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 1iwg_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 0.000 176.267 176.300 -0.054 0.000 2.045 7 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 7 D CB 0.000 40.800 40.800 0.000 0.000 0.688 8 R N 0.908 121.360 120.500 -0.080 0.000 2.337 8 R HA 0.522 4.862 4.340 -0.000 0.000 0.319 8 R C -2.116 174.089 176.300 -0.159 0.000 0.954 8 R CA -1.359 54.628 56.100 -0.189 0.000 0.840 8 R CB 2.416 32.506 30.300 -0.349 0.000 1.164 8 R HN 0.071 nan 8.270 nan 0.000 0.472 9 P HA -0.181 nan 4.420 nan 0.000 0.207 9 P C 0.970 178.249 177.300 -0.036 0.000 0.993 9 P CA 0.532 63.578 63.100 -0.090 0.000 0.885 9 P CB -0.003 31.578 31.700 -0.198 0.000 0.600 10 I N -2.133 118.384 120.570 -0.088 0.000 4.794 10 I HA -0.435 3.735 4.170 -0.000 0.000 0.060 10 I C 2.109 178.387 176.117 0.269 0.000 0.642 10 I CA 1.504 62.837 61.300 0.056 0.000 0.443 10 I CB -2.500 35.507 38.000 0.011 0.000 0.434 10 I HN 0.094 nan 8.210 nan 0.000 0.178 11 F N 0.950 120.946 119.950 0.076 0.000 2.080 11 F HA -0.411 4.116 4.527 -0.000 0.000 0.289 11 F C 2.755 178.614 175.800 0.099 0.000 1.101 11 F CA 2.008 60.051 58.000 0.072 0.000 1.267 11 F CB -1.319 37.711 39.000 0.051 0.000 0.943 11 F HN 0.604 nan 8.300 nan 0.000 0.508 12 A N -0.028 122.988 122.820 0.327 0.000 1.852 12 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 12 A C 1.772 179.490 177.584 0.223 0.000 1.215 12 A CA 2.122 54.297 52.037 0.231 0.000 0.641 12 A CB -1.619 17.515 19.000 0.224 0.000 0.838 12 A HN 0.549 nan 8.150 nan 0.000 0.450 13 W N -0.259 121.072 121.300 0.051 0.000 2.321 13 W HA -0.149 4.511 4.660 -0.000 0.000 0.306 13 W C 2.433 178.977 176.519 0.042 0.000 1.217 13 W CA 1.747 59.112 57.345 0.034 0.000 1.257 13 W CB -0.994 28.480 29.460 0.023 0.000 1.145 13 W HN 0.155 nan 8.180 nan 0.000 0.509 14 V N 0.472 120.563 119.914 0.295 0.000 2.392 14 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 14 V C 1.989 178.148 176.094 0.110 0.000 1.059 14 V CA 1.839 64.252 62.300 0.188 0.000 1.051 14 V CB -0.824 31.110 31.823 0.185 0.000 0.658 14 V HN 0.166 nan 8.190 nan 0.000 0.455 15 I N 0.199 120.828 120.570 0.098 0.000 2.252 15 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 15 I C 2.657 178.772 176.117 -0.003 0.000 1.102 15 I CA 1.314 62.638 61.300 0.039 0.000 1.385 15 I CB -0.603 37.419 38.000 0.037 0.000 1.064 15 I HN 0.290 nan 8.210 nan 0.000 0.414 16 A N 1.286 124.086 122.820 -0.032 0.000 1.902 16 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 16 A C 2.297 179.837 177.584 -0.073 0.000 1.181 16 A CA 1.434 53.403 52.037 -0.113 0.000 0.623 16 A CB -0.779 18.057 19.000 -0.273 0.000 0.818 16 A HN 0.367 nan 8.150 nan 0.000 0.443 17 I N -0.217 120.346 120.570 -0.011 0.000 2.163 17 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 17 I C 2.282 178.403 176.117 0.007 0.000 1.085 17 I CA 1.461 62.772 61.300 0.018 0.000 1.347 17 I CB -0.423 37.622 38.000 0.076 0.000 1.044 17 I HN 0.311 nan 8.210 nan 0.000 0.408 18 I N 0.778 121.353 120.570 0.009 0.000 2.264 18 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 18 I C 2.421 178.531 176.117 -0.013 0.000 1.111 18 I CA 1.683 62.984 61.300 0.002 0.000 1.382 18 I CB -0.320 37.681 38.000 0.001 0.000 1.060 18 I HN 0.198 nan 8.210 nan 0.000 0.418 19 I N -0.104 120.449 120.570 -0.028 0.000 2.546 19 I HA -0.243 3.927 4.170 -0.000 0.000 0.255 19 I C 2.492 178.586 176.117 -0.038 0.000 1.163 19 I CA 0.766 62.041 61.300 -0.042 0.000 1.457 19 I CB -0.249 37.711 38.000 -0.067 0.000 1.092 19 I HN 0.231 nan 8.210 nan 0.000 0.434 20 M N 0.389 119.967 119.600 -0.037 0.000 2.117 20 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 20 M C 2.331 178.629 176.300 -0.004 0.000 1.065 20 M CA 1.859 57.142 55.300 -0.027 0.000 1.114 20 M CB -1.013 31.573 32.600 -0.023 0.000 1.361 20 M HN 0.244 nan 8.290 nan 0.000 0.408 21 L N -0.191 121.032 121.223 -0.000 0.000 1.938 21 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 21 L C 2.809 179.684 176.870 0.009 0.000 1.085 21 L CA 1.174 56.017 54.840 0.006 0.000 0.760 21 L CB -1.363 40.699 42.059 0.006 0.000 0.888 21 L HN 0.252 nan 8.230 nan 0.000 0.433 22 A N 0.587 123.408 122.820 0.002 0.000 1.957 22 A HA -0.315 4.005 4.320 -0.000 0.000 0.224 22 A C 2.277 179.872 177.584 0.019 0.000 1.287 22 A CA 2.639 54.676 52.037 0.001 0.000 0.682 22 A CB -1.752 17.241 19.000 -0.013 0.000 0.833 22 A HN 0.606 nan 8.150 nan 0.000 0.482 23 G N -1.448 107.369 108.800 0.028 0.000 2.524 23 G HA2 0.050 4.010 3.960 -0.000 0.000 0.215 23 G HA3 0.050 4.010 3.960 -0.000 0.000 0.215 23 G C 1.648 176.615 174.900 0.113 0.000 1.239 23 G CA 1.326 46.477 45.100 0.086 0.000 0.798 23 G HN 0.946 nan 8.290 nan 0.000 0.557 24 G N 0.611 109.457 108.800 0.077 0.000 2.440 24 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 24 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 24 G C 1.709 176.625 174.900 0.026 0.000 1.154 24 G CA 0.986 46.122 45.100 0.059 0.000 0.767 24 G HN 0.350 nan 8.290 nan 0.000 0.552 25 L N 1.297 122.531 121.223 0.019 0.000 1.989 25 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 25 L C 2.991 179.860 176.870 -0.002 0.000 1.071 25 L CA 2.664 57.507 54.840 0.005 0.000 0.749 25 L CB -1.277 40.785 42.059 0.005 0.000 0.890 25 L HN 0.316 nan 8.230 nan 0.000 0.431 26 A N -0.303 122.521 122.820 0.006 0.000 2.024 26 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 26 A C 2.169 179.726 177.584 -0.045 0.000 1.164 26 A CA 1.823 53.856 52.037 -0.007 0.000 0.643 26 A CB -0.619 18.391 19.000 0.016 0.000 0.806 26 A HN 0.482 nan 8.150 nan 0.000 0.451 27 I N -0.220 120.318 120.570 -0.054 0.000 2.233 27 I HA -0.093 4.077 4.170 -0.000 0.000 0.243 27 I C 1.429 177.491 176.117 -0.093 0.000 1.093 27 I CA 0.966 62.187 61.300 -0.132 0.000 1.380 27 I CB -0.191 37.736 38.000 -0.122 0.000 1.067 27 I HN 0.267 nan 8.210 nan 0.000 0.413 28 L N 0.766 121.958 121.223 -0.051 0.000 2.873 28 L HA 0.029 4.369 4.340 -0.000 0.000 0.252 28 L C 0.983 177.833 176.870 -0.035 0.000 1.266 28 L CA 0.523 55.340 54.840 -0.039 0.000 1.111 28 L CB -0.754 41.292 42.059 -0.022 0.000 1.440 28 L HN 0.274 nan 8.230 nan 0.000 0.427 29 K N 0.174 120.547 120.400 -0.045 0.000 2.668 29 K HA 0.126 4.446 4.320 -0.000 0.000 0.142 29 K C -1.043 175.533 176.600 -0.041 0.000 1.271 29 K CA -0.265 56.002 56.287 -0.034 0.000 1.123 29 K CB 0.539 33.026 32.500 -0.021 0.000 1.100 29 K HN 0.127 nan 8.250 nan 0.000 0.438 30 L N 1.978 123.161 121.223 -0.067 0.000 2.365 30 L HA 0.613 4.953 4.340 -0.000 0.000 0.273 30 L C -2.695 174.123 176.870 -0.087 0.000 1.000 30 L CA -1.850 52.944 54.840 -0.077 0.000 0.819 30 L CB 1.479 43.464 42.059 -0.123 0.000 1.284 30 L HN -0.105 nan 8.230 nan 0.000 0.418 31 P HA 0.083 nan 4.420 nan 0.000 0.267 31 P C 0.162 177.404 177.300 -0.096 0.000 1.209 31 P CA -0.122 62.942 63.100 -0.060 0.000 0.763 31 P CB 0.647 32.328 31.700 -0.031 0.000 0.816 32 V N 0.217 120.072 119.914 -0.099 0.000 3.376 32 V HA 0.480 4.600 4.120 -0.000 0.000 0.313 32 V C 0.794 176.820 176.094 -0.112 0.000 1.393 32 V CA -0.024 62.199 62.300 -0.129 0.000 1.125 32 V CB -0.734 31.011 31.823 -0.129 0.000 1.037 32 V HN 0.466 nan 8.190 nan 0.000 0.440 33 A N 0.824 123.598 122.820 -0.077 0.000 2.297 33 A HA 0.354 4.674 4.320 -0.000 0.000 0.279 33 A C 1.065 178.602 177.584 -0.077 0.000 1.219 33 A CA 0.313 52.321 52.037 -0.049 0.000 0.827 33 A CB -0.031 18.962 19.000 -0.012 0.000 1.129 33 A HN 0.542 nan 8.150 nan 0.000 0.511 34 Q N -1.380 118.411 119.800 -0.015 0.000 2.591 34 Q HA 0.142 4.482 4.340 -0.000 0.000 0.204 34 Q C -0.368 175.613 176.000 -0.032 0.000 1.148 34 Q CA 0.262 56.057 55.803 -0.013 0.000 0.981 34 Q CB -0.529 28.349 28.738 0.234 0.000 3.255 34 Q HN 0.606 nan 8.270 nan 0.000 0.512 35 Y N 1.254 121.531 120.300 -0.039 0.000 2.607 35 Y HA 0.021 4.571 4.550 -0.000 0.000 0.348 35 Y C -1.499 174.375 175.900 -0.044 0.000 1.261 35 Y CA -1.062 57.010 58.100 -0.046 0.000 1.480 35 Y CB -1.035 37.430 38.460 0.009 0.000 1.358 35 Y HN 0.343 nan 8.280 nan 0.000 0.630 36 P HA 0.036 nan 4.420 nan 0.000 0.278 36 P C -0.672 176.658 177.300 0.050 0.000 1.238 36 P CA -0.460 62.647 63.100 0.011 0.000 0.794 36 P CB 0.615 32.260 31.700 -0.092 0.000 0.955 37 T N 3.343 117.919 114.554 0.037 0.000 2.666 37 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 37 T C 1.482 176.210 174.700 0.046 0.000 1.009 37 T CA 0.666 62.794 62.100 0.046 0.000 1.238 37 T CB -0.617 68.277 68.868 0.042 0.000 0.969 37 T HN 0.280 nan 8.240 nan 0.000 0.515 38 I N 1.966 122.569 120.570 0.054 0.000 2.900 38 I HA 0.215 4.385 4.170 -0.000 0.000 0.251 38 I C 1.722 177.865 176.117 0.043 0.000 1.102 38 I CA -0.240 61.092 61.300 0.054 0.000 1.457 38 I CB -0.374 37.666 38.000 0.066 0.000 1.285 38 I HN 0.554 nan 8.210 nan 0.000 0.459 39 A N 2.758 125.599 122.820 0.036 0.000 2.565 39 A HA 0.162 4.482 4.320 -0.000 0.000 0.237 39 A C -2.257 175.362 177.584 0.058 0.000 1.053 39 A CA -0.547 51.514 52.037 0.040 0.000 0.755 39 A CB -0.978 18.046 19.000 0.040 0.000 0.980 39 A HN 0.074 nan 8.150 nan 0.000 0.506 40 P HA 0.244 nan 4.420 nan 0.000 0.268 40 P C -2.422 174.935 177.300 0.095 0.000 1.204 40 P CA -0.697 62.451 63.100 0.080 0.000 0.768 40 P CB -0.055 31.693 31.700 0.079 0.000 0.842 41 P HA 0.103 nan 4.420 nan 0.000 0.260 41 P C -0.832 176.567 177.300 0.166 0.000 1.172 41 P CA 0.927 64.082 63.100 0.092 0.000 0.760 41 P CB 0.218 31.948 31.700 0.050 0.000 0.773 42 A N 3.231 126.139 122.820 0.147 0.000 2.414 42 A HA 0.672 4.992 4.320 -0.000 0.000 0.306 42 A C -1.004 176.680 177.584 0.167 0.000 1.054 42 A CA -0.550 51.613 52.037 0.211 0.000 0.724 42 A CB 1.432 20.535 19.000 0.171 0.000 1.267 42 A HN 0.296 nan 8.150 nan 0.000 0.418 43 V N 1.211 121.267 119.914 0.237 0.000 2.680 43 V HA 0.735 4.855 4.120 -0.000 0.000 0.309 43 V C -0.062 176.125 176.094 0.156 0.000 1.052 43 V CA -0.437 61.960 62.300 0.162 0.000 0.908 43 V CB 2.033 33.954 31.823 0.164 0.000 1.001 43 V HN 0.962 nan 8.190 nan 0.000 0.431 44 T N 4.767 119.384 114.554 0.106 0.000 2.863 44 T HA 0.701 5.051 4.350 -0.000 0.000 0.285 44 T C -0.508 174.233 174.700 0.068 0.000 1.009 44 T CA -0.299 61.856 62.100 0.091 0.000 0.989 44 T CB 1.597 70.516 68.868 0.085 0.000 1.004 44 T HN 0.434 nan 8.240 nan 0.000 0.455 45 I N 2.300 122.906 120.570 0.060 0.000 2.390 45 I HA 0.340 4.510 4.170 -0.000 0.000 0.283 45 I C -0.026 176.110 176.117 0.033 0.000 1.016 45 I CA -0.576 60.749 61.300 0.042 0.000 1.151 45 I CB 1.391 39.415 38.000 0.040 0.000 1.293 45 I HN 0.481 nan 8.210 nan 0.000 0.458 46 S N 5.033 120.746 115.700 0.023 0.000 2.442 46 S HA 0.793 5.263 4.470 -0.000 0.000 0.297 46 S C -0.135 174.468 174.600 0.005 0.000 1.131 46 S CA -0.607 57.602 58.200 0.015 0.000 1.092 46 S CB 1.688 64.893 63.200 0.008 0.000 0.998 46 S HN 0.716 nan 8.310 nan 0.000 0.478 47 A N 2.254 125.079 122.820 0.008 0.000 2.374 47 A HA 0.800 5.120 4.320 -0.000 0.000 0.305 47 A C -0.211 177.384 177.584 0.019 0.000 1.053 47 A CA -0.656 51.383 52.037 0.003 0.000 0.726 47 A CB 1.723 20.724 19.000 0.001 0.000 1.229 47 A HN 0.616 nan 8.150 nan 0.000 0.431 48 S N 0.780 116.490 115.700 0.017 0.000 2.718 48 S HA 0.809 5.279 4.470 -0.000 0.000 0.300 48 S C -1.150 173.528 174.600 0.129 0.000 1.117 48 S CA -0.395 57.839 58.200 0.056 0.000 1.002 48 S CB 1.129 64.345 63.200 0.027 0.000 1.092 48 S HN 0.960 nan 8.310 nan 0.000 0.542 49 Y N 1.681 121.979 120.300 -0.004 0.000 2.389 49 Y HA 0.258 4.808 4.550 -0.000 0.000 0.333 49 Y C -2.726 173.183 175.900 0.016 0.000 1.168 49 Y CA -2.034 56.070 58.100 0.008 0.000 1.383 49 Y CB 1.133 39.596 38.460 0.005 0.000 1.146 49 Y HN 0.515 nan 8.280 nan 0.000 0.503 50 P HA -0.080 nan 4.420 nan 0.000 0.252 50 P C 0.801 178.104 177.300 0.005 0.000 1.136 50 P CA 3.053 66.230 63.100 0.128 0.000 0.778 50 P CB 0.230 32.047 31.700 0.195 0.000 0.722 51 G N 3.111 111.890 108.800 -0.035 0.000 2.550 51 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.233 51 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.233 51 G C 0.592 175.393 174.900 -0.166 0.000 1.170 51 G CA 0.142 45.196 45.100 -0.076 0.000 0.693 51 G HN 0.862 nan 8.290 nan 0.000 0.512 52 A N 1.729 124.336 122.820 -0.355 0.000 2.630 52 A HA 0.348 4.668 4.320 -0.000 0.000 0.231 52 A C 0.787 178.237 177.584 -0.223 0.000 1.023 52 A CA 1.498 53.245 52.037 -0.483 0.000 0.773 52 A CB -0.095 18.363 19.000 -0.904 0.000 0.923 52 A HN 1.315 nan 8.150 nan 0.000 0.497 53 D N 1.187 121.479 120.400 -0.179 0.000 2.387 53 D HA 0.477 5.117 4.640 -0.000 0.000 0.255 53 D C 1.107 177.365 176.300 -0.069 0.000 1.081 53 D CA 0.016 53.956 54.000 -0.100 0.000 0.994 53 D CB 1.387 42.132 40.800 -0.092 0.000 1.127 53 D HN 0.533 nan 8.370 nan 0.000 0.513 54 A N 1.244 124.037 122.820 -0.045 0.000 1.971 54 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 54 A C 1.958 179.518 177.584 -0.040 0.000 1.182 54 A CA 2.088 54.104 52.037 -0.035 0.000 0.649 54 A CB -0.550 18.428 19.000 -0.037 0.000 0.818 54 A HN 0.569 nan 8.150 nan 0.000 0.458 55 K N -0.678 119.694 120.400 -0.047 0.000 1.984 55 K HA -0.015 4.305 4.320 -0.000 0.000 0.209 55 K C 2.137 178.726 176.600 -0.018 0.000 1.046 55 K CA 1.769 58.032 56.287 -0.039 0.000 0.934 55 K CB -1.194 31.283 32.500 -0.039 0.000 0.717 55 K HN 0.459 nan 8.250 nan 0.000 0.438 56 T N 1.358 115.896 114.554 -0.028 0.000 2.516 56 T HA -0.210 4.140 4.350 -0.000 0.000 0.261 56 T C 1.950 176.693 174.700 0.072 0.000 1.130 56 T CA 2.626 64.728 62.100 0.003 0.000 1.193 56 T CB -0.849 67.971 68.868 -0.080 0.000 0.864 56 T HN 0.154 nan 8.240 nan 0.000 0.410 57 V N 1.152 121.114 119.914 0.081 0.000 2.317 57 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 57 V C 2.480 178.625 176.094 0.084 0.000 1.065 57 V CA 2.294 64.685 62.300 0.153 0.000 1.049 57 V CB -1.147 30.749 31.823 0.122 0.000 0.651 57 V HN 0.380 nan 8.190 nan 0.000 0.450 58 Q N 2.043 121.867 119.800 0.040 0.000 2.152 58 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 58 Q C 1.163 177.177 176.000 0.024 0.000 0.985 58 Q CA 2.452 58.268 55.803 0.020 0.000 0.863 58 Q CB -0.316 28.418 28.738 -0.007 0.000 0.904 58 Q HN 1.041 nan 8.270 nan 0.000 0.422 59 D N -2.122 118.297 120.400 0.032 0.000 2.804 59 D HA 0.123 4.763 4.640 -0.000 0.000 0.308 59 D C 0.515 176.840 176.300 0.042 0.000 1.371 59 D CA -0.016 54.001 54.000 0.029 0.000 0.823 59 D CB 0.386 41.197 40.800 0.019 0.000 1.126 59 D HN 0.006 nan 8.370 nan 0.000 0.467 60 T N -1.718 112.874 114.554 0.063 0.000 3.098 60 T HA 0.130 4.480 4.350 -0.000 0.000 0.256 60 T C 1.035 175.753 174.700 0.030 0.000 0.921 60 T CA 0.673 62.818 62.100 0.074 0.000 0.916 60 T CB 0.309 69.285 68.868 0.180 0.000 1.246 60 T HN -0.019 nan 8.240 nan 0.000 0.511 61 V N 0.690 120.631 119.914 0.044 0.000 3.219 61 V HA 0.185 4.305 4.120 -0.000 0.000 0.240 61 V C 2.388 178.487 176.094 0.010 0.000 1.222 61 V CA 1.107 63.407 62.300 0.000 0.000 1.181 61 V CB 0.204 32.035 31.823 0.013 0.000 0.941 61 V HN 0.337 nan 8.190 nan 0.000 0.471 62 T N -0.023 114.547 114.554 0.027 0.000 2.634 62 T HA -0.174 4.176 4.350 -0.000 0.000 0.243 62 T C 1.811 176.517 174.700 0.010 0.000 1.121 62 T CA 1.461 63.573 62.100 0.020 0.000 1.315 62 T CB -0.385 68.497 68.868 0.024 0.000 0.944 62 T HN 0.342 nan 8.240 nan 0.000 0.402 63 Q N 0.408 120.215 119.800 0.011 0.000 2.250 63 Q HA -0.197 4.142 4.340 -0.000 0.000 0.215 63 Q C 2.436 178.436 176.000 0.001 0.000 1.002 63 Q CA 1.686 57.492 55.803 0.005 0.000 0.910 63 Q CB -0.874 27.869 28.738 0.007 0.000 0.939 63 Q HN 0.339 nan 8.270 nan 0.000 0.416 64 V N 0.812 120.726 119.914 0.001 0.000 2.255 64 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 64 V C 2.185 178.275 176.094 -0.006 0.000 1.051 64 V CA 1.897 64.194 62.300 -0.005 0.000 1.018 64 V CB -0.573 31.244 31.823 -0.010 0.000 0.641 64 V HN 0.336 nan 8.190 nan 0.000 0.445 65 I N -0.178 120.389 120.570 -0.005 0.000 2.076 65 I HA -0.257 3.913 4.170 -0.000 0.000 0.237 65 I C 2.672 178.786 176.117 -0.004 0.000 1.059 65 I CA 1.864 63.162 61.300 -0.003 0.000 1.317 65 I CB -0.643 37.357 38.000 0.001 0.000 1.037 65 I HN 0.378 nan 8.210 nan 0.000 0.398 66 E N 0.601 120.798 120.200 -0.005 0.000 2.113 66 E HA -0.356 3.994 4.350 -0.000 0.000 0.210 66 E C 2.190 178.781 176.600 -0.015 0.000 1.040 66 E CA 1.880 58.273 56.400 -0.012 0.000 0.847 66 E CB -0.366 29.326 29.700 -0.013 0.000 0.755 66 E HN 0.593 nan 8.360 nan 0.000 0.459 67 Q N 0.255 120.048 119.800 -0.012 0.000 2.061 67 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 67 Q C 1.712 177.705 176.000 -0.011 0.000 0.984 67 Q CA 1.105 56.901 55.803 -0.012 0.000 0.846 67 Q CB -0.291 28.442 28.738 -0.009 0.000 0.902 67 Q HN 0.338 nan 8.270 nan 0.000 0.421 68 N N -0.141 118.555 118.700 -0.008 0.000 2.571 68 N HA -0.027 4.713 4.740 -0.000 0.000 0.189 68 N C -0.227 175.281 175.510 -0.004 0.000 1.154 68 N CA -0.243 52.803 53.050 -0.006 0.000 0.907 68 N CB 0.175 38.659 38.487 -0.005 0.000 0.977 68 N HN 0.067 nan 8.380 nan 0.000 0.449 69 M N 2.187 121.782 119.600 -0.008 0.000 2.103 69 M HA 0.178 4.658 4.480 -0.000 0.000 0.350 69 M C -1.388 174.901 176.300 -0.018 0.000 1.100 69 M CA -0.387 54.909 55.300 -0.007 0.000 1.042 69 M CB 0.164 32.759 32.600 -0.009 0.000 1.368 69 M HN 0.037 nan 8.290 nan 0.000 0.404 70 N N 2.492 121.184 118.700 -0.012 0.000 3.049 70 N HA 0.488 5.228 4.740 -0.000 0.000 0.244 70 N C -0.336 175.169 175.510 -0.009 0.000 1.203 70 N CA -0.107 52.931 53.050 -0.020 0.000 0.945 70 N CB 0.938 39.412 38.487 -0.022 0.000 1.616 70 N HN 0.670 nan 8.380 nan 0.000 0.505 71 G N 0.719 109.512 108.800 -0.011 0.000 2.207 71 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 71 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 71 G C -0.704 174.207 174.900 0.018 0.000 1.053 71 G CA -0.011 45.089 45.100 0.000 0.000 0.764 71 G HN 0.649 nan 8.290 nan 0.000 0.495 72 I N 1.478 122.062 120.570 0.023 0.000 2.328 72 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 72 I C -0.121 176.052 176.117 0.092 0.000 1.012 72 I CA -0.995 60.353 61.300 0.079 0.000 1.195 72 I CB 0.915 38.990 38.000 0.124 0.000 1.350 72 I HN -0.001 nan 8.210 nan 0.000 0.464 73 D N 7.772 128.231 120.400 0.099 0.000 2.662 73 D HA -0.074 4.566 4.640 -0.000 0.000 0.233 73 D C 0.050 176.442 176.300 0.154 0.000 1.129 73 D CA 1.058 55.113 54.000 0.091 0.000 0.851 73 D CB 0.160 41.004 40.800 0.073 0.000 1.152 73 D HN 0.508 nan 8.370 nan 0.000 0.507 74 N N 0.684 119.435 118.700 0.085 0.000 4.130 74 N HA -0.202 4.538 4.740 -0.000 0.000 0.321 74 N C -0.987 174.505 175.510 -0.030 0.000 2.142 74 N CA 0.333 53.432 53.050 0.082 0.000 3.058 74 N CB -0.215 38.381 38.487 0.182 0.000 0.279 74 N HN 0.476 nan 8.380 nan 0.000 0.820 75 L N 1.918 123.013 121.223 -0.214 0.000 3.729 75 L HA 0.174 4.514 4.340 -0.000 0.000 0.263 75 L C 0.072 176.699 176.870 -0.405 0.000 0.992 75 L CA -0.288 54.233 54.840 -0.531 0.000 1.118 75 L CB 0.852 42.577 42.059 -0.556 0.000 1.885 75 L HN 0.737 nan 8.230 nan 0.000 0.531 76 M N 2.877 122.140 119.600 -0.562 0.000 2.299 76 M HA 0.207 4.686 4.480 -0.000 0.000 0.264 76 M C -0.551 175.416 176.300 -0.554 0.000 1.095 76 M CA 1.388 56.307 55.300 -0.634 0.000 1.165 76 M CB 0.153 32.119 32.600 -1.056 0.000 1.349 76 M HN 0.644 nan 8.290 nan 0.000 0.446 77 Y N -2.751 117.443 120.300 -0.177 0.000 2.871 77 Y HA 0.643 5.193 4.550 -0.000 0.000 0.331 77 Y C -0.941 174.808 175.900 -0.252 0.000 1.378 77 Y CA -2.354 55.604 58.100 -0.237 0.000 1.079 77 Y CB 0.964 39.294 38.460 -0.215 0.000 1.441 77 Y HN -0.029 nan 8.280 nan 0.000 0.446 78 M N 2.938 122.503 119.600 -0.059 0.000 2.150 78 M HA 0.502 4.982 4.480 -0.000 0.000 0.255 78 M C -1.538 174.705 176.300 -0.095 0.000 0.963 78 M CA -0.391 54.869 55.300 -0.067 0.000 1.033 78 M CB 1.281 33.816 32.600 -0.108 0.000 2.007 78 M HN 0.887 nan 8.290 nan 0.000 0.462 79 S N 2.678 118.391 115.700 0.021 0.000 2.616 79 S HA 0.776 5.246 4.470 -0.000 0.000 0.277 79 S C -0.377 174.256 174.600 0.056 0.000 1.234 79 S CA -0.587 57.655 58.200 0.070 0.000 1.028 79 S CB 1.944 65.223 63.200 0.133 0.000 0.988 79 S HN 0.688 nan 8.310 nan 0.000 0.522 80 S N 1.104 116.840 115.700 0.060 0.000 2.547 80 S HA 0.622 5.092 4.470 -0.000 0.000 0.281 80 S C -1.780 172.849 174.600 0.048 0.000 1.118 80 S CA -0.807 57.420 58.200 0.045 0.000 0.947 80 S CB 0.601 63.818 63.200 0.028 0.000 1.053 80 S HN 0.777 nan 8.310 nan 0.000 0.482 81 N N 1.745 120.471 118.700 0.044 0.000 2.461 81 N HA 0.416 5.156 4.740 -0.000 0.000 0.284 81 N C -1.630 173.900 175.510 0.033 0.000 1.049 81 N CA -0.444 52.630 53.050 0.041 0.000 0.889 81 N CB 2.019 40.537 38.487 0.051 0.000 1.365 81 N HN 0.358 nan 8.380 nan 0.000 0.499 82 S N 1.223 116.936 115.700 0.022 0.000 2.512 82 S HA 0.263 4.733 4.470 -0.000 0.000 0.291 82 S C -0.771 173.837 174.600 0.012 0.000 1.151 82 S CA -0.829 57.382 58.200 0.018 0.000 1.120 82 S CB 0.234 63.439 63.200 0.008 0.000 1.029 82 S HN 0.362 nan 8.310 nan 0.000 0.485 83 D N 2.206 122.619 120.400 0.020 0.000 2.350 83 D HA 0.067 4.707 4.640 -0.000 0.000 0.249 83 D C 1.321 177.626 176.300 0.008 0.000 1.119 83 D CA 0.002 54.013 54.000 0.018 0.000 0.886 83 D CB 1.421 42.235 40.800 0.024 0.000 1.195 83 D HN 0.520 nan 8.370 nan 0.000 0.437 84 S N 0.793 116.496 115.700 0.004 0.000 2.462 84 S HA -0.172 4.298 4.470 -0.000 0.000 0.243 84 S C 1.474 176.068 174.600 -0.010 0.000 1.003 84 S CA 0.988 59.184 58.200 -0.007 0.000 0.970 84 S CB -0.371 62.830 63.200 0.002 0.000 0.762 84 S HN 0.455 nan 8.310 nan 0.000 0.510 85 T N 1.627 116.182 114.554 0.001 0.000 3.155 85 T HA 0.310 4.660 4.350 -0.000 0.000 0.264 85 T C 1.231 175.928 174.700 -0.004 0.000 1.160 85 T CA 0.649 62.749 62.100 -0.000 0.000 1.075 85 T CB -0.942 67.927 68.868 0.003 0.000 0.921 85 T HN 1.016 nan 8.240 nan 0.000 0.533 86 G N 2.691 111.487 108.800 -0.007 0.000 2.256 86 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.272 86 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.272 86 G C 0.148 175.082 174.900 0.056 0.000 1.076 86 G CA 0.178 45.281 45.100 0.004 0.000 0.882 86 G HN 0.870 nan 8.290 nan 0.000 0.497 87 T N -3.368 111.211 114.554 0.042 0.000 3.050 87 T HA 0.642 4.992 4.350 -0.000 0.000 0.310 87 T C -0.290 174.433 174.700 0.037 0.000 0.978 87 T CA -0.148 61.977 62.100 0.041 0.000 1.013 87 T CB 2.112 70.990 68.868 0.016 0.000 1.000 87 T HN 1.411 nan 8.240 nan 0.000 0.447 88 V N 2.517 122.457 119.914 0.044 0.000 2.834 88 V HA 0.756 4.876 4.120 -0.000 0.000 0.313 88 V C -0.733 175.381 176.094 0.033 0.000 1.060 88 V CA -0.598 61.725 62.300 0.038 0.000 0.989 88 V CB 1.801 33.648 31.823 0.040 0.000 1.041 88 V HN 1.115 nan 8.190 nan 0.000 0.459 89 Q N 4.105 123.927 119.800 0.037 0.000 3.345 89 Q HA 0.360 4.700 4.340 -0.000 0.000 0.204 89 Q C -1.733 174.296 176.000 0.049 0.000 0.847 89 Q CA -0.556 55.272 55.803 0.041 0.000 0.780 89 Q CB 0.912 29.677 28.738 0.045 0.000 1.426 89 Q HN 0.735 nan 8.270 nan 0.000 0.460 90 I N 1.751 122.347 120.570 0.043 0.000 2.588 90 I HA 0.242 4.412 4.170 -0.000 0.000 0.283 90 I C 0.333 176.487 176.117 0.062 0.000 1.119 90 I CA 0.639 61.966 61.300 0.045 0.000 1.419 90 I CB 1.519 39.538 38.000 0.031 0.000 1.394 90 I HN 0.347 nan 8.210 nan 0.000 0.562 91 T N 6.877 121.474 114.554 0.072 0.000 2.861 91 T HA 0.722 5.072 4.350 -0.000 0.000 0.287 91 T C -0.741 174.015 174.700 0.093 0.000 1.003 91 T CA -0.481 61.678 62.100 0.099 0.000 0.977 91 T CB 1.152 70.090 68.868 0.118 0.000 0.996 91 T HN 0.131 nan 8.240 nan 0.000 0.448 92 L N 2.829 124.113 121.223 0.101 0.000 2.372 92 L HA 0.480 4.820 4.340 -0.000 0.000 0.274 92 L C 0.262 177.136 176.870 0.008 0.000 0.988 92 L CA -0.461 54.368 54.840 -0.018 0.000 0.833 92 L CB 1.810 43.804 42.059 -0.109 0.000 1.236 92 L HN 0.591 nan 8.230 nan 0.000 0.410 93 T N 3.329 117.818 114.554 -0.109 0.000 2.744 93 T HA 0.580 4.930 4.350 -0.000 0.000 0.291 93 T C -0.270 174.257 174.700 -0.287 0.000 0.957 93 T CA -0.161 61.902 62.100 -0.062 0.000 1.002 93 T CB 0.095 68.954 68.868 -0.014 0.000 0.919 93 T HN 0.024 nan 8.240 nan 0.000 0.468 94 F N 1.644 121.530 119.950 -0.106 0.000 2.377 94 F HA 0.335 4.862 4.527 -0.000 0.000 0.328 94 F C 1.164 176.911 175.800 -0.087 0.000 1.094 94 F CA -1.387 56.553 58.000 -0.101 0.000 1.093 94 F CB 0.537 39.507 39.000 -0.050 0.000 1.214 94 F HN 0.360 nan 8.300 nan 0.000 0.518 95 E N 0.492 120.742 120.200 0.082 0.000 2.568 95 E HA -0.109 4.241 4.350 -0.000 0.000 0.262 95 E C 0.106 176.755 176.600 0.082 0.000 0.961 95 E CA 0.048 56.475 56.400 0.046 0.000 0.945 95 E CB 0.463 30.186 29.700 0.039 0.000 0.924 95 E HN 0.512 nan 8.360 nan 0.000 0.467 96 S N 1.324 117.065 115.700 0.069 0.000 2.575 96 S HA 0.218 4.688 4.470 -0.000 0.000 0.295 96 S C 1.166 175.818 174.600 0.088 0.000 1.267 96 S CA 0.940 59.190 58.200 0.082 0.000 1.074 96 S CB -0.121 63.131 63.200 0.087 0.000 0.829 96 S HN 0.674 nan 8.310 nan 0.000 0.497 97 G N 3.462 112.312 108.800 0.083 0.000 2.307 97 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.210 97 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.210 97 G C 0.262 175.196 174.900 0.057 0.000 1.005 97 G CA -0.005 45.143 45.100 0.080 0.000 0.634 97 G HN 0.899 nan 8.290 nan 0.000 0.496 98 T N 3.220 117.808 114.554 0.057 0.000 2.871 98 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 98 T C -0.053 174.633 174.700 -0.023 0.000 0.998 98 T CA 0.290 62.407 62.100 0.029 0.000 1.162 98 T CB 0.689 69.597 68.868 0.067 0.000 0.947 98 T HN 0.269 nan 8.240 nan 0.000 0.536 99 D N 3.131 123.510 120.400 -0.035 0.000 2.368 99 D HA 0.117 4.757 4.640 -0.000 0.000 0.268 99 D C 1.280 177.508 176.300 -0.119 0.000 1.298 99 D CA -0.038 53.930 54.000 -0.053 0.000 0.938 99 D CB 0.780 41.557 40.800 -0.038 0.000 1.101 99 D HN 0.646 nan 8.370 nan 0.000 0.509 100 A N 4.135 126.884 122.820 -0.117 0.000 1.958 100 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 100 A C 1.767 179.251 177.584 -0.167 0.000 1.178 100 A CA 1.369 53.301 52.037 -0.174 0.000 0.642 100 A CB -0.032 18.910 19.000 -0.097 0.000 0.816 100 A HN 0.498 nan 8.150 nan 0.000 0.453 101 D N -0.458 119.880 120.400 -0.103 0.000 2.108 101 D HA -0.179 4.461 4.640 -0.000 0.000 0.190 101 D C 1.816 178.058 176.300 -0.098 0.000 0.995 101 D CA 1.801 55.753 54.000 -0.080 0.000 0.834 101 D CB -0.469 40.301 40.800 -0.049 0.000 0.967 101 D HN 0.437 nan 8.370 nan 0.000 0.446 102 I N 1.119 121.631 120.570 -0.097 0.000 2.286 102 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 102 I C 2.159 178.191 176.117 -0.142 0.000 1.115 102 I CA 1.021 62.267 61.300 -0.089 0.000 1.392 102 I CB -0.396 37.567 38.000 -0.062 0.000 1.065 102 I HN -0.062 nan 8.210 nan 0.000 0.418 103 A N -0.235 122.426 122.820 -0.264 0.000 1.865 103 A HA -0.317 4.002 4.320 -0.000 0.000 0.217 103 A C 2.385 179.729 177.584 -0.400 0.000 1.191 103 A CA 2.091 53.810 52.037 -0.529 0.000 0.623 103 A CB -1.028 17.325 19.000 -1.078 0.000 0.826 103 A HN 0.634 nan 8.150 nan 0.000 0.444 104 Q N -0.076 119.545 119.800 -0.298 0.000 2.061 104 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 104 Q C 2.032 177.991 176.000 -0.069 0.000 0.984 104 Q CA 2.472 58.189 55.803 -0.144 0.000 0.846 104 Q CB -0.374 28.305 28.738 -0.098 0.000 0.902 104 Q HN 0.410 nan 8.270 nan 0.000 0.421 105 V N 1.419 121.291 119.914 -0.069 0.000 2.250 105 V HA -0.368 3.752 4.120 -0.000 0.000 0.250 105 V C 2.436 178.522 176.094 -0.013 0.000 1.060 105 V CA 2.485 64.765 62.300 -0.034 0.000 1.030 105 V CB -0.923 30.879 31.823 -0.035 0.000 0.643 105 V HN 0.478 nan 8.190 nan 0.000 0.445 106 Q N -0.606 119.188 119.800 -0.010 0.000 1.948 106 Q HA -0.203 4.137 4.340 -0.000 0.000 0.205 106 Q C 2.396 178.434 176.000 0.062 0.000 0.992 106 Q CA 1.996 57.818 55.803 0.033 0.000 0.849 106 Q CB -0.795 27.981 28.738 0.064 0.000 0.918 106 Q HN 0.496 nan 8.270 nan 0.000 0.421 107 V N 1.444 121.427 119.914 0.115 0.000 2.764 107 V HA -0.274 3.846 4.120 -0.000 0.000 0.261 107 V C 1.770 177.910 176.094 0.077 0.000 1.108 107 V CA 2.408 64.795 62.300 0.145 0.000 1.129 107 V CB -0.392 31.591 31.823 0.267 0.000 0.701 107 V HN 0.539 nan 8.190 nan 0.000 0.495 108 Q N -2.264 117.562 119.800 0.044 0.000 2.189 108 Q HA 0.203 4.543 4.340 -0.000 0.000 0.223 108 Q C 1.156 177.165 176.000 0.015 0.000 0.828 108 Q CA 0.362 56.181 55.803 0.026 0.000 0.967 108 Q CB -0.000 28.747 28.738 0.016 0.000 1.139 108 Q HN 0.455 nan 8.270 nan 0.000 0.497 109 N N -0.091 118.619 118.700 0.017 0.000 2.205 109 N HA 0.116 4.856 4.740 -0.000 0.000 0.201 109 N C 0.675 176.191 175.510 0.011 0.000 1.128 109 N CA 0.100 53.156 53.050 0.010 0.000 0.867 109 N CB 0.585 39.077 38.487 0.007 0.000 0.996 109 N HN 0.095 nan 8.380 nan 0.000 0.503 110 K N 0.719 121.129 120.400 0.016 0.000 2.335 110 K HA 0.216 4.536 4.320 -0.000 0.000 0.195 110 K C 1.748 178.354 176.600 0.009 0.000 1.058 110 K CA -0.100 56.195 56.287 0.013 0.000 0.988 110 K CB 0.279 32.790 32.500 0.019 0.000 0.880 110 K HN 0.151 nan 8.250 nan 0.000 0.513 111 L N 1.424 122.654 121.223 0.011 0.000 2.141 111 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 111 L C 2.504 179.373 176.870 -0.001 0.000 1.094 111 L CA 1.356 56.199 54.840 0.006 0.000 0.763 111 L CB -0.102 41.962 42.059 0.009 0.000 0.908 111 L HN 0.240 nan 8.230 nan 0.000 0.437 112 Q N -0.019 119.781 119.800 0.000 0.000 2.226 112 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 112 Q C 1.945 177.943 176.000 -0.005 0.000 0.975 112 Q CA 1.347 57.148 55.803 -0.004 0.000 0.866 112 Q CB -0.052 28.685 28.738 -0.002 0.000 0.915 112 Q HN 0.633 nan 8.270 nan 0.000 0.440 113 L N -0.538 120.684 121.223 -0.003 0.000 2.558 113 L HA 0.119 4.459 4.340 -0.000 0.000 0.225 113 L C 2.018 178.884 176.870 -0.006 0.000 1.128 113 L CA 0.407 55.245 54.840 -0.004 0.000 0.868 113 L CB -0.123 41.936 42.059 -0.001 0.000 1.006 113 L HN 0.204 nan 8.230 nan 0.000 0.454 114 A N -0.609 122.207 122.820 -0.007 0.000 1.963 114 A HA 0.013 4.333 4.320 -0.000 0.000 0.207 114 A C 2.237 179.811 177.584 -0.017 0.000 1.243 114 A CA 0.078 52.109 52.037 -0.011 0.000 0.728 114 A CB -0.081 18.914 19.000 -0.009 0.000 0.895 114 A HN 0.079 nan 8.150 nan 0.000 0.467 115 M N -0.039 119.550 119.600 -0.018 0.000 2.270 115 M HA -0.200 4.280 4.480 -0.000 0.000 0.254 115 M C -0.630 175.654 176.300 -0.027 0.000 1.072 115 M CA 2.190 57.476 55.300 -0.025 0.000 1.077 115 M CB -2.502 30.086 32.600 -0.020 0.000 1.288 115 M HN 0.110 nan 8.290 nan 0.000 0.424 116 P HA -0.089 nan 4.420 nan 0.000 0.227 116 P C 0.583 177.870 177.300 -0.021 0.000 1.145 116 P CA 1.058 64.147 63.100 -0.019 0.000 0.769 116 P CB -0.162 31.530 31.700 -0.013 0.000 0.769 117 L N -1.731 119.478 121.223 -0.025 0.000 3.209 117 L HA 0.298 4.638 4.340 -0.000 0.000 0.279 117 L C -0.031 176.817 176.870 -0.038 0.000 1.301 117 L CA -0.171 54.654 54.840 -0.025 0.000 1.004 117 L CB 0.170 42.218 42.059 -0.017 0.000 1.402 117 L HN -0.087 nan 8.230 nan 0.000 0.577 118 L N 0.200 121.390 121.223 -0.055 0.000 2.354 118 L HA 0.578 4.918 4.340 -0.000 0.000 0.269 118 L C -2.302 174.492 176.870 -0.127 0.000 1.005 118 L CA -2.032 52.753 54.840 -0.092 0.000 0.819 118 L CB 2.338 44.339 42.059 -0.097 0.000 1.311 118 L HN -0.136 nan 8.230 nan 0.000 0.423 119 P HA -0.085 nan 4.420 nan 0.000 0.261 119 P C 0.133 177.315 177.300 -0.197 0.000 1.173 119 P CA 0.133 63.087 63.100 -0.244 0.000 0.760 119 P CB 0.410 31.759 31.700 -0.584 0.000 0.783 120 Q N 2.439 122.182 119.800 -0.096 0.000 2.197 120 Q HA -0.281 4.059 4.340 -0.000 0.000 0.207 120 Q C 0.935 176.909 176.000 -0.044 0.000 0.984 120 Q CA 1.683 57.456 55.803 -0.050 0.000 0.869 120 Q CB -0.547 28.186 28.738 -0.009 0.000 0.906 120 Q HN 0.372 nan 8.270 nan 0.000 0.426 121 E N 1.017 121.184 120.200 -0.055 0.000 2.085 121 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 121 E C 2.088 178.646 176.600 -0.070 0.000 0.994 121 E CA 1.487 57.890 56.400 0.006 0.000 0.801 121 E CB -0.237 29.529 29.700 0.111 0.000 0.743 121 E HN 0.243 nan 8.360 nan 0.000 0.453 122 V N 0.762 120.536 119.914 -0.233 0.000 2.323 122 V HA -0.266 3.854 4.120 -0.000 0.000 0.244 122 V C 2.197 178.219 176.094 -0.120 0.000 1.041 122 V CA 1.822 63.996 62.300 -0.210 0.000 1.025 122 V CB -0.591 31.034 31.823 -0.329 0.000 0.656 122 V HN 0.258 nan 8.190 nan 0.000 0.451 123 Q N 0.379 120.115 119.800 -0.106 0.000 2.152 123 Q HA -0.314 4.026 4.340 -0.000 0.000 0.206 123 Q C 2.264 178.237 176.000 -0.045 0.000 0.985 123 Q CA 2.196 57.961 55.803 -0.064 0.000 0.863 123 Q CB -0.228 28.481 28.738 -0.049 0.000 0.904 123 Q HN 0.877 nan 8.270 nan 0.000 0.422 124 Q N -0.230 119.551 119.800 -0.031 0.000 2.451 124 Q HA -0.008 4.332 4.340 -0.000 0.000 0.206 124 Q C 1.002 176.929 176.000 -0.121 0.000 0.947 124 Q CA 0.123 55.919 55.803 -0.011 0.000 0.937 124 Q CB 0.242 29.040 28.738 0.100 0.000 1.025 124 Q HN 0.107 nan 8.270 nan 0.000 0.511 125 Q N 1.196 120.922 119.800 -0.123 0.000 2.315 125 Q HA 0.400 4.740 4.340 -0.000 0.000 0.166 125 Q C -0.372 175.553 176.000 -0.126 0.000 1.056 125 Q CA 0.256 55.960 55.803 -0.165 0.000 1.061 125 Q CB 0.351 29.037 28.738 -0.086 0.000 1.981 125 Q HN 0.334 nan 8.270 nan 0.000 0.530 126 G N -0.311 108.431 108.800 -0.096 0.000 2.327 126 G HA2 0.519 4.479 3.960 -0.000 0.000 0.302 126 G HA3 0.519 4.479 3.960 -0.000 0.000 0.302 126 G C -1.368 173.505 174.900 -0.046 0.000 1.113 126 G CA -0.359 44.699 45.100 -0.070 0.000 0.921 126 G HN 0.304 nan 8.290 nan 0.000 0.425 127 V N 1.994 121.884 119.914 -0.040 0.000 2.444 127 V HA 0.664 4.784 4.120 -0.000 0.000 0.294 127 V C -0.047 176.036 176.094 -0.018 0.000 1.022 127 V CA -0.700 61.584 62.300 -0.027 0.000 0.850 127 V CB 1.361 33.167 31.823 -0.028 0.000 0.992 127 V HN 0.750 nan 8.190 nan 0.000 0.426 128 S N 2.772 118.467 115.700 -0.008 0.000 2.632 128 S HA 0.861 5.331 4.470 -0.000 0.000 0.289 128 S C -0.835 173.772 174.600 0.010 0.000 1.115 128 S CA -0.747 57.452 58.200 -0.001 0.000 0.889 128 S CB 2.394 65.593 63.200 -0.001 0.000 1.116 128 S HN 0.502 nan 8.310 nan 0.000 0.486 129 V N 2.138 122.060 119.914 0.013 0.000 2.555 129 V HA 0.397 4.517 4.120 -0.000 0.000 0.283 129 V C -0.657 175.449 176.094 0.020 0.000 1.020 129 V CA -0.566 61.747 62.300 0.022 0.000 0.883 129 V CB 1.075 32.910 31.823 0.019 0.000 1.030 129 V HN 0.911 nan 8.190 nan 0.000 0.448 130 E N 2.450 122.669 120.200 0.030 0.000 2.447 130 E HA 0.718 5.068 4.350 -0.000 0.000 0.251 130 E C -1.220 175.401 176.600 0.035 0.000 0.910 130 E CA -1.326 55.091 56.400 0.028 0.000 0.841 130 E CB 1.581 31.303 29.700 0.036 0.000 1.403 130 E HN 0.267 nan 8.360 nan 0.000 0.400 131 K N 0.919 121.340 120.400 0.034 0.000 2.292 131 K HA 0.289 4.609 4.320 -0.000 0.000 0.270 131 K C -0.506 176.130 176.600 0.061 0.000 1.062 131 K CA -0.251 56.059 56.287 0.038 0.000 0.916 131 K CB 1.461 33.974 32.500 0.021 0.000 1.166 131 K HN 0.321 nan 8.250 nan 0.000 0.458 132 S N 1.372 117.119 115.700 0.078 0.000 2.563 132 S HA 0.087 4.557 4.470 -0.000 0.000 0.269 132 S C 0.350 174.998 174.600 0.080 0.000 1.364 132 S CA 0.259 58.511 58.200 0.087 0.000 1.010 132 S CB 0.271 63.532 63.200 0.102 0.000 0.877 132 S HN 0.573 nan 8.310 nan 0.000 0.549 133 S N 0.522 116.270 115.700 0.079 0.000 2.702 133 S HA 0.155 4.625 4.470 -0.000 0.000 0.257 133 S C 0.133 174.762 174.600 0.049 0.000 0.981 133 S CA 0.010 58.250 58.200 0.067 0.000 1.414 133 S CB 0.071 63.315 63.200 0.074 0.000 1.239 133 S HN 0.797 nan 8.310 nan 0.000 0.676 134 S N 2.740 118.473 115.700 0.056 0.000 3.221 134 S HA -0.155 4.315 4.470 -0.000 0.000 0.376 134 S C 0.087 174.695 174.600 0.013 0.000 0.880 134 S CA 0.976 59.212 58.200 0.060 0.000 1.238 134 S CB -1.400 61.841 63.200 0.069 0.000 0.848 134 S HN 1.109 nan 8.310 nan 0.000 0.447 135 S N -1.123 114.532 115.700 -0.075 0.000 2.581 135 S HA 0.581 5.051 4.470 -0.000 0.000 0.306 135 S C -0.380 174.165 174.600 -0.092 0.000 1.080 135 S CA -1.163 56.983 58.200 -0.091 0.000 0.925 135 S CB 0.200 63.411 63.200 0.017 0.000 1.128 135 S HN 0.149 nan 8.310 nan 0.000 0.451 136 F N 2.459 122.428 119.950 0.033 0.000 2.181 136 F HA 0.730 5.257 4.527 -0.000 0.000 0.285 136 F C 1.456 177.097 175.800 -0.265 0.000 1.134 136 F CA -0.379 57.541 58.000 -0.133 0.000 1.139 136 F CB 0.380 39.228 39.000 -0.254 0.000 1.614 136 F HN 0.777 nan 8.300 nan 0.000 0.519 137 L N -2.584 118.571 121.223 -0.114 0.000 1.745 137 L HA 0.303 4.643 4.340 -0.000 0.000 0.090 137 L C -0.233 176.510 176.870 -0.211 0.000 1.614 137 L CA -0.805 53.929 54.840 -0.176 0.000 1.019 137 L CB -0.014 42.039 42.059 -0.009 0.000 1.945 137 L HN 0.213 nan 8.230 nan 0.000 0.430 138 M N 3.511 123.052 119.600 -0.099 0.000 2.429 138 M HA 0.286 4.766 4.480 -0.000 0.000 0.334 138 M C -0.807 175.390 176.300 -0.172 0.000 1.560 138 M CA 0.135 55.387 55.300 -0.081 0.000 1.291 138 M CB 0.366 32.955 32.600 -0.019 0.000 1.754 138 M HN 0.243 nan 8.290 nan 0.000 0.456 139 V N 6.272 126.035 119.914 -0.251 0.000 2.220 139 V HA 0.141 4.261 4.120 -0.000 0.000 0.265 139 V C 0.212 176.052 176.094 -0.424 0.000 1.078 139 V CA -0.629 61.437 62.300 -0.390 0.000 0.872 139 V CB 0.746 32.255 31.823 -0.523 0.000 1.121 139 V HN 0.492 nan 8.190 nan 0.000 0.460 140 V N 4.126 123.824 119.914 -0.360 0.000 2.359 140 V HA 0.236 4.356 4.120 -0.000 0.000 0.248 140 V C 1.346 177.129 176.094 -0.520 0.000 1.091 140 V CA 0.207 62.233 62.300 -0.457 0.000 1.103 140 V CB 0.096 31.722 31.823 -0.329 0.000 1.176 140 V HN 0.759 nan 8.190 nan 0.000 0.488 141 G N 3.876 112.282 108.800 -0.656 0.000 2.415 141 G HA2 0.494 4.454 3.960 -0.000 0.000 0.269 141 G HA3 0.494 4.454 3.960 -0.000 0.000 0.269 141 G C -0.621 173.990 174.900 -0.482 0.000 1.209 141 G CA -0.258 44.483 45.100 -0.599 0.000 0.835 141 G HN 0.494 nan 8.290 nan 0.000 0.534 142 V N 3.500 123.234 119.914 -0.299 0.000 2.604 142 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 142 V C 0.375 176.366 176.094 -0.171 0.000 1.043 142 V CA -0.573 61.560 62.300 -0.279 0.000 0.888 142 V CB 1.165 32.829 31.823 -0.264 0.000 0.995 142 V HN 0.839 nan 8.190 nan 0.000 0.429 143 I N 0.935 121.407 120.570 -0.164 0.000 3.466 143 I HA 0.746 4.916 4.170 -0.000 0.000 0.311 143 I C -1.126 174.954 176.117 -0.062 0.000 1.155 143 I CA -0.807 60.457 61.300 -0.060 0.000 0.959 143 I CB 2.584 40.597 38.000 0.023 0.000 1.332 143 I HN 0.568 nan 8.210 nan 0.000 0.483 144 N N 0.083 118.773 118.700 -0.016 0.000 2.235 144 N HA 0.432 5.172 4.740 -0.000 0.000 0.293 144 N C -0.452 175.062 175.510 0.006 0.000 1.083 144 N CA 0.186 53.226 53.050 -0.017 0.000 0.801 144 N CB 2.574 41.053 38.487 -0.015 0.000 1.559 144 N HN 0.943 nan 8.380 nan 0.000 0.472 145 T N -0.415 114.143 114.554 0.005 0.000 3.205 145 T HA 0.081 4.431 4.350 -0.000 0.000 0.238 145 T C 1.092 175.800 174.700 0.013 0.000 0.974 145 T CA 0.407 62.517 62.100 0.015 0.000 1.246 145 T CB -0.361 68.519 68.868 0.019 0.000 1.007 145 T HN 0.361 nan 8.240 nan 0.000 0.414 146 D N 2.560 122.966 120.400 0.011 0.000 1.971 146 D HA 0.112 4.752 4.640 -0.000 0.000 0.253 146 D C 1.501 177.807 176.300 0.009 0.000 1.019 146 D CA 1.456 55.462 54.000 0.011 0.000 0.947 146 D CB -1.022 39.785 40.800 0.012 0.000 1.256 146 D HN 0.497 nan 8.370 nan 0.000 0.493 147 G N 0.998 109.802 108.800 0.006 0.000 2.734 147 G HA2 0.181 4.141 3.960 -0.000 0.000 0.287 147 G HA3 0.181 4.141 3.960 -0.000 0.000 0.287 147 G C 0.100 175.003 174.900 0.004 0.000 0.728 147 G CA 0.102 45.205 45.100 0.005 0.000 1.999 147 G HN 0.264 nan 8.290 nan 0.000 0.535 148 T N 2.726 117.285 114.554 0.009 0.000 2.923 148 T HA 0.248 4.598 4.350 -0.000 0.000 0.320 148 T C 0.595 175.304 174.700 0.015 0.000 1.074 148 T CA 0.754 62.861 62.100 0.012 0.000 1.131 148 T CB 0.190 69.068 68.868 0.017 0.000 1.058 148 T HN 0.686 nan 8.240 nan 0.000 0.535 149 M N 0.522 120.133 119.600 0.017 0.000 2.255 149 M HA 0.389 4.869 4.480 -0.000 0.000 0.275 149 M C 0.105 176.424 176.300 0.033 0.000 1.050 149 M CA -1.184 54.132 55.300 0.027 0.000 0.978 149 M CB 1.388 33.996 32.600 0.013 0.000 1.761 149 M HN 0.626 nan 8.290 nan 0.000 0.479 150 T N -0.172 114.412 114.554 0.051 0.000 2.882 150 T HA -0.079 4.271 4.350 -0.000 0.000 0.330 150 T C 0.958 175.681 174.700 0.037 0.000 1.075 150 T CA 0.745 62.877 62.100 0.054 0.000 1.129 150 T CB 0.207 69.127 68.868 0.086 0.000 1.071 150 T HN 0.929 nan 8.240 nan 0.000 0.531 151 Q N -0.168 119.651 119.800 0.033 0.000 2.476 151 Q HA 0.062 4.402 4.340 -0.000 0.000 0.215 151 Q C 0.987 176.991 176.000 0.007 0.000 0.966 151 Q CA 0.794 56.608 55.803 0.017 0.000 0.976 151 Q CB -0.026 28.721 28.738 0.016 0.000 0.988 151 Q HN 0.862 nan 8.270 nan 0.000 0.526 152 E N 0.449 120.651 120.200 0.004 0.000 2.489 152 E HA 0.013 4.362 4.350 -0.000 0.000 0.208 152 E C 0.594 177.105 176.600 -0.148 0.000 0.814 152 E CA 0.424 56.798 56.400 -0.043 0.000 1.348 152 E CB 0.154 29.884 29.700 0.049 0.000 1.334 152 E HN 0.308 nan 8.360 nan 0.000 0.672 153 D N -0.074 120.303 120.400 -0.038 0.000 2.178 153 D HA -0.043 4.597 4.640 -0.000 0.000 0.201 153 D C 1.595 177.846 176.300 -0.082 0.000 0.980 153 D CA 1.307 55.286 54.000 -0.035 0.000 0.842 153 D CB 0.208 41.057 40.800 0.082 0.000 0.948 153 D HN 0.259 nan 8.370 nan 0.000 0.472 154 I N -0.424 120.122 120.570 -0.040 0.000 2.206 154 I HA -0.182 3.988 4.170 -0.000 0.000 0.239 154 I C 2.311 178.416 176.117 -0.020 0.000 1.078 154 I CA 0.392 61.696 61.300 0.005 0.000 1.367 154 I CB -0.382 37.618 38.000 0.001 0.000 1.078 154 I HN -0.095 nan 8.210 nan 0.000 0.413 155 S N 0.741 116.404 115.700 -0.062 0.000 2.390 155 S HA -0.348 4.122 4.470 -0.000 0.000 0.234 155 S C 1.791 176.326 174.600 -0.109 0.000 1.063 155 S CA 2.236 60.393 58.200 -0.072 0.000 1.108 155 S CB -0.677 62.469 63.200 -0.090 0.000 0.975 155 S HN 0.574 nan 8.310 nan 0.000 0.442 156 D N -0.169 120.092 120.400 -0.231 0.000 2.108 156 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 156 D C 1.896 178.171 176.300 -0.041 0.000 0.995 156 D CA 1.642 55.489 54.000 -0.255 0.000 0.834 156 D CB -0.376 40.005 40.800 -0.699 0.000 0.967 156 D HN 0.414 nan 8.370 nan 0.000 0.446 157 Y N 1.725 121.947 120.300 -0.130 0.000 2.030 157 Y HA -0.291 4.259 4.550 -0.000 0.000 0.272 157 Y C 2.509 178.408 175.900 -0.002 0.000 1.185 157 Y CA 1.638 59.720 58.100 -0.030 0.000 1.120 157 Y CB -0.863 37.593 38.460 -0.005 0.000 0.955 157 Y HN -0.084 nan 8.280 nan 0.000 0.495 158 V N 0.320 120.165 119.914 -0.116 0.000 2.282 158 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 158 V C 2.467 178.476 176.094 -0.142 0.000 1.057 158 V CA 2.088 64.271 62.300 -0.195 0.000 1.032 158 V CB -1.703 30.055 31.823 -0.110 0.000 0.645 158 V HN 0.559 nan 8.190 nan 0.000 0.447 159 A N -0.906 121.862 122.820 -0.086 0.000 2.261 159 A HA 0.538 4.858 4.320 -0.000 0.000 0.208 159 A C 1.258 178.808 177.584 -0.056 0.000 1.223 159 A CA 0.870 52.868 52.037 -0.065 0.000 0.833 159 A CB -0.415 18.553 19.000 -0.053 0.000 0.830 159 A HN 0.714 nan 8.150 nan 0.000 0.483 160 A N -0.569 122.210 122.820 -0.068 0.000 3.234 160 A HA 0.567 4.887 4.320 -0.000 0.000 0.247 160 A C 0.135 177.682 177.584 -0.062 0.000 0.938 160 A CA 0.235 52.254 52.037 -0.030 0.000 1.039 160 A CB -0.213 18.814 19.000 0.044 0.000 1.197 160 A HN 0.403 nan 8.150 nan 0.000 0.498 161 N N -1.626 117.000 118.700 -0.124 0.000 2.444 161 N HA -0.050 4.690 4.740 -0.000 0.000 0.335 161 N C 0.774 176.193 175.510 -0.152 0.000 1.190 161 N CA 1.214 54.172 53.050 -0.153 0.000 2.067 161 N CB -0.327 38.010 38.487 -0.250 0.000 2.132 161 N HN 0.275 nan 8.380 nan 0.000 1.114 162 M N -0.144 119.369 119.600 -0.145 0.000 3.112 162 M HA 0.267 4.747 4.480 -0.000 0.000 0.229 162 M C 1.766 178.022 176.300 -0.073 0.000 1.673 162 M CA 0.171 55.413 55.300 -0.096 0.000 1.303 162 M CB -0.137 32.414 32.600 -0.080 0.000 1.159 162 M HN 0.027 nan 8.290 nan 0.000 0.588 163 K N 1.095 121.451 120.400 -0.073 0.000 2.074 163 K HA -0.272 4.048 4.320 -0.000 0.000 0.209 163 K C 1.355 177.928 176.600 -0.046 0.000 1.048 163 K CA 2.436 58.691 56.287 -0.053 0.000 0.926 163 K CB -0.186 32.284 32.500 -0.049 0.000 0.713 163 K HN 0.184 nan 8.250 nan 0.000 0.444 164 D N -0.460 119.909 120.400 -0.052 0.000 2.221 164 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 164 D C 1.405 177.679 176.300 -0.042 0.000 0.982 164 D CA 1.238 55.211 54.000 -0.045 0.000 0.857 164 D CB 0.127 40.899 40.800 -0.047 0.000 0.934 164 D HN 0.397 nan 8.370 nan 0.000 0.475 165 A N -0.185 122.607 122.820 -0.048 0.000 1.849 165 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 165 A C 2.039 179.604 177.584 -0.032 0.000 1.269 165 A CA 0.691 52.703 52.037 -0.043 0.000 0.605 165 A CB -0.870 18.099 19.000 -0.052 0.000 0.937 165 A HN 0.163 nan 8.150 nan 0.000 0.461 166 I N 1.859 122.410 120.570 -0.031 0.000 2.182 166 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 166 I C 2.447 178.555 176.117 -0.014 0.000 1.073 166 I CA 2.099 63.386 61.300 -0.021 0.000 1.335 166 I CB -0.574 37.411 38.000 -0.025 0.000 1.031 166 I HN 0.436 nan 8.210 nan 0.000 0.420 167 S N -0.221 115.469 115.700 -0.017 0.000 2.711 167 S HA -0.089 4.381 4.470 -0.000 0.000 0.237 167 S C 1.745 176.340 174.600 -0.009 0.000 0.971 167 S CA 0.712 58.906 58.200 -0.010 0.000 0.964 167 S CB -0.428 62.762 63.200 -0.016 0.000 0.775 167 S HN 0.626 nan 8.310 nan 0.000 0.540 168 R N -0.419 120.074 120.500 -0.011 0.000 2.702 168 R HA 0.114 4.454 4.340 -0.000 0.000 0.223 168 R C -0.228 176.067 176.300 -0.008 0.000 0.953 168 R CA 0.337 56.430 56.100 -0.011 0.000 1.068 168 R CB -0.022 30.268 30.300 -0.017 0.000 1.600 168 R HN 0.370 nan 8.270 nan 0.000 0.602 169 T N 2.058 116.606 114.554 -0.009 0.000 2.791 169 T HA -0.058 4.292 4.350 -0.000 0.000 0.323 169 T C 0.169 174.869 174.700 -0.000 0.000 1.082 169 T CA 0.870 62.966 62.100 -0.006 0.000 1.084 169 T CB 0.724 69.588 68.868 -0.007 0.000 0.992 169 T HN 0.464 nan 8.240 nan 0.000 0.547 170 S N 0.746 116.447 115.700 0.001 0.000 4.045 170 S HA -0.115 4.355 4.470 -0.000 0.000 0.208 170 S C 1.282 175.888 174.600 0.009 0.000 0.369 170 S CA -0.006 58.197 58.200 0.005 0.000 1.395 170 S CB -1.839 61.364 63.200 0.006 0.000 1.660 170 S HN 1.768 nan 8.310 nan 0.000 0.307 171 G N 2.037 110.841 108.800 0.008 0.000 2.447 171 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.293 171 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.293 171 G C 0.161 175.073 174.900 0.020 0.000 0.894 171 G CA 0.078 45.185 45.100 0.012 0.000 1.066 171 G HN 1.503 nan 8.290 nan 0.000 0.503 172 V N 0.999 120.924 119.914 0.019 0.000 2.377 172 V HA 0.288 4.408 4.120 -0.000 0.000 0.254 172 V C 2.176 178.293 176.094 0.037 0.000 1.060 172 V CA 0.636 62.954 62.300 0.029 0.000 1.068 172 V CB 0.047 31.882 31.823 0.021 0.000 1.113 172 V HN 0.597 nan 8.190 nan 0.000 0.484 173 G N 4.003 112.832 108.800 0.049 0.000 2.624 173 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 173 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 173 G C 0.510 175.447 174.900 0.061 0.000 1.169 173 G CA 1.401 46.533 45.100 0.055 0.000 0.771 173 G HN 0.715 nan 8.290 nan 0.000 0.598 174 D N -1.454 118.997 120.400 0.085 0.000 2.804 174 D HA 0.328 4.968 4.640 -0.000 0.000 0.209 174 D C -0.904 175.457 176.300 0.102 0.000 1.314 174 D CA -0.582 53.471 54.000 0.088 0.000 0.894 174 D CB 1.487 42.353 40.800 0.111 0.000 1.615 174 D HN 0.023 nan 8.370 nan 0.000 0.571 175 V N 3.052 122.996 119.914 0.051 0.000 2.509 175 V HA 0.476 4.596 4.120 -0.000 0.000 0.284 175 V C 0.200 176.297 176.094 0.005 0.000 1.047 175 V CA -0.477 61.838 62.300 0.024 0.000 0.952 175 V CB 1.498 33.320 31.823 -0.001 0.000 0.988 175 V HN 0.518 nan 8.190 nan 0.000 0.469 176 Q N 3.712 123.498 119.800 -0.023 0.000 2.307 176 Q HA 0.444 4.784 4.340 -0.000 0.000 0.262 176 Q C -1.179 174.826 176.000 0.008 0.000 0.961 176 Q CA -0.373 55.383 55.803 -0.078 0.000 0.882 176 Q CB 1.608 30.232 28.738 -0.190 0.000 1.264 176 Q HN 0.627 nan 8.270 nan 0.000 0.446 177 L N 6.180 127.369 121.223 -0.057 0.000 2.297 177 L HA 0.421 4.761 4.340 -0.000 0.000 0.277 177 L C -1.213 175.676 176.870 0.032 0.000 1.040 177 L CA -0.420 54.443 54.840 0.038 0.000 0.867 177 L CB -0.174 41.870 42.059 -0.025 0.000 1.244 177 L HN 0.694 nan 8.230 nan 0.000 0.433 178 F N 5.341 125.297 119.950 0.009 0.000 2.650 178 F HA 0.456 4.983 4.527 -0.000 0.000 0.338 178 F C 1.322 177.125 175.800 0.006 0.000 1.311 178 F CA 0.714 58.755 58.000 0.067 0.000 1.106 178 F CB -0.333 38.799 39.000 0.220 0.000 1.500 178 F HN 0.691 nan 8.300 nan 0.000 0.670 179 G N 0.212 109.039 108.800 0.044 0.000 2.384 179 G HA2 0.309 4.269 3.960 -0.000 0.000 0.113 179 G HA3 0.309 4.269 3.960 -0.000 0.000 0.113 179 G C -0.949 173.906 174.900 -0.075 0.000 1.224 179 G CA -0.162 44.931 45.100 -0.011 0.000 1.126 179 G HN 0.598 nan 8.290 nan 0.000 0.461 180 S N -1.044 114.599 115.700 -0.094 0.000 2.580 180 S HA 0.497 4.967 4.470 -0.000 0.000 0.281 180 S C -0.917 173.614 174.600 -0.115 0.000 1.129 180 S CA 0.410 58.547 58.200 -0.105 0.000 0.862 180 S CB 1.391 64.511 63.200 -0.133 0.000 1.090 180 S HN 0.995 nan 8.310 nan 0.000 0.451 181 Q N 1.935 121.694 119.800 -0.069 0.000 2.417 181 Q HA 0.349 4.689 4.340 -0.000 0.000 0.241 181 Q C -0.665 175.348 176.000 0.022 0.000 1.008 181 Q CA -0.285 55.484 55.803 -0.055 0.000 0.901 181 Q CB 0.310 29.044 28.738 -0.007 0.000 1.259 181 Q HN 0.692 nan 8.270 nan 0.000 0.489 182 Y N 0.289 120.617 120.300 0.046 0.000 2.245 182 Y HA 0.302 4.852 4.550 -0.000 0.000 0.355 182 Y C 0.288 176.263 175.900 0.126 0.000 1.278 182 Y CA 0.426 58.574 58.100 0.080 0.000 1.593 182 Y CB 0.481 39.008 38.460 0.112 0.000 1.393 182 Y HN 0.710 nan 8.280 nan 0.000 0.662 183 A N 0.738 123.792 122.820 0.389 0.000 2.586 183 A HA 0.444 4.763 4.320 -0.000 0.000 0.296 183 A C -1.417 176.257 177.584 0.151 0.000 1.040 183 A CA -0.969 51.273 52.037 0.342 0.000 0.701 183 A CB 0.557 19.758 19.000 0.335 0.000 1.277 183 A HN 0.563 nan 8.150 nan 0.000 0.413 184 M N 1.712 121.300 119.600 -0.020 0.000 2.429 184 M HA 0.377 4.857 4.480 -0.000 0.000 0.334 184 M C 0.106 176.154 176.300 -0.420 0.000 1.560 184 M CA 0.306 55.233 55.300 -0.622 0.000 1.291 184 M CB -0.830 30.871 32.600 -1.499 0.000 1.754 184 M HN 0.522 nan 8.290 nan 0.000 0.456 185 R N 4.630 124.927 120.500 -0.337 0.000 2.254 185 R HA 0.548 4.888 4.340 -0.000 0.000 0.318 185 R C -1.078 174.883 176.300 -0.566 0.000 1.031 185 R CA 0.066 55.883 56.100 -0.471 0.000 0.905 185 R CB 0.462 30.497 30.300 -0.441 0.000 1.050 185 R HN 0.747 nan 8.270 nan 0.000 0.456 186 I N 4.583 124.804 120.570 -0.582 0.000 2.502 186 I HA 0.227 4.397 4.170 -0.000 0.000 0.276 186 I C -0.709 175.217 176.117 -0.318 0.000 1.057 186 I CA -0.613 60.475 61.300 -0.354 0.000 1.163 186 I CB 0.828 38.710 38.000 -0.197 0.000 1.288 186 I HN 0.467 nan 8.210 nan 0.000 0.479 187 W N 6.950 128.233 121.300 -0.030 0.000 2.546 187 W HA 0.383 5.043 4.660 -0.000 0.000 0.323 187 W C 0.447 176.937 176.519 -0.049 0.000 1.272 187 W CA -0.603 56.721 57.345 -0.035 0.000 1.404 187 W CB 0.093 29.523 29.460 -0.051 0.000 1.411 187 W HN 0.274 nan 8.180 nan 0.000 0.480 188 M N 2.984 122.680 119.600 0.160 0.000 2.157 188 M HA 0.078 4.558 4.480 -0.000 0.000 0.304 188 M C 0.505 176.774 176.300 -0.052 0.000 1.171 188 M CA 0.333 55.685 55.300 0.086 0.000 1.157 188 M CB 0.391 33.100 32.600 0.182 0.000 1.403 188 M HN 0.368 nan 8.290 nan 0.000 0.473 189 N N 1.042 119.611 118.700 -0.218 0.000 2.549 189 N HA 0.290 5.030 4.740 -0.000 0.000 0.281 189 N C -2.555 172.592 175.510 -0.605 0.000 1.084 189 N CA -1.657 51.034 53.050 -0.598 0.000 0.862 189 N CB 1.931 40.129 38.487 -0.480 0.000 1.333 189 N HN 0.139 nan 8.380 nan 0.000 0.523 190 P HA -0.229 nan 4.420 nan 0.000 0.214 190 P C 1.048 178.115 177.300 -0.389 0.000 1.164 190 P CA 1.626 64.154 63.100 -0.953 0.000 0.942 190 P CB 0.317 31.232 31.700 -1.308 0.000 0.791 191 N N -0.557 117.974 118.700 -0.281 0.000 2.020 191 N HA -0.221 4.519 4.740 -0.000 0.000 0.200 191 N C 1.563 177.086 175.510 0.021 0.000 1.054 191 N CA 1.470 54.486 53.050 -0.058 0.000 0.874 191 N CB -1.300 37.186 38.487 -0.002 0.000 1.075 191 N HN 0.230 nan 8.380 nan 0.000 0.446 192 E N 1.133 121.333 120.200 -0.000 0.000 2.086 192 E HA -0.183 4.167 4.350 -0.000 0.000 0.205 192 E C 2.369 179.073 176.600 0.173 0.000 1.027 192 E CA 0.807 57.275 56.400 0.112 0.000 0.830 192 E CB -0.692 28.986 29.700 -0.038 0.000 0.751 192 E HN 0.412 nan 8.360 nan 0.000 0.456 193 L N 0.754 121.998 121.223 0.035 0.000 2.043 193 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 193 L C 2.487 179.472 176.870 0.190 0.000 1.075 193 L CA 1.591 56.483 54.840 0.086 0.000 0.752 193 L CB -0.568 41.534 42.059 0.072 0.000 0.891 193 L HN 0.250 nan 8.230 nan 0.000 0.432 194 N N 0.359 119.165 118.700 0.178 0.000 2.171 194 N HA -0.211 4.529 4.740 -0.000 0.000 0.184 194 N C 1.869 177.493 175.510 0.189 0.000 1.021 194 N CA 0.586 53.768 53.050 0.219 0.000 0.854 194 N CB 0.085 38.748 38.487 0.293 0.000 0.994 194 N HN 0.162 nan 8.380 nan 0.000 0.426 195 K N -0.706 119.813 120.400 0.199 0.000 2.589 195 K HA -0.109 4.211 4.320 -0.000 0.000 0.195 195 K C -0.137 176.397 176.600 -0.109 0.000 1.040 195 K CA 0.922 57.252 56.287 0.071 0.000 0.950 195 K CB 0.041 32.603 32.500 0.103 0.000 0.781 195 K HN 0.252 nan 8.250 nan 0.000 0.486 196 F N -0.144 119.825 119.950 0.031 0.000 2.856 196 F HA 0.203 4.730 4.527 -0.000 0.000 0.338 196 F C -0.526 175.297 175.800 0.038 0.000 1.100 196 F CA -0.497 57.520 58.000 0.028 0.000 1.150 196 F CB 0.516 39.529 39.000 0.022 0.000 1.101 196 F HN -0.073 nan 8.300 nan 0.000 0.548 197 Q N 1.523 121.441 119.800 0.196 0.000 2.451 197 Q HA -0.151 4.189 4.340 -0.000 0.000 0.334 197 Q C -1.156 174.938 176.000 0.158 0.000 1.462 197 Q CA 0.422 56.313 55.803 0.148 0.000 0.876 197 Q CB -1.565 27.230 28.738 0.096 0.000 1.125 197 Q HN 0.407 nan 8.270 nan 0.000 0.358 198 L N -0.013 121.314 121.223 0.174 0.000 2.466 198 L HA 0.681 5.020 4.340 -0.000 0.000 0.258 198 L C 0.268 177.238 176.870 0.167 0.000 0.973 198 L CA -0.779 54.149 54.840 0.147 0.000 0.826 198 L CB 2.326 44.456 42.059 0.119 0.000 1.372 198 L HN 0.293 nan 8.230 nan 0.000 0.409 199 T N -2.561 112.086 114.554 0.155 0.000 2.942 199 T HA 0.462 4.812 4.350 -0.000 0.000 0.289 199 T C -2.349 172.445 174.700 0.157 0.000 1.044 199 T CA -2.075 60.141 62.100 0.192 0.000 1.023 199 T CB 2.121 71.100 68.868 0.185 0.000 1.123 199 T HN 0.231 nan 8.240 nan 0.000 0.512 200 P HA -0.149 nan 4.420 nan 0.000 0.217 200 P C 1.770 179.120 177.300 0.083 0.000 1.151 200 P CA 0.723 63.899 63.100 0.126 0.000 0.849 200 P CB -0.244 31.520 31.700 0.107 0.000 0.787 201 V N 0.119 120.085 119.914 0.085 0.000 2.317 201 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 201 V C 1.769 177.892 176.094 0.049 0.000 1.065 201 V CA 2.466 64.802 62.300 0.061 0.000 1.049 201 V CB -1.488 30.373 31.823 0.062 0.000 0.651 201 V HN 0.132 nan 8.190 nan 0.000 0.450 202 D N -0.139 120.295 120.400 0.057 0.000 2.117 202 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 202 D C 2.096 178.414 176.300 0.028 0.000 0.987 202 D CA 1.284 55.309 54.000 0.042 0.000 0.829 202 D CB -0.335 40.495 40.800 0.051 0.000 0.961 202 D HN 0.293 nan 8.370 nan 0.000 0.460 203 V N 0.850 120.785 119.914 0.035 0.000 2.287 203 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 203 V C 2.312 178.415 176.094 0.014 0.000 1.053 203 V CA 1.330 63.642 62.300 0.021 0.000 1.027 203 V CB -0.484 31.356 31.823 0.029 0.000 0.646 203 V HN 0.242 nan 8.190 nan 0.000 0.447 204 I N -0.008 120.573 120.570 0.019 0.000 2.076 204 I HA -0.265 3.905 4.170 -0.000 0.000 0.237 204 I C 2.623 178.740 176.117 -0.000 0.000 1.059 204 I CA 2.144 63.449 61.300 0.008 0.000 1.317 204 I CB -0.928 37.080 38.000 0.013 0.000 1.037 204 I HN 0.286 nan 8.210 nan 0.000 0.398 205 T N 0.927 115.484 114.554 0.005 0.000 2.737 205 T HA -0.243 4.107 4.350 -0.000 0.000 0.269 205 T C 1.968 176.663 174.700 -0.010 0.000 1.040 205 T CA 1.583 63.683 62.100 -0.001 0.000 1.142 205 T CB -0.404 68.468 68.868 0.006 0.000 0.861 205 T HN 0.521 nan 8.240 nan 0.000 0.456 206 A N 0.950 123.765 122.820 -0.008 0.000 1.902 206 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 206 A C 2.288 179.851 177.584 -0.035 0.000 1.181 206 A CA 1.222 53.246 52.037 -0.020 0.000 0.623 206 A CB -0.663 18.326 19.000 -0.018 0.000 0.818 206 A HN 0.545 nan 8.150 nan 0.000 0.443 207 I N -0.452 120.105 120.570 -0.021 0.000 2.163 207 I HA -0.198 3.972 4.170 -0.000 0.000 0.240 207 I C 1.381 177.477 176.117 -0.035 0.000 1.081 207 I CA 1.204 62.492 61.300 -0.020 0.000 1.353 207 I CB -0.328 37.695 38.000 0.038 0.000 1.054 207 I HN 0.192 nan 8.210 nan 0.000 0.407 208 K N 1.292 121.674 120.400 -0.029 0.000 2.773 208 K HA 0.097 4.417 4.320 -0.000 0.000 0.222 208 K C 0.897 177.475 176.600 -0.037 0.000 0.985 208 K CA 0.489 56.754 56.287 -0.036 0.000 1.126 208 K CB 0.051 32.529 32.500 -0.036 0.000 0.919 208 K HN 0.389 nan 8.250 nan 0.000 0.487 209 A N -0.120 122.673 122.820 -0.045 0.000 1.817 209 A HA 0.036 4.356 4.320 -0.000 0.000 0.204 209 A C 1.425 178.971 177.584 -0.064 0.000 1.741 209 A CA -0.196 51.814 52.037 -0.045 0.000 1.196 209 A CB 0.413 19.392 19.000 -0.036 0.000 1.211 209 A HN 0.194 nan 8.150 nan 0.000 0.450 210 Q N -0.351 119.395 119.800 -0.089 0.000 2.319 210 Q HA 0.147 4.487 4.340 -0.000 0.000 0.202 210 Q C -0.397 175.495 176.000 -0.180 0.000 0.896 210 Q CA 0.133 55.861 55.803 -0.126 0.000 0.942 210 Q CB 0.220 28.872 28.738 -0.143 0.000 1.083 210 Q HN 0.491 nan 8.270 nan 0.000 0.510 211 N N 0.729 119.339 118.700 -0.150 0.000 2.690 211 N HA 0.452 5.192 4.740 -0.000 0.000 0.255 211 N C -1.855 173.622 175.510 -0.055 0.000 1.195 211 N CA -0.122 52.837 53.050 -0.151 0.000 0.790 211 N CB 1.195 39.558 38.487 -0.207 0.000 1.216 211 N HN 0.085 nan 8.380 nan 0.000 0.528 212 A N 1.716 124.509 122.820 -0.045 0.000 2.586 212 A HA 0.388 4.708 4.320 -0.000 0.000 0.296 212 A C -1.550 176.021 177.584 -0.021 0.000 1.040 212 A CA -0.791 51.232 52.037 -0.022 0.000 0.701 212 A CB 1.060 20.043 19.000 -0.027 0.000 1.277 212 A HN 0.402 nan 8.150 nan 0.000 0.413 213 Q N 0.777 120.571 119.800 -0.011 0.000 2.243 213 Q HA 0.592 4.932 4.340 -0.000 0.000 0.252 213 Q C -0.705 175.288 176.000 -0.012 0.000 0.909 213 Q CA -0.669 55.127 55.803 -0.010 0.000 0.922 213 Q CB 2.220 30.956 28.738 -0.004 0.000 1.215 213 Q HN 0.532 nan 8.270 nan 0.000 0.427 214 V N 1.201 121.107 119.914 -0.013 0.000 2.628 214 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 214 V C -0.251 175.837 176.094 -0.010 0.000 1.045 214 V CA -0.968 61.325 62.300 -0.012 0.000 0.905 214 V CB 1.699 33.514 31.823 -0.014 0.000 0.997 214 V HN 0.874 nan 8.190 nan 0.000 0.436 215 A N 3.228 126.043 122.820 -0.008 0.000 2.366 215 A HA 0.811 5.131 4.320 -0.000 0.000 0.272 215 A C 0.232 177.811 177.584 -0.007 0.000 1.135 215 A CA 0.110 52.143 52.037 -0.007 0.000 0.804 215 A CB 0.367 19.363 19.000 -0.006 0.000 1.064 215 A HN 1.429 nan 8.150 nan 0.000 0.499 216 A N 2.526 125.342 122.820 -0.007 0.000 2.386 216 A HA 0.747 5.067 4.320 -0.000 0.000 0.311 216 A C 0.823 178.404 177.584 -0.006 0.000 1.068 216 A CA -0.065 51.968 52.037 -0.007 0.000 0.743 216 A CB 0.855 19.851 19.000 -0.007 0.000 1.258 216 A HN 1.660 nan 8.150 nan 0.000 0.429 217 G N 0.581 109.378 108.800 -0.005 0.000 2.190 217 G HA2 0.384 4.344 3.960 -0.000 0.000 0.295 217 G HA3 0.384 4.344 3.960 -0.000 0.000 0.295 217 G C 0.118 175.015 174.900 -0.005 0.000 1.507 217 G CA 0.961 46.058 45.100 -0.005 0.000 1.034 217 G HN 1.374 nan 8.290 nan 0.000 0.483 218 Q N -1.915 117.882 119.800 -0.004 0.000 2.438 218 Q HA 0.429 4.769 4.340 -0.000 0.000 0.272 218 Q C -1.252 174.746 176.000 -0.004 0.000 0.994 218 Q CA -0.925 54.875 55.803 -0.004 0.000 0.887 218 Q CB 1.075 29.811 28.738 -0.004 0.000 1.432 218 Q HN 0.376 nan 8.270 nan 0.000 0.392 219 L N 2.182 123.403 121.223 -0.003 0.000 2.562 219 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 219 L C 0.923 177.791 176.870 -0.003 0.000 1.167 219 L CA 1.246 56.084 54.840 -0.003 0.000 0.917 219 L CB -0.218 41.839 42.059 -0.003 0.000 1.187 219 L HN 1.118 nan 8.230 nan 0.000 0.482 220 G N 2.192 110.991 108.800 -0.003 0.000 2.226 220 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.176 220 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.176 220 G C 0.488 175.386 174.900 -0.003 0.000 1.042 220 G CA -0.529 44.569 45.100 -0.003 0.000 0.732 220 G HN 1.042 nan 8.290 nan 0.000 0.494 221 G N -0.500 108.298 108.800 -0.003 0.000 2.971 221 G HA2 0.302 4.261 3.960 -0.000 0.000 0.227 221 G HA3 0.302 4.261 3.960 -0.000 0.000 0.227 221 G C 1.401 176.299 174.900 -0.003 0.000 1.214 221 G CA 0.986 46.084 45.100 -0.003 0.000 0.854 221 G HN 0.972 nan 8.290 nan 0.000 0.566 222 T N 2.151 116.704 114.554 -0.003 0.000 2.527 222 T HA -0.174 4.176 4.350 -0.000 0.000 0.258 222 T C -0.932 173.766 174.700 -0.002 0.000 1.175 222 T CA 1.931 64.029 62.100 -0.003 0.000 1.168 222 T CB -0.994 67.873 68.868 -0.003 0.000 0.860 222 T HN 0.658 nan 8.240 nan 0.000 0.429 223 P HA 0.379 nan 4.420 nan 0.000 0.294 223 P C -2.560 174.739 177.300 -0.002 0.000 1.389 223 P CA -1.495 61.603 63.100 -0.002 0.000 0.875 223 P CB 1.229 32.928 31.700 -0.002 0.000 1.018 224 P HA 0.179 nan 4.420 nan 0.000 0.282 224 P C -0.438 176.861 177.300 -0.002 0.000 1.287 224 P CA -0.488 62.610 63.100 -0.002 0.000 0.792 224 P CB 0.926 32.625 31.700 -0.002 0.000 1.163 225 V N -2.567 117.346 119.914 -0.002 0.000 2.407 225 V HA 0.340 4.460 4.120 -0.000 0.000 0.278 225 V C 0.288 176.381 176.094 -0.002 0.000 1.037 225 V CA -1.183 61.116 62.300 -0.002 0.000 0.900 225 V CB -0.003 31.819 31.823 -0.002 0.000 0.983 225 V HN 0.368 nan 8.190 nan 0.000 0.459 226 K N 4.217 124.616 120.400 -0.001 0.000 2.434 226 K HA 0.222 4.542 4.320 -0.000 0.000 0.266 226 K C 1.244 177.843 176.600 -0.001 0.000 1.096 226 K CA 1.146 57.432 56.287 -0.001 0.000 1.182 226 K CB -0.463 32.036 32.500 -0.001 0.000 0.813 226 K HN 1.503 nan 8.250 nan 0.000 0.490 227 G N 1.878 110.677 108.800 -0.001 0.000 2.192 227 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.193 227 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.193 227 G C -0.109 174.790 174.900 -0.001 0.000 0.999 227 G CA -0.248 44.852 45.100 -0.001 0.000 0.659 227 G HN 0.549 nan 8.290 nan 0.000 0.503 228 Q N 0.491 120.290 119.800 -0.001 0.000 2.289 228 Q HA 0.597 4.937 4.340 -0.000 0.000 0.273 228 Q C 1.272 177.271 176.000 -0.001 0.000 1.029 228 Q CA 0.615 56.417 55.803 -0.002 0.000 0.896 228 Q CB 1.105 29.842 28.738 -0.002 0.000 1.182 228 Q HN 0.351 nan 8.270 nan 0.000 0.385 229 Q N 2.624 122.423 119.800 -0.001 0.000 2.396 229 Q HA 0.356 4.696 4.340 -0.000 0.000 0.220 229 Q C -0.536 175.463 176.000 -0.001 0.000 0.900 229 Q CA 0.224 56.026 55.803 -0.001 0.000 0.925 229 Q CB 0.580 29.317 28.738 -0.001 0.000 1.065 229 Q HN 0.706 nan 8.270 nan 0.000 0.535 230 L N 0.719 121.941 121.223 -0.002 0.000 2.325 230 L HA 0.500 4.840 4.340 -0.000 0.000 0.278 230 L C -1.121 175.748 176.870 -0.002 0.000 1.023 230 L CA -0.425 54.414 54.840 -0.002 0.000 0.811 230 L CB 1.419 43.477 42.059 -0.002 0.000 1.249 230 L HN 0.063 nan 8.230 nan 0.000 0.431 231 N N 4.272 122.971 118.700 -0.002 0.000 2.640 231 N HA 0.572 5.312 4.740 -0.000 0.000 0.262 231 N C -1.565 173.943 175.510 -0.002 0.000 1.174 231 N CA -0.365 52.684 53.050 -0.002 0.000 0.791 231 N CB 1.317 39.802 38.487 -0.002 0.000 1.279 231 N HN 0.724 nan 8.380 nan 0.000 0.535 232 A N 1.678 124.496 122.820 -0.002 0.000 2.350 232 A HA 0.597 4.917 4.320 -0.000 0.000 0.324 232 A C -0.040 177.542 177.584 -0.003 0.000 1.118 232 A CA -0.629 51.406 52.037 -0.003 0.000 0.783 232 A CB 1.132 20.130 19.000 -0.003 0.000 1.236 232 A HN 0.566 nan 8.150 nan 0.000 0.457 233 S N 1.689 117.387 115.700 -0.003 0.000 2.545 233 S HA 0.590 5.060 4.470 -0.000 0.000 0.275 233 S C -0.132 174.466 174.600 -0.004 0.000 1.299 233 S CA -0.381 57.817 58.200 -0.004 0.000 1.048 233 S CB 0.286 63.484 63.200 -0.004 0.000 0.938 233 S HN 0.483 nan 8.310 nan 0.000 0.496 234 I N 3.210 123.777 120.570 -0.004 0.000 2.371 234 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 234 I C -0.193 175.921 176.117 -0.006 0.000 1.028 234 I CA -0.688 60.609 61.300 -0.005 0.000 1.345 234 I CB 0.594 38.591 38.000 -0.005 0.000 1.407 234 I HN 0.467 nan 8.210 nan 0.000 0.501 235 I N 5.603 126.169 120.570 -0.006 0.000 2.365 235 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 235 I C 0.709 176.821 176.117 -0.008 0.000 1.004 235 I CA 0.062 61.358 61.300 -0.007 0.000 1.311 235 I CB 1.071 39.068 38.000 -0.006 0.000 1.401 235 I HN 0.661 nan 8.210 nan 0.000 0.491 236 A N 6.547 129.361 122.820 -0.010 0.000 3.444 236 A HA 0.505 4.825 4.320 -0.000 0.000 0.189 236 A C 0.189 177.764 177.584 -0.015 0.000 1.542 236 A CA -0.461 51.569 52.037 -0.012 0.000 0.867 236 A CB 0.248 19.241 19.000 -0.012 0.000 1.712 236 A HN 0.672 nan 8.150 nan 0.000 0.556 237 Q N -0.494 119.295 119.800 -0.019 0.000 2.479 237 Q HA 0.357 4.697 4.340 -0.000 0.000 0.267 237 Q C -0.878 175.110 176.000 -0.021 0.000 1.071 237 Q CA 0.686 56.474 55.803 -0.025 0.000 0.935 237 Q CB 0.294 29.013 28.738 -0.031 0.000 1.295 237 Q HN 0.583 nan 8.270 nan 0.000 0.476 238 T N 1.520 116.060 114.554 -0.024 0.000 2.921 238 T HA 0.290 4.640 4.350 -0.000 0.000 0.297 238 T C -0.714 173.978 174.700 -0.014 0.000 1.013 238 T CA -0.835 61.257 62.100 -0.013 0.000 0.990 238 T CB 1.125 69.989 68.868 -0.006 0.000 1.023 238 T HN 0.419 nan 8.240 nan 0.000 0.447 239 R N 2.209 122.715 120.500 0.009 0.000 2.566 239 R HA 0.099 4.438 4.340 -0.000 0.000 0.273 239 R C 0.657 176.990 176.300 0.055 0.000 0.981 239 R CA -0.370 55.752 56.100 0.037 0.000 1.091 239 R CB 0.175 30.526 30.300 0.086 0.000 0.924 239 R HN 0.382 nan 8.270 nan 0.000 0.411 240 L N 1.685 122.912 121.223 0.006 0.000 2.435 240 L HA -0.073 4.267 4.340 -0.000 0.000 0.258 240 L C 1.411 178.431 176.870 0.250 0.000 1.257 240 L CA 1.086 55.925 54.840 -0.003 0.000 0.823 240 L CB 0.192 42.021 42.059 -0.383 0.000 1.111 240 L HN 0.816 nan 8.230 nan 0.000 0.543 241 T N -1.732 112.970 114.554 0.246 0.000 3.449 241 T HA 0.075 4.425 4.350 -0.000 0.000 0.268 241 T C 0.717 175.597 174.700 0.300 0.000 0.996 241 T CA -0.109 62.181 62.100 0.316 0.000 1.125 241 T CB 0.375 69.346 68.868 0.172 0.000 1.172 241 T HN 0.469 nan 8.240 nan 0.000 0.430 242 S N 1.130 116.936 115.700 0.176 0.000 2.681 242 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 242 S C 1.459 176.121 174.600 0.104 0.000 1.209 242 S CA -0.286 57.983 58.200 0.114 0.000 0.988 242 S CB 1.451 64.694 63.200 0.070 0.000 1.006 242 S HN 0.388 nan 8.310 nan 0.000 0.558 243 T N 0.158 114.726 114.554 0.023 0.000 2.812 243 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 243 T C 1.663 176.399 174.700 0.060 0.000 1.042 243 T CA 1.701 63.796 62.100 -0.008 0.000 1.140 243 T CB -0.447 68.384 68.868 -0.062 0.000 0.870 243 T HN 0.679 nan 8.240 nan 0.000 0.445 244 E N 0.408 120.630 120.200 0.037 0.000 2.086 244 E HA -0.245 4.105 4.350 -0.000 0.000 0.200 244 E C 2.029 178.643 176.600 0.024 0.000 1.012 244 E CA 1.857 58.272 56.400 0.025 0.000 0.812 244 E CB -0.171 29.538 29.700 0.015 0.000 0.743 244 E HN 0.690 nan 8.360 nan 0.000 0.453 245 E N -0.649 119.567 120.200 0.026 0.000 2.085 245 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 245 E C 1.926 178.457 176.600 -0.115 0.000 0.994 245 E CA 1.259 57.629 56.400 -0.050 0.000 0.801 245 E CB -0.240 29.415 29.700 -0.074 0.000 0.743 245 E HN 0.348 nan 8.360 nan 0.000 0.453 246 F N 0.352 120.236 119.950 -0.110 0.000 2.407 246 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 246 F C 2.361 178.101 175.800 -0.101 0.000 1.097 246 F CA 1.007 58.931 58.000 -0.126 0.000 1.422 246 F CB -0.297 38.589 39.000 -0.189 0.000 1.067 246 F HN 0.042 nan 8.300 nan 0.000 0.539 247 G N -0.317 108.525 108.800 0.070 0.000 2.421 247 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 247 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 247 G C 1.378 176.266 174.900 -0.019 0.000 1.143 247 G CA 0.145 45.255 45.100 0.017 0.000 0.784 247 G HN 0.248 nan 8.290 nan 0.000 0.541 248 K N 0.648 121.026 120.400 -0.036 0.000 2.627 248 K HA 0.205 4.525 4.320 -0.000 0.000 0.212 248 K C -0.228 176.329 176.600 -0.072 0.000 1.041 248 K CA -0.332 55.925 56.287 -0.050 0.000 1.205 248 K CB 0.301 32.773 32.500 -0.048 0.000 0.936 248 K HN 0.174 nan 8.250 nan 0.000 0.489 249 I N 2.453 122.977 120.570 -0.077 0.000 2.363 249 I HA 0.002 4.172 4.170 -0.000 0.000 0.292 249 I C 0.150 176.227 176.117 -0.066 0.000 1.075 249 I CA -0.844 60.401 61.300 -0.091 0.000 1.333 249 I CB -0.070 37.877 38.000 -0.087 0.000 1.415 249 I HN 0.094 nan 8.210 nan 0.000 0.502 250 L N 8.113 129.301 121.223 -0.059 0.000 2.565 250 L HA 0.078 4.418 4.340 -0.000 0.000 0.275 250 L C 0.846 177.694 176.870 -0.036 0.000 1.137 250 L CA 0.712 55.527 54.840 -0.042 0.000 0.915 250 L CB 0.205 42.244 42.059 -0.033 0.000 1.232 250 L HN 0.528 nan 8.230 nan 0.000 0.473 251 L N 3.848 125.049 121.223 -0.037 0.000 2.168 251 L HA 0.192 4.532 4.340 -0.000 0.000 0.203 251 L C 0.890 177.760 176.870 0.001 0.000 1.078 251 L CA 0.492 55.317 54.840 -0.025 0.000 0.780 251 L CB -0.163 41.868 42.059 -0.046 0.000 0.939 251 L HN 0.664 nan 8.230 nan 0.000 0.451 252 K N -0.572 119.835 120.400 0.012 0.000 2.685 252 K HA 0.366 4.686 4.320 -0.000 0.000 0.290 252 K C -1.841 174.792 176.600 0.055 0.000 1.018 252 K CA -0.619 55.692 56.287 0.039 0.000 0.860 252 K CB 1.969 34.508 32.500 0.065 0.000 1.498 252 K HN -0.230 nan 8.250 nan 0.000 0.390 253 V N 0.593 120.540 119.914 0.054 0.000 2.380 253 V HA 0.515 4.635 4.120 -0.000 0.000 0.286 253 V C -0.711 175.417 176.094 0.058 0.000 1.015 253 V CA -1.008 61.326 62.300 0.056 0.000 0.834 253 V CB 0.924 32.767 31.823 0.034 0.000 1.009 253 V HN 0.677 nan 8.190 nan 0.000 0.428 254 N N 3.572 122.316 118.700 0.074 0.000 2.479 254 N HA 0.183 4.923 4.740 -0.000 0.000 0.257 254 N C 1.304 176.830 175.510 0.027 0.000 1.232 254 N CA 0.316 53.395 53.050 0.048 0.000 0.920 254 N CB 0.897 39.407 38.487 0.037 0.000 1.105 254 N HN 0.917 nan 8.380 nan 0.000 0.444 255 Q N 1.045 120.854 119.800 0.015 0.000 2.160 255 Q HA -0.335 4.005 4.340 -0.000 0.000 0.219 255 Q C 0.206 176.211 176.000 0.008 0.000 1.051 255 Q CA 2.319 58.127 55.803 0.008 0.000 0.929 255 Q CB -0.847 27.891 28.738 0.000 0.000 1.059 255 Q HN 0.789 nan 8.270 nan 0.000 0.428 256 D N -0.012 120.391 120.400 0.006 0.000 2.652 256 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 256 D C 0.857 177.164 176.300 0.013 0.000 1.232 256 D CA 0.550 54.554 54.000 0.007 0.000 0.863 256 D CB -0.749 40.052 40.800 0.003 0.000 1.023 256 D HN 0.639 nan 8.370 nan 0.000 0.474 257 G N 1.209 110.019 108.800 0.016 0.000 2.244 257 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.274 257 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.274 257 G C 0.402 175.318 174.900 0.026 0.000 1.002 257 G CA 0.693 45.804 45.100 0.018 0.000 0.740 257 G HN 0.747 nan 8.290 nan 0.000 0.516 258 S N 0.038 115.759 115.700 0.035 0.000 2.430 258 S HA 0.563 5.033 4.470 -0.000 0.000 0.282 258 S C 0.631 175.274 174.600 0.071 0.000 1.186 258 S CA -0.638 57.593 58.200 0.052 0.000 1.060 258 S CB 1.088 64.323 63.200 0.059 0.000 0.966 258 S HN 0.506 nan 8.310 nan 0.000 0.501 259 R N 2.079 122.612 120.500 0.056 0.000 2.491 259 R HA 0.312 4.652 4.340 -0.000 0.000 0.283 259 R C -0.790 175.548 176.300 0.064 0.000 1.072 259 R CA -0.399 55.729 56.100 0.048 0.000 1.048 259 R CB 0.642 30.955 30.300 0.021 0.000 0.983 259 R HN 0.545 nan 8.270 nan 0.000 0.450 260 V N 6.004 125.945 119.914 0.046 0.000 2.257 260 V HA 0.213 4.333 4.120 -0.000 0.000 0.269 260 V C 0.204 176.242 176.094 -0.094 0.000 1.040 260 V CA -0.498 61.791 62.300 -0.019 0.000 0.813 260 V CB 0.602 32.437 31.823 0.019 0.000 1.065 260 V HN 0.546 nan 8.190 nan 0.000 0.457 261 L N 3.682 124.845 121.223 -0.100 0.000 2.395 261 L HA 0.276 4.616 4.340 -0.000 0.000 0.269 261 L C 1.539 178.331 176.870 -0.130 0.000 1.133 261 L CA -0.543 54.242 54.840 -0.091 0.000 0.812 261 L CB 0.683 42.706 42.059 -0.061 0.000 1.125 261 L HN 0.482 nan 8.230 nan 0.000 0.452 262 L N 2.392 123.558 121.223 -0.095 0.000 2.081 262 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 262 L C 2.613 179.429 176.870 -0.091 0.000 1.080 262 L CA 1.716 56.503 54.840 -0.089 0.000 0.754 262 L CB -0.761 41.275 42.059 -0.039 0.000 0.893 262 L HN 0.678 nan 8.230 nan 0.000 0.433 263 R N -0.589 119.870 120.500 -0.068 0.000 2.261 263 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 263 R C 0.946 177.200 176.300 -0.077 0.000 1.141 263 R CA 1.720 57.789 56.100 -0.052 0.000 1.001 263 R CB -0.351 29.928 30.300 -0.035 0.000 0.866 263 R HN 0.570 nan 8.270 nan 0.000 0.468 264 D N -0.592 119.723 120.400 -0.141 0.000 2.388 264 D HA -0.043 4.597 4.640 -0.000 0.000 0.208 264 D C 1.566 177.721 176.300 -0.243 0.000 1.035 264 D CA 0.803 54.690 54.000 -0.190 0.000 0.875 264 D CB 0.636 41.263 40.800 -0.287 0.000 0.984 264 D HN 0.292 nan 8.370 nan 0.000 0.508 265 V N -2.394 117.372 119.914 -0.246 0.000 3.643 265 V HA 0.663 4.783 4.120 -0.000 0.000 0.280 265 V C 0.490 176.513 176.094 -0.118 0.000 1.351 265 V CA -0.010 62.165 62.300 -0.208 0.000 1.073 265 V CB 0.184 31.873 31.823 -0.223 0.000 0.863 265 V HN 0.058 nan 8.190 nan 0.000 0.436 266 A N 0.270 123.042 122.820 -0.081 0.000 2.566 266 A HA 0.620 4.940 4.320 -0.000 0.000 0.297 266 A C -0.712 176.877 177.584 0.007 0.000 1.059 266 A CA -0.726 51.294 52.037 -0.028 0.000 0.691 266 A CB 1.425 20.420 19.000 -0.009 0.000 1.282 266 A HN 0.246 nan 8.150 nan 0.000 0.401 267 K N 2.700 123.140 120.400 0.067 0.000 2.338 267 K HA 0.478 4.798 4.320 -0.000 0.000 0.290 267 K C -0.878 175.807 176.600 0.141 0.000 1.069 267 K CA -0.016 56.331 56.287 0.101 0.000 0.941 267 K CB -0.057 32.516 32.500 0.123 0.000 1.023 267 K HN 0.571 nan 8.250 nan 0.000 0.477 268 I N 5.296 125.900 120.570 0.057 0.000 2.342 268 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 268 I C -0.108 176.015 176.117 0.011 0.000 1.010 268 I CA -0.254 61.045 61.300 -0.002 0.000 1.308 268 I CB 1.118 39.102 38.000 -0.027 0.000 1.400 268 I HN 0.725 nan 8.210 nan 0.000 0.488 269 E N 5.857 126.050 120.200 -0.013 0.000 2.390 269 E HA 0.397 4.747 4.350 -0.000 0.000 0.280 269 E C -1.604 174.951 176.600 -0.075 0.000 0.992 269 E CA -1.075 55.329 56.400 0.006 0.000 0.790 269 E CB 2.015 31.802 29.700 0.145 0.000 1.248 269 E HN 0.331 nan 8.360 nan 0.000 0.447 270 L N 2.248 123.387 121.223 -0.139 0.000 2.283 270 L HA 0.665 5.005 4.340 -0.000 0.000 0.287 270 L C -0.174 176.556 176.870 -0.233 0.000 1.073 270 L CA 0.757 55.441 54.840 -0.259 0.000 0.822 270 L CB 0.450 42.279 42.059 -0.383 0.000 1.186 270 L HN 0.760 nan 8.230 nan 0.000 0.436 271 G N 2.666 111.477 108.800 0.018 0.000 2.866 271 G HA2 0.550 4.510 3.960 -0.000 0.000 0.289 271 G HA3 0.550 4.510 3.960 -0.000 0.000 0.289 271 G C -0.438 174.723 174.900 0.435 0.000 1.396 271 G CA -0.474 44.823 45.100 0.328 0.000 0.848 271 G HN 0.807 nan 8.290 nan 0.000 0.515 272 G N -1.130 107.805 108.800 0.225 0.000 2.562 272 G HA2 0.281 4.241 3.960 -0.000 0.000 0.233 272 G HA3 0.281 4.241 3.960 -0.000 0.000 0.233 272 G C 0.614 175.428 174.900 -0.143 0.000 1.266 272 G CA 0.518 45.495 45.100 -0.205 0.000 0.852 272 G HN 0.691 nan 8.290 nan 0.000 0.581 273 E N 0.294 120.454 120.200 -0.066 0.000 2.299 273 E HA -0.061 4.288 4.350 -0.000 0.000 0.193 273 E C 0.397 176.936 176.600 -0.101 0.000 0.998 273 E CA 0.102 56.544 56.400 0.070 0.000 0.851 273 E CB 0.144 29.943 29.700 0.166 0.000 0.795 273 E HN 0.453 nan 8.360 nan 0.000 0.492 274 N N -0.456 118.119 118.700 -0.208 0.000 2.537 274 N HA 0.001 4.741 4.740 -0.000 0.000 0.281 274 N C -1.930 173.472 175.510 -0.179 0.000 1.097 274 N CA -0.391 52.580 53.050 -0.132 0.000 0.964 274 N CB 0.701 39.129 38.487 -0.097 0.000 1.588 274 N HN -0.058 nan 8.380 nan 0.000 0.511 275 Y N 2.136 122.451 120.300 0.025 0.000 2.845 275 Y HA 0.333 4.883 4.550 -0.000 0.000 0.385 275 Y C 0.951 176.857 175.900 0.010 0.000 1.133 275 Y CA -0.600 57.522 58.100 0.035 0.000 1.660 275 Y CB 0.335 38.833 38.460 0.063 0.000 1.683 275 Y HN 0.452 nan 8.280 nan 0.000 0.503 276 D N 0.533 120.981 120.400 0.080 0.000 2.431 276 D HA 0.123 4.763 4.640 -0.000 0.000 0.235 276 D C 0.615 176.933 176.300 0.030 0.000 0.980 276 D CA 0.797 54.824 54.000 0.045 0.000 0.912 276 D CB 0.817 41.618 40.800 0.000 0.000 1.056 276 D HN 0.432 nan 8.370 nan 0.000 0.494 277 I N -0.172 120.401 120.570 0.004 0.000 2.433 277 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 277 I C -0.643 175.496 176.117 0.036 0.000 1.001 277 I CA -1.134 60.180 61.300 0.022 0.000 1.119 277 I CB 2.115 40.110 38.000 -0.008 0.000 1.289 277 I HN -0.227 nan 8.210 nan 0.000 0.438 278 I N 3.094 123.691 120.570 0.045 0.000 2.418 278 I HA 0.874 5.044 4.170 -0.000 0.000 0.287 278 I C -0.329 175.784 176.117 -0.007 0.000 1.008 278 I CA -0.756 60.560 61.300 0.027 0.000 1.104 278 I CB 1.856 39.871 38.000 0.024 0.000 1.264 278 I HN 0.738 nan 8.210 nan 0.000 0.438 279 A N 5.166 127.962 122.820 -0.039 0.000 2.290 279 A HA 0.647 4.967 4.320 -0.000 0.000 0.310 279 A C -0.367 177.048 177.584 -0.283 0.000 1.202 279 A CA -0.473 51.423 52.037 -0.235 0.000 0.837 279 A CB 0.634 19.469 19.000 -0.274 0.000 1.139 279 A HN 0.842 nan 8.150 nan 0.000 0.509 280 E N 1.576 121.557 120.200 -0.365 0.000 2.220 280 E HA 0.258 4.608 4.350 -0.000 0.000 0.256 280 E C -1.733 174.738 176.600 -0.215 0.000 0.881 280 E CA -0.331 55.946 56.400 -0.205 0.000 0.766 280 E CB 1.843 31.479 29.700 -0.106 0.000 1.187 280 E HN 0.544 nan 8.360 nan 0.000 0.419 281 F N 4.208 124.021 119.950 -0.229 0.000 2.406 281 F HA 0.237 4.764 4.527 -0.000 0.000 0.358 281 F C -0.378 175.401 175.800 -0.035 0.000 1.161 281 F CA -0.875 57.083 58.000 -0.070 0.000 1.185 281 F CB -0.465 38.585 39.000 0.083 0.000 1.421 281 F HN 0.463 nan 8.300 nan 0.000 0.576 282 N N 3.617 122.048 118.700 -0.447 0.000 2.806 282 N HA -0.135 4.605 4.740 -0.000 0.000 0.248 282 N C 0.871 176.232 175.510 -0.247 0.000 1.081 282 N CA 0.902 53.682 53.050 -0.451 0.000 0.680 282 N CB -1.355 36.733 38.487 -0.666 0.000 0.941 282 N HN 1.085 nan 8.380 nan 0.000 0.554 283 G N -1.098 107.620 108.800 -0.137 0.000 2.270 283 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.268 283 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.268 283 G C 0.048 174.946 174.900 -0.003 0.000 0.982 283 G CA 0.959 46.056 45.100 -0.005 0.000 0.628 283 G HN 0.760 nan 8.290 nan 0.000 0.544 284 Q N 1.043 120.826 119.800 -0.028 0.000 2.257 284 Q HA 0.528 4.868 4.340 -0.000 0.000 0.255 284 Q C -2.519 173.500 176.000 0.031 0.000 0.920 284 Q CA -2.286 53.526 55.803 0.015 0.000 0.927 284 Q CB 1.574 30.334 28.738 0.036 0.000 1.229 284 Q HN 0.164 nan 8.270 nan 0.000 0.433 285 P HA 0.062 nan 4.420 nan 0.000 0.264 285 P C -1.411 175.908 177.300 0.030 0.000 1.183 285 P CA 0.429 63.539 63.100 0.016 0.000 0.763 285 P CB 0.884 32.596 31.700 0.020 0.000 0.807 286 A N 1.939 124.763 122.820 0.007 0.000 2.438 286 A HA 0.766 5.086 4.320 -0.000 0.000 0.301 286 A C -1.187 176.404 177.584 0.011 0.000 1.101 286 A CA -0.317 51.734 52.037 0.023 0.000 0.621 286 A CB 1.060 20.114 19.000 0.091 0.000 1.350 286 A HN 0.432 nan 8.150 nan 0.000 0.496 287 S N -1.509 114.226 115.700 0.059 0.000 2.560 287 S HA 0.650 5.120 4.470 -0.000 0.000 0.283 287 S C -0.205 174.446 174.600 0.085 0.000 1.141 287 S CA 0.573 58.847 58.200 0.123 0.000 0.902 287 S CB 0.843 64.087 63.200 0.073 0.000 1.104 287 S HN 2.375 nan 8.310 nan 0.000 0.454 288 G N 2.037 110.899 108.800 0.103 0.000 3.257 288 G HA2 0.733 4.693 3.960 -0.000 0.000 0.205 288 G HA3 0.733 4.693 3.960 -0.000 0.000 0.205 288 G C -1.652 173.186 174.900 -0.103 0.000 1.234 288 G CA -0.736 44.276 45.100 -0.147 0.000 0.918 288 G HN 0.760 nan 8.290 nan 0.000 0.602 289 L N 1.071 122.164 121.223 -0.217 0.000 2.372 289 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 289 L C 0.279 177.042 176.870 -0.179 0.000 0.989 289 L CA -0.779 53.997 54.840 -0.107 0.000 0.841 289 L CB 2.120 44.112 42.059 -0.111 0.000 1.225 289 L HN 0.618 nan 8.230 nan 0.000 0.414 290 G N 4.308 113.089 108.800 -0.031 0.000 2.663 290 G HA2 0.478 4.438 3.960 -0.000 0.000 0.320 290 G HA3 0.478 4.438 3.960 -0.000 0.000 0.320 290 G C -0.192 174.486 174.900 -0.370 0.000 0.937 290 G CA -0.313 44.605 45.100 -0.302 0.000 1.332 290 G HN 0.317 nan 8.290 nan 0.000 0.461 291 I N 1.287 121.749 120.570 -0.180 0.000 2.634 291 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 291 I C 0.597 176.826 176.117 0.186 0.000 1.124 291 I CA 0.188 61.482 61.300 -0.010 0.000 1.417 291 I CB 1.286 39.280 38.000 -0.010 0.000 1.396 291 I HN 0.307 nan 8.210 nan 0.000 0.571 292 K N 6.243 126.789 120.400 0.244 0.000 2.427 292 K HA 0.567 4.887 4.320 -0.000 0.000 0.252 292 K C -0.929 175.763 176.600 0.153 0.000 0.931 292 K CA -0.666 55.801 56.287 0.300 0.000 0.793 292 K CB 1.249 33.981 32.500 0.387 0.000 1.211 292 K HN 0.487 nan 8.250 nan 0.000 0.426 293 L N 1.704 122.997 121.223 0.118 0.000 2.464 293 L HA 0.448 4.788 4.340 -0.000 0.000 0.224 293 L C 0.267 177.180 176.870 0.071 0.000 1.219 293 L CA -0.629 54.259 54.840 0.080 0.000 0.831 293 L CB 0.766 42.866 42.059 0.069 0.000 1.284 293 L HN 0.762 nan 8.230 nan 0.000 0.522 294 A N -0.689 122.163 122.820 0.053 0.000 2.355 294 A HA 0.460 4.780 4.320 -0.000 0.000 0.317 294 A C -0.212 177.395 177.584 0.037 0.000 1.094 294 A CA -0.503 51.560 52.037 0.043 0.000 0.764 294 A CB 0.873 19.891 19.000 0.030 0.000 1.230 294 A HN 0.642 nan 8.150 nan 0.000 0.448 295 T N 2.080 116.656 114.554 0.035 0.000 2.476 295 T HA 0.307 4.657 4.350 -0.000 0.000 0.236 295 T C 1.305 176.019 174.700 0.023 0.000 1.100 295 T CA 2.168 64.287 62.100 0.032 0.000 1.485 295 T CB -0.734 68.147 68.868 0.023 0.000 1.093 295 T HN 2.107 nan 8.240 nan 0.000 0.495 296 G N 1.511 110.329 108.800 0.031 0.000 2.141 296 G HA2 0.087 4.047 3.960 -0.000 0.000 0.164 296 G HA3 0.087 4.047 3.960 -0.000 0.000 0.164 296 G C 0.170 175.086 174.900 0.028 0.000 1.009 296 G CA -0.278 44.839 45.100 0.028 0.000 0.677 296 G HN 1.079 nan 8.290 nan 0.000 0.508 297 A N -0.215 122.625 122.820 0.032 0.000 2.296 297 A HA 0.677 4.997 4.320 -0.000 0.000 0.264 297 A C 1.089 178.692 177.584 0.031 0.000 1.097 297 A CA 0.088 52.143 52.037 0.031 0.000 0.811 297 A CB 0.328 19.351 19.000 0.037 0.000 1.072 297 A HN 0.287 nan 8.150 nan 0.000 0.495 298 N N 0.249 118.965 118.700 0.027 0.000 2.251 298 N HA 0.261 5.001 4.740 -0.000 0.000 0.217 298 N C 1.308 176.833 175.510 0.026 0.000 1.124 298 N CA 0.787 53.851 53.050 0.022 0.000 0.843 298 N CB 0.168 38.663 38.487 0.014 0.000 1.024 298 N HN 0.844 nan 8.380 nan 0.000 0.501 299 A N 1.831 124.673 122.820 0.036 0.000 4.905 299 A HA -0.354 3.966 4.320 -0.000 0.000 0.366 299 A C 1.804 179.409 177.584 0.035 0.000 1.613 299 A CA 2.195 54.258 52.037 0.044 0.000 0.721 299 A CB -1.536 17.500 19.000 0.060 0.000 1.500 299 A HN 0.323 nan 8.150 nan 0.000 0.431 300 L N 0.361 121.603 121.223 0.032 0.000 2.103 300 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 300 L C 1.819 178.695 176.870 0.011 0.000 1.080 300 L CA 3.298 58.151 54.840 0.020 0.000 0.764 300 L CB -1.044 41.019 42.059 0.005 0.000 0.890 300 L HN 0.667 nan 8.230 nan 0.000 0.435 301 D N -1.647 118.757 120.400 0.008 0.000 2.117 301 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 301 D C 2.028 178.333 176.300 0.009 0.000 0.982 301 D CA 1.665 55.667 54.000 0.004 0.000 0.828 301 D CB -0.281 40.521 40.800 0.002 0.000 0.967 301 D HN 0.366 nan 8.370 nan 0.000 0.464 302 T N 0.403 114.966 114.554 0.015 0.000 2.588 302 T HA -0.170 4.180 4.350 -0.000 0.000 0.261 302 T C 2.125 176.836 174.700 0.017 0.000 1.069 302 T CA 1.677 63.787 62.100 0.018 0.000 1.172 302 T CB -0.704 68.179 68.868 0.025 0.000 0.863 302 T HN 0.188 nan 8.240 nan 0.000 0.408 303 A N 1.640 124.473 122.820 0.022 0.000 1.958 303 A HA -0.081 4.239 4.320 -0.000 0.000 0.221 303 A C 2.626 180.220 177.584 0.018 0.000 1.178 303 A CA 2.343 54.393 52.037 0.022 0.000 0.642 303 A CB -1.271 17.745 19.000 0.027 0.000 0.816 303 A HN 0.566 nan 8.150 nan 0.000 0.453 304 A N -0.451 122.376 122.820 0.011 0.000 1.883 304 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 304 A C 2.509 180.097 177.584 0.007 0.000 1.186 304 A CA 2.335 54.375 52.037 0.004 0.000 0.624 304 A CB -0.994 18.005 19.000 -0.002 0.000 0.822 304 A HN 1.182 nan 8.150 nan 0.000 0.444 305 A N -0.349 122.476 122.820 0.008 0.000 1.968 305 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 305 A C 2.064 179.655 177.584 0.011 0.000 1.169 305 A CA 1.150 53.192 52.037 0.007 0.000 0.638 305 A CB -0.559 18.444 19.000 0.004 0.000 0.812 305 A HN 0.487 nan 8.150 nan 0.000 0.446 306 I N -0.611 119.967 120.570 0.015 0.000 2.194 306 I HA -0.297 3.873 4.170 -0.000 0.000 0.246 306 I C 2.658 178.793 176.117 0.030 0.000 1.093 306 I CA 1.914 63.224 61.300 0.017 0.000 1.355 306 I CB -0.219 37.791 38.000 0.017 0.000 1.046 306 I HN 0.303 nan 8.210 nan 0.000 0.413 307 R N 1.519 122.045 120.500 0.043 0.000 2.153 307 R HA 0.004 4.344 4.340 -0.000 0.000 0.218 307 R C 2.039 178.366 176.300 0.043 0.000 1.072 307 R CA 1.458 57.597 56.100 0.066 0.000 0.990 307 R CB -0.560 29.778 30.300 0.062 0.000 0.889 307 R HN 0.327 nan 8.270 nan 0.000 0.452 308 A N 0.276 123.110 122.820 0.024 0.000 1.873 308 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 308 A C 2.084 179.674 177.584 0.010 0.000 1.186 308 A CA 1.659 53.704 52.037 0.014 0.000 0.616 308 A CB -0.578 18.426 19.000 0.006 0.000 0.823 308 A HN 0.427 nan 8.150 nan 0.000 0.442 309 E N -0.026 120.177 120.200 0.005 0.000 2.046 309 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 309 E C 1.709 178.304 176.600 -0.008 0.000 0.982 309 E CA 1.039 57.435 56.400 -0.006 0.000 0.800 309 E CB -0.422 29.271 29.700 -0.011 0.000 0.756 309 E HN 0.468 nan 8.360 nan 0.000 0.449 310 L N -0.246 120.982 121.223 0.008 0.000 2.700 310 L HA 0.112 4.452 4.340 -0.000 0.000 0.240 310 L C 1.645 178.538 176.870 0.038 0.000 1.162 310 L CA 0.729 55.581 54.840 0.021 0.000 0.874 310 L CB -0.168 41.915 42.059 0.040 0.000 1.001 310 L HN 0.254 nan 8.230 nan 0.000 0.447 311 A N -0.772 122.064 122.820 0.026 0.000 1.935 311 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 311 A C 2.150 179.738 177.584 0.006 0.000 1.178 311 A CA 0.641 52.697 52.037 0.032 0.000 0.640 311 A CB -0.152 18.866 19.000 0.030 0.000 0.825 311 A HN 0.216 nan 8.150 nan 0.000 0.447 312 K N -0.552 119.842 120.400 -0.009 0.000 2.439 312 K HA 0.138 4.458 4.320 -0.000 0.000 0.197 312 K C 1.552 178.136 176.600 -0.027 0.000 1.041 312 K CA 0.694 56.983 56.287 0.004 0.000 0.970 312 K CB -0.252 32.247 32.500 -0.001 0.000 0.773 312 K HN 0.576 nan 8.250 nan 0.000 0.479 313 M N -0.108 119.397 119.600 -0.157 0.000 2.388 313 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 313 M C 1.527 177.286 176.300 -0.901 0.000 1.088 313 M CA 1.082 56.129 55.300 -0.421 0.000 1.134 313 M CB 0.016 32.377 32.600 -0.399 0.000 1.384 313 M HN 0.059 nan 8.290 nan 0.000 0.447 314 E N 0.416 120.295 120.200 -0.536 0.000 2.118 314 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 314 E C -0.810 175.682 176.600 -0.180 0.000 0.992 314 E CA 1.142 57.364 56.400 -0.297 0.000 0.804 314 E CB -1.161 28.594 29.700 0.091 0.000 0.741 314 E HN 0.431 nan 8.360 nan 0.000 0.458 315 P HA -0.113 nan 4.420 nan 0.000 0.225 315 P C 0.196 177.230 177.300 -0.443 0.000 1.148 315 P CA 1.059 64.016 63.100 -0.240 0.000 0.779 315 P CB 0.096 31.650 31.700 -0.242 0.000 0.780 316 F N -3.628 116.209 119.950 -0.188 0.000 2.698 316 F HA 0.292 4.819 4.527 -0.000 0.000 0.304 316 F C 0.587 176.410 175.800 0.037 0.000 1.108 316 F CA -0.818 57.136 58.000 -0.078 0.000 1.263 316 F CB -0.387 38.569 39.000 -0.073 0.000 1.013 316 F HN -0.278 nan 8.300 nan 0.000 0.532 317 F N 3.388 123.484 119.950 0.244 0.000 2.450 317 F HA 0.310 4.837 4.527 -0.000 0.000 0.339 317 F C -1.283 174.585 175.800 0.113 0.000 1.146 317 F CA -2.877 55.273 58.000 0.251 0.000 1.267 317 F CB -0.241 38.879 39.000 0.200 0.000 1.178 317 F HN -0.115 nan 8.300 nan 0.000 0.585 318 P HA 0.082 nan 4.420 nan 0.000 0.278 318 P C -0.698 176.634 177.300 0.055 0.000 1.258 318 P CA -0.505 62.629 63.100 0.057 0.000 0.811 318 P CB 0.986 32.614 31.700 -0.121 0.000 1.063 319 S N -0.271 115.444 115.700 0.025 0.000 2.596 319 S HA 0.274 4.744 4.470 -0.000 0.000 0.298 319 S C 1.431 176.036 174.600 0.009 0.000 1.255 319 S CA 1.212 59.425 58.200 0.021 0.000 1.083 319 S CB -1.600 61.607 63.200 0.012 0.000 0.837 319 S HN 0.898 nan 8.310 nan 0.000 0.499 320 G N 4.175 112.983 108.800 0.013 0.000 2.420 320 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.221 320 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.221 320 G C 0.232 175.118 174.900 -0.022 0.000 1.117 320 G CA 0.001 45.101 45.100 0.000 0.000 0.657 320 G HN 0.818 nan 8.290 nan 0.000 0.512 321 L N 2.360 123.561 121.223 -0.037 0.000 2.774 321 L HA 0.425 4.765 4.340 -0.000 0.000 0.279 321 L C 0.612 177.363 176.870 -0.198 0.000 1.137 321 L CA 1.257 56.030 54.840 -0.113 0.000 1.021 321 L CB -0.310 41.697 42.059 -0.086 0.000 1.366 321 L HN 0.546 nan 8.230 nan 0.000 0.471 322 K N 4.546 124.835 120.400 -0.184 0.000 2.295 322 K HA 0.642 4.962 4.320 -0.000 0.000 0.239 322 K C -0.759 175.687 176.600 -0.257 0.000 0.991 322 K CA -0.836 55.348 56.287 -0.172 0.000 0.845 322 K CB 1.886 34.348 32.500 -0.064 0.000 1.197 322 K HN 0.500 nan 8.250 nan 0.000 0.441 323 I N 1.853 122.286 120.570 -0.228 0.000 2.607 323 I HA 0.425 4.595 4.170 -0.000 0.000 0.305 323 I C -0.655 175.261 176.117 -0.335 0.000 0.995 323 I CA -1.134 59.966 61.300 -0.333 0.000 1.148 323 I CB 1.944 39.745 38.000 -0.333 0.000 1.323 323 I HN 0.269 nan 8.210 nan 0.000 0.461 324 V N 5.556 125.147 119.914 -0.538 0.000 3.007 324 V HA 0.435 4.555 4.120 -0.000 0.000 0.311 324 V C -1.679 174.029 176.094 -0.644 0.000 1.120 324 V CA -0.394 61.624 62.300 -0.469 0.000 0.980 324 V CB 2.370 33.809 31.823 -0.640 0.000 1.033 324 V HN 0.518 nan 8.190 nan 0.000 0.429 325 Y N 5.497 125.669 120.300 -0.213 0.000 2.944 325 Y HA 0.549 5.099 4.550 -0.000 0.000 0.335 325 Y C -2.149 173.664 175.900 -0.145 0.000 1.075 325 Y CA -2.295 55.694 58.100 -0.186 0.000 1.240 325 Y CB 0.455 38.850 38.460 -0.107 0.000 1.167 325 Y HN 0.521 nan 8.280 nan 0.000 0.555 326 P HA 0.018 nan 4.420 nan 0.000 0.279 326 P C -0.446 176.853 177.300 -0.001 0.000 1.282 326 P CA -0.694 62.395 63.100 -0.020 0.000 0.788 326 P CB 0.488 32.133 31.700 -0.092 0.000 1.139 327 Y N 0.276 120.490 120.300 -0.145 0.000 2.855 327 Y HA -0.313 4.237 4.550 -0.000 0.000 0.220 327 Y C -0.283 175.511 175.900 -0.176 0.000 1.476 327 Y CA -0.095 57.875 58.100 -0.217 0.000 1.075 327 Y CB -0.575 37.638 38.460 -0.412 0.000 1.599 327 Y HN 0.334 nan 8.280 nan 0.000 0.312 328 D N 3.351 123.895 120.400 0.240 0.000 2.523 328 D HA 0.436 5.076 4.640 -0.000 0.000 0.236 328 D C 0.155 176.560 176.300 0.174 0.000 1.094 328 D CA -0.134 53.943 54.000 0.129 0.000 0.942 328 D CB 2.273 43.119 40.800 0.077 0.000 1.447 328 D HN 0.274 nan 8.370 nan 0.000 0.479 329 T N -0.583 114.059 114.554 0.146 0.000 3.111 329 T HA 0.037 4.387 4.350 -0.000 0.000 0.236 329 T C 1.407 176.238 174.700 0.218 0.000 0.984 329 T CA 1.038 63.263 62.100 0.208 0.000 1.195 329 T CB -0.403 68.582 68.868 0.194 0.000 0.929 329 T HN 0.543 nan 8.240 nan 0.000 0.431 330 T N 3.028 117.664 114.554 0.136 0.000 2.582 330 T HA -0.226 4.124 4.350 -0.000 0.000 0.238 330 T C -0.862 173.923 174.700 0.141 0.000 1.283 330 T CA 2.503 64.665 62.100 0.102 0.000 1.101 330 T CB -1.808 67.083 68.868 0.038 0.000 0.823 330 T HN 0.327 nan 8.240 nan 0.000 0.467 331 P HA -0.095 nan 4.420 nan 0.000 0.218 331 P C 1.170 178.691 177.300 0.369 0.000 1.146 331 P CA 0.927 64.165 63.100 0.230 0.000 0.820 331 P CB -0.155 31.683 31.700 0.230 0.000 0.778 332 F N -0.422 119.671 119.950 0.237 0.000 2.234 332 F HA -0.083 4.444 4.527 -0.000 0.000 0.296 332 F C 1.961 177.823 175.800 0.103 0.000 1.089 332 F CA 0.855 59.002 58.000 0.244 0.000 1.343 332 F CB -0.778 38.402 39.000 0.300 0.000 1.040 332 F HN -0.307 nan 8.300 nan 0.000 0.498 333 V N 0.807 120.760 119.914 0.066 0.000 2.295 333 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 333 V C 2.505 178.530 176.094 -0.115 0.000 1.049 333 V CA 2.296 64.542 62.300 -0.089 0.000 1.024 333 V CB -0.834 30.988 31.823 -0.002 0.000 0.648 333 V HN 0.270 nan 8.190 nan 0.000 0.447 334 K N -0.137 120.245 120.400 -0.031 0.000 2.057 334 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 334 K C 2.131 178.710 176.600 -0.034 0.000 1.049 334 K CA 1.823 58.092 56.287 -0.030 0.000 0.931 334 K CB -0.264 32.233 32.500 -0.004 0.000 0.714 334 K HN 0.350 nan 8.250 nan 0.000 0.440 335 I N 1.149 121.703 120.570 -0.027 0.000 2.286 335 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 335 I C 1.753 177.780 176.117 -0.150 0.000 1.115 335 I CA 1.354 62.624 61.300 -0.050 0.000 1.392 335 I CB -0.188 37.775 38.000 -0.060 0.000 1.065 335 I HN 0.110 nan 8.210 nan 0.000 0.418 336 S N 0.566 116.086 115.700 -0.300 0.000 2.356 336 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 336 S C 2.007 176.480 174.600 -0.211 0.000 1.032 336 S CA 1.832 59.813 58.200 -0.365 0.000 1.005 336 S CB -0.451 62.410 63.200 -0.564 0.000 0.867 336 S HN 0.449 nan 8.310 nan 0.000 0.449 337 I N 0.804 121.276 120.570 -0.162 0.000 2.058 337 I HA -0.269 3.901 4.170 -0.000 0.000 0.235 337 I C 2.456 178.552 176.117 -0.036 0.000 1.053 337 I CA 1.973 63.212 61.300 -0.100 0.000 1.313 337 I CB -0.696 37.258 38.000 -0.077 0.000 1.039 337 I HN 0.315 nan 8.210 nan 0.000 0.396 338 H N 1.229 120.243 119.070 -0.094 0.000 2.368 338 H HA -0.240 4.316 4.556 -0.000 0.000 0.292 338 H C 2.123 177.411 175.328 -0.067 0.000 1.117 338 H CA 2.170 58.177 56.048 -0.068 0.000 1.231 338 H CB -0.008 29.718 29.762 -0.060 0.000 1.359 338 H HN 0.274 nan 8.280 nan 0.000 0.490 339 E N -0.267 119.862 120.200 -0.118 0.000 2.015 339 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 339 E C 2.703 179.226 176.600 -0.128 0.000 0.991 339 E CA 1.199 57.503 56.400 -0.161 0.000 0.802 339 E CB -0.702 28.930 29.700 -0.114 0.000 0.759 339 E HN 0.371 nan 8.360 nan 0.000 0.447 340 V N 1.496 121.367 119.914 -0.071 0.000 2.252 340 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 340 V C 2.679 178.747 176.094 -0.043 0.000 1.056 340 V CA 1.697 63.988 62.300 -0.015 0.000 1.022 340 V CB -0.750 31.085 31.823 0.020 0.000 0.641 340 V HN 0.055 nan 8.190 nan 0.000 0.445 341 V N -0.001 119.879 119.914 -0.056 0.000 2.380 341 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 341 V C 2.494 178.533 176.094 -0.093 0.000 1.063 341 V CA 2.389 64.661 62.300 -0.047 0.000 1.055 341 V CB -0.791 31.012 31.823 -0.034 0.000 0.657 341 V HN 0.538 nan 8.190 nan 0.000 0.455 342 K N 0.630 120.927 120.400 -0.172 0.000 2.032 342 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 342 K C 2.139 178.665 176.600 -0.123 0.000 1.048 342 K CA 2.339 58.511 56.287 -0.192 0.000 0.927 342 K CB -1.069 31.256 32.500 -0.292 0.000 0.712 342 K HN 0.467 nan 8.250 nan 0.000 0.441 343 T N 2.601 117.090 114.554 -0.109 0.000 2.737 343 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 343 T C 1.500 176.153 174.700 -0.080 0.000 1.040 343 T CA 1.311 63.355 62.100 -0.094 0.000 1.142 343 T CB -0.306 68.506 68.868 -0.095 0.000 0.861 343 T HN 0.198 nan 8.240 nan 0.000 0.456 344 L N 1.750 122.934 121.223 -0.064 0.000 1.970 344 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 344 L C 2.414 179.250 176.870 -0.056 0.000 1.071 344 L CA 1.974 56.782 54.840 -0.052 0.000 0.751 344 L CB -1.276 40.764 42.059 -0.032 0.000 0.889 344 L HN 0.163 nan 8.230 nan 0.000 0.432 345 V N 0.975 120.853 119.914 -0.059 0.000 2.231 345 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 345 V C 2.640 178.702 176.094 -0.054 0.000 1.054 345 V CA 2.292 64.558 62.300 -0.057 0.000 1.015 345 V CB -0.817 30.970 31.823 -0.060 0.000 0.638 345 V HN 0.495 nan 8.190 nan 0.000 0.444 346 E N 0.350 120.514 120.200 -0.059 0.000 2.097 346 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 346 E C 2.287 178.859 176.600 -0.047 0.000 1.000 346 E CA 1.432 57.800 56.400 -0.052 0.000 0.804 346 E CB -0.406 29.256 29.700 -0.063 0.000 0.740 346 E HN 0.632 nan 8.360 nan 0.000 0.454 347 A N 1.094 123.879 122.820 -0.059 0.000 1.933 347 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 347 A C 2.166 179.732 177.584 -0.030 0.000 1.175 347 A CA 1.111 53.112 52.037 -0.060 0.000 0.628 347 A CB -0.512 18.444 19.000 -0.074 0.000 0.814 347 A HN 0.140 nan 8.150 nan 0.000 0.444 348 I N -0.368 120.186 120.570 -0.027 0.000 2.163 348 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 348 I C 2.230 178.366 176.117 0.032 0.000 1.081 348 I CA 1.312 62.607 61.300 -0.008 0.000 1.353 348 I CB -0.395 37.582 38.000 -0.039 0.000 1.054 348 I HN 0.262 nan 8.210 nan 0.000 0.407 349 I N 0.685 121.261 120.570 0.010 0.000 2.335 349 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 349 I C 2.397 178.588 176.117 0.125 0.000 1.129 349 I CA 1.403 62.734 61.300 0.051 0.000 1.402 349 I CB -0.280 37.726 38.000 0.010 0.000 1.069 349 I HN 0.255 nan 8.210 nan 0.000 0.424 350 L N -0.404 120.855 121.223 0.060 0.000 2.049 350 L HA -0.122 4.218 4.340 -0.000 0.000 0.203 350 L C 2.599 179.497 176.870 0.047 0.000 1.074 350 L CA 0.714 55.577 54.840 0.039 0.000 0.749 350 L CB -0.594 41.456 42.059 -0.014 0.000 0.907 350 L HN 0.065 nan 8.230 nan 0.000 0.439 351 V N -0.214 119.726 119.914 0.043 0.000 2.568 351 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 351 V C 2.303 178.445 176.094 0.080 0.000 1.072 351 V CA 1.629 63.947 62.300 0.030 0.000 1.084 351 V CB -0.345 31.495 31.823 0.028 0.000 0.676 351 V HN 0.390 nan 8.190 nan 0.000 0.469 352 F N 0.385 120.329 119.950 -0.010 0.000 2.102 352 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 352 F C 1.911 177.752 175.800 0.068 0.000 1.105 352 F CA 2.185 60.196 58.000 0.017 0.000 1.239 352 F CB -0.352 38.651 39.000 0.005 0.000 0.991 352 F HN 0.145 nan 8.300 nan 0.000 0.474 353 L N -0.468 120.770 121.223 0.026 0.000 1.994 353 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 353 L C 2.333 179.177 176.870 -0.044 0.000 1.071 353 L CA 1.300 56.119 54.840 -0.036 0.000 0.745 353 L CB -1.197 40.888 42.059 0.042 0.000 0.892 353 L HN -0.043 nan 8.230 nan 0.000 0.431 354 V N -0.544 119.335 119.914 -0.059 0.000 2.828 354 V HA -0.296 3.824 4.120 -0.000 0.000 0.260 354 V C 2.267 178.274 176.094 -0.145 0.000 1.101 354 V CA 1.621 63.844 62.300 -0.129 0.000 1.123 354 V CB -0.541 31.177 31.823 -0.175 0.000 0.704 354 V HN 0.396 nan 8.190 nan 0.000 0.493 355 M N -1.202 118.346 119.600 -0.087 0.000 2.299 355 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 355 M C 1.991 178.319 176.300 0.047 0.000 1.095 355 M CA 1.533 56.805 55.300 -0.046 0.000 1.165 355 M CB -0.549 32.020 32.600 -0.052 0.000 1.349 355 M HN 0.324 nan 8.290 nan 0.000 0.446 356 Y N 0.465 120.659 120.300 -0.176 0.000 2.224 356 Y HA -0.081 4.469 4.550 -0.000 0.000 0.289 356 Y C 1.479 177.450 175.900 0.119 0.000 1.146 356 Y CA 1.662 59.722 58.100 -0.067 0.000 1.182 356 Y CB -0.410 37.937 38.460 -0.187 0.000 0.983 356 Y HN 0.165 nan 8.280 nan 0.000 0.524 357 L N -1.077 120.228 121.223 0.137 0.000 2.675 357 L HA -0.134 4.206 4.340 -0.000 0.000 0.238 357 L C 0.806 177.818 176.870 0.237 0.000 1.155 357 L CA 0.599 55.493 54.840 0.090 0.000 0.881 357 L CB -0.426 41.596 42.059 -0.062 0.000 1.008 357 L HN 0.214 nan 8.230 nan 0.000 0.443 358 F N -1.529 118.369 119.950 -0.087 0.000 2.754 358 F HA 0.254 4.781 4.527 -0.000 0.000 0.316 358 F C 0.803 176.578 175.800 -0.041 0.000 0.959 358 F CA -0.247 57.691 58.000 -0.104 0.000 1.148 358 F CB 0.640 39.585 39.000 -0.091 0.000 0.951 358 F HN -0.241 nan 8.300 nan 0.000 0.625 359 L N 1.236 122.561 121.223 0.170 0.000 2.599 359 L HA 0.278 4.618 4.340 -0.000 0.000 0.241 359 L C 1.418 178.335 176.870 0.079 0.000 1.207 359 L CA -0.097 54.823 54.840 0.135 0.000 0.987 359 L CB 0.888 43.025 42.059 0.129 0.000 1.318 359 L HN 0.148 nan 8.230 nan 0.000 0.458 360 Q N 1.333 121.195 119.800 0.103 0.000 2.207 360 Q HA -0.238 4.102 4.340 -0.000 0.000 0.215 360 Q C 0.487 176.497 176.000 0.015 0.000 1.006 360 Q CA 1.591 57.391 55.803 -0.004 0.000 0.903 360 Q CB 0.108 28.940 28.738 0.157 0.000 0.947 360 Q HN 0.581 nan 8.270 nan 0.000 0.414 361 N N 1.258 120.039 118.700 0.134 0.000 2.394 361 N HA -0.115 4.625 4.740 -0.000 0.000 0.277 361 N C 0.190 175.910 175.510 0.351 0.000 1.346 361 N CA 0.272 53.449 53.050 0.213 0.000 0.910 361 N CB 0.170 38.749 38.487 0.153 0.000 1.201 361 N HN 0.260 nan 8.380 nan 0.000 0.488 362 F N 3.724 123.889 119.950 0.358 0.000 2.307 362 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 362 F C 2.173 178.134 175.800 0.269 0.000 1.076 362 F CA 1.216 59.471 58.000 0.425 0.000 1.383 362 F CB 0.209 39.419 39.000 0.350 0.000 1.055 362 F HN 0.508 nan 8.300 nan 0.000 0.526 363 R N -0.052 120.571 120.500 0.206 0.000 2.080 363 R HA 0.149 4.489 4.340 -0.000 0.000 0.222 363 R C 2.278 178.619 176.300 0.068 0.000 1.107 363 R CA 1.066 57.220 56.100 0.090 0.000 0.980 363 R CB -1.161 29.214 30.300 0.125 0.000 0.879 363 R HN 0.151 nan 8.270 nan 0.000 0.439 364 A N 1.191 124.074 122.820 0.105 0.000 1.930 364 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 364 A C 1.908 179.542 177.584 0.084 0.000 1.175 364 A CA 1.561 53.654 52.037 0.094 0.000 0.627 364 A CB -0.610 18.453 19.000 0.106 0.000 0.815 364 A HN 0.387 nan 8.150 nan 0.000 0.443 365 T N -0.163 114.443 114.554 0.087 0.000 4.099 365 T HA 0.478 4.828 4.350 -0.000 0.000 0.223 365 T C 0.540 175.283 174.700 0.071 0.000 0.968 365 T CA 0.165 62.303 62.100 0.063 0.000 0.966 365 T CB -0.910 67.994 68.868 0.061 0.000 1.328 365 T HN 0.334 nan 8.240 nan 0.000 0.783 366 L N 0.201 121.467 121.223 0.071 0.000 3.066 366 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 366 L C 2.031 178.946 176.870 0.075 0.000 1.101 366 L CA -0.066 54.818 54.840 0.073 0.000 1.022 366 L CB -0.036 42.034 42.059 0.017 0.000 1.600 366 L HN 0.308 nan 8.230 nan 0.000 0.559 367 I N 1.625 122.239 120.570 0.074 0.000 2.099 367 I HA -0.205 3.965 4.170 -0.000 0.000 0.239 367 I C -0.454 175.677 176.117 0.024 0.000 1.066 367 I CA 1.813 63.148 61.300 0.059 0.000 1.324 367 I CB -1.439 36.598 38.000 0.062 0.000 1.037 367 I HN 0.163 nan 8.210 nan 0.000 0.401 368 P HA -0.152 nan 4.420 nan 0.000 0.215 368 P C 1.626 178.934 177.300 0.013 0.000 1.157 368 P CA 1.750 64.859 63.100 0.016 0.000 0.874 368 P CB -0.182 31.535 31.700 0.028 0.000 0.790 369 T N -0.839 113.747 114.554 0.053 0.000 2.897 369 T HA -0.079 4.271 4.350 -0.000 0.000 0.271 369 T C 1.439 176.122 174.700 -0.028 0.000 1.084 369 T CA 1.052 63.174 62.100 0.037 0.000 1.123 369 T CB -0.680 68.238 68.868 0.084 0.000 0.865 369 T HN 0.166 nan 8.240 nan 0.000 0.496 370 I N 0.011 120.557 120.570 -0.039 0.000 4.018 370 I HA 0.278 4.448 4.170 -0.000 0.000 0.337 370 I C 2.242 178.266 176.117 -0.155 0.000 1.327 370 I CA -0.109 61.129 61.300 -0.103 0.000 1.100 370 I CB -0.049 37.892 38.000 -0.099 0.000 1.025 370 I HN 0.126 nan 8.210 nan 0.000 0.396 371 A N 1.404 124.161 122.820 -0.106 0.000 1.844 371 A HA -0.083 4.237 4.320 -0.000 0.000 0.212 371 A C 2.342 179.854 177.584 -0.120 0.000 1.221 371 A CA 1.519 53.486 52.037 -0.117 0.000 0.607 371 A CB -0.900 18.055 19.000 -0.073 0.000 0.878 371 A HN 0.202 nan 8.150 nan 0.000 0.451 372 V N -2.257 117.600 119.914 -0.095 0.000 2.469 372 V HA -0.112 4.008 4.120 -0.000 0.000 0.251 372 V C -0.311 175.708 176.094 -0.125 0.000 1.064 372 V CA 1.947 64.187 62.300 -0.101 0.000 1.066 372 V CB -2.291 29.486 31.823 -0.076 0.000 0.667 372 V HN 0.306 nan 8.190 nan 0.000 0.461 373 P HA -0.126 nan 4.420 nan 0.000 0.213 373 P C 2.112 179.322 177.300 -0.149 0.000 1.170 373 P CA 2.076 65.099 63.100 -0.129 0.000 0.902 373 P CB -0.260 31.370 31.700 -0.116 0.000 0.789 374 V N -0.663 119.154 119.914 -0.161 0.000 2.453 374 V HA -0.209 3.910 4.120 -0.000 0.000 0.252 374 V C 2.395 178.397 176.094 -0.153 0.000 1.068 374 V CA 1.751 63.953 62.300 -0.163 0.000 1.070 374 V CB -1.203 30.500 31.823 -0.201 0.000 0.664 374 V HN -0.022 nan 8.190 nan 0.000 0.461 375 V N -0.481 119.340 119.914 -0.155 0.000 2.283 375 V HA -0.202 3.918 4.120 -0.000 0.000 0.243 375 V C 2.254 178.231 176.094 -0.196 0.000 1.039 375 V CA 1.755 63.963 62.300 -0.153 0.000 1.016 375 V CB -0.540 31.203 31.823 -0.134 0.000 0.650 375 V HN 0.408 nan 8.190 nan 0.000 0.449 376 L N -0.417 120.662 121.223 -0.239 0.000 1.970 376 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 376 L C 2.538 179.106 176.870 -0.502 0.000 1.071 376 L CA 1.756 56.360 54.840 -0.393 0.000 0.751 376 L CB -0.801 41.018 42.059 -0.401 0.000 0.889 376 L HN 0.273 nan 8.230 nan 0.000 0.432 377 L N -0.150 120.873 121.223 -0.334 0.000 2.051 377 L HA -0.237 4.103 4.340 -0.000 0.000 0.214 377 L C 2.690 179.484 176.870 -0.126 0.000 1.076 377 L CA 1.619 56.350 54.840 -0.182 0.000 0.758 377 L CB -1.382 40.629 42.059 -0.079 0.000 0.890 377 L HN 0.414 nan 8.230 nan 0.000 0.433 378 G N -0.903 107.810 108.800 -0.145 0.000 2.440 378 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 378 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 378 G C 1.537 176.367 174.900 -0.116 0.000 1.154 378 G CA 1.342 46.375 45.100 -0.112 0.000 0.767 378 G HN 0.328 nan 8.290 nan 0.000 0.552 379 T N 1.029 115.480 114.554 -0.171 0.000 2.652 379 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 379 T C 2.063 176.764 174.700 0.002 0.000 1.039 379 T CA 1.222 63.241 62.100 -0.134 0.000 1.153 379 T CB -0.489 68.259 68.868 -0.201 0.000 0.863 379 T HN 0.355 nan 8.240 nan 0.000 0.428 380 F N 1.462 121.374 119.950 -0.063 0.000 2.091 380 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 380 F C 2.922 178.677 175.800 -0.074 0.000 1.103 380 F CA 0.564 58.531 58.000 -0.055 0.000 1.228 380 F CB -0.397 38.575 39.000 -0.047 0.000 0.984 380 F HN 0.177 nan 8.300 nan 0.000 0.477 381 A N -0.171 122.717 122.820 0.114 0.000 1.972 381 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 381 A C 2.190 179.727 177.584 -0.079 0.000 1.169 381 A CA 1.737 53.780 52.037 0.010 0.000 0.635 381 A CB -1.018 17.972 19.000 -0.016 0.000 0.810 381 A HN 0.212 nan 8.150 nan 0.000 0.446 382 V N -0.021 119.809 119.914 -0.139 0.000 2.488 382 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 382 V C 2.500 178.327 176.094 -0.445 0.000 1.046 382 V CA 1.486 63.580 62.300 -0.343 0.000 1.053 382 V CB -0.741 30.864 31.823 -0.363 0.000 0.679 382 V HN 0.551 nan 8.190 nan 0.000 0.458 383 L N 0.581 121.700 121.223 -0.175 0.000 1.989 383 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 383 L C 2.812 179.659 176.870 -0.038 0.000 1.071 383 L CA 1.904 56.722 54.840 -0.037 0.000 0.749 383 L CB -0.978 41.188 42.059 0.178 0.000 0.890 383 L HN 0.361 nan 8.230 nan 0.000 0.431 384 A N 0.098 122.912 122.820 -0.011 0.000 1.940 384 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 384 A C 2.455 180.030 177.584 -0.015 0.000 1.176 384 A CA 1.725 53.764 52.037 0.004 0.000 0.631 384 A CB -0.751 18.247 19.000 -0.002 0.000 0.814 384 A HN 0.438 nan 8.150 nan 0.000 0.446 385 A N -1.922 120.844 122.820 -0.091 0.000 2.178 385 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 385 A C 1.536 179.229 177.584 0.183 0.000 1.157 385 A CA 0.955 52.963 52.037 -0.049 0.000 0.689 385 A CB -0.628 18.259 19.000 -0.189 0.000 0.787 385 A HN 0.617 nan 8.150 nan 0.000 0.465 386 F N -2.195 117.629 119.950 -0.211 0.000 2.688 386 F HA 0.316 4.843 4.527 -0.000 0.000 0.310 386 F C 1.802 177.400 175.800 -0.337 0.000 1.098 386 F CA 0.106 57.875 58.000 -0.385 0.000 1.228 386 F CB 0.806 39.342 39.000 -0.773 0.000 1.042 386 F HN 0.414 nan 8.300 nan 0.000 0.557 387 G N 1.260 110.092 108.800 0.054 0.000 2.284 387 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.247 387 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.247 387 G C 0.394 175.444 174.900 0.250 0.000 1.012 387 G CA -0.348 44.822 45.100 0.117 0.000 0.618 387 G HN 0.290 nan 8.290 nan 0.000 0.521 388 F N 2.345 122.347 119.950 0.087 0.000 2.626 388 F HA 0.336 4.863 4.527 -0.000 0.000 0.354 388 F C 1.470 177.268 175.800 -0.002 0.000 1.168 388 F CA 0.336 58.361 58.000 0.042 0.000 1.368 388 F CB 0.568 39.606 39.000 0.063 0.000 1.092 388 F HN 0.426 nan 8.300 nan 0.000 0.612 389 S N 1.748 117.533 115.700 0.142 0.000 2.745 389 S HA 0.533 5.003 4.470 -0.000 0.000 0.306 389 S C -0.499 174.059 174.600 -0.070 0.000 1.137 389 S CA -1.061 57.145 58.200 0.010 0.000 0.900 389 S CB 1.513 64.703 63.200 -0.016 0.000 1.176 389 S HN 0.495 nan 8.310 nan 0.000 0.520 390 I N 2.654 123.133 120.570 -0.152 0.000 2.710 390 I HA 0.061 4.231 4.170 -0.000 0.000 0.307 390 I C 0.118 176.115 176.117 -0.200 0.000 1.175 390 I CA -0.035 61.136 61.300 -0.215 0.000 2.125 390 I CB -1.316 36.509 38.000 -0.291 0.000 1.576 390 I HN 0.411 nan 8.210 nan 0.000 0.995 391 N N 2.730 121.308 118.700 -0.203 0.000 2.476 391 N HA 0.190 4.930 4.740 -0.000 0.000 0.275 391 N C 1.303 176.581 175.510 -0.386 0.000 1.190 391 N CA -0.240 52.653 53.050 -0.262 0.000 0.977 391 N CB 1.149 39.493 38.487 -0.237 0.000 1.200 391 N HN 0.234 nan 8.380 nan 0.000 0.515 392 T N 1.027 115.258 114.554 -0.539 0.000 2.665 392 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 392 T C 2.023 176.223 174.700 -0.832 0.000 1.035 392 T CA 1.298 62.926 62.100 -0.787 0.000 1.151 392 T CB -0.185 68.029 68.868 -1.090 0.000 0.862 392 T HN 0.346 nan 8.240 nan 0.000 0.438 393 L N 1.023 121.866 121.223 -0.633 0.000 1.988 393 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 393 L C 3.101 179.541 176.870 -0.716 0.000 1.071 393 L CA 1.759 56.169 54.840 -0.717 0.000 0.744 393 L CB -1.389 40.391 42.059 -0.464 0.000 0.893 393 L HN 0.427 nan 8.230 nan 0.000 0.433 394 T N -2.974 111.322 114.554 -0.430 0.000 2.969 394 T HA -0.200 4.150 4.350 -0.000 0.000 0.271 394 T C 1.676 176.299 174.700 -0.128 0.000 1.127 394 T CA 1.053 63.017 62.100 -0.227 0.000 1.102 394 T CB -0.089 68.709 68.868 -0.117 0.000 0.855 394 T HN 0.088 nan 8.240 nan 0.000 0.536 395 M N -0.182 119.288 119.600 -0.217 0.000 2.412 395 M HA 0.369 4.849 4.480 -0.000 0.000 0.263 395 M C 2.125 178.450 176.300 0.043 0.000 1.122 395 M CA 0.442 55.700 55.300 -0.070 0.000 1.179 395 M CB -1.211 31.295 32.600 -0.156 0.000 1.335 395 M HN 0.308 nan 8.290 nan 0.000 0.465 396 F N 0.586 120.377 119.950 -0.264 0.000 2.202 396 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 396 F C 2.320 178.156 175.800 0.059 0.000 1.082 396 F CA 0.690 58.595 58.000 -0.158 0.000 1.313 396 F CB -0.476 38.388 39.000 -0.226 0.000 1.024 396 F HN 0.290 nan 8.300 nan 0.000 0.495 397 G N 0.129 109.002 108.800 0.121 0.000 2.422 397 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 397 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 397 G C 1.563 176.592 174.900 0.216 0.000 1.146 397 G CA 0.566 45.879 45.100 0.355 0.000 0.769 397 G HN 0.063 nan 8.290 nan 0.000 0.547 398 M N 0.493 120.160 119.600 0.112 0.000 2.066 398 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 398 M C 2.867 179.194 176.300 0.045 0.000 1.074 398 M CA 0.916 56.240 55.300 0.039 0.000 1.114 398 M CB -1.498 31.111 32.600 0.015 0.000 1.306 398 M HN 0.104 nan 8.290 nan 0.000 0.411 399 V N 0.947 120.898 119.914 0.061 0.000 2.277 399 V HA -0.287 3.833 4.120 -0.000 0.000 0.253 399 V C 2.553 178.659 176.094 0.019 0.000 1.067 399 V CA 1.972 64.282 62.300 0.017 0.000 1.047 399 V CB -1.151 30.671 31.823 -0.002 0.000 0.649 399 V HN 0.377 nan 8.190 nan 0.000 0.447 400 L N 0.878 122.152 121.223 0.086 0.000 1.961 400 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 400 L C 2.525 179.498 176.870 0.171 0.000 1.072 400 L CA 2.466 57.380 54.840 0.124 0.000 0.749 400 L CB -1.208 40.973 42.059 0.203 0.000 0.889 400 L HN 0.214 nan 8.230 nan 0.000 0.432 401 A N -0.186 122.726 122.820 0.153 0.000 1.997 401 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 401 A C 2.282 179.904 177.584 0.064 0.000 1.172 401 A CA 2.190 54.283 52.037 0.092 0.000 0.645 401 A CB -1.142 17.890 19.000 0.052 0.000 0.813 401 A HN 0.609 nan 8.150 nan 0.000 0.454 402 I N -0.530 120.071 120.570 0.051 0.000 2.147 402 I HA -0.369 3.801 4.170 -0.000 0.000 0.245 402 I C 2.630 178.796 176.117 0.081 0.000 1.059 402 I CA 1.580 62.894 61.300 0.024 0.000 1.320 402 I CB -0.722 37.276 38.000 -0.003 0.000 1.021 402 I HN 0.441 nan 8.210 nan 0.000 0.415 403 G N 0.255 109.193 108.800 0.229 0.000 2.394 403 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 403 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 403 G C 1.659 176.631 174.900 0.120 0.000 1.165 403 G CA 0.117 45.474 45.100 0.429 0.000 0.784 403 G HN 0.336 nan 8.290 nan 0.000 0.535 404 L N 0.283 121.527 121.223 0.035 0.000 2.633 404 L HA 0.190 4.530 4.340 -0.000 0.000 0.235 404 L C 2.197 179.005 176.870 -0.103 0.000 1.163 404 L CA 0.150 54.915 54.840 -0.125 0.000 0.859 404 L CB -0.001 41.978 42.059 -0.134 0.000 0.973 404 L HN 0.240 nan 8.230 nan 0.000 0.451 405 L N -2.742 118.450 121.223 -0.053 0.000 2.347 405 L HA -0.013 4.327 4.340 -0.000 0.000 0.196 405 L C 2.275 179.112 176.870 -0.056 0.000 1.072 405 L CA 0.157 54.958 54.840 -0.066 0.000 0.817 405 L CB -0.439 41.583 42.059 -0.062 0.000 1.029 405 L HN -0.093 nan 8.230 nan 0.000 0.478 406 V N 0.360 120.258 119.914 -0.028 0.000 2.392 406 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 406 V C 2.237 178.307 176.094 -0.040 0.000 1.059 406 V CA 2.042 64.328 62.300 -0.023 0.000 1.051 406 V CB -0.583 31.244 31.823 0.007 0.000 0.658 406 V HN 0.490 nan 8.190 nan 0.000 0.455 407 D N 0.668 121.033 120.400 -0.059 0.000 2.156 407 D HA -0.283 4.357 4.640 -0.000 0.000 0.190 407 D C 2.099 178.347 176.300 -0.085 0.000 0.998 407 D CA 2.056 55.999 54.000 -0.095 0.000 0.842 407 D CB -0.512 40.193 40.800 -0.158 0.000 0.974 407 D HN 0.440 nan 8.370 nan 0.000 0.447 408 D N -0.244 120.101 120.400 -0.091 0.000 2.133 408 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 408 D C 1.913 178.180 176.300 -0.053 0.000 0.997 408 D CA 1.806 55.760 54.000 -0.078 0.000 0.840 408 D CB -0.343 40.408 40.800 -0.082 0.000 0.947 408 D HN 0.285 nan 8.370 nan 0.000 0.452 409 A N 0.880 123.670 122.820 -0.051 0.000 1.917 409 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 409 A C 2.569 180.142 177.584 -0.019 0.000 1.182 409 A CA 1.540 53.555 52.037 -0.036 0.000 0.633 409 A CB -0.798 18.179 19.000 -0.038 0.000 0.819 409 A HN 0.394 nan 8.150 nan 0.000 0.448 410 I N -0.647 119.908 120.570 -0.025 0.000 2.133 410 I HA -0.220 3.950 4.170 -0.000 0.000 0.238 410 I C 2.390 178.507 176.117 -0.000 0.000 1.074 410 I CA 1.315 62.606 61.300 -0.014 0.000 1.342 410 I CB -0.619 37.360 38.000 -0.035 0.000 1.053 410 I HN 0.175 nan 8.210 nan 0.000 0.404 411 V N 0.953 120.857 119.914 -0.017 0.000 2.250 411 V HA -0.328 3.792 4.120 -0.000 0.000 0.253 411 V C 2.475 178.589 176.094 0.033 0.000 1.065 411 V CA 2.176 64.474 62.300 -0.003 0.000 1.039 411 V CB -0.837 30.958 31.823 -0.047 0.000 0.647 411 V HN 0.284 nan 8.190 nan 0.000 0.446 412 V N -0.588 119.337 119.914 0.018 0.000 2.469 412 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 412 V C 2.227 178.349 176.094 0.047 0.000 1.064 412 V CA 1.925 64.245 62.300 0.034 0.000 1.066 412 V CB -0.497 31.336 31.823 0.016 0.000 0.667 412 V HN 0.426 nan 8.190 nan 0.000 0.461 413 V N -0.601 119.338 119.914 0.041 0.000 2.283 413 V HA -0.115 4.005 4.120 -0.000 0.000 0.239 413 V C 2.547 178.679 176.094 0.063 0.000 1.035 413 V CA 1.649 63.980 62.300 0.051 0.000 1.018 413 V CB -0.601 31.250 31.823 0.047 0.000 0.658 413 V HN 0.499 nan 8.190 nan 0.000 0.459 414 E N 1.145 121.383 120.200 0.063 0.000 2.086 414 E HA -0.325 4.025 4.350 -0.000 0.000 0.200 414 E C 2.049 178.702 176.600 0.088 0.000 1.012 414 E CA 2.223 58.669 56.400 0.078 0.000 0.812 414 E CB -0.524 29.220 29.700 0.074 0.000 0.743 414 E HN 0.704 nan 8.360 nan 0.000 0.453 415 N N -0.504 118.259 118.700 0.106 0.000 2.149 415 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 415 N C 1.964 177.520 175.510 0.077 0.000 1.019 415 N CA 1.397 54.523 53.050 0.127 0.000 0.857 415 N CB 0.159 38.769 38.487 0.205 0.000 0.997 415 N HN 0.003 nan 8.380 nan 0.000 0.426 416 V N 1.427 121.383 119.914 0.070 0.000 2.515 416 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 416 V C 2.137 178.262 176.094 0.052 0.000 1.058 416 V CA 1.398 63.730 62.300 0.053 0.000 1.064 416 V CB -0.472 31.382 31.823 0.053 0.000 0.675 416 V HN 0.340 nan 8.190 nan 0.000 0.461 417 E N 0.309 120.547 120.200 0.064 0.000 2.110 417 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 417 E C 2.248 178.887 176.600 0.064 0.000 0.988 417 E CA 1.293 57.735 56.400 0.070 0.000 0.804 417 E CB -0.298 29.454 29.700 0.087 0.000 0.745 417 E HN 0.602 nan 8.360 nan 0.000 0.458 418 R N 0.997 121.530 120.500 0.055 0.000 2.088 418 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 418 R C 2.389 178.703 176.300 0.024 0.000 1.136 418 R CA 1.852 57.974 56.100 0.038 0.000 0.926 418 R CB -0.410 29.899 30.300 0.014 0.000 0.837 418 R HN -0.007 nan 8.270 nan 0.000 0.429 419 V N 1.722 121.642 119.914 0.010 0.000 2.317 419 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 419 V C 2.379 178.482 176.094 0.014 0.000 1.065 419 V CA 2.273 64.575 62.300 0.002 0.000 1.049 419 V CB -0.499 31.324 31.823 -0.001 0.000 0.651 419 V HN 0.465 nan 8.190 nan 0.000 0.450 420 M N -0.492 119.123 119.600 0.025 0.000 2.706 420 M HA 0.018 4.498 4.480 -0.000 0.000 0.251 420 M C 1.344 177.663 176.300 0.031 0.000 1.070 420 M CA 1.308 56.625 55.300 0.028 0.000 1.073 420 M CB -0.274 32.347 32.600 0.035 0.000 1.449 420 M HN 0.437 nan 8.290 nan 0.000 0.531 421 A N -1.405 121.436 122.820 0.034 0.000 2.701 421 A HA 0.198 4.518 4.320 -0.000 0.000 0.241 421 A C 1.312 178.917 177.584 0.035 0.000 1.231 421 A CA -0.168 51.894 52.037 0.042 0.000 1.003 421 A CB 0.361 19.403 19.000 0.070 0.000 1.281 421 A HN 0.242 nan 8.150 nan 0.000 0.600 422 E N -0.163 120.049 120.200 0.020 0.000 2.447 422 E HA 0.156 4.506 4.350 -0.000 0.000 0.204 422 E C 1.211 177.811 176.600 -0.001 0.000 0.977 422 E CA 0.724 57.128 56.400 0.007 0.000 0.950 422 E CB 0.411 30.105 29.700 -0.010 0.000 0.975 422 E HN 0.357 nan 8.360 nan 0.000 0.496 423 E N -1.521 118.679 120.200 0.001 0.000 2.568 423 E HA 0.217 4.567 4.350 -0.000 0.000 0.220 423 E C 0.583 177.183 176.600 0.001 0.000 0.869 423 E CA 0.615 57.013 56.400 -0.002 0.000 1.268 423 E CB 1.163 30.860 29.700 -0.006 0.000 1.252 423 E HN 0.154 nan 8.360 nan 0.000 0.606 424 G N 2.033 110.836 108.800 0.006 0.000 2.182 424 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 424 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 424 G C -0.041 174.861 174.900 0.004 0.000 1.042 424 G CA 0.449 45.553 45.100 0.006 0.000 0.775 424 G HN 0.135 nan 8.290 nan 0.000 0.501 425 L N -0.094 121.133 121.223 0.006 0.000 2.504 425 L HA 0.373 4.713 4.340 -0.000 0.000 0.265 425 L C -1.563 175.312 176.870 0.010 0.000 0.975 425 L CA -1.888 52.956 54.840 0.005 0.000 0.864 425 L CB 2.601 44.662 42.059 0.002 0.000 1.212 425 L HN -0.021 nan 8.230 nan 0.000 0.416 426 P HA 0.195 nan 4.420 nan 0.000 0.251 426 P C -2.008 175.300 177.300 0.013 0.000 1.223 426 P CA -0.309 62.801 63.100 0.016 0.000 0.796 426 P CB -0.373 31.338 31.700 0.019 0.000 1.068 427 P HA -0.000 nan 4.420 nan 0.000 0.272 427 P C 1.293 178.597 177.300 0.007 0.000 1.243 427 P CA 0.300 63.403 63.100 0.005 0.000 0.803 427 P CB 0.421 32.122 31.700 0.001 0.000 0.974 428 K N 0.310 120.712 120.400 0.003 0.000 2.063 428 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 428 K C 1.763 178.367 176.600 0.006 0.000 1.048 428 K CA 1.640 57.930 56.287 0.005 0.000 0.928 428 K CB -0.249 32.249 32.500 -0.003 0.000 0.713 428 K HN 0.387 nan 8.250 nan 0.000 0.442 429 E N 0.700 120.901 120.200 0.003 0.000 2.130 429 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 429 E C 1.832 178.435 176.600 0.006 0.000 0.998 429 E CA 1.510 57.912 56.400 0.003 0.000 0.806 429 E CB -0.268 29.432 29.700 0.000 0.000 0.738 429 E HN 0.367 nan 8.360 nan 0.000 0.459 430 A N -0.073 122.751 122.820 0.007 0.000 1.872 430 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 430 A C 2.265 179.858 177.584 0.014 0.000 1.187 430 A CA 1.770 53.812 52.037 0.008 0.000 0.614 430 A CB -0.776 18.230 19.000 0.009 0.000 0.826 430 A HN 0.255 nan 8.150 nan 0.000 0.442 431 T N -0.819 113.746 114.554 0.019 0.000 3.155 431 T HA -0.010 4.340 4.350 -0.000 0.000 0.264 431 T C 1.690 176.405 174.700 0.025 0.000 1.160 431 T CA 1.128 63.244 62.100 0.026 0.000 1.075 431 T CB -0.136 68.749 68.868 0.029 0.000 0.921 431 T HN 0.523 nan 8.240 nan 0.000 0.533 432 R N 1.091 121.602 120.500 0.019 0.000 2.024 432 R HA 0.097 4.437 4.340 -0.000 0.000 0.216 432 R C 1.783 178.093 176.300 0.017 0.000 1.259 432 R CA 0.550 56.660 56.100 0.017 0.000 1.001 432 R CB 0.004 30.310 30.300 0.011 0.000 0.881 432 R HN -0.059 nan 8.270 nan 0.000 0.459 433 K N 1.140 121.547 120.400 0.012 0.000 2.442 433 K HA -0.086 4.234 4.320 -0.000 0.000 0.199 433 K C 1.847 178.455 176.600 0.013 0.000 1.044 433 K CA 1.483 57.776 56.287 0.009 0.000 0.941 433 K CB -0.199 32.302 32.500 0.002 0.000 0.759 433 K HN 0.364 nan 8.250 nan 0.000 0.472 434 S N 0.318 116.029 115.700 0.018 0.000 2.370 434 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 434 S C 1.771 176.402 174.600 0.052 0.000 1.033 434 S CA 1.188 59.404 58.200 0.027 0.000 1.011 434 S CB -0.316 62.904 63.200 0.034 0.000 0.852 434 S HN 0.261 nan 8.310 nan 0.000 0.457 435 M N 1.610 121.240 119.600 0.050 0.000 2.628 435 M HA 0.205 4.685 4.480 -0.000 0.000 0.232 435 M C 2.087 178.418 176.300 0.053 0.000 1.128 435 M CA 0.366 55.703 55.300 0.060 0.000 1.040 435 M CB -0.391 32.234 32.600 0.042 0.000 1.608 435 M HN 0.556 nan 8.290 nan 0.000 0.507 436 G N 0.689 109.514 108.800 0.042 0.000 2.442 436 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 436 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 436 G C 1.465 176.392 174.900 0.045 0.000 1.141 436 G CA 0.695 45.812 45.100 0.029 0.000 0.763 436 G HN 0.508 nan 8.290 nan 0.000 0.554 437 Q N -0.869 118.986 119.800 0.092 0.000 2.378 437 Q HA 0.323 4.663 4.340 -0.000 0.000 0.216 437 Q C 2.345 178.470 176.000 0.208 0.000 0.892 437 Q CA -0.201 55.700 55.803 0.164 0.000 0.931 437 Q CB 0.416 29.292 28.738 0.231 0.000 1.086 437 Q HN 0.503 nan 8.270 nan 0.000 0.528 438 I N 0.617 121.293 120.570 0.177 0.000 2.277 438 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 438 I C 2.608 178.747 176.117 0.037 0.000 1.094 438 I CA 0.753 62.123 61.300 0.116 0.000 1.393 438 I CB -0.302 37.765 38.000 0.112 0.000 1.078 438 I HN 0.216 nan 8.210 nan 0.000 0.417 439 Q N 1.824 121.642 119.800 0.029 0.000 2.062 439 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 439 Q C 2.164 178.149 176.000 -0.026 0.000 0.996 439 Q CA 2.591 58.394 55.803 0.001 0.000 0.859 439 Q CB -0.649 28.089 28.738 -0.000 0.000 0.920 439 Q HN 0.548 nan 8.270 nan 0.000 0.415 440 G N 0.217 108.991 108.800 -0.043 0.000 2.442 440 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 440 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 440 G C 1.503 176.325 174.900 -0.129 0.000 1.141 440 G CA 1.602 46.630 45.100 -0.119 0.000 0.763 440 G HN 0.570 nan 8.290 nan 0.000 0.554 441 A N 0.668 123.459 122.820 -0.049 0.000 1.832 441 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 441 A C 2.429 180.024 177.584 0.018 0.000 1.204 441 A CA 1.220 53.263 52.037 0.010 0.000 0.606 441 A CB -0.567 18.400 19.000 -0.056 0.000 0.849 441 A HN 0.312 nan 8.150 nan 0.000 0.445 442 L N -0.160 121.055 121.223 -0.014 0.000 1.951 442 L HA -0.253 4.087 4.340 -0.000 0.000 0.222 442 L C 2.458 179.322 176.870 -0.010 0.000 1.078 442 L CA 1.863 56.691 54.840 -0.019 0.000 0.778 442 L CB -1.105 40.943 42.059 -0.019 0.000 0.893 442 L HN 0.250 nan 8.230 nan 0.000 0.436 443 V N 0.177 120.083 119.914 -0.012 0.000 2.688 443 V HA -0.219 3.901 4.120 -0.000 0.000 0.256 443 V C 2.367 178.470 176.094 0.016 0.000 1.084 443 V CA 1.848 64.142 62.300 -0.010 0.000 1.103 443 V CB -1.369 30.441 31.823 -0.022 0.000 0.688 443 V HN 0.630 nan 8.190 nan 0.000 0.480 444 G N 0.998 109.826 108.800 0.046 0.000 2.518 444 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 444 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 444 G C 1.509 176.523 174.900 0.189 0.000 1.226 444 G CA 0.721 45.937 45.100 0.193 0.000 0.822 444 G HN 0.570 nan 8.290 nan 0.000 0.546 445 I N 0.179 120.838 120.570 0.149 0.000 2.227 445 I HA -0.249 3.921 4.170 -0.000 0.000 0.250 445 I C 2.761 178.860 176.117 -0.030 0.000 1.087 445 I CA 1.877 63.187 61.300 0.017 0.000 1.352 445 I CB -0.691 37.291 38.000 -0.029 0.000 1.043 445 I HN 0.191 nan 8.210 nan 0.000 0.425 446 A N 1.941 124.747 122.820 -0.023 0.000 1.859 446 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 446 A C 2.381 179.941 177.584 -0.041 0.000 1.198 446 A CA 2.428 54.434 52.037 -0.052 0.000 0.629 446 A CB -0.712 18.265 19.000 -0.038 0.000 0.830 446 A HN 0.512 nan 8.150 nan 0.000 0.446 447 M N -0.275 119.324 119.600 -0.000 0.000 2.267 447 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 447 M C 2.096 178.393 176.300 -0.005 0.000 1.063 447 M CA 1.198 56.504 55.300 0.010 0.000 1.090 447 M CB -1.242 31.384 32.600 0.043 0.000 1.392 447 M HN 0.294 nan 8.290 nan 0.000 0.422 448 V N -0.052 119.848 119.914 -0.024 0.000 2.407 448 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 448 V C 2.456 178.518 176.094 -0.052 0.000 1.041 448 V CA 1.052 63.321 62.300 -0.053 0.000 1.040 448 V CB -0.653 31.109 31.823 -0.101 0.000 0.671 448 V HN 0.357 nan 8.190 nan 0.000 0.455 449 L N 1.202 122.372 121.223 -0.089 0.000 1.994 449 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 449 L C 2.645 179.450 176.870 -0.108 0.000 1.071 449 L CA 1.997 56.748 54.840 -0.149 0.000 0.745 449 L CB -0.926 40.967 42.059 -0.277 0.000 0.892 449 L HN 0.527 nan 8.230 nan 0.000 0.431 450 S N -0.112 115.528 115.700 -0.099 0.000 2.547 450 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 450 S C 1.851 176.470 174.600 0.032 0.000 0.980 450 S CA 0.617 58.801 58.200 -0.026 0.000 0.941 450 S CB -0.232 62.948 63.200 -0.033 0.000 0.763 450 S HN 0.355 nan 8.310 nan 0.000 0.532 451 A N 1.259 124.091 122.820 0.021 0.000 2.123 451 A HA 0.337 4.657 4.320 -0.000 0.000 0.214 451 A C 2.040 179.631 177.584 0.012 0.000 1.152 451 A CA 0.796 52.844 52.037 0.019 0.000 0.728 451 A CB -0.369 18.634 19.000 0.006 0.000 0.814 451 A HN 1.032 nan 8.150 nan 0.000 0.464 452 V N -5.901 114.048 119.914 0.060 0.000 3.528 452 V HA 0.392 4.512 4.120 -0.000 0.000 0.294 452 V C 1.442 177.523 176.094 -0.022 0.000 1.404 452 V CA 0.243 62.537 62.300 -0.011 0.000 1.065 452 V CB -0.691 31.141 31.823 0.015 0.000 0.904 452 V HN 0.198 nan 8.190 nan 0.000 0.435 453 F N 0.497 120.349 119.950 -0.162 0.000 2.482 453 F HA 0.355 4.882 4.527 -0.000 0.000 0.278 453 F C 2.271 177.992 175.800 -0.132 0.000 0.969 453 F CA 1.300 59.215 58.000 -0.141 0.000 1.223 453 F CB -0.395 38.553 39.000 -0.086 0.000 1.140 453 F HN -0.114 nan 8.300 nan 0.000 0.672 454 V N 1.442 121.413 119.914 0.095 0.000 2.324 454 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 454 V C -0.656 175.284 176.094 -0.256 0.000 1.060 454 V CA 2.230 64.488 62.300 -0.069 0.000 1.042 454 V CB -1.881 29.907 31.823 -0.058 0.000 0.650 454 V HN 0.171 nan 8.190 nan 0.000 0.450 455 P HA -0.217 nan 4.420 nan 0.000 0.213 455 P C 2.022 179.299 177.300 -0.038 0.000 1.170 455 P CA 1.690 64.749 63.100 -0.068 0.000 0.898 455 P CB -0.197 31.509 31.700 0.009 0.000 0.787 456 M N -0.753 118.791 119.600 -0.095 0.000 2.358 456 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 456 M C 1.732 178.056 176.300 0.040 0.000 1.064 456 M CA 1.601 56.874 55.300 -0.045 0.000 1.093 456 M CB -0.444 31.994 32.600 -0.271 0.000 1.401 456 M HN -0.149 nan 8.290 nan 0.000 0.440 457 A N 0.345 123.132 122.820 -0.055 0.000 2.139 457 A HA -0.157 4.163 4.320 -0.000 0.000 0.221 457 A C 0.621 178.319 177.584 0.191 0.000 1.159 457 A CA 0.860 52.928 52.037 0.051 0.000 0.662 457 A CB -1.156 17.823 19.000 -0.035 0.000 0.796 457 A HN 0.533 nan 8.150 nan 0.000 0.463 458 F N 2.097 122.164 119.950 0.195 0.000 2.659 458 F HA 0.258 4.785 4.527 -0.000 0.000 0.356 458 F C 0.797 176.629 175.800 0.053 0.000 1.273 458 F CA -1.618 56.423 58.000 0.068 0.000 1.243 458 F CB -1.652 37.350 39.000 0.003 0.000 1.683 458 F HN 0.303 nan 8.300 nan 0.000 0.679 459 F N -0.176 119.948 119.950 0.290 0.000 2.646 459 F HA 0.504 5.031 4.527 -0.000 0.000 0.313 459 F C 0.772 176.695 175.800 0.205 0.000 1.256 459 F CA -0.779 57.371 58.000 0.248 0.000 1.354 459 F CB -0.459 38.665 39.000 0.208 0.000 1.159 459 F HN 0.330 nan 8.300 nan 0.000 0.589 460 G N -2.199 106.776 108.800 0.291 0.000 2.506 460 G HA2 0.568 4.528 3.960 -0.000 0.000 0.292 460 G HA3 0.568 4.528 3.960 -0.000 0.000 0.292 460 G C -0.189 174.809 174.900 0.165 0.000 1.425 460 G CA 0.039 45.220 45.100 0.136 0.000 0.788 460 G HN 1.583 nan 8.290 nan 0.000 0.490 461 G N 0.149 109.012 108.800 0.104 0.000 2.684 461 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.332 461 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.332 461 G C 1.669 176.627 174.900 0.096 0.000 1.306 461 G CA 1.802 46.950 45.100 0.080 0.000 1.002 461 G HN 2.047 nan 8.290 nan 0.000 0.545 462 S N -1.178 114.550 115.700 0.046 0.000 2.503 462 S HA 0.132 4.602 4.470 -0.000 0.000 0.215 462 S C 2.056 176.688 174.600 0.053 0.000 1.003 462 S CA 1.484 59.700 58.200 0.027 0.000 0.910 462 S CB -0.163 63.001 63.200 -0.061 0.000 0.790 462 S HN 0.770 nan 8.310 nan 0.000 0.514 463 T N 1.939 116.529 114.554 0.060 0.000 3.284 463 T HA 0.183 4.533 4.350 -0.000 0.000 0.252 463 T C 1.565 176.344 174.700 0.132 0.000 1.144 463 T CA 0.439 62.581 62.100 0.069 0.000 1.021 463 T CB -0.484 68.347 68.868 -0.062 0.000 0.984 463 T HN 0.485 nan 8.240 nan 0.000 0.545 464 G N 2.473 111.401 108.800 0.213 0.000 2.982 464 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.193 464 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.193 464 G C 1.768 176.633 174.900 -0.057 0.000 1.431 464 G CA 0.790 46.076 45.100 0.310 0.000 0.787 464 G HN 0.518 nan 8.290 nan 0.000 0.720 465 A N -0.290 122.385 122.820 -0.242 0.000 2.093 465 A HA -0.085 4.235 4.320 -0.000 0.000 0.222 465 A C 2.345 179.857 177.584 -0.120 0.000 1.162 465 A CA 1.732 53.572 52.037 -0.328 0.000 0.655 465 A CB -0.386 18.421 19.000 -0.322 0.000 0.805 465 A HN 0.390 nan 8.150 nan 0.000 0.461 466 I N -1.165 119.415 120.570 0.015 0.000 2.043 466 I HA -0.306 3.864 4.170 -0.000 0.000 0.231 466 I C 2.351 178.635 176.117 0.278 0.000 1.024 466 I CA 1.827 63.193 61.300 0.110 0.000 1.309 466 I CB -1.806 36.233 38.000 0.065 0.000 1.030 466 I HN 0.517 nan 8.210 nan 0.000 0.389 467 Y N 0.186 120.612 120.300 0.211 0.000 2.373 467 Y HA -0.152 4.398 4.550 -0.000 0.000 0.293 467 Y C 2.849 178.865 175.900 0.193 0.000 1.129 467 Y CA 0.267 58.499 58.100 0.220 0.000 1.226 467 Y CB -0.096 38.489 38.460 0.207 0.000 1.000 467 Y HN 0.216 nan 8.280 nan 0.000 0.549 468 R N 1.054 121.718 120.500 0.273 0.000 2.126 468 R HA -0.239 4.101 4.340 -0.000 0.000 0.224 468 R C 2.052 178.435 176.300 0.139 0.000 1.128 468 R CA 2.222 58.398 56.100 0.126 0.000 0.895 468 R CB -0.530 29.566 30.300 -0.339 0.000 0.817 468 R HN 0.365 nan 8.270 nan 0.000 0.435 469 Q N -0.300 119.473 119.800 -0.045 0.000 2.028 469 Q HA -0.283 4.057 4.340 -0.000 0.000 0.213 469 Q C 2.139 178.230 176.000 0.153 0.000 1.017 469 Q CA 2.613 58.372 55.803 -0.074 0.000 0.875 469 Q CB -0.525 28.027 28.738 -0.311 0.000 0.962 469 Q HN 0.410 nan 8.270 nan 0.000 0.413 470 F N 0.556 120.566 119.950 0.101 0.000 2.027 470 F HA -0.364 4.163 4.527 -0.000 0.000 0.297 470 F C 2.981 178.891 175.800 0.183 0.000 1.129 470 F CA 1.425 59.513 58.000 0.146 0.000 1.195 470 F CB -0.378 38.721 39.000 0.164 0.000 0.960 470 F HN 0.142 nan 8.300 nan 0.000 0.485 471 S N 0.233 116.168 115.700 0.391 0.000 2.378 471 S HA -0.285 4.185 4.470 -0.000 0.000 0.221 471 S C 1.943 176.770 174.600 0.377 0.000 1.037 471 S CA 1.779 60.178 58.200 0.331 0.000 1.069 471 S CB -0.768 62.536 63.200 0.173 0.000 1.006 471 S HN 0.334 nan 8.310 nan 0.000 0.423 472 I N 1.648 122.403 120.570 0.307 0.000 2.118 472 I HA -0.161 4.009 4.170 -0.000 0.000 0.241 472 I C 2.330 178.600 176.117 0.254 0.000 1.070 472 I CA 2.403 63.878 61.300 0.291 0.000 1.327 472 I CB -1.278 36.954 38.000 0.387 0.000 1.034 472 I HN 0.358 nan 8.210 nan 0.000 0.405 473 T N 1.252 115.969 114.554 0.272 0.000 2.685 473 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 473 T C 1.974 176.762 174.700 0.145 0.000 1.034 473 T CA 2.356 64.576 62.100 0.199 0.000 1.149 473 T CB -0.464 68.511 68.868 0.178 0.000 0.860 473 T HN 0.399 nan 8.240 nan 0.000 0.449 474 I N 0.468 121.164 120.570 0.209 0.000 2.286 474 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 474 I C 2.443 178.541 176.117 -0.032 0.000 1.104 474 I CA 0.709 62.079 61.300 0.116 0.000 1.397 474 I CB -0.410 37.741 38.000 0.251 0.000 1.072 474 I HN 0.089 nan 8.210 nan 0.000 0.417 475 V N 1.192 121.119 119.914 0.021 0.000 2.343 475 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 475 V C 2.694 178.769 176.094 -0.032 0.000 1.051 475 V CA 2.260 64.534 62.300 -0.043 0.000 1.036 475 V CB -0.897 30.958 31.823 0.054 0.000 0.654 475 V HN 0.588 nan 8.190 nan 0.000 0.451 476 S N 1.524 117.228 115.700 0.008 0.000 2.348 476 S HA -0.184 4.286 4.470 -0.000 0.000 0.221 476 S C 2.184 176.744 174.600 -0.066 0.000 1.033 476 S CA 1.361 59.541 58.200 -0.033 0.000 1.010 476 S CB -0.828 62.342 63.200 -0.050 0.000 0.891 476 S HN 0.592 nan 8.310 nan 0.000 0.442 477 A N 2.264 125.046 122.820 -0.064 0.000 1.986 477 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 477 A C 2.245 179.767 177.584 -0.102 0.000 1.171 477 A CA 1.852 53.834 52.037 -0.091 0.000 0.640 477 A CB -0.859 18.095 19.000 -0.078 0.000 0.811 477 A HN 0.686 nan 8.150 nan 0.000 0.451 478 M N -0.238 119.295 119.600 -0.112 0.000 2.139 478 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 478 M C 2.366 178.607 176.300 -0.099 0.000 1.078 478 M CA 2.126 57.348 55.300 -0.131 0.000 1.106 478 M CB -0.496 32.002 32.600 -0.171 0.000 1.275 478 M HN 0.385 nan 8.290 nan 0.000 0.425 479 A N 0.813 123.586 122.820 -0.080 0.000 1.940 479 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 479 A C 2.046 179.591 177.584 -0.065 0.000 1.190 479 A CA 2.182 54.182 52.037 -0.060 0.000 0.647 479 A CB -1.337 17.637 19.000 -0.043 0.000 0.821 479 A HN 0.687 nan 8.150 nan 0.000 0.457 480 L N 0.097 121.273 121.223 -0.077 0.000 1.976 480 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 480 L C 3.082 179.900 176.870 -0.085 0.000 1.071 480 L CA 1.847 56.636 54.840 -0.084 0.000 0.746 480 L CB -0.805 41.193 42.059 -0.101 0.000 0.890 480 L HN 0.614 nan 8.230 nan 0.000 0.432 481 S N -0.610 115.035 115.700 -0.092 0.000 2.400 481 S HA -0.147 4.323 4.470 -0.000 0.000 0.232 481 S C 1.882 176.437 174.600 -0.076 0.000 1.025 481 S CA 1.322 59.468 58.200 -0.090 0.000 0.993 481 S CB -0.920 62.222 63.200 -0.095 0.000 0.808 481 S HN 0.184 nan 8.310 nan 0.000 0.478 482 V N 2.377 122.248 119.914 -0.071 0.000 2.244 482 V HA -0.101 4.019 4.120 -0.000 0.000 0.244 482 V C 2.610 178.677 176.094 -0.045 0.000 1.042 482 V CA 1.849 64.115 62.300 -0.057 0.000 1.006 482 V CB -0.951 30.840 31.823 -0.053 0.000 0.641 482 V HN 0.453 nan 8.190 nan 0.000 0.446 483 L N -0.134 121.062 121.223 -0.045 0.000 2.043 483 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 483 L C 2.485 179.332 176.870 -0.039 0.000 1.075 483 L CA 1.265 56.084 54.840 -0.035 0.000 0.752 483 L CB -0.799 41.238 42.059 -0.037 0.000 0.891 483 L HN 0.217 nan 8.230 nan 0.000 0.432 484 V N 0.121 120.000 119.914 -0.058 0.000 2.343 484 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 484 V C 2.258 178.319 176.094 -0.055 0.000 1.051 484 V CA 1.697 63.953 62.300 -0.072 0.000 1.036 484 V CB -0.798 30.966 31.823 -0.099 0.000 0.654 484 V HN 0.490 nan 8.190 nan 0.000 0.451 485 A N -1.288 121.504 122.820 -0.048 0.000 2.268 485 A HA 0.347 4.667 4.320 -0.000 0.000 0.221 485 A C 1.469 179.043 177.584 -0.017 0.000 1.287 485 A CA 0.634 52.651 52.037 -0.033 0.000 0.902 485 A CB -0.348 18.629 19.000 -0.039 0.000 0.877 485 A HN 0.563 nan 8.150 nan 0.000 0.487 486 L N -2.585 118.630 121.223 -0.012 0.000 3.679 486 L HA 0.338 4.678 4.340 -0.000 0.000 0.342 486 L C 1.199 178.077 176.870 0.014 0.000 1.170 486 L CA 0.190 55.030 54.840 0.001 0.000 1.221 486 L CB 0.295 42.351 42.059 -0.004 0.000 1.654 486 L HN 0.365 nan 8.230 nan 0.000 0.628 487 I N -1.628 118.948 120.570 0.010 0.000 3.685 487 I HA 0.002 4.172 4.170 -0.000 0.000 0.258 487 I C 1.617 177.755 176.117 0.035 0.000 1.135 487 I CA 0.086 61.404 61.300 0.031 0.000 1.436 487 I CB 0.315 38.331 38.000 0.025 0.000 1.670 487 I HN 0.009 nan 8.210 nan 0.000 0.424 488 L N 1.038 122.250 121.223 -0.019 0.000 1.993 488 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 488 L C 2.379 179.235 176.870 -0.022 0.000 1.074 488 L CA 2.388 57.183 54.840 -0.075 0.000 0.746 488 L CB -0.892 41.038 42.059 -0.215 0.000 0.896 488 L HN 0.167 nan 8.230 nan 0.000 0.435 489 T N 0.778 115.311 114.554 -0.036 0.000 2.597 489 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 489 T C -0.429 174.298 174.700 0.044 0.000 1.053 489 T CA 2.372 64.471 62.100 -0.001 0.000 1.165 489 T CB -1.358 67.501 68.868 -0.014 0.000 0.863 489 T HN 0.309 nan 8.240 nan 0.000 0.427 490 P HA -0.085 nan 4.420 nan 0.000 0.213 490 P C 1.625 178.970 177.300 0.075 0.000 1.170 490 P CA 1.586 64.716 63.100 0.051 0.000 0.902 490 P CB -0.281 31.443 31.700 0.040 0.000 0.789 491 A N -0.575 122.304 122.820 0.098 0.000 1.865 491 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 491 A C 2.315 180.007 177.584 0.182 0.000 1.191 491 A CA 1.760 53.876 52.037 0.131 0.000 0.623 491 A CB -1.770 17.343 19.000 0.187 0.000 0.826 491 A HN 0.157 nan 8.150 nan 0.000 0.444 492 L N -0.668 120.732 121.223 0.294 0.000 1.989 492 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 492 L C 2.729 179.710 176.870 0.185 0.000 1.071 492 L CA 2.128 57.193 54.840 0.375 0.000 0.749 492 L CB -0.478 41.835 42.059 0.423 0.000 0.890 492 L HN 0.609 nan 8.230 nan 0.000 0.431 493 C N -0.260 119.117 119.300 0.130 0.000 2.413 493 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 493 C C 2.925 177.957 174.990 0.070 0.000 1.265 493 C CA 0.927 59.998 59.018 0.088 0.000 1.752 493 C CB -1.019 26.762 27.740 0.068 0.000 1.998 493 C HN 0.689 nan 8.230 nan 0.000 0.489 494 A N -0.369 122.490 122.820 0.065 0.000 1.835 494 A HA -0.024 4.296 4.320 -0.000 0.000 0.213 494 A C 2.269 179.868 177.584 0.026 0.000 1.210 494 A CA 2.204 54.264 52.037 0.040 0.000 0.605 494 A CB -1.544 17.475 19.000 0.031 0.000 0.860 494 A HN 0.537 nan 8.150 nan 0.000 0.447 495 T N -0.892 113.675 114.554 0.022 0.000 2.653 495 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 495 T C 0.773 175.464 174.700 -0.015 0.000 1.037 495 T CA 1.922 64.010 62.100 -0.019 0.000 1.159 495 T CB -0.236 68.598 68.868 -0.057 0.000 0.859 495 T HN 0.418 nan 8.240 nan 0.000 0.449 496 M N -0.074 119.536 119.600 0.017 0.000 2.265 496 M HA 0.406 4.886 4.480 -0.000 0.000 0.262 496 M C -1.306 175.025 176.300 0.052 0.000 1.026 496 M CA -0.562 54.751 55.300 0.023 0.000 0.987 496 M CB 1.919 34.522 32.600 0.006 0.000 1.937 496 M HN 0.164 nan 8.290 nan 0.000 0.481 497 L N 3.822 125.075 121.223 0.050 0.000 2.860 497 L HA 0.502 4.841 4.340 -0.000 0.000 0.251 497 L C -0.072 176.837 176.870 0.064 0.000 1.041 497 L CA 1.037 55.914 54.840 0.062 0.000 0.985 497 L CB 0.070 42.165 42.059 0.059 0.000 1.656 497 L HN 0.696 nan 8.230 nan 0.000 0.526 514 G N 0.701 109.365 108.800 -0.228 0.000 2.485 514 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.221 514 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.221 514 G C 1.001 175.961 174.900 0.099 0.000 1.115 514 G CA 0.970 46.010 45.100 -0.100 0.000 0.751 514 G HN 0.634 nan 8.290 nan 0.000 0.567 515 W N 0.599 122.054 121.300 0.258 0.000 2.335 515 W HA -0.021 4.638 4.660 -0.000 0.000 0.311 515 W C 2.229 178.841 176.519 0.155 0.000 1.213 515 W CA 0.303 57.744 57.345 0.159 0.000 1.274 515 W CB -1.710 27.803 29.460 0.089 0.000 1.148 515 W HN 0.182 nan 8.180 nan 0.000 0.498 516 F N 1.482 121.549 119.950 0.195 0.000 2.045 516 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 516 F C 2.274 178.078 175.800 0.007 0.000 1.114 516 F CA 1.891 59.905 58.000 0.023 0.000 1.207 516 F CB -1.690 37.162 39.000 -0.248 0.000 0.964 516 F HN -0.070 nan 8.300 nan 0.000 0.486 517 N N 0.301 119.094 118.700 0.155 0.000 2.104 517 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 517 N C 1.942 177.548 175.510 0.161 0.000 1.024 517 N CA 1.476 54.578 53.050 0.086 0.000 0.853 517 N CB -0.456 38.050 38.487 0.032 0.000 1.008 517 N HN 0.379 nan 8.380 nan 0.000 0.424 518 R N 0.332 120.944 120.500 0.186 0.000 2.070 518 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 518 R C 2.343 178.748 176.300 0.176 0.000 1.138 518 R CA 1.029 57.238 56.100 0.182 0.000 0.936 518 R CB -0.339 30.082 30.300 0.202 0.000 0.839 518 R HN 0.181 nan 8.270 nan 0.000 0.429 519 M N 0.279 119.982 119.600 0.173 0.000 2.065 519 M HA -0.148 4.332 4.480 -0.000 0.000 0.259 519 M C 1.960 178.330 176.300 0.117 0.000 1.069 519 M CA 1.819 57.173 55.300 0.090 0.000 1.110 519 M CB -0.523 32.064 32.600 -0.022 0.000 1.328 519 M HN 0.041 nan 8.290 nan 0.000 0.405 520 F N 0.896 120.823 119.950 -0.038 0.000 2.202 520 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 520 F C 2.500 178.257 175.800 -0.071 0.000 1.082 520 F CA 1.766 59.740 58.000 -0.044 0.000 1.313 520 F CB -0.860 38.126 39.000 -0.024 0.000 1.024 520 F HN 0.389 nan 8.300 nan 0.000 0.495 521 E N 0.475 120.759 120.200 0.140 0.000 2.001 521 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 521 E C 2.185 178.837 176.600 0.087 0.000 1.002 521 E CA 1.396 57.811 56.400 0.024 0.000 0.819 521 E CB 0.028 29.803 29.700 0.126 0.000 0.769 521 E HN 0.050 nan 8.360 nan 0.000 0.454 522 K N 0.932 121.480 120.400 0.246 0.000 2.034 522 K HA -0.189 4.131 4.320 -0.000 0.000 0.214 522 K C 2.209 178.923 176.600 0.190 0.000 1.051 522 K CA 1.467 57.958 56.287 0.340 0.000 0.931 522 K CB -1.010 31.613 32.500 0.206 0.000 0.715 522 K HN 0.085 nan 8.250 nan 0.000 0.446 523 S N -0.200 115.540 115.700 0.068 0.000 2.531 523 S HA -0.256 4.214 4.470 -0.000 0.000 0.235 523 S C 1.935 176.598 174.600 0.104 0.000 1.061 523 S CA 2.652 60.874 58.200 0.036 0.000 1.250 523 S CB -0.948 62.172 63.200 -0.134 0.000 1.183 523 S HN 0.441 nan 8.310 nan 0.000 0.413 524 T N 1.308 115.867 114.554 0.008 0.000 2.699 524 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 524 T C 1.347 176.121 174.700 0.123 0.000 1.036 524 T CA 1.906 64.021 62.100 0.026 0.000 1.147 524 T CB -0.586 68.258 68.868 -0.039 0.000 0.862 524 T HN 0.591 nan 8.240 nan 0.000 0.446 525 H N -0.542 118.514 119.070 -0.023 0.000 3.109 525 H HA 0.141 4.697 4.556 -0.000 0.000 0.299 525 H C 2.267 177.558 175.328 -0.061 0.000 1.335 525 H CA -0.224 55.760 56.048 -0.108 0.000 1.890 525 H CB -0.020 29.579 29.762 -0.272 0.000 1.595 525 H HN 0.180 nan 8.280 nan 0.000 0.756 526 H N -0.198 119.004 119.070 0.221 0.000 2.297 526 H HA -0.317 4.239 4.556 -0.000 0.000 0.277 526 H C 2.159 177.542 175.328 0.092 0.000 1.141 526 H CA 2.451 58.584 56.048 0.141 0.000 1.159 526 H CB -1.010 28.839 29.762 0.145 0.000 1.378 526 H HN 0.456 nan 8.280 nan 0.000 0.482 527 Y N 1.443 121.753 120.300 0.017 0.000 2.159 527 Y HA -0.213 4.337 4.550 -0.000 0.000 0.263 527 Y C 2.847 178.670 175.900 -0.127 0.000 1.082 527 Y CA 2.080 60.028 58.100 -0.253 0.000 1.072 527 Y CB -0.886 37.387 38.460 -0.311 0.000 1.003 527 Y HN 0.137 nan 8.280 nan 0.000 0.474 528 T N 0.834 115.242 114.554 -0.243 0.000 2.653 528 T HA -0.297 4.053 4.350 -0.000 0.000 0.267 528 T C 1.291 175.885 174.700 -0.176 0.000 1.037 528 T CA 2.130 64.076 62.100 -0.257 0.000 1.159 528 T CB -0.686 68.158 68.868 -0.040 0.000 0.859 528 T HN 0.434 nan 8.240 nan 0.000 0.449 529 D N 0.974 121.329 120.400 -0.075 0.000 2.078 529 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 529 D C 2.519 178.795 176.300 -0.041 0.000 0.990 529 D CA 1.714 55.684 54.000 -0.049 0.000 0.827 529 D CB -0.489 40.295 40.800 -0.027 0.000 0.975 529 D HN 0.510 nan 8.370 nan 0.000 0.451 530 S N 0.168 115.875 115.700 0.011 0.000 2.400 530 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 530 S C 2.168 176.793 174.600 0.041 0.000 1.025 530 S CA 1.019 59.275 58.200 0.093 0.000 0.993 530 S CB -0.843 62.522 63.200 0.275 0.000 0.808 530 S HN 0.110 nan 8.310 nan 0.000 0.478 531 V N 2.645 122.499 119.914 -0.100 0.000 2.255 531 V HA -0.120 3.999 4.120 -0.000 0.000 0.247 531 V C 2.993 179.006 176.094 -0.135 0.000 1.051 531 V CA 2.026 64.251 62.300 -0.125 0.000 1.018 531 V CB -1.801 29.837 31.823 -0.309 0.000 0.641 531 V HN 0.651 nan 8.190 nan 0.000 0.445 532 G N -0.226 108.482 108.800 -0.154 0.000 2.469 532 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 532 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 532 G C 1.582 176.387 174.900 -0.158 0.000 1.136 532 G CA 1.117 46.113 45.100 -0.174 0.000 0.759 532 G HN 0.617 nan 8.290 nan 0.000 0.562 533 G N 1.808 110.552 108.800 -0.093 0.000 2.511 533 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 533 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 533 G C 1.869 176.700 174.900 -0.114 0.000 1.218 533 G CA 1.267 46.331 45.100 -0.059 0.000 0.788 533 G HN 0.717 nan 8.290 nan 0.000 0.560 534 I N -1.044 119.455 120.570 -0.119 0.000 2.335 534 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 534 I C 2.546 178.338 176.117 -0.542 0.000 1.129 534 I CA 1.035 62.165 61.300 -0.283 0.000 1.402 534 I CB -0.396 37.603 38.000 -0.000 0.000 1.069 534 I HN 0.112 nan 8.210 nan 0.000 0.424 535 L N 0.864 121.770 121.223 -0.527 0.000 2.046 535 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 535 L C 3.023 179.601 176.870 -0.487 0.000 1.077 535 L CA 1.549 55.972 54.840 -0.695 0.000 0.747 535 L CB -0.641 41.108 42.059 -0.516 0.000 0.896 535 L HN 0.223 nan 8.230 nan 0.000 0.432 536 R N 0.130 120.447 120.500 -0.306 0.000 2.091 536 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 536 R C 1.349 177.554 176.300 -0.158 0.000 1.136 536 R CA 1.206 57.190 56.100 -0.194 0.000 0.959 536 R CB -0.473 29.754 30.300 -0.122 0.000 0.856 536 R HN 0.456 nan 8.270 nan 0.000 0.437 537 S N -1.037 114.563 115.700 -0.167 0.000 2.645 537 S HA 0.325 4.795 4.470 -0.000 0.000 0.266 537 S C 0.475 175.070 174.600 -0.008 0.000 1.258 537 S CA -0.435 57.739 58.200 -0.044 0.000 0.990 537 S CB 2.154 65.368 63.200 0.022 0.000 0.967 537 S HN 0.097 nan 8.310 nan 0.000 0.556 538 T N -0.097 114.562 114.554 0.174 0.000 3.759 538 T HA 0.249 4.599 4.350 -0.000 0.000 0.245 538 T C 1.784 176.656 174.700 0.287 0.000 0.867 538 T CA 0.060 62.330 62.100 0.284 0.000 1.116 538 T CB -1.332 67.618 68.868 0.137 0.000 1.028 538 T HN 0.688 nan 8.240 nan 0.000 0.381 539 G N 1.894 110.804 108.800 0.184 0.000 2.553 539 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 539 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 539 G C 1.448 176.453 174.900 0.175 0.000 1.195 539 G CA 1.818 47.008 45.100 0.149 0.000 0.779 539 G HN 0.477 nan 8.290 nan 0.000 0.577 540 R N -0.942 119.684 120.500 0.211 0.000 2.094 540 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 540 R C 2.438 178.851 176.300 0.188 0.000 1.137 540 R CA 1.836 58.049 56.100 0.190 0.000 0.943 540 R CB -0.497 29.938 30.300 0.225 0.000 0.850 540 R HN 0.444 nan 8.270 nan 0.000 0.433 541 Y N 0.320 120.679 120.300 0.098 0.000 2.242 541 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 541 Y C 2.014 177.915 175.900 0.003 0.000 1.137 541 Y CA 1.018 59.132 58.100 0.023 0.000 1.181 541 Y CB -0.437 38.002 38.460 -0.035 0.000 0.989 541 Y HN 0.155 nan 8.280 nan 0.000 0.527 542 L N -0.707 120.639 121.223 0.206 0.000 2.046 542 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 542 L C 2.117 179.069 176.870 0.136 0.000 1.077 542 L CA 1.448 56.363 54.840 0.126 0.000 0.747 542 L CB -0.798 41.325 42.059 0.106 0.000 0.896 542 L HN 0.032 nan 8.230 nan 0.000 0.432 543 V N -0.701 119.277 119.914 0.106 0.000 2.427 543 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 543 V C 2.447 178.571 176.094 0.050 0.000 1.051 543 V CA 1.519 63.863 62.300 0.073 0.000 1.048 543 V CB -0.673 31.179 31.823 0.047 0.000 0.666 543 V HN 0.484 nan 8.190 nan 0.000 0.456 544 L N -0.364 120.868 121.223 0.016 0.000 2.046 544 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 544 L C 2.327 179.190 176.870 -0.010 0.000 1.077 544 L CA 2.088 56.896 54.840 -0.053 0.000 0.747 544 L CB -0.915 41.041 42.059 -0.171 0.000 0.896 544 L HN 0.475 nan 8.230 nan 0.000 0.432 545 Y N -0.309 119.947 120.300 -0.073 0.000 2.165 545 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 545 Y C 2.171 178.049 175.900 -0.035 0.000 1.155 545 Y CA 2.009 60.075 58.100 -0.057 0.000 1.164 545 Y CB -0.371 38.065 38.460 -0.041 0.000 0.978 545 Y HN 0.197 nan 8.280 nan 0.000 0.513 546 L N -0.287 121.074 121.223 0.231 0.000 2.042 546 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 546 L C 2.469 179.333 176.870 -0.010 0.000 1.076 546 L CA 1.679 56.599 54.840 0.133 0.000 0.749 546 L CB -0.712 41.420 42.059 0.122 0.000 0.893 546 L HN 0.288 nan 8.230 nan 0.000 0.432 547 I N 0.030 120.583 120.570 -0.028 0.000 2.163 547 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 547 I C 2.495 178.555 176.117 -0.095 0.000 1.085 547 I CA 1.616 62.881 61.300 -0.057 0.000 1.347 547 I CB -0.352 37.609 38.000 -0.064 0.000 1.044 547 I HN 0.184 nan 8.210 nan 0.000 0.408 548 I N 0.266 120.743 120.570 -0.155 0.000 2.194 548 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 548 I C 2.533 178.532 176.117 -0.198 0.000 1.093 548 I CA 1.362 62.544 61.300 -0.196 0.000 1.355 548 I CB -0.476 37.350 38.000 -0.290 0.000 1.046 548 I HN 0.064 nan 8.210 nan 0.000 0.413 549 V N 0.318 120.081 119.914 -0.253 0.000 2.358 549 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 549 V C 2.433 178.485 176.094 -0.070 0.000 1.047 549 V CA 1.377 63.568 62.300 -0.183 0.000 1.035 549 V CB -0.381 31.346 31.823 -0.159 0.000 0.658 549 V HN 0.228 nan 8.190 nan 0.000 0.452 550 V N 1.126 121.012 119.914 -0.046 0.000 2.237 550 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 550 V C 2.717 178.826 176.094 0.024 0.000 1.046 550 V CA 2.361 64.658 62.300 -0.004 0.000 1.007 550 V CB -1.569 30.247 31.823 -0.012 0.000 0.638 550 V HN 0.589 nan 8.190 nan 0.000 0.445 551 G N -0.885 107.917 108.800 0.004 0.000 2.442 551 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.219 551 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.219 551 G C 1.644 176.597 174.900 0.088 0.000 1.141 551 G CA 1.301 46.429 45.100 0.048 0.000 0.763 551 G HN 0.451 nan 8.290 nan 0.000 0.554 552 M N 0.823 120.439 119.600 0.027 0.000 2.080 552 M HA -0.047 4.433 4.480 -0.000 0.000 0.260 552 M C 2.826 179.190 176.300 0.107 0.000 1.068 552 M CA 1.974 57.291 55.300 0.029 0.000 1.109 552 M CB -0.250 32.315 32.600 -0.059 0.000 1.342 552 M HN 0.288 nan 8.290 nan 0.000 0.405 553 A N -0.124 122.760 122.820 0.106 0.000 1.869 553 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 553 A C 1.978 179.696 177.584 0.224 0.000 1.203 553 A CA 2.150 54.291 52.037 0.173 0.000 0.638 553 A CB -1.654 17.423 19.000 0.128 0.000 0.831 553 A HN 0.751 nan 8.150 nan 0.000 0.450 554 Y N 0.574 120.915 120.300 0.067 0.000 2.081 554 Y HA -0.180 4.370 4.550 -0.000 0.000 0.280 554 Y C 1.936 177.875 175.900 0.066 0.000 1.163 554 Y CA 1.973 60.102 58.100 0.049 0.000 1.135 554 Y CB -0.453 38.021 38.460 0.024 0.000 0.970 554 Y HN 0.222 nan 8.280 nan 0.000 0.498 555 L N -1.097 120.177 121.223 0.085 0.000 2.633 555 L HA -0.155 4.185 4.340 -0.000 0.000 0.235 555 L C 1.509 178.438 176.870 0.099 0.000 1.163 555 L CA 0.715 55.565 54.840 0.017 0.000 0.859 555 L CB -0.473 41.643 42.059 0.095 0.000 0.973 555 L HN 0.266 nan 8.230 nan 0.000 0.451 556 F N -1.720 118.201 119.950 -0.049 0.000 2.752 556 F HA 0.160 4.687 4.527 -0.000 0.000 0.310 556 F C 1.640 177.412 175.800 -0.047 0.000 1.097 556 F CA 0.247 58.237 58.000 -0.017 0.000 1.238 556 F CB 0.398 39.402 39.000 0.007 0.000 1.061 556 F HN -0.262 nan 8.300 nan 0.000 0.591 557 V N 0.296 120.145 119.914 -0.109 0.000 2.825 557 V HA 0.046 4.166 4.120 -0.000 0.000 0.246 557 V C 2.094 178.050 176.094 -0.230 0.000 1.068 557 V CA 0.922 63.116 62.300 -0.177 0.000 1.088 557 V CB -0.299 31.497 31.823 -0.045 0.000 0.733 557 V HN 0.061 nan 8.190 nan 0.000 0.468 558 R N -0.089 120.227 120.500 -0.306 0.000 2.300 558 R HA 0.270 4.610 4.340 -0.000 0.000 0.199 558 R C 0.673 176.829 176.300 -0.240 0.000 0.920 558 R CA -0.030 55.879 56.100 -0.317 0.000 1.046 558 R CB -0.244 29.732 30.300 -0.540 0.000 0.984 558 R HN 0.374 nan 8.270 nan 0.000 0.493 559 L N 4.843 125.933 121.223 -0.222 0.000 2.456 559 L HA 0.159 4.499 4.340 -0.000 0.000 0.277 559 L C -1.798 174.967 176.870 -0.174 0.000 1.124 559 L CA -1.468 53.266 54.840 -0.175 0.000 0.880 559 L CB 0.732 42.718 42.059 -0.123 0.000 1.192 559 L HN -0.106 nan 8.230 nan 0.000 0.463 560 P HA -0.004 nan 4.420 nan 0.000 0.268 560 P C -0.837 176.407 177.300 -0.094 0.000 1.208 560 P CA -0.153 62.880 63.100 -0.112 0.000 0.777 560 P CB 1.202 32.847 31.700 -0.092 0.000 0.875 561 S N 0.757 116.416 115.700 -0.068 0.000 2.593 561 S HA 0.628 5.098 4.470 -0.000 0.000 0.297 561 S C -0.767 173.834 174.600 0.003 0.000 1.112 561 S CA -0.319 57.865 58.200 -0.026 0.000 1.043 561 S CB 0.303 63.487 63.200 -0.026 0.000 1.054 561 S HN 0.477 nan 8.310 nan 0.000 0.516 562 S N 2.440 118.164 115.700 0.039 0.000 2.543 562 S HA 0.340 4.809 4.470 -0.000 0.000 0.273 562 S C -0.292 174.370 174.600 0.103 0.000 1.152 562 S CA -0.648 57.588 58.200 0.059 0.000 0.910 562 S CB 1.147 64.362 63.200 0.024 0.000 1.105 562 S HN 0.709 nan 8.310 nan 0.000 0.465 563 F N 2.738 122.674 119.950 -0.023 0.000 1.982 563 F HA 0.307 4.834 4.527 -0.000 0.000 0.296 563 F C 0.256 176.019 175.800 -0.062 0.000 1.199 563 F CA 1.529 59.507 58.000 -0.037 0.000 1.174 563 F CB -0.042 38.927 39.000 -0.051 0.000 0.963 563 F HN 0.483 nan 8.300 nan 0.000 0.495 564 L N 0.675 121.707 121.223 -0.319 0.000 2.388 564 L HA 0.466 4.806 4.340 -0.000 0.000 0.264 564 L C -2.478 174.318 176.870 -0.123 0.000 0.998 564 L CA -2.221 52.344 54.840 -0.459 0.000 0.817 564 L CB 1.588 43.267 42.059 -0.632 0.000 1.338 564 L HN 0.039 nan 8.230 nan 0.000 0.414 565 P HA 0.102 nan 4.420 nan 0.000 0.271 565 P C -1.335 176.021 177.300 0.092 0.000 1.220 565 P CA -0.164 62.959 63.100 0.038 0.000 0.768 565 P CB 0.608 32.369 31.700 0.101 0.000 0.848 566 D N 3.378 123.827 120.400 0.082 0.000 2.295 566 D HA 0.144 4.784 4.640 -0.000 0.000 0.248 566 D C 0.655 177.018 176.300 0.105 0.000 1.154 566 D CA 0.198 54.251 54.000 0.088 0.000 0.857 566 D CB 1.416 42.252 40.800 0.061 0.000 1.117 566 D HN 0.519 nan 8.370 nan 0.000 0.468 567 E N 0.545 120.825 120.200 0.133 0.000 2.378 567 E HA 0.353 4.703 4.350 -0.000 0.000 0.265 567 E C -1.041 175.627 176.600 0.114 0.000 0.932 567 E CA -1.025 55.463 56.400 0.147 0.000 0.795 567 E CB 1.458 31.293 29.700 0.226 0.000 1.296 567 E HN 0.036 nan 8.360 nan 0.000 0.438 568 D N 0.302 120.795 120.400 0.155 0.000 2.450 568 D HA -0.042 4.598 4.640 -0.000 0.000 0.247 568 D C -0.195 176.248 176.300 0.239 0.000 1.162 568 D CA 0.612 54.724 54.000 0.187 0.000 0.879 568 D CB 0.647 41.619 40.800 0.286 0.000 1.163 568 D HN 0.379 nan 8.370 nan 0.000 0.472 569 Q N 2.531 122.332 119.800 0.003 0.000 2.135 569 Q HA 0.223 4.563 4.340 -0.000 0.000 0.231 569 Q C 1.238 177.035 176.000 -0.338 0.000 0.817 569 Q CA 0.023 55.688 55.803 -0.230 0.000 1.073 569 Q CB 1.056 29.523 28.738 -0.451 0.000 1.176 569 Q HN 0.828 nan 8.270 nan 0.000 0.478 570 G N 0.757 109.259 108.800 -0.497 0.000 2.200 570 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.268 570 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.268 570 G C 0.115 174.773 174.900 -0.403 0.000 0.986 570 G CA 0.783 45.471 45.100 -0.687 0.000 0.677 570 G HN 0.285 nan 8.290 nan 0.000 0.532 571 V N 0.591 120.318 119.914 -0.312 0.000 2.577 571 V HA 0.658 4.778 4.120 -0.000 0.000 0.294 571 V C -0.185 175.681 176.094 -0.380 0.000 1.052 571 V CA -0.465 61.596 62.300 -0.399 0.000 0.891 571 V CB 1.158 32.715 31.823 -0.444 0.000 1.017 571 V HN 0.742 nan 8.190 nan 0.000 0.436 572 F N 3.837 123.532 119.950 -0.425 0.000 2.740 572 F HA 1.003 5.530 4.527 -0.000 0.000 0.357 572 F C -0.507 175.031 175.800 -0.437 0.000 1.141 572 F CA -1.420 56.326 58.000 -0.424 0.000 1.044 572 F CB 2.048 40.876 39.000 -0.287 0.000 1.430 572 F HN 0.490 nan 8.300 nan 0.000 0.518 573 M N 0.343 119.856 119.600 -0.146 0.000 2.603 573 M HA 0.604 5.084 4.480 -0.000 0.000 0.275 573 M C -1.649 174.624 176.300 -0.046 0.000 1.226 573 M CA -0.579 54.617 55.300 -0.173 0.000 0.870 573 M CB 2.044 34.585 32.600 -0.098 0.000 1.716 573 M HN 0.838 nan 8.290 nan 0.000 0.482 574 T N 2.200 116.850 114.554 0.161 0.000 2.893 574 T HA 0.801 5.151 4.350 -0.000 0.000 0.293 574 T C -1.017 173.841 174.700 0.264 0.000 1.027 574 T CA -0.816 61.462 62.100 0.297 0.000 0.988 574 T CB 1.525 70.573 68.868 0.299 0.000 1.043 574 T HN 0.875 nan 8.240 nan 0.000 0.461 575 M N 3.113 122.914 119.600 0.335 0.000 2.508 575 M HA 0.863 5.343 4.480 -0.000 0.000 0.327 575 M C -1.500 174.831 176.300 0.051 0.000 1.160 575 M CA -0.942 54.495 55.300 0.228 0.000 0.980 575 M CB 1.987 34.795 32.600 0.346 0.000 1.693 575 M HN 0.248 nan 8.290 nan 0.000 0.452 576 V N 2.151 122.066 119.914 0.002 0.000 2.555 576 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 576 V C -0.789 175.288 176.094 -0.029 0.000 1.038 576 V CA -0.342 61.913 62.300 -0.076 0.000 0.887 576 V CB 1.622 33.392 31.823 -0.090 0.000 0.991 576 V HN 0.943 nan 8.190 nan 0.000 0.434 577 Q N 4.100 123.864 119.800 -0.060 0.000 2.891 577 Q HA 0.411 4.751 4.340 -0.000 0.000 0.242 577 Q C -1.071 174.913 176.000 -0.025 0.000 0.959 577 Q CA -0.274 55.520 55.803 -0.015 0.000 0.707 577 Q CB 0.667 29.412 28.738 0.012 0.000 1.283 577 Q HN 0.601 nan 8.270 nan 0.000 0.480 578 L N 3.543 124.758 121.223 -0.014 0.000 2.472 578 L HA 0.263 4.603 4.340 -0.000 0.000 0.273 578 L C -1.398 175.476 176.870 0.007 0.000 1.254 578 L CA -0.705 54.129 54.840 -0.011 0.000 0.823 578 L CB -0.485 41.572 42.059 -0.002 0.000 1.096 578 L HN 0.561 nan 8.230 nan 0.000 0.521 579 P HA 0.016 nan 4.420 nan 0.000 0.310 579 P C -0.984 176.341 177.300 0.040 0.000 1.309 579 P CA -0.350 62.764 63.100 0.024 0.000 0.753 579 P CB 0.337 32.050 31.700 0.020 0.000 1.491 580 A N -1.385 121.468 122.820 0.054 0.000 2.276 580 A HA 0.542 4.862 4.320 -0.000 0.000 0.300 580 A C 1.071 178.702 177.584 0.079 0.000 1.235 580 A CA 0.229 52.311 52.037 0.075 0.000 0.867 580 A CB -0.760 18.299 19.000 0.099 0.000 1.137 580 A HN 0.817 nan 8.150 nan 0.000 0.527 581 G N 1.144 109.991 108.800 0.079 0.000 2.194 581 G HA2 0.149 4.109 3.960 -0.000 0.000 0.236 581 G HA3 0.149 4.109 3.960 -0.000 0.000 0.236 581 G C 0.704 175.638 174.900 0.057 0.000 0.987 581 G CA 0.208 45.356 45.100 0.081 0.000 0.635 581 G HN 2.186 nan 8.290 nan 0.000 0.520 582 A N 0.682 123.529 122.820 0.044 0.000 2.586 582 A HA 0.522 4.842 4.320 -0.000 0.000 0.231 582 A C 1.103 178.704 177.584 0.029 0.000 1.055 582 A CA 1.720 53.774 52.037 0.029 0.000 0.756 582 A CB 0.005 19.018 19.000 0.022 0.000 0.988 582 A HN 1.897 nan 8.150 nan 0.000 0.509 583 T N -0.252 114.313 114.554 0.019 0.000 2.944 583 T HA 0.374 4.724 4.350 -0.000 0.000 0.284 583 T C 0.967 175.674 174.700 0.012 0.000 1.010 583 T CA 0.015 62.125 62.100 0.016 0.000 1.025 583 T CB 1.300 70.172 68.868 0.008 0.000 1.079 583 T HN 0.729 nan 8.240 nan 0.000 0.516 584 Q N 0.085 119.893 119.800 0.013 0.000 2.217 584 Q HA -0.268 4.072 4.340 -0.000 0.000 0.209 584 Q C 1.967 177.970 176.000 0.005 0.000 0.988 584 Q CA 2.201 58.012 55.803 0.014 0.000 0.878 584 Q CB -0.083 28.665 28.738 0.017 0.000 0.909 584 Q HN 0.916 nan 8.270 nan 0.000 0.424 585 E N 0.029 120.227 120.200 -0.003 0.000 2.028 585 E HA -0.216 4.134 4.350 -0.000 0.000 0.190 585 E C 2.164 178.758 176.600 -0.010 0.000 0.984 585 E CA 0.671 57.065 56.400 -0.010 0.000 0.800 585 E CB -0.136 29.554 29.700 -0.016 0.000 0.758 585 E HN 0.278 nan 8.360 nan 0.000 0.448 586 R N 0.009 120.504 120.500 -0.008 0.000 2.096 586 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 586 R C 2.474 178.767 176.300 -0.011 0.000 1.139 586 R CA 2.173 58.267 56.100 -0.009 0.000 0.952 586 R CB -0.738 29.560 30.300 -0.005 0.000 0.854 586 R HN 0.214 nan 8.270 nan 0.000 0.436 587 T N -0.361 114.190 114.554 -0.005 0.000 2.777 587 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 587 T C 1.783 176.476 174.700 -0.012 0.000 1.040 587 T CA 1.666 63.761 62.100 -0.008 0.000 1.141 587 T CB -0.148 68.722 68.868 0.003 0.000 0.868 587 T HN 0.332 nan 8.240 nan 0.000 0.444 588 Q N 1.200 120.996 119.800 -0.007 0.000 2.181 588 Q HA -0.064 4.276 4.340 -0.000 0.000 0.205 588 Q C 2.136 178.128 176.000 -0.014 0.000 0.980 588 Q CA 1.891 57.689 55.803 -0.008 0.000 0.862 588 Q CB -0.405 28.330 28.738 -0.005 0.000 0.905 588 Q HN 0.634 nan 8.270 nan 0.000 0.429 589 K N -0.948 119.441 120.400 -0.018 0.000 2.026 589 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 589 K C 1.796 178.383 176.600 -0.023 0.000 1.048 589 K CA 1.538 57.810 56.287 -0.024 0.000 0.929 589 K CB -0.065 32.421 32.500 -0.025 0.000 0.713 589 K HN 0.169 nan 8.250 nan 0.000 0.439 590 V N 1.972 121.870 119.914 -0.026 0.000 2.295 590 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 590 V C 2.388 178.460 176.094 -0.036 0.000 1.049 590 V CA 1.646 63.925 62.300 -0.036 0.000 1.024 590 V CB -0.459 31.331 31.823 -0.055 0.000 0.648 590 V HN 0.330 nan 8.190 nan 0.000 0.447 591 L N 0.226 121.432 121.223 -0.029 0.000 2.079 591 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 591 L C 2.576 179.471 176.870 0.042 0.000 1.081 591 L CA 1.529 56.361 54.840 -0.013 0.000 0.752 591 L CB -0.767 41.285 42.059 -0.012 0.000 0.896 591 L HN 0.437 nan 8.230 nan 0.000 0.433 592 N N 0.154 118.876 118.700 0.036 0.000 2.025 592 N HA -0.207 4.533 4.740 -0.000 0.000 0.194 592 N C 1.694 177.271 175.510 0.113 0.000 1.044 592 N CA 1.542 54.631 53.050 0.064 0.000 0.851 592 N CB -0.290 38.166 38.487 -0.051 0.000 1.036 592 N HN 0.432 nan 8.380 nan 0.000 0.422 593 E N 0.620 120.850 120.200 0.049 0.000 2.065 593 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 593 E C 2.119 178.861 176.600 0.236 0.000 1.016 593 E CA 1.282 57.742 56.400 0.101 0.000 0.818 593 E CB -0.171 29.576 29.700 0.078 0.000 0.749 593 E HN 0.093 nan 8.360 nan 0.000 0.453 594 V N 1.269 121.297 119.914 0.191 0.000 2.252 594 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 594 V C 2.405 178.708 176.094 0.348 0.000 1.056 594 V CA 2.372 64.809 62.300 0.229 0.000 1.022 594 V CB -1.020 30.717 31.823 -0.143 0.000 0.641 594 V HN 0.351 nan 8.190 nan 0.000 0.445 595 T N -0.807 113.931 114.554 0.306 0.000 2.699 595 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 595 T C 1.746 176.588 174.700 0.237 0.000 1.036 595 T CA 2.294 64.574 62.100 0.299 0.000 1.147 595 T CB -0.389 68.603 68.868 0.208 0.000 0.862 595 T HN 0.635 nan 8.240 nan 0.000 0.446 596 H N -0.983 118.166 119.070 0.131 0.000 2.512 596 H HA 0.155 4.711 4.556 -0.000 0.000 0.279 596 H C 1.712 177.077 175.328 0.061 0.000 0.999 596 H CA 0.368 56.465 56.048 0.081 0.000 1.283 596 H CB -0.481 29.309 29.762 0.048 0.000 1.421 596 H HN 0.433 nan 8.280 nan 0.000 0.554 597 Y N 0.580 120.910 120.300 0.050 0.000 2.193 597 Y HA -0.357 4.193 4.550 -0.000 0.000 0.285 597 Y C 1.199 177.005 175.900 -0.156 0.000 1.166 597 Y CA 1.518 59.532 58.100 -0.142 0.000 1.181 597 Y CB -0.541 37.712 38.460 -0.346 0.000 0.976 597 Y HN 0.158 nan 8.280 nan 0.000 0.520 598 Y N -0.720 119.583 120.300 0.005 0.000 2.365 598 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 598 Y C 2.258 178.082 175.900 -0.128 0.000 1.119 598 Y CA 0.827 58.865 58.100 -0.103 0.000 1.203 598 Y CB -0.559 37.940 38.460 0.064 0.000 1.026 598 Y HN 0.094 nan 8.280 nan 0.000 0.549 599 L N -1.315 119.922 121.223 0.023 0.000 2.217 599 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 599 L C 2.285 179.117 176.870 -0.064 0.000 1.107 599 L CA 1.722 56.514 54.840 -0.081 0.000 0.783 599 L CB -0.277 41.629 42.059 -0.254 0.000 0.919 599 L HN 0.248 nan 8.230 nan 0.000 0.442 600 T N -1.268 113.255 114.554 -0.051 0.000 3.151 600 T HA 0.053 4.403 4.350 -0.000 0.000 0.239 600 T C 1.066 175.709 174.700 -0.096 0.000 0.979 600 T CA 0.057 62.130 62.100 -0.045 0.000 1.194 600 T CB 0.284 69.154 68.868 0.005 0.000 0.982 600 T HN 0.007 nan 8.240 nan 0.000 0.428 601 K N 1.749 122.039 120.400 -0.182 0.000 3.165 601 K HA 0.294 4.614 4.320 -0.000 0.000 0.259 601 K C -0.257 176.140 176.600 -0.338 0.000 1.282 601 K CA 0.154 56.296 56.287 -0.241 0.000 1.259 601 K CB 0.359 32.710 32.500 -0.249 0.000 1.546 601 K HN 0.257 nan 8.250 nan 0.000 0.384 602 E N -0.373 119.710 120.200 -0.195 0.000 2.286 602 E HA 0.008 4.358 4.350 -0.000 0.000 0.111 602 E C 0.127 176.697 176.600 -0.050 0.000 0.783 602 E CA 0.134 56.460 56.400 -0.124 0.000 1.384 602 E CB 0.017 29.646 29.700 -0.118 0.000 1.428 602 E HN 0.082 nan 8.360 nan 0.000 0.513 603 K N 0.130 120.496 120.400 -0.056 0.000 2.127 603 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 603 K C 0.910 177.494 176.600 -0.027 0.000 1.047 603 K CA 1.704 57.967 56.287 -0.039 0.000 0.927 603 K CB -0.175 32.302 32.500 -0.038 0.000 0.716 603 K HN 0.108 nan 8.250 nan 0.000 0.450 604 N N 0.227 118.913 118.700 -0.023 0.000 2.571 604 N HA -0.048 4.692 4.740 -0.000 0.000 0.189 604 N C 0.540 176.046 175.510 -0.006 0.000 1.154 604 N CA 0.764 53.807 53.050 -0.012 0.000 0.907 604 N CB 0.109 38.592 38.487 -0.007 0.000 0.977 604 N HN 0.338 nan 8.380 nan 0.000 0.449 605 N N -1.356 117.342 118.700 -0.004 0.000 3.046 605 N HA 0.130 4.870 4.740 -0.000 0.000 0.240 605 N C -0.582 174.920 175.510 -0.014 0.000 1.017 605 N CA -0.199 52.855 53.050 0.007 0.000 1.126 605 N CB 0.631 39.149 38.487 0.051 0.000 1.642 605 N HN -0.192 nan 8.380 nan 0.000 0.548 606 V N 2.392 122.305 119.914 -0.002 0.000 2.599 606 V HA -0.035 4.085 4.120 -0.000 0.000 0.300 606 V C 1.077 177.130 176.094 -0.068 0.000 1.034 606 V CA 0.972 63.241 62.300 -0.051 0.000 1.115 606 V CB 1.192 33.006 31.823 -0.016 0.000 0.934 606 V HN 0.418 nan 8.190 nan 0.000 0.485 607 E N 2.901 123.045 120.200 -0.093 0.000 2.413 607 E HA 0.146 4.496 4.350 -0.000 0.000 0.203 607 E C 0.353 176.914 176.600 -0.064 0.000 0.957 607 E CA 0.719 57.079 56.400 -0.067 0.000 0.950 607 E CB 0.625 30.288 29.700 -0.061 0.000 0.957 607 E HN 0.912 nan 8.360 nan 0.000 0.497 608 S N -1.817 113.829 115.700 -0.090 0.000 2.622 608 S HA 0.575 5.045 4.470 -0.000 0.000 0.275 608 S C -1.050 173.489 174.600 -0.102 0.000 1.112 608 S CA -0.744 57.389 58.200 -0.112 0.000 0.837 608 S CB 1.143 64.391 63.200 0.081 0.000 1.082 608 S HN -0.020 nan 8.310 nan 0.000 0.456 609 V N 1.030 120.861 119.914 -0.139 0.000 3.102 609 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 609 V C -1.471 174.735 176.094 0.186 0.000 1.135 609 V CA -0.744 61.541 62.300 -0.025 0.000 1.022 609 V CB 1.951 33.739 31.823 -0.060 0.000 1.056 609 V HN 1.006 nan 8.190 nan 0.000 0.436 610 F N 1.990 121.969 119.950 0.048 0.000 2.971 610 F HA 0.721 5.248 4.527 -0.000 0.000 0.373 610 F C 0.291 176.060 175.800 -0.052 0.000 1.288 610 F CA -0.467 57.586 58.000 0.088 0.000 1.204 610 F CB 0.441 39.530 39.000 0.148 0.000 1.852 610 F HN 0.618 nan 8.300 nan 0.000 0.624 611 A N 2.622 125.330 122.820 -0.187 0.000 2.425 611 A HA 0.657 4.977 4.320 -0.000 0.000 0.249 611 A C -0.868 176.559 177.584 -0.261 0.000 1.084 611 A CA -0.188 51.748 52.037 -0.168 0.000 0.781 611 A CB 0.523 19.474 19.000 -0.081 0.000 1.019 611 A HN 0.429 nan 8.150 nan 0.000 0.490 612 V N 3.592 123.412 119.914 -0.157 0.000 2.482 612 V HA 0.268 4.388 4.120 -0.000 0.000 0.295 612 V C -0.051 176.044 176.094 0.003 0.000 1.026 612 V CA -0.725 61.545 62.300 -0.050 0.000 0.856 612 V CB 1.444 33.317 31.823 0.082 0.000 1.001 612 V HN 1.005 nan 8.190 nan 0.000 0.424 613 N N 2.992 121.705 118.700 0.021 0.000 2.438 613 N HA 0.530 5.270 4.740 -0.000 0.000 0.282 613 N C 1.038 176.588 175.510 0.067 0.000 1.037 613 N CA 0.665 53.735 53.050 0.033 0.000 0.942 613 N CB 1.262 39.758 38.487 0.016 0.000 1.136 613 N HN 1.046 nan 8.380 nan 0.000 0.481 614 G N 3.198 112.043 108.800 0.076 0.000 2.195 614 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 614 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 614 G C -0.105 174.877 174.900 0.138 0.000 0.984 614 G CA -0.237 44.911 45.100 0.081 0.000 0.633 614 G HN 0.608 nan 8.290 nan 0.000 0.525 615 F N 2.168 122.090 119.950 -0.046 0.000 2.310 615 F HA 0.568 5.095 4.527 -0.000 0.000 0.365 615 F C 0.781 176.551 175.800 -0.051 0.000 1.080 615 F CA -0.538 57.413 58.000 -0.082 0.000 1.187 615 F CB 0.298 39.206 39.000 -0.154 0.000 1.465 615 F HN 0.209 nan 8.300 nan 0.000 0.496 616 G N 2.148 111.134 108.800 0.310 0.000 2.511 616 G HA2 0.180 4.140 3.960 -0.000 0.000 0.316 616 G HA3 0.180 4.140 3.960 -0.000 0.000 0.316 616 G C -0.324 174.691 174.900 0.192 0.000 1.210 616 G CA -0.379 44.826 45.100 0.175 0.000 0.969 616 G HN 0.602 nan 8.290 nan 0.000 0.492 617 F N 0.468 120.514 119.950 0.160 0.000 2.446 617 F HA 0.189 4.716 4.527 -0.000 0.000 0.292 617 F C 2.753 178.637 175.800 0.141 0.000 1.096 617 F CA 0.966 59.066 58.000 0.167 0.000 1.438 617 F CB 0.018 39.105 39.000 0.145 0.000 1.107 617 F HN 0.421 nan 8.300 nan 0.000 0.546 618 A N -0.277 122.729 122.820 0.311 0.000 1.902 618 A HA 0.308 4.628 4.320 -0.000 0.000 0.217 618 A C 1.593 179.283 177.584 0.177 0.000 1.181 618 A CA 1.861 54.019 52.037 0.201 0.000 0.623 618 A CB -1.054 18.033 19.000 0.145 0.000 0.818 618 A HN 0.462 nan 8.150 nan 0.000 0.443 619 G N -2.193 106.712 108.800 0.175 0.000 2.435 619 G HA2 0.462 4.421 3.960 -0.000 0.000 0.228 619 G HA3 0.462 4.421 3.960 -0.000 0.000 0.228 619 G C -1.015 173.960 174.900 0.126 0.000 1.198 619 G CA -0.711 44.469 45.100 0.134 0.000 0.948 619 G HN 0.345 nan 8.290 nan 0.000 0.487 620 R N -0.650 119.894 120.500 0.073 0.000 2.782 620 R HA 0.748 5.088 4.340 -0.000 0.000 0.258 620 R C 0.002 176.334 176.300 0.053 0.000 1.055 620 R CA 0.092 56.221 56.100 0.049 0.000 1.065 620 R CB 1.647 31.942 30.300 -0.007 0.000 1.172 620 R HN 1.742 nan 8.270 nan 0.000 0.510 621 G N 0.035 108.863 108.800 0.047 0.000 2.316 621 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.468 621 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.468 621 G C -0.290 174.640 174.900 0.050 0.000 1.523 621 G CA -0.828 44.300 45.100 0.047 0.000 0.972 621 G HN 0.562 nan 8.290 nan 0.000 0.667 622 Q N -0.150 119.676 119.800 0.044 0.000 2.436 622 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 622 Q C 2.055 178.078 176.000 0.038 0.000 0.965 622 Q CA 0.920 56.747 55.803 0.039 0.000 0.910 622 Q CB 0.053 28.812 28.738 0.035 0.000 0.980 622 Q HN 0.542 nan 8.270 nan 0.000 0.491 623 N N 0.683 119.409 118.700 0.044 0.000 2.207 623 N HA -0.071 4.669 4.740 -0.000 0.000 0.182 623 N C 1.344 176.878 175.510 0.039 0.000 1.020 623 N CA 1.377 54.451 53.050 0.040 0.000 0.858 623 N CB -0.161 38.355 38.487 0.048 0.000 0.991 623 N HN 0.317 nan 8.380 nan 0.000 0.427 624 T N -1.732 112.855 114.554 0.056 0.000 2.771 624 T HA 0.619 4.969 4.350 -0.000 0.000 0.290 624 T C 0.524 175.257 174.700 0.055 0.000 1.005 624 T CA -0.388 61.751 62.100 0.065 0.000 0.944 624 T CB 1.479 70.408 68.868 0.102 0.000 1.147 624 T HN 0.240 nan 8.240 nan 0.000 0.534 625 G N -0.039 108.794 108.800 0.056 0.000 1.932 625 G HA2 0.412 4.372 3.960 -0.000 0.000 0.260 625 G HA3 0.412 4.372 3.960 -0.000 0.000 0.260 625 G C -1.468 173.435 174.900 0.006 0.000 1.708 625 G CA -0.751 44.366 45.100 0.028 0.000 0.912 625 G HN 0.824 nan 8.290 nan 0.000 0.710 626 I N 1.463 122.001 120.570 -0.055 0.000 2.924 626 I HA 0.933 5.103 4.170 -0.000 0.000 0.316 626 I C 0.205 176.242 176.117 -0.134 0.000 1.014 626 I CA -1.072 60.184 61.300 -0.073 0.000 1.106 626 I CB 2.075 39.955 38.000 -0.200 0.000 1.311 626 I HN 1.242 nan 8.210 nan 0.000 0.502 627 A N 5.135 127.913 122.820 -0.070 0.000 2.476 627 A HA 0.584 4.904 4.320 -0.000 0.000 0.280 627 A C -1.551 176.078 177.584 0.075 0.000 1.081 627 A CA -0.420 51.587 52.037 -0.052 0.000 0.753 627 A CB 0.044 19.061 19.000 0.029 0.000 1.248 627 A HN 0.360 nan 8.150 nan 0.000 0.424 628 F N 2.069 122.092 119.950 0.121 0.000 2.438 628 F HA 0.464 4.991 4.527 -0.000 0.000 0.356 628 F C 0.617 176.328 175.800 -0.149 0.000 1.099 628 F CA -0.700 57.322 58.000 0.038 0.000 1.185 628 F CB 1.043 40.175 39.000 0.220 0.000 1.115 628 F HN 0.298 nan 8.300 nan 0.000 0.526 629 V N 1.699 121.446 119.914 -0.279 0.000 2.966 629 V HA 0.677 4.797 4.120 -0.000 0.000 0.317 629 V C -0.174 175.623 176.094 -0.495 0.000 1.070 629 V CA -0.802 61.134 62.300 -0.607 0.000 1.008 629 V CB 1.988 32.910 31.823 -1.502 0.000 1.070 629 V HN 0.727 nan 8.190 nan 0.000 0.457 630 S N 1.979 117.430 115.700 -0.415 0.000 2.536 630 S HA 0.510 4.980 4.470 -0.000 0.000 0.246 630 S C -1.034 173.420 174.600 -0.244 0.000 1.077 630 S CA -0.575 57.458 58.200 -0.279 0.000 1.091 630 S CB 0.104 63.238 63.200 -0.110 0.000 1.148 630 S HN 0.542 nan 8.310 nan 0.000 0.447 631 L N 3.170 124.234 121.223 -0.264 0.000 2.436 631 L HA 0.509 4.849 4.340 -0.000 0.000 0.265 631 L C 0.910 177.657 176.870 -0.204 0.000 1.168 631 L CA -0.888 53.839 54.840 -0.187 0.000 0.815 631 L CB 0.395 42.375 42.059 -0.133 0.000 1.109 631 L HN 0.409 nan 8.230 nan 0.000 0.462 632 K N 2.237 122.552 120.400 -0.143 0.000 2.380 632 K HA -0.011 4.309 4.320 -0.000 0.000 0.267 632 K C -0.379 176.102 176.600 -0.199 0.000 0.990 632 K CA -0.137 56.073 56.287 -0.128 0.000 0.946 632 K CB 0.387 32.848 32.500 -0.065 0.000 0.937 632 K HN 0.703 nan 8.250 nan 0.000 0.491 633 D N 2.635 122.929 120.400 -0.176 0.000 2.730 633 D HA -0.190 4.450 4.640 -0.000 0.000 0.225 633 D C 0.793 177.027 176.300 -0.109 0.000 1.107 633 D CA 0.197 54.069 54.000 -0.213 0.000 0.837 633 D CB 0.227 41.035 40.800 0.014 0.000 1.171 633 D HN 0.493 nan 8.370 nan 0.000 0.498 634 W N 2.565 123.894 121.300 0.049 0.000 2.255 634 W HA -0.300 4.360 4.660 -0.000 0.000 0.318 634 W C 2.636 179.183 176.519 0.045 0.000 1.277 634 W CA 1.653 59.030 57.345 0.053 0.000 1.286 634 W CB -1.454 28.050 29.460 0.074 0.000 1.132 634 W HN 0.640 nan 8.180 nan 0.000 0.504 635 A N 1.315 124.315 122.820 0.301 0.000 1.849 635 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 635 A C 1.562 179.214 177.584 0.113 0.000 1.202 635 A CA 2.372 54.516 52.037 0.178 0.000 0.629 635 A CB -1.349 17.739 19.000 0.147 0.000 0.834 635 A HN 0.296 nan 8.150 nan 0.000 0.447 636 D N -0.417 120.030 120.400 0.079 0.000 2.417 636 D HA -0.055 4.585 4.640 -0.000 0.000 0.225 636 D C 0.531 176.858 176.300 0.044 0.000 0.983 636 D CA 0.717 54.744 54.000 0.046 0.000 0.949 636 D CB -0.173 40.640 40.800 0.022 0.000 0.879 636 D HN 0.395 nan 8.370 nan 0.000 0.520 637 R N 0.555 121.095 120.500 0.068 0.000 2.505 637 R HA 0.174 4.514 4.340 -0.000 0.000 0.284 637 R C -1.740 174.610 176.300 0.083 0.000 1.324 637 R CA -1.103 55.037 56.100 0.065 0.000 1.432 637 R CB 1.487 31.826 30.300 0.065 0.000 1.107 637 R HN 0.122 nan 8.270 nan 0.000 0.587 638 P HA -0.073 nan 4.420 nan 0.000 0.206 638 P C 0.709 178.041 177.300 0.053 0.000 1.212 638 P CA 0.557 63.693 63.100 0.059 0.000 0.919 638 P CB -0.033 31.694 31.700 0.045 0.000 0.755 639 G N 0.982 109.806 108.800 0.040 0.000 2.469 639 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.229 639 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.229 639 G C 0.889 175.812 174.900 0.038 0.000 1.222 639 G CA -0.031 45.089 45.100 0.033 0.000 0.861 639 G HN 0.378 nan 8.290 nan 0.000 0.538 640 E N 0.900 121.120 120.200 0.032 0.000 2.515 640 E HA -0.102 4.248 4.350 -0.000 0.000 0.201 640 E C 1.281 177.898 176.600 0.028 0.000 1.071 640 E CA 0.684 57.104 56.400 0.034 0.000 0.880 640 E CB 0.170 29.885 29.700 0.024 0.000 0.828 640 E HN 0.612 nan 8.360 nan 0.000 0.540 641 E N 0.075 120.289 120.200 0.024 0.000 2.318 641 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 641 E C 0.918 177.531 176.600 0.023 0.000 0.998 641 E CA 0.310 56.720 56.400 0.018 0.000 0.859 641 E CB -0.287 29.422 29.700 0.014 0.000 0.812 641 E HN 0.217 nan 8.360 nan 0.000 0.492 642 N N 1.124 119.843 118.700 0.032 0.000 2.434 642 N HA -0.013 4.727 4.740 -0.000 0.000 0.196 642 N C 0.140 175.679 175.510 0.049 0.000 1.183 642 N CA 0.294 53.367 53.050 0.039 0.000 0.849 642 N CB 0.217 38.728 38.487 0.041 0.000 0.992 642 N HN 0.038 nan 8.380 nan 0.000 0.460 643 K N 0.102 120.530 120.400 0.047 0.000 2.138 643 K HA 0.231 4.551 4.320 -0.000 0.000 0.263 643 K C 1.068 177.677 176.600 0.015 0.000 0.965 643 K CA -0.432 55.891 56.287 0.060 0.000 0.868 643 K CB 1.230 33.776 32.500 0.077 0.000 1.083 643 K HN -0.275 nan 8.250 nan 0.000 0.443 644 V N 3.095 123.016 119.914 0.012 0.000 2.265 644 V HA -0.386 3.734 4.120 -0.000 0.000 0.259 644 V C 2.130 178.148 176.094 -0.127 0.000 1.084 644 V CA 2.120 64.374 62.300 -0.078 0.000 1.076 644 V CB -0.523 31.283 31.823 -0.027 0.000 0.680 644 V HN 0.884 nan 8.190 nan 0.000 0.452 645 E N -0.234 119.937 120.200 -0.049 0.000 2.045 645 E HA -0.311 4.039 4.350 -0.000 0.000 0.212 645 E C 2.335 178.903 176.600 -0.054 0.000 1.039 645 E CA 2.047 58.422 56.400 -0.042 0.000 0.860 645 E CB -0.777 28.919 29.700 -0.006 0.000 0.776 645 E HN 0.618 nan 8.360 nan 0.000 0.467 646 A N 1.233 124.034 122.820 -0.031 0.000 1.851 646 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 646 A C 2.467 180.030 177.584 -0.036 0.000 1.195 646 A CA 1.836 53.860 52.037 -0.023 0.000 0.622 646 A CB -0.982 18.016 19.000 -0.003 0.000 0.831 646 A HN 0.268 nan 8.150 nan 0.000 0.444 647 I N 0.363 120.905 120.570 -0.046 0.000 2.091 647 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 647 I C 2.838 178.889 176.117 -0.110 0.000 1.046 647 I CA 2.279 63.553 61.300 -0.044 0.000 1.306 647 I CB -0.990 36.978 38.000 -0.052 0.000 1.018 647 I HN 0.590 nan 8.210 nan 0.000 0.404 648 T N -1.576 112.794 114.554 -0.307 0.000 2.929 648 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 648 T C 1.793 176.449 174.700 -0.075 0.000 1.085 648 T CA 0.807 62.718 62.100 -0.315 0.000 1.125 648 T CB -0.110 68.520 68.868 -0.397 0.000 0.874 648 T HN 0.096 nan 8.240 nan 0.000 0.494 649 M N 2.423 121.990 119.600 -0.054 0.000 2.074 649 M HA 0.038 4.518 4.480 -0.000 0.000 0.259 649 M C 2.753 179.045 176.300 -0.014 0.000 1.079 649 M CA 2.013 57.302 55.300 -0.018 0.000 1.119 649 M CB -0.990 31.599 32.600 -0.019 0.000 1.297 649 M HN 0.488 nan 8.290 nan 0.000 0.416 650 R N 0.542 121.037 120.500 -0.009 0.000 2.139 650 R HA -0.091 4.249 4.340 -0.000 0.000 0.243 650 R C 2.035 178.271 176.300 -0.106 0.000 1.145 650 R CA 1.772 57.860 56.100 -0.020 0.000 0.976 650 R CB -1.066 29.256 30.300 0.037 0.000 0.866 650 R HN 0.295 nan 8.270 nan 0.000 0.449 651 A N 1.852 124.644 122.820 -0.046 0.000 1.851 651 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 651 A C 2.526 179.874 177.584 -0.395 0.000 1.195 651 A CA 2.423 54.307 52.037 -0.254 0.000 0.622 651 A CB -1.478 17.682 19.000 0.266 0.000 0.831 651 A HN 0.664 nan 8.150 nan 0.000 0.444 652 T N -1.809 112.765 114.554 0.033 0.000 2.737 652 T HA -0.253 4.097 4.350 -0.000 0.000 0.269 652 T C 1.964 176.699 174.700 0.059 0.000 1.040 652 T CA 1.686 63.910 62.100 0.206 0.000 1.142 652 T CB -0.379 68.628 68.868 0.232 0.000 0.861 652 T HN 0.537 nan 8.240 nan 0.000 0.456 653 R N 1.304 121.764 120.500 -0.067 0.000 2.066 653 R HA 0.109 4.449 4.340 -0.000 0.000 0.232 653 R C 2.836 179.025 176.300 -0.184 0.000 1.131 653 R CA 1.240 57.291 56.100 -0.081 0.000 0.955 653 R CB -0.824 29.432 30.300 -0.073 0.000 0.851 653 R HN 0.466 nan 8.270 nan 0.000 0.432 654 A N 0.797 123.371 122.820 -0.410 0.000 1.873 654 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 654 A C 1.963 179.284 177.584 -0.439 0.000 1.193 654 A CA 1.704 53.407 52.037 -0.556 0.000 0.629 654 A CB -0.920 17.410 19.000 -1.116 0.000 0.826 654 A HN 0.382 nan 8.150 nan 0.000 0.447 655 F N 1.364 121.138 119.950 -0.294 0.000 2.095 655 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 655 F C 2.997 178.715 175.800 -0.136 0.000 1.104 655 F CA 1.485 59.360 58.000 -0.207 0.000 1.232 655 F CB -1.152 37.740 39.000 -0.179 0.000 0.987 655 F HN 0.361 nan 8.300 nan 0.000 0.475 656 S N -0.490 115.256 115.700 0.078 0.000 2.440 656 S HA -0.238 4.232 4.470 -0.000 0.000 0.238 656 S C 1.720 176.324 174.600 0.006 0.000 1.010 656 S CA 1.369 59.593 58.200 0.041 0.000 0.972 656 S CB -0.605 62.636 63.200 0.068 0.000 0.774 656 S HN 0.583 nan 8.310 nan 0.000 0.501 657 Q N 0.807 120.593 119.800 -0.024 0.000 2.178 657 Q HA 0.291 4.631 4.340 -0.000 0.000 0.195 657 Q C 1.794 177.780 176.000 -0.024 0.000 0.960 657 Q CA 1.090 56.875 55.803 -0.030 0.000 0.843 657 Q CB -0.151 28.557 28.738 -0.051 0.000 0.927 657 Q HN 0.862 nan 8.270 nan 0.000 0.487 658 I N -1.264 119.288 120.570 -0.030 0.000 3.837 658 I HA 0.364 4.534 4.170 -0.000 0.000 0.332 658 I C -0.692 175.428 176.117 0.005 0.000 1.484 658 I CA -0.370 60.921 61.300 -0.015 0.000 1.223 658 I CB 0.116 38.103 38.000 -0.022 0.000 1.257 658 I HN -0.222 nan 8.210 nan 0.000 0.421 659 K N 1.381 121.784 120.400 0.004 0.000 2.444 659 K HA 0.354 4.674 4.320 -0.000 0.000 0.252 659 K C 0.000 176.590 176.600 -0.017 0.000 0.993 659 K CA -0.505 55.780 56.287 -0.003 0.000 0.847 659 K CB 1.524 34.022 32.500 -0.004 0.000 1.340 659 K HN 0.240 nan 8.250 nan 0.000 0.446 660 D N -0.483 119.903 120.400 -0.024 0.000 2.479 660 D HA 0.288 4.928 4.640 -0.000 0.000 0.218 660 D C -0.051 176.231 176.300 -0.031 0.000 1.177 660 D CA -0.220 53.767 54.000 -0.022 0.000 0.830 660 D CB 0.644 41.433 40.800 -0.017 0.000 1.014 660 D HN 0.329 nan 8.370 nan 0.000 0.503 661 A N 0.210 123.000 122.820 -0.050 0.000 2.681 661 A HA 0.751 5.071 4.320 -0.000 0.000 0.278 661 A C -1.040 176.470 177.584 -0.122 0.000 1.272 661 A CA -0.807 51.188 52.037 -0.069 0.000 0.750 661 A CB 1.131 20.090 19.000 -0.069 0.000 1.351 661 A HN 0.082 nan 8.150 nan 0.000 0.514 662 M N 1.529 121.024 119.600 -0.176 0.000 2.072 662 M HA 0.500 4.980 4.480 -0.000 0.000 0.331 662 M C -1.481 174.496 176.300 -0.539 0.000 1.004 662 M CA -0.368 54.716 55.300 -0.361 0.000 0.952 662 M CB 1.354 33.797 32.600 -0.261 0.000 1.511 662 M HN 0.312 nan 8.290 nan 0.000 0.422 663 V N 4.148 123.649 119.914 -0.688 0.000 2.656 663 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 663 V C -0.842 174.879 176.094 -0.622 0.000 1.051 663 V CA -0.486 61.467 62.300 -0.579 0.000 0.893 663 V CB 1.952 33.500 31.823 -0.458 0.000 0.999 663 V HN 0.699 nan 8.190 nan 0.000 0.426 664 F N 1.145 121.153 119.950 0.096 0.000 3.233 664 F HA 0.991 5.518 4.527 -0.000 0.000 0.324 664 F C 0.366 176.358 175.800 0.321 0.000 1.443 664 F CA -0.469 57.657 58.000 0.209 0.000 1.043 664 F CB 0.840 39.943 39.000 0.172 0.000 1.662 664 F HN 0.673 nan 8.300 nan 0.000 0.447 665 A N 0.129 123.344 122.820 0.658 0.000 2.586 665 A HA 0.631 4.951 4.320 -0.000 0.000 0.298 665 A C -2.304 175.599 177.584 0.532 0.000 1.013 665 A CA -0.658 51.694 52.037 0.524 0.000 0.707 665 A CB 0.456 19.690 19.000 0.389 0.000 1.276 665 A HN 1.029 nan 8.150 nan 0.000 0.414 666 F N 0.432 120.468 119.950 0.143 0.000 2.635 666 F HA 0.591 5.118 4.527 -0.000 0.000 0.314 666 F C -0.425 175.407 175.800 0.053 0.000 1.119 666 F CA -1.520 56.512 58.000 0.053 0.000 1.000 666 F CB 0.761 39.778 39.000 0.028 0.000 1.278 666 F HN 0.571 nan 8.300 nan 0.000 0.446 667 N N 3.807 122.550 118.700 0.072 0.000 2.468 667 N HA 0.112 4.852 4.740 -0.000 0.000 0.265 667 N C -0.426 175.113 175.510 0.047 0.000 1.199 667 N CA -0.299 52.758 53.050 0.012 0.000 0.928 667 N CB 1.352 39.847 38.487 0.013 0.000 1.059 667 N HN 0.928 nan 8.380 nan 0.000 0.467 668 L N 2.745 123.954 121.223 -0.024 0.000 2.791 668 L HA 0.027 4.367 4.340 -0.000 0.000 0.276 668 L C -1.394 175.498 176.870 0.038 0.000 1.136 668 L CA -1.097 53.747 54.840 0.007 0.000 1.008 668 L CB -0.556 41.470 42.059 -0.055 0.000 1.348 668 L HN 0.346 nan 8.230 nan 0.000 0.476 669 P HA -0.072 nan 4.420 nan 0.000 0.250 669 P C 0.805 178.112 177.300 0.012 0.000 1.198 669 P CA 0.113 63.239 63.100 0.044 0.000 1.118 669 P CB 0.816 32.539 31.700 0.039 0.000 1.208 670 A N 5.662 128.492 122.820 0.016 0.000 2.054 670 A HA -0.238 4.082 4.320 -0.000 0.000 0.223 670 A C 1.764 179.206 177.584 -0.238 0.000 1.169 670 A CA 1.618 53.635 52.037 -0.035 0.000 0.655 670 A CB -1.186 17.887 19.000 0.121 0.000 0.812 670 A HN 0.646 nan 8.150 nan 0.000 0.462 671 I N -2.785 117.728 120.570 -0.094 0.000 2.528 671 I HA 0.114 4.284 4.170 -0.000 0.000 0.129 671 I C 0.506 176.576 176.117 -0.078 0.000 1.009 671 I CA 0.629 61.915 61.300 -0.023 0.000 1.319 671 I CB -0.943 37.180 38.000 0.206 0.000 1.133 671 I HN 0.027 nan 8.210 nan 0.000 0.441 672 V N -0.094 119.805 119.914 -0.024 0.000 3.049 672 V HA 0.145 4.265 4.120 -0.000 0.000 0.309 672 V C 0.671 176.735 176.094 -0.050 0.000 1.148 672 V CA -0.395 61.876 62.300 -0.049 0.000 0.990 672 V CB 1.639 33.425 31.823 -0.061 0.000 1.039 672 V HN 0.615 nan 8.190 nan 0.000 0.430 673 E N 2.210 122.388 120.200 -0.037 0.000 2.108 673 E HA -0.199 4.151 4.350 -0.000 0.000 0.203 673 E C 0.562 177.130 176.600 -0.054 0.000 1.022 673 E CA 2.057 58.432 56.400 -0.043 0.000 0.823 673 E CB -0.183 29.501 29.700 -0.027 0.000 0.744 673 E HN 0.569 nan 8.360 nan 0.000 0.456 674 L N -3.131 118.061 121.223 -0.052 0.000 2.400 674 L HA 0.707 5.047 4.340 -0.000 0.000 0.264 674 L C 0.706 177.498 176.870 -0.129 0.000 1.061 674 L CA -0.440 54.362 54.840 -0.063 0.000 0.799 674 L CB 0.516 42.560 42.059 -0.024 0.000 1.240 674 L HN 0.138 nan 8.230 nan 0.000 0.461 675 G N -0.314 108.402 108.800 -0.139 0.000 2.587 675 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.245 675 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.245 675 G C 0.313 175.080 174.900 -0.221 0.000 0.959 675 G CA 0.318 45.277 45.100 -0.235 0.000 1.268 675 G HN 1.499 nan 8.290 nan 0.000 0.448 676 T N -1.197 113.281 114.554 -0.127 0.000 3.016 676 T HA 0.760 5.110 4.350 -0.000 0.000 0.271 676 T C 1.317 175.993 174.700 -0.041 0.000 0.968 676 T CA 1.477 63.537 62.100 -0.067 0.000 0.891 676 T CB 0.402 69.234 68.868 -0.060 0.000 1.149 676 T HN 2.679 nan 8.240 nan 0.000 0.524 677 A N 1.885 124.672 122.820 -0.055 0.000 5.100 677 A HA 0.158 4.478 4.320 -0.000 0.000 0.533 677 A C 1.215 178.779 177.584 -0.033 0.000 1.142 677 A CA 1.189 53.205 52.037 -0.035 0.000 0.463 677 A CB -2.326 16.670 19.000 -0.005 0.000 3.021 677 A HN 2.252 nan 8.150 nan 0.000 0.487 678 T N -3.740 110.798 114.554 -0.027 0.000 4.107 678 T HA 0.201 4.551 4.350 -0.000 0.000 0.332 678 T C 1.559 176.235 174.700 -0.039 0.000 0.795 678 T CA 2.438 64.522 62.100 -0.028 0.000 1.900 678 T CB -2.273 66.574 68.868 -0.036 0.000 1.940 678 T HN 2.960 nan 8.240 nan 0.000 0.832 679 G N 0.152 108.933 108.800 -0.032 0.000 2.690 679 G HA2 0.741 4.701 3.960 -0.000 0.000 0.291 679 G HA3 0.741 4.701 3.960 -0.000 0.000 0.291 679 G C -1.035 173.885 174.900 0.033 0.000 1.403 679 G CA -0.720 44.328 45.100 -0.087 0.000 0.864 679 G HN 1.023 nan 8.290 nan 0.000 0.480 680 F N -0.876 119.097 119.950 0.039 0.000 2.643 680 F HA 0.799 5.326 4.527 -0.000 0.000 0.314 680 F C -1.443 174.483 175.800 0.209 0.000 1.096 680 F CA -1.809 56.285 58.000 0.157 0.000 0.953 680 F CB 2.482 41.654 39.000 0.286 0.000 1.345 680 F HN 0.358 nan 8.300 nan 0.000 0.468 681 D N 2.160 122.964 120.400 0.673 0.000 2.441 681 D HA 0.184 4.824 4.640 -0.000 0.000 0.287 681 D C -1.397 175.124 176.300 0.368 0.000 1.198 681 D CA -0.167 54.065 54.000 0.387 0.000 0.894 681 D CB 0.346 41.249 40.800 0.171 0.000 1.070 681 D HN 0.441 nan 8.370 nan 0.000 0.499 682 F N 1.881 121.914 119.950 0.139 0.000 2.518 682 F HA 0.297 4.824 4.527 -0.000 0.000 0.359 682 F C 0.293 175.823 175.800 -0.450 0.000 1.118 682 F CA -0.033 57.628 58.000 -0.565 0.000 1.287 682 F CB 0.999 39.683 39.000 -0.527 0.000 1.132 682 F HN 0.133 nan 8.300 nan 0.000 0.587 683 E N 4.459 123.874 120.200 -1.307 0.000 2.218 683 E HA 0.372 4.722 4.350 -0.000 0.000 0.263 683 E C -1.924 174.090 176.600 -0.976 0.000 0.879 683 E CA -0.697 55.132 56.400 -0.952 0.000 0.762 683 E CB 1.221 30.308 29.700 -1.022 0.000 1.166 683 E HN 0.549 nan 8.360 nan 0.000 0.415 684 L N 6.490 127.390 121.223 -0.539 0.000 2.287 684 L HA 0.496 4.836 4.340 -0.000 0.000 0.280 684 L C -1.066 175.696 176.870 -0.179 0.000 1.055 684 L CA -0.071 54.584 54.840 -0.308 0.000 0.863 684 L CB 0.078 42.069 42.059 -0.112 0.000 1.245 684 L HN 0.620 nan 8.230 nan 0.000 0.432 685 I N 2.615 123.088 120.570 -0.160 0.000 2.612 685 I HA 0.175 4.345 4.170 -0.000 0.000 0.295 685 I C -0.001 176.096 176.117 -0.034 0.000 1.011 685 I CA -0.429 60.832 61.300 -0.064 0.000 1.326 685 I CB 1.164 39.145 38.000 -0.032 0.000 1.427 685 I HN 0.519 nan 8.210 nan 0.000 0.537 686 D N 3.225 123.621 120.400 -0.006 0.000 2.557 686 D HA 0.132 4.772 4.640 -0.000 0.000 0.236 686 D C 0.777 177.075 176.300 -0.003 0.000 1.154 686 D CA -0.301 53.700 54.000 0.001 0.000 0.985 686 D CB 0.746 41.557 40.800 0.018 0.000 1.010 686 D HN 0.353 nan 8.370 nan 0.000 0.516 687 Q N 2.163 121.954 119.800 -0.016 0.000 2.014 687 Q HA -0.012 4.328 4.340 -0.000 0.000 0.207 687 Q C 0.692 176.686 176.000 -0.011 0.000 0.993 687 Q CA 1.583 57.374 55.803 -0.019 0.000 0.850 687 Q CB -0.265 28.453 28.738 -0.033 0.000 0.916 687 Q HN 0.613 nan 8.270 nan 0.000 0.417 688 A N -1.183 121.632 122.820 -0.008 0.000 2.251 688 A HA 0.468 4.788 4.320 -0.000 0.000 0.278 688 A C 1.177 178.763 177.584 0.002 0.000 1.206 688 A CA 0.126 52.161 52.037 -0.003 0.000 0.822 688 A CB -0.315 18.684 19.000 -0.002 0.000 1.187 688 A HN 0.463 nan 8.150 nan 0.000 0.504 689 G N -0.717 108.085 108.800 0.004 0.000 3.155 689 G HA2 0.336 4.296 3.960 -0.000 0.000 0.213 689 G HA3 0.336 4.296 3.960 -0.000 0.000 0.213 689 G C 0.445 175.353 174.900 0.013 0.000 1.196 689 G CA -0.319 44.786 45.100 0.008 0.000 0.846 689 G HN 0.498 nan 8.290 nan 0.000 0.516 690 L N 0.228 121.458 121.223 0.011 0.000 2.517 690 L HA 0.226 4.566 4.340 -0.000 0.000 0.294 690 L C 1.411 178.296 176.870 0.024 0.000 1.264 690 L CA 0.044 54.892 54.840 0.013 0.000 0.839 690 L CB 0.057 42.120 42.059 0.008 0.000 1.098 690 L HN 0.176 nan 8.230 nan 0.000 0.525 691 G N -1.441 107.375 108.800 0.026 0.000 2.502 691 G HA2 0.201 4.161 3.960 -0.000 0.000 0.305 691 G HA3 0.201 4.161 3.960 -0.000 0.000 0.305 691 G C 0.513 175.453 174.900 0.068 0.000 1.190 691 G CA -0.310 44.820 45.100 0.051 0.000 0.933 691 G HN 0.836 nan 8.290 nan 0.000 0.503 692 H N -0.389 118.689 119.070 0.012 0.000 2.357 692 H HA -0.169 4.387 4.556 -0.000 0.000 0.296 692 H C 2.159 177.495 175.328 0.013 0.000 1.108 692 H CA 2.687 58.743 56.048 0.014 0.000 1.273 692 H CB 0.055 29.828 29.762 0.019 0.000 1.367 692 H HN 0.697 nan 8.280 nan 0.000 0.498 693 E N 0.507 120.611 120.200 -0.160 0.000 2.023 693 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 693 E C 2.267 178.774 176.600 -0.155 0.000 1.003 693 E CA 1.555 57.833 56.400 -0.203 0.000 0.809 693 E CB -0.095 29.568 29.700 -0.063 0.000 0.755 693 E HN 0.535 nan 8.360 nan 0.000 0.449 694 K N 0.764 121.119 120.400 -0.075 0.000 2.113 694 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 694 K C 2.319 178.886 176.600 -0.056 0.000 1.047 694 K CA 0.986 57.244 56.287 -0.049 0.000 0.928 694 K CB -0.261 32.227 32.500 -0.020 0.000 0.716 694 K HN 0.149 nan 8.250 nan 0.000 0.446 695 L N 0.969 122.155 121.223 -0.062 0.000 2.027 695 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 695 L C 2.094 178.919 176.870 -0.075 0.000 1.074 695 L CA 1.518 56.333 54.840 -0.042 0.000 0.745 695 L CB -0.423 41.638 42.059 0.004 0.000 0.898 695 L HN 0.211 nan 8.230 nan 0.000 0.433 696 T N -0.865 113.584 114.554 -0.175 0.000 2.720 696 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 696 T C 1.648 176.289 174.700 -0.098 0.000 1.037 696 T CA 1.647 63.644 62.100 -0.171 0.000 1.144 696 T CB -0.183 68.496 68.868 -0.314 0.000 0.864 696 T HN 0.296 nan 8.240 nan 0.000 0.444 697 Q N 1.502 121.245 119.800 -0.094 0.000 2.002 697 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 697 Q C 2.419 178.399 176.000 -0.033 0.000 0.988 697 Q CA 2.182 57.950 55.803 -0.058 0.000 0.843 697 Q CB -0.973 27.735 28.738 -0.049 0.000 0.908 697 Q HN 0.489 nan 8.270 nan 0.000 0.420 698 A N 0.917 123.723 122.820 -0.024 0.000 1.884 698 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 698 A C 2.169 179.756 177.584 0.005 0.000 1.197 698 A CA 2.337 54.373 52.037 -0.003 0.000 0.637 698 A CB -0.972 18.031 19.000 0.005 0.000 0.827 698 A HN 0.539 nan 8.150 nan 0.000 0.450 699 R N -0.113 120.387 120.500 0.000 0.000 2.113 699 R HA -0.263 4.077 4.340 -0.000 0.000 0.244 699 R C 1.843 178.147 176.300 0.006 0.000 1.142 699 R CA 2.322 58.429 56.100 0.012 0.000 0.953 699 R CB -0.550 29.753 30.300 0.004 0.000 0.860 699 R HN 0.585 nan 8.270 nan 0.000 0.438 700 N N 0.381 119.076 118.700 -0.009 0.000 2.084 700 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 700 N C 1.740 177.247 175.510 -0.005 0.000 1.030 700 N CA 1.677 54.721 53.050 -0.010 0.000 0.849 700 N CB -0.284 38.190 38.487 -0.022 0.000 1.012 700 N HN 0.391 nan 8.380 nan 0.000 0.423 701 Q N 0.300 120.098 119.800 -0.003 0.000 2.124 701 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 701 Q C 2.015 178.019 176.000 0.006 0.000 0.977 701 Q CA 0.966 56.771 55.803 0.003 0.000 0.850 701 Q CB -0.107 28.634 28.738 0.005 0.000 0.901 701 Q HN 0.449 nan 8.270 nan 0.000 0.429 702 L N 0.121 121.348 121.223 0.007 0.000 1.988 702 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 702 L C 2.243 179.096 176.870 -0.028 0.000 1.071 702 L CA 1.114 55.950 54.840 -0.006 0.000 0.744 702 L CB -0.222 41.852 42.059 0.025 0.000 0.893 702 L HN 0.330 nan 8.230 nan 0.000 0.433 703 L N -0.293 120.923 121.223 -0.012 0.000 2.187 703 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 703 L C 2.723 179.581 176.870 -0.021 0.000 1.100 703 L CA 0.909 55.739 54.840 -0.016 0.000 0.765 703 L CB -0.875 41.185 42.059 0.001 0.000 0.904 703 L HN 0.394 nan 8.230 nan 0.000 0.437 704 A N 0.053 122.867 122.820 -0.009 0.000 1.828 704 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 704 A C 2.194 179.785 177.584 0.011 0.000 1.203 704 A CA 1.396 53.434 52.037 0.001 0.000 0.614 704 A CB -0.498 18.506 19.000 0.007 0.000 0.844 704 A HN 0.309 nan 8.150 nan 0.000 0.445 705 E N 0.010 120.229 120.200 0.031 0.000 2.086 705 E HA -0.285 4.065 4.350 -0.000 0.000 0.205 705 E C 2.351 178.925 176.600 -0.043 0.000 1.027 705 E CA 1.505 57.968 56.400 0.106 0.000 0.830 705 E CB -0.952 28.827 29.700 0.131 0.000 0.751 705 E HN 0.568 nan 8.360 nan 0.000 0.456 706 A N 1.514 124.250 122.820 -0.140 0.000 1.903 706 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 706 A C 2.447 179.899 177.584 -0.220 0.000 1.191 706 A CA 3.002 54.889 52.037 -0.250 0.000 0.638 706 A CB -0.769 18.139 19.000 -0.153 0.000 0.823 706 A HN 0.327 nan 8.150 nan 0.000 0.451 707 A N -0.835 121.924 122.820 -0.102 0.000 1.929 707 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 707 A C 2.084 179.651 177.584 -0.028 0.000 1.176 707 A CA 1.782 53.783 52.037 -0.060 0.000 0.628 707 A CB -0.440 18.544 19.000 -0.028 0.000 0.816 707 A HN 0.581 nan 8.150 nan 0.000 0.444 708 K N -0.072 120.342 120.400 0.023 0.000 2.089 708 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 708 K C 0.161 176.862 176.600 0.168 0.000 1.048 708 K CA 1.755 58.110 56.287 0.113 0.000 0.926 708 K CB -0.199 32.417 32.500 0.195 0.000 0.714 708 K HN 0.821 nan 8.250 nan 0.000 0.448 709 H N -0.794 118.263 119.070 -0.022 0.000 2.607 709 H HA 0.378 4.934 4.556 -0.000 0.000 0.248 709 H C -2.788 172.526 175.328 -0.023 0.000 1.355 709 H CA -2.550 53.484 56.048 -0.022 0.000 1.524 709 H CB 0.225 29.973 29.762 -0.024 0.000 1.563 709 H HN 0.074 nan 8.280 nan 0.000 0.509 713 L N -0.463 120.747 121.223 -0.022 0.000 2.740 713 L HA 0.804 5.144 4.340 -0.000 0.000 0.217 713 L C 1.040 177.893 176.870 -0.028 0.000 1.869 713 L CA 0.155 54.977 54.840 -0.030 0.000 2.863 713 L CB 0.071 42.113 42.059 -0.029 0.000 2.720 713 L HN 0.500 nan 8.230 nan 0.000 0.700 714 T N -4.470 110.069 114.554 -0.026 0.000 2.680 714 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 714 T C -0.937 173.743 174.700 -0.034 0.000 1.774 714 T CA -0.242 61.855 62.100 -0.004 0.000 0.969 714 T CB 0.532 69.412 68.868 0.019 0.000 2.053 714 T HN 0.420 nan 8.240 nan 0.000 0.426 715 S N 0.390 116.067 115.700 -0.039 0.000 2.284 715 S HA 0.484 4.954 4.470 -0.000 0.000 0.220 715 S C -1.110 173.425 174.600 -0.109 0.000 0.692 715 S CA -0.194 57.957 58.200 -0.082 0.000 0.895 715 S CB -0.368 62.763 63.200 -0.116 0.000 1.346 715 S HN 1.799 nan 8.310 nan 0.000 0.391 716 V N 2.124 122.009 119.914 -0.048 0.000 2.864 716 V HA 0.991 5.111 4.120 -0.000 0.000 0.314 716 V C -0.463 175.616 176.094 -0.025 0.000 1.073 716 V CA -0.740 61.546 62.300 -0.023 0.000 0.956 716 V CB 2.068 33.937 31.823 0.076 0.000 1.023 716 V HN 0.740 nan 8.190 nan 0.000 0.435 717 R N 1.907 122.397 120.500 -0.016 0.000 2.690 717 R HA 0.563 4.903 4.340 -0.000 0.000 0.269 717 R C -3.124 173.181 176.300 0.009 0.000 1.037 717 R CA -1.413 54.682 56.100 -0.007 0.000 0.877 717 R CB 2.291 32.577 30.300 -0.023 0.000 1.255 717 R HN 0.678 nan 8.270 nan 0.000 0.467 718 P HA 0.086 nan 4.420 nan 0.000 0.275 718 P C -0.001 177.309 177.300 0.017 0.000 1.270 718 P CA -0.095 63.019 63.100 0.023 0.000 0.791 718 P CB 0.935 32.651 31.700 0.027 0.000 1.089 719 N N -0.959 117.753 118.700 0.019 0.000 2.290 719 N HA 0.033 4.773 4.740 -0.000 0.000 0.179 719 N C 1.203 176.732 175.510 0.033 0.000 1.016 719 N CA 1.717 54.777 53.050 0.016 0.000 0.871 719 N CB -0.062 38.432 38.487 0.011 0.000 0.987 719 N HN 0.662 nan 8.380 nan 0.000 0.431 720 G N -1.298 107.528 108.800 0.043 0.000 4.362 720 G HA2 0.019 3.979 3.960 -0.000 0.000 0.220 720 G HA3 0.019 3.979 3.960 -0.000 0.000 0.220 720 G C -0.959 173.977 174.900 0.060 0.000 0.795 720 G CA -0.446 44.686 45.100 0.055 0.000 0.920 720 G HN 0.076 nan 8.290 nan 0.000 0.715 721 L N 2.748 124.009 121.223 0.063 0.000 2.505 721 L HA 0.350 4.690 4.340 -0.000 0.000 0.279 721 L C 1.510 178.428 176.870 0.080 0.000 1.211 721 L CA 0.353 55.240 54.840 0.078 0.000 1.059 721 L CB -0.008 42.113 42.059 0.103 0.000 1.340 721 L HN 0.254 nan 8.230 nan 0.000 0.447 722 E N 0.966 121.212 120.200 0.077 0.000 2.031 722 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 722 E C 0.106 176.759 176.600 0.087 0.000 0.994 722 E CA 0.916 57.360 56.400 0.074 0.000 0.800 722 E CB 0.067 29.813 29.700 0.076 0.000 0.752 722 E HN 0.680 nan 8.360 nan 0.000 0.447 723 D N 0.692 121.163 120.400 0.118 0.000 3.992 723 D HA -0.105 4.535 4.640 -0.000 0.000 0.250 723 D C -0.819 175.612 176.300 0.218 0.000 1.040 723 D CA 0.920 55.017 54.000 0.161 0.000 1.125 723 D CB -0.890 39.995 40.800 0.142 0.000 0.900 723 D HN 0.246 nan 8.370 nan 0.000 0.410 724 T N 0.657 115.357 114.554 0.244 0.000 2.912 724 T HA 0.855 5.205 4.350 -0.000 0.000 0.280 724 T C -2.496 172.416 174.700 0.353 0.000 0.989 724 T CA -1.386 60.902 62.100 0.314 0.000 0.995 724 T CB 2.229 71.217 68.868 0.200 0.000 1.077 724 T HN 0.174 nan 8.240 nan 0.000 0.531 725 P HA 0.262 nan 4.420 nan 0.000 0.274 725 P C -1.098 176.259 177.300 0.094 0.000 1.231 725 P CA -0.376 62.670 63.100 -0.091 0.000 0.790 725 P CB 0.661 32.263 31.700 -0.163 0.000 0.951 726 Q N 0.609 120.403 119.800 -0.011 0.000 2.423 726 Q HA 0.458 4.798 4.340 -0.000 0.000 0.278 726 Q C -1.258 174.505 176.000 -0.395 0.000 1.097 726 Q CA -0.714 54.999 55.803 -0.150 0.000 0.809 726 Q CB 2.111 30.791 28.738 -0.095 0.000 1.391 726 Q HN 0.363 nan 8.270 nan 0.000 0.428 727 F N 2.510 121.973 119.950 -0.811 0.000 2.368 727 F HA 0.316 4.843 4.527 -0.000 0.000 0.362 727 F C -0.272 175.197 175.800 -0.552 0.000 1.137 727 F CA -0.721 56.659 58.000 -1.032 0.000 1.161 727 F CB 0.418 38.721 39.000 -1.162 0.000 1.265 727 F HN 0.236 nan 8.300 nan 0.000 0.530 728 K N 6.673 126.603 120.400 -0.782 0.000 2.234 728 K HA 0.475 4.795 4.320 -0.000 0.000 0.282 728 K C -1.165 174.999 176.600 -0.728 0.000 1.039 728 K CA -0.089 55.855 56.287 -0.572 0.000 0.928 728 K CB 0.369 32.667 32.500 -0.337 0.000 1.039 728 K HN 0.663 nan 8.250 nan 0.000 0.470 729 I N 3.944 124.219 120.570 -0.491 0.000 2.382 729 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 729 I C -0.803 175.211 176.117 -0.171 0.000 1.002 729 I CA -0.950 60.133 61.300 -0.361 0.000 1.135 729 I CB 1.740 39.592 38.000 -0.247 0.000 1.288 729 I HN 0.591 nan 8.210 nan 0.000 0.448 730 D N 7.301 127.624 120.400 -0.129 0.000 2.317 730 D HA 0.343 4.983 4.640 -0.000 0.000 0.234 730 D C -0.270 176.029 176.300 -0.001 0.000 1.112 730 D CA -0.192 53.771 54.000 -0.061 0.000 0.840 730 D CB 1.430 42.193 40.800 -0.062 0.000 1.078 730 D HN 0.188 nan 8.370 nan 0.000 0.486 731 I N 2.401 122.988 120.570 0.028 0.000 2.287 731 I HA 0.091 4.261 4.170 -0.000 0.000 0.290 731 I C 0.269 176.420 176.117 0.056 0.000 1.069 731 I CA -0.600 60.752 61.300 0.086 0.000 1.237 731 I CB 0.469 38.517 38.000 0.080 0.000 1.418 731 I HN 0.355 nan 8.210 nan 0.000 0.481 732 D N 6.221 126.665 120.400 0.074 0.000 2.346 732 D HA -0.004 4.636 4.640 -0.000 0.000 0.267 732 D C 1.398 177.714 176.300 0.026 0.000 1.320 732 D CA 0.065 54.092 54.000 0.044 0.000 0.951 732 D CB 0.906 41.736 40.800 0.049 0.000 1.079 732 D HN 0.297 nan 8.370 nan 0.000 0.509 733 Q N 2.905 122.703 119.800 -0.003 0.000 2.133 733 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 733 Q C 1.360 177.344 176.000 -0.027 0.000 0.991 733 Q CA 1.494 57.279 55.803 -0.030 0.000 0.867 733 Q CB -0.046 28.676 28.738 -0.026 0.000 0.911 733 Q HN 0.720 nan 8.270 nan 0.000 0.417 734 E N 0.836 121.031 120.200 -0.008 0.000 2.007 734 E HA -0.202 4.148 4.350 -0.000 0.000 0.203 734 E C 2.050 178.650 176.600 0.000 0.000 1.020 734 E CA 1.297 57.695 56.400 -0.004 0.000 0.845 734 E CB -0.172 29.531 29.700 0.004 0.000 0.779 734 E HN 0.284 nan 8.360 nan 0.000 0.466 735 K N 0.494 120.907 120.400 0.023 0.000 2.107 735 K HA -0.250 4.070 4.320 -0.000 0.000 0.211 735 K C 2.177 178.793 176.600 0.028 0.000 1.049 735 K CA 1.373 57.686 56.287 0.044 0.000 0.927 735 K CB -0.304 32.247 32.500 0.085 0.000 0.714 735 K HN 0.145 nan 8.250 nan 0.000 0.452 736 A N 1.537 124.349 122.820 -0.013 0.000 1.858 736 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 736 A C 1.950 179.464 177.584 -0.117 0.000 1.190 736 A CA 1.477 53.425 52.037 -0.149 0.000 0.617 736 A CB -0.521 18.318 19.000 -0.267 0.000 0.827 736 A HN 0.354 nan 8.150 nan 0.000 0.443 737 Q N -0.840 118.914 119.800 -0.078 0.000 2.541 737 Q HA 0.098 4.438 4.340 -0.000 0.000 0.215 737 Q C 1.885 177.864 176.000 -0.036 0.000 0.977 737 Q CA 0.632 56.400 55.803 -0.058 0.000 0.934 737 Q CB -0.212 28.501 28.738 -0.043 0.000 0.988 737 Q HN 0.719 nan 8.270 nan 0.000 0.521 738 A N 0.233 123.038 122.820 -0.025 0.000 1.938 738 A HA 0.073 4.393 4.320 -0.000 0.000 0.207 738 A C 1.769 179.351 177.584 -0.003 0.000 1.292 738 A CA 0.012 52.044 52.037 -0.008 0.000 0.700 738 A CB -0.228 18.775 19.000 0.004 0.000 0.947 738 A HN 0.250 nan 8.150 nan 0.000 0.476 739 L N -0.235 120.991 121.223 0.005 0.000 2.450 739 L HA 0.043 4.383 4.340 -0.000 0.000 0.224 739 L C 1.572 178.441 176.870 -0.001 0.000 1.149 739 L CA 0.799 55.650 54.840 0.019 0.000 0.816 739 L CB -0.569 41.527 42.059 0.061 0.000 0.932 739 L HN 0.656 nan 8.230 nan 0.000 0.449 740 G N 0.511 109.296 108.800 -0.026 0.000 2.140 740 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.211 740 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.211 740 G C 0.089 174.957 174.900 -0.053 0.000 1.013 740 G CA 0.024 45.105 45.100 -0.031 0.000 0.705 740 G HN 0.247 nan 8.290 nan 0.000 0.508 741 V N -2.024 117.826 119.914 -0.106 0.000 2.483 741 V HA 0.889 5.009 4.120 -0.000 0.000 0.295 741 V C 0.551 176.533 176.094 -0.187 0.000 1.035 741 V CA -0.345 61.856 62.300 -0.165 0.000 0.896 741 V CB 1.800 33.436 31.823 -0.311 0.000 0.986 741 V HN 0.929 nan 8.190 nan 0.000 0.447 742 S N 2.790 118.404 115.700 -0.142 0.000 2.489 742 S HA 0.428 4.898 4.470 -0.000 0.000 0.277 742 S C 0.985 175.494 174.600 -0.150 0.000 1.230 742 S CA -0.590 57.540 58.200 -0.117 0.000 1.053 742 S CB 0.448 63.610 63.200 -0.064 0.000 0.955 742 S HN 0.636 nan 8.310 nan 0.000 0.488 743 I N 5.356 125.842 120.570 -0.140 0.000 2.151 743 I HA -0.238 3.931 4.170 -0.000 0.000 0.243 743 I C 2.346 178.416 176.117 -0.079 0.000 1.080 743 I CA 1.355 62.575 61.300 -0.133 0.000 1.339 743 I CB -0.763 37.185 38.000 -0.087 0.000 1.039 743 I HN 0.636 nan 8.210 nan 0.000 0.409 744 N N 0.915 119.587 118.700 -0.047 0.000 2.021 744 N HA -0.233 4.507 4.740 -0.000 0.000 0.198 744 N C 1.556 177.065 175.510 -0.002 0.000 1.041 744 N CA 2.059 55.100 53.050 -0.014 0.000 0.862 744 N CB -0.683 37.799 38.487 -0.008 0.000 1.048 744 N HN 0.471 nan 8.380 nan 0.000 0.427 745 D N 1.079 121.471 120.400 -0.012 0.000 2.123 745 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 745 D C 2.185 178.510 176.300 0.041 0.000 0.992 745 D CA 0.611 54.622 54.000 0.018 0.000 0.833 745 D CB -0.250 40.555 40.800 0.009 0.000 0.954 745 D HN 0.328 nan 8.370 nan 0.000 0.455 746 I N 1.424 121.974 120.570 -0.034 0.000 2.127 746 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 746 I C 2.247 178.453 176.117 0.149 0.000 1.075 746 I CA 0.947 62.240 61.300 -0.011 0.000 1.334 746 I CB -0.296 37.545 38.000 -0.265 0.000 1.040 746 I HN -0.021 nan 8.210 nan 0.000 0.405 747 N N 0.242 118.990 118.700 0.080 0.000 2.028 747 N HA -0.197 4.543 4.740 -0.000 0.000 0.194 747 N C 1.957 177.524 175.510 0.095 0.000 1.050 747 N CA 2.127 55.235 53.050 0.097 0.000 0.848 747 N CB -0.935 37.583 38.487 0.052 0.000 1.038 747 N HN 0.286 nan 8.380 nan 0.000 0.423 748 T N 0.716 115.314 114.554 0.073 0.000 2.792 748 T HA -0.184 4.165 4.350 -0.000 0.000 0.268 748 T C 1.876 176.618 174.700 0.070 0.000 1.059 748 T CA 2.504 64.644 62.100 0.067 0.000 1.136 748 T CB -0.420 68.483 68.868 0.058 0.000 0.846 748 T HN 0.568 nan 8.240 nan 0.000 0.489 749 T N -0.295 114.324 114.554 0.109 0.000 2.894 749 T HA 0.070 4.419 4.350 -0.000 0.000 0.258 749 T C 1.854 176.567 174.700 0.022 0.000 1.043 749 T CA 0.934 63.097 62.100 0.105 0.000 1.141 749 T CB -0.626 68.385 68.868 0.237 0.000 0.873 749 T HN 0.299 nan 8.240 nan 0.000 0.449 750 L N 2.209 123.507 121.223 0.126 0.000 2.191 750 L HA 0.288 4.628 4.340 -0.000 0.000 0.212 750 L C 2.200 179.073 176.870 0.005 0.000 1.103 750 L CA 1.579 56.431 54.840 0.020 0.000 0.769 750 L CB -1.169 40.972 42.059 0.137 0.000 0.908 750 L HN 0.391 nan 8.230 nan 0.000 0.438 751 G N -1.169 107.645 108.800 0.023 0.000 2.624 751 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.216 751 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.216 751 G C 1.562 176.467 174.900 0.010 0.000 1.274 751 G CA 0.627 45.742 45.100 0.024 0.000 0.856 751 G HN 0.526 nan 8.290 nan 0.000 0.555 752 A N 0.971 123.793 122.820 0.004 0.000 2.023 752 A HA -0.018 4.302 4.320 -0.000 0.000 0.223 752 A C 2.685 180.217 177.584 -0.087 0.000 1.180 752 A CA 2.880 54.912 52.037 -0.008 0.000 0.659 752 A CB -0.805 18.199 19.000 0.007 0.000 0.817 752 A HN 0.923 nan 8.150 nan 0.000 0.466 753 A N -1.690 120.994 122.820 -0.227 0.000 1.832 753 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 753 A C 1.872 179.222 177.584 -0.391 0.000 1.204 753 A CA 1.373 53.079 52.037 -0.552 0.000 0.606 753 A CB -0.820 17.356 19.000 -1.374 0.000 0.849 753 A HN 0.704 nan 8.150 nan 0.000 0.445 754 W N -0.824 120.274 121.300 -0.338 0.000 2.658 754 W HA 0.293 4.953 4.660 -0.000 0.000 0.263 754 W C 2.058 178.519 176.519 -0.097 0.000 1.274 754 W CA 0.783 58.017 57.345 -0.185 0.000 1.343 754 W CB -0.088 29.251 29.460 -0.201 0.000 1.106 754 W HN 0.396 nan 8.180 nan 0.000 0.615 755 G N -1.000 107.863 108.800 0.103 0.000 3.274 755 G HA2 0.437 4.397 3.960 -0.000 0.000 0.250 755 G HA3 0.437 4.397 3.960 -0.000 0.000 0.250 755 G C 0.750 175.672 174.900 0.036 0.000 1.024 755 G CA 0.104 45.240 45.100 0.059 0.000 0.840 755 G HN 0.355 nan 8.290 nan 0.000 0.522 756 G N 0.026 108.843 108.800 0.027 0.000 2.894 756 G HA2 0.253 4.213 3.960 -0.000 0.000 0.247 756 G HA3 0.253 4.213 3.960 -0.000 0.000 0.247 756 G C -0.009 174.956 174.900 0.109 0.000 1.442 756 G CA 0.344 45.467 45.100 0.038 0.000 0.897 756 G HN 1.866 nan 8.290 nan 0.000 0.550 757 S N -1.634 114.188 115.700 0.203 0.000 2.542 757 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 757 S C -0.954 173.860 174.600 0.357 0.000 1.148 757 S CA -0.288 58.072 58.200 0.265 0.000 0.886 757 S CB 1.693 64.983 63.200 0.149 0.000 1.109 757 S HN 1.949 nan 8.310 nan 0.000 0.458 758 Y N 4.048 124.456 120.300 0.180 0.000 2.624 758 Y HA 0.428 4.978 4.550 -0.000 0.000 0.354 758 Y C 0.834 176.684 175.900 -0.083 0.000 1.051 758 Y CA -0.126 57.908 58.100 -0.110 0.000 1.377 758 Y CB -0.214 38.212 38.460 -0.057 0.000 1.168 758 Y HN 0.608 nan 8.280 nan 0.000 0.525 759 V N 4.831 124.521 119.914 -0.374 0.000 2.278 759 V HA -0.078 4.042 4.120 -0.000 0.000 0.231 759 V C 0.660 176.471 176.094 -0.472 0.000 1.048 759 V CA 1.372 63.490 62.300 -0.304 0.000 1.015 759 V CB -0.588 31.133 31.823 -0.169 0.000 0.652 759 V HN 0.739 nan 8.190 nan 0.000 0.466 760 N N -1.776 116.661 118.700 -0.437 0.000 3.229 760 N HA 0.289 5.029 4.740 -0.000 0.000 0.315 760 N C -1.668 173.661 175.510 -0.301 0.000 1.520 760 N CA -0.665 52.176 53.050 -0.347 0.000 0.769 760 N CB 1.762 40.178 38.487 -0.119 0.000 1.766 760 N HN 0.236 nan 8.380 nan 0.000 0.618 761 D N -0.676 119.664 120.400 -0.100 0.000 2.392 761 D HA 0.487 5.127 4.640 -0.000 0.000 0.246 761 D C -1.060 175.364 176.300 0.207 0.000 1.013 761 D CA 0.036 54.053 54.000 0.029 0.000 0.993 761 D CB 1.550 42.359 40.800 0.014 0.000 1.219 761 D HN 0.449 nan 8.370 nan 0.000 0.538 762 F N -1.069 118.900 119.950 0.031 0.000 2.665 762 F HA 0.486 5.013 4.527 -0.000 0.000 0.308 762 F C -1.818 174.021 175.800 0.065 0.000 1.112 762 F CA -1.177 56.881 58.000 0.096 0.000 0.972 762 F CB 0.518 39.644 39.000 0.209 0.000 1.295 762 F HN -0.009 nan 8.300 nan 0.000 0.440 763 I N 2.890 123.422 120.570 -0.064 0.000 2.416 763 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 763 I C -0.597 175.413 176.117 -0.178 0.000 1.051 763 I CA 0.233 61.423 61.300 -0.183 0.000 1.375 763 I CB 0.734 38.723 38.000 -0.018 0.000 1.407 763 I HN 0.632 nan 8.210 nan 0.000 0.516 764 D N 5.712 125.918 120.400 -0.324 0.000 2.481 764 D HA 0.389 5.029 4.640 -0.000 0.000 0.246 764 D C -0.132 176.166 176.300 -0.003 0.000 1.109 764 D CA -0.516 53.435 54.000 -0.082 0.000 0.845 764 D CB 0.623 41.324 40.800 -0.164 0.000 1.160 764 D HN 0.389 nan 8.370 nan 0.000 0.534 765 R N 3.272 123.808 120.500 0.060 0.000 3.266 765 R HA -0.240 4.100 4.340 -0.000 0.000 0.245 765 R C 1.017 177.333 176.300 0.027 0.000 0.941 765 R CA 0.784 56.916 56.100 0.055 0.000 0.638 765 R CB -1.738 28.608 30.300 0.078 0.000 1.019 765 R HN 0.924 nan 8.270 nan 0.000 0.462 766 G N -0.470 108.333 108.800 0.005 0.000 3.922 766 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.208 766 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.208 766 G C 0.171 175.048 174.900 -0.038 0.000 1.491 766 G CA 0.120 45.214 45.100 -0.010 0.000 1.017 766 G HN 0.387 nan 8.290 nan 0.000 0.603 767 R N 0.506 120.980 120.500 -0.043 0.000 2.679 767 R HA 0.437 4.777 4.340 -0.000 0.000 0.268 767 R C 0.103 176.319 176.300 -0.140 0.000 1.044 767 R CA 0.334 56.392 56.100 -0.069 0.000 1.105 767 R CB 1.512 31.783 30.300 -0.047 0.000 0.989 767 R HN 0.463 nan 8.270 nan 0.000 0.447 768 V N 3.578 123.410 119.914 -0.137 0.000 2.406 768 V HA 0.231 4.351 4.120 -0.000 0.000 0.272 768 V C -0.413 175.550 176.094 -0.217 0.000 1.043 768 V CA -0.003 62.179 62.300 -0.196 0.000 0.915 768 V CB 0.665 32.424 31.823 -0.107 0.000 0.988 768 V HN 0.661 nan 8.190 nan 0.000 0.466 769 K N 4.778 124.935 120.400 -0.405 0.000 2.316 769 K HA 0.612 4.932 4.320 -0.000 0.000 0.234 769 K C -0.649 175.885 176.600 -0.110 0.000 1.054 769 K CA -1.062 55.072 56.287 -0.255 0.000 0.879 769 K CB 1.904 34.247 32.500 -0.261 0.000 1.252 769 K HN 0.557 nan 8.250 nan 0.000 0.471 770 K N 0.360 120.804 120.400 0.074 0.000 2.117 770 K HA 0.426 4.746 4.320 -0.000 0.000 0.240 770 K C -0.718 175.956 176.600 0.123 0.000 1.031 770 K CA -0.659 55.690 56.287 0.104 0.000 0.909 770 K CB 0.874 33.397 32.500 0.037 0.000 1.097 770 K HN 0.093 nan 8.250 nan 0.000 0.492 771 V N 2.255 122.069 119.914 -0.166 0.000 2.509 771 V HA 0.221 4.341 4.120 -0.000 0.000 0.289 771 V C -1.559 174.327 176.094 -0.346 0.000 1.026 771 V CA -0.831 61.334 62.300 -0.226 0.000 0.872 771 V CB 0.419 32.144 31.823 -0.163 0.000 1.017 771 V HN 0.559 nan 8.190 nan 0.000 0.436 772 Y N 2.685 122.908 120.300 -0.129 0.000 2.457 772 Y HA 0.721 5.271 4.550 -0.000 0.000 0.333 772 Y C 0.144 175.905 175.900 -0.231 0.000 1.119 772 Y CA -0.928 57.093 58.100 -0.131 0.000 1.143 772 Y CB 2.157 40.547 38.460 -0.117 0.000 1.230 772 Y HN 0.372 nan 8.280 nan 0.000 0.469 773 V N 5.365 125.297 119.914 0.030 0.000 2.447 773 V HA 0.437 4.557 4.120 -0.000 0.000 0.292 773 V C -0.823 175.246 176.094 -0.042 0.000 1.021 773 V CA -0.228 62.034 62.300 -0.063 0.000 0.850 773 V CB 1.119 32.927 31.823 -0.025 0.000 1.005 773 V HN 1.062 nan 8.190 nan 0.000 0.426 774 M N 4.995 124.535 119.600 -0.101 0.000 3.105 774 M HA 0.680 5.160 4.480 -0.000 0.000 0.157 774 M C -0.292 176.060 176.300 0.088 0.000 1.882 774 M CA 0.680 55.973 55.300 -0.012 0.000 1.650 774 M CB 1.787 34.391 32.600 0.007 0.000 0.973 774 M HN 0.872 nan 8.290 nan 0.000 0.629 775 S N -0.147 115.727 115.700 0.290 0.000 2.751 775 S HA 0.179 4.649 4.470 -0.000 0.000 0.289 775 S C -1.596 173.211 174.600 0.345 0.000 0.965 775 S CA -1.073 57.317 58.200 0.318 0.000 0.855 775 S CB 0.154 63.520 63.200 0.276 0.000 1.068 775 S HN 0.532 nan 8.310 nan 0.000 0.462 776 E N 0.832 121.148 120.200 0.193 0.000 2.436 776 E HA 0.320 4.670 4.350 -0.000 0.000 0.262 776 E C 1.555 178.159 176.600 0.007 0.000 1.063 776 E CA 0.288 56.693 56.400 0.008 0.000 0.944 776 E CB 0.416 30.159 29.700 0.072 0.000 0.950 776 E HN 0.802 nan 8.360 nan 0.000 0.444 777 A N 3.527 126.253 122.820 -0.157 0.000 1.898 777 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 777 A C 1.698 179.211 177.584 -0.118 0.000 1.181 777 A CA 1.563 53.506 52.037 -0.156 0.000 0.620 777 A CB -0.436 18.432 19.000 -0.220 0.000 0.819 777 A HN 0.677 nan 8.150 nan 0.000 0.442 778 K N -1.661 118.673 120.400 -0.111 0.000 2.633 778 K HA -0.098 4.222 4.320 -0.000 0.000 0.193 778 K C -0.162 176.166 176.600 -0.453 0.000 1.033 778 K CA 1.186 57.321 56.287 -0.254 0.000 0.980 778 K CB -0.446 31.872 32.500 -0.303 0.000 0.800 778 K HN 0.581 nan 8.250 nan 0.000 0.493 779 Y N 0.863 121.059 120.300 -0.174 0.000 2.738 779 Y HA 0.245 4.795 4.550 -0.000 0.000 0.249 779 Y C 0.127 175.850 175.900 -0.294 0.000 1.157 779 Y CA -0.890 57.103 58.100 -0.178 0.000 1.189 779 Y CB 0.882 39.237 38.460 -0.175 0.000 1.262 779 Y HN 0.146 nan 8.280 nan 0.000 0.554 780 R N -2.004 118.294 120.500 -0.338 0.000 2.490 780 R HA 0.253 4.593 4.340 -0.000 0.000 0.410 780 R C -0.226 175.889 176.300 -0.309 0.000 0.876 780 R CA 0.007 55.564 56.100 -0.905 0.000 1.061 780 R CB -0.511 29.147 30.300 -1.070 0.000 1.553 780 R HN 0.019 nan 8.270 nan 0.000 0.593 781 M N 0.395 119.930 119.600 -0.109 0.000 2.557 781 M HA 0.346 4.826 4.480 -0.000 0.000 0.262 781 M C 0.566 176.913 176.300 0.079 0.000 1.168 781 M CA 0.677 55.973 55.300 -0.007 0.000 1.194 781 M CB -0.085 32.480 32.600 -0.058 0.000 1.311 781 M HN 0.180 nan 8.290 nan 0.000 0.489 782 L N 1.081 122.354 121.223 0.084 0.000 2.334 782 L HA 0.295 4.635 4.340 -0.000 0.000 0.273 782 L C -1.294 175.641 176.870 0.109 0.000 1.013 782 L CA -1.812 53.072 54.840 0.072 0.000 0.816 782 L CB 1.807 43.879 42.059 0.021 0.000 1.278 782 L HN -0.060 nan 8.230 nan 0.000 0.431 783 P HA -0.209 nan 4.420 nan 0.000 0.218 783 P C 0.486 177.775 177.300 -0.018 0.000 1.146 783 P CA 1.319 64.229 63.100 -0.317 0.000 0.813 783 P CB 0.280 31.580 31.700 -0.667 0.000 0.778 784 D N 0.251 120.678 120.400 0.045 0.000 2.263 784 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 784 D C 1.340 177.713 176.300 0.121 0.000 0.971 784 D CA 0.903 54.950 54.000 0.078 0.000 0.867 784 D CB -0.393 40.434 40.800 0.046 0.000 0.929 784 D HN 0.284 nan 8.370 nan 0.000 0.492 785 D N 0.724 121.239 120.400 0.193 0.000 2.350 785 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 785 D C 2.133 178.707 176.300 0.457 0.000 0.968 785 D CA 0.033 54.191 54.000 0.264 0.000 0.894 785 D CB 0.212 41.169 40.800 0.262 0.000 0.909 785 D HN 0.236 nan 8.370 nan 0.000 0.520 786 I N 1.262 122.072 120.570 0.401 0.000 2.315 786 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 786 I C 2.552 178.781 176.117 0.186 0.000 1.125 786 I CA 1.071 62.520 61.300 0.248 0.000 1.392 786 I CB -1.406 36.598 38.000 0.007 0.000 1.065 786 I HN -0.007 nan 8.210 nan 0.000 0.424 787 G N 0.641 109.534 108.800 0.155 0.000 2.402 787 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 787 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 787 G C 1.254 176.080 174.900 -0.124 0.000 1.162 787 G CA 0.502 45.661 45.100 0.099 0.000 0.777 787 G HN 0.344 nan 8.290 nan 0.000 0.539 788 D N 0.060 120.369 120.400 -0.153 0.000 2.280 788 D HA -0.090 4.550 4.640 -0.000 0.000 0.206 788 D C 0.089 175.909 176.300 -0.800 0.000 0.988 788 D CA 0.687 54.419 54.000 -0.447 0.000 0.886 788 D CB -0.035 40.549 40.800 -0.360 0.000 0.914 788 D HN 0.435 nan 8.370 nan 0.000 0.473 789 W N 0.310 121.408 121.300 -0.337 0.000 2.335 789 W HA 0.315 4.975 4.660 -0.000 0.000 0.307 789 W C -0.365 176.096 176.519 -0.096 0.000 1.117 789 W CA -0.793 56.437 57.345 -0.192 0.000 1.228 789 W CB 0.399 29.853 29.460 -0.010 0.000 1.240 789 W HN -0.216 nan 8.180 nan 0.000 0.468 790 Y N 1.929 122.496 120.300 0.446 0.000 2.429 790 Y HA 0.600 5.150 4.550 -0.000 0.000 0.342 790 Y C 0.155 176.290 175.900 0.392 0.000 1.004 790 Y CA -1.868 56.465 58.100 0.390 0.000 1.075 790 Y CB 0.951 39.552 38.460 0.235 0.000 1.214 790 Y HN 0.032 nan 8.280 nan 0.000 0.455 791 V N 2.857 123.102 119.914 0.552 0.000 2.713 791 V HA 0.521 4.641 4.120 -0.000 0.000 0.307 791 V C 0.186 176.424 176.094 0.241 0.000 1.052 791 V CA -1.180 61.338 62.300 0.364 0.000 0.967 791 V CB 1.625 33.615 31.823 0.278 0.000 1.019 791 V HN 0.667 nan 8.190 nan 0.000 0.459 792 R N 1.803 122.402 120.500 0.164 0.000 2.726 792 R HA 0.650 4.990 4.340 -0.000 0.000 0.272 792 R C -0.292 176.046 176.300 0.063 0.000 1.097 792 R CA 0.686 56.852 56.100 0.109 0.000 1.198 792 R CB 0.676 31.029 30.300 0.089 0.000 1.114 792 R HN 1.009 nan 8.270 nan 0.000 0.550 793 A N 1.013 123.860 122.820 0.045 0.000 2.515 793 A HA 0.628 4.948 4.320 -0.000 0.000 0.296 793 A C 0.397 177.988 177.584 0.012 0.000 1.094 793 A CA -0.271 51.777 52.037 0.018 0.000 0.718 793 A CB 1.264 20.278 19.000 0.023 0.000 1.307 793 A HN 0.828 nan 8.150 nan 0.000 0.408 794 A N 0.653 123.473 122.820 -0.001 0.000 1.927 794 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 794 A C 1.011 178.598 177.584 0.005 0.000 1.185 794 A CA 2.245 54.282 52.037 -0.000 0.000 0.639 794 A CB -0.836 18.160 19.000 -0.007 0.000 0.820 794 A HN 0.996 nan 8.150 nan 0.000 0.451 795 D N -0.478 119.925 120.400 0.006 0.000 2.977 795 D HA 0.322 4.962 4.640 -0.000 0.000 0.241 795 D C 0.937 177.244 176.300 0.012 0.000 1.206 795 D CA 0.204 54.209 54.000 0.007 0.000 0.902 795 D CB -1.525 39.279 40.800 0.006 0.000 1.131 795 D HN 0.550 nan 8.370 nan 0.000 0.447 796 G N 1.308 110.117 108.800 0.015 0.000 2.467 796 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.302 796 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.302 796 G C -0.117 174.797 174.900 0.024 0.000 0.930 796 G CA 0.940 46.052 45.100 0.021 0.000 1.008 796 G HN 0.762 nan 8.290 nan 0.000 0.512 797 Q N -1.799 118.017 119.800 0.027 0.000 2.345 797 Q HA 0.766 5.106 4.340 -0.000 0.000 0.275 797 Q C -0.102 175.923 176.000 0.042 0.000 1.063 797 Q CA -1.492 54.326 55.803 0.025 0.000 0.819 797 Q CB 1.189 29.934 28.738 0.011 0.000 1.356 797 Q HN 0.033 nan 8.270 nan 0.000 0.418 798 M N 1.266 120.892 119.600 0.042 0.000 2.150 798 M HA 0.307 4.786 4.480 -0.000 0.000 0.278 798 M C -0.763 175.574 176.300 0.062 0.000 1.213 798 M CA 0.207 55.553 55.300 0.076 0.000 1.147 798 M CB 0.896 33.524 32.600 0.047 0.000 1.371 798 M HN 0.600 nan 8.290 nan 0.000 0.444 799 V N 2.082 122.084 119.914 0.148 0.000 2.752 799 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 799 V C -2.466 173.829 176.094 0.335 0.000 1.133 799 V CA -1.407 61.004 62.300 0.185 0.000 0.919 799 V CB 2.178 34.157 31.823 0.261 0.000 1.026 799 V HN 0.746 nan 8.190 nan 0.000 0.429 800 P HA 0.053 nan 4.420 nan 0.000 0.267 800 P C 0.696 178.156 177.300 0.267 0.000 1.209 800 P CA 0.182 63.547 63.100 0.441 0.000 0.763 800 P CB 0.660 32.485 31.700 0.209 0.000 0.816 801 F N 4.031 124.081 119.950 0.168 0.000 2.192 801 F HA -0.227 4.300 4.527 -0.000 0.000 0.301 801 F C 2.209 177.586 175.800 -0.704 0.000 1.079 801 F CA 2.323 60.126 58.000 -0.328 0.000 1.303 801 F CB -0.276 38.724 39.000 0.002 0.000 1.024 801 F HN 0.315 nan 8.300 nan 0.000 0.494 802 S N -0.555 115.112 115.700 -0.055 0.000 2.607 802 S HA 0.139 4.609 4.470 -0.000 0.000 0.224 802 S C 1.881 176.387 174.600 -0.156 0.000 0.969 802 S CA 0.306 58.461 58.200 -0.074 0.000 0.927 802 S CB -0.508 62.732 63.200 0.066 0.000 0.772 802 S HN 0.343 nan 8.310 nan 0.000 0.533 803 A N 1.551 124.221 122.820 -0.250 0.000 1.975 803 A HA 0.307 4.627 4.320 -0.000 0.000 0.215 803 A C 1.533 179.093 177.584 -0.040 0.000 1.170 803 A CA 0.741 52.734 52.037 -0.072 0.000 0.656 803 A CB -0.554 18.490 19.000 0.074 0.000 0.821 803 A HN 0.826 nan 8.150 nan 0.000 0.449 804 F N -2.383 117.536 119.950 -0.052 0.000 2.746 804 F HA 0.497 5.024 4.527 -0.000 0.000 0.320 804 F C 0.748 176.488 175.800 -0.100 0.000 1.097 804 F CA -0.241 57.705 58.000 -0.090 0.000 1.195 804 F CB -0.523 38.390 39.000 -0.144 0.000 1.056 804 F HN 0.007 nan 8.300 nan 0.000 0.562 805 S N 0.461 115.905 115.700 -0.427 0.000 2.652 805 S HA 0.722 5.192 4.470 -0.000 0.000 0.267 805 S C -0.114 174.454 174.600 -0.053 0.000 1.201 805 S CA 0.242 58.330 58.200 -0.187 0.000 0.996 805 S CB 1.125 64.278 63.200 -0.078 0.000 1.054 805 S HN 0.450 nan 8.310 nan 0.000 0.561 806 S N -0.316 115.368 115.700 -0.026 0.000 2.678 806 S HA 0.484 4.953 4.470 -0.000 0.000 0.290 806 S C -1.598 172.937 174.600 -0.108 0.000 1.047 806 S CA -0.164 58.012 58.200 -0.040 0.000 0.851 806 S CB 0.321 63.498 63.200 -0.037 0.000 1.058 806 S HN 1.369 nan 8.310 nan 0.000 0.451 807 S N 2.848 118.476 115.700 -0.120 0.000 2.607 807 S HA 0.969 5.439 4.470 -0.000 0.000 0.273 807 S C -1.216 173.269 174.600 -0.191 0.000 1.148 807 S CA -1.034 56.980 58.200 -0.309 0.000 0.833 807 S CB 1.919 64.921 63.200 -0.331 0.000 1.130 807 S HN 1.267 nan 8.310 nan 0.000 0.470 808 R N -0.407 119.904 120.500 -0.316 0.000 2.907 808 R HA 0.293 4.632 4.340 -0.000 0.000 0.246 808 R C -2.325 173.929 176.300 -0.076 0.000 1.082 808 R CA -0.786 55.285 56.100 -0.047 0.000 1.003 808 R CB -0.202 30.079 30.300 -0.031 0.000 1.261 808 R HN 0.596 nan 8.270 nan 0.000 0.474 809 W N 2.311 123.582 121.300 -0.048 0.000 2.272 809 W HA 0.380 5.040 4.660 -0.000 0.000 0.318 809 W C 0.465 176.914 176.519 -0.116 0.000 1.255 809 W CA 0.164 57.478 57.345 -0.053 0.000 1.200 809 W CB 0.873 30.314 29.460 -0.031 0.000 1.170 809 W HN 0.574 nan 8.180 nan 0.000 0.549 810 E N 0.429 120.643 120.200 0.024 0.000 2.447 810 E HA 0.427 4.777 4.350 -0.000 0.000 0.251 810 E C -1.683 174.868 176.600 -0.082 0.000 0.910 810 E CA -1.276 55.123 56.400 -0.001 0.000 0.841 810 E CB 1.559 31.258 29.700 -0.001 0.000 1.403 810 E HN 0.193 nan 8.360 nan 0.000 0.400 811 Y N -0.004 120.357 120.300 0.101 0.000 2.363 811 Y HA 0.499 5.049 4.550 -0.000 0.000 0.325 811 Y C 0.073 176.030 175.900 0.094 0.000 0.984 811 Y CA -0.465 57.698 58.100 0.105 0.000 1.248 811 Y CB 1.894 40.411 38.460 0.095 0.000 1.116 811 Y HN 0.545 nan 8.280 nan 0.000 0.470 812 G N 0.885 109.834 108.800 0.248 0.000 2.498 812 G HA2 0.503 4.463 3.960 -0.000 0.000 0.312 812 G HA3 0.503 4.463 3.960 -0.000 0.000 0.312 812 G C -1.003 173.997 174.900 0.167 0.000 1.230 812 G CA -1.100 44.102 45.100 0.171 0.000 0.968 812 G HN 0.509 nan 8.290 nan 0.000 0.481 813 S N 1.439 117.208 115.700 0.115 0.000 2.499 813 S HA 0.386 4.856 4.470 -0.000 0.000 0.275 813 S C -1.430 173.187 174.600 0.028 0.000 1.257 813 S CA -1.107 57.147 58.200 0.091 0.000 1.050 813 S CB 2.032 65.259 63.200 0.044 0.000 0.937 813 S HN 0.440 nan 8.310 nan 0.000 0.490 814 P HA 0.001 nan 4.420 nan 0.000 0.239 814 P C 0.073 177.385 177.300 0.021 0.000 1.184 814 P CA 0.533 63.656 63.100 0.038 0.000 0.760 814 P CB -0.009 31.727 31.700 0.059 0.000 0.884 815 R N 0.153 120.658 120.500 0.010 0.000 2.518 815 R HA 0.433 4.773 4.340 -0.000 0.000 0.287 815 R C -1.518 174.764 176.300 -0.029 0.000 1.135 815 R CA -0.511 55.591 56.100 0.004 0.000 0.967 815 R CB 0.818 31.137 30.300 0.032 0.000 1.212 815 R HN -0.097 nan 8.270 nan 0.000 0.422 816 L N 4.249 125.444 121.223 -0.046 0.000 2.276 816 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 816 L C -0.170 176.691 176.870 -0.016 0.000 1.024 816 L CA -0.522 54.273 54.840 -0.075 0.000 0.826 816 L CB 1.694 43.692 42.059 -0.101 0.000 1.211 816 L HN 0.607 nan 8.230 nan 0.000 0.422 817 E N 3.983 124.186 120.200 0.006 0.000 2.231 817 E HA 0.558 4.908 4.350 -0.000 0.000 0.277 817 E C -0.798 175.827 176.600 0.042 0.000 0.999 817 E CA -0.799 55.620 56.400 0.032 0.000 0.827 817 E CB 1.741 31.463 29.700 0.038 0.000 1.101 817 E HN 0.423 nan 8.360 nan 0.000 0.393 818 R N 2.286 122.820 120.500 0.056 0.000 2.510 818 R HA 0.188 4.528 4.340 -0.000 0.000 0.294 818 R C -1.556 174.805 176.300 0.101 0.000 1.056 818 R CA -0.739 55.398 56.100 0.062 0.000 0.918 818 R CB 1.187 31.506 30.300 0.031 0.000 1.187 818 R HN 0.500 nan 8.270 nan 0.000 0.437 819 Y N 3.990 124.267 120.300 -0.037 0.000 2.367 819 Y HA 0.154 4.704 4.550 -0.000 0.000 0.342 819 Y C 0.027 175.908 175.900 -0.032 0.000 0.979 819 Y CA -0.640 57.431 58.100 -0.049 0.000 1.161 819 Y CB 0.667 39.073 38.460 -0.089 0.000 1.155 819 Y HN 0.654 nan 8.280 nan 0.000 0.503 820 N N 4.582 123.046 118.700 -0.393 0.000 2.696 820 N HA -0.193 4.547 4.740 -0.000 0.000 0.256 820 N C 0.903 176.337 175.510 -0.128 0.000 1.031 820 N CA 1.232 54.101 53.050 -0.300 0.000 0.730 820 N CB -1.074 37.187 38.487 -0.376 0.000 0.894 820 N HN 1.230 nan 8.380 nan 0.000 0.544 821 G N -1.067 107.685 108.800 -0.080 0.000 2.186 821 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.266 821 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.266 821 G C 0.069 174.957 174.900 -0.020 0.000 0.982 821 G CA 0.940 46.016 45.100 -0.041 0.000 0.670 821 G HN 0.493 nan 8.290 nan 0.000 0.533 822 L N 0.975 122.193 121.223 -0.008 0.000 2.362 822 L HA 0.474 4.814 4.340 -0.000 0.000 0.271 822 L C -2.049 174.843 176.870 0.036 0.000 1.002 822 L CA -2.612 52.235 54.840 0.013 0.000 0.818 822 L CB 2.540 44.607 42.059 0.014 0.000 1.298 822 L HN -0.155 nan 8.230 nan 0.000 0.420 823 P HA 0.039 nan 4.420 nan 0.000 0.266 823 P C -0.722 176.608 177.300 0.050 0.000 1.215 823 P CA 0.330 63.458 63.100 0.046 0.000 0.763 823 P CB 1.583 33.315 31.700 0.052 0.000 0.806 824 S N 3.368 119.101 115.700 0.054 0.000 2.732 824 S HA 0.817 5.287 4.470 -0.000 0.000 0.293 824 S C -1.217 173.390 174.600 0.012 0.000 1.159 824 S CA -0.796 57.417 58.200 0.021 0.000 0.847 824 S CB 1.091 64.306 63.200 0.025 0.000 1.169 824 S HN 0.356 nan 8.310 nan 0.000 0.501 825 M N 2.199 121.774 119.600 -0.041 0.000 2.238 825 M HA 0.324 4.804 4.480 -0.000 0.000 0.278 825 M C -1.103 175.145 176.300 -0.086 0.000 1.040 825 M CA -0.331 54.953 55.300 -0.027 0.000 0.969 825 M CB 2.090 34.696 32.600 0.011 0.000 1.694 825 M HN 0.737 nan 8.290 nan 0.000 0.472 826 E N 3.869 124.024 120.200 -0.074 0.000 2.316 826 E HA 0.392 4.742 4.350 -0.000 0.000 0.275 826 E C -1.317 175.268 176.600 -0.025 0.000 1.029 826 E CA -0.099 56.244 56.400 -0.095 0.000 0.871 826 E CB 0.904 30.559 29.700 -0.075 0.000 1.022 826 E HN 0.613 nan 8.360 nan 0.000 0.418 827 I N 6.552 127.131 120.570 0.015 0.000 2.437 827 I HA 0.168 4.338 4.170 -0.000 0.000 0.279 827 I C -0.603 175.606 176.117 0.153 0.000 1.028 827 I CA -0.576 60.791 61.300 0.111 0.000 1.142 827 I CB 0.931 39.067 38.000 0.228 0.000 1.266 827 I HN 0.431 nan 8.210 nan 0.000 0.461 828 L N 6.319 127.563 121.223 0.034 0.000 2.283 828 L HA 0.569 4.909 4.340 -0.000 0.000 0.287 828 L C 0.612 177.343 176.870 -0.233 0.000 1.073 828 L CA -0.197 54.601 54.840 -0.069 0.000 0.822 828 L CB 0.657 42.657 42.059 -0.098 0.000 1.186 828 L HN 0.637 nan 8.230 nan 0.000 0.436 829 G N 2.935 111.330 108.800 -0.675 0.000 2.638 829 G HA2 0.548 4.508 3.960 -0.000 0.000 0.302 829 G HA3 0.548 4.508 3.960 -0.000 0.000 0.302 829 G C -1.292 172.603 174.900 -1.676 0.000 1.365 829 G CA -0.468 43.950 45.100 -1.137 0.000 0.987 829 G HN 0.475 nan 8.290 nan 0.000 0.495 830 Q N 0.335 119.664 119.800 -0.784 0.000 2.230 830 Q HA 0.589 4.929 4.340 -0.000 0.000 0.253 830 Q C 0.464 176.338 176.000 -0.211 0.000 0.919 830 Q CA -0.634 54.891 55.803 -0.463 0.000 0.908 830 Q CB 2.295 30.877 28.738 -0.261 0.000 1.245 830 Q HN 0.795 nan 8.270 nan 0.000 0.437 831 A N 1.668 124.469 122.820 -0.032 0.000 2.547 831 A HA 0.326 4.646 4.320 -0.000 0.000 0.233 831 A C 0.294 177.891 177.584 0.022 0.000 1.067 831 A CA 0.316 52.408 52.037 0.093 0.000 0.763 831 A CB -0.089 18.946 19.000 0.059 0.000 1.007 831 A HN 0.835 nan 8.150 nan 0.000 0.506 832 A N 3.025 125.864 122.820 0.032 0.000 2.577 832 A HA 0.329 4.649 4.320 -0.000 0.000 0.233 832 A C -0.569 177.002 177.584 -0.021 0.000 1.076 832 A CA 0.125 52.160 52.037 -0.003 0.000 0.767 832 A CB -0.327 18.668 19.000 -0.008 0.000 1.017 832 A HN 0.737 nan 8.150 nan 0.000 0.511 833 P HA -0.041 nan 4.420 nan 0.000 0.225 833 P C 1.188 178.469 177.300 -0.030 0.000 1.156 833 P CA 1.742 64.822 63.100 -0.033 0.000 0.787 833 P CB 0.148 31.828 31.700 -0.033 0.000 0.802 834 G N -0.279 108.505 108.800 -0.026 0.000 2.641 834 G HA2 0.050 4.010 3.960 -0.000 0.000 0.207 834 G HA3 0.050 4.010 3.960 -0.000 0.000 0.207 834 G C 0.953 175.837 174.900 -0.027 0.000 1.137 834 G CA 0.069 45.153 45.100 -0.025 0.000 0.824 834 G HN 0.204 nan 8.290 nan 0.000 0.547 835 K N -0.081 120.305 120.400 -0.023 0.000 2.583 835 K HA 0.571 4.891 4.320 -0.000 0.000 0.266 835 K C -0.337 176.248 176.600 -0.025 0.000 1.037 835 K CA -0.189 56.083 56.287 -0.024 0.000 0.996 835 K CB 0.782 33.270 32.500 -0.021 0.000 1.307 835 K HN 0.173 nan 8.250 nan 0.000 0.502 836 S N -1.527 114.157 115.700 -0.026 0.000 2.651 836 S HA 0.196 4.666 4.470 -0.000 0.000 0.279 836 S C 0.748 175.336 174.600 -0.020 0.000 1.148 836 S CA -0.612 57.573 58.200 -0.026 0.000 0.837 836 S CB 1.327 64.504 63.200 -0.038 0.000 1.138 836 S HN 0.641 nan 8.310 nan 0.000 0.478 837 T N 2.449 116.994 114.554 -0.016 0.000 2.270 837 T HA -0.238 4.112 4.350 -0.000 0.000 0.212 837 T C 1.848 176.504 174.700 -0.073 0.000 1.575 837 T CA 2.535 64.623 62.100 -0.019 0.000 1.106 837 T CB -1.514 67.327 68.868 -0.047 0.000 0.844 837 T HN 0.991 nan 8.240 nan 0.000 0.414 838 G N 1.179 109.920 108.800 -0.099 0.000 2.574 838 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.220 838 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.220 838 G C 1.422 176.258 174.900 -0.108 0.000 1.173 838 G CA 1.577 46.603 45.100 -0.123 0.000 0.772 838 G HN 0.713 nan 8.290 nan 0.000 0.585 839 E N 0.630 120.786 120.200 -0.073 0.000 2.058 839 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 839 E C 2.978 179.536 176.600 -0.070 0.000 0.997 839 E CA 0.855 57.218 56.400 -0.061 0.000 0.801 839 E CB -0.273 29.401 29.700 -0.043 0.000 0.746 839 E HN 0.450 nan 8.360 nan 0.000 0.450 840 A N 1.475 124.262 122.820 -0.055 0.000 1.835 840 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 840 A C 2.258 179.745 177.584 -0.161 0.000 1.199 840 A CA 1.791 53.799 52.037 -0.048 0.000 0.615 840 A CB -0.668 18.383 19.000 0.086 0.000 0.838 840 A HN 0.126 nan 8.150 nan 0.000 0.444 841 M N -0.885 118.585 119.600 -0.217 0.000 2.089 841 M HA -0.229 4.251 4.480 -0.000 0.000 0.257 841 M C 2.263 178.450 176.300 -0.188 0.000 1.071 841 M CA 2.084 57.194 55.300 -0.317 0.000 1.096 841 M CB -0.503 31.754 32.600 -0.572 0.000 1.330 841 M HN 0.566 nan 8.290 nan 0.000 0.403 842 E N 1.218 121.326 120.200 -0.153 0.000 2.038 842 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 842 E C 1.587 178.123 176.600 -0.107 0.000 1.000 842 E CA 1.358 57.700 56.400 -0.097 0.000 0.803 842 E CB -0.270 29.386 29.700 -0.073 0.000 0.750 842 E HN 0.544 nan 8.360 nan 0.000 0.448 843 L N 0.586 121.740 121.223 -0.115 0.000 2.693 843 L HA -0.008 4.332 4.340 -0.000 0.000 0.242 843 L C 2.022 178.779 176.870 -0.188 0.000 1.157 843 L CA -0.069 54.705 54.840 -0.111 0.000 0.929 843 L CB -0.099 41.912 42.059 -0.080 0.000 1.103 843 L HN 0.169 nan 8.230 nan 0.000 0.430 844 M N -1.321 118.116 119.600 -0.272 0.000 2.627 844 M HA 0.051 4.531 4.480 -0.000 0.000 0.236 844 M C 1.829 177.809 176.300 -0.533 0.000 1.483 844 M CA 0.934 55.947 55.300 -0.477 0.000 1.139 844 M CB 0.280 32.469 32.600 -0.685 0.000 1.399 844 M HN 0.164 nan 8.290 nan 0.000 0.549 845 E N 0.747 120.727 120.200 -0.367 0.000 2.072 845 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 845 E C 1.479 177.948 176.600 -0.219 0.000 0.985 845 E CA 1.424 57.586 56.400 -0.396 0.000 0.801 845 E CB -0.098 29.484 29.700 -0.196 0.000 0.750 845 E HN 0.521 nan 8.360 nan 0.000 0.452 846 Q N 0.500 120.227 119.800 -0.122 0.000 2.541 846 Q HA -0.050 4.290 4.340 -0.000 0.000 0.215 846 Q C 1.574 177.548 176.000 -0.043 0.000 0.977 846 Q CA 0.958 56.734 55.803 -0.044 0.000 0.934 846 Q CB -0.300 28.424 28.738 -0.022 0.000 0.988 846 Q HN 0.309 nan 8.270 nan 0.000 0.521 847 L N -0.590 120.566 121.223 -0.111 0.000 2.262 847 L HA 0.268 4.608 4.340 -0.000 0.000 0.197 847 L C 2.196 179.027 176.870 -0.064 0.000 1.073 847 L CA 0.641 55.432 54.840 -0.082 0.000 0.800 847 L CB -0.575 41.392 42.059 -0.153 0.000 0.987 847 L HN 0.296 nan 8.230 nan 0.000 0.470 848 A N 0.174 122.920 122.820 -0.124 0.000 2.125 848 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 848 A C 2.011 179.674 177.584 0.132 0.000 1.156 848 A CA 1.489 53.547 52.037 0.035 0.000 0.671 848 A CB -0.605 18.499 19.000 0.174 0.000 0.794 848 A HN 0.490 nan 8.150 nan 0.000 0.459 849 S N -1.250 114.511 115.700 0.102 0.000 2.859 849 S HA 0.257 4.727 4.470 -0.000 0.000 0.245 849 S C 0.615 175.263 174.600 0.080 0.000 1.008 849 S CA 0.160 58.446 58.200 0.143 0.000 1.089 849 S CB -0.199 63.088 63.200 0.145 0.000 0.798 849 S HN 0.568 nan 8.310 nan 0.000 0.477 850 K N 0.166 120.603 120.400 0.062 0.000 2.554 850 K HA 0.345 4.665 4.320 -0.000 0.000 0.211 850 K C -0.269 176.353 176.600 0.036 0.000 1.226 850 K CA -0.175 56.136 56.287 0.039 0.000 1.025 850 K CB 0.548 33.064 32.500 0.026 0.000 1.021 850 K HN 0.335 nan 8.250 nan 0.000 0.600 851 L N 3.254 124.507 121.223 0.049 0.000 2.466 851 L HA 0.266 4.606 4.340 -0.000 0.000 0.257 851 L C -1.689 175.200 176.870 0.031 0.000 1.189 851 L CA -1.899 52.965 54.840 0.040 0.000 0.813 851 L CB -0.232 41.859 42.059 0.053 0.000 1.118 851 L HN -0.046 nan 8.230 nan 0.000 0.471 852 P HA -0.025 nan 4.420 nan 0.000 0.269 852 P C -0.457 176.852 177.300 0.015 0.000 1.211 852 P CA -0.229 62.879 63.100 0.014 0.000 0.781 852 P CB 0.116 31.820 31.700 0.007 0.000 0.877 853 T N 0.729 115.289 114.554 0.010 0.000 2.934 853 T HA 0.332 4.682 4.350 -0.000 0.000 0.306 853 T C 1.398 176.100 174.700 0.004 0.000 1.042 853 T CA 1.445 63.550 62.100 0.008 0.000 1.145 853 T CB -0.110 68.760 68.868 0.005 0.000 0.982 853 T HN 0.845 nan 8.240 nan 0.000 0.544 854 G N 1.754 110.554 108.800 0.001 0.000 2.213 854 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 854 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 854 G C 0.110 175.008 174.900 -0.004 0.000 0.992 854 G CA -0.190 44.908 45.100 -0.003 0.000 0.632 854 G HN 0.789 nan 8.290 nan 0.000 0.511 855 V N 1.987 121.903 119.914 0.003 0.000 2.318 855 V HA 0.709 4.829 4.120 -0.000 0.000 0.271 855 V C 1.051 177.151 176.094 0.012 0.000 1.030 855 V CA 0.226 62.531 62.300 0.008 0.000 0.844 855 V CB 0.760 32.596 31.823 0.023 0.000 1.015 855 V HN 0.712 nan 8.190 nan 0.000 0.460 856 G N 3.721 112.505 108.800 -0.027 0.000 2.795 856 G HA2 0.784 4.744 3.960 -0.000 0.000 0.267 856 G HA3 0.784 4.744 3.960 -0.000 0.000 0.267 856 G C -1.176 173.679 174.900 -0.075 0.000 1.362 856 G CA -0.522 44.529 45.100 -0.081 0.000 1.048 856 G HN 0.747 nan 8.290 nan 0.000 0.547 857 Y N -2.426 117.765 120.300 -0.181 0.000 2.689 857 Y HA 0.786 5.336 4.550 -0.000 0.000 0.333 857 Y C -1.383 174.279 175.900 -0.396 0.000 1.190 857 Y CA -1.503 56.333 58.100 -0.441 0.000 1.063 857 Y CB 1.964 40.123 38.460 -0.502 0.000 1.294 857 Y HN 0.663 nan 8.280 nan 0.000 0.466 858 D N -0.994 119.183 120.400 -0.372 0.000 2.798 858 D HA 0.298 4.938 4.640 -0.000 0.000 0.265 858 D C -2.123 173.852 176.300 -0.543 0.000 1.223 858 D CA -0.634 53.234 54.000 -0.221 0.000 0.743 858 D CB 1.139 41.916 40.800 -0.038 0.000 1.276 858 D HN 0.589 nan 8.370 nan 0.000 0.421 870 G N 1.340 110.262 108.800 0.203 0.000 2.308 870 G HA2 0.354 4.314 3.960 -0.000 0.000 0.288 870 G HA3 0.354 4.314 3.960 -0.000 0.000 0.288 870 G C -0.376 174.601 174.900 0.129 0.000 1.722 870 G CA 0.001 45.199 45.100 0.163 0.000 0.924 870 G HN 0.614 nan 8.290 nan 0.000 0.732 871 N N 0.365 119.112 118.700 0.080 0.000 2.513 871 N HA -0.155 4.585 4.740 -0.000 0.000 0.187 871 N C 2.243 177.802 175.510 0.081 0.000 1.056 871 N CA 2.336 55.421 53.050 0.058 0.000 0.907 871 N CB 0.074 38.579 38.487 0.030 0.000 0.954 871 N HN 0.762 nan 8.380 nan 0.000 0.445 872 Q N -1.232 118.641 119.800 0.123 0.000 2.245 872 Q HA 0.122 4.462 4.340 -0.000 0.000 0.201 872 Q C 2.068 178.176 176.000 0.181 0.000 0.955 872 Q CA 0.975 56.865 55.803 0.145 0.000 0.870 872 Q CB -0.248 28.598 28.738 0.180 0.000 0.945 872 Q HN 0.267 nan 8.270 nan 0.000 0.461 873 A N 2.684 125.627 122.820 0.205 0.000 1.903 873 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 873 A C -0.172 177.504 177.584 0.153 0.000 1.191 873 A CA 1.671 53.835 52.037 0.213 0.000 0.638 873 A CB -1.662 17.404 19.000 0.110 0.000 0.823 873 A HN 0.379 nan 8.150 nan 0.000 0.451 874 P HA -0.079 nan 4.420 nan 0.000 0.220 874 P C 1.322 178.676 177.300 0.091 0.000 1.144 874 P CA 1.802 64.938 63.100 0.059 0.000 0.800 874 P CB 0.038 31.761 31.700 0.038 0.000 0.772 875 S N -1.949 113.819 115.700 0.113 0.000 2.499 875 S HA 0.147 4.617 4.470 -0.000 0.000 0.225 875 S C 1.675 176.366 174.600 0.152 0.000 1.050 875 S CA 0.082 58.345 58.200 0.105 0.000 0.928 875 S CB -0.592 62.652 63.200 0.074 0.000 0.803 875 S HN 0.072 nan 8.310 nan 0.000 0.506 876 L N 0.288 121.636 121.223 0.208 0.000 1.976 876 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 876 L C 2.168 179.153 176.870 0.192 0.000 1.071 876 L CA 1.628 56.606 54.840 0.231 0.000 0.746 876 L CB -0.751 41.466 42.059 0.264 0.000 0.890 876 L HN 0.285 nan 8.230 nan 0.000 0.432 877 Y N 0.062 120.382 120.300 0.033 0.000 2.333 877 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 877 Y C 2.580 178.488 175.900 0.014 0.000 1.144 877 Y CA 0.911 59.012 58.100 0.002 0.000 1.228 877 Y CB -0.828 37.621 38.460 -0.017 0.000 0.985 877 Y HN 0.157 nan 8.280 nan 0.000 0.542 878 A N 0.167 123.095 122.820 0.180 0.000 1.902 878 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 878 A C 2.237 179.870 177.584 0.081 0.000 1.181 878 A CA 1.746 53.843 52.037 0.101 0.000 0.623 878 A CB -1.019 18.028 19.000 0.079 0.000 0.818 878 A HN 0.464 nan 8.150 nan 0.000 0.443 879 I N -0.046 120.588 120.570 0.105 0.000 2.361 879 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 879 I C 2.352 178.524 176.117 0.091 0.000 1.133 879 I CA 1.313 62.685 61.300 0.121 0.000 1.413 879 I CB -0.213 37.918 38.000 0.219 0.000 1.073 879 I HN 0.208 nan 8.210 nan 0.000 0.424 880 S N 0.737 116.464 115.700 0.044 0.000 2.428 880 S HA 0.048 4.518 4.470 -0.000 0.000 0.230 880 S C 1.732 176.336 174.600 0.008 0.000 1.014 880 S CA 0.722 58.914 58.200 -0.013 0.000 0.957 880 S CB -0.143 62.973 63.200 -0.140 0.000 0.784 880 S HN 0.377 nan 8.310 nan 0.000 0.499 881 L N 0.863 122.100 121.223 0.024 0.000 2.675 881 L HA 0.147 4.487 4.340 -0.000 0.000 0.238 881 L C 1.192 178.070 176.870 0.014 0.000 1.155 881 L CA 0.494 55.337 54.840 0.006 0.000 0.881 881 L CB -0.453 41.605 42.059 -0.001 0.000 1.008 881 L HN 0.354 nan 8.230 nan 0.000 0.443 882 I N -2.824 117.776 120.570 0.050 0.000 3.746 882 I HA -0.045 4.125 4.170 -0.000 0.000 0.262 882 I C 2.025 178.203 176.117 0.102 0.000 1.153 882 I CA 0.132 61.482 61.300 0.083 0.000 1.395 882 I CB 0.098 38.145 38.000 0.078 0.000 1.589 882 I HN -0.221 nan 8.210 nan 0.000 0.441 883 V N 1.558 121.522 119.914 0.083 0.000 2.546 883 V HA -0.220 3.900 4.120 -0.000 0.000 0.254 883 V C 2.328 178.455 176.094 0.054 0.000 1.076 883 V CA 1.521 63.865 62.300 0.072 0.000 1.087 883 V CB -0.649 31.212 31.823 0.063 0.000 0.674 883 V HN 0.226 nan 8.190 nan 0.000 0.470 884 V N -0.880 119.064 119.914 0.049 0.000 2.231 884 V HA -0.189 3.931 4.120 -0.000 0.000 0.240 884 V C 2.110 178.233 176.094 0.049 0.000 1.039 884 V CA 2.215 64.532 62.300 0.029 0.000 0.998 884 V CB -0.742 31.087 31.823 0.010 0.000 0.639 884 V HN 0.505 nan 8.190 nan 0.000 0.451 885 F N 0.127 120.023 119.950 -0.090 0.000 2.154 885 F HA -0.212 4.315 4.527 -0.000 0.000 0.301 885 F C 2.093 177.885 175.800 -0.014 0.000 1.087 885 F CA 1.488 59.415 58.000 -0.122 0.000 1.274 885 F CB -0.209 38.670 39.000 -0.202 0.000 1.009 885 F HN -0.019 nan 8.300 nan 0.000 0.485 886 L N -0.989 120.252 121.223 0.030 0.000 2.044 886 L HA -0.236 4.104 4.340 -0.000 0.000 0.205 886 L C 2.676 179.547 176.870 0.002 0.000 1.075 886 L CA 1.545 56.392 54.840 0.012 0.000 0.747 886 L CB -1.750 40.360 42.059 0.086 0.000 0.903 886 L HN 0.260 nan 8.230 nan 0.000 0.435 887 C N -0.168 119.143 119.300 0.018 0.000 2.425 887 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 887 C C 2.148 177.169 174.990 0.051 0.000 1.280 887 C CA -0.137 58.902 59.018 0.036 0.000 1.744 887 C CB -0.819 26.937 27.740 0.028 0.000 1.989 887 C HN 0.305 nan 8.230 nan 0.000 0.491 888 L N 0.906 122.111 121.223 -0.029 0.000 2.803 888 L HA 0.181 4.521 4.340 -0.000 0.000 0.241 888 L C 1.148 178.032 176.870 0.024 0.000 1.404 888 L CA 0.404 55.199 54.840 -0.075 0.000 1.211 888 L CB -0.501 41.450 42.059 -0.179 0.000 1.585 888 L HN 0.436 nan 8.230 nan 0.000 0.430 889 A N -0.830 122.072 122.820 0.137 0.000 2.018 889 A HA 0.246 4.566 4.320 -0.000 0.000 0.165 889 A C 1.794 179.425 177.584 0.079 0.000 1.969 889 A CA 0.509 52.617 52.037 0.119 0.000 1.528 889 A CB -0.336 18.716 19.000 0.088 0.000 1.630 889 A HN 0.300 nan 8.150 nan 0.000 0.325 890 A N -0.437 122.431 122.820 0.081 0.000 2.178 890 A HA 0.294 4.614 4.320 -0.000 0.000 0.218 890 A C 1.363 178.946 177.584 -0.002 0.000 1.157 890 A CA 1.751 53.809 52.037 0.034 0.000 0.689 890 A CB -0.240 18.785 19.000 0.042 0.000 0.787 890 A HN 0.524 nan 8.150 nan 0.000 0.465 891 L N -3.508 117.720 121.223 0.007 0.000 3.500 891 L HA 0.218 4.558 4.340 -0.000 0.000 0.320 891 L C -0.419 176.139 176.870 -0.520 0.000 1.205 891 L CA 0.540 55.220 54.840 -0.266 0.000 1.117 891 L CB -0.570 41.258 42.059 -0.385 0.000 1.542 891 L HN 0.470 nan 8.230 nan 0.000 0.622 892 Y N 0.992 121.283 120.300 -0.014 0.000 2.629 892 Y HA 0.271 4.821 4.550 -0.000 0.000 0.282 892 Y C 0.726 176.629 175.900 0.004 0.000 0.994 892 Y CA -1.431 56.670 58.100 0.002 0.000 1.126 892 Y CB 0.054 38.525 38.460 0.018 0.000 1.187 892 Y HN 0.171 nan 8.280 nan 0.000 0.600 893 E N 0.503 120.730 120.200 0.045 0.000 2.406 893 E HA 0.247 4.597 4.350 -0.000 0.000 0.258 893 E C 0.495 177.071 176.600 -0.040 0.000 1.043 893 E CA 0.855 57.228 56.400 -0.046 0.000 0.929 893 E CB 0.469 30.092 29.700 -0.128 0.000 0.969 893 E HN 0.394 nan 8.360 nan 0.000 0.462 894 S N 2.237 117.932 115.700 -0.009 0.000 3.029 894 S HA -0.081 4.389 4.470 -0.000 0.000 0.146 894 S C 0.383 175.127 174.600 0.241 0.000 0.800 894 S CA -0.249 57.970 58.200 0.032 0.000 1.619 894 S CB -1.493 61.740 63.200 0.054 0.000 1.119 894 S HN 0.884 nan 8.310 nan 0.000 0.632 895 W N 1.802 123.159 121.300 0.096 0.000 3.245 895 W HA -0.369 4.291 4.660 -0.000 0.000 0.284 895 W C 1.587 178.210 176.519 0.173 0.000 1.073 895 W CA 0.748 58.227 57.345 0.223 0.000 0.611 895 W CB -1.779 27.775 29.460 0.156 0.000 2.100 895 W HN 0.741 nan 8.180 nan 0.000 1.474 896 S N -1.050 114.861 115.700 0.352 0.000 2.655 896 S HA 0.056 4.526 4.470 -0.000 0.000 0.231 896 S C 1.219 175.984 174.600 0.275 0.000 1.044 896 S CA 0.556 58.855 58.200 0.165 0.000 0.910 896 S CB -0.594 62.622 63.200 0.027 0.000 0.833 896 S HN 0.208 nan 8.310 nan 0.000 0.581 897 I N 2.989 123.704 120.570 0.242 0.000 2.208 897 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 897 I C -1.071 175.170 176.117 0.208 0.000 1.097 897 I CA 1.114 62.536 61.300 0.205 0.000 1.363 897 I CB -1.461 36.674 38.000 0.225 0.000 1.051 897 I HN 0.249 nan 8.210 nan 0.000 0.413 898 P HA -0.155 nan 4.420 nan 0.000 0.227 898 P C 0.945 178.308 177.300 0.105 0.000 1.145 898 P CA 1.499 64.686 63.100 0.144 0.000 0.769 898 P CB -0.062 31.675 31.700 0.062 0.000 0.769 899 F N -2.560 117.462 119.950 0.121 0.000 2.637 899 F HA 0.173 4.700 4.527 -0.000 0.000 0.284 899 F C 2.419 178.249 175.800 0.049 0.000 1.105 899 F CA 0.250 58.302 58.000 0.086 0.000 1.356 899 F CB -1.118 37.924 39.000 0.069 0.000 1.096 899 F HN -0.199 nan 8.300 nan 0.000 0.616 900 S N 0.582 116.426 115.700 0.240 0.000 2.492 900 S HA -0.259 4.211 4.470 -0.000 0.000 0.234 900 S C 2.336 176.995 174.600 0.098 0.000 1.050 900 S CA 2.168 60.458 58.200 0.151 0.000 1.203 900 S CB -0.983 62.295 63.200 0.129 0.000 1.161 900 S HN 0.188 nan 8.310 nan 0.000 0.417 901 V N 2.585 122.525 119.914 0.043 0.000 2.527 901 V HA -0.180 3.940 4.120 -0.000 0.000 0.255 901 V C 2.234 178.339 176.094 0.019 0.000 1.081 901 V CA 2.366 64.670 62.300 0.006 0.000 1.092 901 V CB -0.693 31.089 31.823 -0.070 0.000 0.673 901 V HN 0.595 nan 8.190 nan 0.000 0.470 902 M N -0.893 118.721 119.600 0.022 0.000 2.419 902 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 902 M C 1.856 178.195 176.300 0.065 0.000 1.073 902 M CA 1.702 57.011 55.300 0.015 0.000 1.056 902 M CB -1.053 31.535 32.600 -0.020 0.000 1.394 902 M HN 0.402 nan 8.290 nan 0.000 0.444 903 L N -1.585 119.702 121.223 0.106 0.000 2.354 903 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 903 L C 2.222 179.224 176.870 0.220 0.000 1.091 903 L CA 0.070 55.043 54.840 0.223 0.000 0.828 903 L CB -0.487 41.665 42.059 0.155 0.000 0.973 903 L HN 0.005 nan 8.230 nan 0.000 0.461 904 V N -0.308 119.679 119.914 0.121 0.000 2.568 904 V HA -0.237 3.883 4.120 -0.000 0.000 0.253 904 V C 2.510 178.622 176.094 0.030 0.000 1.072 904 V CA 1.252 63.596 62.300 0.073 0.000 1.084 904 V CB -0.708 31.132 31.823 0.028 0.000 0.676 904 V HN 0.203 nan 8.190 nan 0.000 0.469 905 V N 0.319 120.247 119.914 0.023 0.000 2.220 905 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 905 V C 0.281 176.349 176.094 -0.044 0.000 1.049 905 V CA 2.655 64.945 62.300 -0.017 0.000 1.003 905 V CB -1.942 29.872 31.823 -0.015 0.000 0.634 905 V HN 0.507 nan 8.190 nan 0.000 0.444 906 P HA -0.110 nan 4.420 nan 0.000 0.221 906 P C 1.621 178.836 177.300 -0.142 0.000 1.145 906 P CA 0.992 64.017 63.100 -0.125 0.000 0.795 906 P CB -0.050 31.543 31.700 -0.178 0.000 0.775 907 L N -0.908 120.270 121.223 -0.075 0.000 2.017 907 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 907 L C 2.535 179.375 176.870 -0.051 0.000 1.073 907 L CA 2.383 57.190 54.840 -0.056 0.000 0.745 907 L CB -1.871 40.198 42.059 0.017 0.000 0.894 907 L HN 0.013 nan 8.230 nan 0.000 0.432 908 G N -1.653 107.121 108.800 -0.044 0.000 2.408 908 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 908 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 908 G C 1.616 176.487 174.900 -0.048 0.000 1.156 908 G CA 0.698 45.775 45.100 -0.039 0.000 0.793 908 G HN 0.217 nan 8.290 nan 0.000 0.535 909 V N 1.326 121.191 119.914 -0.083 0.000 2.282 909 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 909 V C 2.621 178.683 176.094 -0.054 0.000 1.057 909 V CA 1.749 63.984 62.300 -0.108 0.000 1.032 909 V CB -0.488 31.220 31.823 -0.192 0.000 0.645 909 V HN 0.380 nan 8.190 nan 0.000 0.447 910 I N 1.283 121.815 120.570 -0.064 0.000 2.335 910 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 910 I C 2.163 178.281 176.117 0.001 0.000 1.129 910 I CA 1.782 63.061 61.300 -0.035 0.000 1.402 910 I CB -0.841 37.115 38.000 -0.073 0.000 1.069 910 I HN 0.216 nan 8.210 nan 0.000 0.424 911 G N -0.377 108.423 108.800 -0.001 0.000 2.394 911 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 911 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 911 G C 1.750 176.692 174.900 0.069 0.000 1.176 911 G CA 0.592 45.702 45.100 0.017 0.000 0.786 911 G HN 0.566 nan 8.290 nan 0.000 0.533 912 A N 0.759 123.642 122.820 0.105 0.000 1.883 912 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 912 A C 2.442 180.232 177.584 0.344 0.000 1.186 912 A CA 1.358 53.539 52.037 0.240 0.000 0.624 912 A CB -0.463 18.649 19.000 0.187 0.000 0.822 912 A HN 0.348 nan 8.150 nan 0.000 0.444 913 L N -0.914 120.481 121.223 0.287 0.000 2.017 913 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 913 L C 2.634 179.574 176.870 0.117 0.000 1.073 913 L CA 1.345 56.332 54.840 0.245 0.000 0.745 913 L CB -0.629 41.558 42.059 0.214 0.000 0.894 913 L HN 0.511 nan 8.230 nan 0.000 0.432 914 L N 0.044 121.320 121.223 0.089 0.000 1.971 914 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 914 L C 2.810 179.728 176.870 0.081 0.000 1.072 914 L CA 1.794 56.668 54.840 0.056 0.000 0.758 914 L CB -0.348 41.712 42.059 0.001 0.000 0.889 914 L HN 0.246 nan 8.230 nan 0.000 0.433 915 A N -0.257 122.603 122.820 0.068 0.000 1.892 915 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 915 A C 2.412 180.073 177.584 0.127 0.000 1.188 915 A CA 2.196 54.292 52.037 0.099 0.000 0.631 915 A CB -1.181 17.867 19.000 0.079 0.000 0.822 915 A HN 0.659 nan 8.150 nan 0.000 0.447 916 A N -0.994 121.846 122.820 0.034 0.000 1.841 916 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 916 A C 2.285 179.823 177.584 -0.077 0.000 1.199 916 A CA 2.502 54.462 52.037 -0.129 0.000 0.621 916 A CB -1.585 17.122 19.000 -0.488 0.000 0.835 916 A HN 0.457 nan 8.150 nan 0.000 0.445 917 T N -0.693 113.836 114.554 -0.042 0.000 2.897 917 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 917 T C 1.473 176.205 174.700 0.053 0.000 1.084 917 T CA 1.490 63.580 62.100 -0.017 0.000 1.123 917 T CB -0.392 68.481 68.868 0.007 0.000 0.865 917 T HN 0.427 nan 8.240 nan 0.000 0.496 918 F N 1.894 121.813 119.950 -0.051 0.000 2.039 918 F HA 0.131 4.658 4.527 -0.000 0.000 0.294 918 F C 1.828 177.605 175.800 -0.038 0.000 1.130 918 F CA 0.900 58.880 58.000 -0.034 0.000 1.189 918 F CB -0.291 38.696 39.000 -0.022 0.000 0.983 918 F HN -0.069 nan 8.300 nan 0.000 0.471 919 R N -0.651 119.806 120.500 -0.073 0.000 2.244 919 R HA 0.213 4.553 4.340 -0.000 0.000 0.111 919 R C 1.238 177.451 176.300 -0.145 0.000 0.601 919 R CA 0.612 56.605 56.100 -0.177 0.000 1.800 919 R CB -0.887 29.390 30.300 -0.038 0.000 0.620 919 R HN 0.332 nan 8.270 nan 0.000 0.671 920 G N 0.634 109.373 108.800 -0.102 0.000 3.324 920 G HA2 0.176 4.136 3.960 -0.000 0.000 0.251 920 G HA3 0.176 4.136 3.960 -0.000 0.000 0.251 920 G C 0.253 175.105 174.900 -0.081 0.000 1.072 920 G CA -0.395 44.651 45.100 -0.090 0.000 0.787 920 G HN 0.092 nan 8.290 nan 0.000 0.537 921 L N 0.438 121.607 121.223 -0.089 0.000 2.435 921 L HA 0.392 4.732 4.340 -0.000 0.000 0.258 921 L C 0.978 177.751 176.870 -0.162 0.000 1.257 921 L CA 0.876 55.649 54.840 -0.112 0.000 0.823 921 L CB 0.421 42.391 42.059 -0.148 0.000 1.111 921 L HN 0.147 nan 8.230 nan 0.000 0.543 922 T N -0.964 113.478 114.554 -0.188 0.000 2.618 922 T HA 0.227 4.577 4.350 -0.000 0.000 0.293 922 T C -0.522 174.056 174.700 -0.203 0.000 1.093 922 T CA -0.585 61.406 62.100 -0.183 0.000 1.061 922 T CB 1.085 69.901 68.868 -0.087 0.000 1.498 922 T HN 0.518 nan 8.240 nan 0.000 0.494 923 N N 2.264 120.929 118.700 -0.058 0.000 3.322 923 N HA 0.216 4.956 4.740 -0.000 0.000 0.290 923 N C -0.663 174.948 175.510 0.167 0.000 1.297 923 N CA -0.545 52.590 53.050 0.142 0.000 1.167 923 N CB -0.144 38.409 38.487 0.111 0.000 1.434 923 N HN 0.545 nan 8.380 nan 0.000 0.526 924 D N -0.619 119.878 120.400 0.163 0.000 2.340 924 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 924 D C 1.340 177.716 176.300 0.126 0.000 1.080 924 D CA -0.654 53.387 54.000 0.069 0.000 0.971 924 D CB 1.183 41.958 40.800 -0.042 0.000 1.137 924 D HN -0.065 nan 8.370 nan 0.000 0.475 925 V N 0.854 120.753 119.914 -0.024 0.000 2.363 925 V HA -0.351 3.769 4.120 -0.000 0.000 0.254 925 V C 2.124 178.404 176.094 0.308 0.000 1.074 925 V CA 1.757 64.164 62.300 0.179 0.000 1.069 925 V CB -1.079 30.671 31.823 -0.122 0.000 0.659 925 V HN 0.579 nan 8.190 nan 0.000 0.455 926 Y N -1.727 118.693 120.300 0.200 0.000 2.114 926 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 926 Y C 2.429 178.365 175.900 0.061 0.000 1.143 926 Y CA 1.546 59.734 58.100 0.146 0.000 1.135 926 Y CB -0.460 38.134 38.460 0.224 0.000 0.980 926 Y HN 0.293 nan 8.280 nan 0.000 0.499 927 F N 1.651 121.700 119.950 0.165 0.000 2.161 927 F HA -0.298 4.229 4.527 -0.000 0.000 0.300 927 F C 2.414 178.235 175.800 0.034 0.000 1.089 927 F CA 1.836 59.884 58.000 0.081 0.000 1.282 927 F CB -0.565 38.486 39.000 0.085 0.000 1.010 927 F HN 0.037 nan 8.300 nan 0.000 0.485 928 Q N 0.291 120.082 119.800 -0.015 0.000 2.050 928 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 928 Q C 2.138 177.941 176.000 -0.328 0.000 0.980 928 Q CA 2.488 58.190 55.803 -0.168 0.000 0.840 928 Q CB -0.666 28.049 28.738 -0.039 0.000 0.898 928 Q HN 0.315 nan 8.270 nan 0.000 0.424 929 V N 0.078 119.787 119.914 -0.341 0.000 2.490 929 V HA -0.176 3.944 4.120 -0.000 0.000 0.250 929 V C 2.131 177.968 176.094 -0.429 0.000 1.061 929 V CA 1.698 63.672 62.300 -0.544 0.000 1.064 929 V CB -1.306 29.926 31.823 -0.985 0.000 0.670 929 V HN 0.585 nan 8.190 nan 0.000 0.461 930 G N 0.225 108.841 108.800 -0.308 0.000 2.433 930 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 930 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 930 G C 1.557 176.302 174.900 -0.258 0.000 1.186 930 G CA 0.986 45.961 45.100 -0.209 0.000 0.779 930 G HN 0.464 nan 8.290 nan 0.000 0.543 931 L N 0.081 121.049 121.223 -0.425 0.000 2.081 931 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 931 L C 2.959 179.684 176.870 -0.242 0.000 1.080 931 L CA 0.622 55.245 54.840 -0.360 0.000 0.754 931 L CB -0.525 41.280 42.059 -0.423 0.000 0.893 931 L HN 0.210 nan 8.230 nan 0.000 0.433 932 L N -0.754 120.277 121.223 -0.321 0.000 1.970 932 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 932 L C 2.672 179.454 176.870 -0.147 0.000 1.071 932 L CA 1.895 56.481 54.840 -0.423 0.000 0.751 932 L CB -1.138 40.382 42.059 -0.898 0.000 0.889 932 L HN 0.254 nan 8.230 nan 0.000 0.432 933 T N -1.063 113.469 114.554 -0.038 0.000 2.759 933 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 933 T C 1.861 176.589 174.700 0.047 0.000 1.042 933 T CA 1.859 64.078 62.100 0.198 0.000 1.140 933 T CB -0.380 68.585 68.868 0.161 0.000 0.864 933 T HN 0.383 nan 8.240 nan 0.000 0.455 934 T N 2.390 116.930 114.554 -0.023 0.000 2.622 934 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 934 T C 1.956 176.624 174.700 -0.053 0.000 1.047 934 T CA 1.250 63.322 62.100 -0.047 0.000 1.159 934 T CB -0.528 68.299 68.868 -0.068 0.000 0.863 934 T HN 0.368 nan 8.240 nan 0.000 0.422 935 I N 1.193 121.734 120.570 -0.049 0.000 2.423 935 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 935 I C 2.729 178.832 176.117 -0.024 0.000 1.151 935 I CA 1.129 62.404 61.300 -0.041 0.000 1.421 935 I CB -0.829 37.142 38.000 -0.048 0.000 1.079 935 I HN 0.322 nan 8.210 nan 0.000 0.431 936 G N 1.435 110.249 108.800 0.023 0.000 2.524 936 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 936 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 936 G C 1.616 176.452 174.900 -0.107 0.000 1.239 936 G CA 0.433 45.523 45.100 -0.016 0.000 0.798 936 G HN 0.256 nan 8.290 nan 0.000 0.557 937 L N 0.861 121.992 121.223 -0.152 0.000 2.081 937 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 937 L C 3.226 180.003 176.870 -0.155 0.000 1.080 937 L CA 1.314 56.025 54.840 -0.215 0.000 0.754 937 L CB -0.515 41.342 42.059 -0.338 0.000 0.893 937 L HN 0.194 nan 8.230 nan 0.000 0.433 938 S N 0.039 115.672 115.700 -0.113 0.000 2.359 938 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 938 S C 2.249 176.801 174.600 -0.081 0.000 1.035 938 S CA 1.353 59.505 58.200 -0.080 0.000 1.018 938 S CB -0.400 62.767 63.200 -0.054 0.000 0.876 938 S HN 0.531 nan 8.310 nan 0.000 0.448 939 A N 1.783 124.551 122.820 -0.087 0.000 1.908 939 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 939 A C 1.994 179.508 177.584 -0.117 0.000 1.181 939 A CA 2.208 54.184 52.037 -0.100 0.000 0.627 939 A CB -0.647 18.291 19.000 -0.104 0.000 0.818 939 A HN 0.388 nan 8.150 nan 0.000 0.445 940 K N 0.702 121.026 120.400 -0.125 0.000 2.001 940 K HA -0.195 4.125 4.320 -0.000 0.000 0.214 940 K C 1.823 178.344 176.600 -0.132 0.000 1.050 940 K CA 2.197 58.404 56.287 -0.134 0.000 0.934 940 K CB -0.486 31.921 32.500 -0.155 0.000 0.718 940 K HN 0.547 nan 8.250 nan 0.000 0.443 941 N N 0.476 119.101 118.700 -0.124 0.000 2.007 941 N HA -0.227 4.513 4.740 -0.000 0.000 0.197 941 N C 1.789 177.238 175.510 -0.102 0.000 1.050 941 N CA 1.893 54.875 53.050 -0.112 0.000 0.856 941 N CB -0.904 37.529 38.487 -0.089 0.000 1.050 941 N HN 0.365 nan 8.380 nan 0.000 0.423 942 A N 1.967 124.741 122.820 -0.077 0.000 1.869 942 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 942 A C 2.448 179.999 177.584 -0.056 0.000 1.203 942 A CA 1.557 53.563 52.037 -0.051 0.000 0.638 942 A CB -1.067 17.915 19.000 -0.029 0.000 0.831 942 A HN 0.286 nan 8.150 nan 0.000 0.450 943 I N -0.321 120.195 120.570 -0.090 0.000 2.113 943 I HA -0.353 3.817 4.170 -0.000 0.000 0.242 943 I C 2.485 178.580 176.117 -0.037 0.000 1.057 943 I CA 1.775 63.028 61.300 -0.079 0.000 1.314 943 I CB -0.467 37.465 38.000 -0.114 0.000 1.022 943 I HN 0.357 nan 8.210 nan 0.000 0.408 944 L N 0.293 121.430 121.223 -0.143 0.000 2.042 944 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 944 L C 2.204 178.969 176.870 -0.175 0.000 1.076 944 L CA 1.393 56.040 54.840 -0.322 0.000 0.749 944 L CB -0.488 41.322 42.059 -0.415 0.000 0.893 944 L HN 0.264 nan 8.230 nan 0.000 0.432 945 I N -0.771 119.758 120.570 -0.068 0.000 3.528 945 I HA -0.127 4.043 4.170 -0.000 0.000 0.298 945 I C 1.292 177.494 176.117 0.141 0.000 1.281 945 I CA 0.175 61.489 61.300 0.024 0.000 1.269 945 I CB -0.120 37.812 38.000 -0.112 0.000 1.013 945 I HN 0.105 nan 8.210 nan 0.000 0.512 946 V N -0.994 118.997 119.914 0.128 0.000 3.177 946 V HA -0.014 4.106 4.120 -0.000 0.000 0.219 946 V C 2.049 178.266 176.094 0.205 0.000 1.344 946 V CA 0.324 62.730 62.300 0.178 0.000 1.324 946 V CB 0.030 31.946 31.823 0.155 0.000 1.165 946 V HN 0.138 nan 8.190 nan 0.000 0.510 947 E N 1.118 121.440 120.200 0.204 0.000 2.070 947 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 947 E C 1.942 178.694 176.600 0.253 0.000 1.004 947 E CA 2.141 58.654 56.400 0.188 0.000 0.805 947 E CB -0.397 29.379 29.700 0.127 0.000 0.744 947 E HN 0.573 nan 8.360 nan 0.000 0.451 948 F N -0.453 119.546 119.950 0.082 0.000 2.134 948 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 948 F C 2.253 178.096 175.800 0.072 0.000 1.097 948 F CA 0.477 58.516 58.000 0.064 0.000 1.264 948 F CB -0.121 38.919 39.000 0.066 0.000 1.001 948 F HN 0.199 nan 8.300 nan 0.000 0.479 949 A N -0.867 122.141 122.820 0.312 0.000 2.072 949 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 949 A C 1.823 179.500 177.584 0.155 0.000 1.156 949 A CA 0.853 53.018 52.037 0.213 0.000 0.701 949 A CB -0.226 18.909 19.000 0.225 0.000 0.816 949 A HN 0.045 nan 8.150 nan 0.000 0.458 950 K N 0.697 121.185 120.400 0.146 0.000 2.296 950 K HA -0.000 4.320 4.320 -0.000 0.000 0.200 950 K C 1.068 177.711 176.600 0.072 0.000 1.048 950 K CA 0.727 57.069 56.287 0.091 0.000 0.966 950 K CB -0.287 32.256 32.500 0.072 0.000 0.754 950 K HN 0.456 nan 8.250 nan 0.000 0.466 951 D N 0.289 120.743 120.400 0.089 0.000 2.218 951 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 951 D C 1.612 177.939 176.300 0.046 0.000 0.976 951 D CA 0.836 54.873 54.000 0.061 0.000 0.853 951 D CB 0.261 41.109 40.800 0.081 0.000 0.939 951 D HN 0.191 nan 8.370 nan 0.000 0.481 952 L N -0.129 121.133 121.223 0.065 0.000 2.307 952 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 952 L C 2.206 179.105 176.870 0.050 0.000 1.099 952 L CA 0.222 55.089 54.840 0.044 0.000 0.816 952 L CB -0.058 42.035 42.059 0.056 0.000 0.952 952 L HN -0.065 nan 8.230 nan 0.000 0.455 953 M N -0.760 118.880 119.600 0.066 0.000 2.568 953 M HA 0.002 4.482 4.480 -0.000 0.000 0.226 953 M C 0.173 176.504 176.300 0.052 0.000 1.148 953 M CA 0.574 55.917 55.300 0.072 0.000 1.007 953 M CB -0.012 32.643 32.600 0.092 0.000 1.651 953 M HN 0.179 nan 8.290 nan 0.000 0.488 954 D N -0.502 119.919 120.400 0.036 0.000 3.018 954 D HA 0.056 4.696 4.640 -0.000 0.000 0.198 954 D C 0.885 177.193 176.300 0.014 0.000 1.474 954 D CA 0.213 54.226 54.000 0.022 0.000 1.429 954 D CB 0.039 40.847 40.800 0.014 0.000 1.289 954 D HN 0.191 nan 8.370 nan 0.000 0.310 955 K N 0.528 120.933 120.400 0.010 0.000 2.515 955 K HA 0.006 4.326 4.320 -0.000 0.000 0.196 955 K C 0.755 177.355 176.600 -0.000 0.000 1.038 955 K CA 0.874 57.162 56.287 0.002 0.000 0.967 955 K CB 0.503 33.001 32.500 -0.002 0.000 0.780 955 K HN 0.174 nan 8.250 nan 0.000 0.483 956 E N -0.678 119.526 120.200 0.006 0.000 2.475 956 E HA 0.256 4.606 4.350 -0.000 0.000 0.221 956 E C -0.070 176.535 176.600 0.009 0.000 0.793 956 E CA -0.735 55.667 56.400 0.002 0.000 0.922 956 E CB 0.037 29.735 29.700 -0.002 0.000 1.778 956 E HN 0.073 nan 8.360 nan 0.000 0.392 957 G N 0.968 109.772 108.800 0.006 0.000 2.491 957 G HA2 0.009 3.969 3.960 -0.000 0.000 0.242 957 G HA3 0.009 3.969 3.960 -0.000 0.000 0.242 957 G C 0.785 175.700 174.900 0.024 0.000 1.266 957 G CA 0.198 45.303 45.100 0.008 0.000 0.844 957 G HN 0.365 nan 8.290 nan 0.000 0.571 958 K N 1.792 122.210 120.400 0.030 0.000 1.987 958 K HA -0.047 4.273 4.320 -0.000 0.000 0.216 958 K C 1.559 178.200 176.600 0.068 0.000 1.051 958 K CA 1.302 57.627 56.287 0.064 0.000 0.942 958 K CB -0.679 31.855 32.500 0.057 0.000 0.722 958 K HN 1.260 nan 8.250 nan 0.000 0.444 959 G N 2.092 110.898 108.800 0.010 0.000 2.354 959 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.278 959 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.278 959 G C 0.326 175.214 174.900 -0.020 0.000 0.953 959 G CA 0.564 45.649 45.100 -0.024 0.000 1.346 959 G HN 0.466 nan 8.290 nan 0.000 0.467 960 L N 0.850 121.979 121.223 -0.157 0.000 2.021 960 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 960 L C 2.477 179.230 176.870 -0.196 0.000 1.074 960 L CA 2.741 57.310 54.840 -0.451 0.000 0.760 960 L CB -0.009 41.569 42.059 -0.802 0.000 0.889 960 L HN 0.862 nan 8.230 nan 0.000 0.433 961 I N -6.354 114.094 120.570 -0.203 0.000 4.442 961 I HA 0.166 4.336 4.170 -0.000 0.000 0.331 961 I C 1.239 177.226 176.117 -0.216 0.000 1.364 961 I CA -0.217 60.955 61.300 -0.214 0.000 1.207 961 I CB 0.193 38.042 38.000 -0.252 0.000 1.298 961 I HN 0.062 nan 8.210 nan 0.000 0.463 962 E N 2.171 122.280 120.200 -0.150 0.000 2.201 962 E HA 0.211 4.561 4.350 -0.000 0.000 0.193 962 E C 2.323 178.872 176.600 -0.084 0.000 0.957 962 E CA 0.907 57.234 56.400 -0.123 0.000 0.858 962 E CB 0.261 29.904 29.700 -0.094 0.000 0.816 962 E HN 0.550 nan 8.360 nan 0.000 0.475 963 A N 1.799 124.594 122.820 -0.043 0.000 1.902 963 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 963 A C 2.490 180.087 177.584 0.022 0.000 1.181 963 A CA 2.154 54.196 52.037 0.008 0.000 0.623 963 A CB -1.157 17.875 19.000 0.054 0.000 0.818 963 A HN 0.378 nan 8.150 nan 0.000 0.443 964 T N -1.049 113.479 114.554 -0.043 0.000 2.622 964 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 964 T C 1.917 176.572 174.700 -0.075 0.000 1.047 964 T CA 1.479 63.532 62.100 -0.078 0.000 1.159 964 T CB -0.875 67.682 68.868 -0.518 0.000 0.863 964 T HN 0.333 nan 8.240 nan 0.000 0.422 965 L N 1.317 122.356 121.223 -0.308 0.000 2.081 965 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 965 L C 2.526 179.423 176.870 0.046 0.000 1.080 965 L CA 2.428 57.184 54.840 -0.141 0.000 0.754 965 L CB -0.636 41.304 42.059 -0.199 0.000 0.893 965 L HN 0.314 nan 8.230 nan 0.000 0.433 966 D N -0.245 120.170 120.400 0.025 0.000 2.097 966 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 966 D C 2.129 178.489 176.300 0.099 0.000 0.989 966 D CA 1.516 55.541 54.000 0.043 0.000 0.827 966 D CB 0.023 40.832 40.800 0.016 0.000 0.966 966 D HN 0.457 nan 8.370 nan 0.000 0.456 967 A N 0.541 123.458 122.820 0.162 0.000 1.849 967 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 967 A C 2.626 180.359 177.584 0.248 0.000 1.202 967 A CA 2.331 54.499 52.037 0.218 0.000 0.629 967 A CB -1.356 17.836 19.000 0.321 0.000 0.834 967 A HN 0.241 nan 8.150 nan 0.000 0.447 968 V N 0.440 120.560 119.914 0.343 0.000 2.469 968 V HA -0.214 3.906 4.120 -0.000 0.000 0.251 968 V C 2.595 178.825 176.094 0.226 0.000 1.064 968 V CA 2.422 64.884 62.300 0.271 0.000 1.066 968 V CB -0.813 31.190 31.823 0.301 0.000 0.667 968 V HN 0.627 nan 8.190 nan 0.000 0.461 969 R N 1.079 121.684 120.500 0.174 0.000 2.159 969 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 969 R C 1.289 177.623 176.300 0.056 0.000 1.131 969 R CA 1.991 58.150 56.100 0.098 0.000 0.982 969 R CB -0.343 29.988 30.300 0.052 0.000 0.868 969 R HN 0.744 nan 8.270 nan 0.000 0.453 970 M N -1.499 118.140 119.600 0.067 0.000 3.189 970 M HA 0.397 4.877 4.480 -0.000 0.000 0.365 970 M C 0.368 176.720 176.300 0.085 0.000 1.447 970 M CA -0.229 55.086 55.300 0.025 0.000 0.739 970 M CB 1.374 33.960 32.600 -0.022 0.000 1.411 970 M HN -0.210 nan 8.290 nan 0.000 0.494 971 R N 0.498 121.071 120.500 0.121 0.000 2.371 971 R HA 0.133 4.473 4.340 -0.000 0.000 0.261 971 R C 0.476 176.825 176.300 0.081 0.000 0.768 971 R CA 0.095 56.304 56.100 0.180 0.000 0.992 971 R CB 0.349 30.834 30.300 0.309 0.000 1.687 971 R HN 0.600 nan 8.270 nan 0.000 0.463 972 L N 1.750 122.997 121.223 0.040 0.000 2.109 972 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 972 L C 2.171 178.995 176.870 -0.077 0.000 1.086 972 L CA 1.796 56.598 54.840 -0.063 0.000 0.760 972 L CB -0.763 41.201 42.059 -0.158 0.000 0.910 972 L HN 0.259 nan 8.230 nan 0.000 0.437 973 R N 0.234 120.707 120.500 -0.046 0.000 2.115 973 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 973 R C -0.363 175.978 176.300 0.069 0.000 1.133 973 R CA 2.419 58.531 56.100 0.020 0.000 0.935 973 R CB -1.298 29.000 30.300 -0.004 0.000 0.853 973 R HN 0.279 nan 8.270 nan 0.000 0.433 974 P HA -0.200 nan 4.420 nan 0.000 0.213 974 P C 1.318 178.590 177.300 -0.047 0.000 1.170 974 P CA 1.337 64.440 63.100 0.005 0.000 0.902 974 P CB -0.160 31.550 31.700 0.017 0.000 0.789 975 I N -1.468 119.069 120.570 -0.055 0.000 2.065 975 I HA -0.258 3.912 4.170 -0.000 0.000 0.236 975 I C 2.216 178.281 176.117 -0.087 0.000 1.028 975 I CA 1.996 63.248 61.300 -0.079 0.000 1.299 975 I CB -1.927 36.025 38.000 -0.080 0.000 1.015 975 I HN -0.053 nan 8.210 nan 0.000 0.396 976 L N -0.616 120.560 121.223 -0.079 0.000 2.191 976 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 976 L C 2.558 179.337 176.870 -0.151 0.000 1.103 976 L CA 1.374 56.170 54.840 -0.074 0.000 0.769 976 L CB -0.825 41.212 42.059 -0.036 0.000 0.908 976 L HN 0.290 nan 8.230 nan 0.000 0.438 977 M N -1.110 118.372 119.600 -0.196 0.000 2.066 977 M HA -0.240 4.240 4.480 -0.000 0.000 0.259 977 M C 2.209 178.284 176.300 -0.375 0.000 1.074 977 M CA 2.204 57.185 55.300 -0.530 0.000 1.114 977 M CB -0.257 32.152 32.600 -0.319 0.000 1.306 977 M HN 0.208 nan 8.290 nan 0.000 0.411 978 T N -0.034 114.397 114.554 -0.206 0.000 2.622 978 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 978 T C 1.886 176.540 174.700 -0.077 0.000 1.047 978 T CA 1.991 64.012 62.100 -0.133 0.000 1.159 978 T CB -0.609 68.189 68.868 -0.117 0.000 0.863 978 T HN 0.566 nan 8.240 nan 0.000 0.422 979 S N 0.816 116.469 115.700 -0.077 0.000 2.380 979 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 979 S C 2.005 176.613 174.600 0.014 0.000 1.043 979 S CA 1.411 59.606 58.200 -0.008 0.000 1.038 979 S CB -0.549 62.631 63.200 -0.033 0.000 0.872 979 S HN 0.326 nan 8.310 nan 0.000 0.456 980 L N 1.538 122.711 121.223 -0.083 0.000 2.056 980 L HA 0.146 4.486 4.340 -0.000 0.000 0.207 980 L C 2.482 179.296 176.870 -0.093 0.000 1.078 980 L CA 2.164 56.940 54.840 -0.106 0.000 0.749 980 L CB -1.213 40.723 42.059 -0.205 0.000 0.901 980 L HN 0.324 nan 8.230 nan 0.000 0.433 981 A N -1.408 121.345 122.820 -0.111 0.000 1.968 981 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 981 A C 2.201 179.788 177.584 0.005 0.000 1.169 981 A CA 1.469 53.462 52.037 -0.074 0.000 0.638 981 A CB -0.996 17.950 19.000 -0.090 0.000 0.812 981 A HN 0.521 nan 8.150 nan 0.000 0.446 982 F N 0.796 120.684 119.950 -0.103 0.000 2.113 982 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 982 F C 1.749 177.507 175.800 -0.069 0.000 1.103 982 F CA 1.360 59.312 58.000 -0.080 0.000 1.248 982 F CB -0.177 38.777 39.000 -0.076 0.000 0.999 982 F HN 0.140 nan 8.300 nan 0.000 0.475 983 I N 0.335 120.889 120.570 -0.027 0.000 3.241 983 I HA -0.229 3.941 4.170 -0.000 0.000 0.280 983 I C 1.651 177.681 176.117 -0.144 0.000 1.320 983 I CA 0.615 61.849 61.300 -0.110 0.000 1.413 983 I CB -0.452 37.542 38.000 -0.010 0.000 1.060 983 I HN 0.276 nan 8.210 nan 0.000 0.500 984 L N -0.323 120.814 121.223 -0.144 0.000 2.357 984 L HA 0.170 4.510 4.340 -0.000 0.000 0.211 984 L C 2.540 179.325 176.870 -0.141 0.000 1.075 984 L CA 0.704 55.472 54.840 -0.119 0.000 0.830 984 L CB -0.541 41.467 42.059 -0.084 0.000 0.996 984 L HN 0.240 nan 8.230 nan 0.000 0.467 985 G N -0.202 108.484 108.800 -0.189 0.000 2.396 985 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 985 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 985 G C 1.453 176.218 174.900 -0.224 0.000 1.166 985 G CA 0.428 45.418 45.100 -0.183 0.000 0.793 985 G HN 0.124 nan 8.290 nan 0.000 0.533 986 V N 1.293 121.009 119.914 -0.330 0.000 3.078 986 V HA -0.140 3.980 4.120 -0.000 0.000 0.265 986 V C 2.524 178.496 176.094 -0.204 0.000 1.122 986 V CA 1.662 63.773 62.300 -0.316 0.000 1.141 986 V CB -0.370 31.189 31.823 -0.440 0.000 0.735 986 V HN 0.483 nan 8.190 nan 0.000 0.498 987 M N 0.800 120.299 119.600 -0.169 0.000 2.059 987 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 987 M C -0.368 175.873 176.300 -0.098 0.000 1.072 987 M CA 2.394 57.627 55.300 -0.112 0.000 1.117 987 M CB -0.941 31.605 32.600 -0.091 0.000 1.320 987 M HN 0.209 nan 8.290 nan 0.000 0.408 988 P HA -0.133 nan 4.420 nan 0.000 0.219 988 P C 1.372 178.611 177.300 -0.102 0.000 1.146 988 P CA 1.238 64.285 63.100 -0.088 0.000 0.808 988 P CB -0.124 31.522 31.700 -0.090 0.000 0.779 989 L N -1.420 119.723 121.223 -0.133 0.000 1.973 989 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 989 L C 2.357 179.152 176.870 -0.124 0.000 1.073 989 L CA 1.421 56.165 54.840 -0.159 0.000 0.746 989 L CB -1.357 40.573 42.059 -0.215 0.000 0.891 989 L HN -0.162 nan 8.230 nan 0.000 0.433 990 V N 0.307 120.156 119.914 -0.110 0.000 2.250 990 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 990 V C 1.555 177.624 176.094 -0.042 0.000 1.060 990 V CA 1.691 63.950 62.300 -0.067 0.000 1.030 990 V CB -0.375 31.416 31.823 -0.053 0.000 0.643 990 V HN 0.245 nan 8.190 nan 0.000 0.445 991 I N -2.605 117.940 120.570 -0.042 0.000 4.317 991 I HA 0.415 4.585 4.170 -0.000 0.000 0.230 991 I C 1.653 177.751 176.117 -0.031 0.000 1.377 991 I CA 0.113 61.398 61.300 -0.025 0.000 1.268 991 I CB 0.713 38.703 38.000 -0.017 0.000 1.507 991 I HN 0.258 nan 8.210 nan 0.000 0.552 992 S N -0.163 115.525 115.700 -0.021 0.000 4.157 992 S HA -0.255 4.215 4.470 -0.000 0.000 0.552 992 S C 0.522 175.112 174.600 -0.016 0.000 1.867 992 S CA 1.610 59.798 58.200 -0.021 0.000 4.248 992 S CB -2.255 60.925 63.200 -0.035 0.000 0.222 992 S HN 0.967 nan 8.310 nan 0.000 0.457 993 T N 1.161 115.698 114.554 -0.028 0.000 2.800 993 T HA 0.420 4.770 4.350 -0.000 0.000 0.283 993 T C 0.670 175.366 174.700 -0.007 0.000 0.999 993 T CA 0.435 62.521 62.100 -0.023 0.000 1.176 993 T CB 0.844 69.687 68.868 -0.042 0.000 0.973 993 T HN 1.352 nan 8.240 nan 0.000 0.519 994 G N 0.789 109.595 108.800 0.010 0.000 4.299 994 G HA2 0.597 4.557 3.960 -0.000 0.000 0.290 994 G HA3 0.597 4.557 3.960 -0.000 0.000 0.290 994 G C 0.490 175.419 174.900 0.049 0.000 1.019 994 G CA 0.098 45.215 45.100 0.027 0.000 0.790 994 G HN 1.106 nan 8.290 nan 0.000 0.452 995 A N -0.776 122.072 122.820 0.045 0.000 1.570 995 A HA 0.499 4.819 4.320 -0.000 0.000 0.212 995 A C 2.181 179.774 177.584 0.015 0.000 1.855 995 A CA 1.489 53.576 52.037 0.084 0.000 1.415 995 A CB -0.731 18.348 19.000 0.131 0.000 1.376 995 A HN 0.636 nan 8.150 nan 0.000 0.370 996 G N -0.169 108.569 108.800 -0.103 0.000 2.503 996 G HA2 0.110 4.070 3.960 -0.000 0.000 0.221 996 G HA3 0.110 4.070 3.960 -0.000 0.000 0.221 996 G C 0.652 175.477 174.900 -0.126 0.000 1.131 996 G CA 1.820 46.748 45.100 -0.287 0.000 0.756 996 G HN 1.447 nan 8.290 nan 0.000 0.572 997 S N -1.812 113.892 115.700 0.006 0.000 2.481 997 S HA 0.440 4.910 4.470 -0.000 0.000 0.262 997 S C 0.799 175.478 174.600 0.133 0.000 1.061 997 S CA 0.397 58.670 58.200 0.123 0.000 1.039 997 S CB 0.593 63.869 63.200 0.126 0.000 1.170 997 S HN 0.519 nan 8.310 nan 0.000 0.437 998 G N 2.594 111.492 108.800 0.163 0.000 2.625 998 G HA2 0.168 4.128 3.960 -0.000 0.000 0.214 998 G HA3 0.168 4.128 3.960 -0.000 0.000 0.214 998 G C 1.437 176.448 174.900 0.185 0.000 1.132 998 G CA 0.757 45.940 45.100 0.138 0.000 0.782 998 G HN 0.993 nan 8.290 nan 0.000 0.538 999 A N 0.878 123.875 122.820 0.294 0.000 1.877 999 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 999 A C 2.292 179.920 177.584 0.074 0.000 1.186 999 A CA 1.834 54.151 52.037 0.467 0.000 0.620 999 A CB -0.437 19.038 19.000 0.793 0.000 0.822 999 A HN 0.439 nan 8.150 nan 0.000 0.443 1000 Q N -0.336 119.404 119.800 -0.101 0.000 2.152 1000 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 1000 Q C 1.904 177.783 176.000 -0.201 0.000 0.985 1000 Q CA 1.773 57.352 55.803 -0.373 0.000 0.863 1000 Q CB -0.373 28.228 28.738 -0.229 0.000 0.904 1000 Q HN 0.762 nan 8.270 nan 0.000 0.422 1001 N N 0.770 119.436 118.700 -0.056 0.000 2.120 1001 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 1001 N C 1.629 177.149 175.510 0.017 0.000 1.024 1001 N CA 1.436 54.477 53.050 -0.015 0.000 0.852 1001 N CB -0.401 38.099 38.487 0.022 0.000 1.003 1001 N HN 0.283 nan 8.380 nan 0.000 0.424 1002 A N 0.638 123.510 122.820 0.088 0.000 1.851 1002 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 1002 A C 2.383 180.054 177.584 0.145 0.000 1.195 1002 A CA 1.748 53.889 52.037 0.175 0.000 0.622 1002 A CB -1.100 18.135 19.000 0.391 0.000 0.831 1002 A HN 0.091 nan 8.150 nan 0.000 0.444 1003 V N -0.027 119.899 119.914 0.019 0.000 2.214 1003 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 1003 V C 2.853 178.908 176.094 -0.065 0.000 1.047 1003 V CA 2.157 64.409 62.300 -0.080 0.000 0.998 1003 V CB -1.814 29.776 31.823 -0.387 0.000 0.633 1003 V HN 0.648 nan 8.190 nan 0.000 0.446 1004 G N -0.224 108.490 108.800 -0.144 0.000 2.679 1004 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 1004 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 1004 G C 1.661 176.541 174.900 -0.034 0.000 1.267 1004 G CA 2.019 47.049 45.100 -0.118 0.000 0.799 1004 G HN 0.451 nan 8.290 nan 0.000 0.606 1005 T N 1.089 115.639 114.554 -0.006 0.000 2.649 1005 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 1005 T C 2.408 177.164 174.700 0.093 0.000 1.036 1005 T CA 1.949 64.071 62.100 0.037 0.000 1.157 1005 T CB -0.838 68.053 68.868 0.039 0.000 0.861 1005 T HN 0.463 nan 8.240 nan 0.000 0.445 1006 G N 0.288 109.180 108.800 0.154 0.000 2.448 1006 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 1006 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 1006 G C 1.598 176.637 174.900 0.231 0.000 1.127 1006 G CA 0.917 46.220 45.100 0.337 0.000 0.766 1006 G HN 0.477 nan 8.290 nan 0.000 0.552 1007 V N 0.606 120.592 119.914 0.121 0.000 2.341 1007 V HA -0.027 4.093 4.120 -0.000 0.000 0.240 1007 V C 2.531 178.690 176.094 0.108 0.000 1.035 1007 V CA 1.629 63.994 62.300 0.107 0.000 1.033 1007 V CB -0.544 31.329 31.823 0.084 0.000 0.678 1007 V HN 0.425 nan 8.190 nan 0.000 0.464 1008 M N 0.961 120.591 119.600 0.050 0.000 2.204 1008 M HA -0.259 4.221 4.480 -0.000 0.000 0.255 1008 M C 2.079 178.412 176.300 0.054 0.000 1.073 1008 M CA 2.895 58.216 55.300 0.034 0.000 1.084 1008 M CB -0.922 31.674 32.600 -0.006 0.000 1.289 1008 M HN 0.420 nan 8.290 nan 0.000 0.419 1009 G N -1.158 107.676 108.800 0.056 0.000 2.513 1009 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 1009 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 1009 G C 1.392 176.323 174.900 0.052 0.000 1.160 1009 G CA 1.180 46.308 45.100 0.046 0.000 0.767 1009 G HN 0.680 nan 8.290 nan 0.000 0.571 1010 G N 0.272 109.119 108.800 0.077 0.000 2.446 1010 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 1010 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 1010 G C 1.852 176.777 174.900 0.042 0.000 1.168 1010 G CA 1.298 46.429 45.100 0.053 0.000 0.771 1010 G HN 0.276 nan 8.290 nan 0.000 0.551 1011 M N 0.249 119.895 119.600 0.077 0.000 2.067 1011 M HA -0.032 4.448 4.480 -0.000 0.000 0.260 1011 M C 2.884 179.214 176.300 0.050 0.000 1.069 1011 M CA 0.808 56.154 55.300 0.078 0.000 1.117 1011 M CB -1.165 31.550 32.600 0.191 0.000 1.334 1011 M HN 0.126 nan 8.290 nan 0.000 0.407 1012 V N 0.178 120.119 119.914 0.046 0.000 2.252 1012 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 1012 V C 1.679 177.785 176.094 0.020 0.000 1.056 1012 V CA 2.144 64.459 62.300 0.025 0.000 1.022 1012 V CB -1.313 30.513 31.823 0.004 0.000 0.641 1012 V HN 0.457 nan 8.190 nan 0.000 0.445 1013 T N -0.377 114.182 114.554 0.009 0.000 3.393 1013 T HA 0.484 4.834 4.350 -0.000 0.000 0.248 1013 T C 0.937 175.640 174.700 0.006 0.000 0.992 1013 T CA 0.696 62.795 62.100 -0.000 0.000 0.929 1013 T CB 0.091 68.948 68.868 -0.019 0.000 1.065 1013 T HN 0.533 nan 8.240 nan 0.000 0.597 1014 A N 1.507 124.337 122.820 0.018 0.000 2.008 1014 A HA 0.183 4.503 4.320 -0.000 0.000 0.201 1014 A C 2.373 179.975 177.584 0.029 0.000 1.794 1014 A CA 0.663 52.706 52.037 0.011 0.000 0.952 1014 A CB -0.637 18.360 19.000 -0.007 0.000 1.147 1014 A HN 0.490 nan 8.150 nan 0.000 0.589 1015 T N -1.780 112.790 114.554 0.027 0.000 2.698 1015 T HA -0.026 4.324 4.350 -0.000 0.000 0.260 1015 T C 0.928 175.687 174.700 0.099 0.000 1.044 1015 T CA 1.377 63.499 62.100 0.036 0.000 1.149 1015 T CB -1.043 67.829 68.868 0.006 0.000 0.864 1015 T HN 0.135 nan 8.240 nan 0.000 0.419 1016 V N 2.847 122.824 119.914 0.105 0.000 1.909 1016 V HA 0.331 4.451 4.120 -0.000 0.000 0.253 1016 V C 0.774 176.987 176.094 0.199 0.000 1.734 1016 V CA 0.568 62.975 62.300 0.178 0.000 1.661 1016 V CB -1.013 30.888 31.823 0.130 0.000 1.552 1016 V HN 0.561 nan 8.190 nan 0.000 0.506 1017 L N 1.442 122.815 121.223 0.251 0.000 1.238 1017 L HA 0.246 4.586 4.340 -0.000 0.000 0.075 1017 L C 1.809 178.836 176.870 0.261 0.000 1.460 1017 L CA 1.548 56.524 54.840 0.227 0.000 1.156 1017 L CB -0.729 41.381 42.059 0.086 0.000 2.371 1017 L HN 0.179 nan 8.230 nan 0.000 0.453 1018 A N 0.482 123.410 122.820 0.180 0.000 1.821 1018 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 1018 A C 1.999 179.693 177.584 0.183 0.000 1.214 1018 A CA 2.240 54.370 52.037 0.156 0.000 0.608 1018 A CB -1.037 18.012 19.000 0.081 0.000 0.862 1018 A HN 0.536 nan 8.150 nan 0.000 0.448 1019 I N -1.334 119.316 120.570 0.134 0.000 2.181 1019 I HA -0.260 3.910 4.170 -0.000 0.000 0.247 1019 I C 1.963 178.280 176.117 0.333 0.000 1.081 1019 I CA 1.619 62.986 61.300 0.111 0.000 1.340 1019 I CB -0.316 37.714 38.000 0.050 0.000 1.036 1019 I HN 0.497 nan 8.210 nan 0.000 0.417 1020 F N -0.868 119.241 119.950 0.266 0.000 2.150 1020 F HA -0.015 4.512 4.527 -0.000 0.000 0.273 1020 F C 1.692 177.632 175.800 0.234 0.000 1.223 1020 F CA 0.050 58.250 58.000 0.334 0.000 1.090 1020 F CB -0.325 38.840 39.000 0.275 0.000 1.013 1020 F HN -0.064 nan 8.300 nan 0.000 0.515 1021 F N 1.216 121.372 119.950 0.343 0.000 2.052 1021 F HA 0.081 4.608 4.527 -0.000 0.000 0.276 1021 F C 0.703 176.614 175.800 0.186 0.000 1.364 1021 F CA -0.109 58.018 58.000 0.212 0.000 1.127 1021 F CB -1.357 37.645 39.000 0.002 0.000 1.266 1021 F HN -0.254 nan 8.300 nan 0.000 0.560 1022 V N 2.585 122.664 119.914 0.275 0.000 3.167 1022 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 1022 V C -1.486 174.637 176.094 0.049 0.000 1.844 1022 V CA -0.477 61.847 62.300 0.040 0.000 1.697 1022 V CB -0.882 31.014 31.823 0.121 0.000 0.855 1022 V HN 0.413 nan 8.190 nan 0.000 0.453 1023 P HA -0.284 nan 4.420 nan 0.000 0.278 1023 P C 1.098 178.608 177.300 0.350 0.000 1.627 1023 P CA 2.025 65.241 63.100 0.194 0.000 1.508 1023 P CB -0.037 31.721 31.700 0.098 0.000 0.504 1024 V N -4.570 115.497 119.914 0.255 0.000 2.471 1024 V HA -0.300 3.820 4.120 -0.000 0.000 0.132 1024 V C 1.034 177.287 176.094 0.266 0.000 0.451 1024 V CA 2.209 64.617 62.300 0.179 0.000 1.274 1024 V CB -2.468 29.404 31.823 0.082 0.000 1.494 1024 V HN 0.538 nan 8.190 nan 0.000 1.012 1025 F N -3.700 116.415 119.950 0.276 0.000 1.747 1025 F HA 0.071 4.598 4.527 -0.000 0.000 0.270 1025 F C 1.477 177.405 175.800 0.215 0.000 1.166 1025 F CA 0.327 58.462 58.000 0.226 0.000 1.295 1025 F CB -0.010 39.132 39.000 0.236 0.000 1.789 1025 F HN 0.105 nan 8.300 nan 0.000 0.368 1026 F N 1.836 121.935 119.950 0.248 0.000 2.373 1026 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 1026 F C 2.182 178.037 175.800 0.091 0.000 1.080 1026 F CA 1.362 59.428 58.000 0.110 0.000 1.417 1026 F CB -1.228 37.825 39.000 0.090 0.000 1.070 1026 F HN -0.111 nan 8.300 nan 0.000 0.546 1027 V N -2.588 117.518 119.914 0.320 0.000 2.232 1027 V HA -0.202 3.918 4.120 -0.000 0.000 0.239 1027 V C 2.164 178.357 176.094 0.166 0.000 1.040 1027 V CA 1.583 64.001 62.300 0.195 0.000 0.996 1027 V CB -1.562 30.367 31.823 0.178 0.000 0.638 1027 V HN 0.076 nan 8.190 nan 0.000 0.453 1028 V N 0.620 120.646 119.914 0.186 0.000 2.428 1028 V HA -0.268 3.852 4.120 -0.000 0.000 0.255 1028 V C 2.546 178.711 176.094 0.118 0.000 1.080 1028 V CA 2.212 64.592 62.300 0.133 0.000 1.083 1028 V CB -1.013 30.917 31.823 0.178 0.000 0.665 1028 V HN 0.484 nan 8.190 nan 0.000 0.461 1029 V N 1.063 121.071 119.914 0.157 0.000 2.221 1029 V HA -0.208 3.912 4.120 -0.000 0.000 0.240 1029 V C 2.218 178.426 176.094 0.190 0.000 1.041 1029 V CA 2.222 64.639 62.300 0.194 0.000 0.991 1029 V CB -0.782 31.065 31.823 0.040 0.000 0.634 1029 V HN 0.695 nan 8.190 nan 0.000 0.450 1030 R N 0.071 120.646 120.500 0.124 0.000 2.386 1030 R HA 0.046 4.386 4.340 -0.000 0.000 0.216 1030 R C 1.500 177.833 176.300 0.054 0.000 1.119 1030 R CA 0.622 56.778 56.100 0.093 0.000 1.158 1030 R CB -0.040 30.309 30.300 0.082 0.000 1.057 1030 R HN 0.335 nan 8.270 nan 0.000 0.489 1031 R N -0.299 120.226 120.500 0.043 0.000 2.977 1031 R HA 0.097 4.437 4.340 -0.000 0.000 0.161 1031 R C 1.697 177.944 176.300 -0.088 0.000 0.805 1031 R CA 0.215 56.297 56.100 -0.029 0.000 1.044 1031 R CB -0.702 29.609 30.300 0.019 0.000 1.433 1031 R HN 0.111 nan 8.270 nan 0.000 0.570 1032 R N 0.504 120.918 120.500 -0.143 0.000 2.280 1032 R HA 0.104 4.444 4.340 -0.000 0.000 0.207 1032 R C 0.624 176.560 176.300 -0.607 0.000 1.043 1032 R CA 1.355 57.227 56.100 -0.380 0.000 1.006 1032 R CB -0.071 29.915 30.300 -0.525 0.000 0.885 1032 R HN 0.110 nan 8.270 nan 0.000 0.467 1033 F N -1.772 118.176 119.950 -0.003 0.000 2.268 1033 F HA 0.181 4.708 4.527 -0.000 0.000 0.262 1033 F C 2.062 177.850 175.800 -0.019 0.000 0.910 1033 F CA 0.753 58.745 58.000 -0.012 0.000 1.142 1033 F CB -0.971 38.017 39.000 -0.020 0.000 1.229 1033 F HN 0.041 nan 8.300 nan 0.000 0.781 1034 S N 2.401 118.214 115.700 0.189 0.000 2.430 1034 S HA -0.425 4.045 4.470 -0.000 0.000 0.536 1034 S C 1.808 176.448 174.600 0.067 0.000 0.920 1034 S CA 2.493 60.746 58.200 0.088 0.000 3.374 1034 S CB -1.253 61.967 63.200 0.033 0.000 2.344 1034 S HN 0.539 nan 8.310 nan 0.000 0.568 1035 R N 2.405 122.928 120.500 0.039 0.000 2.369 1035 R HA 0.497 4.837 4.340 -0.000 0.000 0.210 1035 R C 0.485 176.806 176.300 0.035 0.000 0.881 1035 R CA 0.364 56.482 56.100 0.030 0.000 1.031 1035 R CB -0.044 30.262 30.300 0.010 0.000 1.184 1035 R HN 0.691 nan 8.270 nan 0.000 0.581 1036 K N 0.000 120.416 120.400 0.027 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.301 56.287 0.023 0.000 0.838 1036 K CB 0.000 32.505 32.500 0.009 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543