 383 L N 0.190 121.329 121.223 -0.140 0.000 2.240 383 L HA 0.020 4.359 4.340 -0.000 0.000 0.211 383 L C 2.656 179.476 176.870 -0.083 0.000 1.106 383 L CA 1.131 55.899 54.840 -0.120 0.000 0.793 383 L CB -0.755 41.380 42.059 0.128 0.000 0.927 383 L HN 0.341 nan 8.230 nan 0.000 0.446 384 A N 0.576 123.381 122.820 -0.025 0.000 1.902 384 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 384 A C 2.501 180.039 177.584 -0.075 0.000 1.181 384 A CA 1.663 53.694 52.037 -0.010 0.000 0.623 384 A CB -0.519 18.484 19.000 0.006 0.000 0.818 384 A HN 0.369 nan 8.150 nan 0.000 0.443 385 A N -1.897 120.809 122.820 -0.190 0.000 2.066 385 A HA 0.178 4.498 4.320 -0.000 0.000 0.218 385 A C 1.782 179.246 177.584 -0.201 0.000 1.157 385 A CA 0.867 52.758 52.037 -0.242 0.000 0.670 385 A CB -0.569 18.201 19.000 -0.382 0.000 0.804 385 A HN 0.554 nan 8.150 nan 0.000 0.453 386 F N -1.904 117.927 119.950 -0.198 0.000 2.746 386 F HA 0.312 4.839 4.527 -0.000 0.000 0.297 386 F C 1.945 177.600 175.800 -0.242 0.000 1.113 386 F CA 0.402 58.233 58.000 -0.283 0.000 1.367 386 F CB 0.724 39.409 39.000 -0.525 0.000 1.111 386 F HN 0.414 nan 8.300 nan 0.000 0.590 387 G N 0.184 108.993 108.800 0.016 0.000 2.428 387 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.199 387 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.199 387 G C 0.354 175.412 174.900 0.263 0.000 1.005 387 G CA -0.660 44.515 45.100 0.125 0.000 0.671 387 G HN 0.173 nan 8.290 nan 0.000 0.485 388 F N 2.357 122.367 119.950 0.098 0.000 2.532 388 F HA 0.431 4.958 4.527 -0.000 0.000 0.323 388 F C 1.487 177.328 175.800 0.068 0.000 1.234 388 F CA 0.135 58.180 58.000 0.075 0.000 1.323 388 F CB 0.566 39.620 39.000 0.090 0.000 1.183 388 F HN 0.305 nan 8.300 nan 0.000 0.589 389 S N 0.004 115.862 115.700 0.264 0.000 2.801 389 S HA 0.519 4.989 4.470 -0.000 0.000 0.312 389 S C -0.366 174.323 174.600 0.148 0.000 1.112 389 S CA -0.971 57.320 58.200 0.151 0.000 0.943 389 S CB 1.484 64.734 63.200 0.083 0.000 1.269 389 S HN 0.475 nan 8.310 nan 0.000 0.558 390 I N 2.332 122.954 120.570 0.088 0.000 2.330 390 I HA 0.109 4.279 4.170 -0.000 0.000 0.280 390 I C -0.023 176.095 176.117 0.000 0.000 1.069 390 I CA -0.225 61.122 61.300 0.078 0.000 1.873 390 I CB -1.258 36.754 38.000 0.020 0.000 1.476 390 I HN 0.388 nan 8.210 nan 0.000 0.813 391 N N 1.830 120.522 118.700 -0.012 0.000 2.399 391 N HA 0.075 4.815 4.740 -0.000 0.000 0.250 391 N C 1.413 176.799 175.510 -0.207 0.000 1.272 391 N CA 0.038 53.025 53.050 -0.105 0.000 0.928 391 N CB 0.817 39.248 38.487 -0.094 0.000 1.158 391 N HN 0.207 nan 8.380 nan 0.000 0.463 392 T N 0.943 115.275 114.554 -0.370 0.000 2.721 392 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 392 T C 1.931 176.291 174.700 -0.566 0.000 1.038 392 T CA 1.128 62.892 62.100 -0.560 0.000 1.145 392 T CB -0.118 68.304 68.868 -0.743 0.000 0.858 392 T HN 0.346 nan 8.240 nan 0.000 0.459 393 L N 0.729 121.732 121.223 -0.367 0.000 2.007 393 L HA -0.091 4.248 4.340 -0.000 0.000 0.205 393 L C 2.991 179.768 176.870 -0.156 0.000 1.073 393 L CA 1.764 56.360 54.840 -0.407 0.000 0.744 393 L CB -0.766 41.069 42.059 -0.374 0.000 0.898 393 L HN 0.406 nan 8.230 nan 0.000 0.435 394 T N -3.268 111.274 114.554 -0.020 0.000 3.025 394 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 394 T C 1.645 176.463 174.700 0.197 0.000 1.126 394 T CA 0.733 62.931 62.100 0.164 0.000 1.105 394 T CB -0.051 68.926 68.868 0.181 0.000 0.884 394 T HN 0.070 nan 8.240 nan 0.000 0.522 395 M N 0.133 119.808 119.600 0.125 0.000 2.357 395 M HA 0.389 4.869 4.480 -0.000 0.000 0.266 395 M C 1.838 178.344 176.300 0.343 0.000 1.095 395 M CA 0.169 55.574 55.300 0.176 0.000 1.156 395 M CB -1.097 31.546 32.600 0.072 0.000 1.365 395 M HN 0.360 nan 8.290 nan 0.000 0.447 396 F N -0.357 119.681 119.950 0.146 0.000 2.502 396 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 396 F C 2.193 178.251 175.800 0.430 0.000 1.111 396 F CA 0.342 58.493 58.000 0.251 0.000 1.445 396 F CB -0.337 38.831 39.000 0.280 0.000 1.081 396 F HN 0.264 nan 8.300 nan 0.000 0.558 397 G N 0.050 109.273 108.800 0.704 0.000 2.421 397 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 397 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 397 G C 1.585 176.585 174.900 0.167 0.000 1.143 397 G CA 0.271 45.618 45.100 0.412 0.000 0.784 397 G HN 0.027 nan 8.290 nan 0.000 0.541 398 M N 0.703 120.386 119.600 0.138 0.000 2.086 398 M HA 0.003 4.483 4.480 -0.000 0.000 0.261 398 M C 2.681 179.002 176.300 0.034 0.000 1.067 398 M CA 0.813 56.123 55.300 0.017 0.000 1.116 398 M CB -1.267 31.313 32.600 -0.033 0.000 1.348 398 M HN 0.109 nan 8.290 nan 0.000 0.407 399 V N 0.054 120.018 119.914 0.084 0.000 2.302 399 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 399 V C 2.458 178.553 176.094 0.002 0.000 1.036 399 V CA 1.055 63.367 62.300 0.020 0.000 1.020 399 V CB -0.901 30.919 31.823 -0.006 0.000 0.657 399 V HN 0.318 nan 8.190 nan 0.000 0.453 400 L N 1.138 122.391 121.223 0.050 0.000 2.081 400 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 400 L C 2.326 179.254 176.870 0.096 0.000 1.080 400 L CA 2.464 57.342 54.840 0.064 0.000 0.754 400 L CB -0.892 41.191 42.059 0.040 0.000 0.893 400 L HN 0.257 nan 8.230 nan 0.000 0.433 401 A N -0.920 121.931 122.820 0.052 0.000 2.016 401 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 401 A C 2.223 179.830 177.584 0.038 0.000 1.162 401 A CA 1.147 53.203 52.037 0.031 0.000 0.662 401 A CB -0.730 18.268 19.000 -0.002 0.000 0.812 401 A HN 0.471 nan 8.150 nan 0.000 0.450 402 I N 0.026 120.610 120.570 0.025 0.000 2.290 402 I HA -0.338 3.832 4.170 -0.000 0.000 0.253 402 I C 2.473 178.629 176.117 0.065 0.000 1.112 402 I CA 1.284 62.589 61.300 0.009 0.000 1.377 402 I CB -0.267 37.715 38.000 -0.030 0.000 1.060 402 I HN 0.430 nan 8.210 nan 0.000 0.428 403 G N 0.073 108.989 108.800 0.193 0.000 2.395 403 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.214 403 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.214 403 G C 1.320 176.308 174.900 0.147 0.000 1.177 403 G CA -0.097 45.260 45.100 0.429 0.000 0.794 403 G HN 0.303 nan 8.290 nan 0.000 0.532 404 L N 0.853 122.104 121.223 0.046 0.000 2.855 404 L HA 0.415 4.755 4.340 -0.000 0.000 0.245 404 L C 1.152 177.984 176.870 -0.064 0.000 1.276 404 L CA -0.132 54.662 54.840 -0.077 0.000 1.118 404 L CB -0.060 41.910 42.059 -0.149 0.000 1.444 404 L HN 0.204 nan 8.230 nan 0.000 0.440 405 L N -2.704 118.503 121.223 -0.028 0.000 2.678 405 L HA 0.084 4.424 4.340 -0.000 0.000 0.187 405 L C 1.707 178.561 176.870 -0.026 0.000 1.073 405 L CA 0.174 54.993 54.840 -0.034 0.000 0.883 405 L CB 0.156 42.197 42.059 -0.029 0.000 1.501 405 L HN -0.020 nan 8.230 nan 0.000 0.488 406 V N -1.683 118.226 119.914 -0.008 0.000 3.306 406 V HA -0.088 4.032 4.120 -0.000 0.000 0.264 406 V C 1.820 177.906 176.094 -0.013 0.000 1.149 406 V CA 1.338 63.633 62.300 -0.008 0.000 1.143 406 V CB -0.500 31.323 31.823 -0.000 0.000 0.767 406 V HN 0.393 nan 8.190 nan 0.000 0.476 407 D N 1.303 121.693 120.400 -0.018 0.000 2.097 407 D HA -0.253 4.387 4.640 -0.000 0.000 0.195 407 D C 1.933 178.206 176.300 -0.046 0.000 0.989 407 D CA 1.720 55.694 54.000 -0.043 0.000 0.827 407 D CB -0.245 40.508 40.800 -0.079 0.000 0.966 407 D HN 0.388 nan 8.370 nan 0.000 0.456 408 D N -0.662 119.709 120.400 -0.049 0.000 2.178 408 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 408 D C 1.866 178.153 176.300 -0.022 0.000 0.974 408 D CA 1.089 55.062 54.000 -0.044 0.000 0.841 408 D CB 0.020 40.789 40.800 -0.052 0.000 0.953 408 D HN 0.291 nan 8.370 nan 0.000 0.478 409 A N 0.945 123.755 122.820 -0.017 0.000 1.841 409 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 409 A C 2.419 180.008 177.584 0.008 0.000 1.195 409 A CA 0.922 52.957 52.037 -0.003 0.000 0.611 409 A CB -0.858 18.139 19.000 -0.006 0.000 0.835 409 A HN 0.241 nan 8.150 nan 0.000 0.443 410 I N -0.072 120.499 120.570 0.001 0.000 2.103 410 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 410 I C 2.413 178.549 176.117 0.031 0.000 1.036 410 I CA 2.052 63.358 61.300 0.010 0.000 1.300 410 I CB -0.587 37.406 38.000 -0.012 0.000 1.010 410 I HN 0.228 nan 8.210 nan 0.000 0.406 411 V N 0.238 120.166 119.914 0.022 0.000 2.250 411 V HA -0.342 3.778 4.120 -0.000 0.000 0.253 411 V C 2.310 178.447 176.094 0.073 0.000 1.065 411 V CA 2.288 64.615 62.300 0.045 0.000 1.039 411 V CB -0.950 30.876 31.823 0.005 0.000 0.647 411 V HN 0.311 nan 8.190 nan 0.000 0.446 412 V N -0.630 119.316 119.914 0.052 0.000 2.270 412 V HA -0.186 3.933 4.120 -0.000 0.000 0.245 412 V C 2.419 178.554 176.094 0.068 0.000 1.043 412 V CA 1.860 64.197 62.300 0.062 0.000 1.014 412 V CB -0.389 31.462 31.823 0.046 0.000 0.645 412 V HN 0.406 nan 8.190 nan 0.000 0.447 413 V N 1.252 121.201 119.914 0.060 0.000 2.407 413 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 413 V C 2.435 178.573 176.094 0.073 0.000 1.055 413 V CA 2.345 64.682 62.300 0.063 0.000 1.049 413 V CB -0.628 31.227 31.823 0.054 0.000 0.662 413 V HN 0.863 nan 8.190 nan 0.000 0.455 414 E N -0.286 119.962 120.200 0.079 0.000 2.431 414 E HA -0.060 4.290 4.350 -0.000 0.000 0.200 414 E C 1.711 178.369 176.600 0.096 0.000 0.995 414 E CA 1.115 57.571 56.400 0.092 0.000 0.915 414 E CB -0.843 28.916 29.700 0.099 0.000 0.930 414 E HN 0.632 nan 8.360 nan 0.000 0.496 415 N N 0.277 119.041 118.700 0.107 0.000 2.188 415 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 415 N C 1.304 176.853 175.510 0.066 0.000 1.018 415 N CA 1.474 54.588 53.050 0.107 0.000 0.858 415 N CB 0.197 38.790 38.487 0.177 0.000 0.989 415 N HN 0.109 nan 8.380 nan 0.000 0.426 416 V N 0.795 120.750 119.914 0.068 0.000 2.379 416 V HA -0.105 4.015 4.120 -0.000 0.000 0.245 416 V C 2.118 178.242 176.094 0.050 0.000 1.044 416 V CA 1.269 63.601 62.300 0.053 0.000 1.036 416 V CB -0.698 31.157 31.823 0.053 0.000 0.664 416 V HN 0.230 nan 8.190 nan 0.000 0.453 417 E N 0.769 121.007 120.200 0.063 0.000 2.136 417 E HA -0.287 4.063 4.350 -0.000 0.000 0.208 417 E C 2.306 178.943 176.600 0.061 0.000 1.035 417 E CA 2.294 58.736 56.400 0.070 0.000 0.838 417 E CB -0.445 29.310 29.700 0.092 0.000 0.748 417 E HN 0.726 nan 8.360 nan 0.000 0.459 418 R N 0.083 120.615 120.500 0.054 0.000 2.057 418 R HA -0.055 4.284 4.340 -0.000 0.000 0.229 418 R C 2.229 178.540 176.300 0.018 0.000 1.136 418 R CA 1.599 57.722 56.100 0.038 0.000 0.952 418 R CB -0.773 29.538 30.300 0.017 0.000 0.848 418 R HN 0.056 nan 8.270 nan 0.000 0.430 419 V N 1.968 121.888 119.914 0.011 0.000 2.527 419 V HA -0.237 3.883 4.120 -0.000 0.000 0.255 419 V C 1.896 177.995 176.094 0.008 0.000 1.081 419 V CA 1.918 64.221 62.300 0.005 0.000 1.092 419 V CB -0.421 31.408 31.823 0.011 0.000 0.673 419 V HN 0.437 nan 8.190 nan 0.000 0.470 420 M N -1.040 118.570 119.600 0.016 0.000 3.057 420 M HA 0.417 4.897 4.480 -0.000 0.000 0.246 420 M C 0.699 177.003 176.300 0.006 0.000 1.289 420 M CA 0.665 55.972 55.300 0.012 0.000 1.161 420 M CB 0.168 32.780 32.600 0.019 0.000 1.302 420 M HN 0.354 nan 8.290 nan 0.000 0.483 421 A N -0.949 121.872 122.820 0.001 0.000 1.544 421 A HA 0.057 4.377 4.320 -0.000 0.000 0.206 421 A C 1.436 179.014 177.584 -0.011 0.000 1.895 421 A CA -0.129 51.904 52.037 -0.006 0.000 1.585 421 A CB -0.113 18.895 19.000 0.014 0.000 1.485 421 A HN 0.302 nan 8.150 nan 0.000 0.342 422 E N 0.801 120.999 120.200 -0.003 0.000 2.070 422 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 422 E C 1.233 177.823 176.600 -0.017 0.000 1.004 422 E CA 1.931 58.324 56.400 -0.011 0.000 0.805 422 E CB 0.084 29.774 29.700 -0.017 0.000 0.744 422 E HN 0.593 nan 8.360 nan 0.000 0.451 423 E N -1.828 118.363 120.200 -0.014 0.000 2.526 423 E HA 0.181 4.530 4.350 -0.000 0.000 0.208 423 E C 0.615 177.206 176.600 -0.015 0.000 0.997 423 E CA 0.582 56.973 56.400 -0.015 0.000 0.961 423 E CB 0.936 30.630 29.700 -0.011 0.000 1.030 423 E HN 0.259 nan 8.360 nan 0.000 0.483 424 G N 2.094 110.885 108.800 -0.016 0.000 2.338 424 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.296 424 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.296 424 G C -0.093 174.799 174.900 -0.013 0.000 1.040 424 G CA 0.425 45.514 45.100 -0.018 0.000 1.004 424 G HN 0.204 nan 8.290 nan 0.000 0.509 425 L N -0.914 120.305 121.223 -0.007 0.000 2.457 425 L HA 0.303 4.642 4.340 -0.000 0.000 0.266 425 L C -1.390 175.482 176.870 0.002 0.000 0.979 425 L CA -2.216 52.622 54.840 -0.004 0.000 0.857 425 L CB 2.416 44.473 42.059 -0.003 0.000 1.213 425 L HN -0.080 nan 8.230 nan 0.000 0.418 426 P HA -0.091 nan 4.420 nan 0.000 0.216 426 P C -1.886 175.419 177.300 0.009 0.000 1.153 426 P CA 0.679 63.783 63.100 0.008 0.000 0.858 426 P CB -1.008 30.695 31.700 0.005 0.000 0.789 427 P HA -0.143 nan 4.420 nan 0.000 0.272 427 P C 0.932 178.236 177.300 0.007 0.000 1.225 427 P CA 0.636 63.738 63.100 0.003 0.000 0.800 427 P CB 0.560 32.261 31.700 0.002 0.000 0.894 428 K N 0.636 121.038 120.400 0.004 0.000 2.074 428 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 428 K C 1.882 178.489 176.600 0.012 0.000 1.048 428 K CA 1.955 58.246 56.287 0.007 0.000 0.926 428 K CB -0.176 32.325 32.500 0.001 0.000 0.713 428 K HN 0.462 nan 8.250 nan 0.000 0.444 429 E N 0.339 120.545 120.200 0.010 0.000 2.204 429 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 429 E C 1.739 178.347 176.600 0.013 0.000 0.989 429 E CA 0.915 57.322 56.400 0.011 0.000 0.824 429 E CB -0.046 29.659 29.700 0.008 0.000 0.756 429 E HN 0.316 nan 8.360 nan 0.000 0.477 430 A N 0.629 123.456 122.820 0.013 0.000 1.824 430 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 430 A C 2.338 179.936 177.584 0.022 0.000 1.209 430 A CA 2.195 54.240 52.037 0.015 0.000 0.614 430 A CB -1.349 17.659 19.000 0.013 0.000 0.852 430 A HN 0.290 nan 8.150 nan 0.000 0.447 431 T N -0.511 114.058 114.554 0.026 0.000 2.814 431 T HA -0.303 4.047 4.350 -0.000 0.000 0.264 431 T C 1.856 176.577 174.700 0.036 0.000 1.050 431 T CA 2.098 64.218 62.100 0.034 0.000 1.147 431 T CB -0.345 68.542 68.868 0.033 0.000 0.833 431 T HN 0.587 nan 8.240 nan 0.000 0.498 432 R N 1.067 121.585 120.500 0.030 0.000 2.052 432 R HA 0.081 4.421 4.340 -0.000 0.000 0.224 432 R C 1.816 178.135 176.300 0.033 0.000 1.149 432 R CA 0.953 57.071 56.100 0.030 0.000 0.962 432 R CB 0.043 30.357 30.300 0.024 0.000 0.856 432 R HN 0.178 nan 8.270 nan 0.000 0.433 433 K N 0.336 120.753 120.400 0.029 0.000 2.444 433 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 433 K C 1.627 178.249 176.600 0.037 0.000 1.024 433 K CA 0.665 56.970 56.287 0.030 0.000 1.077 433 K CB 0.608 33.120 32.500 0.021 0.000 0.833 433 K HN 0.256 nan 8.250 nan 0.000 0.517 434 S N 0.742 116.466 115.700 0.041 0.000 2.383 434 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 434 S C 1.717 176.368 174.600 0.086 0.000 1.026 434 S CA 0.881 59.115 58.200 0.056 0.000 0.981 434 S CB -0.191 63.043 63.200 0.056 0.000 0.818 434 S HN 0.177 nan 8.310 nan 0.000 0.472 435 M N 1.590 121.232 119.600 0.070 0.000 2.682 435 M HA 0.201 4.681 4.480 -0.000 0.000 0.235 435 M C 2.012 178.349 176.300 0.063 0.000 1.114 435 M CA 0.727 56.069 55.300 0.070 0.000 1.053 435 M CB -1.389 31.242 32.600 0.052 0.000 1.599 435 M HN 0.555 nan 8.290 nan 0.000 0.520 436 G N 0.829 109.668 108.800 0.064 0.000 2.408 436 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.217 436 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.217 436 G C 1.552 176.504 174.900 0.086 0.000 1.150 436 G CA 0.263 45.398 45.100 0.059 0.000 0.776 436 G HN 0.504 nan 8.290 nan 0.000 0.542 437 Q N -0.533 119.352 119.800 0.141 0.000 2.402 437 Q HA 0.235 4.574 4.340 -0.000 0.000 0.206 437 Q C 2.344 178.493 176.000 0.248 0.000 0.919 437 Q CA 0.210 56.163 55.803 0.250 0.000 0.923 437 Q CB 0.431 29.394 28.738 0.375 0.000 1.048 437 Q HN 0.560 nan 8.270 nan 0.000 0.515 438 I N 0.204 120.879 120.570 0.175 0.000 2.731 438 I HA -0.139 4.031 4.170 -0.000 0.000 0.260 438 I C 2.593 178.726 176.117 0.026 0.000 1.138 438 I CA 0.427 61.785 61.300 0.097 0.000 1.461 438 I CB -0.163 37.906 38.000 0.114 0.000 1.128 438 I HN 0.099 nan 8.210 nan 0.000 0.438 439 Q N 1.955 121.773 119.800 0.030 0.000 2.020 439 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 439 Q C 2.193 178.178 176.000 -0.024 0.000 0.982 439 Q CA 2.373 58.178 55.803 0.004 0.000 0.838 439 Q CB -0.479 28.263 28.738 0.008 0.000 0.899 439 Q HN 0.495 nan 8.270 nan 0.000 0.423 440 G N 0.698 109.479 108.800 -0.032 0.000 2.469 440 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 440 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 440 G C 1.568 176.412 174.900 -0.093 0.000 1.150 440 G CA 1.753 46.802 45.100 -0.084 0.000 0.763 440 G HN 0.560 nan 8.290 nan 0.000 0.561 441 A N 0.868 123.659 122.820 -0.048 0.000 1.849 441 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 441 A C 2.471 180.041 177.584 -0.022 0.000 1.202 441 A CA 1.658 53.676 52.037 -0.030 0.000 0.629 441 A CB -0.706 18.210 19.000 -0.140 0.000 0.834 441 A HN 0.353 nan 8.150 nan 0.000 0.447 442 L N -0.484 120.716 121.223 -0.039 0.000 2.079 442 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 442 L C 2.317 179.169 176.870 -0.031 0.000 1.081 442 L CA 1.245 56.064 54.840 -0.035 0.000 0.752 442 L CB -0.454 41.589 42.059 -0.026 0.000 0.896 442 L HN 0.296 nan 8.230 nan 0.000 0.433 443 V N -0.697 119.197 119.914 -0.034 0.000 3.235 443 V HA 0.025 4.145 4.120 -0.000 0.000 0.259 443 V C 2.333 178.407 176.094 -0.033 0.000 1.133 443 V CA 1.127 63.406 62.300 -0.035 0.000 1.128 443 V CB -0.434 31.364 31.823 -0.041 0.000 0.757 443 V HN 0.483 nan 8.190 nan 0.000 0.469 444 G N 2.005 110.787 108.800 -0.029 0.000 2.616 444 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 444 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 444 G C 1.519 176.491 174.900 0.119 0.000 1.284 444 G CA 1.227 46.361 45.100 0.055 0.000 0.823 444 G HN 0.548 nan 8.290 nan 0.000 0.569 445 I N 0.866 121.492 120.570 0.093 0.000 2.147 445 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 445 I C 2.979 179.072 176.117 -0.040 0.000 1.059 445 I CA 2.035 63.330 61.300 -0.009 0.000 1.320 445 I CB -1.053 36.911 38.000 -0.060 0.000 1.021 445 I HN 0.225 nan 8.210 nan 0.000 0.415 446 A N 1.634 124.432 122.820 -0.038 0.000 1.881 446 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 446 A C 2.428 179.987 177.584 -0.041 0.000 1.215 446 A CA 2.807 54.814 52.037 -0.050 0.000 0.648 446 A CB -0.751 18.227 19.000 -0.037 0.000 0.832 446 A HN 0.530 nan 8.150 nan 0.000 0.455 447 M N -0.378 119.214 119.600 -0.013 0.000 2.082 447 M HA -0.145 4.334 4.480 -0.000 0.000 0.258 447 M C 2.066 178.361 176.300 -0.009 0.000 1.069 447 M CA 1.782 57.082 55.300 -0.001 0.000 1.102 447 M CB -1.367 31.245 32.600 0.020 0.000 1.336 447 M HN 0.351 nan 8.290 nan 0.000 0.404 448 V N -1.060 118.847 119.914 -0.012 0.000 3.461 448 V HA -0.094 4.025 4.120 -0.000 0.000 0.267 448 V C 2.219 178.267 176.094 -0.076 0.000 1.186 448 V CA 0.613 62.892 62.300 -0.036 0.000 1.154 448 V CB -1.008 30.784 31.823 -0.050 0.000 0.802 448 V HN 0.340 nan 8.190 nan 0.000 0.474 449 L N 1.132 122.289 121.223 -0.111 0.000 2.127 449 L HA -0.028 4.312 4.340 -0.000 0.000 0.203 449 L C 2.734 179.501 176.870 -0.171 0.000 1.080 449 L CA 1.455 56.173 54.840 -0.203 0.000 0.768 449 L CB -0.587 41.315 42.059 -0.263 0.000 0.924 449 L HN 0.472 nan 8.230 nan 0.000 0.444 450 S N 0.432 116.077 115.700 -0.093 0.000 2.474 450 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 450 S C 1.893 176.493 174.600 0.001 0.000 0.997 450 S CA 0.761 58.945 58.200 -0.026 0.000 0.949 450 S CB -0.205 62.983 63.200 -0.020 0.000 0.766 450 S HN 0.313 nan 8.310 nan 0.000 0.517 451 A N 0.769 123.584 122.820 -0.009 0.000 2.208 451 A HA 0.400 4.720 4.320 -0.000 0.000 0.209 451 A C 1.970 179.560 177.584 0.010 0.000 1.161 451 A CA 0.762 52.802 52.037 0.005 0.000 0.782 451 A CB -0.389 18.612 19.000 0.002 0.000 0.816 451 A HN 1.177 nan 8.150 nan 0.000 0.477 452 V N -6.518 113.413 119.914 0.027 0.000 3.539 452 V HA 0.347 4.467 4.120 -0.000 0.000 0.262 452 V C 1.703 177.833 176.094 0.061 0.000 1.381 452 V CA 0.198 62.515 62.300 0.028 0.000 1.060 452 V CB -0.726 31.127 31.823 0.050 0.000 0.842 452 V HN 0.138 nan 8.190 nan 0.000 0.445 453 F N 1.872 121.730 119.950 -0.152 0.000 2.164 453 F HA 0.208 4.735 4.527 -0.000 0.000 0.287 453 F C 2.366 178.057 175.800 -0.183 0.000 1.086 453 F CA 1.955 59.858 58.000 -0.161 0.000 1.249 453 F CB -0.353 38.572 39.000 -0.124 0.000 1.059 453 F HN -0.030 nan 8.300 nan 0.000 0.490 454 V N 1.638 121.554 119.914 0.004 0.000 2.407 454 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 454 V C -0.579 175.261 176.094 -0.424 0.000 1.055 454 V CA 1.747 63.928 62.300 -0.199 0.000 1.049 454 V CB -2.198 29.522 31.823 -0.171 0.000 0.662 454 V HN 0.193 nan 8.190 nan 0.000 0.455 455 P HA -0.179 nan 4.420 nan 0.000 0.218 455 P C 1.818 179.085 177.300 -0.056 0.000 1.149 455 P CA 1.501 64.562 63.100 -0.065 0.000 0.817 455 P CB -0.105 31.616 31.700 0.035 0.000 0.785 456 M N -0.539 118.936 119.600 -0.209 0.000 2.506 456 M HA 0.109 4.589 4.480 -0.000 0.000 0.260 456 M C 1.564 177.765 176.300 -0.164 0.000 1.104 456 M CA 0.770 55.900 55.300 -0.282 0.000 1.112 456 M CB -0.675 31.584 32.600 -0.569 0.000 1.401 456 M HN -0.156 nan 8.290 nan 0.000 0.473 457 A N -0.539 122.166 122.820 -0.191 0.000 2.261 457 A HA 0.005 4.325 4.320 -0.000 0.000 0.208 457 A C 0.424 178.059 177.584 0.085 0.000 1.223 457 A CA 0.045 52.033 52.037 -0.082 0.000 0.833 457 A CB -1.031 17.879 19.000 -0.151 0.000 0.830 457 A HN 0.403 nan 8.150 nan 0.000 0.483 458 F N 1.433 121.499 119.950 0.193 0.000 2.913 458 F HA 0.261 4.788 4.527 -0.000 0.000 0.293 458 F C 0.716 176.568 175.800 0.086 0.000 1.223 458 F CA -2.166 55.937 58.000 0.172 0.000 1.393 458 F CB -1.718 37.292 39.000 0.017 0.000 1.102 458 F HN 0.351 nan 8.300 nan 0.000 0.524 459 F N -0.402 119.662 119.950 0.191 0.000 1.831 459 F HA 0.196 4.723 4.527 -0.000 0.000 0.161 459 F C 0.449 176.345 175.800 0.160 0.000 0.490 459 F CA -0.334 57.774 58.000 0.181 0.000 0.682 459 F CB -0.622 38.459 39.000 0.135 0.000 0.770 459 F HN 0.237 nan 8.300 nan 0.000 0.655 460 G N 0.681 109.571 108.800 0.150 0.000 2.761 460 G HA2 0.671 4.631 3.960 -0.000 0.000 0.296 460 G HA3 0.671 4.631 3.960 -0.000 0.000 0.296 460 G C -0.295 174.664 174.900 0.097 0.000 1.416 460 G CA 0.146 45.257 45.100 0.017 0.000 1.105 460 G HN 2.265 nan 8.290 nan 0.000 0.565 461 G N 1.108 109.944 108.800 0.061 0.000 2.550 461 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.277 461 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.277 461 G C 1.490 176.437 174.900 0.079 0.000 1.190 461 G CA 0.820 45.956 45.100 0.060 0.000 0.971 461 G HN 1.731 nan 8.290 nan 0.000 0.559 462 S N 0.060 115.779 115.700 0.032 0.000 2.515 462 S HA 0.118 4.588 4.470 -0.000 0.000 0.231 462 S C 1.837 176.475 174.600 0.063 0.000 0.987 462 S CA 1.779 59.981 58.200 0.002 0.000 0.936 462 S CB -0.317 62.817 63.200 -0.110 0.000 0.766 462 S HN 0.876 nan 8.310 nan 0.000 0.528 463 T N 1.698 116.327 114.554 0.125 0.000 3.406 463 T HA 0.273 4.623 4.350 -0.000 0.000 0.244 463 T C 1.303 176.118 174.700 0.192 0.000 0.949 463 T CA 0.119 62.329 62.100 0.183 0.000 0.926 463 T CB 0.148 69.149 68.868 0.222 0.000 1.089 463 T HN 0.381 nan 8.240 nan 0.000 0.604 464 G N 2.117 111.038 108.800 0.202 0.000 2.632 464 G HA2 0.124 4.084 3.960 -0.000 0.000 0.183 464 G HA3 0.124 4.084 3.960 -0.000 0.000 0.183 464 G C 1.750 176.692 174.900 0.069 0.000 1.592 464 G CA 0.326 45.622 45.100 0.327 0.000 0.880 464 G HN 0.481 nan 8.290 nan 0.000 0.399 465 A N -0.143 122.607 122.820 -0.116 0.000 2.042 465 A HA -0.104 4.216 4.320 -0.000 0.000 0.222 465 A C 2.335 179.777 177.584 -0.236 0.000 1.167 465 A CA 1.916 53.774 52.037 -0.297 0.000 0.649 465 A CB -0.532 18.285 19.000 -0.305 0.000 0.809 465 A HN 0.400 nan 8.150 nan 0.000 0.457 466 I N -1.633 118.838 120.570 -0.165 0.000 2.421 466 I HA -0.382 3.788 4.170 -0.000 0.000 0.218 466 I C 2.318 178.324 176.117 -0.185 0.000 0.949 466 I CA 2.450 63.599 61.300 -0.253 0.000 1.269 466 I CB -0.953 36.871 38.000 -0.293 0.000 0.974 466 I HN 0.484 nan 8.210 nan 0.000 0.373 467 Y N -0.595 119.698 120.300 -0.012 0.000 2.420 467 Y HA -0.105 4.445 4.550 -0.000 0.000 0.292 467 Y C 2.623 178.518 175.900 -0.009 0.000 1.119 467 Y CA 0.635 58.742 58.100 0.013 0.000 1.229 467 Y CB -0.169 38.317 38.460 0.043 0.000 1.026 467 Y HN 0.154 nan 8.280 nan 0.000 0.554 468 R N 1.148 121.701 120.500 0.089 0.000 2.147 468 R HA -0.269 4.071 4.340 -0.000 0.000 0.225 468 R C 1.947 178.207 176.300 -0.067 0.000 1.120 468 R CA 2.496 58.529 56.100 -0.111 0.000 0.891 468 R CB -0.630 29.321 30.300 -0.581 0.000 0.822 468 R HN 0.306 nan 8.270 nan 0.000 0.433 469 Q N -0.318 119.358 119.800 -0.207 0.000 2.217 469 Q HA -0.220 4.120 4.340 -0.000 0.000 0.209 469 Q C 2.100 178.229 176.000 0.213 0.000 0.988 469 Q CA 1.984 57.688 55.803 -0.165 0.000 0.878 469 Q CB -0.331 28.141 28.738 -0.442 0.000 0.909 469 Q HN 0.451 nan 8.270 nan 0.000 0.424 470 F N 0.558 120.464 119.950 -0.073 0.000 2.039 470 F HA -0.405 4.122 4.527 -0.000 0.000 0.296 470 F C 2.864 178.606 175.800 -0.096 0.000 1.119 470 F CA 1.296 59.271 58.000 -0.042 0.000 1.211 470 F CB -0.319 38.686 39.000 0.007 0.000 0.956 470 F HN 0.212 nan 8.300 nan 0.000 0.496 471 S N 0.109 115.725 115.700 -0.140 0.000 2.317 471 S HA -0.188 4.281 4.470 -0.000 0.000 0.212 471 S C 1.932 176.633 174.600 0.169 0.000 1.030 471 S CA 0.901 58.971 58.200 -0.215 0.000 0.970 471 S CB -0.839 62.186 63.200 -0.291 0.000 0.928 471 S HN 0.328 nan 8.310 nan 0.000 0.451 472 I N 2.518 123.175 120.570 0.144 0.000 2.093 472 I HA -0.261 3.909 4.170 -0.000 0.000 0.239 472 I C 2.203 178.463 176.117 0.238 0.000 1.026 472 I CA 2.813 64.231 61.300 0.196 0.000 1.295 472 I CB -1.534 36.611 38.000 0.241 0.000 1.007 472 I HN 0.447 nan 8.210 nan 0.000 0.401 473 T N 1.195 115.927 114.554 0.297 0.000 2.653 473 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 473 T C 1.877 176.668 174.700 0.152 0.000 1.037 473 T CA 2.788 65.039 62.100 0.253 0.000 1.159 473 T CB -0.580 68.466 68.868 0.297 0.000 0.859 473 T HN 0.508 nan 8.240 nan 0.000 0.449 474 I N -0.115 120.553 120.570 0.164 0.000 2.584 474 I HA -0.022 4.148 4.170 -0.000 0.000 0.255 474 I C 2.388 178.547 176.117 0.070 0.000 1.145 474 I CA 0.320 61.691 61.300 0.120 0.000 1.462 474 I CB -0.190 37.948 38.000 0.229 0.000 1.102 474 I HN 0.060 nan 8.210 nan 0.000 0.433 475 V N 0.542 120.551 119.914 0.159 0.000 2.343 475 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 475 V C 2.758 178.880 176.094 0.046 0.000 1.051 475 V CA 2.328 64.676 62.300 0.081 0.000 1.036 475 V CB -0.424 31.482 31.823 0.139 0.000 0.654 475 V HN 0.598 nan 8.190 nan 0.000 0.451 476 S N 0.819 116.569 115.700 0.084 0.000 2.365 476 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 476 S C 2.049 176.655 174.600 0.010 0.000 1.039 476 S CA 1.942 60.180 58.200 0.064 0.000 1.033 476 S CB -0.495 62.758 63.200 0.088 0.000 0.887 476 S HN 0.625 nan 8.310 nan 0.000 0.447 477 A N 1.756 124.575 122.820 -0.001 0.000 2.121 477 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 477 A C 2.274 179.825 177.584 -0.056 0.000 1.154 477 A CA 1.491 53.505 52.037 -0.038 0.000 0.679 477 A CB -0.793 18.183 19.000 -0.040 0.000 0.795 477 A HN 0.876 nan 8.150 nan 0.000 0.458 478 M N -0.878 118.684 119.600 -0.063 0.000 2.160 478 M HA 0.079 4.559 4.480 -0.000 0.000 0.264 478 M C 2.116 178.381 176.300 -0.060 0.000 1.073 478 M CA 1.717 56.963 55.300 -0.089 0.000 1.142 478 M CB -0.263 32.260 32.600 -0.128 0.000 1.358 478 M HN 0.227 nan 8.290 nan 0.000 0.422 479 A N 0.980 123.778 122.820 -0.036 0.000 1.929 479 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 479 A C 2.027 179.596 177.584 -0.026 0.000 1.176 479 A CA 1.234 53.258 52.037 -0.023 0.000 0.628 479 A CB -0.915 18.084 19.000 -0.003 0.000 0.816 479 A HN 0.613 nan 8.150 nan 0.000 0.444 480 L N 0.389 121.593 121.223 -0.031 0.000 2.156 480 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 480 L C 2.815 179.660 176.870 -0.043 0.000 1.095 480 L CA 1.390 56.207 54.840 -0.038 0.000 0.770 480 L CB -0.265 41.766 42.059 -0.047 0.000 0.914 480 L HN 0.551 nan 8.230 nan 0.000 0.439 481 S N -1.587 114.085 115.700 -0.048 0.000 2.470 481 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 481 S C 1.826 176.401 174.600 -0.041 0.000 1.006 481 S CA 0.482 58.653 58.200 -0.049 0.000 0.934 481 S CB -0.292 62.873 63.200 -0.058 0.000 0.778 481 S HN 0.126 nan 8.310 nan 0.000 0.517 482 V N 1.936 121.827 119.914 -0.039 0.000 2.273 482 V HA 0.028 4.148 4.120 -0.000 0.000 0.242 482 V C 2.507 178.589 176.094 -0.020 0.000 1.035 482 V CA 1.467 63.748 62.300 -0.032 0.000 1.013 482 V CB -0.745 31.058 31.823 -0.033 0.000 0.652 482 V HN 0.418 nan 8.190 nan 0.000 0.452 483 L N -0.328 120.885 121.223 -0.018 0.000 2.081 483 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 483 L C 2.428 179.294 176.870 -0.007 0.000 1.080 483 L CA 1.243 56.078 54.840 -0.009 0.000 0.754 483 L CB -0.649 41.403 42.059 -0.011 0.000 0.893 483 L HN 0.192 nan 8.230 nan 0.000 0.433 484 V N -0.264 119.638 119.914 -0.019 0.000 2.358 484 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 484 V C 2.467 178.557 176.094 -0.007 0.000 1.047 484 V CA 1.688 63.975 62.300 -0.021 0.000 1.035 484 V CB -0.628 31.170 31.823 -0.042 0.000 0.658 484 V HN 0.484 nan 8.190 nan 0.000 0.452 485 A N -1.129 121.686 122.820 -0.009 0.000 2.239 485 A HA 0.107 4.427 4.320 -0.000 0.000 0.209 485 A C 1.878 179.469 177.584 0.011 0.000 1.171 485 A CA 0.913 52.950 52.037 0.000 0.000 0.768 485 A CB -0.273 18.721 19.000 -0.011 0.000 0.790 485 A HN 0.552 nan 8.150 nan 0.000 0.478 486 L N -2.095 119.136 121.223 0.012 0.000 2.781 486 L HA 0.320 4.660 4.340 -0.000 0.000 0.245 486 L C 1.477 178.368 176.870 0.035 0.000 1.118 486 L CA 0.250 55.102 54.840 0.020 0.000 0.918 486 L CB 0.203 42.269 42.059 0.012 0.000 1.246 486 L HN 0.342 nan 8.230 nan 0.000 0.526 487 I N -1.798 118.796 120.570 0.039 0.000 3.669 487 I HA -0.011 4.159 4.170 -0.000 0.000 0.255 487 I C 1.677 177.843 176.117 0.082 0.000 1.144 487 I CA 0.068 61.404 61.300 0.061 0.000 1.447 487 I CB 0.109 38.142 38.000 0.055 0.000 1.622 487 I HN -0.027 nan 8.210 nan 0.000 0.435 488 L N 0.934 122.191 121.223 0.057 0.000 2.022 488 L HA -0.011 4.329 4.340 -0.000 0.000 0.204 488 L C 2.347 179.273 176.870 0.093 0.000 1.076 488 L CA 2.384 57.263 54.840 0.065 0.000 0.749 488 L CB -1.064 40.964 42.059 -0.052 0.000 0.903 488 L HN 0.183 nan 8.230 nan 0.000 0.439 489 T N 0.874 115.457 114.554 0.049 0.000 2.665 489 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 489 T C -0.513 174.234 174.700 0.078 0.000 1.035 489 T CA 2.092 64.227 62.100 0.058 0.000 1.151 489 T CB -1.369 67.517 68.868 0.030 0.000 0.862 489 T HN 0.329 nan 8.240 nan 0.000 0.438 490 P HA -0.129 nan 4.420 nan 0.000 0.210 490 P C 1.699 179.051 177.300 0.088 0.000 1.185 490 P CA 1.648 64.791 63.100 0.071 0.000 0.924 490 P CB -0.398 31.338 31.700 0.061 0.000 0.786 491 A N -0.395 122.490 122.820 0.108 0.000 1.882 491 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 491 A C 2.346 180.005 177.584 0.125 0.000 1.253 491 A CA 2.393 54.500 52.037 0.117 0.000 0.664 491 A CB -1.849 17.261 19.000 0.184 0.000 0.838 491 A HN 0.180 nan 8.150 nan 0.000 0.460 492 L N -0.894 120.477 121.223 0.247 0.000 1.990 492 L HA -0.293 4.047 4.340 -0.000 0.000 0.213 492 L C 2.808 179.759 176.870 0.134 0.000 1.072 492 L CA 2.223 57.224 54.840 0.267 0.000 0.755 492 L CB -0.516 41.791 42.059 0.413 0.000 0.889 492 L HN 0.708 nan 8.230 nan 0.000 0.432 493 C N -0.487 118.882 119.300 0.114 0.000 2.401 493 C HA -0.220 4.239 4.460 -0.000 0.000 0.276 493 C C 2.949 177.973 174.990 0.057 0.000 1.233 493 C CA 0.976 60.042 59.018 0.080 0.000 1.753 493 C CB -1.016 26.768 27.740 0.073 0.000 2.029 493 C HN 0.684 nan 8.230 nan 0.000 0.478 494 A N -0.474 122.374 122.820 0.047 0.000 1.821 494 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 494 A C 2.221 179.808 177.584 0.005 0.000 1.214 494 A CA 2.542 54.594 52.037 0.025 0.000 0.608 494 A CB -1.708 17.304 19.000 0.019 0.000 0.862 494 A HN 0.557 nan 8.150 nan 0.000 0.448 495 T N -1.260 113.283 114.554 -0.017 0.000 2.634 495 T HA -0.234 4.116 4.350 -0.000 0.000 0.256 495 T C 0.789 175.466 174.700 -0.039 0.000 1.131 495 T CA 2.106 64.170 62.100 -0.060 0.000 1.149 495 T CB -0.275 68.523 68.868 -0.117 0.000 0.849 495 T HN 0.443 nan 8.240 nan 0.000 0.457 496 M N -0.082 119.516 119.600 -0.004 0.000 2.295 496 M HA 0.350 4.830 4.480 -0.000 0.000 0.219 496 M C -0.982 175.347 176.300 0.049 0.000 0.981 496 M CA -0.300 55.009 55.300 0.015 0.000 1.019 496 M CB 1.586 34.188 32.600 0.004 0.000 2.528 496 M HN 0.210 nan 8.290 nan 0.000 0.445 497 L N 4.099 125.351 121.223 0.048 0.000 2.614 497 L HA 0.495 4.835 4.340 -0.000 0.000 0.185 497 L C 0.325 177.233 176.870 0.065 0.000 1.098 497 L CA 1.320 56.197 54.840 0.061 0.000 0.852 497 L CB 0.076 42.168 42.059 0.056 0.000 1.213 497 L HN 0.658 nan 8.230 nan 0.000 0.491 514 G N -0.364 108.398 108.800 -0.062 0.000 2.679 514 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 514 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 514 G C 0.459 175.465 174.900 0.176 0.000 1.137 514 G CA 0.326 45.458 45.100 0.052 0.000 0.787 514 G HN 0.488 nan 8.290 nan 0.000 0.534 515 W N 0.516 121.890 121.300 0.124 0.000 2.409 515 W HA 0.192 4.852 4.660 -0.000 0.000 0.299 515 W C 1.973 178.406 176.519 -0.143 0.000 1.203 515 W CA -0.201 57.098 57.345 -0.078 0.000 1.298 515 W CB -1.441 27.884 29.460 -0.226 0.000 1.127 515 W HN 0.212 nan 8.180 nan 0.000 0.528 516 F N 1.627 121.719 119.950 0.237 0.000 2.134 516 F HA -0.228 4.298 4.527 -0.000 0.000 0.299 516 F C 2.167 178.116 175.800 0.249 0.000 1.097 516 F CA 1.426 59.544 58.000 0.196 0.000 1.264 516 F CB -1.283 37.841 39.000 0.206 0.000 1.001 516 F HN -0.152 nan 8.300 nan 0.000 0.479 517 N N 0.367 119.274 118.700 0.346 0.000 2.149 517 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 517 N C 1.818 177.441 175.510 0.189 0.000 1.019 517 N CA 1.218 54.406 53.050 0.229 0.000 0.857 517 N CB -0.284 38.296 38.487 0.154 0.000 0.997 517 N HN 0.308 nan 8.380 nan 0.000 0.426 518 R N -0.325 120.271 120.500 0.160 0.000 2.051 518 R HA 0.069 4.409 4.340 -0.000 0.000 0.225 518 R C 2.062 178.389 176.300 0.045 0.000 1.155 518 R CA 0.683 56.848 56.100 0.109 0.000 0.945 518 R CB -0.487 29.872 30.300 0.097 0.000 0.840 518 R HN 0.064 nan 8.270 nan 0.000 0.432 519 M N 0.719 120.289 119.600 -0.050 0.000 2.405 519 M HA -0.260 4.220 4.480 -0.000 0.000 0.256 519 M C 1.801 177.971 176.300 -0.217 0.000 1.067 519 M CA 1.923 57.081 55.300 -0.236 0.000 1.073 519 M CB -0.770 31.555 32.600 -0.459 0.000 1.273 519 M HN 0.145 nan 8.290 nan 0.000 0.443 520 F N -0.278 119.650 119.950 -0.038 0.000 2.325 520 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 520 F C 2.380 178.103 175.800 -0.129 0.000 1.090 520 F CA 1.305 59.267 58.000 -0.063 0.000 1.392 520 F CB -0.385 38.592 39.000 -0.038 0.000 1.053 520 F HN 0.391 nan 8.300 nan 0.000 0.521 521 E N 0.897 121.140 120.200 0.072 0.000 1.987 521 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 521 E C 2.070 178.703 176.600 0.056 0.000 0.990 521 E CA 1.167 57.542 56.400 -0.041 0.000 0.859 521 E CB -0.008 29.787 29.700 0.157 0.000 0.805 521 E HN -0.049 nan 8.360 nan 0.000 0.499 522 K N 0.677 121.211 120.400 0.223 0.000 2.067 522 K HA -0.298 4.022 4.320 -0.000 0.000 0.226 522 K C 2.272 178.964 176.600 0.152 0.000 1.046 522 K CA 2.137 58.569 56.287 0.242 0.000 0.967 522 K CB -1.257 31.290 32.500 0.078 0.000 0.749 522 K HN 0.153 nan 8.250 nan 0.000 0.456 523 S N -0.859 114.850 115.700 0.016 0.000 2.365 523 S HA -0.197 4.273 4.470 -0.000 0.000 0.221 523 S C 1.977 176.636 174.600 0.098 0.000 1.037 523 S CA 2.329 60.522 58.200 -0.010 0.000 1.060 523 S CB -0.661 62.464 63.200 -0.124 0.000 0.974 523 S HN 0.492 nan 8.310 nan 0.000 0.427 524 T N 1.113 115.689 114.554 0.037 0.000 2.821 524 T HA 0.033 4.383 4.350 -0.000 0.000 0.267 524 T C 0.939 175.687 174.700 0.080 0.000 1.046 524 T CA 1.184 63.301 62.100 0.028 0.000 1.139 524 T CB -0.357 68.478 68.868 -0.055 0.000 0.871 524 T HN 0.600 nan 8.240 nan 0.000 0.454 525 H N -0.801 118.284 119.070 0.026 0.000 2.560 525 H HA 0.220 4.776 4.556 -0.000 0.000 0.266 525 H C 1.465 176.779 175.328 -0.024 0.000 1.585 525 H CA -0.873 55.113 56.048 -0.105 0.000 1.570 525 H CB 0.367 29.941 29.762 -0.313 0.000 1.687 525 H HN 0.135 nan 8.280 nan 0.000 0.837 526 H N -1.018 118.178 119.070 0.210 0.000 1.453 526 H HA -0.405 4.151 4.556 -0.000 0.000 0.090 526 H C 1.954 177.355 175.328 0.122 0.000 1.149 526 H CA 2.501 58.639 56.048 0.150 0.000 1.901 526 H CB -1.628 28.227 29.762 0.155 0.000 2.257 526 H HN 0.682 nan 8.280 nan 0.000 0.961 527 Y N 1.818 122.163 120.300 0.075 0.000 2.062 527 Y HA -0.193 4.357 4.550 -0.000 0.000 0.272 527 Y C 2.935 178.810 175.900 -0.042 0.000 1.117 527 Y CA 2.778 60.768 58.100 -0.183 0.000 1.095 527 Y CB -0.676 37.597 38.460 -0.311 0.000 0.985 527 Y HN 0.347 nan 8.280 nan 0.000 0.479 528 T N 0.361 114.946 114.554 0.052 0.000 2.929 528 T HA -0.130 4.220 4.350 -0.000 0.000 0.271 528 T C 1.119 175.771 174.700 -0.080 0.000 1.085 528 T CA 1.363 63.432 62.100 -0.051 0.000 1.125 528 T CB -0.318 68.610 68.868 0.100 0.000 0.874 528 T HN 0.375 nan 8.240 nan 0.000 0.494 529 D N 1.465 121.852 120.400 -0.021 0.000 2.103 529 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 529 D C 2.542 178.815 176.300 -0.045 0.000 0.978 529 D CA 1.498 55.482 54.000 -0.027 0.000 0.829 529 D CB -0.456 40.339 40.800 -0.009 0.000 0.981 529 D HN 0.506 nan 8.370 nan 0.000 0.464 530 S N 0.106 115.801 115.700 -0.008 0.000 2.406 530 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 530 S C 2.239 176.793 174.600 -0.077 0.000 1.020 530 S CA 0.492 58.697 58.200 0.008 0.000 0.965 530 S CB -0.665 62.619 63.200 0.139 0.000 0.798 530 S HN 0.054 nan 8.310 nan 0.000 0.488 531 V N 2.667 122.489 119.914 -0.153 0.000 2.278 531 V HA -0.200 3.920 4.120 -0.000 0.000 0.251 531 V C 2.878 178.798 176.094 -0.290 0.000 1.062 531 V CA 2.133 64.259 62.300 -0.290 0.000 1.038 531 V CB -1.672 29.862 31.823 -0.482 0.000 0.646 531 V HN 0.680 nan 8.190 nan 0.000 0.447 532 G N -0.606 108.062 108.800 -0.220 0.000 2.422 532 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 532 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 532 G C 1.562 176.365 174.900 -0.161 0.000 1.146 532 G CA 0.898 45.885 45.100 -0.188 0.000 0.769 532 G HN 0.619 nan 8.290 nan 0.000 0.547 533 G N 1.314 110.042 108.800 -0.121 0.000 2.421 533 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 533 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 533 G C 1.791 176.641 174.900 -0.082 0.000 1.143 533 G CA 0.853 45.908 45.100 -0.074 0.000 0.784 533 G HN 0.636 nan 8.290 nan 0.000 0.541 534 I N -2.145 118.316 120.570 -0.181 0.000 2.761 534 I HA 0.184 4.354 4.170 -0.000 0.000 0.261 534 I C 2.225 178.074 176.117 -0.447 0.000 1.198 534 I CA 0.735 61.851 61.300 -0.306 0.000 1.482 534 I CB -0.138 37.613 38.000 -0.414 0.000 1.100 534 I HN 0.051 nan 8.210 nan 0.000 0.445 535 L N 0.921 121.882 121.223 -0.436 0.000 2.270 535 L HA 0.059 4.398 4.340 -0.000 0.000 0.210 535 L C 2.901 179.593 176.870 -0.297 0.000 1.104 535 L CA 0.647 55.183 54.840 -0.506 0.000 0.804 535 L CB -0.323 41.480 42.059 -0.426 0.000 0.937 535 L HN 0.156 nan 8.230 nan 0.000 0.450 536 R N -0.016 120.377 120.500 -0.179 0.000 2.080 536 R HA -0.090 4.250 4.340 -0.000 0.000 0.236 536 R C 1.227 177.503 176.300 -0.041 0.000 1.137 536 R CA 1.322 57.366 56.100 -0.092 0.000 0.943 536 R CB -0.918 29.352 30.300 -0.050 0.000 0.846 536 R HN 0.358 nan 8.270 nan 0.000 0.431 537 S N -0.565 115.148 115.700 0.021 0.000 2.624 537 S HA 0.275 4.745 4.470 -0.000 0.000 0.263 537 S C 0.550 175.250 174.600 0.167 0.000 1.287 537 S CA -0.340 57.953 58.200 0.155 0.000 0.990 537 S CB 1.949 65.362 63.200 0.356 0.000 0.950 537 S HN 0.195 nan 8.310 nan 0.000 0.561 538 T N -0.606 114.139 114.554 0.318 0.000 3.853 538 T HA 0.208 4.558 4.350 -0.000 0.000 0.296 538 T C 1.664 176.590 174.700 0.376 0.000 0.928 538 T CA 0.107 62.436 62.100 0.382 0.000 1.190 538 T CB -1.155 67.805 68.868 0.152 0.000 1.066 538 T HN 0.687 nan 8.240 nan 0.000 0.458 539 G N 1.332 110.268 108.800 0.227 0.000 2.471 539 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 539 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 539 G C 1.383 176.369 174.900 0.143 0.000 1.125 539 G CA 1.170 46.366 45.100 0.161 0.000 0.775 539 G HN 0.448 nan 8.290 nan 0.000 0.548 540 R N -0.840 119.761 120.500 0.168 0.000 2.057 540 R HA -0.024 4.315 4.340 -0.000 0.000 0.229 540 R C 2.031 178.331 176.300 -0.001 0.000 1.136 540 R CA 1.032 57.163 56.100 0.052 0.000 0.952 540 R CB -0.429 29.866 30.300 -0.008 0.000 0.848 540 R HN 0.375 nan 8.270 nan 0.000 0.430 541 Y N 0.561 120.883 120.300 0.036 0.000 2.439 541 Y HA -0.097 4.453 4.550 -0.000 0.000 0.292 541 Y C 1.933 177.767 175.900 -0.110 0.000 1.130 541 Y CA 0.667 58.697 58.100 -0.117 0.000 1.254 541 Y CB -0.157 38.026 38.460 -0.462 0.000 1.000 541 Y HN 0.156 nan 8.280 nan 0.000 0.554 542 L N -0.721 120.582 121.223 0.134 0.000 2.027 542 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 542 L C 2.018 178.972 176.870 0.140 0.000 1.074 542 L CA 1.519 56.431 54.840 0.120 0.000 0.745 542 L CB -0.629 41.507 42.059 0.127 0.000 0.898 542 L HN -0.001 nan 8.230 nan 0.000 0.433 543 V N -0.450 119.518 119.914 0.090 0.000 2.970 543 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 543 V C 2.317 178.432 176.094 0.035 0.000 1.100 543 V CA 1.295 63.631 62.300 0.060 0.000 1.122 543 V CB -0.372 31.470 31.823 0.032 0.000 0.721 543 V HN 0.443 nan 8.190 nan 0.000 0.483 544 L N -0.701 120.536 121.223 0.024 0.000 2.131 544 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 544 L C 2.274 179.165 176.870 0.034 0.000 1.087 544 L CA 1.718 56.556 54.840 -0.005 0.000 0.767 544 L CB -0.545 41.484 42.059 -0.051 0.000 0.917 544 L HN 0.448 nan 8.230 nan 0.000 0.441 545 Y N -0.644 119.633 120.300 -0.039 0.000 2.352 545 Y HA -0.173 4.377 4.550 -0.000 0.000 0.292 545 Y C 1.916 177.807 175.900 -0.015 0.000 1.136 545 Y CA 1.504 59.587 58.100 -0.029 0.000 1.227 545 Y CB -0.068 38.374 38.460 -0.029 0.000 0.991 545 Y HN 0.151 nan 8.280 nan 0.000 0.545 546 L N -0.618 120.646 121.223 0.068 0.000 2.023 546 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 546 L C 2.387 179.210 176.870 -0.079 0.000 1.073 546 L CA 1.231 56.066 54.840 -0.008 0.000 0.745 546 L CB -0.680 41.415 42.059 0.060 0.000 0.900 546 L HN 0.174 nan 8.230 nan 0.000 0.435 547 I N 0.278 120.818 120.570 -0.049 0.000 2.236 547 I HA -0.373 3.797 4.170 -0.000 0.000 0.249 547 I C 2.492 178.555 176.117 -0.091 0.000 1.102 547 I CA 1.649 62.913 61.300 -0.060 0.000 1.365 547 I CB -0.151 37.821 38.000 -0.047 0.000 1.051 547 I HN 0.213 nan 8.210 nan 0.000 0.420 548 I N -0.295 120.192 120.570 -0.139 0.000 2.142 548 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 548 I C 2.305 178.316 176.117 -0.176 0.000 1.078 548 I CA 1.363 62.563 61.300 -0.166 0.000 1.343 548 I CB -0.261 37.600 38.000 -0.232 0.000 1.046 548 I HN 0.005 nan 8.210 nan 0.000 0.405 549 V N 0.239 120.000 119.914 -0.256 0.000 2.970 549 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 549 V C 2.255 178.290 176.094 -0.098 0.000 1.100 549 V CA 0.872 63.049 62.300 -0.205 0.000 1.122 549 V CB -0.091 31.573 31.823 -0.265 0.000 0.721 549 V HN 0.241 nan 8.190 nan 0.000 0.483 550 V N 1.051 120.920 119.914 -0.074 0.000 2.307 550 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 550 V C 2.600 178.702 176.094 0.013 0.000 1.045 550 V CA 2.194 64.478 62.300 -0.028 0.000 1.024 550 V CB -1.353 30.449 31.823 -0.034 0.000 0.651 550 V HN 0.567 nan 8.190 nan 0.000 0.449 551 G N -0.922 107.882 108.800 0.006 0.000 2.484 551 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.215 551 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.215 551 G C 1.606 176.568 174.900 0.102 0.000 1.219 551 G CA 1.091 46.229 45.100 0.064 0.000 0.791 551 G HN 0.268 nan 8.290 nan 0.000 0.550 552 M N 0.915 120.535 119.600 0.033 0.000 2.240 552 M HA -0.342 4.138 4.480 -0.000 0.000 0.250 552 M C 2.744 179.084 176.300 0.067 0.000 1.075 552 M CA 2.402 57.715 55.300 0.023 0.000 1.072 552 M CB -0.586 31.977 32.600 -0.061 0.000 1.305 552 M HN 0.347 nan 8.290 nan 0.000 0.414 553 A N -1.105 121.752 122.820 0.061 0.000 1.845 553 A HA -0.268 4.052 4.320 -0.000 0.000 0.215 553 A C 1.893 179.609 177.584 0.220 0.000 1.195 553 A CA 1.857 53.962 52.037 0.115 0.000 0.616 553 A CB -1.495 17.553 19.000 0.081 0.000 0.832 553 A HN 0.705 nan 8.150 nan 0.000 0.443 554 Y N 0.104 120.451 120.300 0.078 0.000 2.384 554 Y HA -0.070 4.479 4.550 -0.000 0.000 0.289 554 Y C 1.690 177.642 175.900 0.086 0.000 1.152 554 Y CA 1.168 59.311 58.100 0.070 0.000 1.258 554 Y CB -0.053 38.429 38.460 0.036 0.000 0.979 554 Y HN 0.201 nan 8.280 nan 0.000 0.549 555 L N -0.381 120.909 121.223 0.112 0.000 2.650 555 L HA -0.084 4.256 4.340 -0.000 0.000 0.235 555 L C 1.056 177.994 176.870 0.113 0.000 1.149 555 L CA 1.035 55.913 54.840 0.063 0.000 0.887 555 L CB -0.543 41.592 42.059 0.126 0.000 1.021 555 L HN 0.454 nan 8.230 nan 0.000 0.441 556 F N -1.963 117.947 119.950 -0.067 0.000 2.411 556 F HA 0.053 4.580 4.527 -0.000 0.000 0.286 556 F C 1.748 177.518 175.800 -0.051 0.000 0.858 556 F CA 0.299 58.286 58.000 -0.021 0.000 1.080 556 F CB 0.068 39.062 39.000 -0.010 0.000 0.961 556 F HN -0.257 nan 8.300 nan 0.000 0.742 557 V N 1.230 121.090 119.914 -0.091 0.000 2.427 557 V HA -0.148 3.971 4.120 -0.000 0.000 0.248 557 V C 2.300 178.253 176.094 -0.235 0.000 1.051 557 V CA 2.014 64.201 62.300 -0.188 0.000 1.048 557 V CB -0.766 31.059 31.823 0.004 0.000 0.666 557 V HN 0.176 nan 8.190 nan 0.000 0.456 558 R N -0.379 119.951 120.500 -0.283 0.000 2.200 558 R HA 0.193 4.533 4.340 -0.000 0.000 0.208 558 R C 0.827 176.991 176.300 -0.227 0.000 1.033 558 R CA 0.245 56.163 56.100 -0.303 0.000 1.000 558 R CB -0.551 29.412 30.300 -0.561 0.000 0.906 558 R HN 0.486 nan 8.270 nan 0.000 0.462 559 L N 3.325 124.420 121.223 -0.213 0.000 2.477 559 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 559 L C -1.975 174.805 176.870 -0.151 0.000 1.157 559 L CA -1.628 53.123 54.840 -0.148 0.000 0.889 559 L CB 0.554 42.562 42.059 -0.085 0.000 1.158 559 L HN 0.070 nan 8.230 nan 0.000 0.473 560 P HA 0.043 nan 4.420 nan 0.000 0.272 560 P C -1.167 176.099 177.300 -0.057 0.000 1.223 560 P CA -0.416 62.634 63.100 -0.083 0.000 0.784 560 P CB 1.317 32.982 31.700 -0.058 0.000 0.923 561 S N 1.117 116.791 115.700 -0.044 0.000 2.438 561 S HA 0.467 4.937 4.470 -0.000 0.000 0.316 561 S C -0.098 174.522 174.600 0.034 0.000 1.084 561 S CA -0.362 57.837 58.200 -0.002 0.000 1.107 561 S CB -0.146 63.045 63.200 -0.016 0.000 0.981 561 S HN 0.406 nan 8.310 nan 0.000 0.466 562 S N 3.516 119.253 115.700 0.061 0.000 2.768 562 S HA 0.594 5.063 4.470 -0.000 0.000 0.300 562 S C 0.048 174.734 174.600 0.143 0.000 1.122 562 S CA -0.607 57.645 58.200 0.087 0.000 0.995 562 S CB 0.857 64.097 63.200 0.067 0.000 1.195 562 S HN 0.772 nan 8.310 nan 0.000 0.547 563 F N 0.001 119.939 119.950 -0.019 0.000 2.387 563 F HA 0.603 5.129 4.527 -0.000 0.000 0.278 563 F C -0.290 175.454 175.800 -0.092 0.000 1.010 563 F CA 0.254 58.220 58.000 -0.056 0.000 1.236 563 F CB 0.201 39.155 39.000 -0.077 0.000 1.137 563 F HN 0.361 nan 8.300 nan 0.000 0.604 564 L N 1.588 122.787 121.223 -0.039 0.000 2.513 564 L HA 0.470 4.810 4.340 -0.000 0.000 0.261 564 L C -2.715 174.189 176.870 0.057 0.000 0.945 564 L CA -1.947 52.809 54.840 -0.140 0.000 0.848 564 L CB 1.648 43.573 42.059 -0.225 0.000 1.334 564 L HN -0.072 nan 8.230 nan 0.000 0.407 565 P HA 0.190 nan 4.420 nan 0.000 0.276 565 P C -1.249 176.137 177.300 0.144 0.000 1.235 565 P CA -0.198 62.988 63.100 0.144 0.000 0.772 565 P CB 0.686 32.502 31.700 0.193 0.000 0.871 566 D N 3.259 123.721 120.400 0.103 0.000 2.348 566 D HA 0.111 4.751 4.640 -0.000 0.000 0.253 566 D C 0.649 177.009 176.300 0.099 0.000 1.161 566 D CA 0.374 54.429 54.000 0.093 0.000 0.876 566 D CB 1.346 42.184 40.800 0.063 0.000 1.160 566 D HN 0.529 nan 8.370 nan 0.000 0.459 567 E N 0.851 121.121 120.200 0.116 0.000 2.392 567 E HA 0.258 4.608 4.350 -0.000 0.000 0.269 567 E C -0.754 175.909 176.600 0.104 0.000 0.924 567 E CA -0.960 55.518 56.400 0.129 0.000 0.784 567 E CB 1.673 31.491 29.700 0.196 0.000 1.292 567 E HN 0.054 nan 8.360 nan 0.000 0.447 568 D N 0.667 121.157 120.400 0.151 0.000 2.533 568 D HA -0.076 4.564 4.640 -0.000 0.000 0.236 568 D C -0.156 176.299 176.300 0.259 0.000 1.137 568 D CA 0.831 54.957 54.000 0.210 0.000 0.867 568 D CB 0.963 41.976 40.800 0.356 0.000 1.170 568 D HN 0.489 nan 8.370 nan 0.000 0.474 569 Q N 1.516 121.332 119.800 0.026 0.000 2.149 569 Q HA 0.215 4.555 4.340 -0.000 0.000 0.221 569 Q C 1.059 176.894 176.000 -0.274 0.000 0.807 569 Q CA 0.202 55.863 55.803 -0.238 0.000 1.000 569 Q CB 0.874 29.356 28.738 -0.427 0.000 1.157 569 Q HN 0.788 nan 8.270 nan 0.000 0.487 570 G N 0.870 109.375 108.800 -0.492 0.000 2.168 570 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 570 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 570 G C -0.087 174.616 174.900 -0.328 0.000 0.997 570 G CA 0.566 45.254 45.100 -0.686 0.000 0.708 570 G HN 0.242 nan 8.290 nan 0.000 0.520 571 V N 0.075 119.857 119.914 -0.219 0.000 2.766 571 V HA 0.579 4.699 4.120 -0.000 0.000 0.286 571 V C -0.308 175.665 176.094 -0.202 0.000 1.237 571 V CA -0.396 61.752 62.300 -0.254 0.000 0.934 571 V CB 1.161 32.747 31.823 -0.395 0.000 1.068 571 V HN 1.024 nan 8.190 nan 0.000 0.451 572 F N 4.378 124.117 119.950 -0.352 0.000 2.790 572 F HA 0.989 5.515 4.527 -0.000 0.000 0.337 572 F C -0.551 175.088 175.800 -0.268 0.000 1.163 572 F CA -1.118 56.692 58.000 -0.316 0.000 0.997 572 F CB 2.164 41.022 39.000 -0.237 0.000 1.437 572 F HN 0.534 nan 8.300 nan 0.000 0.512 573 M N 0.898 120.218 119.600 -0.465 0.000 2.813 573 M HA 0.710 5.190 4.480 -0.000 0.000 0.270 573 M C -1.835 174.160 176.300 -0.509 0.000 1.267 573 M CA -0.510 54.530 55.300 -0.434 0.000 0.822 573 M CB 2.210 34.785 32.600 -0.043 0.000 1.671 573 M HN 0.930 nan 8.290 nan 0.000 0.468 574 T N 1.712 116.135 114.554 -0.218 0.000 3.435 574 T HA 0.602 4.952 4.350 -0.000 0.000 0.344 574 T C -1.151 173.527 174.700 -0.037 0.000 1.211 574 T CA -0.768 61.254 62.100 -0.131 0.000 1.104 574 T CB 1.228 70.089 68.868 -0.012 0.000 1.196 574 T HN 0.922 nan 8.240 nan 0.000 0.471 575 M N 3.062 122.693 119.600 0.052 0.000 2.706 575 M HA 0.929 5.409 4.480 -0.000 0.000 0.304 575 M C -0.978 175.232 176.300 -0.149 0.000 1.217 575 M CA -1.036 54.276 55.300 0.020 0.000 0.922 575 M CB 1.741 34.448 32.600 0.178 0.000 1.637 575 M HN 0.268 nan 8.290 nan 0.000 0.492 576 V N 0.589 120.416 119.914 -0.145 0.000 2.864 576 V HA 0.676 4.796 4.120 -0.000 0.000 0.314 576 V C -1.003 175.008 176.094 -0.139 0.000 1.073 576 V CA -0.492 61.688 62.300 -0.199 0.000 0.956 576 V CB 1.723 33.439 31.823 -0.179 0.000 1.023 576 V HN 0.904 nan 8.190 nan 0.000 0.435 577 Q N 2.578 122.286 119.800 -0.153 0.000 2.444 577 Q HA 0.469 4.808 4.340 -0.000 0.000 0.239 577 Q C -2.025 173.931 176.000 -0.073 0.000 0.853 577 Q CA -0.203 55.547 55.803 -0.089 0.000 0.856 577 Q CB 1.277 29.968 28.738 -0.078 0.000 1.413 577 Q HN 0.609 nan 8.270 nan 0.000 0.437 578 L N 4.761 125.960 121.223 -0.041 0.000 2.416 578 L HA 0.664 5.004 4.340 -0.000 0.000 0.262 578 L C -1.733 175.135 176.870 -0.003 0.000 1.093 578 L CA -1.708 53.115 54.840 -0.027 0.000 0.801 578 L CB 0.590 42.637 42.059 -0.020 0.000 1.191 578 L HN 0.622 nan 8.230 nan 0.000 0.459 579 P HA 0.038 nan 4.420 nan 0.000 0.288 579 P C -0.872 176.450 177.300 0.037 0.000 1.291 579 P CA -0.521 62.592 63.100 0.022 0.000 0.766 579 P CB 0.310 32.022 31.700 0.020 0.000 1.242 580 A N -0.421 122.431 122.820 0.052 0.000 2.526 580 A HA 0.391 4.711 4.320 -0.000 0.000 0.267 580 A C 1.319 178.951 177.584 0.079 0.000 1.095 580 A CA 0.633 52.715 52.037 0.075 0.000 0.775 580 A CB -1.944 17.115 19.000 0.099 0.000 1.036 580 A HN 0.880 nan 8.150 nan 0.000 0.510 581 G N 1.338 110.187 108.800 0.081 0.000 2.225 581 G HA2 0.174 4.134 3.960 -0.000 0.000 0.264 581 G HA3 0.174 4.134 3.960 -0.000 0.000 0.264 581 G C 0.463 175.401 174.900 0.063 0.000 1.060 581 G CA 0.379 45.531 45.100 0.086 0.000 0.833 581 G HN 2.087 nan 8.290 nan 0.000 0.498 582 A N -0.369 122.478 122.820 0.044 0.000 2.313 582 A HA 0.883 5.203 4.320 -0.000 0.000 0.261 582 A C 1.067 178.666 177.584 0.025 0.000 1.090 582 A CA 0.956 53.010 52.037 0.027 0.000 0.807 582 A CB 0.473 19.481 19.000 0.013 0.000 1.055 582 A HN 1.781 nan 8.150 nan 0.000 0.492 583 T N -1.786 112.776 114.554 0.014 0.000 2.893 583 T HA 0.361 4.710 4.350 -0.000 0.000 0.279 583 T C 0.902 175.603 174.700 0.000 0.000 0.991 583 T CA 0.195 62.302 62.100 0.010 0.000 0.950 583 T CB 0.930 69.801 68.868 0.005 0.000 1.223 583 T HN 0.651 nan 8.240 nan 0.000 0.585 584 Q N -0.602 119.197 119.800 -0.003 0.000 2.245 584 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 584 Q C 1.997 177.985 176.000 -0.019 0.000 0.955 584 Q CA 0.930 56.728 55.803 -0.008 0.000 0.870 584 Q CB 0.026 28.762 28.738 -0.003 0.000 0.945 584 Q HN 0.784 nan 8.270 nan 0.000 0.461 585 E N 0.241 120.428 120.200 -0.021 0.000 2.230 585 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 585 E C 1.917 178.502 176.600 -0.025 0.000 0.987 585 E CA 0.268 56.652 56.400 -0.026 0.000 0.841 585 E CB 0.175 29.858 29.700 -0.029 0.000 0.783 585 E HN 0.259 nan 8.360 nan 0.000 0.481 586 R N -0.049 120.438 120.500 -0.021 0.000 2.062 586 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 586 R C 2.368 178.650 176.300 -0.031 0.000 1.128 586 R CA 1.677 57.764 56.100 -0.022 0.000 0.960 586 R CB -0.404 29.888 30.300 -0.014 0.000 0.855 586 R HN 0.017 nan 8.270 nan 0.000 0.432 587 T N -0.033 114.501 114.554 -0.033 0.000 2.915 587 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 587 T C 1.671 176.335 174.700 -0.061 0.000 1.071 587 T CA 1.370 63.441 62.100 -0.047 0.000 1.132 587 T CB -0.002 68.842 68.868 -0.040 0.000 0.878 587 T HN 0.196 nan 8.240 nan 0.000 0.479 588 Q N 1.403 121.172 119.800 -0.051 0.000 2.167 588 Q HA 0.029 4.369 4.340 -0.000 0.000 0.202 588 Q C 2.128 178.091 176.000 -0.062 0.000 0.970 588 Q CA 1.604 57.372 55.803 -0.058 0.000 0.855 588 Q CB -0.358 28.354 28.738 -0.044 0.000 0.911 588 Q HN 0.604 nan 8.270 nan 0.000 0.438 589 K N -0.777 119.593 120.400 -0.050 0.000 2.097 589 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 589 K C 1.613 178.175 176.600 -0.065 0.000 1.049 589 K CA 1.501 57.761 56.287 -0.044 0.000 0.933 589 K CB 0.026 32.508 32.500 -0.030 0.000 0.717 589 K HN 0.166 nan 8.250 nan 0.000 0.442 590 V N 1.596 121.464 119.914 -0.077 0.000 2.379 590 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 590 V C 2.327 178.331 176.094 -0.150 0.000 1.044 590 V CA 1.279 63.521 62.300 -0.097 0.000 1.036 590 V CB -0.344 31.417 31.823 -0.102 0.000 0.664 590 V HN 0.260 nan 8.190 nan 0.000 0.453 591 L N 0.607 121.735 121.223 -0.158 0.000 2.187 591 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 591 L C 2.401 179.116 176.870 -0.259 0.000 1.100 591 L CA 1.345 56.066 54.840 -0.198 0.000 0.765 591 L CB -0.637 41.327 42.059 -0.158 0.000 0.904 591 L HN 0.403 nan 8.230 nan 0.000 0.437 592 N N -0.189 118.362 118.700 -0.249 0.000 2.109 592 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 592 N C 1.722 176.789 175.510 -0.738 0.000 1.034 592 N CA 1.255 54.052 53.050 -0.422 0.000 0.846 592 N CB -0.196 38.218 38.487 -0.122 0.000 1.010 592 N HN 0.410 nan 8.380 nan 0.000 0.425 593 E N 0.558 120.569 120.200 -0.316 0.000 2.118 593 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 593 E C 1.976 178.500 176.600 -0.127 0.000 0.992 593 E CA 0.785 57.089 56.400 -0.160 0.000 0.804 593 E CB 0.056 29.743 29.700 -0.022 0.000 0.741 593 E HN 0.077 nan 8.360 nan 0.000 0.458 594 V N 0.851 120.659 119.914 -0.177 0.000 2.307 594 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 594 V C 2.263 178.104 176.094 -0.421 0.000 1.045 594 V CA 2.127 64.315 62.300 -0.186 0.000 1.024 594 V CB -0.636 30.956 31.823 -0.384 0.000 0.651 594 V HN 0.318 nan 8.190 nan 0.000 0.449 595 T N -0.860 113.435 114.554 -0.432 0.000 2.881 595 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 595 T C 1.624 176.323 174.700 -0.002 0.000 1.068 595 T CA 1.520 63.454 62.100 -0.276 0.000 1.131 595 T CB -0.284 68.448 68.868 -0.227 0.000 0.871 595 T HN 0.589 nan 8.240 nan 0.000 0.479 596 H N -1.325 117.731 119.070 -0.023 0.000 2.582 596 H HA 0.227 4.783 4.556 -0.000 0.000 0.269 596 H C 1.669 177.046 175.328 0.082 0.000 0.962 596 H CA -0.245 55.820 56.048 0.027 0.000 1.230 596 H CB -0.729 29.038 29.762 0.009 0.000 1.445 596 H HN 0.422 nan 8.280 nan 0.000 0.528 597 Y N 1.062 121.398 120.300 0.060 0.000 2.256 597 Y HA -0.317 4.233 4.550 -0.000 0.000 0.288 597 Y C 1.478 177.560 175.900 0.304 0.000 1.155 597 Y CA 1.451 59.609 58.100 0.097 0.000 1.203 597 Y CB -0.104 38.351 38.460 -0.007 0.000 0.980 597 Y HN 0.035 nan 8.280 nan 0.000 0.530 598 Y N -1.183 119.281 120.300 0.273 0.000 2.365 598 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 598 Y C 2.070 178.022 175.900 0.087 0.000 1.119 598 Y CA 0.516 58.732 58.100 0.193 0.000 1.203 598 Y CB -0.746 37.838 38.460 0.208 0.000 1.026 598 Y HN 0.174 nan 8.280 nan 0.000 0.549 599 L N -1.570 119.795 121.223 0.237 0.000 2.298 599 L HA -0.027 4.312 4.340 -0.000 0.000 0.209 599 L C 2.348 179.243 176.870 0.042 0.000 1.084 599 L CA 1.415 56.323 54.840 0.113 0.000 0.816 599 L CB -0.126 41.985 42.059 0.087 0.000 0.967 599 L HN 0.105 nan 8.230 nan 0.000 0.460 600 T N -1.329 113.244 114.554 0.031 0.000 3.046 600 T HA 0.022 4.372 4.350 -0.000 0.000 0.242 600 T C 1.467 176.125 174.700 -0.069 0.000 1.018 600 T CA 0.422 62.508 62.100 -0.023 0.000 1.131 600 T CB 0.257 69.111 68.868 -0.024 0.000 0.904 600 T HN 0.041 nan 8.240 nan 0.000 0.459 601 K N 0.884 121.200 120.400 -0.140 0.000 2.446 601 K HA 0.261 4.581 4.320 -0.000 0.000 0.203 601 K C -0.100 176.351 176.600 -0.248 0.000 1.027 601 K CA 0.176 56.298 56.287 -0.275 0.000 1.166 601 K CB 0.475 32.629 32.500 -0.576 0.000 0.869 601 K HN 0.232 nan 8.250 nan 0.000 0.504 602 E N 0.093 120.236 120.200 -0.097 0.000 3.914 602 E HA 0.081 4.431 4.350 -0.000 0.000 0.241 602 E C -0.131 176.472 176.600 0.005 0.000 1.127 602 E CA 0.073 56.454 56.400 -0.033 0.000 1.369 602 E CB 0.316 30.034 29.700 0.031 0.000 1.231 602 E HN -0.035 nan 8.360 nan 0.000 0.396 603 K N -0.342 120.052 120.400 -0.010 0.000 2.021 603 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 603 K C 1.326 177.925 176.600 -0.001 0.000 1.047 603 K CA 1.200 57.487 56.287 -0.000 0.000 0.943 603 K CB 0.006 32.500 32.500 -0.009 0.000 0.725 603 K HN 0.089 nan 8.250 nan 0.000 0.439 604 N N 0.843 119.538 118.700 -0.008 0.000 2.184 604 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 604 N C 1.223 176.729 175.510 -0.006 0.000 1.011 604 N CA 1.471 54.517 53.050 -0.006 0.000 0.867 604 N CB -0.066 38.416 38.487 -0.008 0.000 0.993 604 N HN 0.276 nan 8.380 nan 0.000 0.433 605 N N -1.098 117.597 118.700 -0.009 0.000 2.508 605 N HA 0.086 4.826 4.740 -0.000 0.000 0.186 605 N C -0.562 174.940 175.510 -0.012 0.000 1.034 605 N CA 0.057 53.098 53.050 -0.016 0.000 0.885 605 N CB 0.852 39.325 38.487 -0.023 0.000 1.135 605 N HN -0.102 nan 8.380 nan 0.000 0.435 606 V N 1.751 121.669 119.914 0.007 0.000 2.465 606 V HA 0.090 4.210 4.120 -0.000 0.000 0.279 606 V C 0.884 176.992 176.094 0.023 0.000 1.045 606 V CA 0.092 62.405 62.300 0.021 0.000 0.938 606 V CB 1.728 33.586 31.823 0.059 0.000 0.986 606 V HN 0.169 nan 8.190 nan 0.000 0.467 607 E N 3.052 123.266 120.200 0.024 0.000 2.162 607 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 607 E C 0.605 177.240 176.600 0.057 0.000 0.953 607 E CA 0.973 57.396 56.400 0.038 0.000 0.849 607 E CB 0.481 30.204 29.700 0.038 0.000 0.810 607 E HN 0.819 nan 8.360 nan 0.000 0.470 608 S N -0.632 115.114 115.700 0.076 0.000 2.570 608 S HA 0.503 4.973 4.470 -0.000 0.000 0.286 608 S C -0.607 174.071 174.600 0.131 0.000 1.143 608 S CA -0.623 57.626 58.200 0.081 0.000 0.921 608 S CB 0.618 63.976 63.200 0.263 0.000 1.108 608 S HN -0.046 nan 8.310 nan 0.000 0.456 609 V N 1.995 121.951 119.914 0.070 0.000 3.463 609 V HA 0.797 4.917 4.120 -0.000 0.000 0.302 609 V C -0.391 175.886 176.094 0.305 0.000 1.097 609 V CA -0.775 61.624 62.300 0.164 0.000 1.003 609 V CB 1.015 32.916 31.823 0.131 0.000 1.229 609 V HN 1.034 nan 8.190 nan 0.000 0.444 610 F N 0.584 120.590 119.950 0.093 0.000 3.256 610 F HA 0.651 5.178 4.527 -0.000 0.000 0.406 610 F C 0.154 175.900 175.800 -0.089 0.000 1.157 610 F CA -0.377 57.676 58.000 0.088 0.000 1.278 610 F CB -0.132 38.941 39.000 0.121 0.000 2.424 610 F HN 0.694 nan 8.300 nan 0.000 0.675 611 A N 2.146 124.812 122.820 -0.255 0.000 2.406 611 A HA 0.715 5.035 4.320 -0.000 0.000 0.243 611 A C -0.829 176.550 177.584 -0.342 0.000 1.082 611 A CA -0.134 51.751 52.037 -0.253 0.000 0.786 611 A CB 0.769 19.653 19.000 -0.193 0.000 1.029 611 A HN 0.610 nan 8.150 nan 0.000 0.495 612 V N 1.834 121.613 119.914 -0.224 0.000 2.752 612 V HA 0.282 4.402 4.120 -0.000 0.000 0.302 612 V C -0.498 175.546 176.094 -0.084 0.000 1.133 612 V CA -0.659 61.561 62.300 -0.133 0.000 0.919 612 V CB 1.934 33.720 31.823 -0.061 0.000 1.026 612 V HN 1.027 nan 8.190 nan 0.000 0.429 613 N N 3.058 121.729 118.700 -0.047 0.000 2.476 613 N HA 0.577 5.317 4.740 -0.000 0.000 0.257 613 N C 0.475 175.988 175.510 0.005 0.000 0.970 613 N CA 0.470 53.499 53.050 -0.035 0.000 0.938 613 N CB 1.345 39.805 38.487 -0.045 0.000 1.144 613 N HN 1.142 nan 8.380 nan 0.000 0.500 614 G N 3.338 112.152 108.800 0.024 0.000 2.151 614 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.156 614 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.156 614 G C -0.552 174.427 174.900 0.131 0.000 1.017 614 G CA -0.312 44.819 45.100 0.051 0.000 0.686 614 G HN 0.606 nan 8.290 nan 0.000 0.503 615 F N 0.935 120.840 119.950 -0.075 0.000 3.228 615 F HA 0.544 5.071 4.527 -0.000 0.000 0.385 615 F C 0.456 176.219 175.800 -0.061 0.000 1.247 615 F CA -0.354 57.589 58.000 -0.095 0.000 1.211 615 F CB 0.501 39.404 39.000 -0.162 0.000 1.719 615 F HN 0.294 nan 8.300 nan 0.000 0.630 616 G N 2.020 110.812 108.800 -0.013 0.000 2.537 616 G HA2 0.235 4.195 3.960 -0.000 0.000 0.297 616 G HA3 0.235 4.195 3.960 -0.000 0.000 0.297 616 G C -0.563 174.248 174.900 -0.148 0.000 1.310 616 G CA -0.437 44.608 45.100 -0.092 0.000 1.027 616 G HN 0.570 nan 8.290 nan 0.000 0.505 617 F N 0.267 120.227 119.950 0.016 0.000 2.727 617 F HA 0.309 4.836 4.527 -0.000 0.000 0.302 617 F C 2.266 178.128 175.800 0.104 0.000 1.097 617 F CA 0.182 58.234 58.000 0.086 0.000 1.330 617 F CB 0.426 39.495 39.000 0.114 0.000 1.084 617 F HN 0.417 nan 8.300 nan 0.000 0.578 618 A N -0.374 122.593 122.820 0.245 0.000 1.854 618 A HA 0.414 4.734 4.320 -0.000 0.000 0.214 618 A C 1.881 179.566 177.584 0.168 0.000 1.192 618 A CA 1.760 53.905 52.037 0.180 0.000 0.611 618 A CB -0.835 18.245 19.000 0.132 0.000 0.832 618 A HN 0.423 nan 8.150 nan 0.000 0.442 619 G N -2.000 106.895 108.800 0.157 0.000 3.262 619 G HA2 0.455 4.415 3.960 -0.000 0.000 0.148 619 G HA3 0.455 4.415 3.960 -0.000 0.000 0.148 619 G C -0.296 174.711 174.900 0.179 0.000 1.197 619 G CA -0.035 45.156 45.100 0.152 0.000 1.469 619 G HN 0.440 nan 8.290 nan 0.000 0.717 620 R N -1.039 119.533 120.500 0.120 0.000 2.962 620 R HA 0.708 5.048 4.340 -0.000 0.000 0.256 620 R C -0.247 176.097 176.300 0.073 0.000 1.199 620 R CA -0.264 55.901 56.100 0.108 0.000 1.012 620 R CB 1.409 31.732 30.300 0.039 0.000 1.289 620 R HN 1.918 nan 8.270 nan 0.000 0.462 621 G N -0.061 108.772 108.800 0.055 0.000 2.497 621 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 621 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 621 G C -0.244 174.679 174.900 0.038 0.000 1.288 621 G CA -0.657 44.468 45.100 0.043 0.000 0.899 621 G HN 0.539 nan 8.290 nan 0.000 0.608 622 Q N -0.111 119.708 119.800 0.032 0.000 2.472 622 Q HA -0.018 4.322 4.340 -0.000 0.000 0.208 622 Q C 2.054 178.063 176.000 0.016 0.000 0.958 622 Q CA 1.057 56.873 55.803 0.023 0.000 0.932 622 Q CB 0.003 28.755 28.738 0.023 0.000 1.007 622 Q HN 0.494 nan 8.270 nan 0.000 0.508 623 N N 0.968 119.681 118.700 0.023 0.000 2.135 623 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 623 N C 1.186 176.697 175.510 0.000 0.000 1.027 623 N CA 1.512 54.571 53.050 0.015 0.000 0.849 623 N CB -0.490 38.013 38.487 0.027 0.000 1.002 623 N HN 0.351 nan 8.380 nan 0.000 0.425 624 T N -2.146 112.416 114.554 0.014 0.000 2.732 624 T HA 0.652 5.002 4.350 -0.000 0.000 0.287 624 T C 0.613 175.303 174.700 -0.017 0.000 0.993 624 T CA -0.242 61.861 62.100 0.006 0.000 0.966 624 T CB 1.391 70.284 68.868 0.041 0.000 1.047 624 T HN 0.280 nan 8.240 nan 0.000 0.527 625 G N -0.769 108.006 108.800 -0.041 0.000 2.356 625 G HA2 0.536 4.496 3.960 -0.000 0.000 0.294 625 G HA3 0.536 4.496 3.960 -0.000 0.000 0.294 625 G C -1.963 172.878 174.900 -0.099 0.000 1.423 625 G CA -0.603 44.454 45.100 -0.073 0.000 0.806 625 G HN 1.146 nan 8.290 nan 0.000 0.527 626 I N -0.751 119.744 120.570 -0.124 0.000 2.763 626 I HA 0.651 4.821 4.170 -0.000 0.000 0.292 626 I C -1.212 174.822 176.117 -0.139 0.000 1.610 626 I CA -0.628 60.616 61.300 -0.093 0.000 1.002 626 I CB 1.970 39.959 38.000 -0.018 0.000 1.416 626 I HN 1.359 nan 8.210 nan 0.000 0.479 627 A N 6.164 128.946 122.820 -0.063 0.000 2.335 627 A HA 0.766 5.085 4.320 -0.000 0.000 0.304 627 A C -1.435 176.255 177.584 0.178 0.000 1.118 627 A CA -0.333 51.680 52.037 -0.041 0.000 0.757 627 A CB 0.536 19.497 19.000 -0.065 0.000 1.188 627 A HN 0.415 nan 8.150 nan 0.000 0.460 628 F N 2.282 122.316 119.950 0.140 0.000 2.438 628 F HA 0.412 4.938 4.527 -0.000 0.000 0.356 628 F C 0.525 176.338 175.800 0.020 0.000 1.099 628 F CA -0.872 57.196 58.000 0.112 0.000 1.185 628 F CB 0.870 40.012 39.000 0.235 0.000 1.115 628 F HN 0.281 nan 8.300 nan 0.000 0.526 629 V N 1.869 121.750 119.914 -0.055 0.000 2.716 629 V HA 0.563 4.683 4.120 -0.000 0.000 0.304 629 V C 0.048 176.068 176.094 -0.122 0.000 1.053 629 V CA -0.762 61.418 62.300 -0.200 0.000 0.984 629 V CB 1.768 33.115 31.823 -0.794 0.000 1.021 629 V HN 0.749 nan 8.190 nan 0.000 0.467 630 S N 3.463 119.147 115.700 -0.027 0.000 2.652 630 S HA 0.535 5.005 4.470 -0.000 0.000 0.252 630 S C -0.807 173.779 174.600 -0.023 0.000 1.219 630 S CA -0.574 57.619 58.200 -0.013 0.000 1.151 630 S CB 0.028 63.273 63.200 0.075 0.000 1.080 630 S HN 0.564 nan 8.310 nan 0.000 0.481 631 L N 3.959 125.144 121.223 -0.065 0.000 2.410 631 L HA 0.354 4.694 4.340 -0.000 0.000 0.273 631 L C 0.997 177.791 176.870 -0.127 0.000 1.152 631 L CA -0.575 54.219 54.840 -0.077 0.000 0.855 631 L CB 0.343 42.341 42.059 -0.102 0.000 1.129 631 L HN 0.442 nan 8.230 nan 0.000 0.463 632 K N 3.331 123.685 120.400 -0.077 0.000 2.591 632 K HA -0.104 4.216 4.320 -0.000 0.000 0.280 632 K C 0.025 176.534 176.600 -0.152 0.000 0.964 632 K CA 0.193 56.435 56.287 -0.075 0.000 1.014 632 K CB 0.193 32.674 32.500 -0.032 0.000 0.877 632 K HN 0.733 nan 8.250 nan 0.000 0.502 633 D N 1.742 122.063 120.400 -0.131 0.000 2.370 633 D HA -0.159 4.481 4.640 -0.000 0.000 0.235 633 D C 0.779 177.029 176.300 -0.082 0.000 1.228 633 D CA 0.156 54.042 54.000 -0.190 0.000 0.884 633 D CB 0.230 41.025 40.800 -0.009 0.000 1.201 633 D HN 0.506 nan 8.370 nan 0.000 0.456 634 W N 0.302 121.632 121.300 0.050 0.000 2.595 634 W HA 0.251 4.911 4.660 -0.000 0.000 0.257 634 W C 2.385 178.925 176.519 0.035 0.000 1.267 634 W CA 0.542 57.914 57.345 0.045 0.000 1.300 634 W CB -1.047 28.449 29.460 0.061 0.000 1.120 634 W HN 0.561 nan 8.180 nan 0.000 0.618 635 A N 1.155 124.134 122.820 0.266 0.000 1.872 635 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 635 A C 1.458 179.105 177.584 0.104 0.000 1.187 635 A CA 1.892 54.024 52.037 0.158 0.000 0.614 635 A CB -0.966 18.113 19.000 0.130 0.000 0.826 635 A HN 0.220 nan 8.150 nan 0.000 0.442 636 D N -1.071 119.379 120.400 0.083 0.000 2.350 636 D HA -0.007 4.633 4.640 -0.000 0.000 0.216 636 D C 0.940 177.266 176.300 0.044 0.000 0.968 636 D CA 0.580 54.611 54.000 0.050 0.000 0.894 636 D CB 0.019 40.838 40.800 0.032 0.000 0.909 636 D HN 0.222 nan 8.370 nan 0.000 0.520 637 R N 0.407 120.945 120.500 0.064 0.000 2.575 637 R HA 0.158 4.498 4.340 -0.000 0.000 0.281 637 R C -1.828 174.521 176.300 0.081 0.000 1.272 637 R CA -1.188 54.946 56.100 0.056 0.000 1.417 637 R CB 1.251 31.576 30.300 0.042 0.000 1.121 637 R HN 0.112 nan 8.270 nan 0.000 0.583 638 P HA 0.025 nan 4.420 nan 0.000 0.214 638 P C 0.804 178.131 177.300 0.045 0.000 1.152 638 P CA 0.524 63.657 63.100 0.056 0.000 0.874 638 P CB 0.185 31.909 31.700 0.039 0.000 0.782 639 G N 0.316 109.134 108.800 0.030 0.000 2.699 639 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.246 639 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.246 639 G C 0.867 175.780 174.900 0.021 0.000 1.219 639 G CA -0.206 44.906 45.100 0.020 0.000 0.866 639 G HN 0.123 nan 8.290 nan 0.000 0.572 640 E N -0.271 119.936 120.200 0.012 0.000 2.204 640 E HA -0.114 4.235 4.350 -0.000 0.000 0.194 640 E C 1.993 178.592 176.600 -0.002 0.000 0.989 640 E CA 0.836 57.241 56.400 0.008 0.000 0.824 640 E CB 0.176 29.875 29.700 -0.000 0.000 0.756 640 E HN 0.529 nan 8.360 nan 0.000 0.477 641 E N 0.376 120.574 120.200 -0.004 0.000 2.208 641 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 641 E C 0.763 177.354 176.600 -0.016 0.000 0.988 641 E CA 0.500 56.893 56.400 -0.011 0.000 0.828 641 E CB -0.469 29.226 29.700 -0.007 0.000 0.763 641 E HN 0.138 nan 8.360 nan 0.000 0.478 642 N N 1.345 120.041 118.700 -0.006 0.000 2.484 642 N HA 0.018 4.758 4.740 -0.000 0.000 0.245 642 N C -0.248 175.262 175.510 0.000 0.000 1.184 642 N CA 0.182 53.229 53.050 -0.006 0.000 0.884 642 N CB 0.261 38.754 38.487 0.010 0.000 1.182 642 N HN -0.017 nan 8.380 nan 0.000 0.493 643 K N -0.143 120.247 120.400 -0.016 0.000 2.498 643 K HA 0.199 4.519 4.320 -0.000 0.000 0.254 643 K C 0.392 176.949 176.600 -0.072 0.000 0.933 643 K CA -0.416 55.868 56.287 -0.005 0.000 0.806 643 K CB 1.616 34.142 32.500 0.043 0.000 1.301 643 K HN -0.201 nan 8.250 nan 0.000 0.432 644 V N 2.200 122.051 119.914 -0.105 0.000 2.688 644 V HA -0.190 3.930 4.120 -0.000 0.000 0.256 644 V C 2.229 178.206 176.094 -0.195 0.000 1.084 644 V CA 1.722 63.877 62.300 -0.242 0.000 1.103 644 V CB -0.572 31.101 31.823 -0.250 0.000 0.688 644 V HN 0.739 nan 8.190 nan 0.000 0.480 645 E N 1.134 121.279 120.200 -0.093 0.000 2.038 645 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 645 E C 2.277 178.833 176.600 -0.073 0.000 1.000 645 E CA 2.034 58.397 56.400 -0.063 0.000 0.803 645 E CB -0.369 29.315 29.700 -0.026 0.000 0.750 645 E HN 0.564 nan 8.360 nan 0.000 0.448 646 A N 0.086 122.865 122.820 -0.068 0.000 2.067 646 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 646 A C 2.349 179.887 177.584 -0.076 0.000 1.156 646 A CA 0.528 52.532 52.037 -0.055 0.000 0.683 646 A CB -0.335 18.644 19.000 -0.034 0.000 0.808 646 A HN 0.256 nan 8.150 nan 0.000 0.455 647 I N 0.196 120.677 120.570 -0.149 0.000 2.286 647 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 647 I C 2.415 178.403 176.117 -0.215 0.000 1.104 647 I CA 1.706 62.887 61.300 -0.199 0.000 1.397 647 I CB -0.407 37.382 38.000 -0.353 0.000 1.072 647 I HN 0.444 nan 8.210 nan 0.000 0.417 648 T N -1.949 112.430 114.554 -0.291 0.000 3.148 648 T HA 0.083 4.433 4.350 -0.000 0.000 0.253 648 T C 1.583 176.270 174.700 -0.021 0.000 1.134 648 T CA 0.264 62.269 62.100 -0.159 0.000 1.051 648 T CB 0.162 68.918 68.868 -0.186 0.000 0.959 648 T HN 0.072 nan 8.240 nan 0.000 0.525 649 M N 2.084 121.666 119.600 -0.030 0.000 2.384 649 M HA 0.201 4.681 4.480 -0.000 0.000 0.258 649 M C 2.511 178.815 176.300 0.008 0.000 1.130 649 M CA 1.211 56.510 55.300 -0.002 0.000 1.187 649 M CB -0.436 32.157 32.600 -0.011 0.000 1.307 649 M HN 0.420 nan 8.290 nan 0.000 0.468 650 R N 0.003 120.513 120.500 0.016 0.000 2.236 650 R HA 0.206 4.546 4.340 -0.000 0.000 0.208 650 R C 1.886 178.155 176.300 -0.051 0.000 1.036 650 R CA 1.101 57.222 56.100 0.035 0.000 1.001 650 R CB -0.687 29.677 30.300 0.106 0.000 0.896 650 R HN 0.209 nan 8.270 nan 0.000 0.464 651 A N 1.785 124.564 122.820 -0.067 0.000 1.854 651 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 651 A C 2.345 179.772 177.584 -0.262 0.000 1.192 651 A CA 1.683 53.550 52.037 -0.283 0.000 0.611 651 A CB -1.159 17.947 19.000 0.177 0.000 0.832 651 A HN 0.514 nan 8.150 nan 0.000 0.442 652 T N -1.582 113.030 114.554 0.097 0.000 2.803 652 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 652 T C 1.937 176.690 174.700 0.088 0.000 1.052 652 T CA 1.468 63.710 62.100 0.238 0.000 1.136 652 T CB -0.369 68.633 68.868 0.223 0.000 0.864 652 T HN 0.511 nan 8.240 nan 0.000 0.467 653 R N 1.434 121.917 120.500 -0.027 0.000 2.081 653 R HA 0.069 4.409 4.340 -0.000 0.000 0.235 653 R C 2.710 178.936 176.300 -0.122 0.000 1.131 653 R CA 1.300 57.375 56.100 -0.041 0.000 0.960 653 R CB -0.716 29.567 30.300 -0.029 0.000 0.856 653 R HN 0.472 nan 8.270 nan 0.000 0.436 654 A N 0.040 122.654 122.820 -0.343 0.000 1.969 654 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 654 A C 1.676 179.000 177.584 -0.434 0.000 1.169 654 A CA 1.037 52.782 52.037 -0.487 0.000 0.635 654 A CB -0.444 17.958 19.000 -0.997 0.000 0.810 654 A HN 0.381 nan 8.150 nan 0.000 0.445 655 F N 0.542 120.425 119.950 -0.111 0.000 2.615 655 F HA 0.018 4.545 4.527 -0.000 0.000 0.297 655 F C 2.469 178.253 175.800 -0.027 0.000 1.124 655 F CA 0.938 58.891 58.000 -0.079 0.000 1.451 655 F CB -0.242 38.708 39.000 -0.082 0.000 1.103 655 F HN 0.280 nan 8.300 nan 0.000 0.569 656 S N -1.548 114.234 115.700 0.137 0.000 2.575 656 S HA 0.058 4.528 4.470 -0.000 0.000 0.215 656 S C 1.538 176.171 174.600 0.054 0.000 0.966 656 S CA 0.003 58.266 58.200 0.105 0.000 0.911 656 S CB 0.047 63.316 63.200 0.113 0.000 0.780 656 S HN 0.283 nan 8.310 nan 0.000 0.514 657 Q N 1.236 121.051 119.800 0.025 0.000 2.514 657 Q HA 0.362 4.702 4.340 -0.000 0.000 0.208 657 Q C 1.218 177.227 176.000 0.015 0.000 0.938 657 Q CA 0.872 56.681 55.803 0.010 0.000 0.892 657 Q CB 0.166 28.896 28.738 -0.012 0.000 1.050 657 Q HN 0.801 nan 8.270 nan 0.000 0.595 658 I N -1.169 119.407 120.570 0.010 0.000 3.376 658 I HA 0.465 4.635 4.170 -0.000 0.000 0.347 658 I C -0.485 175.653 176.117 0.034 0.000 1.453 658 I CA -0.306 61.005 61.300 0.019 0.000 1.044 658 I CB 0.334 38.343 38.000 0.015 0.000 1.668 658 I HN -0.183 nan 8.210 nan 0.000 0.490 659 K N 1.249 121.673 120.400 0.039 0.000 2.533 659 K HA 0.353 4.673 4.320 -0.000 0.000 0.284 659 K C -0.844 175.771 176.600 0.026 0.000 1.025 659 K CA -0.540 55.770 56.287 0.039 0.000 0.900 659 K CB 1.926 34.465 32.500 0.066 0.000 1.519 659 K HN 0.340 nan 8.250 nan 0.000 0.432 660 D N -0.384 120.024 120.400 0.013 0.000 2.620 660 D HA 0.275 4.915 4.640 -0.000 0.000 0.260 660 D C -0.161 176.137 176.300 -0.003 0.000 1.367 660 D CA -0.210 53.795 54.000 0.008 0.000 0.805 660 D CB 0.951 41.755 40.800 0.006 0.000 1.096 660 D HN 0.384 nan 8.370 nan 0.000 0.488 661 A N 0.415 123.226 122.820 -0.016 0.000 3.969 661 A HA 0.828 5.148 4.320 -0.000 0.000 0.168 661 A C -1.030 176.513 177.584 -0.069 0.000 0.806 661 A CA -0.670 51.342 52.037 -0.042 0.000 0.871 661 A CB 1.171 20.133 19.000 -0.063 0.000 1.498 661 A HN 0.103 nan 8.150 nan 0.000 0.779 662 M N 0.860 120.371 119.600 -0.149 0.000 2.124 662 M HA 0.506 4.986 4.480 -0.000 0.000 0.280 662 M C -1.737 174.255 176.300 -0.514 0.000 0.954 662 M CA -0.172 54.955 55.300 -0.288 0.000 0.958 662 M CB 2.046 34.487 32.600 -0.265 0.000 1.611 662 M HN 0.306 nan 8.290 nan 0.000 0.449 663 V N 3.740 123.325 119.914 -0.547 0.000 2.709 663 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 663 V C -0.891 174.930 176.094 -0.457 0.000 1.062 663 V CA -0.522 61.395 62.300 -0.639 0.000 0.901 663 V CB 1.980 33.354 31.823 -0.750 0.000 1.003 663 V HN 0.696 nan 8.190 nan 0.000 0.425 664 F N 1.313 121.248 119.950 -0.026 0.000 3.114 664 F HA 0.984 5.511 4.527 -0.000 0.000 0.195 664 F C 0.545 176.430 175.800 0.142 0.000 1.540 664 F CA -0.489 57.585 58.000 0.124 0.000 0.910 664 F CB 0.143 39.263 39.000 0.200 0.000 1.972 664 F HN 0.729 nan 8.300 nan 0.000 0.385 665 A N -0.089 123.003 122.820 0.453 0.000 2.487 665 A HA 0.498 4.818 4.320 -0.000 0.000 0.289 665 A C -2.046 175.698 177.584 0.267 0.000 0.888 665 A CA -0.792 51.374 52.037 0.214 0.000 0.682 665 A CB -0.778 18.434 19.000 0.354 0.000 1.078 665 A HN 1.071 nan 8.150 nan 0.000 0.359 666 F N 0.565 120.675 119.950 0.266 0.000 2.654 666 F HA 0.576 5.103 4.527 -0.000 0.000 0.314 666 F C -0.039 175.835 175.800 0.124 0.000 1.116 666 F CA -0.927 57.154 58.000 0.136 0.000 1.017 666 F CB 0.901 39.959 39.000 0.096 0.000 1.285 666 F HN 0.666 nan 8.300 nan 0.000 0.448 667 N N 3.843 122.662 118.700 0.199 0.000 2.374 667 N HA 0.005 4.745 4.740 -0.000 0.000 0.269 667 N C -0.485 175.160 175.510 0.225 0.000 1.310 667 N CA -0.153 52.975 53.050 0.130 0.000 0.877 667 N CB 1.004 39.527 38.487 0.060 0.000 1.096 667 N HN 0.835 nan 8.380 nan 0.000 0.484 668 L N 2.656 123.989 121.223 0.183 0.000 2.660 668 L HA 0.028 4.367 4.340 -0.000 0.000 0.272 668 L C -1.634 175.294 176.870 0.096 0.000 1.194 668 L CA -1.331 53.617 54.840 0.180 0.000 0.945 668 L CB -0.379 41.716 42.059 0.059 0.000 1.212 668 L HN 0.331 nan 8.230 nan 0.000 0.490 669 P HA -0.041 nan 4.420 nan 0.000 0.254 669 P C 0.469 177.767 177.300 -0.004 0.000 1.186 669 P CA 0.173 63.281 63.100 0.014 0.000 0.868 669 P CB 0.854 32.531 31.700 -0.039 0.000 0.856 670 A N 5.953 128.782 122.820 0.014 0.000 1.883 670 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 670 A C 1.384 178.865 177.584 -0.172 0.000 1.186 670 A CA 1.014 53.056 52.037 0.009 0.000 0.624 670 A CB -1.318 17.761 19.000 0.132 0.000 0.822 670 A HN 0.575 nan 8.150 nan 0.000 0.444 671 I N -1.634 118.862 120.570 -0.124 0.000 2.320 671 I HA -0.186 3.984 4.170 -0.000 0.000 0.157 671 I C 0.551 176.557 176.117 -0.185 0.000 1.444 671 I CA 0.512 61.737 61.300 -0.125 0.000 0.590 671 I CB -1.026 36.972 38.000 -0.003 0.000 1.900 671 I HN 0.091 nan 8.210 nan 0.000 1.157 672 V N -0.213 119.626 119.914 -0.126 0.000 2.919 672 V HA 0.134 4.253 4.120 -0.000 0.000 0.316 672 V C 0.983 177.012 176.094 -0.108 0.000 1.077 672 V CA -0.329 61.900 62.300 -0.118 0.000 0.977 672 V CB 1.468 33.225 31.823 -0.110 0.000 1.039 672 V HN 0.771 nan 8.190 nan 0.000 0.441 673 E N 1.754 121.897 120.200 -0.095 0.000 2.172 673 E HA -0.227 4.123 4.350 -0.000 0.000 0.213 673 E C 0.620 177.160 176.600 -0.100 0.000 1.051 673 E CA 2.135 58.474 56.400 -0.101 0.000 0.860 673 E CB -0.356 29.293 29.700 -0.085 0.000 0.755 673 E HN 0.577 nan 8.360 nan 0.000 0.462 674 L N -3.855 117.310 121.223 -0.096 0.000 2.431 674 L HA 0.668 5.008 4.340 -0.000 0.000 0.260 674 L C 0.854 177.619 176.870 -0.175 0.000 1.098 674 L CA -0.231 54.547 54.840 -0.103 0.000 0.800 674 L CB 1.268 43.285 42.059 -0.069 0.000 1.210 674 L HN 0.131 nan 8.230 nan 0.000 0.465 675 G N -0.065 108.627 108.800 -0.180 0.000 2.470 675 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.286 675 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.286 675 G C 0.454 175.239 174.900 -0.191 0.000 1.115 675 G CA 0.306 45.245 45.100 -0.268 0.000 1.122 675 G HN 1.271 nan 8.290 nan 0.000 0.522 676 T N -1.916 112.570 114.554 -0.112 0.000 2.942 676 T HA 0.536 4.886 4.350 -0.000 0.000 0.265 676 T C 1.476 176.154 174.700 -0.037 0.000 1.062 676 T CA 1.496 63.554 62.100 -0.070 0.000 1.139 676 T CB 0.059 68.880 68.868 -0.079 0.000 0.883 676 T HN 2.536 nan 8.240 nan 0.000 0.468 677 A N 1.359 124.154 122.820 -0.042 0.000 2.435 677 A HA 0.282 4.601 4.320 -0.000 0.000 0.686 677 A C 0.811 178.385 177.584 -0.016 0.000 0.138 677 A CA 0.686 52.715 52.037 -0.013 0.000 0.025 677 A CB -2.376 16.642 19.000 0.031 0.000 3.974 677 A HN 2.304 nan 8.150 nan 0.000 0.548 678 T N -1.289 113.259 114.554 -0.011 0.000 3.803 678 T HA 0.347 4.697 4.350 -0.000 0.000 0.376 678 T C 1.253 175.940 174.700 -0.020 0.000 0.761 678 T CA 2.093 64.188 62.100 -0.009 0.000 1.962 678 T CB -2.254 66.604 68.868 -0.017 0.000 1.780 678 T HN 3.164 nan 8.240 nan 0.000 0.771 679 G N 0.518 109.315 108.800 -0.004 0.000 2.655 679 G HA2 0.658 4.618 3.960 -0.000 0.000 0.296 679 G HA3 0.658 4.618 3.960 -0.000 0.000 0.296 679 G C -1.041 173.883 174.900 0.039 0.000 1.485 679 G CA -0.440 44.624 45.100 -0.060 0.000 0.869 679 G HN 1.423 nan 8.290 nan 0.000 0.540 680 F N -0.475 119.490 119.950 0.025 0.000 2.664 680 F HA 0.886 5.413 4.527 -0.000 0.000 0.317 680 F C -1.546 174.351 175.800 0.162 0.000 1.108 680 F CA -1.751 56.309 58.000 0.101 0.000 0.957 680 F CB 2.353 41.461 39.000 0.180 0.000 1.365 680 F HN 0.356 nan 8.300 nan 0.000 0.475 681 D N 1.591 122.367 120.400 0.626 0.000 2.375 681 D HA 0.241 4.881 4.640 -0.000 0.000 0.259 681 D C -1.608 175.019 176.300 0.546 0.000 1.235 681 D CA -0.122 54.142 54.000 0.441 0.000 0.924 681 D CB 0.742 41.657 40.800 0.192 0.000 1.143 681 D HN 0.458 nan 8.370 nan 0.000 0.529 682 F N 2.054 122.223 119.950 0.365 0.000 2.370 682 F HA 0.536 5.063 4.527 -0.000 0.000 0.319 682 F C 0.103 175.754 175.800 -0.248 0.000 1.129 682 F CA -0.342 57.524 58.000 -0.223 0.000 1.109 682 F CB 1.163 39.945 39.000 -0.364 0.000 1.262 682 F HN 0.219 nan 8.300 nan 0.000 0.534 683 E N 2.410 121.865 120.200 -1.241 0.000 2.343 683 E HA 0.458 4.808 4.350 -0.000 0.000 0.278 683 E C -2.236 173.765 176.600 -0.999 0.000 0.910 683 E CA -0.815 55.062 56.400 -0.872 0.000 0.757 683 E CB 1.697 30.895 29.700 -0.838 0.000 1.218 683 E HN 0.538 nan 8.360 nan 0.000 0.435 684 L N 5.525 126.455 121.223 -0.488 0.000 2.324 684 L HA 0.560 4.900 4.340 -0.000 0.000 0.274 684 L C -1.562 175.207 176.870 -0.168 0.000 1.012 684 L CA -0.182 54.495 54.840 -0.271 0.000 0.859 684 L CB 0.549 42.570 42.059 -0.063 0.000 1.224 684 L HN 0.584 nan 8.230 nan 0.000 0.429 685 I N 3.188 123.658 120.570 -0.167 0.000 2.472 685 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 685 I C -0.085 176.009 176.117 -0.039 0.000 1.016 685 I CA -0.300 60.945 61.300 -0.091 0.000 1.348 685 I CB 1.287 39.228 38.000 -0.099 0.000 1.417 685 I HN 0.622 nan 8.210 nan 0.000 0.521 686 D N 4.387 124.780 120.400 -0.012 0.000 2.456 686 D HA 0.132 4.772 4.640 -0.000 0.000 0.219 686 D C 0.547 176.845 176.300 -0.002 0.000 1.126 686 D CA -0.255 53.746 54.000 0.002 0.000 0.890 686 D CB 1.113 41.925 40.800 0.019 0.000 1.025 686 D HN 0.360 nan 8.370 nan 0.000 0.511 687 Q N 2.844 122.638 119.800 -0.009 0.000 2.137 687 Q HA 0.217 4.557 4.340 -0.000 0.000 0.198 687 Q C 0.667 176.663 176.000 -0.006 0.000 0.960 687 Q CA 0.856 56.651 55.803 -0.013 0.000 0.847 687 Q CB 0.141 28.864 28.738 -0.024 0.000 0.915 687 Q HN 0.641 nan 8.270 nan 0.000 0.448 688 A N -1.130 121.690 122.820 -0.001 0.000 2.388 688 A HA 0.574 4.894 4.320 -0.000 0.000 0.280 688 A C 0.952 178.539 177.584 0.005 0.000 1.377 688 A CA -0.020 52.018 52.037 0.001 0.000 0.863 688 A CB -0.348 18.654 19.000 0.003 0.000 1.416 688 A HN 0.345 nan 8.150 nan 0.000 0.517 689 G N -0.389 108.415 108.800 0.006 0.000 3.496 689 G HA2 0.451 4.411 3.960 -0.000 0.000 0.273 689 G HA3 0.451 4.411 3.960 -0.000 0.000 0.273 689 G C 0.121 175.028 174.900 0.012 0.000 1.279 689 G CA -0.299 44.806 45.100 0.009 0.000 1.041 689 G HN 0.430 nan 8.290 nan 0.000 0.539 690 L N 0.104 121.335 121.223 0.014 0.000 2.453 690 L HA 0.585 4.925 4.340 -0.000 0.000 0.261 690 L C 1.299 178.186 176.870 0.028 0.000 1.179 690 L CA -0.756 54.094 54.840 0.017 0.000 0.813 690 L CB 0.432 42.501 42.059 0.015 0.000 1.110 690 L HN 0.127 nan 8.230 nan 0.000 0.466 691 G N -1.641 107.177 108.800 0.029 0.000 2.543 691 G HA2 0.129 4.089 3.960 -0.000 0.000 0.290 691 G HA3 0.129 4.089 3.960 -0.000 0.000 0.290 691 G C 0.462 175.411 174.900 0.082 0.000 1.310 691 G CA -0.190 44.940 45.100 0.050 0.000 1.025 691 G HN 0.834 nan 8.290 nan 0.000 0.502 692 H N -0.705 118.372 119.070 0.012 0.000 2.423 692 H HA -0.092 4.464 4.556 -0.000 0.000 0.297 692 H C 2.247 177.581 175.328 0.011 0.000 1.075 692 H CA 2.334 58.390 56.048 0.013 0.000 1.342 692 H CB 0.042 29.815 29.762 0.018 0.000 1.395 692 H HN 0.693 nan 8.280 nan 0.000 0.530 693 E N 0.521 120.572 120.200 -0.248 0.000 2.152 693 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 693 E C 1.877 178.392 176.600 -0.141 0.000 0.983 693 E CA 0.834 57.059 56.400 -0.292 0.000 0.818 693 E CB -0.023 29.574 29.700 -0.172 0.000 0.758 693 E HN 0.439 nan 8.360 nan 0.000 0.467 694 K N 0.794 121.155 120.400 -0.065 0.000 2.167 694 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 694 K C 2.263 178.855 176.600 -0.012 0.000 1.052 694 K CA 0.458 56.727 56.287 -0.030 0.000 0.956 694 K CB -0.016 32.478 32.500 -0.010 0.000 0.735 694 K HN 0.136 nan 8.250 nan 0.000 0.451 695 L N 1.228 122.457 121.223 0.009 0.000 2.027 695 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 695 L C 2.086 178.977 176.870 0.034 0.000 1.074 695 L CA 1.372 56.235 54.840 0.038 0.000 0.745 695 L CB -0.432 41.675 42.059 0.080 0.000 0.898 695 L HN 0.155 nan 8.230 nan 0.000 0.433 696 T N -0.618 113.949 114.554 0.021 0.000 2.653 696 T HA -0.338 4.012 4.350 -0.000 0.000 0.268 696 T C 1.716 176.409 174.700 -0.011 0.000 1.035 696 T CA 2.017 64.119 62.100 0.004 0.000 1.154 696 T CB -0.221 68.593 68.868 -0.090 0.000 0.862 696 T HN 0.309 nan 8.240 nan 0.000 0.441 697 Q N 0.917 120.700 119.800 -0.029 0.000 2.124 697 Q HA 0.083 4.422 4.340 -0.000 0.000 0.202 697 Q C 2.263 178.260 176.000 -0.006 0.000 0.977 697 Q CA 1.693 57.483 55.803 -0.023 0.000 0.850 697 Q CB -0.693 28.028 28.738 -0.028 0.000 0.901 697 Q HN 0.533 nan 8.270 nan 0.000 0.429 698 A N 0.760 123.582 122.820 0.004 0.000 1.969 698 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 698 A C 2.096 179.692 177.584 0.019 0.000 1.169 698 A CA 1.598 53.643 52.037 0.013 0.000 0.635 698 A CB -0.663 18.349 19.000 0.020 0.000 0.810 698 A HN 0.467 nan 8.150 nan 0.000 0.445 699 R N -0.095 120.420 120.500 0.025 0.000 2.115 699 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 699 R C 1.362 177.674 176.300 0.019 0.000 1.100 699 R CA 1.730 57.849 56.100 0.033 0.000 0.980 699 R CB -0.515 29.812 30.300 0.044 0.000 0.875 699 R HN 0.552 nan 8.270 nan 0.000 0.445 700 N N 0.450 119.155 118.700 0.009 0.000 2.331 700 N HA -0.159 4.581 4.740 -0.000 0.000 0.180 700 N C 1.691 177.201 175.510 0.000 0.000 1.019 700 N CA 1.068 54.118 53.050 0.001 0.000 0.881 700 N CB 0.057 38.539 38.487 -0.009 0.000 0.972 700 N HN 0.378 nan 8.380 nan 0.000 0.435 701 Q N 0.264 120.065 119.800 0.001 0.000 2.354 701 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 701 Q C 1.876 177.875 176.000 -0.003 0.000 0.933 701 Q CA 0.323 56.127 55.803 0.001 0.000 0.901 701 Q CB 0.266 29.005 28.738 0.002 0.000 1.007 701 Q HN 0.432 nan 8.270 nan 0.000 0.495 702 L N -0.184 121.036 121.223 -0.006 0.000 2.049 702 L HA -0.037 4.303 4.340 -0.000 0.000 0.203 702 L C 1.908 178.755 176.870 -0.038 0.000 1.074 702 L CA 0.892 55.715 54.840 -0.029 0.000 0.749 702 L CB -0.110 41.938 42.059 -0.019 0.000 0.907 702 L HN 0.244 nan 8.230 nan 0.000 0.439 703 L N 0.187 121.401 121.223 -0.015 0.000 2.191 703 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 703 L C 2.764 179.625 176.870 -0.015 0.000 1.103 703 L CA 1.010 55.843 54.840 -0.012 0.000 0.769 703 L CB -0.848 41.214 42.059 0.005 0.000 0.908 703 L HN 0.403 nan 8.230 nan 0.000 0.438 704 A N -0.456 122.359 122.820 -0.008 0.000 1.854 704 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 704 A C 2.248 179.835 177.584 0.004 0.000 1.192 704 A CA 1.152 53.188 52.037 -0.001 0.000 0.611 704 A CB -0.304 18.699 19.000 0.004 0.000 0.832 704 A HN 0.275 nan 8.150 nan 0.000 0.442 705 E N -0.003 120.202 120.200 0.008 0.000 2.204 705 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 705 E C 2.230 178.819 176.600 -0.018 0.000 0.989 705 E CA 1.084 57.514 56.400 0.050 0.000 0.824 705 E CB -0.384 29.352 29.700 0.059 0.000 0.756 705 E HN 0.565 nan 8.360 nan 0.000 0.477 706 A N 1.086 123.847 122.820 -0.098 0.000 1.897 706 A HA 0.041 4.361 4.320 -0.000 0.000 0.215 706 A C 2.280 179.766 177.584 -0.163 0.000 1.181 706 A CA 1.541 53.464 52.037 -0.191 0.000 0.620 706 A CB -0.254 18.666 19.000 -0.132 0.000 0.821 706 A HN 0.227 nan 8.150 nan 0.000 0.443 707 A N -0.952 121.822 122.820 -0.077 0.000 2.169 707 A HA 0.066 4.386 4.320 -0.000 0.000 0.212 707 A C 1.992 179.565 177.584 -0.018 0.000 1.153 707 A CA 1.251 53.260 52.037 -0.047 0.000 0.756 707 A CB -0.247 18.739 19.000 -0.024 0.000 0.813 707 A HN 0.410 nan 8.150 nan 0.000 0.471 708 K N 0.282 120.687 120.400 0.008 0.000 2.186 708 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 708 K C 0.020 176.699 176.600 0.131 0.000 1.052 708 K CA 1.119 57.448 56.287 0.070 0.000 0.965 708 K CB -0.025 32.537 32.500 0.103 0.000 0.746 708 K HN 0.782 nan 8.250 nan 0.000 0.457 709 H N -0.355 118.704 119.070 -0.017 0.000 2.538 709 H HA 0.395 4.951 4.556 -0.000 0.000 0.239 709 H C -2.927 172.391 175.328 -0.017 0.000 1.401 709 H CA -2.011 54.027 56.048 -0.016 0.000 1.499 709 H CB 0.464 30.215 29.762 -0.018 0.000 1.624 709 H HN -0.044 nan 8.280 nan 0.000 0.524 713 L N 0.409 121.618 121.223 -0.022 0.000 2.613 713 L HA 0.708 5.048 4.340 -0.000 0.000 0.200 713 L C 0.694 177.545 176.870 -0.032 0.000 1.467 713 L CA 0.693 55.513 54.840 -0.033 0.000 2.933 713 L CB 0.145 42.187 42.059 -0.028 0.000 2.750 713 L HN 0.448 nan 8.230 nan 0.000 0.990 714 T N -2.867 111.673 114.554 -0.024 0.000 2.932 714 T HA 0.304 4.654 4.350 -0.000 0.000 0.309 714 T C -0.954 173.729 174.700 -0.028 0.000 1.793 714 T CA -0.692 61.403 62.100 -0.008 0.000 1.013 714 T CB -0.215 68.657 68.868 0.006 0.000 2.012 714 T HN 0.538 nan 8.240 nan 0.000 0.541 715 S N -0.167 115.508 115.700 -0.040 0.000 2.571 715 S HA 0.625 5.094 4.470 -0.000 0.000 0.238 715 S C -0.556 173.994 174.600 -0.083 0.000 1.153 715 S CA -0.151 58.011 58.200 -0.063 0.000 1.141 715 S CB 0.462 63.616 63.200 -0.078 0.000 1.133 715 S HN 1.958 nan 8.310 nan 0.000 0.464 716 V N 1.428 121.314 119.914 -0.047 0.000 2.555 716 V HA 0.929 5.049 4.120 -0.000 0.000 0.302 716 V C -0.512 175.569 176.094 -0.022 0.000 1.038 716 V CA -0.733 61.549 62.300 -0.031 0.000 0.887 716 V CB 1.665 33.505 31.823 0.027 0.000 0.991 716 V HN 0.816 nan 8.190 nan 0.000 0.434 717 R N 3.223 123.711 120.500 -0.019 0.000 2.710 717 R HA 0.650 4.990 4.340 -0.000 0.000 0.270 717 R C -3.056 173.255 176.300 0.020 0.000 1.021 717 R CA -1.852 54.249 56.100 0.001 0.000 0.889 717 R CB 2.537 32.835 30.300 -0.004 0.000 1.243 717 R HN 0.600 nan 8.270 nan 0.000 0.464 718 P HA 0.124 nan 4.420 nan 0.000 0.274 718 P C -0.054 177.272 177.300 0.043 0.000 1.260 718 P CA -0.111 63.014 63.100 0.042 0.000 0.793 718 P CB 0.965 32.692 31.700 0.044 0.000 1.048 719 N N -0.725 118.003 118.700 0.047 0.000 2.436 719 N HA 0.106 4.846 4.740 -0.000 0.000 0.178 719 N C 0.482 176.029 175.510 0.063 0.000 1.026 719 N CA 1.140 54.220 53.050 0.050 0.000 0.880 719 N CB 0.221 38.735 38.487 0.045 0.000 1.061 719 N HN 0.644 nan 8.380 nan 0.000 0.434 720 G N 0.079 108.915 108.800 0.060 0.000 3.813 720 G HA2 0.190 4.150 3.960 -0.000 0.000 0.234 720 G HA3 0.190 4.150 3.960 -0.000 0.000 0.234 720 G C -1.190 173.744 174.900 0.057 0.000 3.831 720 G CA -0.447 44.691 45.100 0.064 0.000 0.585 720 G HN 0.098 nan 8.290 nan 0.000 0.267 721 L N 0.452 121.709 121.223 0.056 0.000 3.100 721 L HA 0.442 4.782 4.340 -0.000 0.000 0.259 721 L C 1.566 178.477 176.870 0.068 0.000 1.316 721 L CA -0.254 54.621 54.840 0.059 0.000 0.992 721 L CB 0.657 42.754 42.059 0.064 0.000 1.390 721 L HN 0.380 nan 8.230 nan 0.000 0.550 722 E N 1.043 121.281 120.200 0.063 0.000 2.217 722 E HA -0.341 4.009 4.350 -0.000 0.000 0.219 722 E C 0.087 176.725 176.600 0.064 0.000 1.070 722 E CA 2.000 58.437 56.400 0.061 0.000 0.889 722 E CB 0.017 29.755 29.700 0.063 0.000 0.768 722 E HN 0.642 nan 8.360 nan 0.000 0.465 723 D N -0.639 119.814 120.400 0.088 0.000 3.114 723 D HA -0.110 4.530 4.640 -0.000 0.000 0.253 723 D C -0.993 175.396 176.300 0.148 0.000 1.046 723 D CA 0.910 54.973 54.000 0.105 0.000 0.897 723 D CB -1.030 39.794 40.800 0.039 0.000 1.018 723 D HN 0.272 nan 8.370 nan 0.000 0.425 724 T N -0.452 114.210 114.554 0.181 0.000 2.918 724 T HA 0.805 5.155 4.350 -0.000 0.000 0.283 724 T C -2.163 172.716 174.700 0.299 0.000 1.001 724 T CA -1.388 60.851 62.100 0.231 0.000 1.041 724 T CB 2.034 71.004 68.868 0.169 0.000 1.028 724 T HN 0.054 nan 8.240 nan 0.000 0.511 725 P HA 0.305 nan 4.420 nan 0.000 0.275 725 P C -1.147 176.302 177.300 0.249 0.000 1.266 725 P CA -0.534 62.733 63.100 0.279 0.000 0.793 725 P CB 0.488 32.334 31.700 0.242 0.000 1.074 726 Q N -0.589 119.313 119.800 0.171 0.000 2.309 726 Q HA 0.384 4.724 4.340 -0.000 0.000 0.273 726 Q C -1.390 174.488 176.000 -0.203 0.000 1.040 726 Q CA -0.593 55.216 55.803 0.010 0.000 0.834 726 Q CB 1.856 30.600 28.738 0.011 0.000 1.345 726 Q HN 0.310 nan 8.270 nan 0.000 0.414 727 F N 3.016 122.629 119.950 -0.563 0.000 2.509 727 F HA 0.221 4.747 4.527 -0.000 0.000 0.350 727 F C 0.075 175.593 175.800 -0.470 0.000 1.220 727 F CA -0.523 56.983 58.000 -0.823 0.000 1.151 727 F CB 0.182 38.629 39.000 -0.922 0.000 1.379 727 F HN 0.283 nan 8.300 nan 0.000 0.610 728 K N 6.293 126.299 120.400 -0.657 0.000 2.379 728 K HA 0.316 4.636 4.320 -0.000 0.000 0.284 728 K C -1.008 175.247 176.600 -0.575 0.000 1.044 728 K CA 0.136 56.150 56.287 -0.455 0.000 0.974 728 K CB 0.107 32.435 32.500 -0.287 0.000 0.962 728 K HN 0.630 nan 8.250 nan 0.000 0.474 729 I N 4.322 124.685 120.570 -0.345 0.000 2.359 729 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 729 I C -0.714 175.331 176.117 -0.120 0.000 1.018 729 I CA -0.952 60.212 61.300 -0.226 0.000 1.173 729 I CB 1.482 39.428 38.000 -0.090 0.000 1.326 729 I HN 0.597 nan 8.210 nan 0.000 0.462 730 D N 7.293 127.632 120.400 -0.102 0.000 2.295 730 D HA 0.358 4.998 4.640 -0.000 0.000 0.248 730 D C -0.120 176.167 176.300 -0.021 0.000 1.154 730 D CA -0.067 53.897 54.000 -0.061 0.000 0.857 730 D CB 1.517 42.282 40.800 -0.058 0.000 1.117 730 D HN 0.293 nan 8.370 nan 0.000 0.468 731 I N 2.262 122.809 120.570 -0.039 0.000 2.306 731 I HA 0.099 4.269 4.170 -0.000 0.000 0.288 731 I C 0.106 176.193 176.117 -0.051 0.000 1.036 731 I CA -0.605 60.662 61.300 -0.055 0.000 1.221 731 I CB 0.931 38.839 38.000 -0.154 0.000 1.385 731 I HN 0.315 nan 8.210 nan 0.000 0.472 732 D N 5.989 126.387 120.400 -0.005 0.000 2.363 732 D HA -0.016 4.624 4.640 -0.000 0.000 0.263 732 D C 1.225 177.508 176.300 -0.028 0.000 1.258 732 D CA 0.243 54.242 54.000 -0.003 0.000 0.907 732 D CB 0.976 41.793 40.800 0.029 0.000 1.107 732 D HN 0.361 nan 8.370 nan 0.000 0.495 733 Q N 2.984 122.758 119.800 -0.043 0.000 2.123 733 Q HA -0.148 4.192 4.340 -0.000 0.000 0.199 733 Q C 1.500 177.477 176.000 -0.038 0.000 0.966 733 Q CA 1.132 56.898 55.803 -0.060 0.000 0.845 733 Q CB 0.070 28.775 28.738 -0.054 0.000 0.907 733 Q HN 0.735 nan 8.270 nan 0.000 0.439 734 E N 0.834 121.024 120.200 -0.016 0.000 2.051 734 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 734 E C 1.999 178.605 176.600 0.010 0.000 0.991 734 E CA 0.694 57.092 56.400 -0.004 0.000 0.799 734 E CB -0.202 29.499 29.700 0.001 0.000 0.748 734 E HN 0.143 nan 8.360 nan 0.000 0.449 735 K N 0.882 121.298 120.400 0.027 0.000 2.020 735 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 735 K C 2.401 179.049 176.600 0.079 0.000 1.050 735 K CA 1.319 57.642 56.287 0.061 0.000 0.929 735 K CB -0.396 32.161 32.500 0.095 0.000 0.714 735 K HN 0.169 nan 8.250 nan 0.000 0.443 736 A N 2.079 124.928 122.820 0.049 0.000 1.869 736 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 736 A C 2.080 179.673 177.584 0.014 0.000 1.203 736 A CA 2.121 54.160 52.037 0.004 0.000 0.638 736 A CB -0.783 18.101 19.000 -0.194 0.000 0.831 736 A HN 0.506 nan 8.150 nan 0.000 0.450 737 Q N -0.634 119.160 119.800 -0.010 0.000 2.297 737 Q HA 0.128 4.467 4.340 -0.000 0.000 0.204 737 Q C 2.139 178.148 176.000 0.015 0.000 0.962 737 Q CA 0.933 56.733 55.803 -0.004 0.000 0.879 737 Q CB -0.403 28.326 28.738 -0.015 0.000 0.947 737 Q HN 0.641 nan 8.270 nan 0.000 0.462 738 A N 1.899 124.734 122.820 0.025 0.000 1.930 738 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 738 A C 2.118 179.726 177.584 0.039 0.000 1.175 738 A CA 0.887 52.941 52.037 0.029 0.000 0.627 738 A CB -0.488 18.530 19.000 0.029 0.000 0.815 738 A HN 0.323 nan 8.150 nan 0.000 0.443 739 L N -1.631 119.627 121.223 0.059 0.000 2.313 739 L HA 0.201 4.541 4.340 -0.000 0.000 0.214 739 L C 1.419 178.328 176.870 0.065 0.000 1.119 739 L CA 0.610 55.492 54.840 0.070 0.000 0.809 739 L CB -0.782 41.342 42.059 0.107 0.000 0.933 739 L HN 0.575 nan 8.230 nan 0.000 0.449 740 G N 1.309 110.141 108.800 0.053 0.000 2.392 740 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 740 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 740 G C -0.222 174.703 174.900 0.042 0.000 1.097 740 G CA -0.119 45.005 45.100 0.040 0.000 0.840 740 G HN 0.162 nan 8.290 nan 0.000 0.492 741 V N -2.319 117.614 119.914 0.032 0.000 2.680 741 V HA 0.896 5.016 4.120 -0.000 0.000 0.309 741 V C 0.672 176.744 176.094 -0.037 0.000 1.052 741 V CA -0.711 61.596 62.300 0.013 0.000 0.908 741 V CB 1.783 33.621 31.823 0.025 0.000 1.001 741 V HN 0.549 nan 8.190 nan 0.000 0.431 742 S N 1.329 117.009 115.700 -0.033 0.000 2.565 742 S HA 0.497 4.967 4.470 -0.000 0.000 0.274 742 S C 0.960 175.505 174.600 -0.091 0.000 1.309 742 S CA -0.460 57.712 58.200 -0.048 0.000 1.043 742 S CB 0.692 63.878 63.200 -0.023 0.000 0.939 742 S HN 0.629 nan 8.310 nan 0.000 0.504 743 I N 4.043 124.552 120.570 -0.101 0.000 2.676 743 I HA -0.051 4.119 4.170 -0.000 0.000 0.259 743 I C 1.874 177.937 176.117 -0.091 0.000 1.194 743 I CA 0.567 61.787 61.300 -0.134 0.000 1.473 743 I CB -0.428 37.500 38.000 -0.120 0.000 1.096 743 I HN 0.499 nan 8.210 nan 0.000 0.443 744 N N 1.141 119.809 118.700 -0.054 0.000 2.025 744 N HA -0.196 4.544 4.740 -0.000 0.000 0.194 744 N C 1.540 177.038 175.510 -0.020 0.000 1.044 744 N CA 1.674 54.707 53.050 -0.028 0.000 0.851 744 N CB -0.432 38.047 38.487 -0.014 0.000 1.036 744 N HN 0.321 nan 8.380 nan 0.000 0.422 745 D N 0.405 120.795 120.400 -0.016 0.000 2.144 745 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 745 D C 2.036 178.343 176.300 0.012 0.000 0.984 745 D CA 0.673 54.680 54.000 0.011 0.000 0.834 745 D CB -0.177 40.639 40.800 0.026 0.000 0.955 745 D HN 0.315 nan 8.370 nan 0.000 0.465 746 I N 1.347 121.885 120.570 -0.054 0.000 2.286 746 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 746 I C 1.935 178.047 176.117 -0.008 0.000 1.115 746 I CA 0.762 62.004 61.300 -0.097 0.000 1.392 746 I CB -0.169 37.605 38.000 -0.376 0.000 1.065 746 I HN -0.073 nan 8.210 nan 0.000 0.418 747 N N -0.139 118.544 118.700 -0.029 0.000 2.270 747 N HA -0.134 4.606 4.740 -0.000 0.000 0.181 747 N C 1.856 177.379 175.510 0.022 0.000 1.016 747 N CA 1.603 54.651 53.050 -0.003 0.000 0.870 747 N CB -0.412 38.063 38.487 -0.019 0.000 0.979 747 N HN 0.270 nan 8.380 nan 0.000 0.431 748 T N -0.361 114.209 114.554 0.025 0.000 3.129 748 T HA 0.079 4.429 4.350 -0.000 0.000 0.251 748 T C 1.207 175.922 174.700 0.025 0.000 1.117 748 T CA 0.649 62.766 62.100 0.027 0.000 1.034 748 T CB -0.139 68.746 68.868 0.028 0.000 0.968 748 T HN 0.206 nan 8.240 nan 0.000 0.526 749 T N 1.209 115.794 114.554 0.053 0.000 2.837 749 T HA 0.117 4.467 4.350 -0.000 0.000 0.248 749 T C 1.692 176.343 174.700 -0.080 0.000 1.033 749 T CA 0.580 62.701 62.100 0.034 0.000 1.150 749 T CB -0.538 68.463 68.868 0.221 0.000 0.865 749 T HN 0.255 nan 8.240 nan 0.000 0.425 750 L N 1.826 123.071 121.223 0.037 0.000 2.201 750 L HA 0.235 4.575 4.340 -0.000 0.000 0.212 750 L C 2.390 179.262 176.870 0.004 0.000 1.105 750 L CA 1.607 56.432 54.840 -0.026 0.000 0.775 750 L CB -0.875 41.185 42.059 0.002 0.000 0.913 750 L HN 0.370 nan 8.230 nan 0.000 0.440 751 G N -1.508 107.292 108.800 -0.000 0.000 2.411 751 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.213 751 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.213 751 G C 1.356 176.265 174.900 0.015 0.000 1.166 751 G CA 0.399 45.503 45.100 0.006 0.000 0.802 751 G HN 0.496 nan 8.290 nan 0.000 0.533 752 A N 0.002 122.815 122.820 -0.012 0.000 2.278 752 A HA 0.727 5.046 4.320 -0.000 0.000 0.212 752 A C 2.030 179.567 177.584 -0.078 0.000 1.213 752 A CA 1.307 53.333 52.037 -0.018 0.000 0.840 752 A CB -0.107 18.887 19.000 -0.010 0.000 0.866 752 A HN 0.540 nan 8.150 nan 0.000 0.489 753 A N -1.341 121.381 122.820 -0.163 0.000 2.011 753 A HA 0.287 4.607 4.320 -0.000 0.000 0.204 753 A C 1.585 179.049 177.584 -0.200 0.000 1.520 753 A CA 0.446 52.273 52.037 -0.349 0.000 0.819 753 A CB -0.580 17.743 19.000 -1.127 0.000 1.087 753 A HN 0.550 nan 8.150 nan 0.000 0.526 754 W N 0.221 121.390 121.300 -0.219 0.000 2.576 754 W HA 0.252 4.912 4.660 -0.000 0.000 0.270 754 W C 2.202 178.692 176.519 -0.049 0.000 1.255 754 W CA 1.087 58.368 57.345 -0.107 0.000 1.314 754 W CB -0.103 29.265 29.460 -0.153 0.000 1.101 754 W HN 0.405 nan 8.180 nan 0.000 0.595 755 G N -1.170 107.719 108.800 0.149 0.000 2.742 755 G HA2 0.461 4.421 3.960 -0.000 0.000 0.204 755 G HA3 0.461 4.421 3.960 -0.000 0.000 0.204 755 G C 0.474 175.419 174.900 0.075 0.000 1.126 755 G CA 0.518 45.673 45.100 0.091 0.000 0.829 755 G HN 0.380 nan 8.290 nan 0.000 0.574 756 G N -1.417 107.429 108.800 0.077 0.000 2.528 756 G HA2 0.425 4.385 3.960 -0.000 0.000 0.681 756 G HA3 0.425 4.385 3.960 -0.000 0.000 0.681 756 G C -0.839 174.162 174.900 0.168 0.000 1.340 756 G CA 0.234 45.404 45.100 0.117 0.000 0.855 756 G HN 1.202 nan 8.290 nan 0.000 0.649 757 S N -0.100 115.735 115.700 0.225 0.000 2.668 757 S HA 0.555 5.025 4.470 -0.000 0.000 0.277 757 S C -0.827 173.837 174.600 0.108 0.000 1.170 757 S CA -0.524 57.781 58.200 0.176 0.000 0.994 757 S CB 1.023 64.272 63.200 0.082 0.000 1.051 757 S HN 1.613 nan 8.310 nan 0.000 0.484 758 Y N 6.182 126.445 120.300 -0.062 0.000 2.674 758 Y HA 0.287 4.836 4.550 -0.000 0.000 0.354 758 Y C 0.905 176.676 175.900 -0.215 0.000 1.089 758 Y CA 0.423 58.307 58.100 -0.361 0.000 1.444 758 Y CB 0.182 38.507 38.460 -0.226 0.000 1.187 758 Y HN 0.530 nan 8.280 nan 0.000 0.523 759 V N 4.680 124.316 119.914 -0.462 0.000 2.326 759 V HA -0.003 4.117 4.120 -0.000 0.000 0.238 759 V C 0.402 176.308 176.094 -0.312 0.000 1.038 759 V CA 1.149 63.289 62.300 -0.268 0.000 1.032 759 V CB -0.492 31.205 31.823 -0.210 0.000 0.675 759 V HN 0.760 nan 8.190 nan 0.000 0.467 760 N N -1.818 116.588 118.700 -0.490 0.000 3.116 760 N HA 0.264 5.004 4.740 -0.000 0.000 0.244 760 N C -2.175 173.137 175.510 -0.330 0.000 1.485 760 N CA -0.598 52.269 53.050 -0.306 0.000 0.884 760 N CB 1.765 40.194 38.487 -0.097 0.000 1.415 760 N HN 0.070 nan 8.380 nan 0.000 0.524 761 D N 0.467 120.810 120.400 -0.096 0.000 2.181 761 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 761 D C -0.778 175.639 176.300 0.195 0.000 1.020 761 D CA 0.028 54.048 54.000 0.033 0.000 0.891 761 D CB 1.157 41.990 40.800 0.055 0.000 1.187 761 D HN 0.417 nan 8.370 nan 0.000 0.443 762 F N -0.488 119.471 119.950 0.015 0.000 2.654 762 F HA 0.682 5.209 4.527 -0.000 0.000 0.334 762 F C -1.217 174.622 175.800 0.065 0.000 1.078 762 F CA -1.216 56.840 58.000 0.094 0.000 0.986 762 F CB 0.823 39.964 39.000 0.234 0.000 1.362 762 F HN 0.033 nan 8.300 nan 0.000 0.498 763 I N 1.653 122.038 120.570 -0.308 0.000 2.392 763 I HA 0.323 4.493 4.170 -0.000 0.000 0.295 763 I C -1.217 174.559 176.117 -0.569 0.000 0.985 763 I CA 0.039 61.096 61.300 -0.406 0.000 1.221 763 I CB 1.430 39.359 38.000 -0.119 0.000 1.366 763 I HN 0.647 nan 8.210 nan 0.000 0.467 764 D N 5.462 125.550 120.400 -0.520 0.000 2.402 764 D HA 0.389 5.029 4.640 -0.000 0.000 0.252 764 D C -0.187 176.056 176.300 -0.096 0.000 1.294 764 D CA -0.440 53.401 54.000 -0.266 0.000 0.948 764 D CB 0.496 41.120 40.800 -0.294 0.000 1.202 764 D HN 0.419 nan 8.370 nan 0.000 0.561 765 R N 2.967 123.450 120.500 -0.029 0.000 3.422 765 R HA -0.225 4.115 4.340 -0.000 0.000 0.267 765 R C 0.986 177.280 176.300 -0.011 0.000 1.074 765 R CA 0.957 57.057 56.100 0.001 0.000 0.718 765 R CB -1.432 28.887 30.300 0.032 0.000 1.157 765 R HN 0.936 nan 8.270 nan 0.000 0.440 766 G N -0.514 108.266 108.800 -0.034 0.000 3.400 766 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.209 766 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.209 766 G C 0.080 174.948 174.900 -0.053 0.000 1.411 766 G CA 0.153 45.233 45.100 -0.033 0.000 0.917 766 G HN 0.365 nan 8.290 nan 0.000 0.570 767 R N 0.949 121.418 120.500 -0.052 0.000 2.347 767 R HA 0.454 4.794 4.340 -0.000 0.000 0.304 767 R C 0.378 176.605 176.300 -0.122 0.000 1.072 767 R CA 0.179 56.244 56.100 -0.058 0.000 0.980 767 R CB 1.769 32.054 30.300 -0.025 0.000 0.986 767 R HN 0.452 nan 8.270 nan 0.000 0.448 768 V N 5.117 124.967 119.914 -0.107 0.000 2.529 768 V HA 0.055 4.175 4.120 -0.000 0.000 0.292 768 V C -0.087 175.940 176.094 -0.113 0.000 1.028 768 V CA 0.606 62.819 62.300 -0.144 0.000 1.074 768 V CB 0.152 31.934 31.823 -0.067 0.000 0.958 768 V HN 0.709 nan 8.190 nan 0.000 0.481 769 K N 5.365 125.646 120.400 -0.199 0.000 2.270 769 K HA 0.641 4.961 4.320 -0.000 0.000 0.248 769 K C -0.947 175.726 176.600 0.122 0.000 1.076 769 K CA -1.132 55.147 56.287 -0.014 0.000 0.957 769 K CB 1.335 33.850 32.500 0.027 0.000 1.400 769 K HN 0.595 nan 8.250 nan 0.000 0.573 770 K N 0.523 121.067 120.400 0.239 0.000 2.258 770 K HA 0.560 4.880 4.320 -0.000 0.000 0.236 770 K C -0.927 175.700 176.600 0.045 0.000 1.008 770 K CA -0.967 55.376 56.287 0.093 0.000 0.869 770 K CB 1.777 34.347 32.500 0.116 0.000 1.171 770 K HN 0.118 nan 8.250 nan 0.000 0.447 771 V N 2.170 121.885 119.914 -0.331 0.000 2.409 771 V HA 0.303 4.423 4.120 -0.000 0.000 0.290 771 V C -1.405 174.375 176.094 -0.523 0.000 1.017 771 V CA -0.853 61.201 62.300 -0.410 0.000 0.841 771 V CB 0.260 31.856 31.823 -0.378 0.000 1.003 771 V HN 0.600 nan 8.190 nan 0.000 0.426 772 Y N 2.762 122.883 120.300 -0.297 0.000 2.496 772 Y HA 0.777 5.327 4.550 -0.000 0.000 0.331 772 Y C 0.058 175.779 175.900 -0.299 0.000 1.140 772 Y CA -0.807 57.150 58.100 -0.239 0.000 1.166 772 Y CB 2.240 40.595 38.460 -0.175 0.000 1.249 772 Y HN 0.405 nan 8.280 nan 0.000 0.479 773 V N 4.057 123.939 119.914 -0.055 0.000 2.686 773 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 773 V C -0.784 175.259 176.094 -0.084 0.000 1.065 773 V CA -0.335 61.886 62.300 -0.131 0.000 0.894 773 V CB 1.777 33.543 31.823 -0.095 0.000 1.004 773 V HN 1.002 nan 8.190 nan 0.000 0.424 774 M N 2.930 122.459 119.600 -0.118 0.000 1.897 774 M HA 0.464 4.944 4.480 -0.000 0.000 0.193 774 M C -0.781 175.576 176.300 0.095 0.000 2.097 774 M CA 0.536 55.824 55.300 -0.021 0.000 0.920 774 M CB 1.718 34.315 32.600 -0.006 0.000 1.698 774 M HN 0.821 nan 8.290 nan 0.000 0.639 775 S N 0.509 116.361 115.700 0.254 0.000 2.798 775 S HA 0.160 4.630 4.470 -0.000 0.000 0.291 775 S C -1.479 173.393 174.600 0.453 0.000 0.894 775 S CA -0.996 57.412 58.200 0.347 0.000 0.838 775 S CB 0.384 63.805 63.200 0.369 0.000 1.047 775 S HN 0.429 nan 8.310 nan 0.000 0.482 776 E N 1.225 121.635 120.200 0.351 0.000 2.467 776 E HA 0.257 4.607 4.350 -0.000 0.000 0.264 776 E C 1.679 178.322 176.600 0.072 0.000 1.020 776 E CA 0.291 56.780 56.400 0.149 0.000 0.945 776 E CB 0.399 30.208 29.700 0.181 0.000 0.942 776 E HN 0.827 nan 8.360 nan 0.000 0.449 777 A N 4.441 127.174 122.820 -0.145 0.000 1.892 777 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 777 A C 1.916 179.410 177.584 -0.150 0.000 1.188 777 A CA 2.187 54.132 52.037 -0.153 0.000 0.631 777 A CB -0.567 18.295 19.000 -0.230 0.000 0.822 777 A HN 0.743 nan 8.150 nan 0.000 0.447 778 K N -1.573 118.697 120.400 -0.217 0.000 2.442 778 K HA -0.135 4.185 4.320 -0.000 0.000 0.198 778 K C 0.403 176.705 176.600 -0.496 0.000 1.044 778 K CA 1.399 57.465 56.287 -0.367 0.000 0.948 778 K CB -0.392 31.818 32.500 -0.483 0.000 0.762 778 K HN 0.582 nan 8.250 nan 0.000 0.472 779 Y N 1.739 121.919 120.300 -0.201 0.000 2.625 779 Y HA 0.225 4.775 4.550 -0.000 0.000 0.285 779 Y C 0.242 175.905 175.900 -0.394 0.000 1.168 779 Y CA -0.617 57.324 58.100 -0.266 0.000 1.250 779 Y CB 0.458 38.720 38.460 -0.331 0.000 1.130 779 Y HN 0.168 nan 8.280 nan 0.000 0.526 780 R N -2.288 118.006 120.500 -0.343 0.000 2.430 780 R HA 0.232 4.572 4.340 -0.000 0.000 0.325 780 R C -0.294 175.906 176.300 -0.166 0.000 1.048 780 R CA -0.012 55.642 56.100 -0.743 0.000 1.183 780 R CB -0.711 28.986 30.300 -1.006 0.000 1.406 780 R HN 0.050 nan 8.270 nan 0.000 0.694 781 M N 0.310 119.874 119.600 -0.059 0.000 2.657 781 M HA 0.349 4.829 4.480 -0.000 0.000 0.262 781 M C 0.316 176.654 176.300 0.063 0.000 1.213 781 M CA 0.703 56.005 55.300 0.003 0.000 1.182 781 M CB -0.190 32.377 32.600 -0.056 0.000 1.303 781 M HN 0.257 nan 8.290 nan 0.000 0.501 782 L N -0.938 120.330 121.223 0.074 0.000 2.277 782 L HA 0.438 4.778 4.340 -0.000 0.000 0.254 782 L C -1.707 175.172 176.870 0.015 0.000 1.044 782 L CA -1.682 53.187 54.840 0.047 0.000 0.842 782 L CB 0.656 42.734 42.059 0.032 0.000 1.422 782 L HN -0.220 nan 8.230 nan 0.000 0.422 783 P HA -0.048 nan 4.420 nan 0.000 0.236 783 P C 0.261 177.526 177.300 -0.059 0.000 1.177 783 P CA 0.900 63.751 63.100 -0.415 0.000 0.773 783 P CB 0.312 31.648 31.700 -0.607 0.000 0.878 784 D N 0.373 120.798 120.400 0.040 0.000 2.269 784 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 784 D C 0.882 177.241 176.300 0.098 0.000 0.963 784 D CA 0.809 54.854 54.000 0.076 0.000 0.864 784 D CB -0.083 40.752 40.800 0.058 0.000 0.936 784 D HN 0.238 nan 8.370 nan 0.000 0.505 785 D N 0.736 121.223 120.400 0.146 0.000 2.363 785 D HA -0.010 4.630 4.640 -0.000 0.000 0.226 785 D C 2.075 178.604 176.300 0.381 0.000 1.020 785 D CA -0.023 54.087 54.000 0.183 0.000 0.892 785 D CB 0.464 41.334 40.800 0.117 0.000 0.900 785 D HN 0.285 nan 8.370 nan 0.000 0.531 786 I N 0.639 121.430 120.570 0.369 0.000 2.353 786 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 786 I C 2.460 178.691 176.117 0.191 0.000 1.119 786 I CA 0.907 62.394 61.300 0.313 0.000 1.417 786 I CB -0.990 37.026 38.000 0.026 0.000 1.078 786 I HN -0.013 nan 8.210 nan 0.000 0.421 787 G N 0.617 109.491 108.800 0.122 0.000 2.509 787 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 787 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 787 G C 1.178 175.948 174.900 -0.217 0.000 1.124 787 G CA 0.276 45.384 45.100 0.013 0.000 0.776 787 G HN 0.311 nan 8.290 nan 0.000 0.547 788 D N 0.141 120.442 120.400 -0.164 0.000 2.178 788 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 788 D C 0.328 176.291 176.300 -0.563 0.000 0.980 788 D CA 0.436 54.232 54.000 -0.340 0.000 0.842 788 D CB -0.078 40.536 40.800 -0.311 0.000 0.948 788 D HN 0.455 nan 8.370 nan 0.000 0.472 789 W N 0.803 121.959 121.300 -0.241 0.000 2.388 789 W HA 0.253 4.913 4.660 -0.000 0.000 0.308 789 W C -0.392 176.065 176.519 -0.103 0.000 1.263 789 W CA -0.634 56.661 57.345 -0.083 0.000 1.286 789 W CB -0.061 29.420 29.460 0.035 0.000 1.294 789 W HN -0.161 nan 8.180 nan 0.000 0.493 790 Y N 2.579 123.105 120.300 0.376 0.000 2.331 790 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 790 Y C 0.283 176.364 175.900 0.303 0.000 0.976 790 Y CA -1.321 56.954 58.100 0.290 0.000 1.137 790 Y CB 0.737 39.292 38.460 0.158 0.000 1.172 790 Y HN 0.011 nan 8.280 nan 0.000 0.478 791 V N 3.571 123.742 119.914 0.427 0.000 2.617 791 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 791 V C 0.125 176.368 176.094 0.248 0.000 1.048 791 V CA -1.244 61.254 62.300 0.330 0.000 0.964 791 V CB 1.470 33.482 31.823 0.316 0.000 1.004 791 V HN 0.720 nan 8.190 nan 0.000 0.466 792 R N 2.743 123.356 120.500 0.189 0.000 2.491 792 R HA 0.562 4.902 4.340 -0.000 0.000 0.283 792 R C -0.225 176.146 176.300 0.117 0.000 1.072 792 R CA 0.239 56.422 56.100 0.137 0.000 1.048 792 R CB 0.631 30.997 30.300 0.110 0.000 0.983 792 R HN 0.924 nan 8.270 nan 0.000 0.450 793 A N 3.753 126.633 122.820 0.100 0.000 2.330 793 A HA 0.571 4.891 4.320 -0.000 0.000 0.327 793 A C 1.120 178.739 177.584 0.058 0.000 1.155 793 A CA -0.194 51.892 52.037 0.082 0.000 0.803 793 A CB 1.254 20.307 19.000 0.088 0.000 1.208 793 A HN 1.083 nan 8.150 nan 0.000 0.477 794 A N 2.335 125.182 122.820 0.045 0.000 1.885 794 A HA -0.320 4.000 4.320 -0.000 0.000 0.260 794 A C 1.155 178.758 177.584 0.032 0.000 2.398 794 A CA 2.743 54.800 52.037 0.033 0.000 0.786 794 A CB -1.337 17.678 19.000 0.026 0.000 0.834 794 A HN 1.190 nan 8.150 nan 0.000 0.548 795 D N -0.611 119.809 120.400 0.033 0.000 3.032 795 D HA 0.388 5.028 4.640 -0.000 0.000 0.241 795 D C 0.880 177.198 176.300 0.030 0.000 1.196 795 D CA 0.323 54.340 54.000 0.028 0.000 0.927 795 D CB -1.539 39.276 40.800 0.026 0.000 1.129 795 D HN 1.042 nan 8.370 nan 0.000 0.458 796 G N 1.533 110.353 108.800 0.033 0.000 2.359 796 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.278 796 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.278 796 G C -0.203 174.716 174.900 0.033 0.000 0.872 796 G CA 0.979 46.100 45.100 0.034 0.000 1.185 796 G HN 0.802 nan 8.290 nan 0.000 0.474 797 Q N -1.808 118.017 119.800 0.041 0.000 2.426 797 Q HA 0.737 5.077 4.340 -0.000 0.000 0.278 797 Q C -0.448 175.586 176.000 0.056 0.000 1.007 797 Q CA -1.308 54.516 55.803 0.035 0.000 0.850 797 Q CB 0.765 29.516 28.738 0.021 0.000 1.427 797 Q HN 0.053 nan 8.270 nan 0.000 0.391 798 M N 1.069 120.697 119.600 0.046 0.000 2.198 798 M HA 0.573 5.053 4.480 -0.000 0.000 0.315 798 M C -0.869 175.501 176.300 0.117 0.000 1.134 798 M CA -0.087 55.268 55.300 0.092 0.000 1.171 798 M CB 1.477 34.097 32.600 0.034 0.000 1.413 798 M HN 0.582 nan 8.290 nan 0.000 0.467 799 V N 2.336 122.376 119.914 0.211 0.000 2.777 799 V HA 0.500 4.620 4.120 -0.000 0.000 0.306 799 V C -2.443 173.792 176.094 0.235 0.000 1.112 799 V CA -1.418 60.985 62.300 0.172 0.000 0.917 799 V CB 2.011 33.914 31.823 0.133 0.000 1.018 799 V HN 0.728 nan 8.190 nan 0.000 0.426 800 P HA 0.286 nan 4.420 nan 0.000 0.274 800 P C 0.598 177.730 177.300 -0.280 0.000 1.246 800 P CA -0.187 62.944 63.100 0.053 0.000 0.795 800 P CB 1.285 33.044 31.700 0.099 0.000 1.006 801 F N 1.148 120.912 119.950 -0.311 0.000 2.084 801 F HA -0.234 4.293 4.527 -0.000 0.000 0.296 801 F C 2.801 178.336 175.800 -0.441 0.000 1.111 801 F CA 2.607 60.397 58.000 -0.350 0.000 1.224 801 F CB -0.647 38.378 39.000 0.042 0.000 0.991 801 F HN 0.323 nan 8.300 nan 0.000 0.471 802 S N 0.510 116.198 115.700 -0.020 0.000 2.413 802 S HA -0.358 4.112 4.470 -0.000 0.000 0.237 802 S C 2.152 176.678 174.600 -0.124 0.000 1.044 802 S CA 1.083 59.271 58.200 -0.020 0.000 1.024 802 S CB -1.328 61.886 63.200 0.023 0.000 0.829 802 S HN 0.406 nan 8.310 nan 0.000 0.475 803 A N 2.581 125.236 122.820 -0.275 0.000 1.849 803 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 803 A C 2.106 179.590 177.584 -0.167 0.000 1.202 803 A CA 1.785 53.678 52.037 -0.240 0.000 0.629 803 A CB -1.295 17.527 19.000 -0.297 0.000 0.834 803 A HN 0.958 nan 8.150 nan 0.000 0.447 804 F N -0.950 118.976 119.950 -0.039 0.000 2.765 804 F HA 0.386 4.913 4.527 -0.000 0.000 0.302 804 F C 1.080 176.842 175.800 -0.062 0.000 1.111 804 F CA 0.153 58.113 58.000 -0.067 0.000 1.359 804 F CB -0.336 38.594 39.000 -0.117 0.000 1.097 804 F HN 0.145 nan 8.300 nan 0.000 0.577 805 S N 0.725 116.537 115.700 0.187 0.000 2.632 805 S HA 0.530 4.999 4.470 -0.000 0.000 0.271 805 S C -0.229 174.438 174.600 0.112 0.000 1.260 805 S CA -0.363 57.968 58.200 0.218 0.000 1.010 805 S CB 1.416 64.786 63.200 0.282 0.000 0.965 805 S HN 0.297 nan 8.310 nan 0.000 0.534 806 S N 1.601 117.346 115.700 0.074 0.000 2.614 806 S HA 0.547 5.017 4.470 -0.000 0.000 0.288 806 S C -0.960 173.605 174.600 -0.058 0.000 1.137 806 S CA -0.582 57.626 58.200 0.014 0.000 0.992 806 S CB 1.206 64.401 63.200 -0.008 0.000 1.026 806 S HN 0.986 nan 8.310 nan 0.000 0.486 807 S N 5.009 120.678 115.700 -0.052 0.000 2.449 807 S HA 0.856 5.326 4.470 -0.000 0.000 0.310 807 S C -0.631 173.857 174.600 -0.187 0.000 1.096 807 S CA -0.710 57.389 58.200 -0.169 0.000 1.095 807 S CB 0.323 63.595 63.200 0.120 0.000 1.007 807 S HN 0.990 nan 8.310 nan 0.000 0.474 808 R N 2.246 122.482 120.500 -0.440 0.000 2.644 808 R HA 0.402 4.742 4.340 -0.000 0.000 0.257 808 R C -1.941 174.175 176.300 -0.305 0.000 1.082 808 R CA -0.946 55.042 56.100 -0.186 0.000 0.927 808 R CB 0.046 30.284 30.300 -0.103 0.000 1.258 808 R HN 0.533 nan 8.270 nan 0.000 0.459 809 W N 1.227 122.408 121.300 -0.198 0.000 2.332 809 W HA 0.575 5.235 4.660 -0.000 0.000 0.351 809 W C 0.364 176.783 176.519 -0.167 0.000 1.195 809 W CA -0.128 57.121 57.345 -0.160 0.000 1.334 809 W CB 0.995 30.399 29.460 -0.093 0.000 1.206 809 W HN 0.567 nan 8.180 nan 0.000 0.637 810 E N -0.455 119.787 120.200 0.069 0.000 2.445 810 E HA 0.226 4.576 4.350 -0.000 0.000 0.279 810 E C -1.914 174.687 176.600 0.002 0.000 1.018 810 E CA -1.036 55.365 56.400 0.001 0.000 0.816 810 E CB 1.971 31.668 29.700 -0.006 0.000 1.356 810 E HN 0.228 nan 8.360 nan 0.000 0.462 811 Y N 0.475 120.824 120.300 0.081 0.000 2.717 811 Y HA 0.448 4.998 4.550 -0.000 0.000 0.329 811 Y C 0.447 176.387 175.900 0.066 0.000 1.017 811 Y CA -0.362 57.784 58.100 0.077 0.000 1.275 811 Y CB 1.231 39.722 38.460 0.051 0.000 1.109 811 Y HN 0.567 nan 8.280 nan 0.000 0.511 812 G N 0.512 109.471 108.800 0.264 0.000 2.795 812 G HA2 0.501 4.461 3.960 -0.000 0.000 0.267 812 G HA3 0.501 4.461 3.960 -0.000 0.000 0.267 812 G C -0.903 174.136 174.900 0.232 0.000 1.362 812 G CA -0.798 44.428 45.100 0.209 0.000 1.048 812 G HN 0.391 nan 8.290 nan 0.000 0.547 813 S N -0.681 115.148 115.700 0.215 0.000 2.521 813 S HA 0.614 5.084 4.470 -0.000 0.000 0.295 813 S C -2.200 172.454 174.600 0.090 0.000 1.098 813 S CA -1.389 56.918 58.200 0.178 0.000 0.999 813 S CB 2.512 65.853 63.200 0.236 0.000 1.034 813 S HN 0.239 nan 8.310 nan 0.000 0.483 814 P HA 0.204 nan 4.420 nan 0.000 0.253 814 P C -0.245 177.075 177.300 0.034 0.000 1.260 814 P CA 0.201 63.335 63.100 0.057 0.000 0.800 814 P CB -0.257 31.484 31.700 0.069 0.000 1.162 815 R N 0.520 121.028 120.500 0.013 0.000 2.603 815 R HA 0.368 4.708 4.340 -0.000 0.000 0.280 815 R C -1.859 174.408 176.300 -0.055 0.000 1.185 815 R CA -0.533 55.565 56.100 -0.003 0.000 1.039 815 R CB 0.383 30.696 30.300 0.022 0.000 1.247 815 R HN -0.137 nan 8.270 nan 0.000 0.413 816 L N 3.863 125.040 121.223 -0.077 0.000 2.301 816 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 816 L C -0.156 176.673 176.870 -0.070 0.000 1.022 816 L CA -0.839 53.916 54.840 -0.143 0.000 0.854 816 L CB 1.570 43.526 42.059 -0.172 0.000 1.226 816 L HN 0.611 nan 8.230 nan 0.000 0.429 817 E N 3.151 123.321 120.200 -0.051 0.000 2.390 817 E HA 0.373 4.723 4.350 -0.000 0.000 0.261 817 E C -0.504 176.097 176.600 0.002 0.000 1.076 817 E CA -0.133 56.264 56.400 -0.004 0.000 0.905 817 E CB 0.778 30.488 29.700 0.017 0.000 0.984 817 E HN 0.398 nan 8.360 nan 0.000 0.427 818 R N 2.483 123.000 120.500 0.028 0.000 2.575 818 R HA 0.163 4.503 4.340 -0.000 0.000 0.292 818 R C -1.511 174.824 176.300 0.058 0.000 1.246 818 R CA -0.621 55.500 56.100 0.034 0.000 0.973 818 R CB 0.875 31.180 30.300 0.008 0.000 1.187 818 R HN 0.542 nan 8.270 nan 0.000 0.478 819 Y N 3.969 124.242 120.300 -0.045 0.000 2.425 819 Y HA 0.127 4.677 4.550 -0.000 0.000 0.347 819 Y C 0.285 176.160 175.900 -0.042 0.000 0.976 819 Y CA -0.058 58.011 58.100 -0.052 0.000 1.190 819 Y CB 0.608 39.008 38.460 -0.100 0.000 1.136 819 Y HN 0.650 nan 8.280 nan 0.000 0.517 820 N N 4.737 123.305 118.700 -0.220 0.000 2.726 820 N HA -0.184 4.556 4.740 -0.000 0.000 0.253 820 N C 0.730 176.216 175.510 -0.040 0.000 1.059 820 N CA 1.192 54.162 53.050 -0.133 0.000 0.701 820 N CB -1.079 37.373 38.487 -0.058 0.000 0.899 820 N HN 1.259 nan 8.380 nan 0.000 0.548 821 G N -1.219 107.556 108.800 -0.043 0.000 2.184 821 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.264 821 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.264 821 G C 0.027 174.924 174.900 -0.006 0.000 0.975 821 G CA 0.914 46.000 45.100 -0.023 0.000 0.642 821 G HN 0.484 nan 8.290 nan 0.000 0.536 822 L N 0.282 121.510 121.223 0.009 0.000 2.393 822 L HA 0.582 4.922 4.340 -0.000 0.000 0.260 822 L C -2.337 174.549 176.870 0.026 0.000 1.002 822 L CA -2.772 52.078 54.840 0.016 0.000 0.818 822 L CB 2.435 44.504 42.059 0.016 0.000 1.369 822 L HN -0.182 nan 8.230 nan 0.000 0.412 823 P HA 0.092 nan 4.420 nan 0.000 0.271 823 P C -0.764 176.547 177.300 0.019 0.000 1.226 823 P CA 0.209 63.319 63.100 0.017 0.000 0.765 823 P CB 1.614 33.326 31.700 0.021 0.000 0.835 824 S N 2.642 118.353 115.700 0.018 0.000 2.704 824 S HA 0.800 5.270 4.470 -0.000 0.000 0.296 824 S C -1.011 173.583 174.600 -0.011 0.000 1.138 824 S CA -0.759 57.438 58.200 -0.005 0.000 0.875 824 S CB 0.901 64.100 63.200 -0.002 0.000 1.151 824 S HN 0.338 nan 8.310 nan 0.000 0.500 825 M N 2.215 121.794 119.600 -0.034 0.000 2.213 825 M HA 0.359 4.839 4.480 -0.000 0.000 0.286 825 M C -0.918 175.361 176.300 -0.035 0.000 1.008 825 M CA -0.395 54.898 55.300 -0.012 0.000 0.937 825 M CB 2.063 34.678 32.600 0.025 0.000 1.600 825 M HN 0.659 nan 8.290 nan 0.000 0.450 826 E N 3.646 123.837 120.200 -0.015 0.000 2.331 826 E HA 0.361 4.711 4.350 -0.000 0.000 0.272 826 E C -1.125 175.497 176.600 0.036 0.000 1.036 826 E CA -0.320 56.069 56.400 -0.017 0.000 0.864 826 E CB 0.921 30.624 29.700 0.005 0.000 1.035 826 E HN 0.522 nan 8.360 nan 0.000 0.408 827 I N 6.559 127.178 120.570 0.083 0.000 2.563 827 I HA 0.148 4.318 4.170 -0.000 0.000 0.276 827 I C -0.612 175.609 176.117 0.173 0.000 1.074 827 I CA -0.424 60.968 61.300 0.154 0.000 1.124 827 I CB 0.716 38.882 38.000 0.276 0.000 1.225 827 I HN 0.572 nan 8.210 nan 0.000 0.482 828 L N 5.386 126.638 121.223 0.049 0.000 2.401 828 L HA 0.418 4.758 4.340 -0.000 0.000 0.283 828 L C 0.915 177.657 176.870 -0.213 0.000 1.151 828 L CA -0.119 54.682 54.840 -0.065 0.000 0.942 828 L CB 0.337 42.355 42.059 -0.068 0.000 1.283 828 L HN 0.581 nan 8.230 nan 0.000 0.442 829 G N 2.565 111.055 108.800 -0.517 0.000 2.454 829 G HA2 0.644 4.604 3.960 -0.000 0.000 0.329 829 G HA3 0.644 4.604 3.960 -0.000 0.000 0.329 829 G C -0.935 173.146 174.900 -1.365 0.000 1.177 829 G CA -0.402 44.252 45.100 -0.743 0.000 0.951 829 G HN 0.479 nan 8.290 nan 0.000 0.485 830 Q N -0.526 118.879 119.800 -0.658 0.000 2.359 830 Q HA 0.634 4.974 4.340 -0.000 0.000 0.275 830 Q C 0.042 175.971 176.000 -0.117 0.000 1.082 830 Q CA -0.923 54.629 55.803 -0.418 0.000 0.849 830 Q CB 2.324 30.921 28.738 -0.236 0.000 1.377 830 Q HN 0.728 nan 8.270 nan 0.000 0.452 831 A N 0.758 123.575 122.820 -0.006 0.000 2.448 831 A HA 0.496 4.816 4.320 -0.000 0.000 0.239 831 A C 0.075 177.665 177.584 0.011 0.000 1.080 831 A CA 0.197 52.272 52.037 0.063 0.000 0.779 831 A CB -0.068 18.956 19.000 0.041 0.000 1.026 831 A HN 0.759 nan 8.150 nan 0.000 0.499 832 A N 1.825 124.653 122.820 0.014 0.000 2.492 832 A HA 0.445 4.765 4.320 -0.000 0.000 0.236 832 A C -1.021 176.552 177.584 -0.017 0.000 1.078 832 A CA -0.360 51.672 52.037 -0.008 0.000 0.773 832 A CB -0.461 18.534 19.000 -0.009 0.000 1.023 832 A HN 0.649 nan 8.150 nan 0.000 0.504 833 P HA -0.036 nan 4.420 nan 0.000 0.223 833 P C 1.272 178.559 177.300 -0.021 0.000 1.151 833 P CA 1.715 64.801 63.100 -0.023 0.000 0.787 833 P CB 0.068 31.755 31.700 -0.023 0.000 0.788 834 G N -0.177 108.612 108.800 -0.018 0.000 2.570 834 G HA2 0.007 3.967 3.960 -0.000 0.000 0.209 834 G HA3 0.007 3.967 3.960 -0.000 0.000 0.209 834 G C 0.752 175.641 174.900 -0.019 0.000 1.168 834 G CA 0.058 45.147 45.100 -0.017 0.000 0.831 834 G HN 0.227 nan 8.290 nan 0.000 0.564 835 K N -0.041 120.349 120.400 -0.016 0.000 2.273 835 K HA 0.491 4.811 4.320 -0.000 0.000 0.240 835 K C -0.574 176.017 176.600 -0.016 0.000 1.056 835 K CA 0.067 56.345 56.287 -0.016 0.000 0.910 835 K CB 0.776 33.268 32.500 -0.013 0.000 1.196 835 K HN 0.131 nan 8.250 nan 0.000 0.509 836 S N -0.043 115.647 115.700 -0.017 0.000 2.446 836 S HA 0.185 4.655 4.470 -0.000 0.000 0.230 836 S C -0.204 174.384 174.600 -0.020 0.000 1.051 836 S CA 0.013 58.203 58.200 -0.016 0.000 1.113 836 S CB 0.058 63.243 63.200 -0.026 0.000 1.184 836 S HN 0.775 nan 8.310 nan 0.000 0.435 837 T N 3.760 118.313 114.554 -0.002 0.000 13.704 837 T HA -0.309 4.041 4.350 -0.000 0.000 0.419 837 T C 1.711 176.355 174.700 -0.094 0.000 1.441 837 T CA 2.229 64.314 62.100 -0.026 0.000 2.347 837 T CB -1.827 67.017 68.868 -0.039 0.000 2.784 837 T HN 1.419 nan 8.240 nan 0.000 0.477 838 G N 1.827 110.566 108.800 -0.103 0.000 2.550 838 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.222 838 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.222 838 G C 1.216 176.056 174.900 -0.100 0.000 1.113 838 G CA 1.937 46.966 45.100 -0.118 0.000 0.748 838 G HN 0.837 nan 8.290 nan 0.000 0.585 839 E N 0.601 120.760 120.200 -0.070 0.000 2.008 839 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 839 E C 3.040 179.601 176.600 -0.066 0.000 0.986 839 E CA 0.733 57.100 56.400 -0.055 0.000 0.807 839 E CB -0.347 29.332 29.700 -0.035 0.000 0.766 839 E HN 0.380 nan 8.360 nan 0.000 0.450 840 A N 1.635 124.425 122.820 -0.051 0.000 1.883 840 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 840 A C 2.273 179.768 177.584 -0.149 0.000 1.186 840 A CA 1.647 53.658 52.037 -0.042 0.000 0.624 840 A CB -0.617 18.432 19.000 0.082 0.000 0.822 840 A HN 0.141 nan 8.150 nan 0.000 0.444 841 M N -0.607 118.848 119.600 -0.242 0.000 2.073 841 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 841 M C 2.115 178.306 176.300 -0.181 0.000 1.070 841 M CA 2.241 57.285 55.300 -0.428 0.000 1.103 841 M CB -0.421 31.736 32.600 -0.738 0.000 1.321 841 M HN 0.709 nan 8.290 nan 0.000 0.405 842 E N 0.318 120.430 120.200 -0.146 0.000 2.427 842 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 842 E C 1.075 177.639 176.600 -0.060 0.000 1.028 842 E CA 0.874 57.235 56.400 -0.064 0.000 0.864 842 E CB -0.446 29.221 29.700 -0.055 0.000 0.813 842 E HN 0.518 nan 8.360 nan 0.000 0.514 843 L N 0.137 121.308 121.223 -0.086 0.000 2.728 843 L HA 0.319 4.659 4.340 -0.000 0.000 0.235 843 L C 1.370 178.155 176.870 -0.142 0.000 1.197 843 L CA -0.087 54.702 54.840 -0.084 0.000 0.992 843 L CB 0.045 42.064 42.059 -0.066 0.000 1.263 843 L HN 0.265 nan 8.230 nan 0.000 0.484 844 M N -1.840 117.644 119.600 -0.194 0.000 2.180 844 M HA 0.087 4.567 4.480 -0.000 0.000 0.289 844 M C 1.545 177.572 176.300 -0.455 0.000 1.089 844 M CA 0.539 55.619 55.300 -0.366 0.000 1.120 844 M CB 0.638 32.923 32.600 -0.526 0.000 1.864 844 M HN 0.177 nan 8.290 nan 0.000 0.636 845 E N 1.027 121.067 120.200 -0.267 0.000 2.150 845 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 845 E C 1.559 178.034 176.600 -0.209 0.000 0.985 845 E CA 1.386 57.584 56.400 -0.336 0.000 0.814 845 E CB 0.060 29.765 29.700 0.008 0.000 0.752 845 E HN 0.536 nan 8.360 nan 0.000 0.466 846 Q N 0.254 119.985 119.800 -0.116 0.000 2.378 846 Q HA -0.007 4.333 4.340 -0.000 0.000 0.205 846 Q C 1.722 177.682 176.000 -0.066 0.000 0.954 846 Q CA 0.835 56.606 55.803 -0.054 0.000 0.901 846 Q CB -0.224 28.502 28.738 -0.020 0.000 0.981 846 Q HN 0.256 nan 8.270 nan 0.000 0.483 847 L N -0.411 120.733 121.223 -0.132 0.000 2.354 847 L HA 0.258 4.598 4.340 -0.000 0.000 0.212 847 L C 2.083 178.877 176.870 -0.127 0.000 1.091 847 L CA 0.703 55.476 54.840 -0.111 0.000 0.828 847 L CB -0.208 41.763 42.059 -0.147 0.000 0.973 847 L HN 0.372 nan 8.230 nan 0.000 0.461 848 A N -0.402 122.292 122.820 -0.211 0.000 2.016 848 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 848 A C 2.330 179.917 177.584 0.005 0.000 1.162 848 A CA 1.279 53.241 52.037 -0.124 0.000 0.662 848 A CB -0.334 18.540 19.000 -0.209 0.000 0.812 848 A HN 0.451 nan 8.150 nan 0.000 0.450 849 S N -0.992 114.712 115.700 0.006 0.000 2.561 849 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 849 S C 1.232 175.856 174.600 0.040 0.000 0.977 849 S CA 0.833 59.080 58.200 0.078 0.000 0.926 849 S CB -0.140 63.120 63.200 0.100 0.000 0.769 849 S HN 0.477 nan 8.310 nan 0.000 0.533 850 K N 0.643 121.050 120.400 0.013 0.000 2.493 850 K HA 0.405 4.725 4.320 -0.000 0.000 0.207 850 K C -0.324 176.282 176.600 0.010 0.000 1.033 850 K CA -0.169 56.123 56.287 0.009 0.000 1.161 850 K CB 0.096 32.596 32.500 0.000 0.000 0.873 850 K HN 0.419 nan 8.250 nan 0.000 0.491 851 L N 0.681 121.915 121.223 0.018 0.000 2.376 851 L HA 0.440 4.780 4.340 -0.000 0.000 0.267 851 L C -1.924 174.959 176.870 0.021 0.000 1.035 851 L CA -2.351 52.501 54.840 0.019 0.000 0.800 851 L CB 0.181 42.255 42.059 0.026 0.000 1.290 851 L HN -0.048 nan 8.230 nan 0.000 0.462 852 P HA 0.073 nan 4.420 nan 0.000 0.271 852 P C -0.663 176.648 177.300 0.019 0.000 1.238 852 P CA -0.293 62.816 63.100 0.015 0.000 0.794 852 P CB 0.212 31.918 31.700 0.011 0.000 0.959 853 T N 0.107 114.670 114.554 0.014 0.000 2.898 853 T HA 0.388 4.738 4.350 -0.000 0.000 0.301 853 T C 1.137 175.845 174.700 0.013 0.000 1.049 853 T CA 0.985 63.094 62.100 0.014 0.000 1.095 853 T CB -0.023 68.851 68.868 0.010 0.000 0.976 853 T HN 0.827 nan 8.240 nan 0.000 0.539 854 G N 0.721 109.527 108.800 0.011 0.000 2.147 854 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 854 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 854 G C -0.025 174.881 174.900 0.010 0.000 1.005 854 G CA -0.062 45.043 45.100 0.008 0.000 0.713 854 G HN 0.794 nan 8.290 nan 0.000 0.515 855 V N 0.441 120.366 119.914 0.018 0.000 2.445 855 V HA 0.708 4.828 4.120 -0.000 0.000 0.283 855 V C 0.867 176.988 176.094 0.044 0.000 1.014 855 V CA 0.139 62.454 62.300 0.025 0.000 0.852 855 V CB 1.082 32.924 31.823 0.031 0.000 1.021 855 V HN 0.779 nan 8.190 nan 0.000 0.435 856 G N 3.881 112.691 108.800 0.017 0.000 2.736 856 G HA2 0.756 4.716 3.960 -0.000 0.000 0.229 856 G HA3 0.756 4.716 3.960 -0.000 0.000 0.229 856 G C -0.946 173.982 174.900 0.048 0.000 1.380 856 G CA -0.224 44.885 45.100 0.015 0.000 1.040 856 G HN 0.875 nan 8.290 nan 0.000 0.568 857 Y N -2.984 117.205 120.300 -0.184 0.000 2.750 857 Y HA 0.715 5.265 4.550 -0.000 0.000 0.335 857 Y C -1.971 173.666 175.900 -0.439 0.000 1.252 857 Y CA -1.446 56.407 58.100 -0.413 0.000 1.064 857 Y CB 1.918 40.131 38.460 -0.412 0.000 1.321 857 Y HN 0.547 nan 8.280 nan 0.000 0.451 858 D N 0.183 120.249 120.400 -0.556 0.000 2.812 858 D HA 0.194 4.834 4.640 -0.000 0.000 0.210 858 D C -1.739 174.201 176.300 -0.600 0.000 1.260 858 D CA -0.569 53.152 54.000 -0.465 0.000 0.817 858 D CB 1.298 41.876 40.800 -0.369 0.000 1.694 858 D HN 0.631 nan 8.370 nan 0.000 0.530 870 G N 1.871 110.788 108.800 0.196 0.000 2.640 870 G HA2 0.067 4.027 3.960 -0.000 0.000 0.686 870 G HA3 0.067 4.027 3.960 -0.000 0.000 0.686 870 G C -0.236 174.738 174.900 0.123 0.000 1.229 870 G CA -0.013 45.186 45.100 0.164 0.000 0.796 870 G HN 0.488 nan 8.290 nan 0.000 0.654 871 N N 0.061 118.809 118.700 0.080 0.000 2.289 871 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 871 N C 2.120 177.680 175.510 0.083 0.000 1.016 871 N CA 2.076 55.163 53.050 0.062 0.000 0.872 871 N CB -0.078 38.428 38.487 0.032 0.000 0.973 871 N HN 0.821 nan 8.380 nan 0.000 0.433 872 Q N 0.411 120.277 119.800 0.109 0.000 2.078 872 Q HA -0.375 3.965 4.340 -0.000 0.000 0.222 872 Q C 1.807 177.890 176.000 0.137 0.000 1.073 872 Q CA 3.173 59.060 55.803 0.140 0.000 0.926 872 Q CB -1.097 27.780 28.738 0.231 0.000 1.054 872 Q HN 0.429 nan 8.270 nan 0.000 0.450 873 A N 0.117 123.038 122.820 0.168 0.000 1.873 873 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 873 A C -0.227 177.499 177.584 0.236 0.000 1.193 873 A CA 2.024 54.201 52.037 0.233 0.000 0.629 873 A CB -2.046 17.099 19.000 0.241 0.000 0.826 873 A HN 0.591 nan 8.150 nan 0.000 0.447 874 P HA -0.220 nan 4.420 nan 0.000 0.222 874 P C 1.620 178.980 177.300 0.100 0.000 1.157 874 P CA 2.412 65.567 63.100 0.093 0.000 0.905 874 P CB -0.188 31.548 31.700 0.061 0.000 0.792 875 S N -1.736 114.018 115.700 0.090 0.000 2.421 875 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 875 S C 1.912 176.562 174.600 0.083 0.000 1.035 875 S CA 0.460 58.700 58.200 0.066 0.000 0.953 875 S CB -0.819 62.401 63.200 0.033 0.000 0.810 875 S HN 0.081 nan 8.310 nan 0.000 0.497 876 L N 0.190 121.471 121.223 0.097 0.000 1.971 876 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 876 L C 2.266 179.134 176.870 -0.003 0.000 1.072 876 L CA 1.813 56.684 54.840 0.051 0.000 0.758 876 L CB -0.843 41.199 42.059 -0.029 0.000 0.889 876 L HN 0.317 nan 8.230 nan 0.000 0.433 877 Y N -0.090 120.202 120.300 -0.014 0.000 2.333 877 Y HA -0.205 4.345 4.550 -0.000 0.000 0.290 877 Y C 2.618 178.513 175.900 -0.009 0.000 1.144 877 Y CA 0.975 59.060 58.100 -0.025 0.000 1.228 877 Y CB -0.626 37.806 38.460 -0.047 0.000 0.985 877 Y HN 0.169 nan 8.280 nan 0.000 0.542 878 A N 0.267 123.170 122.820 0.139 0.000 1.908 878 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 878 A C 2.033 179.648 177.584 0.051 0.000 1.181 878 A CA 2.129 54.209 52.037 0.072 0.000 0.627 878 A CB -1.011 18.018 19.000 0.048 0.000 0.818 878 A HN 0.473 nan 8.150 nan 0.000 0.445 879 I N -0.149 120.457 120.570 0.060 0.000 2.761 879 I HA -0.106 4.064 4.170 -0.000 0.000 0.261 879 I C 2.237 178.386 176.117 0.054 0.000 1.198 879 I CA 1.053 62.394 61.300 0.069 0.000 1.482 879 I CB -0.106 37.975 38.000 0.135 0.000 1.100 879 I HN 0.107 nan 8.210 nan 0.000 0.445 880 S N 0.810 116.525 115.700 0.025 0.000 2.447 880 S HA 0.017 4.486 4.470 -0.000 0.000 0.233 880 S C 1.885 176.504 174.600 0.032 0.000 1.006 880 S CA 1.001 59.203 58.200 0.004 0.000 0.957 880 S CB -0.235 62.931 63.200 -0.057 0.000 0.773 880 S HN 0.419 nan 8.310 nan 0.000 0.507 881 L N 0.099 121.346 121.223 0.040 0.000 2.307 881 L HA 0.154 4.494 4.340 -0.000 0.000 0.211 881 L C 1.875 178.753 176.870 0.013 0.000 1.099 881 L CA 0.748 55.602 54.840 0.024 0.000 0.816 881 L CB -0.499 41.567 42.059 0.013 0.000 0.952 881 L HN 0.289 nan 8.230 nan 0.000 0.455 882 I N -0.729 119.850 120.570 0.015 0.000 2.429 882 I HA -0.119 4.051 4.170 -0.000 0.000 0.247 882 I C 2.325 178.470 176.117 0.048 0.000 1.099 882 I CA 0.537 61.843 61.300 0.010 0.000 1.422 882 I CB -0.102 37.902 38.000 0.005 0.000 1.112 882 I HN -0.078 nan 8.210 nan 0.000 0.430 883 V N 0.294 120.239 119.914 0.052 0.000 2.667 883 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 883 V C 2.408 178.531 176.094 0.049 0.000 1.065 883 V CA 1.044 63.378 62.300 0.057 0.000 1.083 883 V CB -0.341 31.516 31.823 0.055 0.000 0.692 883 V HN 0.217 nan 8.190 nan 0.000 0.468 884 V N -0.398 119.540 119.914 0.039 0.000 2.223 884 V HA -0.287 3.833 4.120 -0.000 0.000 0.244 884 V C 2.176 178.277 176.094 0.011 0.000 1.045 884 V CA 2.607 64.915 62.300 0.013 0.000 1.000 884 V CB -0.682 31.140 31.823 -0.001 0.000 0.635 884 V HN 0.540 nan 8.190 nan 0.000 0.445 885 F N -0.278 119.594 119.950 -0.129 0.000 2.192 885 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 885 F C 2.060 177.791 175.800 -0.115 0.000 1.079 885 F CA 1.555 59.436 58.000 -0.198 0.000 1.303 885 F CB -0.013 38.813 39.000 -0.290 0.000 1.024 885 F HN 0.028 nan 8.300 nan 0.000 0.494 886 L N -1.455 119.844 121.223 0.127 0.000 2.068 886 L HA -0.199 4.141 4.340 -0.000 0.000 0.204 886 L C 2.478 179.391 176.870 0.071 0.000 1.076 886 L CA 1.193 56.104 54.840 0.119 0.000 0.753 886 L CB -1.484 40.646 42.059 0.118 0.000 0.910 886 L HN 0.171 nan 8.230 nan 0.000 0.439 887 C N 0.229 119.561 119.300 0.053 0.000 2.422 887 C HA -0.077 4.383 4.460 -0.000 0.000 0.286 887 C C 2.137 177.191 174.990 0.106 0.000 1.412 887 C CA 0.089 59.143 59.018 0.061 0.000 1.786 887 C CB -0.870 26.894 27.740 0.039 0.000 1.835 887 C HN 0.364 nan 8.230 nan 0.000 0.533 888 L N 0.481 121.711 121.223 0.012 0.000 2.851 888 L HA 0.279 4.619 4.340 -0.000 0.000 0.237 888 L C 1.223 178.110 176.870 0.028 0.000 1.257 888 L CA 0.590 55.404 54.840 -0.043 0.000 1.061 888 L CB -0.492 41.385 42.059 -0.303 0.000 1.372 888 L HN 0.368 nan 8.230 nan 0.000 0.493 889 A N -1.941 120.972 122.820 0.154 0.000 2.631 889 A HA 0.325 4.645 4.320 -0.000 0.000 0.179 889 A C 1.562 179.209 177.584 0.104 0.000 1.492 889 A CA 0.576 52.708 52.037 0.158 0.000 1.077 889 A CB -0.100 19.027 19.000 0.212 0.000 1.249 889 A HN 0.228 nan 8.150 nan 0.000 0.466 890 A N -0.458 122.398 122.820 0.060 0.000 2.072 890 A HA 0.401 4.720 4.320 -0.000 0.000 0.216 890 A C 1.313 178.825 177.584 -0.120 0.000 1.156 890 A CA 1.426 53.460 52.037 -0.006 0.000 0.701 890 A CB -0.125 18.879 19.000 0.007 0.000 0.816 890 A HN 0.421 nan 8.150 nan 0.000 0.458 891 L N -2.311 118.740 121.223 -0.287 0.000 3.086 891 L HA 0.265 4.605 4.340 -0.000 0.000 0.274 891 L C -0.508 175.873 176.870 -0.815 0.000 1.184 891 L CA 0.606 55.073 54.840 -0.622 0.000 1.002 891 L CB -0.785 40.733 42.059 -0.902 0.000 1.383 891 L HN 0.530 nan 8.230 nan 0.000 0.582 892 Y N 0.411 120.694 120.300 -0.028 0.000 2.614 892 Y HA 0.236 4.786 4.550 -0.000 0.000 0.296 892 Y C 0.528 176.425 175.900 -0.005 0.000 0.942 892 Y CA -1.290 56.792 58.100 -0.030 0.000 1.111 892 Y CB 0.174 38.601 38.460 -0.055 0.000 1.182 892 Y HN 0.171 nan 8.280 nan 0.000 0.624 893 E N 0.227 120.465 120.200 0.062 0.000 2.406 893 E HA 0.330 4.680 4.350 -0.000 0.000 0.258 893 E C 0.389 176.977 176.600 -0.019 0.000 1.043 893 E CA 0.775 57.186 56.400 0.018 0.000 0.929 893 E CB 0.723 30.386 29.700 -0.061 0.000 0.969 893 E HN 0.466 nan 8.360 nan 0.000 0.462 894 S N 2.451 118.144 115.700 -0.012 0.000 4.419 894 S HA -0.036 4.434 4.470 -0.000 0.000 0.161 894 S C 0.270 174.966 174.600 0.161 0.000 1.008 894 S CA -0.218 57.971 58.200 -0.020 0.000 1.336 894 S CB -0.885 62.352 63.200 0.063 0.000 1.536 894 S HN 0.835 nan 8.310 nan 0.000 0.429 895 W N 1.693 123.067 121.300 0.123 0.000 1.774 895 W HA -0.250 4.410 4.660 -0.000 0.000 0.275 895 W C 1.279 178.003 176.519 0.341 0.000 1.101 895 W CA 0.366 57.919 57.345 0.347 0.000 0.460 895 W CB -1.883 27.798 29.460 0.367 0.000 2.135 895 W HN 0.633 nan 8.180 nan 0.000 1.112 896 S N -0.881 115.055 115.700 0.393 0.000 2.691 896 S HA 0.088 4.558 4.470 -0.000 0.000 0.241 896 S C 1.177 175.888 174.600 0.186 0.000 1.077 896 S CA 0.698 59.032 58.200 0.222 0.000 0.900 896 S CB -0.299 62.927 63.200 0.044 0.000 0.805 896 S HN 0.133 nan 8.310 nan 0.000 0.529 897 I N 2.934 123.567 120.570 0.105 0.000 2.315 897 I HA 0.039 4.209 4.170 -0.000 0.000 0.248 897 I C -1.254 174.787 176.117 -0.126 0.000 1.117 897 I CA 0.634 61.924 61.300 -0.016 0.000 1.404 897 I CB -1.106 36.883 38.000 -0.019 0.000 1.071 897 I HN 0.244 nan 8.210 nan 0.000 0.419 898 P HA -0.104 nan 4.420 nan 0.000 0.236 898 P C 0.748 177.617 177.300 -0.719 0.000 1.172 898 P CA 1.420 64.079 63.100 -0.734 0.000 0.759 898 P CB -0.144 30.628 31.700 -1.547 0.000 0.843 899 F N -2.136 117.765 119.950 -0.081 0.000 2.728 899 F HA 0.115 4.642 4.527 -0.000 0.000 0.314 899 F C 2.159 177.942 175.800 -0.028 0.000 1.094 899 F CA 0.052 58.055 58.000 0.005 0.000 1.217 899 F CB -0.743 38.290 39.000 0.055 0.000 1.056 899 F HN -0.137 nan 8.300 nan 0.000 0.577 900 S N 0.267 116.017 115.700 0.083 0.000 2.436 900 S HA -0.172 4.298 4.470 -0.000 0.000 0.208 900 S C 2.043 176.624 174.600 -0.032 0.000 1.063 900 S CA 1.145 59.352 58.200 0.012 0.000 1.120 900 S CB -1.147 62.032 63.200 -0.034 0.000 1.053 900 S HN 0.032 nan 8.310 nan 0.000 0.407 901 V N 2.222 122.076 119.914 -0.101 0.000 2.352 901 V HA -0.304 3.816 4.120 -0.000 0.000 0.266 901 V C 2.569 178.629 176.094 -0.056 0.000 1.117 901 V CA 2.481 64.714 62.300 -0.111 0.000 1.109 901 V CB -0.937 30.774 31.823 -0.188 0.000 0.705 901 V HN 0.550 nan 8.190 nan 0.000 0.455 902 M N -1.634 117.944 119.600 -0.037 0.000 2.623 902 M HA -0.108 4.372 4.480 -0.000 0.000 0.258 902 M C 1.688 178.029 176.300 0.068 0.000 1.067 902 M CA 1.533 56.841 55.300 0.013 0.000 1.068 902 M CB -0.803 31.821 32.600 0.040 0.000 1.409 902 M HN 0.405 nan 8.290 nan 0.000 0.504 903 L N -1.190 120.073 121.223 0.066 0.000 2.537 903 L HA 0.027 4.367 4.340 -0.000 0.000 0.224 903 L C 2.193 179.158 176.870 0.158 0.000 1.065 903 L CA 0.197 55.123 54.840 0.143 0.000 0.860 903 L CB -0.548 41.508 42.059 -0.005 0.000 1.086 903 L HN 0.092 nan 8.230 nan 0.000 0.482 904 V N -2.190 117.762 119.914 0.064 0.000 2.867 904 V HA -0.171 3.949 4.120 -0.000 0.000 0.260 904 V C 2.497 178.611 176.094 0.032 0.000 1.099 904 V CA 1.123 63.449 62.300 0.043 0.000 1.122 904 V CB -1.366 30.448 31.823 -0.014 0.000 0.708 904 V HN 0.201 nan 8.190 nan 0.000 0.490 905 V N 0.874 120.805 119.914 0.029 0.000 2.215 905 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 905 V C 0.370 176.460 176.094 -0.007 0.000 1.054 905 V CA 2.779 65.083 62.300 0.006 0.000 1.012 905 V CB -2.421 29.404 31.823 0.004 0.000 0.639 905 V HN 0.577 nan 8.190 nan 0.000 0.448 906 P HA 0.154 nan 4.420 nan 0.000 0.255 906 P C 1.575 178.855 177.300 -0.034 0.000 1.248 906 P CA 0.196 63.263 63.100 -0.055 0.000 0.807 906 P CB 0.097 31.729 31.700 -0.113 0.000 1.150 907 L N 0.095 121.338 121.223 0.032 0.000 1.989 907 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 907 L C 2.489 179.372 176.870 0.022 0.000 1.071 907 L CA 2.579 57.450 54.840 0.052 0.000 0.749 907 L CB -1.499 40.616 42.059 0.092 0.000 0.890 907 L HN 0.054 nan 8.230 nan 0.000 0.431 908 G N -2.245 106.564 108.800 0.015 0.000 2.459 908 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.213 908 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.213 908 G C 1.542 176.453 174.900 0.019 0.000 1.155 908 G CA 0.594 45.702 45.100 0.013 0.000 0.811 908 G HN 0.210 nan 8.290 nan 0.000 0.534 909 V N 1.264 121.178 119.914 0.001 0.000 2.490 909 V HA -0.168 3.951 4.120 -0.000 0.000 0.250 909 V C 2.609 178.723 176.094 0.032 0.000 1.061 909 V CA 1.472 63.773 62.300 0.002 0.000 1.064 909 V CB -0.341 31.447 31.823 -0.059 0.000 0.670 909 V HN 0.395 nan 8.190 nan 0.000 0.461 910 I N 1.593 122.168 120.570 0.008 0.000 2.194 910 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 910 I C 2.222 178.372 176.117 0.054 0.000 1.093 910 I CA 2.088 63.401 61.300 0.020 0.000 1.355 910 I CB -0.916 37.073 38.000 -0.018 0.000 1.046 910 I HN 0.215 nan 8.210 nan 0.000 0.413 911 G N -0.457 108.373 108.800 0.050 0.000 2.403 911 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 911 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 911 G C 1.739 176.708 174.900 0.114 0.000 1.154 911 G CA 0.644 45.780 45.100 0.060 0.000 0.784 911 G HN 0.624 nan 8.290 nan 0.000 0.538 912 A N 0.931 123.851 122.820 0.167 0.000 1.883 912 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 912 A C 2.428 180.270 177.584 0.430 0.000 1.186 912 A CA 1.444 53.668 52.037 0.312 0.000 0.624 912 A CB -0.532 18.651 19.000 0.305 0.000 0.822 912 A HN 0.344 nan 8.150 nan 0.000 0.444 913 L N -1.038 120.433 121.223 0.414 0.000 2.013 913 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 913 L C 2.636 179.592 176.870 0.143 0.000 1.073 913 L CA 1.638 56.690 54.840 0.353 0.000 0.753 913 L CB -0.566 41.657 42.059 0.273 0.000 0.890 913 L HN 0.451 nan 8.230 nan 0.000 0.432 914 L N -0.615 120.677 121.223 0.115 0.000 2.046 914 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 914 L C 2.677 179.590 176.870 0.072 0.000 1.077 914 L CA 1.395 56.277 54.840 0.071 0.000 0.747 914 L CB -0.281 41.797 42.059 0.032 0.000 0.896 914 L HN 0.254 nan 8.230 nan 0.000 0.432 915 A N -0.843 122.014 122.820 0.062 0.000 1.969 915 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 915 A C 2.247 179.859 177.584 0.046 0.000 1.169 915 A CA 1.422 53.502 52.037 0.071 0.000 0.635 915 A CB -0.596 18.441 19.000 0.061 0.000 0.810 915 A HN 0.497 nan 8.150 nan 0.000 0.445 916 A N -1.394 121.378 122.820 -0.080 0.000 2.147 916 A HA 0.162 4.482 4.320 -0.000 0.000 0.211 916 A C 1.995 179.495 177.584 -0.140 0.000 1.160 916 A CA 1.491 53.393 52.037 -0.225 0.000 0.781 916 A CB -0.513 18.076 19.000 -0.685 0.000 0.842 916 A HN 0.373 nan 8.150 nan 0.000 0.475 917 T N -1.116 113.415 114.554 -0.038 0.000 3.043 917 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 917 T C 1.458 176.200 174.700 0.070 0.000 1.094 917 T CA 0.927 63.029 62.100 0.004 0.000 1.127 917 T CB -0.245 68.645 68.868 0.036 0.000 0.905 917 T HN 0.434 nan 8.240 nan 0.000 0.490 918 F N 1.874 121.794 119.950 -0.051 0.000 2.147 918 F HA 0.320 4.847 4.527 -0.000 0.000 0.291 918 F C 1.327 177.104 175.800 -0.039 0.000 1.093 918 F CA 0.395 58.374 58.000 -0.034 0.000 1.263 918 F CB -0.029 38.956 39.000 -0.024 0.000 1.036 918 F HN -0.146 nan 8.300 nan 0.000 0.481 919 R N -0.371 120.080 120.500 -0.082 0.000 2.571 919 R HA 0.278 4.618 4.340 -0.000 0.000 0.259 919 R C 0.819 177.039 176.300 -0.133 0.000 1.226 919 R CA 0.309 56.304 56.100 -0.174 0.000 1.157 919 R CB 0.127 30.391 30.300 -0.060 0.000 1.220 919 R HN 0.286 nan 8.270 nan 0.000 0.605 920 G N 1.509 110.240 108.800 -0.115 0.000 3.379 920 G HA2 0.135 4.095 3.960 -0.000 0.000 0.253 920 G HA3 0.135 4.095 3.960 -0.000 0.000 0.253 920 G C 0.515 175.372 174.900 -0.072 0.000 1.262 920 G CA -0.217 44.828 45.100 -0.090 0.000 0.959 920 G HN 0.142 nan 8.290 nan 0.000 0.524 921 L N -0.569 120.600 121.223 -0.090 0.000 2.490 921 L HA 0.592 4.932 4.340 -0.000 0.000 0.245 921 L C 0.706 177.512 176.870 -0.107 0.000 1.185 921 L CA 0.042 54.824 54.840 -0.098 0.000 0.813 921 L CB 0.996 42.958 42.059 -0.161 0.000 1.233 921 L HN 0.102 nan 8.230 nan 0.000 0.489 922 T N -1.007 113.491 114.554 -0.093 0.000 2.778 922 T HA 0.209 4.559 4.350 -0.000 0.000 0.293 922 T C -0.575 174.131 174.700 0.009 0.000 1.144 922 T CA -0.622 61.445 62.100 -0.055 0.000 1.010 922 T CB 1.377 70.242 68.868 -0.005 0.000 1.325 922 T HN 0.549 nan 8.240 nan 0.000 0.515 923 N N 1.693 120.459 118.700 0.110 0.000 2.895 923 N HA 0.230 4.970 4.740 -0.000 0.000 0.277 923 N C -0.232 175.411 175.510 0.221 0.000 1.185 923 N CA -0.298 52.937 53.050 0.308 0.000 1.106 923 N CB -0.140 38.472 38.487 0.208 0.000 1.422 923 N HN 0.616 nan 8.380 nan 0.000 0.521 924 D N -1.169 119.366 120.400 0.226 0.000 2.481 924 D HA 0.095 4.735 4.640 -0.000 0.000 0.283 924 D C 0.936 177.271 176.300 0.059 0.000 1.192 924 D CA -0.771 53.284 54.000 0.092 0.000 1.100 924 D CB 0.108 40.945 40.800 0.061 0.000 1.166 924 D HN -0.033 nan 8.370 nan 0.000 0.584 925 V N -1.451 118.337 119.914 -0.210 0.000 2.535 925 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 925 V C 1.723 177.802 176.094 -0.024 0.000 1.045 925 V CA 1.048 63.171 62.300 -0.296 0.000 1.058 925 V CB -0.766 30.537 31.823 -0.866 0.000 0.689 925 V HN 0.496 nan 8.190 nan 0.000 0.461 926 Y N -1.697 118.709 120.300 0.176 0.000 2.293 926 Y HA -0.201 4.349 4.550 -0.000 0.000 0.291 926 Y C 2.196 178.309 175.900 0.354 0.000 1.137 926 Y CA 1.749 60.031 58.100 0.303 0.000 1.202 926 Y CB -0.281 38.341 38.460 0.270 0.000 0.990 926 Y HN 0.343 nan 8.280 nan 0.000 0.537 927 F N 1.178 121.299 119.950 0.284 0.000 2.187 927 F HA -0.114 4.413 4.527 -0.000 0.000 0.295 927 F C 2.374 178.301 175.800 0.212 0.000 1.091 927 F CA 1.333 59.463 58.000 0.218 0.000 1.308 927 F CB -0.655 38.444 39.000 0.164 0.000 1.030 927 F HN -0.019 nan 8.300 nan 0.000 0.487 928 Q N -0.134 119.732 119.800 0.110 0.000 2.226 928 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 928 Q C 1.667 177.684 176.000 0.028 0.000 0.975 928 Q CA 1.875 57.690 55.803 0.019 0.000 0.866 928 Q CB -0.088 28.777 28.738 0.211 0.000 0.915 928 Q HN 0.341 nan 8.270 nan 0.000 0.440 929 V N -1.081 118.921 119.914 0.148 0.000 3.307 929 V HA 0.101 4.221 4.120 -0.000 0.000 0.253 929 V C 1.935 178.072 176.094 0.072 0.000 1.149 929 V CA 1.045 63.388 62.300 0.072 0.000 1.112 929 V CB 0.103 32.061 31.823 0.226 0.000 0.777 929 V HN 0.483 nan 8.190 nan 0.000 0.464 930 G N 0.168 109.057 108.800 0.147 0.000 2.509 930 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 930 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 930 G C 1.433 176.360 174.900 0.045 0.000 1.124 930 G CA 0.578 45.771 45.100 0.155 0.000 0.776 930 G HN 0.440 nan 8.290 nan 0.000 0.547 931 L N -0.426 120.742 121.223 -0.092 0.000 2.049 931 L HA 0.098 4.438 4.340 -0.000 0.000 0.203 931 L C 2.843 179.725 176.870 0.020 0.000 1.074 931 L CA 0.524 55.303 54.840 -0.103 0.000 0.749 931 L CB -0.611 41.332 42.059 -0.193 0.000 0.907 931 L HN 0.172 nan 8.230 nan 0.000 0.439 932 L N -0.385 120.868 121.223 0.049 0.000 2.079 932 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 932 L C 2.596 179.667 176.870 0.334 0.000 1.081 932 L CA 1.509 56.438 54.840 0.147 0.000 0.752 932 L CB -1.030 40.992 42.059 -0.062 0.000 0.896 932 L HN 0.272 nan 8.230 nan 0.000 0.433 933 T N -1.889 112.843 114.554 0.296 0.000 2.857 933 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 933 T C 1.940 176.648 174.700 0.013 0.000 1.048 933 T CA 1.683 63.893 62.100 0.183 0.000 1.139 933 T CB -0.271 68.706 68.868 0.182 0.000 0.874 933 T HN 0.277 nan 8.240 nan 0.000 0.455 934 T N 1.762 116.333 114.554 0.028 0.000 2.803 934 T HA 0.017 4.367 4.350 -0.000 0.000 0.269 934 T C 1.834 176.508 174.700 -0.043 0.000 1.052 934 T CA 0.833 62.921 62.100 -0.020 0.000 1.136 934 T CB -0.348 68.533 68.868 0.021 0.000 0.864 934 T HN 0.287 nan 8.240 nan 0.000 0.467 935 I N 0.565 121.128 120.570 -0.012 0.000 2.480 935 I HA 0.069 4.239 4.170 -0.000 0.000 0.251 935 I C 2.689 178.765 176.117 -0.067 0.000 1.124 935 I CA 0.795 62.082 61.300 -0.023 0.000 1.444 935 I CB -0.331 37.681 38.000 0.020 0.000 1.098 935 I HN 0.247 nan 8.210 nan 0.000 0.428 936 G N 0.610 109.353 108.800 -0.094 0.000 2.422 936 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 936 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 936 G C 1.653 176.435 174.900 -0.197 0.000 1.140 936 G CA 0.535 45.523 45.100 -0.187 0.000 0.775 936 G HN 0.284 nan 8.290 nan 0.000 0.545 937 L N 0.190 121.291 121.223 -0.202 0.000 2.209 937 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 937 L C 3.042 179.811 176.870 -0.168 0.000 1.094 937 L CA 0.567 55.271 54.840 -0.226 0.000 0.790 937 L CB -0.238 41.623 42.059 -0.330 0.000 0.932 937 L HN 0.143 nan 8.230 nan 0.000 0.447 938 S N -0.087 115.534 115.700 -0.130 0.000 2.368 938 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 938 S C 2.173 176.710 174.600 -0.105 0.000 1.030 938 S CA 1.295 59.439 58.200 -0.095 0.000 0.999 938 S CB -0.126 63.037 63.200 -0.061 0.000 0.844 938 S HN 0.477 nan 8.310 nan 0.000 0.459 939 A N 1.600 124.350 122.820 -0.118 0.000 1.835 939 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 939 A C 1.890 179.381 177.584 -0.154 0.000 1.199 939 A CA 2.179 54.134 52.037 -0.137 0.000 0.615 939 A CB -0.882 18.036 19.000 -0.137 0.000 0.838 939 A HN 0.420 nan 8.150 nan 0.000 0.444 940 K N 0.078 120.385 120.400 -0.154 0.000 1.976 940 K HA -0.286 4.034 4.320 -0.000 0.000 0.233 940 K C 1.720 178.230 176.600 -0.149 0.000 1.032 940 K CA 2.388 58.583 56.287 -0.153 0.000 1.032 940 K CB -0.686 31.720 32.500 -0.157 0.000 0.733 940 K HN 0.462 nan 8.250 nan 0.000 0.448 941 N N -0.089 118.530 118.700 -0.136 0.000 2.161 941 N HA -0.320 4.420 4.740 -0.000 0.000 0.199 941 N C 1.639 177.069 175.510 -0.134 0.000 0.990 941 N CA 2.377 55.356 53.050 -0.118 0.000 0.902 941 N CB -1.030 37.397 38.487 -0.099 0.000 1.074 941 N HN 0.485 nan 8.380 nan 0.000 0.556 942 A N 0.628 123.364 122.820 -0.141 0.000 1.873 942 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 942 A C 2.432 179.909 177.584 -0.180 0.000 1.186 942 A CA 1.096 53.040 52.037 -0.155 0.000 0.616 942 A CB -0.687 18.232 19.000 -0.136 0.000 0.823 942 A HN 0.289 nan 8.150 nan 0.000 0.442 943 I N 0.213 120.658 120.570 -0.209 0.000 2.423 943 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 943 I C 2.098 178.092 176.117 -0.206 0.000 1.151 943 I CA 0.965 62.114 61.300 -0.252 0.000 1.421 943 I CB -0.227 37.615 38.000 -0.262 0.000 1.079 943 I HN 0.338 nan 8.210 nan 0.000 0.431 944 L N -0.279 120.815 121.223 -0.215 0.000 2.095 944 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 944 L C 2.387 179.178 176.870 -0.132 0.000 1.080 944 L CA 0.820 55.481 54.840 -0.299 0.000 0.759 944 L CB -0.618 41.285 42.059 -0.260 0.000 0.914 944 L HN 0.148 nan 8.230 nan 0.000 0.439 945 I N -0.063 120.450 120.570 -0.095 0.000 2.530 945 I HA -0.209 3.961 4.170 -0.000 0.000 0.257 945 I C 2.120 178.242 176.117 0.008 0.000 1.179 945 I CA 1.147 62.405 61.300 -0.069 0.000 1.440 945 I CB -0.246 37.587 38.000 -0.277 0.000 1.087 945 I HN 0.144 nan 8.210 nan 0.000 0.440 946 V N -0.035 119.860 119.914 -0.032 0.000 2.635 946 V HA -0.083 4.037 4.120 -0.000 0.000 0.233 946 V C 2.312 178.444 176.094 0.064 0.000 1.097 946 V CA 0.931 63.234 62.300 0.004 0.000 1.134 946 V CB -0.421 31.350 31.823 -0.086 0.000 0.841 946 V HN 0.155 nan 8.190 nan 0.000 0.496 947 E N 0.683 120.905 120.200 0.037 0.000 2.136 947 E HA -0.280 4.070 4.350 -0.000 0.000 0.208 947 E C 1.898 178.589 176.600 0.153 0.000 1.035 947 E CA 2.317 58.773 56.400 0.093 0.000 0.838 947 E CB -0.489 29.223 29.700 0.019 0.000 0.748 947 E HN 0.584 nan 8.360 nan 0.000 0.459 948 F N -0.540 119.454 119.950 0.073 0.000 2.084 948 F HA -0.090 4.437 4.527 -0.000 0.000 0.296 948 F C 2.320 178.168 175.800 0.079 0.000 1.111 948 F CA 0.406 58.448 58.000 0.070 0.000 1.224 948 F CB -0.255 38.785 39.000 0.068 0.000 0.991 948 F HN 0.156 nan 8.300 nan 0.000 0.471 949 A N -0.902 122.099 122.820 0.302 0.000 2.209 949 A HA -0.110 4.210 4.320 -0.000 0.000 0.212 949 A C 1.709 179.393 177.584 0.168 0.000 1.158 949 A CA 1.167 53.335 52.037 0.219 0.000 0.742 949 A CB -0.298 18.844 19.000 0.236 0.000 0.790 949 A HN 0.144 nan 8.150 nan 0.000 0.472 950 K N -0.447 120.046 120.400 0.155 0.000 2.370 950 K HA 0.112 4.432 4.320 -0.000 0.000 0.194 950 K C 0.975 177.640 176.600 0.108 0.000 1.070 950 K CA 0.455 56.811 56.287 0.115 0.000 0.998 950 K CB 0.075 32.635 32.500 0.099 0.000 0.911 950 K HN 0.262 nan 8.250 nan 0.000 0.533 951 D N 0.395 120.876 120.400 0.135 0.000 2.264 951 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 951 D C 1.378 177.737 176.300 0.098 0.000 0.966 951 D CA 0.861 54.932 54.000 0.119 0.000 0.864 951 D CB 0.339 41.238 40.800 0.165 0.000 0.933 951 D HN 0.157 nan 8.370 nan 0.000 0.499 952 L N -0.365 120.923 121.223 0.108 0.000 2.354 952 L HA 0.136 4.476 4.340 -0.000 0.000 0.212 952 L C 2.297 179.218 176.870 0.084 0.000 1.091 952 L CA 0.144 55.034 54.840 0.084 0.000 0.828 952 L CB -0.017 42.094 42.059 0.087 0.000 0.973 952 L HN -0.068 nan 8.230 nan 0.000 0.461 953 M N -0.863 118.797 119.600 0.101 0.000 2.492 953 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 953 M C 0.830 177.181 176.300 0.086 0.000 1.090 953 M CA 1.293 56.660 55.300 0.110 0.000 1.110 953 M CB 0.177 32.852 32.600 0.124 0.000 1.407 953 M HN 0.210 nan 8.290 nan 0.000 0.470 954 D N -0.484 119.956 120.400 0.067 0.000 3.012 954 D HA 0.037 4.677 4.640 -0.000 0.000 0.230 954 D C 1.254 177.578 176.300 0.041 0.000 1.477 954 D CA 0.101 54.131 54.000 0.049 0.000 1.329 954 D CB -0.265 40.559 40.800 0.039 0.000 0.951 954 D HN 0.064 nan 8.370 nan 0.000 0.224 955 K N 0.767 121.188 120.400 0.037 0.000 2.162 955 K HA -0.209 4.111 4.320 -0.000 0.000 0.219 955 K C 1.046 177.664 176.600 0.029 0.000 1.038 955 K CA 1.507 57.812 56.287 0.031 0.000 0.946 955 K CB -0.235 32.286 32.500 0.035 0.000 0.783 955 K HN 0.330 nan 8.250 nan 0.000 0.470 956 E N -0.449 119.772 120.200 0.036 0.000 2.518 956 E HA 0.262 4.612 4.350 -0.000 0.000 0.248 956 E C 0.111 176.732 176.600 0.034 0.000 1.028 956 E CA -0.494 55.924 56.400 0.030 0.000 0.922 956 E CB 0.604 30.321 29.700 0.028 0.000 1.299 956 E HN 0.232 nan 8.360 nan 0.000 0.457 957 G N 1.252 110.069 108.800 0.027 0.000 2.225 957 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.245 957 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.245 957 G C 0.877 175.803 174.900 0.043 0.000 1.249 957 G CA 0.492 45.608 45.100 0.027 0.000 0.919 957 G HN 0.494 nan 8.290 nan 0.000 0.486 958 K N 2.732 123.162 120.400 0.051 0.000 2.044 958 K HA -0.160 4.160 4.320 -0.000 0.000 0.224 958 K C 1.618 178.276 176.600 0.096 0.000 1.056 958 K CA 1.946 58.285 56.287 0.087 0.000 0.962 958 K CB -0.652 31.893 32.500 0.076 0.000 0.730 958 K HN 1.604 nan 8.250 nan 0.000 0.453 959 G N 0.887 109.708 108.800 0.034 0.000 2.387 959 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.270 959 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.270 959 G C 0.291 175.186 174.900 -0.010 0.000 0.957 959 G CA 0.449 45.552 45.100 0.006 0.000 1.352 959 G HN 0.398 nan 8.290 nan 0.000 0.457 960 L N 1.143 122.255 121.223 -0.185 0.000 1.990 960 L HA -0.048 4.292 4.340 -0.000 0.000 0.213 960 L C 2.550 179.236 176.870 -0.306 0.000 1.072 960 L CA 2.577 57.078 54.840 -0.565 0.000 0.755 960 L CB 0.001 41.649 42.059 -0.686 0.000 0.889 960 L HN 0.864 nan 8.230 nan 0.000 0.432 961 I N -5.581 114.871 120.570 -0.198 0.000 4.102 961 I HA 0.202 4.372 4.170 -0.000 0.000 0.325 961 I C 0.954 177.001 176.117 -0.116 0.000 1.471 961 I CA -0.132 61.085 61.300 -0.139 0.000 1.133 961 I CB 0.376 38.270 38.000 -0.177 0.000 1.184 961 I HN 0.034 nan 8.210 nan 0.000 0.451 962 E N 1.358 121.509 120.200 -0.081 0.000 2.447 962 E HA 0.338 4.688 4.350 -0.000 0.000 0.204 962 E C 2.040 178.627 176.600 -0.022 0.000 0.977 962 E CA 0.758 57.121 56.400 -0.062 0.000 0.950 962 E CB 0.736 30.402 29.700 -0.057 0.000 0.975 962 E HN 0.617 nan 8.360 nan 0.000 0.496 963 A N 0.405 123.236 122.820 0.018 0.000 2.014 963 A HA -0.034 4.286 4.320 -0.000 0.000 0.210 963 A C 2.251 179.893 177.584 0.096 0.000 1.188 963 A CA 1.171 53.245 52.037 0.061 0.000 0.731 963 A CB -0.597 18.459 19.000 0.095 0.000 0.858 963 A HN 0.296 nan 8.150 nan 0.000 0.464 964 T N -0.675 113.938 114.554 0.098 0.000 2.674 964 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 964 T C 1.913 176.627 174.700 0.023 0.000 1.039 964 T CA 1.439 63.633 62.100 0.156 0.000 1.150 964 T CB -0.693 68.263 68.868 0.147 0.000 0.864 964 T HN 0.262 nan 8.240 nan 0.000 0.427 965 L N 1.379 122.498 121.223 -0.173 0.000 2.046 965 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 965 L C 2.453 179.292 176.870 -0.051 0.000 1.077 965 L CA 2.232 56.924 54.840 -0.246 0.000 0.747 965 L CB -0.597 41.322 42.059 -0.234 0.000 0.896 965 L HN 0.227 nan 8.230 nan 0.000 0.432 966 D N -0.210 120.189 120.400 -0.003 0.000 2.149 966 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 966 D C 2.067 178.410 176.300 0.072 0.000 0.990 966 D CA 1.380 55.397 54.000 0.029 0.000 0.839 966 D CB 0.099 40.912 40.800 0.022 0.000 0.948 966 D HN 0.469 nan 8.370 nan 0.000 0.460 967 A N -0.287 122.614 122.820 0.134 0.000 1.929 967 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 967 A C 2.366 180.083 177.584 0.221 0.000 1.176 967 A CA 1.302 53.443 52.037 0.175 0.000 0.628 967 A CB -0.630 18.531 19.000 0.269 0.000 0.816 967 A HN 0.242 nan 8.150 nan 0.000 0.444 968 V N -0.331 119.776 119.914 0.323 0.000 3.129 968 V HA -0.026 4.094 4.120 -0.000 0.000 0.259 968 V C 2.322 178.559 176.094 0.239 0.000 1.116 968 V CA 1.081 63.596 62.300 0.358 0.000 1.127 968 V CB -0.694 31.538 31.823 0.680 0.000 0.742 968 V HN 0.533 nan 8.190 nan 0.000 0.474 969 R N 1.129 121.730 120.500 0.168 0.000 2.193 969 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 969 R C 1.025 177.372 176.300 0.078 0.000 1.110 969 R CA 1.577 57.743 56.100 0.110 0.000 0.988 969 R CB -0.178 30.161 30.300 0.065 0.000 0.871 969 R HN 0.713 nan 8.270 nan 0.000 0.458 970 M N -1.205 118.436 119.600 0.067 0.000 3.731 970 M HA 0.364 4.844 4.480 -0.000 0.000 0.442 970 M C -0.302 176.007 176.300 0.015 0.000 1.776 970 M CA -0.545 54.769 55.300 0.023 0.000 0.646 970 M CB 1.161 33.748 32.600 -0.022 0.000 1.439 970 M HN -0.173 nan 8.290 nan 0.000 0.523 971 R N -0.739 119.812 120.500 0.084 0.000 2.438 971 R HA 0.195 4.535 4.340 -0.000 0.000 0.265 971 R C 0.450 176.811 176.300 0.101 0.000 0.657 971 R CA -0.406 55.767 56.100 0.123 0.000 0.893 971 R CB -1.478 28.979 30.300 0.261 0.000 1.546 971 R HN 0.443 nan 8.270 nan 0.000 0.518 972 L N 0.656 121.904 121.223 0.041 0.000 2.127 972 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 972 L C 1.833 178.677 176.870 -0.044 0.000 1.089 972 L CA 2.057 56.856 54.840 -0.068 0.000 0.757 972 L CB -0.440 41.450 42.059 -0.282 0.000 0.899 972 L HN 0.560 nan 8.230 nan 0.000 0.434 973 R N 0.767 121.264 120.500 -0.005 0.000 2.088 973 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 973 R C -0.326 176.063 176.300 0.149 0.000 1.136 973 R CA 2.097 58.248 56.100 0.085 0.000 0.926 973 R CB -1.453 28.869 30.300 0.037 0.000 0.837 973 R HN 0.343 nan 8.270 nan 0.000 0.429 974 P HA -0.161 nan 4.420 nan 0.000 0.218 974 P C 1.549 178.861 177.300 0.020 0.000 1.148 974 P CA 1.168 64.312 63.100 0.073 0.000 0.822 974 P CB -0.236 31.526 31.700 0.103 0.000 0.784 975 I N -1.027 119.555 120.570 0.020 0.000 2.179 975 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 975 I C 2.245 178.341 176.117 -0.035 0.000 1.088 975 I CA 1.348 62.639 61.300 -0.016 0.000 1.357 975 I CB -1.270 36.723 38.000 -0.011 0.000 1.051 975 I HN -0.020 nan 8.210 nan 0.000 0.409 976 L N -0.691 120.520 121.223 -0.020 0.000 2.591 976 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 976 L C 2.159 178.927 176.870 -0.169 0.000 1.133 976 L CA 0.649 55.466 54.840 -0.038 0.000 0.880 976 L CB -0.206 41.867 42.059 0.023 0.000 1.033 976 L HN 0.105 nan 8.230 nan 0.000 0.450 977 M N -2.033 117.444 119.600 -0.205 0.000 2.248 977 M HA -0.121 4.359 4.480 -0.000 0.000 0.265 977 M C 1.992 178.129 176.300 -0.271 0.000 1.079 977 M CA 1.400 56.431 55.300 -0.449 0.000 1.150 977 M CB 0.074 32.525 32.600 -0.248 0.000 1.366 977 M HN 0.120 nan 8.290 nan 0.000 0.433 978 T N -0.525 113.945 114.554 -0.140 0.000 2.668 978 T HA -0.144 4.206 4.350 -0.000 0.000 0.262 978 T C 1.828 176.502 174.700 -0.043 0.000 1.045 978 T CA 1.895 63.946 62.100 -0.081 0.000 1.152 978 T CB -0.336 68.487 68.868 -0.077 0.000 0.864 978 T HN 0.438 nan 8.240 nan 0.000 0.419 979 S N 0.757 116.423 115.700 -0.057 0.000 2.359 979 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 979 S C 2.054 176.668 174.600 0.023 0.000 1.035 979 S CA 1.317 59.513 58.200 -0.007 0.000 1.018 979 S CB -0.582 62.602 63.200 -0.027 0.000 0.876 979 S HN 0.311 nan 8.310 nan 0.000 0.448 980 L N 2.036 123.218 121.223 -0.067 0.000 1.989 980 L HA 0.026 4.366 4.340 -0.000 0.000 0.211 980 L C 2.562 179.386 176.870 -0.076 0.000 1.071 980 L CA 2.406 57.190 54.840 -0.093 0.000 0.749 980 L CB -1.381 40.556 42.059 -0.203 0.000 0.890 980 L HN 0.332 nan 8.230 nan 0.000 0.431 981 A N -1.246 121.513 122.820 -0.100 0.000 1.978 981 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 981 A C 2.273 179.854 177.584 -0.005 0.000 1.170 981 A CA 2.076 54.073 52.037 -0.067 0.000 0.636 981 A CB -1.173 17.781 19.000 -0.076 0.000 0.810 981 A HN 0.610 nan 8.150 nan 0.000 0.448 982 F N 0.776 120.672 119.950 -0.092 0.000 2.149 982 F HA 0.004 4.530 4.527 -0.000 0.000 0.294 982 F C 1.819 177.583 175.800 -0.060 0.000 1.095 982 F CA 1.518 59.476 58.000 -0.071 0.000 1.276 982 F CB -0.100 38.861 39.000 -0.065 0.000 1.023 982 F HN 0.165 nan 8.300 nan 0.000 0.480 983 I N 0.085 120.680 120.570 0.042 0.000 3.176 983 I HA -0.182 3.988 4.170 -0.000 0.000 0.275 983 I C 1.808 177.850 176.117 -0.126 0.000 1.298 983 I CA 0.672 61.944 61.300 -0.046 0.000 1.445 983 I CB -0.622 37.416 38.000 0.064 0.000 1.075 983 I HN 0.271 nan 8.210 nan 0.000 0.482 984 L N 0.680 121.824 121.223 -0.131 0.000 2.168 984 L HA 0.118 4.458 4.340 -0.000 0.000 0.203 984 L C 2.655 179.430 176.870 -0.158 0.000 1.078 984 L CA 1.043 55.811 54.840 -0.121 0.000 0.780 984 L CB -0.596 41.408 42.059 -0.091 0.000 0.939 984 L HN 0.243 nan 8.230 nan 0.000 0.451 985 G N -0.797 107.879 108.800 -0.208 0.000 2.448 985 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 985 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 985 G C 1.511 176.238 174.900 -0.289 0.000 1.135 985 G CA 0.544 45.510 45.100 -0.224 0.000 0.784 985 G HN 0.161 nan 8.290 nan 0.000 0.543 986 V N 0.910 120.584 119.914 -0.401 0.000 2.515 986 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 986 V C 2.627 178.586 176.094 -0.225 0.000 1.058 986 V CA 1.815 63.891 62.300 -0.373 0.000 1.064 986 V CB -0.285 31.261 31.823 -0.462 0.000 0.675 986 V HN 0.482 nan 8.190 nan 0.000 0.461 987 M N 0.598 120.090 119.600 -0.180 0.000 2.073 987 M HA -0.152 4.328 4.480 -0.000 0.000 0.258 987 M C -0.320 175.908 176.300 -0.121 0.000 1.070 987 M CA 2.459 57.684 55.300 -0.124 0.000 1.103 987 M CB -1.197 31.343 32.600 -0.100 0.000 1.321 987 M HN 0.232 nan 8.290 nan 0.000 0.405 988 P HA -0.194 nan 4.420 nan 0.000 0.218 988 P C 1.292 178.507 177.300 -0.142 0.000 1.147 988 P CA 1.480 64.504 63.100 -0.127 0.000 0.827 988 P CB -0.318 31.301 31.700 -0.135 0.000 0.778 989 L N -2.240 118.883 121.223 -0.167 0.000 2.200 989 L HA -0.028 4.312 4.340 -0.000 0.000 0.200 989 L C 2.457 179.240 176.870 -0.146 0.000 1.072 989 L CA 0.711 55.437 54.840 -0.190 0.000 0.787 989 L CB -1.228 40.675 42.059 -0.260 0.000 0.957 989 L HN -0.185 nan 8.230 nan 0.000 0.459 990 V N 1.001 120.842 119.914 -0.121 0.000 2.231 990 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 990 V C 1.612 177.668 176.094 -0.064 0.000 1.054 990 V CA 1.766 64.018 62.300 -0.080 0.000 1.015 990 V CB -0.438 31.351 31.823 -0.057 0.000 0.638 990 V HN 0.279 nan 8.190 nan 0.000 0.444 991 I N -2.994 117.538 120.570 -0.063 0.000 4.235 991 I HA 0.492 4.662 4.170 -0.000 0.000 0.228 991 I C 1.629 177.708 176.117 -0.064 0.000 1.088 991 I CA 0.068 61.337 61.300 -0.051 0.000 1.466 991 I CB 0.772 38.752 38.000 -0.033 0.000 1.351 991 I HN 0.216 nan 8.210 nan 0.000 0.433 992 S N -0.265 115.403 115.700 -0.053 0.000 4.157 992 S HA -0.238 4.232 4.470 -0.000 0.000 0.462 992 S C 0.639 175.200 174.600 -0.064 0.000 1.862 992 S CA 1.787 59.952 58.200 -0.058 0.000 4.246 992 S CB -2.349 60.808 63.200 -0.071 0.000 0.237 992 S HN 0.934 nan 8.310 nan 0.000 0.454 993 T N 0.986 115.489 114.554 -0.085 0.000 2.870 993 T HA 0.518 4.868 4.350 -0.000 0.000 0.300 993 T C 0.443 175.098 174.700 -0.076 0.000 0.989 993 T CA 0.250 62.294 62.100 -0.094 0.000 1.139 993 T CB 1.427 70.221 68.868 -0.125 0.000 0.920 993 T HN 1.477 nan 8.240 nan 0.000 0.537 994 G N 0.023 108.785 108.800 -0.063 0.000 5.072 994 G HA2 0.596 4.555 3.960 -0.000 0.000 0.208 994 G HA3 0.596 4.555 3.960 -0.000 0.000 0.208 994 G C 0.044 174.931 174.900 -0.020 0.000 0.804 994 G CA 0.040 45.117 45.100 -0.039 0.000 0.619 994 G HN 1.081 nan 8.290 nan 0.000 0.427 995 A N -0.577 122.213 122.820 -0.051 0.000 1.766 995 A HA 0.594 4.914 4.320 -0.000 0.000 0.172 995 A C 2.042 179.505 177.584 -0.201 0.000 1.489 995 A CA 1.467 53.484 52.037 -0.033 0.000 1.662 995 A CB -0.745 18.255 19.000 -0.000 0.000 1.591 995 A HN 1.080 nan 8.150 nan 0.000 0.804 996 G N -0.276 108.275 108.800 -0.414 0.000 2.402 996 G HA2 0.215 4.175 3.960 -0.000 0.000 0.216 996 G HA3 0.215 4.175 3.960 -0.000 0.000 0.216 996 G C 0.776 175.462 174.900 -0.355 0.000 1.162 996 G CA 1.689 46.357 45.100 -0.721 0.000 0.777 996 G HN 1.131 nan 8.290 nan 0.000 0.539 997 S N -0.494 115.090 115.700 -0.194 0.000 2.652 997 S HA 0.511 4.981 4.470 -0.000 0.000 0.252 997 S C 1.135 175.721 174.600 -0.024 0.000 1.219 997 S CA 0.192 58.356 58.200 -0.061 0.000 1.151 997 S CB 0.867 64.032 63.200 -0.058 0.000 1.080 997 S HN 0.316 nan 8.310 nan 0.000 0.481 998 G N 2.684 111.507 108.800 0.037 0.000 2.534 998 G HA2 0.060 4.020 3.960 -0.000 0.000 0.217 998 G HA3 0.060 4.020 3.960 -0.000 0.000 0.217 998 G C 1.420 176.338 174.900 0.029 0.000 1.128 998 G CA 0.656 45.775 45.100 0.031 0.000 0.784 998 G HN 0.854 nan 8.290 nan 0.000 0.542 999 A N 0.460 123.319 122.820 0.065 0.000 2.019 999 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 999 A C 2.247 179.688 177.584 -0.239 0.000 1.164 999 A CA 1.691 53.724 52.037 -0.007 0.000 0.644 999 A CB -0.309 18.743 19.000 0.087 0.000 0.805 999 A HN 0.440 nan 8.150 nan 0.000 0.449 1000 Q N -0.300 119.359 119.800 -0.237 0.000 2.096 1000 Q HA -0.228 4.111 4.340 -0.000 0.000 0.204 1000 Q C 1.771 177.595 176.000 -0.293 0.000 0.982 1000 Q CA 1.846 57.382 55.803 -0.444 0.000 0.850 1000 Q CB -0.266 28.285 28.738 -0.311 0.000 0.901 1000 Q HN 0.798 nan 8.270 nan 0.000 0.422 1001 N N 0.415 119.019 118.700 -0.160 0.000 2.244 1001 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 1001 N C 1.504 176.978 175.510 -0.060 0.000 1.016 1001 N CA 1.165 54.157 53.050 -0.096 0.000 0.866 1001 N CB -0.194 38.260 38.487 -0.056 0.000 0.980 1001 N HN 0.236 nan 8.380 nan 0.000 0.430 1002 A N 0.324 123.120 122.820 -0.039 0.000 1.972 1002 A HA -0.067 4.252 4.320 -0.000 0.000 0.219 1002 A C 2.217 179.869 177.584 0.114 0.000 1.169 1002 A CA 1.136 53.216 52.037 0.072 0.000 0.635 1002 A CB -0.623 18.510 19.000 0.222 0.000 0.810 1002 A HN 0.106 nan 8.150 nan 0.000 0.446 1003 V N -0.342 119.549 119.914 -0.037 0.000 2.239 1003 V HA -0.087 4.033 4.120 -0.000 0.000 0.242 1003 V C 2.846 178.968 176.094 0.046 0.000 1.038 1003 V CA 1.933 64.246 62.300 0.022 0.000 1.002 1003 V CB -1.602 30.083 31.823 -0.230 0.000 0.641 1003 V HN 0.532 nan 8.190 nan 0.000 0.449 1004 G N -0.481 108.282 108.800 -0.061 0.000 2.408 1004 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 1004 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 1004 G C 1.673 176.586 174.900 0.022 0.000 1.150 1004 G CA 1.465 46.539 45.100 -0.044 0.000 0.776 1004 G HN 0.460 nan 8.290 nan 0.000 0.542 1005 T N 0.990 115.555 114.554 0.018 0.000 2.759 1005 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 1005 T C 2.467 177.220 174.700 0.088 0.000 1.042 1005 T CA 1.452 63.570 62.100 0.030 0.000 1.140 1005 T CB -0.446 68.415 68.868 -0.011 0.000 0.864 1005 T HN 0.357 nan 8.240 nan 0.000 0.455 1006 G N 0.746 109.655 108.800 0.181 0.000 2.422 1006 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 1006 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 1006 G C 1.601 176.729 174.900 0.379 0.000 1.140 1006 G CA 0.997 46.370 45.100 0.455 0.000 0.775 1006 G HN 0.487 nan 8.290 nan 0.000 0.545 1007 V N 0.231 120.300 119.914 0.258 0.000 2.374 1007 V HA 0.036 4.156 4.120 -0.000 0.000 0.241 1007 V C 2.615 178.847 176.094 0.229 0.000 1.034 1007 V CA 1.328 63.779 62.300 0.251 0.000 1.037 1007 V CB -0.688 31.319 31.823 0.305 0.000 0.682 1007 V HN 0.267 nan 8.190 nan 0.000 0.463 1008 M N 0.977 120.680 119.600 0.173 0.000 2.124 1008 M HA -0.263 4.217 4.480 -0.000 0.000 0.253 1008 M C 2.106 178.474 176.300 0.113 0.000 1.077 1008 M CA 2.574 57.949 55.300 0.125 0.000 1.085 1008 M CB -0.740 31.894 32.600 0.057 0.000 1.320 1008 M HN 0.549 nan 8.290 nan 0.000 0.404 1009 G N -1.207 107.663 108.800 0.117 0.000 2.433 1009 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 1009 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 1009 G C 1.348 176.311 174.900 0.104 0.000 1.186 1009 G CA 1.016 46.177 45.100 0.103 0.000 0.779 1009 G HN 0.608 nan 8.290 nan 0.000 0.543 1010 G N 0.530 109.412 108.800 0.135 0.000 2.491 1010 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 1010 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 1010 G C 1.857 176.793 174.900 0.061 0.000 1.180 1010 G CA 1.382 46.540 45.100 0.097 0.000 0.774 1010 G HN 0.243 nan 8.290 nan 0.000 0.562 1011 M N 0.210 119.857 119.600 0.078 0.000 2.065 1011 M HA -0.060 4.420 4.480 -0.000 0.000 0.259 1011 M C 2.909 179.238 176.300 0.049 0.000 1.071 1011 M CA 0.863 56.193 55.300 0.049 0.000 1.109 1011 M CB -1.330 31.353 32.600 0.138 0.000 1.313 1011 M HN 0.113 nan 8.290 nan 0.000 0.408 1012 V N 0.178 120.130 119.914 0.064 0.000 2.313 1012 V HA -0.338 3.782 4.120 -0.000 0.000 0.253 1012 V C 2.226 178.343 176.094 0.039 0.000 1.070 1012 V CA 2.415 64.743 62.300 0.046 0.000 1.057 1012 V CB -1.109 30.734 31.823 0.034 0.000 0.653 1012 V HN 0.529 nan 8.190 nan 0.000 0.450 1013 T N -1.205 113.370 114.554 0.035 0.000 3.057 1013 T HA 0.239 4.589 4.350 -0.000 0.000 0.254 1013 T C 1.804 176.523 174.700 0.033 0.000 1.094 1013 T CA 0.821 62.936 62.100 0.026 0.000 1.088 1013 T CB 0.187 69.067 68.868 0.019 0.000 0.934 1013 T HN 0.551 nan 8.240 nan 0.000 0.497 1014 A N 2.135 124.972 122.820 0.027 0.000 1.843 1014 A HA -0.041 4.279 4.320 -0.000 0.000 0.213 1014 A C 2.584 180.187 177.584 0.032 0.000 1.202 1014 A CA 1.948 53.995 52.037 0.017 0.000 0.607 1014 A CB -1.223 17.766 19.000 -0.018 0.000 0.847 1014 A HN 0.545 nan 8.150 nan 0.000 0.445 1015 T N -1.965 112.606 114.554 0.029 0.000 2.668 1015 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 1015 T C 0.893 175.666 174.700 0.122 0.000 1.051 1015 T CA 1.163 63.293 62.100 0.051 0.000 1.155 1015 T CB -1.132 67.750 68.868 0.025 0.000 0.864 1015 T HN 0.091 nan 8.240 nan 0.000 0.413 1016 V N 2.898 122.888 119.914 0.126 0.000 2.180 1016 V HA 0.400 4.520 4.120 -0.000 0.000 0.238 1016 V C 0.636 176.851 176.094 0.201 0.000 1.337 1016 V CA 0.411 62.830 62.300 0.199 0.000 1.338 1016 V CB -0.878 31.034 31.823 0.148 0.000 1.431 1016 V HN 0.562 nan 8.190 nan 0.000 0.498 1017 L N 2.427 123.825 121.223 0.292 0.000 1.242 1017 L HA 0.058 4.398 4.340 -0.000 0.000 0.048 1017 L C 1.817 178.850 176.870 0.271 0.000 1.534 1017 L CA 1.481 56.464 54.840 0.237 0.000 1.113 1017 L CB -0.982 41.140 42.059 0.106 0.000 2.238 1017 L HN 0.291 nan 8.230 nan 0.000 0.436 1018 A N 0.180 123.114 122.820 0.189 0.000 1.825 1018 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 1018 A C 1.908 179.593 177.584 0.168 0.000 1.206 1018 A CA 2.184 54.301 52.037 0.133 0.000 0.609 1018 A CB -0.864 18.166 19.000 0.050 0.000 0.851 1018 A HN 0.514 nan 8.150 nan 0.000 0.445 1019 I N -1.802 118.874 120.570 0.177 0.000 2.236 1019 I HA -0.193 3.976 4.170 -0.000 0.000 0.249 1019 I C 1.360 177.828 176.117 0.585 0.000 1.102 1019 I CA 1.326 62.772 61.300 0.242 0.000 1.365 1019 I CB -0.232 37.872 38.000 0.174 0.000 1.051 1019 I HN 0.435 nan 8.210 nan 0.000 0.420 1020 F N -2.076 118.133 119.950 0.431 0.000 2.750 1020 F HA 0.196 4.723 4.527 -0.000 0.000 0.295 1020 F C 1.516 177.528 175.800 0.354 0.000 1.251 1020 F CA -1.015 57.247 58.000 0.436 0.000 1.043 1020 F CB 0.137 39.435 39.000 0.496 0.000 1.928 1020 F HN -0.024 nan 8.300 nan 0.000 0.526 1021 F N 0.660 120.594 119.950 -0.026 0.000 3.139 1021 F HA -0.374 4.153 4.527 -0.000 0.000 0.275 1021 F C 0.800 176.576 175.800 -0.041 0.000 1.418 1021 F CA 1.424 59.358 58.000 -0.111 0.000 1.635 1021 F CB -1.773 37.178 39.000 -0.082 0.000 0.641 1021 F HN -0.022 nan 8.300 nan 0.000 0.501 1022 V N 1.763 121.808 119.914 0.218 0.000 3.133 1022 V HA 0.131 4.251 4.120 -0.000 0.000 0.305 1022 V C -1.347 174.783 176.094 0.061 0.000 1.084 1022 V CA -1.530 60.769 62.300 -0.002 0.000 1.089 1022 V CB 1.060 32.956 31.823 0.121 0.000 1.073 1022 V HN 0.223 nan 8.190 nan 0.000 0.477 1023 P HA -0.257 nan 4.420 nan 0.000 0.293 1023 P C 0.365 177.775 177.300 0.184 0.000 1.885 1023 P CA 1.947 65.105 63.100 0.096 0.000 1.698 1023 P CB -0.152 31.510 31.700 -0.062 0.000 0.328 1024 V N -3.645 116.308 119.914 0.065 0.000 5.616 1024 V HA -0.267 3.853 4.120 -0.000 0.000 0.301 1024 V C 0.840 176.807 176.094 -0.212 0.000 0.564 1024 V CA 1.854 64.102 62.300 -0.086 0.000 0.653 1024 V CB -2.927 28.821 31.823 -0.125 0.000 0.372 1024 V HN 0.630 nan 8.190 nan 0.000 1.029 1025 F N -4.115 115.914 119.950 0.131 0.000 1.778 1025 F HA -0.136 4.390 4.527 -0.000 0.000 0.253 1025 F C 1.396 177.230 175.800 0.055 0.000 1.274 1025 F CA 0.166 58.219 58.000 0.089 0.000 1.218 1025 F CB -0.889 38.162 39.000 0.086 0.000 2.095 1025 F HN 0.115 nan 8.300 nan 0.000 0.102 1026 F N 2.272 122.342 119.950 0.201 0.000 2.176 1026 F HA -0.276 4.251 4.527 -0.000 0.000 0.301 1026 F C 2.229 178.055 175.800 0.043 0.000 1.071 1026 F CA 2.051 60.092 58.000 0.068 0.000 1.289 1026 F CB -0.791 38.217 39.000 0.013 0.000 1.028 1026 F HN 0.010 nan 8.300 nan 0.000 0.494 1027 V N -1.551 118.488 119.914 0.208 0.000 2.232 1027 V HA -0.265 3.855 4.120 -0.000 0.000 0.237 1027 V C 2.265 178.421 176.094 0.103 0.000 1.035 1027 V CA 1.804 64.167 62.300 0.105 0.000 0.988 1027 V CB -1.715 30.140 31.823 0.053 0.000 0.636 1027 V HN 0.160 nan 8.190 nan 0.000 0.456 1028 V N -0.068 119.906 119.914 0.100 0.000 2.357 1028 V HA -0.290 3.830 4.120 -0.000 0.000 0.257 1028 V C 2.482 178.647 176.094 0.119 0.000 1.082 1028 V CA 2.244 64.587 62.300 0.072 0.000 1.078 1028 V CB -1.702 30.173 31.823 0.087 0.000 0.663 1028 V HN 0.409 nan 8.190 nan 0.000 0.455 1029 V N 1.993 122.016 119.914 0.182 0.000 2.218 1029 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 1029 V C 2.645 178.861 176.094 0.204 0.000 1.057 1029 V CA 3.142 65.571 62.300 0.215 0.000 1.022 1029 V CB -0.798 31.059 31.823 0.057 0.000 0.645 1029 V HN 0.813 nan 8.190 nan 0.000 0.451 1030 R N -0.291 120.283 120.500 0.123 0.000 2.356 1030 R HA 0.190 4.530 4.340 -0.000 0.000 0.234 1030 R C 1.703 178.033 176.300 0.050 0.000 0.929 1030 R CA 0.191 56.346 56.100 0.092 0.000 1.084 1030 R CB -0.045 30.303 30.300 0.081 0.000 1.105 1030 R HN 0.423 nan 8.270 nan 0.000 0.515 1031 R N -0.322 120.200 120.500 0.036 0.000 2.197 1031 R HA 0.233 4.573 4.340 -0.000 0.000 0.188 1031 R C 1.660 177.933 176.300 -0.046 0.000 1.015 1031 R CA -0.392 55.704 56.100 -0.006 0.000 1.132 1031 R CB -0.326 29.998 30.300 0.040 0.000 1.134 1031 R HN -0.004 nan 8.270 nan 0.000 0.560 1032 R N 0.977 121.405 120.500 -0.120 0.000 2.070 1032 R HA -0.003 4.337 4.340 -0.000 0.000 0.233 1032 R C 1.844 177.924 176.300 -0.367 0.000 1.137 1032 R CA 1.746 57.641 56.100 -0.342 0.000 0.945 1032 R CB -0.479 29.415 30.300 -0.676 0.000 0.845 1032 R HN 0.098 nan 8.270 nan 0.000 0.430 1033 F N 0.205 120.169 119.950 0.024 0.000 2.287 1033 F HA 0.042 4.569 4.527 -0.000 0.000 0.276 1033 F C 2.428 178.232 175.800 0.007 0.000 1.047 1033 F CA 1.024 59.032 58.000 0.013 0.000 1.194 1033 F CB -1.296 37.707 39.000 0.005 0.000 1.118 1033 F HN 0.078 nan 8.300 nan 0.000 0.556 1034 S N 1.782 117.610 115.700 0.213 0.000 2.396 1034 S HA -0.426 4.044 4.470 -0.000 0.000 0.476 1034 S C 1.795 176.445 174.600 0.083 0.000 1.048 1034 S CA 2.402 60.668 58.200 0.110 0.000 2.784 1034 S CB -1.218 62.020 63.200 0.063 0.000 2.036 1034 S HN 0.551 nan 8.310 nan 0.000 0.520 1035 R N 3.333 123.870 120.500 0.061 0.000 2.435 1035 R HA 0.429 4.769 4.340 -0.000 0.000 0.221 1035 R C 0.360 176.689 176.300 0.048 0.000 0.885 1035 R CA 0.997 57.124 56.100 0.046 0.000 1.018 1035 R CB -0.267 30.048 30.300 0.025 0.000 1.259 1035 R HN 0.866 nan 8.270 nan 0.000 0.597 1036 K N 0.000 120.427 120.400 0.045 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.309 56.287 0.037 0.000 0.838 1036 K CB 0.000 32.518 32.500 0.029 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543