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 1bga_1_B DATA FIRST_RESID 2 DATA SEQUENCE TIFQFPQDFM WGTATAAYQI EGAYQEDGRG LSIWDTFAHT PGKVFNGDNG DATA SEQUENCE NVACDSYHRY EEDIRLMKEL GIRTYRFSVS WPRIFPNGDG EVNQEGLDYY DATA SEQUENCE HRVVDLLNDN GIEPFCTLYH WDLPQALQDA GGWGNRRTIQ AFVQFAETMF DATA SEQUENCE REFHGKIQHW LTFNEPWCIA FLSNMLGVHA PGLTNLQTAI DVGHHLLVAH DATA SEQUENCE GLSVRRFREL GTSGQIGIAP NVSWAVPYST SEEDKAACAR TISLHSDWFL DATA SEQUENCE QPIYQGSYPQ FLVDWFAEQG ATVPIQDGDM DIIGEPIDMI GINYYSMSVN DATA SEQUENCE RFNPEAGFLQ SEEINMGLPV TDIGWPVESR GLYEVLHYLQ KYGNIDIYIT DATA SEQUENCE ENGACINDEV VNGKVQDDRR ISYMQQHLVQ VHRTIHDGLH VKGYMAWSLL DATA SEQUENCE DNFEWAEGYN MRFGMIHVDF RTQVRTPKES YYWYRNVVSN NWLETRR 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.495 174.700 -0.341 0.000 1.109 2 T CA 0.000 61.943 62.100 -0.261 0.000 1.349 2 T CB 0.000 68.637 68.868 -0.384 0.000 0.612 3 I N 2.744 123.014 120.570 -0.500 0.000 2.359 3 I HA 0.534 4.704 4.170 -0.000 0.000 0.294 3 I C -1.025 174.672 176.117 -0.701 0.000 0.987 3 I CA -0.791 60.304 61.300 -0.341 0.000 1.225 3 I CB 1.027 38.873 38.000 -0.257 0.000 1.366 3 I HN 0.570 nan 8.210 nan 0.000 0.466 4 F N 4.658 124.513 119.950 -0.157 0.000 2.430 4 F HA 0.323 4.850 4.527 -0.000 0.000 0.362 4 F C 0.223 175.905 175.800 -0.197 0.000 1.103 4 F CA -0.789 56.882 58.000 -0.549 0.000 1.045 4 F CB 1.158 39.792 39.000 -0.609 0.000 1.276 4 F HN 0.371 nan 8.300 nan 0.000 0.444 5 Q N 2.879 122.653 119.800 -0.044 0.000 2.286 5 Q HA 0.427 4.766 4.340 -0.000 0.000 0.257 5 Q C -1.369 174.769 176.000 0.229 0.000 0.941 5 Q CA 0.101 56.030 55.803 0.211 0.000 0.912 5 Q CB 0.564 29.355 28.738 0.089 0.000 1.192 5 Q HN 0.450 nan 8.270 nan 0.000 0.410 6 F N 4.516 124.658 119.950 0.320 0.000 2.408 6 F HA 0.514 5.041 4.527 -0.000 0.000 0.325 6 F C -1.672 174.234 175.800 0.177 0.000 1.082 6 F CA -2.273 55.838 58.000 0.184 0.000 1.032 6 F CB 0.890 39.917 39.000 0.045 0.000 1.259 6 F HN 0.568 nan 8.300 nan 0.000 0.503 7 P HA 0.021 nan 4.420 nan 0.000 0.268 7 P C 0.107 177.583 177.300 0.293 0.000 1.205 7 P CA -0.015 63.231 63.100 0.245 0.000 0.771 7 P CB 0.724 32.550 31.700 0.210 0.000 0.858 8 Q N 2.364 122.297 119.800 0.223 0.000 2.133 8 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 8 Q C 0.630 176.755 176.000 0.208 0.000 0.991 8 Q CA 2.124 58.051 55.803 0.206 0.000 0.867 8 Q CB -0.534 28.292 28.738 0.148 0.000 0.911 8 Q HN 0.393 nan 8.270 nan 0.000 0.417 9 D N -0.737 119.775 120.400 0.187 0.000 2.342 9 D HA 0.029 4.669 4.640 -0.000 0.000 0.221 9 D C -0.561 175.830 176.300 0.150 0.000 1.101 9 D CA -0.173 53.921 54.000 0.156 0.000 0.837 9 D CB -0.310 40.560 40.800 0.116 0.000 0.938 9 D HN 0.181 nan 8.370 nan 0.000 0.508 10 F N 1.949 121.915 119.950 0.026 0.000 2.607 10 F HA 0.002 4.529 4.527 -0.000 0.000 0.374 10 F C 0.549 176.227 175.800 -0.204 0.000 1.104 10 F CA -0.005 57.922 58.000 -0.120 0.000 1.296 10 F CB 0.509 39.403 39.000 -0.178 0.000 1.085 10 F HN -0.188 nan 8.300 nan 0.000 0.584 11 M N 7.615 126.721 119.600 -0.824 0.000 2.063 11 M HA 0.238 4.718 4.480 -0.000 0.000 0.348 11 M C -1.678 174.267 176.300 -0.592 0.000 1.180 11 M CA -0.249 54.769 55.300 -0.469 0.000 1.059 11 M CB 0.424 32.911 32.600 -0.188 0.000 1.544 11 M HN 0.648 nan 8.290 nan 0.000 0.447 12 W N 4.034 125.285 121.300 -0.082 0.000 2.417 12 W HA 0.711 5.371 4.660 -0.000 0.000 0.317 12 W C 0.337 176.885 176.519 0.047 0.000 1.121 12 W CA -0.236 57.121 57.345 0.019 0.000 1.208 12 W CB 1.777 31.205 29.460 -0.053 0.000 1.253 12 W HN 0.796 nan 8.180 nan 0.000 0.533 13 G N 0.595 109.643 108.800 0.414 0.000 2.682 13 G HA2 0.673 4.633 3.960 -0.000 0.000 0.303 13 G HA3 0.673 4.633 3.960 -0.000 0.000 0.303 13 G C -1.066 174.033 174.900 0.331 0.000 1.341 13 G CA -0.702 44.572 45.100 0.290 0.000 0.784 13 G HN 0.433 nan 8.290 nan 0.000 0.497 14 T N -3.145 111.558 114.554 0.248 0.000 2.865 14 T HA 0.911 5.261 4.350 -0.000 0.000 0.294 14 T C -0.428 174.361 174.700 0.148 0.000 1.119 14 T CA -0.064 62.146 62.100 0.184 0.000 1.007 14 T CB 1.780 70.761 68.868 0.188 0.000 1.225 14 T HN 2.154 nan 8.240 nan 0.000 0.515 15 A N 0.625 123.469 122.820 0.040 0.000 2.587 15 A HA 0.998 5.318 4.320 -0.000 0.000 0.293 15 A C -0.138 177.308 177.584 -0.229 0.000 1.087 15 A CA -0.512 51.525 52.037 0.001 0.000 0.692 15 A CB 1.500 20.630 19.000 0.215 0.000 1.291 15 A HN 1.756 nan 8.150 nan 0.000 0.407 16 T N -2.226 112.276 114.554 -0.086 0.000 2.762 16 T HA 0.883 5.233 4.350 -0.000 0.000 0.301 16 T C -0.542 174.225 174.700 0.112 0.000 1.299 16 T CA -0.137 61.894 62.100 -0.115 0.000 1.005 16 T CB 1.352 70.245 68.868 0.042 0.000 1.377 16 T HN 2.300 nan 8.240 nan 0.000 0.504 17 A N -0.196 122.646 122.820 0.037 0.000 2.414 17 A HA 0.902 5.222 4.320 -0.000 0.000 0.306 17 A C 1.227 178.796 177.584 -0.025 0.000 1.054 17 A CA -0.375 51.553 52.037 -0.182 0.000 0.724 17 A CB 1.165 19.715 19.000 -0.751 0.000 1.267 17 A HN 1.606 nan 8.150 nan 0.000 0.418 18 A N 0.950 123.828 122.820 0.097 0.000 1.859 18 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 18 A C 1.826 179.501 177.584 0.152 0.000 1.198 18 A CA 2.379 54.549 52.037 0.222 0.000 0.629 18 A CB -1.099 18.110 19.000 0.350 0.000 0.830 18 A HN 1.421 nan 8.150 nan 0.000 0.446 19 Y N 0.672 120.991 120.300 0.031 0.000 2.403 19 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 19 Y C 2.432 178.211 175.900 -0.202 0.000 1.143 19 Y CA 1.909 59.987 58.100 -0.038 0.000 1.257 19 Y CB -0.240 38.251 38.460 0.051 0.000 0.984 19 Y HN 0.486 nan 8.280 nan 0.000 0.550 20 Q N -0.663 118.927 119.800 -0.349 0.000 2.245 20 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 20 Q C 1.902 177.792 176.000 -0.183 0.000 0.955 20 Q CA 1.687 57.243 55.803 -0.412 0.000 0.870 20 Q CB 0.154 28.611 28.738 -0.468 0.000 0.945 20 Q HN 0.751 nan 8.270 nan 0.000 0.461 21 I N -3.485 117.034 120.570 -0.086 0.000 4.197 21 I HA 0.208 4.378 4.170 -0.000 0.000 0.307 21 I C 0.009 176.153 176.117 0.044 0.000 1.236 21 I CA -0.288 61.024 61.300 0.020 0.000 1.321 21 I CB 0.343 38.384 38.000 0.069 0.000 1.309 21 I HN -0.208 nan 8.210 nan 0.000 0.450 22 E N 2.847 123.080 120.200 0.054 0.000 2.376 22 E HA 0.374 4.724 4.350 -0.000 0.000 0.266 22 E C 0.020 176.609 176.600 -0.019 0.000 1.009 22 E CA 0.117 56.557 56.400 0.067 0.000 0.902 22 E CB 0.926 30.698 29.700 0.120 0.000 0.972 22 E HN 0.522 nan 8.360 nan 0.000 0.439 23 G N 1.774 110.568 108.800 -0.010 0.000 4.519 23 G HA2 0.477 4.437 3.960 -0.000 0.000 0.336 23 G HA3 0.477 4.437 3.960 -0.000 0.000 0.336 23 G C -0.236 174.652 174.900 -0.020 0.000 1.491 23 G CA -0.268 44.823 45.100 -0.015 0.000 1.008 23 G HN 0.465 nan 8.290 nan 0.000 0.515 24 A N 1.306 124.055 122.820 -0.117 0.000 3.464 24 A HA 0.391 4.711 4.320 -0.000 0.000 0.243 24 A C 0.437 177.906 177.584 -0.192 0.000 1.100 24 A CA -0.423 51.489 52.037 -0.208 0.000 0.957 24 A CB -0.644 17.965 19.000 -0.651 0.000 1.340 24 A HN 0.958 nan 8.150 nan 0.000 0.645 25 Y N -0.239 119.987 120.300 -0.123 0.000 2.384 25 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 25 Y C 1.285 177.165 175.900 -0.032 0.000 1.152 25 Y CA 2.390 60.471 58.100 -0.032 0.000 1.258 25 Y CB -0.089 38.420 38.460 0.082 0.000 0.979 25 Y HN 0.468 nan 8.280 nan 0.000 0.549 26 Q N 0.216 119.677 119.800 -0.564 0.000 2.189 26 Q HA 0.151 4.491 4.340 -0.000 0.000 0.223 26 Q C -0.166 175.669 176.000 -0.276 0.000 0.828 26 Q CA -0.178 55.332 55.803 -0.488 0.000 0.967 26 Q CB 0.745 29.112 28.738 -0.619 0.000 1.139 26 Q HN 0.524 nan 8.270 nan 0.000 0.497 27 E N 1.170 121.205 120.200 -0.276 0.000 2.349 27 E HA -0.019 4.331 4.350 -0.000 0.000 0.265 27 E C -0.560 175.919 176.600 -0.202 0.000 1.064 27 E CA -0.213 56.051 56.400 -0.227 0.000 0.886 27 E CB 0.527 30.054 29.700 -0.287 0.000 1.036 27 E HN 0.071 nan 8.360 nan 0.000 0.413 28 D N 2.447 122.800 120.400 -0.078 0.000 2.701 28 D HA -0.212 4.427 4.640 -0.000 0.000 0.235 28 D C 0.535 176.829 176.300 -0.009 0.000 1.155 28 D CA 1.467 55.464 54.000 -0.004 0.000 0.649 28 D CB -1.558 39.292 40.800 0.083 0.000 1.050 28 D HN 0.856 nan 8.370 nan 0.000 0.425 29 G N 0.016 108.796 108.800 -0.034 0.000 2.160 29 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.251 29 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.251 29 G C 0.326 175.215 174.900 -0.018 0.000 1.008 29 G CA 0.402 45.490 45.100 -0.020 0.000 0.724 29 G HN 0.677 nan 8.290 nan 0.000 0.514 30 R N 0.571 121.042 120.500 -0.049 0.000 2.442 30 R HA 0.462 4.802 4.340 -0.000 0.000 0.291 30 R C 1.074 177.365 176.300 -0.015 0.000 1.069 30 R CA 0.467 56.556 56.100 -0.019 0.000 1.022 30 R CB 0.071 30.341 30.300 -0.050 0.000 0.976 30 R HN 0.329 nan 8.270 nan 0.000 0.443 31 G N 3.686 112.496 108.800 0.016 0.000 2.504 31 G HA2 0.341 4.300 3.960 -0.000 0.000 0.288 31 G HA3 0.341 4.300 3.960 -0.000 0.000 0.288 31 G C -0.302 174.616 174.900 0.031 0.000 1.182 31 G CA -0.890 44.214 45.100 0.008 0.000 0.894 31 G HN 0.519 nan 8.290 nan 0.000 0.521 32 L N 0.749 121.994 121.223 0.036 0.000 2.439 32 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 32 L C 1.144 178.024 176.870 0.017 0.000 1.179 32 L CA -0.340 54.543 54.840 0.072 0.000 0.828 32 L CB 1.187 43.303 42.059 0.095 0.000 1.106 32 L HN 0.650 nan 8.230 nan 0.000 0.467 33 S N 1.954 117.666 115.700 0.021 0.000 2.718 33 S HA 0.412 4.882 4.470 -0.000 0.000 0.300 33 S C 1.045 175.628 174.600 -0.028 0.000 1.117 33 S CA -0.879 57.315 58.200 -0.011 0.000 1.002 33 S CB 1.315 64.530 63.200 0.026 0.000 1.092 33 S HN 0.612 nan 8.310 nan 0.000 0.542 34 I N -2.675 117.876 120.570 -0.031 0.000 2.567 34 I HA 0.011 4.181 4.170 -0.000 0.000 0.257 34 I C 1.640 177.676 176.117 -0.134 0.000 1.184 34 I CA 0.978 62.225 61.300 -0.088 0.000 1.451 34 I CB -0.396 37.528 38.000 -0.127 0.000 1.089 34 I HN 0.640 nan 8.210 nan 0.000 0.441 35 W N 2.155 123.370 121.300 -0.143 0.000 2.476 35 W HA -0.038 4.622 4.660 -0.000 0.000 0.281 35 W C 1.970 178.290 176.519 -0.331 0.000 1.230 35 W CA 1.107 58.334 57.345 -0.196 0.000 1.287 35 W CB -0.064 29.191 29.460 -0.341 0.000 1.108 35 W HN 0.158 nan 8.180 nan 0.000 0.567 36 D N -0.934 119.337 120.400 -0.214 0.000 2.097 36 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 36 D C 2.113 178.198 176.300 -0.359 0.000 0.984 36 D CA 2.255 56.071 54.000 -0.306 0.000 0.826 36 D CB -0.613 40.156 40.800 -0.052 0.000 0.973 36 D HN -0.087 nan 8.370 nan 0.000 0.460 37 T N 0.252 114.755 114.554 -0.085 0.000 2.652 37 T HA -0.204 4.145 4.350 -0.000 0.000 0.267 37 T C 1.631 176.356 174.700 0.041 0.000 1.039 37 T CA 0.879 62.988 62.100 0.015 0.000 1.153 37 T CB -0.552 68.329 68.868 0.022 0.000 0.863 37 T HN 0.080 nan 8.240 nan 0.000 0.428 38 F N 2.125 121.979 119.950 -0.160 0.000 2.069 38 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 38 F C 2.545 178.337 175.800 -0.014 0.000 1.113 38 F CA 1.080 58.977 58.000 -0.171 0.000 1.214 38 F CB -0.877 37.836 39.000 -0.479 0.000 0.978 38 F HN 0.150 nan 8.300 nan 0.000 0.474 39 A N -1.203 121.706 122.820 0.149 0.000 2.019 39 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 39 A C 1.700 179.335 177.584 0.084 0.000 1.164 39 A CA 1.656 53.792 52.037 0.166 0.000 0.644 39 A CB -1.080 18.089 19.000 0.282 0.000 0.805 39 A HN 0.570 nan 8.150 nan 0.000 0.449 40 H N -0.005 119.089 119.070 0.039 0.000 2.556 40 H HA 0.106 4.662 4.556 -0.000 0.000 0.268 40 H C -0.174 175.137 175.328 -0.029 0.000 0.996 40 H CA 0.667 56.716 56.048 0.002 0.000 1.157 40 H CB -0.432 29.341 29.762 0.018 0.000 1.355 40 H HN 0.270 nan 8.280 nan 0.000 0.597 41 T N 3.263 117.830 114.554 0.023 0.000 2.744 41 T HA 0.260 4.610 4.350 -0.000 0.000 0.291 41 T C -2.408 172.242 174.700 -0.083 0.000 0.957 41 T CA -1.529 60.541 62.100 -0.050 0.000 1.002 41 T CB 1.828 70.621 68.868 -0.126 0.000 0.919 41 T HN -0.018 nan 8.240 nan 0.000 0.468 42 P HA 0.231 nan 4.420 nan 0.000 0.264 42 P C 1.104 178.363 177.300 -0.068 0.000 1.193 42 P CA 0.847 63.919 63.100 -0.048 0.000 0.763 42 P CB 0.320 32.002 31.700 -0.031 0.000 0.810 43 G N 2.645 111.409 108.800 -0.061 0.000 2.225 43 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.254 43 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.254 43 G C 1.244 176.094 174.900 -0.084 0.000 0.988 43 G CA 0.062 45.132 45.100 -0.050 0.000 0.625 43 G HN 0.445 nan 8.290 nan 0.000 0.527 44 K N -0.224 120.051 120.400 -0.209 0.000 2.098 44 K HA 0.358 4.678 4.320 -0.000 0.000 0.203 44 K C 1.128 177.635 176.600 -0.155 0.000 1.051 44 K CA 1.031 57.059 56.287 -0.432 0.000 0.957 44 K CB 0.025 31.792 32.500 -1.223 0.000 0.738 44 K HN 0.439 nan 8.250 nan 0.000 0.447 45 V N 1.886 121.797 119.914 -0.005 0.000 2.680 45 V HA 0.219 4.339 4.120 -0.000 0.000 0.309 45 V C -0.429 175.783 176.094 0.196 0.000 1.052 45 V CA -1.286 61.146 62.300 0.221 0.000 0.908 45 V CB 1.620 33.676 31.823 0.388 0.000 1.001 45 V HN 0.128 nan 8.190 nan 0.000 0.431 46 F N 5.151 125.169 119.950 0.112 0.000 2.612 46 F HA 0.029 4.556 4.527 -0.000 0.000 0.389 46 F C 1.471 177.326 175.800 0.090 0.000 1.055 46 F CA 1.420 59.471 58.000 0.084 0.000 1.232 46 F CB -0.304 38.736 39.000 0.067 0.000 1.044 46 F HN 0.876 nan 8.300 nan 0.000 0.560 47 N N 3.620 121.835 118.700 -0.807 0.000 2.778 47 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 47 N C 0.954 176.346 175.510 -0.197 0.000 1.069 47 N CA 0.824 53.497 53.050 -0.629 0.000 0.831 47 N CB -1.290 36.708 38.487 -0.815 0.000 1.142 47 N HN 1.533 nan 8.380 nan 0.000 0.573 48 G N -0.179 108.574 108.800 -0.079 0.000 2.168 48 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 48 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 48 G C -0.122 174.833 174.900 0.092 0.000 0.997 48 G CA 0.662 45.770 45.100 0.014 0.000 0.708 48 G HN 0.655 nan 8.290 nan 0.000 0.520 49 D N 0.649 121.144 120.400 0.159 0.000 2.362 49 D HA 0.466 5.106 4.640 -0.000 0.000 0.238 49 D C 0.921 177.383 176.300 0.270 0.000 1.212 49 D CA 1.055 55.219 54.000 0.273 0.000 0.902 49 D CB 0.655 41.688 40.800 0.388 0.000 1.180 49 D HN 0.769 nan 8.370 nan 0.000 0.445 50 N N -2.939 115.785 118.700 0.040 0.000 3.106 50 N HA 0.411 5.150 4.740 -0.000 0.000 0.253 50 N C -0.049 174.924 175.510 -0.895 0.000 1.506 50 N CA -0.991 51.786 53.050 -0.455 0.000 0.876 50 N CB 0.628 39.051 38.487 -0.107 0.000 1.452 50 N HN 0.202 nan 8.380 nan 0.000 0.542 51 G N -0.994 107.142 108.800 -1.107 0.000 3.448 51 G HA2 0.041 4.001 3.960 -0.000 0.000 0.261 51 G HA3 0.041 4.001 3.960 -0.000 0.000 0.261 51 G C 0.079 174.635 174.900 -0.574 0.000 1.173 51 G CA -0.321 44.093 45.100 -1.144 0.000 0.835 51 G HN 0.500 nan 8.290 nan 0.000 0.534 52 N N 0.412 118.865 118.700 -0.413 0.000 2.094 52 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 52 N C 2.004 177.480 175.510 -0.056 0.000 1.023 52 N CA 1.392 54.230 53.050 -0.353 0.000 0.857 52 N CB 0.034 38.291 38.487 -0.384 0.000 1.013 52 N HN 0.284 nan 8.380 nan 0.000 0.426 53 V N -0.950 118.913 119.914 -0.084 0.000 3.090 53 V HA 0.383 4.503 4.120 -0.000 0.000 0.237 53 V C 1.268 177.348 176.094 -0.023 0.000 1.209 53 V CA 0.617 62.906 62.300 -0.017 0.000 1.209 53 V CB -0.404 31.413 31.823 -0.010 0.000 0.971 53 V HN 0.392 nan 8.190 nan 0.000 0.477 54 A N 0.324 123.117 122.820 -0.044 0.000 5.318 54 A HA -0.401 3.919 4.320 -0.000 0.000 0.329 54 A C 1.499 179.185 177.584 0.170 0.000 1.789 54 A CA 2.153 54.236 52.037 0.077 0.000 0.711 54 A CB -1.990 16.998 19.000 -0.021 0.000 1.398 54 A HN 0.629 nan 8.150 nan 0.000 0.392 55 C N -0.268 119.146 119.300 0.190 0.000 2.791 55 C HA 0.466 4.926 4.460 -0.000 0.000 0.270 55 C C 1.000 176.054 174.990 0.106 0.000 1.257 55 C CA 0.955 60.079 59.018 0.176 0.000 1.699 55 C CB -0.986 26.841 27.740 0.146 0.000 1.904 55 C HN 1.035 nan 8.230 nan 0.000 0.603 56 D N 0.746 121.207 120.400 0.102 0.000 2.751 56 D HA -0.166 4.474 4.640 -0.000 0.000 0.233 56 D C 1.104 177.481 176.300 0.129 0.000 1.149 56 D CA 0.907 54.983 54.000 0.126 0.000 0.682 56 D CB -1.129 39.769 40.800 0.164 0.000 1.068 56 D HN 0.417 nan 8.370 nan 0.000 0.429 57 S N -1.132 114.640 115.700 0.119 0.000 2.547 57 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 57 S C 1.317 176.041 174.600 0.207 0.000 0.980 57 S CA 0.499 58.796 58.200 0.162 0.000 0.941 57 S CB -0.208 63.096 63.200 0.172 0.000 0.763 57 S HN 0.596 nan 8.310 nan 0.000 0.532 58 Y N 1.671 121.905 120.300 -0.111 0.000 2.293 58 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 58 Y C 1.830 177.603 175.900 -0.211 0.000 1.137 58 Y CA 1.657 59.482 58.100 -0.457 0.000 1.202 58 Y CB -0.147 37.852 38.460 -0.768 0.000 0.990 58 Y HN 0.450 nan 8.280 nan 0.000 0.537 59 H N -2.188 116.989 119.070 0.179 0.000 2.729 59 H HA 0.303 4.859 4.556 -0.000 0.000 0.263 59 H C 1.307 176.637 175.328 0.003 0.000 0.961 59 H CA 0.159 56.273 56.048 0.109 0.000 1.217 59 H CB 0.364 30.182 29.762 0.093 0.000 1.447 59 H HN 0.051 nan 8.280 nan 0.000 0.496 60 R N 1.052 121.632 120.500 0.133 0.000 2.427 60 R HA 0.041 4.381 4.340 -0.000 0.000 0.262 60 R C 0.694 176.958 176.300 -0.060 0.000 0.943 60 R CA -0.075 56.020 56.100 -0.009 0.000 1.081 60 R CB -0.043 30.271 30.300 0.024 0.000 1.166 60 R HN 0.480 nan 8.270 nan 0.000 0.534 61 Y N 0.384 120.694 120.300 0.017 0.000 2.241 61 Y HA -0.148 4.402 4.550 -0.000 0.000 0.286 61 Y C 1.362 177.225 175.900 -0.061 0.000 1.166 61 Y CA 1.050 59.137 58.100 -0.021 0.000 1.203 61 Y CB -0.454 37.998 38.460 -0.013 0.000 0.977 61 Y HN 0.005 nan 8.280 nan 0.000 0.529 62 E N 0.627 120.465 120.200 -0.604 0.000 2.077 62 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 62 E C 2.133 178.624 176.600 -0.182 0.000 0.989 62 E CA 1.283 57.465 56.400 -0.363 0.000 0.800 62 E CB -0.204 29.225 29.700 -0.453 0.000 0.746 62 E HN 0.772 nan 8.360 nan 0.000 0.452 63 E N 1.131 121.229 120.200 -0.170 0.000 2.047 63 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 63 E C 1.422 177.970 176.600 -0.087 0.000 0.987 63 E CA 1.371 57.706 56.400 -0.109 0.000 0.799 63 E CB 0.099 29.742 29.700 -0.096 0.000 0.752 63 E HN 0.109 nan 8.360 nan 0.000 0.449 64 D N 0.759 121.109 120.400 -0.084 0.000 2.123 64 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 64 D C 2.078 178.308 176.300 -0.117 0.000 0.992 64 D CA 1.143 55.091 54.000 -0.087 0.000 0.833 64 D CB -0.254 40.500 40.800 -0.077 0.000 0.954 64 D HN 0.349 nan 8.370 nan 0.000 0.455 65 I N 0.465 120.963 120.570 -0.121 0.000 2.394 65 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 65 I C 2.573 178.644 176.117 -0.077 0.000 1.136 65 I CA 0.647 61.868 61.300 -0.131 0.000 1.425 65 I CB -0.126 37.821 38.000 -0.089 0.000 1.079 65 I HN -0.066 nan 8.210 nan 0.000 0.425 66 R N 1.511 121.975 120.500 -0.060 0.000 2.075 66 R HA -0.140 4.199 4.340 -0.000 0.000 0.232 66 R C 2.305 178.601 176.300 -0.006 0.000 1.126 66 R CA 1.355 57.435 56.100 -0.033 0.000 0.963 66 R CB -0.195 30.081 30.300 -0.039 0.000 0.858 66 R HN 0.283 nan 8.270 nan 0.000 0.435 67 L N 1.056 122.274 121.223 -0.007 0.000 2.046 67 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 67 L C 2.734 179.678 176.870 0.123 0.000 1.077 67 L CA 1.719 56.592 54.840 0.055 0.000 0.747 67 L CB -0.420 41.640 42.059 0.001 0.000 0.896 67 L HN 0.428 nan 8.230 nan 0.000 0.432 68 M N -1.331 118.284 119.600 0.026 0.000 2.562 68 M HA -0.076 4.403 4.480 -0.000 0.000 0.257 68 M C 1.951 178.241 176.300 -0.017 0.000 1.099 68 M CA 1.369 56.670 55.300 0.002 0.000 1.099 68 M CB -0.217 32.335 32.600 -0.080 0.000 1.427 68 M HN -0.084 nan 8.290 nan 0.000 0.489 69 K N 1.506 121.900 120.400 -0.010 0.000 2.116 69 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 69 K C 1.456 178.053 176.600 -0.004 0.000 1.052 69 K CA 1.641 57.923 56.287 -0.009 0.000 0.952 69 K CB -0.122 32.374 32.500 -0.007 0.000 0.729 69 K HN 0.578 nan 8.250 nan 0.000 0.446 70 E N -0.055 120.163 120.200 0.031 0.000 2.208 70 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 70 E C 1.508 178.093 176.600 -0.024 0.000 0.988 70 E CA 0.596 57.027 56.400 0.052 0.000 0.828 70 E CB -0.084 29.704 29.700 0.147 0.000 0.763 70 E HN 0.117 nan 8.360 nan 0.000 0.478 71 L N 0.154 121.311 121.223 -0.110 0.000 2.362 71 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 71 L C 1.348 178.047 176.870 -0.285 0.000 1.134 71 L CA 1.717 56.333 54.840 -0.372 0.000 0.807 71 L CB -0.423 41.402 42.059 -0.389 0.000 0.927 71 L HN 0.250 nan 8.230 nan 0.000 0.447 72 G N -0.399 108.304 108.800 -0.161 0.000 2.160 72 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.251 72 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.251 72 G C 0.322 175.146 174.900 -0.126 0.000 1.008 72 G CA 0.413 45.428 45.100 -0.141 0.000 0.724 72 G HN 0.311 nan 8.290 nan 0.000 0.514 73 I N -0.148 120.368 120.570 -0.089 0.000 2.779 73 I HA 0.386 4.555 4.170 -0.000 0.000 0.285 73 I C 1.742 177.898 176.117 0.066 0.000 1.134 73 I CA -0.316 60.983 61.300 -0.003 0.000 1.398 73 I CB 0.734 38.760 38.000 0.044 0.000 1.404 73 I HN 0.207 nan 8.210 nan 0.000 0.587 74 R N 1.879 122.455 120.500 0.127 0.000 2.175 74 R HA 0.137 4.476 4.340 -0.000 0.000 0.202 74 R C 0.005 176.384 176.300 0.131 0.000 1.018 74 R CA 0.862 57.035 56.100 0.123 0.000 1.029 74 R CB -0.047 30.333 30.300 0.134 0.000 0.959 74 R HN 0.797 nan 8.270 nan 0.000 0.480 75 T N -2.979 111.666 114.554 0.151 0.000 2.883 75 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 75 T C -1.544 173.311 174.700 0.258 0.000 1.117 75 T CA -0.758 61.452 62.100 0.184 0.000 1.006 75 T CB 2.068 71.023 68.868 0.145 0.000 1.191 75 T HN 0.058 nan 8.240 nan 0.000 0.508 76 Y N 0.897 121.285 120.300 0.146 0.000 2.329 76 Y HA 0.623 5.173 4.550 -0.000 0.000 0.328 76 Y C -0.411 175.644 175.900 0.259 0.000 0.992 76 Y CA -1.469 56.728 58.100 0.161 0.000 1.151 76 Y CB 1.579 40.124 38.460 0.141 0.000 1.150 76 Y HN 0.958 nan 8.280 nan 0.000 0.450 77 R N 6.850 127.237 120.500 -0.188 0.000 2.265 77 R HA 0.567 4.907 4.340 -0.000 0.000 0.319 77 R C -1.596 174.443 176.300 -0.434 0.000 1.006 77 R CA -0.338 55.623 56.100 -0.231 0.000 0.880 77 R CB 0.418 30.596 30.300 -0.203 0.000 1.077 77 R HN 0.593 nan 8.270 nan 0.000 0.454 78 F N 0.665 120.335 119.950 -0.468 0.000 2.629 78 F HA 0.609 5.136 4.527 -0.000 0.000 0.316 78 F C -0.881 174.853 175.800 -0.110 0.000 1.081 78 F CA -1.192 56.593 58.000 -0.360 0.000 0.954 78 F CB 1.299 40.056 39.000 -0.404 0.000 1.337 78 F HN 0.409 nan 8.300 nan 0.000 0.474 79 S N 0.758 116.472 115.700 0.023 0.000 2.638 79 S HA 0.839 5.309 4.470 -0.000 0.000 0.298 79 S C -1.198 173.457 174.600 0.091 0.000 1.111 79 S CA -0.660 57.535 58.200 -0.008 0.000 1.027 79 S CB 1.678 64.954 63.200 0.126 0.000 1.064 79 S HN 0.751 nan 8.310 nan 0.000 0.525 80 V N 2.305 122.216 119.914 -0.004 0.000 2.427 80 V HA 0.472 4.592 4.120 -0.000 0.000 0.286 80 V C 0.548 176.790 176.094 0.246 0.000 1.034 80 V CA -0.671 61.563 62.300 -0.111 0.000 0.893 80 V CB 1.439 33.137 31.823 -0.208 0.000 0.982 80 V HN 0.999 nan 8.190 nan 0.000 0.452 81 S N 5.247 121.175 115.700 0.381 0.000 2.416 81 S HA 0.044 4.514 4.470 -0.000 0.000 0.302 81 S C 0.741 175.568 174.600 0.380 0.000 1.120 81 S CA -0.470 57.984 58.200 0.423 0.000 1.067 81 S CB -0.204 63.276 63.200 0.465 0.000 1.057 81 S HN 0.796 nan 8.310 nan 0.000 0.518 82 W N 7.590 128.874 121.300 -0.026 0.000 2.301 82 W HA -0.070 4.590 4.660 -0.000 0.000 0.325 82 W C -1.328 175.105 176.519 -0.143 0.000 1.250 82 W CA 1.380 58.437 57.345 -0.481 0.000 1.261 82 W CB -1.754 27.361 29.460 -0.576 0.000 1.157 82 W HN 0.589 nan 8.180 nan 0.000 0.473 83 P HA -0.128 nan 4.420 nan 0.000 0.236 83 P C 1.296 178.675 177.300 0.132 0.000 1.172 83 P CA 1.426 64.568 63.100 0.069 0.000 0.759 83 P CB -0.324 31.387 31.700 0.018 0.000 0.843 84 R N -0.922 119.706 120.500 0.213 0.000 2.206 84 R HA 0.126 4.466 4.340 -0.000 0.000 0.198 84 R C 2.005 178.425 176.300 0.200 0.000 0.986 84 R CA 0.418 56.648 56.100 0.217 0.000 1.029 84 R CB 0.011 30.521 30.300 0.350 0.000 0.966 84 R HN 0.159 nan 8.270 nan 0.000 0.487 85 I N -0.543 120.158 120.570 0.217 0.000 2.429 85 I HA -0.003 4.167 4.170 -0.000 0.000 0.247 85 I C 0.314 176.255 176.117 -0.293 0.000 1.099 85 I CA 1.147 62.473 61.300 0.043 0.000 1.422 85 I CB -0.178 37.960 38.000 0.230 0.000 1.112 85 I HN -0.094 nan 8.210 nan 0.000 0.430 86 F N 1.389 121.490 119.950 0.252 0.000 2.686 86 F HA 0.383 4.910 4.527 -0.000 0.000 0.365 86 F C -1.753 174.084 175.800 0.062 0.000 1.196 86 F CA -2.053 56.057 58.000 0.182 0.000 1.198 86 F CB 0.669 39.833 39.000 0.274 0.000 1.454 86 F HN -0.171 nan 8.300 nan 0.000 0.539 87 P HA -0.237 nan 4.420 nan 0.000 0.217 87 P C 1.484 178.794 177.300 0.016 0.000 1.148 87 P CA 1.542 64.679 63.100 0.061 0.000 0.834 87 P CB 0.331 32.061 31.700 0.051 0.000 0.783 88 N N -2.090 116.641 118.700 0.052 0.000 2.395 88 N HA 0.007 4.747 4.740 -0.000 0.000 0.175 88 N C 1.380 176.844 175.510 -0.077 0.000 1.029 88 N CA 1.541 54.589 53.050 -0.004 0.000 0.897 88 N CB -0.197 38.311 38.487 0.035 0.000 0.991 88 N HN 0.120 nan 8.380 nan 0.000 0.441 89 G N -0.602 108.186 108.800 -0.020 0.000 2.308 89 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 89 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 89 G C 0.831 175.732 174.900 0.002 0.000 1.032 89 G CA 0.482 45.495 45.100 -0.146 0.000 0.623 89 G HN 0.431 nan 8.290 nan 0.000 0.506 90 D N 0.419 120.804 120.400 -0.025 0.000 2.482 90 D HA 0.295 4.934 4.640 -0.000 0.000 0.251 90 D C 2.046 178.328 176.300 -0.030 0.000 1.073 90 D CA 1.313 55.269 54.000 -0.072 0.000 0.892 90 D CB -0.221 40.546 40.800 -0.055 0.000 1.202 90 D HN 0.562 nan 8.370 nan 0.000 0.496 91 G N 1.112 109.964 108.800 0.088 0.000 2.313 91 G HA2 0.000 3.960 3.960 -0.000 0.000 0.283 91 G HA3 0.000 3.960 3.960 -0.000 0.000 0.283 91 G C 0.397 175.468 174.900 0.285 0.000 1.476 91 G CA -0.109 45.079 45.100 0.147 0.000 1.054 91 G HN 0.153 nan 8.290 nan 0.000 0.550 92 E N -0.510 119.849 120.200 0.264 0.000 2.318 92 E HA 0.301 4.650 4.350 -0.000 0.000 0.265 92 E C -0.224 176.544 176.600 0.280 0.000 1.069 92 E CA -0.714 55.857 56.400 0.285 0.000 0.893 92 E CB 1.282 31.073 29.700 0.151 0.000 1.076 92 E HN 0.122 nan 8.360 nan 0.000 0.414 93 V N 2.090 122.099 119.914 0.158 0.000 2.740 93 V HA -0.013 4.107 4.120 -0.000 0.000 0.303 93 V C 0.623 176.655 176.094 -0.104 0.000 1.054 93 V CA -0.470 61.691 62.300 -0.231 0.000 1.106 93 V CB 0.162 31.894 31.823 -0.152 0.000 0.957 93 V HN 0.661 nan 8.190 nan 0.000 0.486 94 N N 3.085 121.699 118.700 -0.144 0.000 2.500 94 N HA 0.132 4.872 4.740 -0.000 0.000 0.236 94 N C 0.717 176.241 175.510 0.023 0.000 1.022 94 N CA -0.312 52.727 53.050 -0.018 0.000 0.935 94 N CB 1.456 39.950 38.487 0.011 0.000 1.147 94 N HN 0.697 nan 8.380 nan 0.000 0.512 95 Q N 2.454 122.279 119.800 0.042 0.000 2.226 95 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 95 Q C 1.107 177.177 176.000 0.116 0.000 0.975 95 Q CA 1.638 57.486 55.803 0.076 0.000 0.866 95 Q CB 0.127 28.901 28.738 0.059 0.000 0.915 95 Q HN 0.697 nan 8.270 nan 0.000 0.440 96 E N -1.361 118.905 120.200 0.109 0.000 2.077 96 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 96 E C 1.712 178.428 176.600 0.194 0.000 0.989 96 E CA 1.329 57.811 56.400 0.136 0.000 0.800 96 E CB -0.605 29.164 29.700 0.115 0.000 0.746 96 E HN 0.532 nan 8.360 nan 0.000 0.452 97 G N 0.429 109.348 108.800 0.199 0.000 2.421 97 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.216 97 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.216 97 G C 1.513 176.643 174.900 0.384 0.000 1.171 97 G CA 0.757 46.030 45.100 0.289 0.000 0.775 97 G HN 0.194 nan 8.290 nan 0.000 0.543 98 L N 0.481 121.908 121.223 0.341 0.000 2.046 98 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 98 L C 2.573 179.704 176.870 0.436 0.000 1.077 98 L CA 1.204 56.295 54.840 0.419 0.000 0.747 98 L CB -0.382 41.864 42.059 0.311 0.000 0.896 98 L HN 0.120 nan 8.230 nan 0.000 0.432 99 D N -0.848 119.751 120.400 0.332 0.000 2.123 99 D HA -0.252 4.387 4.640 -0.000 0.000 0.196 99 D C 1.866 178.268 176.300 0.170 0.000 0.992 99 D CA 1.298 55.464 54.000 0.277 0.000 0.833 99 D CB -0.279 40.623 40.800 0.168 0.000 0.954 99 D HN 0.310 nan 8.370 nan 0.000 0.455 100 Y N 0.970 121.239 120.300 -0.051 0.000 2.097 100 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 100 Y C 2.006 177.660 175.900 -0.410 0.000 1.152 100 Y CA 1.507 59.391 58.100 -0.361 0.000 1.136 100 Y CB -0.911 37.241 38.460 -0.513 0.000 0.975 100 Y HN -0.022 nan 8.280 nan 0.000 0.498 101 Y N -0.639 119.487 120.300 -0.289 0.000 2.403 101 Y HA -0.166 4.383 4.550 -0.000 0.000 0.291 101 Y C 2.508 178.308 175.900 -0.167 0.000 1.143 101 Y CA 1.785 59.638 58.100 -0.413 0.000 1.257 101 Y CB -0.913 37.404 38.460 -0.239 0.000 0.984 101 Y HN 0.353 nan 8.280 nan 0.000 0.550 102 H N -1.029 118.189 119.070 0.247 0.000 2.395 102 H HA -0.024 4.531 4.556 -0.000 0.000 0.299 102 H C 2.216 177.547 175.328 0.004 0.000 1.070 102 H CA 1.108 57.299 56.048 0.238 0.000 1.356 102 H CB 0.140 29.966 29.762 0.108 0.000 1.401 102 H HN 0.141 nan 8.280 nan 0.000 0.524 103 R N -0.052 120.422 120.500 -0.043 0.000 2.073 103 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 103 R C 2.236 178.376 176.300 -0.268 0.000 1.134 103 R CA 1.414 57.425 56.100 -0.149 0.000 0.952 103 R CB -0.383 29.761 30.300 -0.260 0.000 0.850 103 R HN 0.146 nan 8.270 nan 0.000 0.433 104 V N 0.594 120.156 119.914 -0.587 0.000 2.237 104 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 104 V C 2.425 178.361 176.094 -0.264 0.000 1.046 104 V CA 1.763 63.740 62.300 -0.538 0.000 1.007 104 V CB -0.479 30.849 31.823 -0.825 0.000 0.638 104 V HN 0.115 nan 8.190 nan 0.000 0.445 105 V N 0.385 120.173 119.914 -0.211 0.000 2.287 105 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 105 V C 2.315 178.427 176.094 0.030 0.000 1.053 105 V CA 2.335 64.600 62.300 -0.059 0.000 1.027 105 V CB -0.795 31.070 31.823 0.071 0.000 0.646 105 V HN 0.572 nan 8.190 nan 0.000 0.447 106 D N -0.358 120.081 120.400 0.065 0.000 2.117 106 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 106 D C 1.961 178.289 176.300 0.046 0.000 0.987 106 D CA 0.993 55.037 54.000 0.074 0.000 0.829 106 D CB -0.314 40.536 40.800 0.084 0.000 0.961 106 D HN 0.262 nan 8.370 nan 0.000 0.460 107 L N 0.699 121.941 121.223 0.032 0.000 2.017 107 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 107 L C 2.305 179.187 176.870 0.019 0.000 1.073 107 L CA 1.267 56.130 54.840 0.039 0.000 0.745 107 L CB -0.800 41.306 42.059 0.079 0.000 0.894 107 L HN 0.051 nan 8.230 nan 0.000 0.432 108 L N -0.745 120.480 121.223 0.002 0.000 1.989 108 L HA -0.271 4.069 4.340 -0.000 0.000 0.211 108 L C 2.361 179.254 176.870 0.038 0.000 1.071 108 L CA 1.458 56.307 54.840 0.014 0.000 0.749 108 L CB -0.818 41.260 42.059 0.031 0.000 0.890 108 L HN 0.348 nan 8.230 nan 0.000 0.431 109 N N 0.000 118.728 118.700 0.045 0.000 2.104 109 N HA -0.198 4.541 4.740 -0.000 0.000 0.190 109 N C 1.459 176.994 175.510 0.042 0.000 1.024 109 N CA 1.487 54.568 53.050 0.051 0.000 0.853 109 N CB -0.450 38.072 38.487 0.057 0.000 1.008 109 N HN 0.314 nan 8.380 nan 0.000 0.424 110 D N 0.613 121.035 120.400 0.037 0.000 2.178 110 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 110 D C 0.850 177.166 176.300 0.026 0.000 0.980 110 D CA 0.765 54.783 54.000 0.030 0.000 0.842 110 D CB -0.274 40.543 40.800 0.028 0.000 0.948 110 D HN 0.290 nan 8.370 nan 0.000 0.472 111 N N -0.225 118.490 118.700 0.025 0.000 2.268 111 N HA 0.087 4.827 4.740 -0.000 0.000 0.204 111 N C 0.924 176.451 175.510 0.028 0.000 1.124 111 N CA 0.481 53.543 53.050 0.020 0.000 0.838 111 N CB 1.131 39.623 38.487 0.009 0.000 0.994 111 N HN 0.129 nan 8.380 nan 0.000 0.489 112 G N 1.475 110.298 108.800 0.038 0.000 2.179 112 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 112 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 112 G C 0.015 174.952 174.900 0.062 0.000 1.010 112 G CA 0.052 45.181 45.100 0.048 0.000 0.736 112 G HN 0.355 nan 8.290 nan 0.000 0.513 113 I N 0.696 121.306 120.570 0.067 0.000 2.339 113 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 113 I C 0.367 176.557 176.117 0.122 0.000 0.994 113 I CA -0.682 60.674 61.300 0.093 0.000 1.191 113 I CB 1.268 39.317 38.000 0.082 0.000 1.343 113 I HN 0.099 nan 8.210 nan 0.000 0.458 114 E N 7.931 128.218 120.200 0.145 0.000 2.257 114 E HA 0.199 4.549 4.350 -0.000 0.000 0.278 114 E C -2.338 174.389 176.600 0.211 0.000 1.049 114 E CA -1.713 54.788 56.400 0.168 0.000 0.876 114 E CB 0.306 30.127 29.700 0.201 0.000 1.035 114 E HN 0.265 nan 8.360 nan 0.000 0.419 115 P HA 0.011 nan 4.420 nan 0.000 0.271 115 P C -1.095 176.287 177.300 0.137 0.000 1.216 115 P CA 0.051 63.306 63.100 0.260 0.000 0.771 115 P CB 0.327 32.155 31.700 0.213 0.000 0.864 116 F N 3.545 123.461 119.950 -0.057 0.000 2.434 116 F HA 0.320 4.847 4.527 -0.000 0.000 0.367 116 F C -0.461 175.026 175.800 -0.523 0.000 1.093 116 F CA -0.829 57.029 58.000 -0.237 0.000 1.085 116 F CB 0.465 39.333 39.000 -0.221 0.000 1.322 116 F HN 0.253 nan 8.300 nan 0.000 0.452 117 C N 4.415 123.360 119.300 -0.592 0.000 2.394 117 C HA 0.548 5.008 4.460 -0.000 0.000 0.362 117 C C 0.315 175.069 174.990 -0.394 0.000 1.268 117 C CA 0.052 58.562 59.018 -0.845 0.000 1.828 117 C CB -0.785 26.386 27.740 -0.949 0.000 2.442 117 C HN 0.833 nan 8.230 nan 0.000 0.549 118 T N 8.347 122.663 114.554 -0.397 0.000 2.781 118 T HA 0.234 4.584 4.350 -0.000 0.000 0.305 118 T C 1.314 175.978 174.700 -0.060 0.000 1.001 118 T CA -0.282 61.757 62.100 -0.102 0.000 0.950 118 T CB 0.862 69.728 68.868 -0.003 0.000 0.955 118 T HN 0.626 nan 8.240 nan 0.000 0.471 119 L N 1.973 123.206 121.223 0.017 0.000 2.017 119 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 119 L C 0.534 177.611 176.870 0.345 0.000 1.073 119 L CA 1.259 56.118 54.840 0.032 0.000 0.745 119 L CB -0.118 41.875 42.059 -0.109 0.000 0.894 119 L HN 0.581 nan 8.230 nan 0.000 0.432 120 Y N -0.435 119.967 120.300 0.170 0.000 2.345 120 Y HA 0.295 4.845 4.550 -0.000 0.000 0.331 120 Y C -0.173 175.904 175.900 0.296 0.000 0.959 120 Y CA -0.820 57.461 58.100 0.301 0.000 1.204 120 Y CB 0.445 38.966 38.460 0.103 0.000 1.135 120 Y HN -0.007 nan 8.280 nan 0.000 0.477 121 H N 7.117 126.099 119.070 -0.147 0.000 2.471 121 H HA 0.144 4.700 4.556 -0.000 0.000 0.234 121 H C -0.717 174.424 175.328 -0.312 0.000 1.388 121 H CA -0.381 55.522 56.048 -0.242 0.000 1.198 121 H CB -0.196 29.452 29.762 -0.191 0.000 1.714 121 H HN 0.990 nan 8.280 nan 0.000 0.536 122 W N -0.168 120.848 121.300 -0.473 0.000 1.446 122 W HA -0.234 4.426 4.660 -0.000 0.000 0.238 122 W C 0.053 176.609 176.519 0.061 0.000 0.976 122 W CA 0.793 58.034 57.345 -0.173 0.000 0.404 122 W CB -2.279 27.168 29.460 -0.021 0.000 1.980 122 W HN 0.512 nan 8.180 nan 0.000 1.274 123 D N 1.267 121.779 120.400 0.187 0.000 2.713 123 D HA 0.396 5.036 4.640 -0.000 0.000 0.229 123 D C 0.257 176.717 176.300 0.267 0.000 1.136 123 D CA -0.244 53.922 54.000 0.276 0.000 1.010 123 D CB -0.478 40.480 40.800 0.264 0.000 1.084 123 D HN 0.081 nan 8.370 nan 0.000 0.495 124 L N 1.026 122.449 121.223 0.334 0.000 2.462 124 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 124 L C -2.399 174.368 176.870 -0.172 0.000 1.166 124 L CA -1.552 53.381 54.840 0.155 0.000 0.880 124 L CB 0.383 42.576 42.059 0.224 0.000 1.142 124 L HN 0.001 nan 8.230 nan 0.000 0.473 125 P HA -0.010 nan 4.420 nan 0.000 0.264 125 P C -0.181 176.956 177.300 -0.271 0.000 1.193 125 P CA 0.083 62.950 63.100 -0.389 0.000 0.763 125 P CB 0.688 32.027 31.700 -0.600 0.000 0.810 126 Q N 5.064 124.772 119.800 -0.154 0.000 2.152 126 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 126 Q C 1.941 177.865 176.000 -0.127 0.000 0.985 126 Q CA 2.512 58.248 55.803 -0.112 0.000 0.863 126 Q CB -1.154 27.551 28.738 -0.055 0.000 0.904 126 Q HN 0.513 nan 8.270 nan 0.000 0.422 127 A N 0.095 122.833 122.820 -0.136 0.000 1.917 127 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 127 A C 2.120 179.612 177.584 -0.154 0.000 1.182 127 A CA 1.739 53.702 52.037 -0.123 0.000 0.633 127 A CB -0.871 18.061 19.000 -0.113 0.000 0.819 127 A HN 0.473 nan 8.150 nan 0.000 0.448 128 L N -1.362 119.723 121.223 -0.229 0.000 2.093 128 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 128 L C 2.809 179.549 176.870 -0.217 0.000 1.085 128 L CA 1.560 56.246 54.840 -0.258 0.000 0.755 128 L CB -0.464 41.349 42.059 -0.409 0.000 0.904 128 L HN 0.470 nan 8.230 nan 0.000 0.435 129 Q N 0.375 120.056 119.800 -0.198 0.000 2.167 129 Q HA -0.201 4.138 4.340 -0.000 0.000 0.202 129 Q C 1.683 177.619 176.000 -0.107 0.000 0.970 129 Q CA 1.563 57.279 55.803 -0.146 0.000 0.855 129 Q CB -0.083 28.582 28.738 -0.121 0.000 0.911 129 Q HN 0.373 nan 8.270 nan 0.000 0.438 130 D N -0.287 120.053 120.400 -0.100 0.000 2.144 130 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 130 D C 1.073 177.331 176.300 -0.071 0.000 0.984 130 D CA 1.490 55.445 54.000 -0.074 0.000 0.834 130 D CB -0.224 40.537 40.800 -0.065 0.000 0.955 130 D HN 0.408 nan 8.370 nan 0.000 0.465 131 A N -0.678 122.090 122.820 -0.087 0.000 2.259 131 A HA 0.430 4.750 4.320 -0.000 0.000 0.208 131 A C 1.686 179.226 177.584 -0.074 0.000 1.201 131 A CA 1.143 53.134 52.037 -0.077 0.000 0.824 131 A CB -0.002 18.946 19.000 -0.087 0.000 0.838 131 A HN 0.289 nan 8.150 nan 0.000 0.485 132 G N -2.911 105.842 108.800 -0.078 0.000 2.255 132 G HA2 0.235 4.195 3.960 -0.000 0.000 0.196 132 G HA3 0.235 4.195 3.960 -0.000 0.000 0.196 132 G C 1.472 176.331 174.900 -0.068 0.000 0.998 132 G CA 0.538 45.602 45.100 -0.060 0.000 0.656 132 G HN 2.103 nan 8.290 nan 0.000 0.490 133 G N -0.300 108.421 108.800 -0.131 0.000 2.566 133 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.280 133 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.280 133 G C 0.841 175.636 174.900 -0.176 0.000 1.225 133 G CA 0.939 45.918 45.100 -0.202 0.000 0.966 133 G HN 1.035 nan 8.290 nan 0.000 0.560 134 W N 1.569 122.874 121.300 0.008 0.000 2.721 134 W HA 0.265 4.925 4.660 0.000 0.000 0.245 134 W C 2.571 179.171 176.519 0.136 0.000 1.276 134 W CA 0.598 57.968 57.345 0.041 0.000 1.342 134 W CB -0.152 29.286 29.460 -0.038 0.000 1.135 134 W HN 0.710 nan 8.180 nan 0.000 0.654 135 G N -0.395 108.550 108.800 0.242 0.000 2.572 135 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 135 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 135 G C 0.440 175.489 174.900 0.249 0.000 1.133 135 G CA 0.043 45.276 45.100 0.222 0.000 0.791 135 G HN -0.006 nan 8.290 nan 0.000 0.538 136 N N 0.174 118.940 118.700 0.110 0.000 2.424 136 N HA 0.214 4.953 4.740 -0.000 0.000 0.271 136 N C 1.177 176.604 175.510 -0.138 0.000 0.985 136 N CA -0.585 52.452 53.050 -0.022 0.000 0.921 136 N CB 1.133 39.589 38.487 -0.052 0.000 1.149 136 N HN 0.019 nan 8.380 nan 0.000 0.492 137 R N 1.940 122.266 120.500 -0.290 0.000 2.303 137 R HA -0.039 4.301 4.340 -0.000 0.000 0.225 137 R C 1.583 177.803 176.300 -0.132 0.000 1.114 137 R CA 0.708 56.611 56.100 -0.329 0.000 1.007 137 R CB 0.153 30.270 30.300 -0.306 0.000 0.861 137 R HN 0.520 nan 8.270 nan 0.000 0.471 138 R N 0.213 120.652 120.500 -0.101 0.000 2.148 138 R HA -0.079 4.261 4.340 -0.000 0.000 0.227 138 R C 1.463 177.727 176.300 -0.060 0.000 1.103 138 R CA 1.413 57.474 56.100 -0.066 0.000 0.983 138 R CB -0.018 30.242 30.300 -0.067 0.000 0.874 138 R HN 0.157 nan 8.270 nan 0.000 0.451 139 T N 1.152 115.639 114.554 -0.111 0.000 2.833 139 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 139 T C 1.777 176.463 174.700 -0.023 0.000 1.054 139 T CA 1.052 63.038 62.100 -0.190 0.000 1.135 139 T CB -0.075 68.499 68.868 -0.491 0.000 0.869 139 T HN 0.212 nan 8.240 nan 0.000 0.466 140 I N 1.089 121.715 120.570 0.094 0.000 2.208 140 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 140 I C 2.764 179.023 176.117 0.238 0.000 1.097 140 I CA 1.458 62.923 61.300 0.276 0.000 1.363 140 I CB -0.420 37.681 38.000 0.170 0.000 1.051 140 I HN 0.324 nan 8.210 nan 0.000 0.413 141 Q N 0.507 120.377 119.800 0.116 0.000 2.083 141 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 141 Q C 2.520 178.567 176.000 0.077 0.000 0.969 141 Q CA 1.497 57.346 55.803 0.077 0.000 0.838 141 Q CB -0.252 28.499 28.738 0.023 0.000 0.900 141 Q HN 0.568 nan 8.270 nan 0.000 0.436 142 A N 0.732 123.616 122.820 0.106 0.000 1.908 142 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 142 A C 1.874 179.601 177.584 0.239 0.000 1.181 142 A CA 1.260 53.393 52.037 0.161 0.000 0.627 142 A CB -0.810 18.322 19.000 0.219 0.000 0.818 142 A HN 0.440 nan 8.150 nan 0.000 0.445 143 F N 0.702 120.755 119.950 0.172 0.000 2.102 143 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 143 F C 2.238 178.003 175.800 -0.059 0.000 1.105 143 F CA 1.951 59.930 58.000 -0.035 0.000 1.239 143 F CB -0.218 38.934 39.000 0.252 0.000 0.991 143 F HN 0.028 nan 8.300 nan 0.000 0.474 144 V N 0.583 120.538 119.914 0.068 0.000 2.407 144 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 144 V C 2.388 178.360 176.094 -0.204 0.000 1.055 144 V CA 2.216 64.483 62.300 -0.055 0.000 1.049 144 V CB -0.949 30.913 31.823 0.064 0.000 0.662 144 V HN 0.490 nan 8.190 nan 0.000 0.455 145 Q N -0.579 119.121 119.800 -0.166 0.000 2.050 145 Q HA -0.240 4.099 4.340 -0.000 0.000 0.202 145 Q C 2.239 178.128 176.000 -0.184 0.000 0.980 145 Q CA 2.067 57.758 55.803 -0.187 0.000 0.840 145 Q CB -0.239 28.339 28.738 -0.268 0.000 0.898 145 Q HN 0.579 nan 8.270 nan 0.000 0.424 146 F N 1.103 120.778 119.950 -0.459 0.000 2.069 146 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 146 F C 2.059 177.506 175.800 -0.589 0.000 1.113 146 F CA 1.658 59.392 58.000 -0.444 0.000 1.214 146 F CB -1.015 37.348 39.000 -1.062 0.000 0.978 146 F HN 0.154 nan 8.300 nan 0.000 0.474 147 A N 0.220 122.366 122.820 -1.123 0.000 1.883 147 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 147 A C 2.164 178.943 177.584 -1.341 0.000 1.186 147 A CA 1.991 53.176 52.037 -1.419 0.000 0.624 147 A CB -1.084 17.227 19.000 -1.149 0.000 0.822 147 A HN 0.587 nan 8.150 nan 0.000 0.444 148 E N -0.902 118.890 120.200 -0.679 0.000 2.058 148 E HA -0.161 4.188 4.350 -0.000 0.000 0.194 148 E C 2.140 178.624 176.600 -0.194 0.000 0.997 148 E CA 1.708 57.922 56.400 -0.310 0.000 0.801 148 E CB -0.454 29.176 29.700 -0.117 0.000 0.746 148 E HN 0.624 nan 8.360 nan 0.000 0.450 149 T N 1.261 115.743 114.554 -0.120 0.000 2.665 149 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 149 T C 1.818 176.535 174.700 0.029 0.000 1.035 149 T CA 1.393 63.521 62.100 0.046 0.000 1.151 149 T CB -0.084 68.938 68.868 0.256 0.000 0.862 149 T HN 0.093 nan 8.240 nan 0.000 0.438 150 M N 0.248 119.770 119.600 -0.129 0.000 2.132 150 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 150 M C 2.071 178.552 176.300 0.301 0.000 1.065 150 M CA 1.299 56.650 55.300 0.085 0.000 1.122 150 M CB -1.380 31.093 32.600 -0.212 0.000 1.365 150 M HN 0.201 nan 8.290 nan 0.000 0.411 151 F N 0.971 120.869 119.950 -0.086 0.000 2.126 151 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 151 F C 2.583 178.388 175.800 0.009 0.000 1.096 151 F CA 1.214 59.083 58.000 -0.219 0.000 1.255 151 F CB -1.202 37.584 39.000 -0.357 0.000 0.997 151 F HN 0.218 nan 8.300 nan 0.000 0.479 152 R N -0.248 120.364 120.500 0.187 0.000 2.075 152 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 152 R C 2.071 178.452 176.300 0.134 0.000 1.114 152 R CA 0.945 57.110 56.100 0.108 0.000 0.972 152 R CB -0.374 29.952 30.300 0.044 0.000 0.869 152 R HN 0.140 nan 8.270 nan 0.000 0.437 153 E N 0.331 120.608 120.200 0.129 0.000 2.077 153 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 153 E C 0.978 177.479 176.600 -0.165 0.000 0.989 153 E CA 1.273 57.658 56.400 -0.025 0.000 0.800 153 E CB 0.054 29.700 29.700 -0.091 0.000 0.746 153 E HN 0.270 nan 8.360 nan 0.000 0.452 154 F N -0.214 119.924 119.950 0.314 0.000 2.684 154 F HA 0.141 4.667 4.527 -0.000 0.000 0.298 154 F C 1.603 177.627 175.800 0.374 0.000 1.120 154 F CA -0.350 57.842 58.000 0.320 0.000 1.332 154 F CB -0.282 38.871 39.000 0.255 0.000 0.986 154 F HN 0.113 nan 8.300 nan 0.000 0.524 155 H N 0.835 120.102 119.070 0.327 0.000 2.699 155 H HA -0.253 4.303 4.556 -0.000 0.000 0.288 155 H C 2.072 177.531 175.328 0.218 0.000 1.055 155 H CA 1.852 58.041 56.048 0.235 0.000 1.125 155 H CB -0.431 29.384 29.762 0.087 0.000 1.520 155 H HN 0.354 nan 8.280 nan 0.000 0.747 156 G N -0.541 108.102 108.800 -0.263 0.000 3.155 156 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.213 156 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.213 156 G C 1.250 176.124 174.900 -0.044 0.000 1.196 156 G CA -0.038 44.897 45.100 -0.275 0.000 0.846 156 G HN 0.463 nan 8.290 nan 0.000 0.516 157 K N -0.664 119.783 120.400 0.078 0.000 2.335 157 K HA 0.299 4.619 4.320 -0.000 0.000 0.195 157 K C 0.345 176.975 176.600 0.050 0.000 1.058 157 K CA 0.300 56.655 56.287 0.113 0.000 0.988 157 K CB 0.716 33.366 32.500 0.251 0.000 0.880 157 K HN 0.255 nan 8.250 nan 0.000 0.513 158 I N 1.393 121.966 120.570 0.005 0.000 2.474 158 I HA 0.135 4.305 4.170 -0.000 0.000 0.294 158 I C 0.331 176.311 176.117 -0.229 0.000 1.005 158 I CA -0.515 60.629 61.300 -0.260 0.000 1.113 158 I CB 2.019 39.558 38.000 -0.768 0.000 1.289 158 I HN -0.033 nan 8.210 nan 0.000 0.436 159 Q N 3.830 123.412 119.800 -0.363 0.000 2.189 159 Q HA 0.278 4.618 4.340 -0.000 0.000 0.223 159 Q C -0.486 175.032 176.000 -0.803 0.000 0.828 159 Q CA 0.266 55.816 55.803 -0.423 0.000 0.967 159 Q CB 1.058 29.515 28.738 -0.470 0.000 1.139 159 Q HN 0.569 nan 8.270 nan 0.000 0.497 160 H N -1.041 117.658 119.070 -0.618 0.000 2.782 160 H HA 0.333 4.889 4.556 -0.000 0.000 0.347 160 H C -1.176 173.589 175.328 -0.939 0.000 1.038 160 H CA -0.467 55.043 56.048 -0.896 0.000 1.255 160 H CB 0.829 29.547 29.762 -1.741 0.000 1.623 160 H HN -0.040 nan 8.280 nan 0.000 0.525 161 W N 2.732 123.752 121.300 -0.467 0.000 2.936 161 W HA 0.618 5.278 4.660 -0.000 0.000 0.338 161 W C -0.902 175.495 176.519 -0.204 0.000 1.121 161 W CA -0.620 56.550 57.345 -0.292 0.000 1.209 161 W CB 1.732 31.042 29.460 -0.251 0.000 1.420 161 W HN 0.249 nan 8.180 nan 0.000 0.516 162 L N 1.965 123.288 121.223 0.166 0.000 2.408 162 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 162 L C 1.157 178.119 176.870 0.152 0.000 0.986 162 L CA -0.647 54.285 54.840 0.153 0.000 0.820 162 L CB 2.449 44.607 42.059 0.165 0.000 1.303 162 L HN 0.720 nan 8.230 nan 0.000 0.411 163 T N -0.610 114.049 114.554 0.174 0.000 2.684 163 T HA 0.127 4.477 4.350 -0.000 0.000 0.253 163 T C 0.383 174.970 174.700 -0.189 0.000 1.057 163 T CA 0.882 63.046 62.100 0.106 0.000 1.162 163 T CB -0.084 68.994 68.868 0.350 0.000 0.868 163 T HN 0.129 nan 8.240 nan 0.000 0.409 164 F N 1.573 121.588 119.950 0.108 0.000 2.522 164 F HA 0.526 5.053 4.527 -0.000 0.000 0.324 164 F C 0.196 176.027 175.800 0.053 0.000 1.077 164 F CA -1.501 56.547 58.000 0.080 0.000 0.944 164 F CB 1.517 40.437 39.000 -0.132 0.000 1.175 164 F HN 0.178 nan 8.300 nan 0.000 0.468 165 N N 2.201 121.041 118.700 0.234 0.000 2.443 165 N HA 0.167 4.907 4.740 -0.000 0.000 0.269 165 N C -1.231 174.382 175.510 0.172 0.000 0.985 165 N CA -0.109 52.974 53.050 0.055 0.000 0.921 165 N CB 0.898 39.215 38.487 -0.283 0.000 1.195 165 N HN 0.805 nan 8.380 nan 0.000 0.492 166 E N 1.598 121.870 120.200 0.119 0.000 2.313 166 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 166 E C -2.058 174.516 176.600 -0.044 0.000 1.406 166 E CA -0.198 56.280 56.400 0.131 0.000 0.668 166 E CB -0.779 29.112 29.700 0.318 0.000 1.135 166 E HN 0.581 nan 8.360 nan 0.000 0.375 167 P HA -0.195 nan 4.420 nan 0.000 0.218 167 P C 1.174 178.104 177.300 -0.617 0.000 1.148 167 P CA 1.229 63.876 63.100 -0.755 0.000 0.822 167 P CB 0.001 30.753 31.700 -1.580 0.000 0.784 168 W N -0.295 120.729 121.300 -0.460 0.000 2.355 168 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 168 W C 2.067 178.505 176.519 -0.136 0.000 1.206 168 W CA 1.433 58.756 57.345 -0.037 0.000 1.284 168 W CB -0.972 28.341 29.460 -0.245 0.000 1.145 168 W HN -0.073 nan 8.180 nan 0.000 0.502 169 C N 0.064 119.274 119.300 -0.150 0.000 2.446 169 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 169 C C 2.679 177.247 174.990 -0.704 0.000 1.275 169 C CA 1.106 59.840 59.018 -0.472 0.000 1.727 169 C CB -1.457 26.017 27.740 -0.443 0.000 2.010 169 C HN 0.339 nan 8.230 nan 0.000 0.486 170 I N 1.319 121.500 120.570 -0.649 0.000 2.208 170 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 170 I C 2.642 178.448 176.117 -0.518 0.000 1.097 170 I CA 1.816 62.774 61.300 -0.570 0.000 1.363 170 I CB -0.475 37.298 38.000 -0.379 0.000 1.051 170 I HN 0.331 nan 8.210 nan 0.000 0.413 171 A N 0.472 122.953 122.820 -0.565 0.000 1.859 171 A HA 0.009 4.328 4.320 -0.000 0.000 0.212 171 A C 1.946 178.988 177.584 -0.902 0.000 1.238 171 A CA 0.839 52.456 52.037 -0.700 0.000 0.613 171 A CB -0.871 17.701 19.000 -0.714 0.000 0.904 171 A HN 0.242 nan 8.150 nan 0.000 0.457 172 F N -0.616 118.904 119.950 -0.717 0.000 2.187 172 F HA 0.055 4.582 4.527 -0.000 0.000 0.295 172 F C 2.018 177.302 175.800 -0.859 0.000 1.091 172 F CA 0.961 58.456 58.000 -0.842 0.000 1.308 172 F CB -0.521 37.895 39.000 -0.974 0.000 1.030 172 F HN 0.223 nan 8.300 nan 0.000 0.487 173 L N -0.459 120.204 121.223 -0.934 0.000 2.093 173 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 173 L C 2.246 178.830 176.870 -0.477 0.000 1.085 173 L CA 1.732 56.169 54.840 -0.671 0.000 0.755 173 L CB -0.883 40.762 42.059 -0.689 0.000 0.904 173 L HN -0.021 nan 8.230 nan 0.000 0.435 174 S N -0.308 115.086 115.700 -0.510 0.000 2.377 174 S HA 0.004 4.474 4.470 -0.000 0.000 0.223 174 S C 1.561 175.931 174.600 -0.384 0.000 1.030 174 S CA 1.147 59.087 58.200 -0.434 0.000 0.970 174 S CB -0.232 62.697 63.200 -0.452 0.000 0.830 174 S HN 0.554 nan 8.310 nan 0.000 0.473 175 N N -0.180 118.274 118.700 -0.409 0.000 2.294 175 N HA 0.218 4.958 4.740 -0.000 0.000 0.186 175 N C 1.321 176.620 175.510 -0.352 0.000 1.107 175 N CA 0.296 53.133 53.050 -0.355 0.000 0.884 175 N CB 0.316 38.584 38.487 -0.364 0.000 1.030 175 N HN 0.286 nan 8.380 nan 0.000 0.482 176 M N 0.238 119.600 119.600 -0.398 0.000 2.858 176 M HA 0.262 4.742 4.480 -0.000 0.000 0.255 176 M C 1.263 177.367 176.300 -0.328 0.000 1.336 176 M CA 1.173 56.221 55.300 -0.419 0.000 1.220 176 M CB 0.003 32.253 32.600 -0.582 0.000 1.252 176 M HN -0.116 nan 8.290 nan 0.000 0.538 177 L N -0.451 120.610 121.223 -0.270 0.000 2.477 177 L HA 0.355 4.695 4.340 -0.000 0.000 0.220 177 L C 1.320 178.128 176.870 -0.103 0.000 1.106 177 L CA 0.489 55.243 54.840 -0.144 0.000 0.851 177 L CB -0.628 41.387 42.059 -0.074 0.000 0.994 177 L HN 0.614 nan 8.230 nan 0.000 0.462 178 G N 0.272 108.982 108.800 -0.150 0.000 2.187 178 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.261 178 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.261 178 G C 0.784 175.691 174.900 0.011 0.000 1.000 178 G CA 0.552 45.598 45.100 -0.090 0.000 0.718 178 G HN 0.199 nan 8.290 nan 0.000 0.519 179 V N -0.780 119.128 119.914 -0.011 0.000 2.788 179 V HA 0.117 4.237 4.120 -0.000 0.000 0.251 179 V C 1.331 177.599 176.094 0.291 0.000 1.068 179 V CA 1.639 64.028 62.300 0.148 0.000 1.090 179 V CB -0.246 31.614 31.823 0.062 0.000 0.710 179 V HN 0.659 nan 8.190 nan 0.000 0.467 180 H N -1.384 117.528 119.070 -0.263 0.000 2.710 180 H HA 0.660 5.216 4.556 -0.000 0.000 0.361 180 H C 0.155 174.684 175.328 -1.331 0.000 1.175 180 H CA -0.647 55.063 56.048 -0.562 0.000 1.206 180 H CB 1.697 31.282 29.762 -0.295 0.000 1.750 180 H HN 0.335 nan 8.280 nan 0.000 0.553 181 A N 2.279 123.886 122.820 -2.022 0.000 2.531 181 A HA 0.039 4.359 4.320 -0.000 0.000 0.236 181 A C -1.592 175.500 177.584 -0.821 0.000 1.062 181 A CA -0.910 50.075 52.037 -1.754 0.000 0.760 181 A CB -0.130 17.781 19.000 -1.814 0.000 0.995 181 A HN 0.593 nan 8.150 nan 0.000 0.501 182 P HA 0.066 nan 4.420 nan 0.000 0.245 182 P C 0.814 177.889 177.300 -0.375 0.000 1.212 182 P CA 1.025 63.861 63.100 -0.440 0.000 0.774 182 P CB -0.026 31.539 31.700 -0.225 0.000 0.999 183 G N 0.012 108.514 108.800 -0.497 0.000 2.160 183 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 183 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 183 G C -0.083 174.753 174.900 -0.107 0.000 1.022 183 G CA -0.213 44.765 45.100 -0.204 0.000 0.741 183 G HN 0.293 nan 8.290 nan 0.000 0.508 184 L N -0.129 120.990 121.223 -0.173 0.000 2.439 184 L HA 0.729 5.069 4.340 -0.000 0.000 0.259 184 L C 1.142 177.914 176.870 -0.165 0.000 1.129 184 L CA 0.038 54.791 54.840 -0.145 0.000 0.803 184 L CB 1.435 43.399 42.059 -0.158 0.000 1.161 184 L HN 0.354 nan 8.230 nan 0.000 0.462 185 T N -1.827 112.638 114.554 -0.148 0.000 3.542 185 T HA 0.291 4.641 4.350 -0.000 0.000 0.276 185 T C -0.566 174.028 174.700 -0.176 0.000 1.412 185 T CA -0.693 61.308 62.100 -0.165 0.000 1.664 185 T CB -0.274 68.526 68.868 -0.113 0.000 0.863 185 T HN 0.538 nan 8.240 nan 0.000 0.661 186 N N 2.355 120.923 118.700 -0.219 0.000 2.500 186 N HA 0.252 4.992 4.740 -0.000 0.000 0.291 186 N C 0.531 175.877 175.510 -0.273 0.000 1.092 186 N CA -0.564 52.361 53.050 -0.207 0.000 0.890 186 N CB 2.248 40.637 38.487 -0.162 0.000 1.466 186 N HN 0.346 nan 8.380 nan 0.000 0.507 187 L N 2.411 123.464 121.223 -0.283 0.000 1.971 187 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 187 L C 2.195 178.867 176.870 -0.330 0.000 1.072 187 L CA 1.940 56.572 54.840 -0.347 0.000 0.758 187 L CB -0.076 41.816 42.059 -0.279 0.000 0.889 187 L HN 0.666 nan 8.230 nan 0.000 0.433 188 Q N -0.482 119.177 119.800 -0.235 0.000 2.096 188 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 188 Q C 1.906 177.779 176.000 -0.212 0.000 0.982 188 Q CA 2.715 58.401 55.803 -0.196 0.000 0.850 188 Q CB -0.419 28.241 28.738 -0.129 0.000 0.901 188 Q HN 0.439 nan 8.270 nan 0.000 0.422 189 T N 0.160 114.588 114.554 -0.211 0.000 2.746 189 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 189 T C 1.695 176.219 174.700 -0.294 0.000 1.039 189 T CA 1.376 63.354 62.100 -0.205 0.000 1.142 189 T CB -0.581 68.177 68.868 -0.182 0.000 0.866 189 T HN 0.476 nan 8.240 nan 0.000 0.444 190 A N 1.078 123.651 122.820 -0.412 0.000 1.902 190 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 190 A C 2.277 179.437 177.584 -0.706 0.000 1.181 190 A CA 1.140 52.784 52.037 -0.655 0.000 0.623 190 A CB -0.721 17.792 19.000 -0.813 0.000 0.818 190 A HN 0.528 nan 8.150 nan 0.000 0.443 191 I N -0.154 120.114 120.570 -0.504 0.000 2.315 191 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 191 I C 1.773 177.782 176.117 -0.180 0.000 1.117 191 I CA 1.274 62.409 61.300 -0.274 0.000 1.404 191 I CB -0.450 37.433 38.000 -0.195 0.000 1.071 191 I HN 0.245 nan 8.210 nan 0.000 0.419 192 D N 0.676 120.930 120.400 -0.244 0.000 2.097 192 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 192 D C 2.396 178.451 176.300 -0.407 0.000 0.989 192 D CA 1.177 54.976 54.000 -0.335 0.000 0.827 192 D CB -0.428 40.249 40.800 -0.205 0.000 0.966 192 D HN 0.123 nan 8.370 nan 0.000 0.456 193 V N 1.181 120.945 119.914 -0.251 0.000 2.287 193 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 193 V C 2.585 178.519 176.094 -0.266 0.000 1.053 193 V CA 2.152 64.341 62.300 -0.186 0.000 1.027 193 V CB -1.142 30.541 31.823 -0.233 0.000 0.646 193 V HN 0.257 nan 8.190 nan 0.000 0.447 194 G N -1.139 107.534 108.800 -0.212 0.000 2.440 194 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 194 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 194 G C 1.485 176.447 174.900 0.104 0.000 1.154 194 G CA 1.397 46.540 45.100 0.072 0.000 0.767 194 G HN 0.643 nan 8.290 nan 0.000 0.552 195 H N 0.013 119.058 119.070 -0.042 0.000 2.357 195 H HA 0.004 4.560 4.556 -0.000 0.000 0.301 195 H C 2.342 177.660 175.328 -0.017 0.000 1.082 195 H CA 1.864 57.904 56.048 -0.014 0.000 1.342 195 H CB -0.374 29.345 29.762 -0.073 0.000 1.389 195 H HN 0.607 nan 8.280 nan 0.000 0.511 196 H N -0.888 118.127 119.070 -0.091 0.000 2.423 196 H HA -0.056 4.499 4.556 -0.000 0.000 0.297 196 H C 2.134 177.319 175.328 -0.238 0.000 1.075 196 H CA 0.910 56.904 56.048 -0.091 0.000 1.342 196 H CB 0.138 29.990 29.762 0.150 0.000 1.395 196 H HN 0.385 nan 8.280 nan 0.000 0.530 197 L N -0.284 120.644 121.223 -0.490 0.000 2.141 197 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 197 L C 1.801 178.197 176.870 -0.790 0.000 1.094 197 L CA 1.397 55.522 54.840 -1.191 0.000 0.763 197 L CB -0.726 40.221 42.059 -1.854 0.000 0.908 197 L HN 0.182 nan 8.230 nan 0.000 0.437 198 L N -0.704 120.270 121.223 -0.416 0.000 2.056 198 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 198 L C 2.578 179.378 176.870 -0.116 0.000 1.078 198 L CA 0.911 55.625 54.840 -0.211 0.000 0.749 198 L CB -0.478 41.500 42.059 -0.135 0.000 0.901 198 L HN 0.193 nan 8.230 nan 0.000 0.433 199 V N 0.019 119.826 119.914 -0.179 0.000 2.358 199 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 199 V C 2.759 178.863 176.094 0.017 0.000 1.047 199 V CA 1.737 63.984 62.300 -0.088 0.000 1.035 199 V CB -0.905 30.858 31.823 -0.100 0.000 0.658 199 V HN 0.473 nan 8.190 nan 0.000 0.452 200 A N -0.375 122.475 122.820 0.050 0.000 1.908 200 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 200 A C 2.261 179.987 177.584 0.238 0.000 1.181 200 A CA 2.179 54.337 52.037 0.202 0.000 0.627 200 A CB -0.953 18.197 19.000 0.249 0.000 0.818 200 A HN 0.753 nan 8.150 nan 0.000 0.445 201 H N -0.241 118.892 119.070 0.106 0.000 2.267 201 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 201 H C 2.293 177.682 175.328 0.102 0.000 1.080 201 H CA 2.136 58.292 56.048 0.179 0.000 1.278 201 H CB -0.714 29.093 29.762 0.074 0.000 1.365 201 H HN 0.364 nan 8.280 nan 0.000 0.489 202 G N 1.494 110.198 108.800 -0.160 0.000 2.491 202 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 202 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 202 G C 2.159 176.987 174.900 -0.121 0.000 1.180 202 G CA 1.082 46.064 45.100 -0.197 0.000 0.774 202 G HN 0.398 nan 8.290 nan 0.000 0.562 203 L N 0.719 121.932 121.223 -0.017 0.000 2.042 203 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 203 L C 3.224 180.127 176.870 0.055 0.000 1.076 203 L CA 1.410 56.268 54.840 0.030 0.000 0.749 203 L CB -0.419 41.684 42.059 0.075 0.000 0.893 203 L HN 0.199 nan 8.230 nan 0.000 0.432 204 S N -0.618 115.143 115.700 0.101 0.000 2.382 204 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 204 S C 2.010 176.706 174.600 0.160 0.000 1.027 204 S CA 1.124 59.433 58.200 0.181 0.000 0.991 204 S CB -0.198 63.174 63.200 0.287 0.000 0.823 204 S HN 0.184 nan 8.310 nan 0.000 0.469 205 V N 2.025 121.909 119.914 -0.051 0.000 2.358 205 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 205 V C 2.550 178.634 176.094 -0.017 0.000 1.047 205 V CA 1.411 63.642 62.300 -0.116 0.000 1.035 205 V CB -0.584 31.082 31.823 -0.261 0.000 0.658 205 V HN 0.373 nan 8.190 nan 0.000 0.452 206 R N -0.033 120.455 120.500 -0.019 0.000 2.080 206 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 206 R C 2.569 178.878 176.300 0.015 0.000 1.137 206 R CA 1.370 57.466 56.100 -0.006 0.000 0.943 206 R CB -0.469 29.827 30.300 -0.006 0.000 0.846 206 R HN 0.363 nan 8.270 nan 0.000 0.431 207 R N 0.186 120.721 120.500 0.058 0.000 2.117 207 R HA -0.149 4.191 4.340 -0.000 0.000 0.243 207 R C 2.074 178.392 176.300 0.030 0.000 1.143 207 R CA 1.163 57.308 56.100 0.076 0.000 0.968 207 R CB -1.015 29.374 30.300 0.148 0.000 0.863 207 R HN 0.254 nan 8.270 nan 0.000 0.444 208 F N 2.058 121.881 119.950 -0.212 0.000 2.095 208 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 208 F C 2.336 177.907 175.800 -0.381 0.000 1.104 208 F CA 1.586 59.200 58.000 -0.643 0.000 1.232 208 F CB 0.032 38.502 39.000 -0.883 0.000 0.987 208 F HN -0.132 nan 8.300 nan 0.000 0.475 209 R N 0.740 121.194 120.500 -0.077 0.000 2.066 209 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 209 R C 2.112 178.326 176.300 -0.145 0.000 1.131 209 R CA 1.890 57.930 56.100 -0.100 0.000 0.955 209 R CB -1.153 29.135 30.300 -0.021 0.000 0.851 209 R HN 0.447 nan 8.270 nan 0.000 0.432 210 E N 0.766 120.902 120.200 -0.106 0.000 2.077 210 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 210 E C 2.030 178.550 176.600 -0.133 0.000 0.989 210 E CA 0.891 57.234 56.400 -0.094 0.000 0.800 210 E CB -0.152 29.514 29.700 -0.057 0.000 0.746 210 E HN 0.213 nan 8.360 nan 0.000 0.452 211 L N -0.238 120.880 121.223 -0.176 0.000 2.465 211 L HA 0.048 4.388 4.340 -0.000 0.000 0.224 211 L C 1.373 178.062 176.870 -0.301 0.000 1.145 211 L CA 0.428 55.140 54.840 -0.214 0.000 0.834 211 L CB -0.330 41.611 42.059 -0.197 0.000 0.944 211 L HN 0.313 nan 8.230 nan 0.000 0.451 212 G N 0.602 109.205 108.800 -0.328 0.000 2.221 212 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.265 212 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.265 212 G C 0.323 174.996 174.900 -0.378 0.000 1.041 212 G CA 0.385 45.298 45.100 -0.311 0.000 0.807 212 G HN 0.291 nan 8.290 nan 0.000 0.502 213 T N 1.125 115.284 114.554 -0.658 0.000 2.937 213 T HA 0.427 4.777 4.350 -0.000 0.000 0.316 213 T C 1.243 175.656 174.700 -0.477 0.000 1.079 213 T CA 0.547 62.297 62.100 -0.584 0.000 1.131 213 T CB 0.989 69.129 68.868 -1.214 0.000 1.000 213 T HN 1.260 nan 8.240 nan 0.000 0.549 214 S N 1.397 117.068 115.700 -0.049 0.000 2.580 214 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 214 S C 0.738 175.430 174.600 0.153 0.000 1.329 214 S CA -0.143 58.019 58.200 -0.064 0.000 1.036 214 S CB 0.669 63.729 63.200 -0.233 0.000 0.919 214 S HN 1.501 nan 8.310 nan 0.000 0.515 215 G N 1.728 110.598 108.800 0.116 0.000 2.548 215 G HA2 0.025 3.984 3.960 -0.000 0.000 0.208 215 G HA3 0.025 3.984 3.960 -0.000 0.000 0.208 215 G C -0.961 174.099 174.900 0.266 0.000 1.308 215 G CA -0.257 44.936 45.100 0.154 0.000 0.924 215 G HN 1.331 nan 8.290 nan 0.000 0.540 216 Q N -1.070 118.797 119.800 0.111 0.000 2.351 216 Q HA 0.860 5.200 4.340 -0.000 0.000 0.273 216 Q C -0.535 175.370 176.000 -0.158 0.000 1.077 216 Q CA -1.140 54.675 55.803 0.020 0.000 0.843 216 Q CB 2.896 31.640 28.738 0.011 0.000 1.367 216 Q HN 1.234 nan 8.270 nan 0.000 0.449 217 I N -0.047 120.325 120.570 -0.330 0.000 2.802 217 I HA 0.794 4.964 4.170 -0.000 0.000 0.298 217 I C -1.073 174.955 176.117 -0.149 0.000 1.176 217 I CA -0.523 60.525 61.300 -0.419 0.000 1.025 217 I CB 2.230 39.569 38.000 -1.102 0.000 1.243 217 I HN 0.933 nan 8.210 nan 0.000 0.424 218 G N 6.028 114.819 108.800 -0.015 0.000 2.731 218 G HA2 0.546 4.505 3.960 -0.000 0.000 0.309 218 G HA3 0.546 4.505 3.960 -0.000 0.000 0.309 218 G C -2.130 172.865 174.900 0.158 0.000 1.273 218 G CA -0.563 44.600 45.100 0.104 0.000 0.798 218 G HN 0.677 nan 8.290 nan 0.000 0.509 219 I N -0.578 120.065 120.570 0.121 0.000 2.828 219 I HA 0.714 4.884 4.170 -0.000 0.000 0.302 219 I C -0.710 175.465 176.117 0.096 0.000 1.101 219 I CA -1.409 59.935 61.300 0.074 0.000 1.031 219 I CB 2.294 40.202 38.000 -0.154 0.000 1.231 219 I HN 0.745 nan 8.210 nan 0.000 0.427 220 A N 7.962 130.840 122.820 0.097 0.000 2.802 220 A HA 0.597 4.917 4.320 -0.000 0.000 0.344 220 A C -2.737 174.900 177.584 0.089 0.000 1.215 220 A CA -1.478 50.622 52.037 0.105 0.000 0.821 220 A CB -0.129 18.932 19.000 0.101 0.000 1.099 220 A HN 0.396 nan 8.150 nan 0.000 0.479 221 P HA 0.120 nan 4.420 nan 0.000 0.275 221 P C -0.760 176.645 177.300 0.175 0.000 1.228 221 P CA -0.257 62.908 63.100 0.107 0.000 0.786 221 P CB 0.970 32.767 31.700 0.163 0.000 0.927 222 N N 1.827 120.654 118.700 0.212 0.000 2.514 222 N HA 0.151 4.891 4.740 -0.000 0.000 0.277 222 N C -0.646 175.055 175.510 0.318 0.000 1.126 222 N CA -0.430 52.776 53.050 0.261 0.000 0.978 222 N CB 0.705 39.370 38.487 0.295 0.000 1.106 222 N HN 0.093 nan 8.380 nan 0.000 0.461 223 V N 1.354 121.420 119.914 0.252 0.000 2.472 223 V HA 0.400 4.520 4.120 -0.000 0.000 0.290 223 V C 0.307 176.421 176.094 0.035 0.000 1.037 223 V CA -0.478 61.953 62.300 0.220 0.000 0.908 223 V CB 1.354 33.340 31.823 0.271 0.000 0.985 223 V HN 0.993 nan 8.190 nan 0.000 0.454 224 S N 5.281 120.893 115.700 -0.146 0.000 2.607 224 S HA 0.719 5.189 4.470 -0.000 0.000 0.303 224 S C -1.153 173.474 174.600 0.045 0.000 1.086 224 S CA -0.672 57.312 58.200 -0.360 0.000 0.995 224 S CB 2.074 64.647 63.200 -1.046 0.000 1.084 224 S HN 0.843 nan 8.310 nan 0.000 0.507 225 W N 1.172 122.365 121.300 -0.178 0.000 3.132 225 W HA 0.569 5.229 4.660 -0.000 0.000 0.337 225 W C -1.623 174.831 176.519 -0.109 0.000 1.082 225 W CA -0.668 56.612 57.345 -0.109 0.000 1.242 225 W CB 1.859 31.340 29.460 0.034 0.000 1.354 225 W HN 1.097 nan 8.180 nan 0.000 0.461 226 A N 4.314 126.654 122.820 -0.799 0.000 2.386 226 A HA 0.800 5.120 4.320 -0.000 0.000 0.311 226 A C -1.983 175.207 177.584 -0.657 0.000 1.068 226 A CA -0.522 51.192 52.037 -0.539 0.000 0.743 226 A CB 2.161 20.924 19.000 -0.395 0.000 1.258 226 A HN 0.294 nan 8.150 nan 0.000 0.429 227 V N 3.916 123.628 119.914 -0.336 0.000 2.604 227 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 227 V C -2.227 173.798 176.094 -0.114 0.000 1.043 227 V CA -1.797 60.373 62.300 -0.215 0.000 0.888 227 V CB 2.417 34.203 31.823 -0.062 0.000 0.995 227 V HN 0.862 nan 8.190 nan 0.000 0.429 228 P HA 0.058 nan 4.420 nan 0.000 0.275 228 P C -0.201 177.119 177.300 0.034 0.000 1.227 228 P CA 0.081 63.165 63.100 -0.027 0.000 0.781 228 P CB 0.988 32.661 31.700 -0.044 0.000 0.906 229 Y N 3.228 123.505 120.300 -0.040 0.000 2.153 229 Y HA -0.110 4.440 4.550 -0.000 0.000 0.289 229 Y C 1.451 177.343 175.900 -0.013 0.000 1.127 229 Y CA 1.817 59.904 58.100 -0.021 0.000 1.131 229 Y CB -0.066 38.385 38.460 -0.016 0.000 0.995 229 Y HN 0.472 nan 8.280 nan 0.000 0.505 230 S N -1.628 114.109 115.700 0.062 0.000 2.739 230 S HA 0.253 4.723 4.470 -0.000 0.000 0.306 230 S C 0.828 175.417 174.600 -0.018 0.000 1.115 230 S CA -0.084 58.104 58.200 -0.020 0.000 0.985 230 S CB 1.226 64.465 63.200 0.064 0.000 1.133 230 S HN 0.331 nan 8.310 nan 0.000 0.541 231 T N -0.805 113.731 114.554 -0.030 0.000 3.148 231 T HA 0.165 4.515 4.350 -0.000 0.000 0.253 231 T C 0.938 175.627 174.700 -0.019 0.000 1.134 231 T CA 0.206 62.289 62.100 -0.029 0.000 1.051 231 T CB -1.060 67.789 68.868 -0.032 0.000 0.959 231 T HN 0.880 nan 8.240 nan 0.000 0.525 232 S N 0.801 116.499 115.700 -0.003 0.000 2.568 232 S HA 0.162 4.632 4.470 -0.000 0.000 0.282 232 S C 1.062 175.648 174.600 -0.024 0.000 1.338 232 S CA -0.478 57.719 58.200 -0.004 0.000 1.045 232 S CB 1.228 64.442 63.200 0.023 0.000 0.873 232 S HN 0.194 nan 8.310 nan 0.000 0.516 233 E N 1.287 121.463 120.200 -0.041 0.000 2.150 233 E HA -0.145 4.204 4.350 -0.000 0.000 0.193 233 E C 2.098 178.647 176.600 -0.086 0.000 0.985 233 E CA 1.769 58.131 56.400 -0.065 0.000 0.814 233 E CB -0.228 29.432 29.700 -0.067 0.000 0.752 233 E HN 0.944 nan 8.360 nan 0.000 0.466 234 E N -0.114 120.031 120.200 -0.092 0.000 2.072 234 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 234 E C 1.194 177.775 176.600 -0.031 0.000 0.985 234 E CA 1.406 57.714 56.400 -0.153 0.000 0.801 234 E CB -0.256 29.288 29.700 -0.260 0.000 0.750 234 E HN 0.110 nan 8.360 nan 0.000 0.452 235 D N 1.307 121.726 120.400 0.032 0.000 2.144 235 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 235 D C 1.810 178.095 176.300 -0.027 0.000 0.978 235 D CA 1.233 55.264 54.000 0.052 0.000 0.833 235 D CB -0.168 40.672 40.800 0.067 0.000 0.961 235 D HN 0.229 nan 8.370 nan 0.000 0.470 236 K N 0.503 120.870 120.400 -0.056 0.000 2.057 236 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 236 K C 1.935 178.457 176.600 -0.130 0.000 1.049 236 K CA 1.258 57.487 56.287 -0.097 0.000 0.931 236 K CB -0.012 32.434 32.500 -0.090 0.000 0.714 236 K HN 0.043 nan 8.250 nan 0.000 0.440 237 A N 1.025 123.771 122.820 -0.123 0.000 1.898 237 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 237 A C 2.335 179.831 177.584 -0.146 0.000 1.181 237 A CA 1.659 53.609 52.037 -0.145 0.000 0.620 237 A CB -0.804 18.114 19.000 -0.137 0.000 0.819 237 A HN 0.469 nan 8.150 nan 0.000 0.442 238 A N -0.780 121.975 122.820 -0.109 0.000 1.908 238 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 238 A C 2.296 179.773 177.584 -0.179 0.000 1.181 238 A CA 1.867 53.834 52.037 -0.117 0.000 0.627 238 A CB -1.348 17.656 19.000 0.008 0.000 0.818 238 A HN 0.615 nan 8.150 nan 0.000 0.445 239 C N -1.174 118.019 119.300 -0.178 0.000 2.435 239 C HA 0.140 4.600 4.460 -0.000 0.000 0.279 239 C C 3.285 178.118 174.990 -0.262 0.000 1.321 239 C CA 0.526 59.392 59.018 -0.254 0.000 1.752 239 C CB -1.357 26.209 27.740 -0.291 0.000 1.959 239 C HN 0.708 nan 8.230 nan 0.000 0.500 240 A N 0.755 123.460 122.820 -0.192 0.000 1.930 240 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 240 A C 2.262 179.903 177.584 0.095 0.000 1.175 240 A CA 1.261 53.235 52.037 -0.105 0.000 0.627 240 A CB -0.458 18.407 19.000 -0.225 0.000 0.815 240 A HN 0.656 nan 8.150 nan 0.000 0.443 241 R N -0.985 119.514 120.500 -0.003 0.000 2.066 241 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 241 R C 2.299 178.444 176.300 -0.257 0.000 1.131 241 R CA 1.797 57.772 56.100 -0.207 0.000 0.955 241 R CB -0.847 29.109 30.300 -0.573 0.000 0.851 241 R HN 0.506 nan 8.270 nan 0.000 0.432 242 T N 1.569 115.964 114.554 -0.264 0.000 2.684 242 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 242 T C 1.955 176.521 174.700 -0.222 0.000 1.036 242 T CA 1.308 63.248 62.100 -0.265 0.000 1.148 242 T CB -0.161 68.534 68.868 -0.289 0.000 0.863 242 T HN 0.139 nan 8.240 nan 0.000 0.436 243 I N 0.928 121.364 120.570 -0.223 0.000 2.163 243 I HA -0.149 4.021 4.170 -0.000 0.000 0.240 243 I C 2.713 178.858 176.117 0.046 0.000 1.081 243 I CA 1.018 62.212 61.300 -0.177 0.000 1.353 243 I CB -0.377 37.410 38.000 -0.354 0.000 1.054 243 I HN 0.160 nan 8.210 nan 0.000 0.407 244 S N 0.801 116.582 115.700 0.135 0.000 2.399 244 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 244 S C 1.888 176.638 174.600 0.249 0.000 1.022 244 S CA 1.067 59.440 58.200 0.288 0.000 0.983 244 S CB -0.360 63.105 63.200 0.442 0.000 0.803 244 S HN 0.265 nan 8.310 nan 0.000 0.480 245 L N 1.119 122.390 121.223 0.078 0.000 2.141 245 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 245 L C 1.875 178.965 176.870 0.367 0.000 1.094 245 L CA 1.866 56.733 54.840 0.045 0.000 0.763 245 L CB -0.688 41.252 42.059 -0.198 0.000 0.908 245 L HN 0.244 nan 8.230 nan 0.000 0.437 246 H N -1.619 117.544 119.070 0.154 0.000 2.333 246 H HA -0.029 4.527 4.556 -0.000 0.000 0.302 246 H C 2.277 177.899 175.328 0.489 0.000 1.075 246 H CA 1.785 57.968 56.048 0.224 0.000 1.348 246 H CB 0.096 29.778 29.762 -0.134 0.000 1.393 246 H HN 0.523 nan 8.280 nan 0.000 0.509 247 S N -0.919 115.101 115.700 0.533 0.000 2.655 247 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 247 S C 1.628 176.527 174.600 0.499 0.000 1.044 247 S CA 0.243 58.752 58.200 0.515 0.000 0.910 247 S CB 0.066 63.543 63.200 0.462 0.000 0.833 247 S HN 0.202 nan 8.310 nan 0.000 0.581 248 D N 0.821 121.520 120.400 0.498 0.000 2.149 248 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 248 D C 1.348 177.840 176.300 0.321 0.000 0.990 248 D CA 1.011 55.287 54.000 0.460 0.000 0.839 248 D CB -0.385 40.711 40.800 0.493 0.000 0.948 248 D HN 0.506 nan 8.370 nan 0.000 0.460 249 W N 0.124 121.489 121.300 0.108 0.000 2.364 249 W HA -0.145 4.515 4.660 -0.000 0.000 0.281 249 W C 1.638 177.971 176.519 -0.310 0.000 1.219 249 W CA 1.008 58.303 57.345 -0.084 0.000 1.220 249 W CB -0.308 29.025 29.460 -0.212 0.000 1.127 249 W HN -0.064 nan 8.180 nan 0.000 0.556 250 F N -2.254 117.844 119.950 0.247 0.000 2.653 250 F HA 0.146 4.673 4.527 -0.000 0.000 0.288 250 F C 1.869 177.613 175.800 -0.093 0.000 1.121 250 F CA 0.526 58.550 58.000 0.040 0.000 1.384 250 F CB -0.742 38.318 39.000 0.099 0.000 1.115 250 F HN -0.318 nan 8.300 nan 0.000 0.599 251 L N -0.457 120.831 121.223 0.109 0.000 2.249 251 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 251 L C 2.407 179.156 176.870 -0.201 0.000 1.090 251 L CA 0.787 55.572 54.840 -0.092 0.000 0.802 251 L CB -0.453 41.467 42.059 -0.232 0.000 0.947 251 L HN 0.180 nan 8.230 nan 0.000 0.453 252 Q N 0.534 120.304 119.800 -0.050 0.000 2.079 252 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 252 Q C -0.543 175.403 176.000 -0.090 0.000 0.974 252 Q CA 1.517 57.357 55.803 0.061 0.000 0.840 252 Q CB -0.452 28.369 28.738 0.139 0.000 0.898 252 Q HN 0.285 nan 8.270 nan 0.000 0.430 253 P HA -0.148 nan 4.420 nan 0.000 0.216 253 P C 0.957 178.127 177.300 -0.217 0.000 1.153 253 P CA 1.221 64.101 63.100 -0.366 0.000 0.848 253 P CB -0.025 31.270 31.700 -0.675 0.000 0.787 254 I N -2.770 117.670 120.570 -0.216 0.000 2.226 254 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 254 I C 1.923 177.851 176.117 -0.315 0.000 1.100 254 I CA 1.754 62.900 61.300 -0.257 0.000 1.374 254 I CB -0.425 37.369 38.000 -0.343 0.000 1.057 254 I HN -0.017 nan 8.210 nan 0.000 0.413 255 Y N -0.176 120.044 120.300 -0.133 0.000 2.479 255 Y HA 0.060 4.610 4.550 -0.000 0.000 0.283 255 Y C 1.950 177.864 175.900 0.023 0.000 1.109 255 Y CA 0.401 58.469 58.100 -0.054 0.000 1.239 255 Y CB 0.233 38.640 38.460 -0.088 0.000 1.108 255 Y HN 0.111 nan 8.280 nan 0.000 0.548 256 Q N -0.943 118.953 119.800 0.161 0.000 2.171 256 Q HA 0.266 4.606 4.340 -0.000 0.000 0.218 256 Q C 1.103 177.130 176.000 0.045 0.000 0.822 256 Q CA 0.364 56.243 55.803 0.126 0.000 0.987 256 Q CB 1.278 30.121 28.738 0.174 0.000 1.144 256 Q HN 0.456 nan 8.270 nan 0.000 0.494 257 G N 1.761 110.557 108.800 -0.008 0.000 2.168 257 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 257 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 257 G C 0.107 174.975 174.900 -0.054 0.000 0.997 257 G CA 0.672 45.750 45.100 -0.036 0.000 0.708 257 G HN 0.471 nan 8.290 nan 0.000 0.520 258 S N -1.864 113.784 115.700 -0.087 0.000 2.588 258 S HA 0.703 5.173 4.470 -0.000 0.000 0.269 258 S C -0.840 173.659 174.600 -0.168 0.000 1.157 258 S CA -1.199 56.954 58.200 -0.078 0.000 0.824 258 S CB 1.644 64.854 63.200 0.018 0.000 1.126 258 S HN 0.469 nan 8.310 nan 0.000 0.464 259 Y N 0.921 121.129 120.300 -0.152 0.000 2.335 259 Y HA 0.469 5.019 4.550 -0.000 0.000 0.323 259 Y C -2.379 173.466 175.900 -0.092 0.000 1.224 259 Y CA -1.816 56.106 58.100 -0.296 0.000 1.241 259 Y CB 0.706 38.892 38.460 -0.457 0.000 1.235 259 Y HN 0.424 nan 8.280 nan 0.000 0.492 260 P HA -0.031 nan 4.420 nan 0.000 0.260 260 P C 0.105 177.546 177.300 0.235 0.000 1.207 260 P CA 0.276 63.534 63.100 0.264 0.000 0.780 260 P CB 0.754 32.654 31.700 0.334 0.000 0.789 261 Q N 4.584 124.532 119.800 0.246 0.000 2.112 261 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 261 Q C 1.474 177.601 176.000 0.212 0.000 0.987 261 Q CA 2.090 58.014 55.803 0.201 0.000 0.858 261 Q CB -0.942 27.898 28.738 0.169 0.000 0.905 261 Q HN 0.550 nan 8.270 nan 0.000 0.420 262 F N -1.326 118.665 119.950 0.070 0.000 2.216 262 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 262 F C 1.485 177.304 175.800 0.032 0.000 1.085 262 F CA 0.986 59.014 58.000 0.045 0.000 1.326 262 F CB -0.698 38.306 39.000 0.006 0.000 1.027 262 F HN 0.078 nan 8.300 nan 0.000 0.497 263 L N -0.185 120.615 121.223 -0.706 0.000 2.209 263 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 263 L C 2.512 179.186 176.870 -0.327 0.000 1.094 263 L CA 0.352 54.731 54.840 -0.768 0.000 0.790 263 L CB -0.403 41.206 42.059 -0.751 0.000 0.932 263 L HN 0.083 nan 8.230 nan 0.000 0.447 264 V N -0.001 119.929 119.914 0.026 0.000 2.295 264 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 264 V C 2.041 178.190 176.094 0.091 0.000 1.049 264 V CA 1.952 64.341 62.300 0.148 0.000 1.024 264 V CB -0.459 31.446 31.823 0.137 0.000 0.648 264 V HN 0.450 nan 8.190 nan 0.000 0.447 265 D N -1.192 119.250 120.400 0.070 0.000 2.144 265 D HA -0.196 4.444 4.640 -0.000 0.000 0.200 265 D C 1.822 178.155 176.300 0.055 0.000 0.978 265 D CA 1.095 55.139 54.000 0.073 0.000 0.833 265 D CB -0.331 40.529 40.800 0.099 0.000 0.961 265 D HN 0.621 nan 8.370 nan 0.000 0.470 266 W N 0.879 122.069 121.300 -0.183 0.000 2.333 266 W HA -0.246 4.414 4.660 -0.000 0.000 0.316 266 W C 1.582 178.035 176.519 -0.110 0.000 1.215 266 W CA 0.949 58.154 57.345 -0.232 0.000 1.278 266 W CB -0.414 28.753 29.460 -0.489 0.000 1.154 266 W HN -0.090 nan 8.180 nan 0.000 0.486 267 F N 1.012 121.025 119.950 0.105 0.000 2.234 267 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 267 F C 2.740 178.514 175.800 -0.043 0.000 1.087 267 F CA 1.390 59.404 58.000 0.022 0.000 1.340 267 F CB -1.710 37.325 39.000 0.058 0.000 1.031 267 F HN -0.101 nan 8.300 nan 0.000 0.500 268 A N 0.107 123.010 122.820 0.138 0.000 1.940 268 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 268 A C 2.143 179.721 177.584 -0.009 0.000 1.176 268 A CA 1.627 53.698 52.037 0.056 0.000 0.631 268 A CB -0.536 18.489 19.000 0.043 0.000 0.814 268 A HN 0.238 nan 8.150 nan 0.000 0.446 269 E N 0.184 120.341 120.200 -0.072 0.000 2.265 269 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 269 E C 1.547 178.066 176.600 -0.135 0.000 0.996 269 E CA 1.022 57.339 56.400 -0.138 0.000 0.832 269 E CB -0.347 29.193 29.700 -0.267 0.000 0.756 269 E HN 0.804 nan 8.360 nan 0.000 0.491 270 Q N -0.646 119.093 119.800 -0.101 0.000 2.280 270 Q HA 0.219 4.559 4.340 -0.000 0.000 0.201 270 Q C 0.611 176.594 176.000 -0.028 0.000 0.890 270 Q CA 0.339 56.105 55.803 -0.061 0.000 0.947 270 Q CB 0.742 29.476 28.738 -0.007 0.000 1.081 270 Q HN 0.339 nan 8.270 nan 0.000 0.502 271 G N 0.677 109.464 108.800 -0.022 0.000 2.143 271 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.249 271 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.249 271 G C 0.080 174.969 174.900 -0.017 0.000 0.981 271 G CA 0.158 45.245 45.100 -0.021 0.000 0.665 271 G HN 0.497 nan 8.290 nan 0.000 0.528 272 A N -0.198 122.624 122.820 0.003 0.000 2.340 272 A HA 0.989 5.309 4.320 -0.000 0.000 0.331 272 A C 0.276 177.875 177.584 0.024 0.000 1.140 272 A CA 0.564 52.591 52.037 -0.018 0.000 0.801 272 A CB 1.445 20.397 19.000 -0.079 0.000 1.234 272 A HN 1.661 nan 8.150 nan 0.000 0.469 273 T N -1.199 113.349 114.554 -0.010 0.000 2.909 273 T HA 0.573 4.923 4.350 -0.000 0.000 0.299 273 T C -0.574 174.091 174.700 -0.059 0.000 1.073 273 T CA -0.679 61.416 62.100 -0.007 0.000 0.999 273 T CB 0.985 69.844 68.868 -0.016 0.000 1.098 273 T HN 0.632 nan 8.240 nan 0.000 0.477 274 V N 3.841 123.691 119.914 -0.106 0.000 2.521 274 V HA 0.279 4.398 4.120 -0.000 0.000 0.286 274 V C -1.518 174.422 176.094 -0.256 0.000 1.034 274 V CA -1.362 60.790 62.300 -0.245 0.000 1.045 274 V CB 0.284 31.799 31.823 -0.513 0.000 0.974 274 V HN 0.826 nan 8.190 nan 0.000 0.480 275 P HA 0.233 nan 4.420 nan 0.000 0.230 275 P C -0.258 176.945 177.300 -0.161 0.000 1.791 275 P CA 0.026 63.060 63.100 -0.111 0.000 1.020 275 P CB -0.182 31.537 31.700 0.032 0.000 1.977 276 I N 1.215 121.638 120.570 -0.245 0.000 2.396 276 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 276 I C 0.989 177.133 176.117 0.045 0.000 1.056 276 I CA -0.262 60.956 61.300 -0.136 0.000 1.365 276 I CB 0.461 38.388 38.000 -0.122 0.000 1.407 276 I HN 0.081 nan 8.210 nan 0.000 0.509 277 Q N 4.194 124.079 119.800 0.142 0.000 2.205 277 Q HA 0.259 4.599 4.340 -0.000 0.000 0.249 277 Q C -0.881 175.173 176.000 0.090 0.000 0.948 277 Q CA -1.054 54.811 55.803 0.103 0.000 0.895 277 Q CB 1.466 30.271 28.738 0.113 0.000 1.249 277 Q HN 0.458 nan 8.270 nan 0.000 0.458 278 D N 0.041 120.478 120.400 0.061 0.000 2.443 278 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 278 D C 1.039 177.372 176.300 0.055 0.000 1.136 278 D CA 1.534 55.565 54.000 0.051 0.000 0.879 278 D CB 0.670 41.491 40.800 0.036 0.000 1.195 278 D HN 0.808 nan 8.370 nan 0.000 0.443 279 G N 2.346 111.176 108.800 0.050 0.000 2.284 279 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.247 279 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.247 279 G C 1.078 176.010 174.900 0.054 0.000 1.012 279 G CA 0.475 45.601 45.100 0.043 0.000 0.618 279 G HN 0.497 nan 8.290 nan 0.000 0.521 280 D N 0.604 121.057 120.400 0.088 0.000 2.087 280 D HA -0.090 4.550 4.640 -0.000 0.000 0.192 280 D C 2.743 179.092 176.300 0.083 0.000 0.993 280 D CA 1.715 55.783 54.000 0.114 0.000 0.828 280 D CB -0.257 40.698 40.800 0.258 0.000 0.968 280 D HN 0.348 nan 8.370 nan 0.000 0.448 281 M N 0.848 120.503 119.600 0.092 0.000 2.195 281 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 281 M C 1.407 177.709 176.300 0.004 0.000 1.066 281 M CA 1.161 56.482 55.300 0.036 0.000 1.089 281 M CB -0.903 31.715 32.600 0.029 0.000 1.377 281 M HN 0.009 nan 8.290 nan 0.000 0.411 282 D N 0.271 120.679 120.400 0.015 0.000 2.144 282 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 282 D C 2.223 178.519 176.300 -0.006 0.000 0.978 282 D CA 0.974 54.976 54.000 0.003 0.000 0.833 282 D CB -0.042 40.764 40.800 0.010 0.000 0.961 282 D HN 0.373 nan 8.370 nan 0.000 0.470 283 I N 0.776 121.346 120.570 -0.000 0.000 2.252 283 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 283 I C 2.336 178.438 176.117 -0.024 0.000 1.102 283 I CA 0.689 61.983 61.300 -0.010 0.000 1.385 283 I CB -0.093 37.908 38.000 0.000 0.000 1.064 283 I HN -0.068 nan 8.210 nan 0.000 0.414 284 I N 0.742 121.298 120.570 -0.023 0.000 2.361 284 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 284 I C 2.272 178.367 176.117 -0.036 0.000 1.133 284 I CA 1.373 62.659 61.300 -0.024 0.000 1.413 284 I CB -0.733 37.226 38.000 -0.068 0.000 1.073 284 I HN 0.252 nan 8.210 nan 0.000 0.424 285 G N 0.525 109.293 108.800 -0.053 0.000 3.061 285 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.208 285 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.208 285 G C 0.443 175.300 174.900 -0.071 0.000 1.175 285 G CA -0.194 44.864 45.100 -0.071 0.000 0.812 285 G HN 0.233 nan 8.290 nan 0.000 0.523 286 E N 1.612 121.774 120.200 -0.064 0.000 2.480 286 E HA 0.159 4.509 4.350 -0.000 0.000 0.258 286 E C -2.079 174.470 176.600 -0.085 0.000 0.984 286 E CA -1.665 54.693 56.400 -0.072 0.000 0.930 286 E CB 0.392 30.033 29.700 -0.098 0.000 0.936 286 E HN 0.047 nan 8.360 nan 0.000 0.466 287 P HA 0.009 nan 4.420 nan 0.000 0.261 287 P C -0.715 176.550 177.300 -0.058 0.000 1.183 287 P CA 0.492 63.557 63.100 -0.059 0.000 0.761 287 P CB 0.120 31.811 31.700 -0.015 0.000 0.785 288 I N -0.734 119.797 120.570 -0.066 0.000 2.648 288 I HA 0.438 4.608 4.170 -0.000 0.000 0.304 288 I C 0.409 176.550 176.117 0.041 0.000 1.009 288 I CA -0.779 60.507 61.300 -0.023 0.000 1.114 288 I CB 2.054 40.057 38.000 0.005 0.000 1.293 288 I HN 0.047 nan 8.210 nan 0.000 0.449 289 D N 3.890 124.314 120.400 0.040 0.000 2.234 289 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 289 D C 0.645 177.040 176.300 0.159 0.000 0.962 289 D CA 1.506 55.557 54.000 0.085 0.000 0.855 289 D CB 0.270 41.103 40.800 0.055 0.000 0.951 289 D HN 0.635 nan 8.370 nan 0.000 0.500 290 M N -0.551 119.160 119.600 0.186 0.000 3.196 290 M HA 0.304 4.784 4.480 -0.000 0.000 0.279 290 M C -2.029 174.430 176.300 0.265 0.000 1.173 290 M CA -0.942 54.522 55.300 0.273 0.000 0.820 290 M CB 1.788 34.628 32.600 0.400 0.000 1.621 290 M HN -0.125 nan 8.290 nan 0.000 0.521 291 I N -0.816 119.934 120.570 0.299 0.000 2.934 291 I HA 0.981 5.151 4.170 -0.000 0.000 0.306 291 I C -0.158 176.127 176.117 0.280 0.000 1.110 291 I CA -0.835 60.617 61.300 0.254 0.000 1.019 291 I CB 2.405 40.545 38.000 0.234 0.000 1.227 291 I HN 0.841 nan 8.210 nan 0.000 0.434 292 G N 4.272 113.205 108.800 0.221 0.000 2.400 292 G HA2 0.674 4.634 3.960 -0.000 0.000 0.333 292 G HA3 0.674 4.634 3.960 -0.000 0.000 0.333 292 G C -0.933 174.064 174.900 0.162 0.000 1.143 292 G CA -0.529 44.687 45.100 0.193 0.000 0.914 292 G HN 0.411 nan 8.290 nan 0.000 0.480 293 I N 1.787 122.447 120.570 0.149 0.000 2.436 293 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 293 I C -1.061 175.133 176.117 0.129 0.000 1.010 293 I CA -1.365 60.026 61.300 0.152 0.000 1.098 293 I CB 1.803 39.895 38.000 0.153 0.000 1.266 293 I HN 0.294 nan 8.210 nan 0.000 0.434 294 N N 6.632 125.417 118.700 0.141 0.000 2.469 294 N HA 0.310 5.050 4.740 -0.000 0.000 0.253 294 N C -1.161 174.425 175.510 0.125 0.000 0.970 294 N CA -0.302 52.803 53.050 0.092 0.000 0.940 294 N CB 1.510 40.078 38.487 0.134 0.000 1.128 294 N HN 0.454 nan 8.380 nan 0.000 0.503 295 Y N 1.891 122.109 120.300 -0.137 0.000 2.425 295 Y HA 0.403 4.953 4.550 -0.000 0.000 0.344 295 Y C -0.647 175.116 175.900 -0.230 0.000 0.969 295 Y CA -0.504 57.565 58.100 -0.052 0.000 1.052 295 Y CB 1.065 39.561 38.460 0.059 0.000 1.215 295 Y HN 0.508 nan 8.280 nan 0.000 0.451 296 Y N 1.453 121.372 120.300 -0.634 0.000 2.731 296 Y HA 0.341 4.891 4.550 -0.000 0.000 0.269 296 Y C 0.849 176.568 175.900 -0.301 0.000 1.156 296 Y CA 0.402 58.377 58.100 -0.209 0.000 1.191 296 Y CB 0.843 39.337 38.460 0.058 0.000 1.382 296 Y HN 0.523 nan 8.280 nan 0.000 0.477 297 S N -0.451 114.959 115.700 -0.484 0.000 2.794 297 S HA 0.746 5.215 4.470 -0.000 0.000 0.299 297 S C -1.540 172.985 174.600 -0.126 0.000 1.179 297 S CA -0.587 57.518 58.200 -0.158 0.000 0.838 297 S CB 1.570 64.743 63.200 -0.044 0.000 1.206 297 S HN 0.116 nan 8.310 nan 0.000 0.523 298 M N 1.849 121.512 119.600 0.104 0.000 2.520 298 M HA 0.542 5.022 4.480 -0.000 0.000 0.280 298 M C -1.691 174.660 176.300 0.085 0.000 1.232 298 M CA -0.362 55.057 55.300 0.199 0.000 0.892 298 M CB 2.043 34.870 32.600 0.378 0.000 1.728 298 M HN 0.886 nan 8.290 nan 0.000 0.475 299 S N 1.370 117.084 115.700 0.024 0.000 2.627 299 S HA 0.829 5.299 4.470 -0.000 0.000 0.283 299 S C -1.471 173.113 174.600 -0.026 0.000 1.127 299 S CA -0.776 57.416 58.200 -0.014 0.000 0.863 299 S CB 2.068 65.222 63.200 -0.077 0.000 1.121 299 S HN 0.489 nan 8.310 nan 0.000 0.479 300 V N 2.521 122.435 119.914 0.000 0.000 2.357 300 V HA 0.530 4.650 4.120 -0.000 0.000 0.284 300 V C -0.859 175.235 176.094 -0.000 0.000 1.018 300 V CA -0.565 61.750 62.300 0.024 0.000 0.841 300 V CB 0.725 32.614 31.823 0.109 0.000 0.991 300 V HN 0.880 nan 8.190 nan 0.000 0.437 301 N N 3.670 122.350 118.700 -0.032 0.000 2.402 301 N HA 0.834 5.574 4.740 -0.000 0.000 0.294 301 N C -0.528 174.978 175.510 -0.008 0.000 1.203 301 N CA -0.956 52.061 53.050 -0.054 0.000 0.838 301 N CB 1.852 40.273 38.487 -0.109 0.000 1.306 301 N HN 0.780 nan 8.380 nan 0.000 0.510 302 R N -0.623 119.860 120.500 -0.029 0.000 2.774 302 R HA 0.504 4.844 4.340 -0.000 0.000 0.272 302 R C -1.382 174.930 176.300 0.020 0.000 1.000 302 R CA -0.833 55.279 56.100 0.021 0.000 0.906 302 R CB 0.763 31.056 30.300 -0.011 0.000 1.227 302 R HN 0.389 nan 8.270 nan 0.000 0.468 303 F N 2.696 122.624 119.950 -0.037 0.000 2.495 303 F HA 0.366 4.893 4.527 -0.000 0.000 0.365 303 F C -0.749 175.043 175.800 -0.014 0.000 1.090 303 F CA -0.008 57.974 58.000 -0.031 0.000 1.235 303 F CB 0.791 39.784 39.000 -0.011 0.000 1.119 303 F HN 0.685 nan 8.300 nan 0.000 0.562 304 N N 8.019 126.131 118.700 -0.980 0.000 2.572 304 N HA 0.266 5.006 4.740 -0.000 0.000 0.287 304 N C -2.348 172.706 175.510 -0.761 0.000 1.136 304 N CA -1.961 50.585 53.050 -0.840 0.000 0.900 304 N CB 2.164 40.433 38.487 -0.362 0.000 1.484 304 N HN 0.279 nan 8.380 nan 0.000 0.526 305 P HA -0.099 nan 4.420 nan 0.000 0.221 305 P C 0.227 177.475 177.300 -0.087 0.000 1.145 305 P CA 1.229 64.188 63.100 -0.235 0.000 0.795 305 P CB 0.617 32.278 31.700 -0.065 0.000 0.775 306 E N -0.407 119.719 120.200 -0.123 0.000 2.472 306 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 306 E C 1.163 177.744 176.600 -0.032 0.000 1.033 306 E CA 0.041 56.410 56.400 -0.051 0.000 0.886 306 E CB -0.058 29.609 29.700 -0.054 0.000 0.944 306 E HN 0.171 nan 8.360 nan 0.000 0.492 307 A N 1.689 124.468 122.820 -0.069 0.000 3.051 307 A HA 0.460 4.780 4.320 -0.000 0.000 0.257 307 A C 0.965 178.563 177.584 0.024 0.000 1.785 307 A CA 0.633 52.646 52.037 -0.040 0.000 1.420 307 A CB -1.115 17.828 19.000 -0.096 0.000 1.063 307 A HN 0.177 nan 8.150 nan 0.000 0.630 308 G N -0.017 108.834 108.800 0.086 0.000 2.796 308 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.226 308 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.226 308 G C 0.314 175.376 174.900 0.270 0.000 1.381 308 G CA 0.084 45.299 45.100 0.191 0.000 0.867 308 G HN 1.589 nan 8.290 nan 0.000 0.552 309 F N -1.793 118.246 119.950 0.148 0.000 2.546 309 F HA 0.350 4.877 4.527 -0.000 0.000 0.298 309 F C 1.901 177.964 175.800 0.439 0.000 1.120 309 F CA 1.299 59.446 58.000 0.246 0.000 1.456 309 F CB -0.292 38.830 39.000 0.203 0.000 1.088 309 F HN 0.275 nan 8.300 nan 0.000 0.572 310 L N 0.492 121.590 121.223 -0.208 0.000 2.640 310 L HA 0.237 4.577 4.340 -0.000 0.000 0.230 310 L C 0.742 177.547 176.870 -0.107 0.000 1.123 310 L CA 0.145 54.786 54.840 -0.333 0.000 0.900 310 L CB -1.180 40.485 42.059 -0.656 0.000 1.146 310 L HN 0.271 nan 8.230 nan 0.000 0.484 311 Q N -0.176 119.679 119.800 0.092 0.000 2.435 311 Q HA -0.227 4.113 4.340 -0.000 0.000 0.312 311 Q C 0.168 176.149 176.000 -0.031 0.000 1.333 311 Q CA 0.813 56.666 55.803 0.084 0.000 0.883 311 Q CB -1.653 27.299 28.738 0.356 0.000 1.170 311 Q HN 0.305 nan 8.270 nan 0.000 0.443 312 S N 0.095 115.735 115.700 -0.099 0.000 2.733 312 S HA 0.326 4.796 4.470 -0.000 0.000 0.307 312 S C -0.808 173.723 174.600 -0.114 0.000 1.127 312 S CA -0.718 57.413 58.200 -0.115 0.000 1.097 312 S CB 1.311 64.409 63.200 -0.171 0.000 1.003 312 S HN 0.348 nan 8.310 nan 0.000 0.477 313 E N 3.332 123.462 120.200 -0.116 0.000 2.227 313 E HA 0.219 4.569 4.350 -0.000 0.000 0.282 313 E C -0.515 176.024 176.600 -0.101 0.000 1.015 313 E CA -0.363 55.972 56.400 -0.109 0.000 0.823 313 E CB 0.799 30.420 29.700 -0.131 0.000 1.081 313 E HN 0.687 nan 8.360 nan 0.000 0.396 314 E N 5.048 125.197 120.200 -0.086 0.000 2.200 314 E HA 0.175 4.525 4.350 -0.000 0.000 0.283 314 E C -0.406 176.150 176.600 -0.073 0.000 1.015 314 E CA -0.774 55.581 56.400 -0.076 0.000 0.819 314 E CB 0.700 30.362 29.700 -0.064 0.000 1.081 314 E HN 0.440 nan 8.360 nan 0.000 0.397 315 I N 3.818 124.342 120.570 -0.077 0.000 2.428 315 I HA 0.081 4.251 4.170 -0.000 0.000 0.289 315 I C 0.490 176.590 176.117 -0.028 0.000 1.019 315 I CA -0.188 61.054 61.300 -0.095 0.000 1.351 315 I CB 0.805 38.711 38.000 -0.157 0.000 1.412 315 I HN 0.596 nan 8.210 nan 0.000 0.513 316 N N 6.257 124.944 118.700 -0.023 0.000 2.482 316 N HA 0.107 4.847 4.740 -0.000 0.000 0.242 316 N C 0.784 176.312 175.510 0.031 0.000 1.100 316 N CA -0.530 52.529 53.050 0.015 0.000 0.946 316 N CB 0.592 39.087 38.487 0.014 0.000 1.227 316 N HN 0.426 nan 8.380 nan 0.000 0.508 317 M N 2.279 121.913 119.600 0.057 0.000 2.659 317 M HA 0.087 4.567 4.480 -0.000 0.000 0.243 317 M C 1.467 177.809 176.300 0.070 0.000 1.111 317 M CA 0.426 55.774 55.300 0.080 0.000 1.070 317 M CB -0.963 31.695 32.600 0.095 0.000 1.525 317 M HN 0.825 nan 8.290 nan 0.000 0.517 318 G N 0.813 109.649 108.800 0.059 0.000 2.176 318 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 318 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 318 G C 0.261 175.196 174.900 0.059 0.000 0.979 318 G CA -0.192 44.941 45.100 0.054 0.000 0.641 318 G HN 0.427 nan 8.290 nan 0.000 0.530 319 L N 0.979 122.244 121.223 0.070 0.000 2.467 319 L HA 0.283 4.623 4.340 -0.000 0.000 0.270 319 L C -1.347 175.572 176.870 0.082 0.000 1.205 319 L CA -1.404 53.483 54.840 0.078 0.000 0.828 319 L CB 0.063 42.180 42.059 0.096 0.000 1.101 319 L HN -0.037 nan 8.230 nan 0.000 0.479 320 P HA 0.106 nan 4.420 nan 0.000 0.271 320 P C -0.824 176.539 177.300 0.105 0.000 1.218 320 P CA -0.193 62.954 63.100 0.079 0.000 0.780 320 P CB 0.944 32.688 31.700 0.073 0.000 0.901 321 V N -0.748 119.220 119.914 0.091 0.000 3.046 321 V HA 0.761 4.881 4.120 -0.000 0.000 0.316 321 V C 0.229 176.358 176.094 0.058 0.000 1.104 321 V CA -0.776 61.589 62.300 0.108 0.000 1.006 321 V CB 1.338 33.222 31.823 0.102 0.000 1.058 321 V HN 0.639 nan 8.190 nan 0.000 0.440 322 T N -1.477 113.098 114.554 0.035 0.000 2.732 322 T HA 0.239 4.589 4.350 -0.000 0.000 0.287 322 T C 0.552 175.156 174.700 -0.160 0.000 0.993 322 T CA 0.206 62.252 62.100 -0.090 0.000 0.966 322 T CB 0.391 69.137 68.868 -0.203 0.000 1.047 322 T HN 0.721 nan 8.240 nan 0.000 0.527 323 D N -0.451 119.811 120.400 -0.230 0.000 2.350 323 D HA 0.013 4.653 4.640 -0.000 0.000 0.216 323 D C 1.405 177.548 176.300 -0.262 0.000 0.968 323 D CA 0.490 54.362 54.000 -0.212 0.000 0.894 323 D CB -0.150 40.532 40.800 -0.197 0.000 0.909 323 D HN 0.564 nan 8.370 nan 0.000 0.520 324 I N -0.930 119.392 120.570 -0.412 0.000 3.883 324 I HA 0.099 4.269 4.170 -0.000 0.000 0.326 324 I C 1.010 176.928 176.117 -0.333 0.000 1.283 324 I CA 0.421 61.441 61.300 -0.467 0.000 1.161 324 I CB 0.270 37.780 38.000 -0.817 0.000 1.012 324 I HN 0.092 nan 8.210 nan 0.000 0.421 325 G N 0.198 108.881 108.800 -0.196 0.000 2.144 325 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 325 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 325 G C -0.396 174.666 174.900 0.270 0.000 0.988 325 G CA -0.371 44.753 45.100 0.040 0.000 0.659 325 G HN 0.224 nan 8.290 nan 0.000 0.522 326 W N 1.570 122.894 121.300 0.039 0.000 2.338 326 W HA 0.547 5.207 4.660 -0.000 0.000 0.307 326 W C -1.816 174.762 176.519 0.098 0.000 1.167 326 W CA -3.398 53.988 57.345 0.068 0.000 1.208 326 W CB 0.431 29.942 29.460 0.085 0.000 1.228 326 W HN 0.031 nan 8.180 nan 0.000 0.499 327 P HA 0.085 nan 4.420 nan 0.000 0.275 327 P C -0.475 177.009 177.300 0.307 0.000 1.227 327 P CA -0.041 63.206 63.100 0.245 0.000 0.781 327 P CB 1.877 33.683 31.700 0.178 0.000 0.906 328 V N 1.445 121.537 119.914 0.297 0.000 2.370 328 V HA 0.477 4.597 4.120 -0.000 0.000 0.279 328 V C -0.371 175.869 176.094 0.244 0.000 1.029 328 V CA -0.301 62.217 62.300 0.364 0.000 0.870 328 V CB 0.536 32.627 31.823 0.447 0.000 0.984 328 V HN 0.687 nan 8.190 nan 0.000 0.451 329 E N 3.823 124.180 120.200 0.262 0.000 2.542 329 E HA 0.269 4.619 4.350 -0.000 0.000 0.298 329 E C 0.660 177.369 176.600 0.182 0.000 0.980 329 E CA 0.359 56.861 56.400 0.170 0.000 0.792 329 E CB 1.516 31.326 29.700 0.183 0.000 1.463 329 E HN 0.967 nan 8.360 nan 0.000 0.389 330 S N 3.985 119.630 115.700 -0.093 0.000 2.447 330 S HA -0.224 4.246 4.470 -0.000 0.000 0.233 330 S C 1.833 176.330 174.600 -0.172 0.000 1.006 330 S CA 0.829 58.807 58.200 -0.370 0.000 0.957 330 S CB -0.321 62.305 63.200 -0.956 0.000 0.773 330 S HN 0.678 nan 8.310 nan 0.000 0.507 331 R N 1.670 122.124 120.500 -0.076 0.000 2.154 331 R HA -0.058 4.281 4.340 -0.000 0.000 0.248 331 R C 2.317 178.591 176.300 -0.044 0.000 1.155 331 R CA 1.600 57.678 56.100 -0.036 0.000 0.979 331 R CB -1.723 28.585 30.300 0.013 0.000 0.869 331 R HN 0.435 nan 8.270 nan 0.000 0.452 332 G N 1.975 110.786 108.800 0.019 0.000 2.469 332 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 332 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 332 G C 1.469 176.032 174.900 -0.561 0.000 1.136 332 G CA 0.807 45.879 45.100 -0.047 0.000 0.759 332 G HN 0.270 nan 8.290 nan 0.000 0.562 333 L N -1.070 119.655 121.223 -0.830 0.000 2.056 333 L HA -0.041 4.298 4.340 -0.000 0.000 0.207 333 L C 2.574 179.220 176.870 -0.374 0.000 1.078 333 L CA 1.594 55.923 54.840 -0.852 0.000 0.749 333 L CB -0.328 41.386 42.059 -0.576 0.000 0.901 333 L HN 0.378 nan 8.230 nan 0.000 0.433 334 Y N 1.050 121.147 120.300 -0.338 0.000 2.145 334 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 334 Y C 2.602 178.370 175.900 -0.221 0.000 1.145 334 Y CA 1.771 59.758 58.100 -0.187 0.000 1.148 334 Y CB -0.085 38.300 38.460 -0.125 0.000 0.981 334 Y HN 0.190 nan 8.280 nan 0.000 0.507 335 E N -0.360 119.602 120.200 -0.396 0.000 2.051 335 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 335 E C 2.447 178.416 176.600 -1.053 0.000 0.991 335 E CA 1.451 57.406 56.400 -0.742 0.000 0.799 335 E CB -1.054 28.031 29.700 -1.025 0.000 0.748 335 E HN 0.440 nan 8.360 nan 0.000 0.449 336 V N 1.181 120.421 119.914 -1.124 0.000 2.427 336 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 336 V C 2.381 178.315 176.094 -0.267 0.000 1.051 336 V CA 1.173 63.052 62.300 -0.701 0.000 1.048 336 V CB -0.293 31.340 31.823 -0.317 0.000 0.666 336 V HN 0.179 nan 8.190 nan 0.000 0.456 337 L N -0.806 120.244 121.223 -0.289 0.000 2.083 337 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 337 L C 2.416 179.110 176.870 -0.293 0.000 1.083 337 L CA 1.987 56.691 54.840 -0.227 0.000 0.752 337 L CB -0.629 41.285 42.059 -0.241 0.000 0.899 337 L HN 0.436 nan 8.230 nan 0.000 0.433 338 H N -2.343 116.522 119.070 -0.341 0.000 2.395 338 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 338 H C 1.914 177.141 175.328 -0.168 0.000 1.070 338 H CA 1.764 57.632 56.048 -0.301 0.000 1.356 338 H CB -0.010 29.500 29.762 -0.421 0.000 1.401 338 H HN 0.253 nan 8.280 nan 0.000 0.524 339 Y N 1.022 121.221 120.300 -0.168 0.000 2.165 339 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 339 Y C 1.773 177.626 175.900 -0.078 0.000 1.155 339 Y CA 1.332 59.387 58.100 -0.075 0.000 1.164 339 Y CB -0.386 38.063 38.460 -0.018 0.000 0.978 339 Y HN 0.110 nan 8.280 nan 0.000 0.513 340 L N 0.626 121.881 121.223 0.053 0.000 2.549 340 L HA -0.197 4.143 4.340 -0.000 0.000 0.230 340 L C 1.857 178.644 176.870 -0.139 0.000 1.162 340 L CA 0.517 55.368 54.840 0.019 0.000 0.834 340 L CB -0.503 41.642 42.059 0.144 0.000 0.947 340 L HN 0.303 nan 8.230 nan 0.000 0.452 341 Q N 0.834 120.516 119.800 -0.197 0.000 2.500 341 Q HA -0.148 4.192 4.340 -0.000 0.000 0.213 341 Q C 1.936 177.771 176.000 -0.274 0.000 0.974 341 Q CA 0.753 56.434 55.803 -0.204 0.000 0.918 341 Q CB -0.199 28.431 28.738 -0.181 0.000 0.980 341 Q HN 0.655 nan 8.270 nan 0.000 0.505 342 K N -1.020 119.108 120.400 -0.453 0.000 2.362 342 K HA -0.126 4.194 4.320 -0.000 0.000 0.200 342 K C 0.455 176.681 176.600 -0.624 0.000 1.046 342 K CA 1.009 56.950 56.287 -0.578 0.000 0.952 342 K CB -0.102 31.907 32.500 -0.819 0.000 0.753 342 K HN 0.137 nan 8.250 nan 0.000 0.466 343 Y N 1.182 121.334 120.300 -0.246 0.000 2.485 343 Y HA 0.309 4.859 4.550 -0.000 0.000 0.260 343 Y C 0.968 176.686 175.900 -0.304 0.000 1.173 343 Y CA 0.054 57.946 58.100 -0.347 0.000 1.252 343 Y CB 0.659 38.703 38.460 -0.694 0.000 1.123 343 Y HN 0.361 nan 8.280 nan 0.000 0.524 344 G N 0.918 109.649 108.800 -0.116 0.000 2.663 344 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.686 344 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.686 344 G C -0.691 174.170 174.900 -0.064 0.000 1.288 344 G CA -0.906 44.154 45.100 -0.067 0.000 0.836 344 G HN 0.181 nan 8.290 nan 0.000 0.584 345 N N 0.846 119.528 118.700 -0.028 0.000 3.178 345 N HA 0.244 4.984 4.740 -0.000 0.000 0.300 345 N C 1.162 176.743 175.510 0.117 0.000 1.242 345 N CA 0.029 53.065 53.050 -0.024 0.000 1.192 345 N CB -0.866 37.567 38.487 -0.090 0.000 1.463 345 N HN 0.782 nan 8.380 nan 0.000 0.539 346 I N -2.081 118.527 120.570 0.064 0.000 2.823 346 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 346 I C -0.113 176.092 176.117 0.147 0.000 1.091 346 I CA -0.678 60.691 61.300 0.115 0.000 1.365 346 I CB 0.569 38.612 38.000 0.072 0.000 1.427 346 I HN -0.042 nan 8.210 nan 0.000 0.583 347 D N 4.689 125.182 120.400 0.156 0.000 2.383 347 D HA 0.476 5.116 4.640 -0.000 0.000 0.252 347 D C -0.272 176.115 176.300 0.145 0.000 1.166 347 D CA 0.440 54.514 54.000 0.125 0.000 0.879 347 D CB 0.904 41.794 40.800 0.149 0.000 1.164 347 D HN 0.378 nan 8.370 nan 0.000 0.462 348 I N 2.510 123.105 120.570 0.041 0.000 2.545 348 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 348 I C -0.927 175.168 176.117 -0.037 0.000 1.040 348 I CA -0.979 60.376 61.300 0.091 0.000 1.068 348 I CB 1.406 39.449 38.000 0.071 0.000 1.251 348 I HN 0.174 nan 8.210 nan 0.000 0.424 349 Y N 5.207 125.555 120.300 0.079 0.000 2.409 349 Y HA 0.429 4.979 4.550 -0.000 0.000 0.343 349 Y C 0.060 175.962 175.900 0.003 0.000 0.973 349 Y CA -1.002 57.102 58.100 0.007 0.000 1.064 349 Y CB 1.770 40.206 38.460 -0.041 0.000 1.207 349 Y HN 0.252 nan 8.280 nan 0.000 0.452 350 I N 3.753 124.403 120.570 0.134 0.000 2.311 350 I HA 0.027 4.197 4.170 -0.000 0.000 0.297 350 I C 1.237 177.342 176.117 -0.020 0.000 1.131 350 I CA 0.069 61.431 61.300 0.104 0.000 1.289 350 I CB -0.151 37.978 38.000 0.215 0.000 1.446 350 I HN 0.784 nan 8.210 nan 0.000 0.524 351 T N 2.180 116.722 114.554 -0.019 0.000 3.055 351 T HA 0.110 4.460 4.350 -0.000 0.000 0.265 351 T C 0.593 175.273 174.700 -0.033 0.000 1.111 351 T CA 0.480 62.523 62.100 -0.096 0.000 1.118 351 T CB 0.178 69.001 68.868 -0.075 0.000 0.909 351 T HN 0.576 nan 8.240 nan 0.000 0.501 352 E N 0.760 120.939 120.200 -0.035 0.000 2.321 352 E HA 0.427 4.777 4.350 -0.000 0.000 0.281 352 E C -1.461 175.020 176.600 -0.198 0.000 0.910 352 E CA -0.677 55.719 56.400 -0.006 0.000 0.770 352 E CB 1.702 31.414 29.700 0.021 0.000 1.225 352 E HN 0.227 nan 8.360 nan 0.000 0.417 353 N N 2.128 120.735 118.700 -0.155 0.000 2.648 353 N HA 0.469 5.209 4.740 -0.000 0.000 0.272 353 N C -1.342 174.278 175.510 0.183 0.000 1.118 353 N CA -0.186 52.794 53.050 -0.117 0.000 0.973 353 N CB 1.871 40.447 38.487 0.148 0.000 1.565 353 N HN 0.655 nan 8.380 nan 0.000 0.542 354 G N 1.063 110.036 108.800 0.288 0.000 2.489 354 G HA2 0.784 4.744 3.960 -0.000 0.000 0.305 354 G HA3 0.784 4.744 3.960 -0.000 0.000 0.305 354 G C -2.059 172.824 174.900 -0.028 0.000 1.311 354 G CA -0.140 45.156 45.100 0.327 0.000 0.813 354 G HN 0.677 nan 8.290 nan 0.000 0.480 355 A N -1.608 121.072 122.820 -0.235 0.000 2.572 355 A HA 0.609 4.928 4.320 -0.000 0.000 0.295 355 A C -0.647 176.404 177.584 -0.890 0.000 1.072 355 A CA -0.121 51.542 52.037 -0.622 0.000 0.691 355 A CB 1.336 19.760 19.000 -0.959 0.000 1.291 355 A HN 2.035 nan 8.150 nan 0.000 0.404 356 C N 3.902 122.442 119.300 -1.266 0.000 2.289 356 C HA 0.648 5.108 4.460 -0.000 0.000 0.340 356 C C -0.680 173.958 174.990 -0.587 0.000 1.152 356 C CA -0.343 57.924 59.018 -1.250 0.000 1.650 356 C CB -2.193 24.777 27.740 -1.282 0.000 2.203 356 C HN 0.463 nan 8.230 nan 0.000 0.511 357 I N 7.526 127.858 120.570 -0.396 0.000 2.439 357 I HA 0.282 4.452 4.170 -0.000 0.000 0.283 357 I C 0.376 176.406 176.117 -0.145 0.000 1.023 357 I CA -0.074 61.096 61.300 -0.217 0.000 1.100 357 I CB 1.236 39.145 38.000 -0.151 0.000 1.238 357 I HN 0.611 nan 8.210 nan 0.000 0.445 358 N N 3.494 122.125 118.700 -0.115 0.000 2.485 358 N HA -0.014 4.726 4.740 -0.000 0.000 0.199 358 N C -0.102 175.408 175.510 -0.001 0.000 1.236 358 N CA 0.128 53.148 53.050 -0.050 0.000 0.852 358 N CB 0.034 38.489 38.487 -0.052 0.000 1.018 358 N HN 0.471 nan 8.380 nan 0.000 0.457 359 D N 1.512 121.906 120.400 -0.010 0.000 2.506 359 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 359 D C 0.821 177.132 176.300 0.018 0.000 1.143 359 D CA 0.855 54.852 54.000 -0.004 0.000 0.871 359 D CB 1.328 42.118 40.800 -0.016 0.000 1.190 359 D HN 0.176 nan 8.370 nan 0.000 0.459 360 E N 0.152 120.338 120.200 -0.023 0.000 2.390 360 E HA 0.352 4.702 4.350 -0.000 0.000 0.249 360 E C -0.385 176.078 176.600 -0.228 0.000 0.981 360 E CA -1.025 55.312 56.400 -0.105 0.000 0.860 360 E CB 1.257 30.942 29.700 -0.025 0.000 1.278 360 E HN 0.061 nan 8.360 nan 0.000 0.416 361 V N 1.608 121.287 119.914 -0.392 0.000 2.439 361 V HA 0.107 4.227 4.120 -0.000 0.000 0.271 361 V C -0.077 175.929 176.094 -0.147 0.000 1.040 361 V CA -0.047 62.079 62.300 -0.290 0.000 1.002 361 V CB 0.544 32.165 31.823 -0.336 0.000 1.000 361 V HN 0.261 nan 8.190 nan 0.000 0.477 362 V N 5.459 125.313 119.914 -0.101 0.000 2.525 362 V HA 0.477 4.597 4.120 -0.000 0.000 0.299 362 V C 0.233 176.296 176.094 -0.052 0.000 1.034 362 V CA -0.898 61.364 62.300 -0.063 0.000 0.863 362 V CB 1.619 33.414 31.823 -0.046 0.000 0.999 362 V HN 0.965 nan 8.190 nan 0.000 0.423 363 N N 3.883 122.556 118.700 -0.045 0.000 2.740 363 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 363 N C 1.159 176.644 175.510 -0.042 0.000 1.062 363 N CA 1.489 54.517 53.050 -0.038 0.000 0.704 363 N CB -1.013 37.456 38.487 -0.030 0.000 0.968 363 N HN 1.610 nan 8.380 nan 0.000 0.547 364 G N -0.917 107.852 108.800 -0.052 0.000 2.184 364 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 364 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 364 G C 0.006 174.876 174.900 -0.050 0.000 0.975 364 G CA 1.312 46.381 45.100 -0.052 0.000 0.642 364 G HN 0.921 nan 8.290 nan 0.000 0.536 365 K N -1.591 118.777 120.400 -0.054 0.000 2.533 365 K HA 0.758 5.078 4.320 -0.000 0.000 0.272 365 K C -1.094 175.472 176.600 -0.057 0.000 0.985 365 K CA -1.090 55.177 56.287 -0.033 0.000 0.876 365 K CB 2.210 34.708 32.500 -0.002 0.000 1.452 365 K HN 0.299 nan 8.250 nan 0.000 0.439 366 V N 1.975 121.869 119.914 -0.033 0.000 2.313 366 V HA 0.162 4.282 4.120 -0.000 0.000 0.278 366 V C -0.436 175.662 176.094 0.006 0.000 1.017 366 V CA -0.512 61.761 62.300 -0.046 0.000 0.823 366 V CB 0.791 32.581 31.823 -0.054 0.000 1.010 366 V HN 0.776 nan 8.190 nan 0.000 0.443 367 Q N 3.763 123.560 119.800 -0.005 0.000 3.254 367 Q HA 0.100 4.440 4.340 -0.000 0.000 0.315 367 Q C 0.458 176.459 176.000 0.000 0.000 1.405 367 Q CA -0.226 55.581 55.803 0.007 0.000 0.966 367 Q CB -0.238 28.498 28.738 -0.003 0.000 1.706 367 Q HN 0.847 nan 8.270 nan 0.000 0.525 368 D N -0.367 120.038 120.400 0.008 0.000 2.801 368 D HA -0.047 4.593 4.640 -0.000 0.000 0.232 368 D C -0.285 175.998 176.300 -0.028 0.000 1.128 368 D CA -0.127 53.867 54.000 -0.009 0.000 1.003 368 D CB 0.396 41.194 40.800 -0.002 0.000 1.110 368 D HN 0.220 nan 8.370 nan 0.000 0.477 369 D N 1.050 121.431 120.400 -0.033 0.000 2.182 369 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 369 D C 1.725 177.983 176.300 -0.070 0.000 0.986 369 D CA 0.850 54.815 54.000 -0.058 0.000 0.847 369 D CB 0.099 40.876 40.800 -0.038 0.000 0.942 369 D HN 0.407 nan 8.370 nan 0.000 0.467 370 R N 0.212 120.688 120.500 -0.041 0.000 2.148 370 R HA -0.016 4.324 4.340 -0.000 0.000 0.227 370 R C 2.284 178.583 176.300 -0.002 0.000 1.103 370 R CA 0.664 56.755 56.100 -0.016 0.000 0.983 370 R CB -0.021 30.272 30.300 -0.011 0.000 0.874 370 R HN 0.072 nan 8.270 nan 0.000 0.451 371 R N 0.963 121.440 120.500 -0.038 0.000 2.075 371 R HA 0.014 4.354 4.340 -0.000 0.000 0.226 371 R C 1.921 178.182 176.300 -0.064 0.000 1.114 371 R CA 1.080 57.167 56.100 -0.023 0.000 0.972 371 R CB -0.126 30.154 30.300 -0.034 0.000 0.869 371 R HN 0.121 nan 8.270 nan 0.000 0.437 372 I N 0.434 120.872 120.570 -0.220 0.000 2.208 372 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 372 I C 2.459 178.260 176.117 -0.527 0.000 1.097 372 I CA 1.491 62.414 61.300 -0.629 0.000 1.363 372 I CB -0.396 37.184 38.000 -0.700 0.000 1.051 372 I HN 0.315 nan 8.210 nan 0.000 0.413 373 S N 0.224 115.787 115.700 -0.229 0.000 2.348 373 S HA -0.279 4.191 4.470 -0.000 0.000 0.221 373 S C 2.186 176.802 174.600 0.027 0.000 1.033 373 S CA 1.489 59.630 58.200 -0.098 0.000 1.010 373 S CB -0.509 62.675 63.200 -0.026 0.000 0.891 373 S HN 0.479 nan 8.310 nan 0.000 0.442 374 Y N 1.760 122.065 120.300 0.009 0.000 2.081 374 Y HA -0.183 4.367 4.550 -0.000 0.000 0.280 374 Y C 2.305 178.369 175.900 0.273 0.000 1.163 374 Y CA 2.349 60.549 58.100 0.166 0.000 1.135 374 Y CB -0.484 38.054 38.460 0.130 0.000 0.970 374 Y HN 0.291 nan 8.280 nan 0.000 0.498 375 M N -0.298 119.532 119.600 0.383 0.000 2.117 375 M HA -0.299 4.181 4.480 -0.000 0.000 0.262 375 M C 2.351 178.832 176.300 0.301 0.000 1.065 375 M CA 1.925 57.459 55.300 0.390 0.000 1.114 375 M CB -0.547 32.284 32.600 0.385 0.000 1.361 375 M HN 0.395 nan 8.290 nan 0.000 0.408 376 Q N 0.270 120.144 119.800 0.123 0.000 2.061 376 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 376 Q C 2.064 178.091 176.000 0.044 0.000 0.984 376 Q CA 1.745 57.648 55.803 0.165 0.000 0.846 376 Q CB -0.104 28.659 28.738 0.041 0.000 0.902 376 Q HN 0.587 nan 8.270 nan 0.000 0.421 377 Q N -0.943 118.844 119.800 -0.022 0.000 2.096 377 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 377 Q C 1.761 177.608 176.000 -0.256 0.000 0.982 377 Q CA 1.600 57.307 55.803 -0.160 0.000 0.850 377 Q CB -0.093 28.515 28.738 -0.216 0.000 0.901 377 Q HN 0.538 nan 8.270 nan 0.000 0.422 378 H N -0.124 118.899 119.070 -0.079 0.000 2.403 378 H HA 0.005 4.561 4.556 -0.000 0.000 0.298 378 H C 1.870 177.217 175.328 0.031 0.000 1.059 378 H CA 0.902 56.947 56.048 -0.006 0.000 1.363 378 H CB 0.039 29.846 29.762 0.076 0.000 1.410 378 H HN 0.100 nan 8.280 nan 0.000 0.528 379 L N -0.310 120.979 121.223 0.111 0.000 2.191 379 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 379 L C 2.067 178.995 176.870 0.096 0.000 1.103 379 L CA 0.450 55.349 54.840 0.099 0.000 0.769 379 L CB -0.232 41.905 42.059 0.129 0.000 0.908 379 L HN 0.187 nan 8.230 nan 0.000 0.438 380 V N -0.632 119.193 119.914 -0.148 0.000 2.307 380 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 380 V C 2.539 178.524 176.094 -0.182 0.000 1.045 380 V CA 1.457 63.488 62.300 -0.449 0.000 1.024 380 V CB -0.414 31.051 31.823 -0.596 0.000 0.651 380 V HN 0.477 nan 8.190 nan 0.000 0.449 381 Q N -0.415 119.321 119.800 -0.107 0.000 2.170 381 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 381 Q C 2.344 178.397 176.000 0.087 0.000 0.976 381 Q CA 1.444 57.234 55.803 -0.022 0.000 0.858 381 Q CB -0.710 27.998 28.738 -0.051 0.000 0.907 381 Q HN 0.564 nan 8.270 nan 0.000 0.433 382 V N 0.907 120.895 119.914 0.124 0.000 2.307 382 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 382 V C 2.454 178.616 176.094 0.113 0.000 1.045 382 V CA 1.924 64.335 62.300 0.184 0.000 1.024 382 V CB -0.815 31.188 31.823 0.299 0.000 0.651 382 V HN 0.483 nan 8.190 nan 0.000 0.449 383 H N 0.703 119.728 119.070 -0.075 0.000 2.352 383 H HA -0.189 4.366 4.556 -0.000 0.000 0.299 383 H C 2.550 177.840 175.328 -0.063 0.000 1.097 383 H CA 2.278 58.122 56.048 -0.339 0.000 1.311 383 H CB 0.032 29.471 29.762 -0.539 0.000 1.377 383 H HN 0.289 nan 8.280 nan 0.000 0.504 384 R N 0.027 120.585 120.500 0.096 0.000 2.080 384 R HA -0.133 4.206 4.340 -0.000 0.000 0.236 384 R C 2.659 179.072 176.300 0.187 0.000 1.137 384 R CA 2.605 58.791 56.100 0.143 0.000 0.943 384 R CB -0.366 29.986 30.300 0.088 0.000 0.846 384 R HN 0.542 nan 8.270 nan 0.000 0.431 385 T N -1.004 113.662 114.554 0.186 0.000 2.788 385 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 385 T C 2.025 176.701 174.700 -0.040 0.000 1.044 385 T CA 1.410 63.552 62.100 0.070 0.000 1.139 385 T CB -0.419 68.424 68.868 -0.042 0.000 0.867 385 T HN 0.230 nan 8.240 nan 0.000 0.454 386 I N 0.937 121.478 120.570 -0.050 0.000 2.208 386 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 386 I C 2.488 178.486 176.117 -0.197 0.000 1.097 386 I CA 1.592 62.825 61.300 -0.111 0.000 1.363 386 I CB -0.450 37.476 38.000 -0.124 0.000 1.051 386 I HN 0.290 nan 8.210 nan 0.000 0.413 387 H N -0.271 118.650 119.070 -0.249 0.000 2.547 387 H HA -0.051 4.505 4.556 -0.000 0.000 0.272 387 H C 1.196 176.483 175.328 -0.069 0.000 0.989 387 H CA 0.697 56.634 56.048 -0.185 0.000 1.214 387 H CB -0.200 29.418 29.762 -0.241 0.000 1.389 387 H HN 0.170 nan 8.280 nan 0.000 0.577 388 D N -0.919 119.499 120.400 0.030 0.000 2.340 388 D HA 0.104 4.744 4.640 -0.000 0.000 0.220 388 D C 1.422 177.685 176.300 -0.061 0.000 1.039 388 D CA 0.773 54.807 54.000 0.057 0.000 0.866 388 D CB 0.227 41.151 40.800 0.206 0.000 0.913 388 D HN 0.539 nan 8.370 nan 0.000 0.523 389 G N 0.494 109.208 108.800 -0.144 0.000 2.176 389 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 389 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 389 G C 0.372 175.070 174.900 -0.337 0.000 0.979 389 G CA -0.056 44.919 45.100 -0.208 0.000 0.641 389 G HN 0.318 nan 8.290 nan 0.000 0.530 390 L N 0.930 121.967 121.223 -0.309 0.000 2.417 390 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 390 L C 0.787 177.484 176.870 -0.288 0.000 1.158 390 L CA -0.821 53.798 54.840 -0.369 0.000 0.819 390 L CB 0.430 42.287 42.059 -0.336 0.000 1.112 390 L HN 0.078 nan 8.230 nan 0.000 0.458 391 H N 2.320 121.337 119.070 -0.088 0.000 2.768 391 H HA 0.149 4.705 4.556 -0.000 0.000 0.228 391 H C -0.398 174.880 175.328 -0.083 0.000 1.812 391 H CA -0.203 55.803 56.048 -0.069 0.000 1.273 391 H CB -0.394 29.337 29.762 -0.052 0.000 1.631 391 H HN 0.154 nan 8.280 nan 0.000 0.526 392 V N 2.790 122.726 119.914 0.037 0.000 2.405 392 V HA 0.011 4.131 4.120 -0.000 0.000 0.264 392 V C 1.334 177.447 176.094 0.031 0.000 1.048 392 V CA -0.274 62.043 62.300 0.028 0.000 0.966 392 V CB 1.137 33.020 31.823 0.100 0.000 1.015 392 V HN 0.379 nan 8.190 nan 0.000 0.477 393 K N 3.322 123.542 120.400 -0.300 0.000 2.314 393 K HA 0.291 4.611 4.320 -0.000 0.000 0.198 393 K C 0.783 176.916 176.600 -0.779 0.000 1.045 393 K CA 0.640 56.602 56.287 -0.542 0.000 0.988 393 K CB 0.874 32.728 32.500 -1.077 0.000 0.783 393 K HN 0.802 nan 8.250 nan 0.000 0.484 394 G N -0.207 108.140 108.800 -0.754 0.000 2.559 394 G HA2 0.392 4.352 3.960 -0.000 0.000 0.291 394 G HA3 0.392 4.352 3.960 -0.000 0.000 0.291 394 G C -2.257 172.432 174.900 -0.351 0.000 1.424 394 G CA -0.643 43.835 45.100 -1.036 0.000 0.786 394 G HN 0.019 nan 8.290 nan 0.000 0.485 395 Y N -0.035 120.019 120.300 -0.410 0.000 2.433 395 Y HA 0.760 5.310 4.550 -0.000 0.000 0.337 395 Y C -0.926 175.065 175.900 0.153 0.000 1.026 395 Y CA -1.029 57.100 58.100 0.047 0.000 1.037 395 Y CB 2.124 40.756 38.460 0.286 0.000 1.245 395 Y HN 0.522 nan 8.280 nan 0.000 0.443 396 M N 5.944 125.371 119.600 -0.288 0.000 2.134 396 M HA 0.609 5.089 4.480 -0.000 0.000 0.310 396 M C -0.471 175.635 176.300 -0.323 0.000 0.966 396 M CA -0.717 54.490 55.300 -0.155 0.000 0.922 396 M CB 1.850 34.367 32.600 -0.138 0.000 1.537 396 M HN 0.814 nan 8.290 nan 0.000 0.424 397 A N 3.976 126.717 122.820 -0.131 0.000 2.491 397 A HA 0.034 4.354 4.320 -0.000 0.000 0.261 397 A C -0.611 176.980 177.584 0.012 0.000 1.101 397 A CA -0.234 51.735 52.037 -0.114 0.000 0.772 397 A CB 0.127 19.016 19.000 -0.186 0.000 1.043 397 A HN 0.963 nan 8.150 nan 0.000 0.501 398 W N 3.570 124.863 121.300 -0.011 0.000 2.529 398 W HA 0.334 4.993 4.660 -0.000 0.000 0.319 398 W C -0.437 176.171 176.519 0.147 0.000 1.362 398 W CA 0.703 58.103 57.345 0.092 0.000 1.348 398 W CB 0.179 29.767 29.460 0.213 0.000 1.403 398 W HN 0.878 nan 8.180 nan 0.000 0.519 399 S N 4.316 119.333 115.700 -1.138 0.000 3.027 399 S HA -0.262 4.208 4.470 -0.000 0.000 0.809 399 S C 0.312 174.696 174.600 -0.360 0.000 0.729 399 S CA 0.077 57.692 58.200 -0.975 0.000 1.515 399 S CB -1.049 61.565 63.200 -0.977 0.000 1.062 399 S HN 0.715 nan 8.310 nan 0.000 0.682 400 L N 4.936 126.011 121.223 -0.246 0.000 2.093 400 L HA 0.327 4.667 4.340 -0.000 0.000 0.208 400 L C 0.458 177.290 176.870 -0.063 0.000 1.085 400 L CA 1.991 56.794 54.840 -0.061 0.000 0.755 400 L CB 0.029 42.100 42.059 0.020 0.000 0.904 400 L HN 0.673 nan 8.230 nan 0.000 0.435 401 L N -0.736 120.422 121.223 -0.109 0.000 2.354 401 L HA 0.406 4.746 4.340 -0.000 0.000 0.264 401 L C -0.630 176.207 176.870 -0.054 0.000 1.008 401 L CA -1.188 53.608 54.840 -0.073 0.000 0.819 401 L CB 1.330 43.364 42.059 -0.042 0.000 1.339 401 L HN -0.196 nan 8.230 nan 0.000 0.420 402 D N 1.446 121.835 120.400 -0.018 0.000 2.399 402 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 402 D C -0.580 175.885 176.300 0.276 0.000 1.133 402 D CA 0.365 54.425 54.000 0.101 0.000 0.890 402 D CB 0.950 41.773 40.800 0.039 0.000 1.201 402 D HN 0.641 nan 8.370 nan 0.000 0.432 403 N N -0.654 118.213 118.700 0.278 0.000 3.344 403 N HA 0.259 4.999 4.740 -0.000 0.000 0.296 403 N C -1.303 174.167 175.510 -0.066 0.000 1.571 403 N CA -0.886 52.296 53.050 0.220 0.000 0.844 403 N CB 0.197 38.694 38.487 0.017 0.000 1.718 403 N HN 0.212 nan 8.380 nan 0.000 0.589 404 F N 1.262 120.929 119.950 -0.471 0.000 2.468 404 F HA 0.301 4.828 4.527 -0.000 0.000 0.356 404 F C 0.303 175.620 175.800 -0.805 0.000 1.167 404 F CA -0.416 56.962 58.000 -1.036 0.000 1.135 404 F CB 0.197 38.594 39.000 -1.004 0.000 1.197 404 F HN 0.332 nan 8.300 nan 0.000 0.569 405 E N 7.389 126.987 120.200 -1.003 0.000 2.676 405 E HA -0.011 4.339 4.350 -0.000 0.000 0.318 405 E C 0.087 176.244 176.600 -0.738 0.000 1.514 405 E CA 0.183 56.157 56.400 -0.711 0.000 1.667 405 E CB -0.599 28.958 29.700 -0.240 0.000 1.336 405 E HN 0.844 nan 8.360 nan 0.000 0.492 406 W N 0.628 121.302 121.300 -1.044 0.000 1.933 406 W HA -0.461 4.198 4.660 -0.000 0.000 0.279 406 W C 1.924 178.233 176.519 -0.351 0.000 1.131 406 W CA 0.880 57.746 57.345 -0.798 0.000 1.071 406 W CB -1.562 27.625 29.460 -0.455 0.000 0.881 406 W HN 0.367 nan 8.180 nan 0.000 0.547 407 A N 0.063 123.178 122.820 0.492 0.000 2.125 407 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 407 A C 1.628 179.368 177.584 0.260 0.000 1.156 407 A CA 2.030 54.356 52.037 0.482 0.000 0.671 407 A CB -0.562 18.805 19.000 0.613 0.000 0.794 407 A HN 0.482 nan 8.150 nan 0.000 0.459 408 E N -0.888 119.372 120.200 0.099 0.000 2.385 408 E HA 0.242 4.592 4.350 -0.000 0.000 0.194 408 E C 1.439 178.025 176.600 -0.022 0.000 1.013 408 E CA 0.686 57.099 56.400 0.022 0.000 0.866 408 E CB -0.325 29.360 29.700 -0.025 0.000 0.832 408 E HN 0.672 nan 8.360 nan 0.000 0.500 409 G N 1.061 109.706 108.800 -0.257 0.000 2.525 409 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 409 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 409 G C 0.257 174.851 174.900 -0.509 0.000 1.238 409 G CA 0.201 45.113 45.100 -0.312 0.000 0.926 409 G HN 0.261 nan 8.290 nan 0.000 0.574 410 Y N 1.188 121.461 120.300 -0.046 0.000 2.466 410 Y HA 0.196 4.745 4.550 -0.000 0.000 0.272 410 Y C 2.439 178.331 175.900 -0.012 0.000 1.169 410 Y CA 0.688 58.683 58.100 -0.175 0.000 1.285 410 Y CB -0.013 38.172 38.460 -0.457 0.000 1.078 410 Y HN 0.443 nan 8.280 nan 0.000 0.523 411 N N 0.161 118.926 118.700 0.109 0.000 2.453 411 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 411 N C -0.131 175.361 175.510 -0.029 0.000 1.041 411 N CA 0.893 53.968 53.050 0.043 0.000 0.900 411 N CB 0.070 38.472 38.487 -0.142 0.000 0.961 411 N HN -0.026 nan 8.380 nan 0.000 0.443 412 M N 1.074 120.660 119.600 -0.024 0.000 2.085 412 M HA 0.312 4.792 4.480 -0.000 0.000 0.309 412 M C -0.761 175.578 176.300 0.065 0.000 0.947 412 M CA -0.237 55.044 55.300 -0.033 0.000 0.918 412 M CB 1.694 34.276 32.600 -0.029 0.000 1.504 412 M HN -0.104 nan 8.290 nan 0.000 0.420 413 R N 2.093 122.593 120.500 -0.001 0.000 2.229 413 R HA 0.429 4.768 4.340 -0.000 0.000 0.328 413 R C -0.273 176.002 176.300 -0.042 0.000 1.009 413 R CA -0.124 56.010 56.100 0.056 0.000 0.864 413 R CB 1.054 31.381 30.300 0.045 0.000 1.085 413 R HN 0.524 nan 8.270 nan 0.000 0.453 414 F N 0.203 120.147 119.950 -0.010 0.000 2.706 414 F HA 0.254 4.780 4.527 -0.000 0.000 0.313 414 F C 1.416 177.178 175.800 -0.065 0.000 1.096 414 F CA -0.335 57.665 58.000 0.000 0.000 1.219 414 F CB 1.024 40.113 39.000 0.148 0.000 1.051 414 F HN 0.626 nan 8.300 nan 0.000 0.568 415 G N -0.124 108.722 108.800 0.076 0.000 2.537 415 G HA2 0.316 4.276 3.960 -0.000 0.000 0.273 415 G HA3 0.316 4.276 3.960 -0.000 0.000 0.273 415 G C 0.698 175.606 174.900 0.013 0.000 1.189 415 G CA -0.420 44.677 45.100 -0.004 0.000 0.881 415 G HN 0.097 nan 8.290 nan 0.000 0.535 416 M N -0.116 119.494 119.600 0.017 0.000 2.510 416 M HA 0.282 4.762 4.480 -0.000 0.000 0.256 416 M C 0.122 176.464 176.300 0.071 0.000 1.132 416 M CA 0.833 56.176 55.300 0.072 0.000 1.105 416 M CB 0.232 32.897 32.600 0.107 0.000 1.375 416 M HN 0.236 nan 8.290 nan 0.000 0.477 417 I N 0.148 120.729 120.570 0.019 0.000 2.418 417 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 417 I C -0.028 176.069 176.117 -0.034 0.000 1.008 417 I CA -0.772 60.500 61.300 -0.046 0.000 1.104 417 I CB 1.319 39.272 38.000 -0.080 0.000 1.264 417 I HN 0.061 nan 8.210 nan 0.000 0.438 418 H N 6.673 125.674 119.070 -0.115 0.000 2.764 418 H HA 0.363 4.919 4.556 -0.000 0.000 0.341 418 H C -1.393 173.815 175.328 -0.200 0.000 1.072 418 H CA 0.040 56.011 56.048 -0.128 0.000 1.444 418 H CB 1.410 31.108 29.762 -0.106 0.000 1.458 418 H HN 0.276 nan 8.280 nan 0.000 0.572 419 V N 5.903 125.336 119.914 -0.801 0.000 2.444 419 V HA 0.028 4.148 4.120 -0.000 0.000 0.294 419 V C -0.010 175.408 176.094 -1.127 0.000 1.022 419 V CA -0.901 60.933 62.300 -0.776 0.000 0.850 419 V CB 1.663 33.033 31.823 -0.755 0.000 0.992 419 V HN 0.761 nan 8.190 nan 0.000 0.426 420 D N 3.955 124.010 120.400 -0.575 0.000 2.411 420 D HA 0.237 4.877 4.640 -0.000 0.000 0.225 420 D C 0.699 176.756 176.300 -0.405 0.000 1.156 420 D CA -0.320 53.469 54.000 -0.351 0.000 0.874 420 D CB 0.828 41.599 40.800 -0.049 0.000 1.034 420 D HN 0.370 nan 8.370 nan 0.000 0.502 421 F N 2.384 122.249 119.950 -0.142 0.000 2.529 421 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 421 F C 2.265 177.980 175.800 -0.141 0.000 1.114 421 F CA 0.541 58.425 58.000 -0.195 0.000 1.467 421 F CB -0.145 38.644 39.000 -0.352 0.000 1.096 421 F HN 0.300 nan 8.300 nan 0.000 0.586 422 R N -0.643 119.867 120.500 0.017 0.000 2.127 422 R HA -0.018 4.322 4.340 -0.000 0.000 0.217 422 R C 1.977 178.270 176.300 -0.012 0.000 1.074 422 R CA 1.740 57.846 56.100 0.009 0.000 0.991 422 R CB -0.450 29.858 30.300 0.013 0.000 0.895 422 R HN 0.367 nan 8.270 nan 0.000 0.450 423 T N -3.521 111.012 114.554 -0.035 0.000 2.975 423 T HA 0.092 4.442 4.350 -0.000 0.000 0.257 423 T C 0.666 175.335 174.700 -0.051 0.000 1.003 423 T CA -0.342 61.736 62.100 -0.037 0.000 0.932 423 T CB 0.687 69.533 68.868 -0.036 0.000 1.087 423 T HN -0.058 nan 8.240 nan 0.000 0.512 424 Q N -0.113 119.637 119.800 -0.083 0.000 2.374 424 Q HA -0.122 4.218 4.340 -0.000 0.000 0.218 424 Q C -0.054 175.882 176.000 -0.107 0.000 0.691 424 Q CA 0.459 56.205 55.803 -0.095 0.000 1.340 424 Q CB -2.552 26.165 28.738 -0.034 0.000 1.498 424 Q HN 0.584 nan 8.270 nan 0.000 0.739 425 V N 1.916 121.770 119.914 -0.100 0.000 2.585 425 V HA 0.078 4.198 4.120 -0.000 0.000 0.296 425 V C 0.903 176.942 176.094 -0.092 0.000 1.035 425 V CA 0.382 62.635 62.300 -0.078 0.000 1.084 425 V CB 0.808 32.601 31.823 -0.050 0.000 0.953 425 V HN 0.099 nan 8.190 nan 0.000 0.483 426 R N 2.936 123.385 120.500 -0.085 0.000 2.312 426 R HA 0.581 4.921 4.340 -0.000 0.000 0.311 426 R C -0.242 176.015 176.300 -0.072 0.000 1.004 426 R CA -0.094 55.950 56.100 -0.093 0.000 0.902 426 R CB 1.287 31.523 30.300 -0.107 0.000 1.073 426 R HN 0.752 nan 8.270 nan 0.000 0.457 427 T N 5.540 120.068 114.554 -0.044 0.000 2.963 427 T HA 0.315 4.665 4.350 -0.000 0.000 0.328 427 T C -2.585 172.052 174.700 -0.105 0.000 1.048 427 T CA -1.573 60.492 62.100 -0.058 0.000 1.033 427 T CB 1.578 70.423 68.868 -0.037 0.000 1.010 427 T HN 0.259 nan 8.240 nan 0.000 0.469 428 P HA 0.101 nan 4.420 nan 0.000 0.261 428 P C 0.094 177.269 177.300 -0.208 0.000 1.183 428 P CA -0.029 62.764 63.100 -0.512 0.000 0.761 428 P CB 0.537 31.492 31.700 -1.241 0.000 0.785 429 K N 2.599 122.950 120.400 -0.082 0.000 2.118 429 K HA 0.117 4.437 4.320 -0.000 0.000 0.240 429 K C 1.416 178.117 176.600 0.168 0.000 1.035 429 K CA -0.512 55.809 56.287 0.057 0.000 0.899 429 K CB 0.375 32.914 32.500 0.066 0.000 1.085 429 K HN 0.363 nan 8.250 nan 0.000 0.498 430 E N 0.666 120.993 120.200 0.213 0.000 2.153 430 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 430 E C 1.947 178.737 176.600 0.317 0.000 0.988 430 E CA 1.563 58.149 56.400 0.310 0.000 0.811 430 E CB -0.291 29.517 29.700 0.180 0.000 0.746 430 E HN 0.660 nan 8.360 nan 0.000 0.466 431 S N 0.138 115.973 115.700 0.225 0.000 2.399 431 S HA -0.201 4.269 4.470 -0.000 0.000 0.231 431 S C 2.108 176.934 174.600 0.378 0.000 1.022 431 S CA 0.933 59.299 58.200 0.277 0.000 0.983 431 S CB -0.667 62.625 63.200 0.154 0.000 0.803 431 S HN 0.359 nan 8.310 nan 0.000 0.480 432 Y N 1.915 122.254 120.300 0.065 0.000 2.114 432 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 432 Y C 2.059 177.908 175.900 -0.085 0.000 1.143 432 Y CA 1.593 59.647 58.100 -0.077 0.000 1.135 432 Y CB -0.780 37.461 38.460 -0.365 0.000 0.980 432 Y HN 0.216 nan 8.280 nan 0.000 0.499 433 Y N -1.694 118.859 120.300 0.423 0.000 2.274 433 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 433 Y C 2.291 178.266 175.900 0.124 0.000 1.145 433 Y CA 1.425 59.668 58.100 0.238 0.000 1.203 433 Y CB -1.259 37.337 38.460 0.228 0.000 0.984 433 Y HN 0.437 nan 8.280 nan 0.000 0.533 434 W N -0.571 120.826 121.300 0.162 0.000 2.379 434 W HA -0.281 4.379 4.660 -0.000 0.000 0.307 434 W C 2.241 178.768 176.519 0.013 0.000 1.200 434 W CA 1.600 58.990 57.345 0.075 0.000 1.297 434 W CB -0.985 28.530 29.460 0.092 0.000 1.140 434 W HN 0.137 nan 8.180 nan 0.000 0.507 435 Y N 1.677 121.870 120.300 -0.179 0.000 2.181 435 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 435 Y C 2.848 178.389 175.900 -0.599 0.000 1.146 435 Y CA 2.524 60.306 58.100 -0.529 0.000 1.164 435 Y CB -0.996 37.367 38.460 -0.163 0.000 0.982 435 Y HN 0.005 nan 8.280 nan 0.000 0.515 436 R N 0.361 120.596 120.500 -0.442 0.000 2.117 436 R HA -0.224 4.116 4.340 -0.000 0.000 0.243 436 R C 1.955 177.953 176.300 -0.504 0.000 1.143 436 R CA 1.888 57.691 56.100 -0.495 0.000 0.968 436 R CB -0.485 29.608 30.300 -0.346 0.000 0.863 436 R HN 0.481 nan 8.270 nan 0.000 0.444 437 N N -0.254 118.160 118.700 -0.478 0.000 2.106 437 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 437 N C 1.860 176.932 175.510 -0.729 0.000 1.029 437 N CA 1.517 54.260 53.050 -0.513 0.000 0.848 437 N CB 0.062 38.298 38.487 -0.418 0.000 1.007 437 N HN 0.056 nan 8.380 nan 0.000 0.423 438 V N 1.753 121.097 119.914 -0.950 0.000 2.261 438 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 438 V C 2.599 177.972 176.094 -1.200 0.000 1.047 438 V CA 1.791 63.451 62.300 -1.067 0.000 1.015 438 V CB -0.748 30.315 31.823 -1.267 0.000 0.642 438 V HN 0.278 nan 8.190 nan 0.000 0.446 439 V N -1.902 117.135 119.914 -1.460 0.000 2.515 439 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 439 V C 2.157 177.810 176.094 -0.735 0.000 1.058 439 V CA 2.308 63.687 62.300 -1.536 0.000 1.064 439 V CB -0.601 30.399 31.823 -1.371 0.000 0.675 439 V HN 0.482 nan 8.190 nan 0.000 0.461 440 S N 1.234 116.584 115.700 -0.583 0.000 2.395 440 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 440 S C 1.833 176.263 174.600 -0.284 0.000 1.027 440 S CA 1.386 59.382 58.200 -0.339 0.000 0.965 440 S CB -0.485 62.542 63.200 -0.290 0.000 0.812 440 S HN 0.669 nan 8.310 nan 0.000 0.482 441 N N 1.512 119.943 118.700 -0.448 0.000 2.376 441 N HA 0.035 4.775 4.740 -0.000 0.000 0.177 441 N C 0.551 175.912 175.510 -0.248 0.000 1.024 441 N CA 0.263 53.013 53.050 -0.500 0.000 0.893 441 N CB -0.469 37.310 38.487 -1.180 0.000 0.980 441 N HN 0.518 nan 8.380 nan 0.000 0.439 442 N N -0.600 117.984 118.700 -0.193 0.000 2.782 442 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 442 N C -1.277 174.506 175.510 0.456 0.000 1.101 442 N CA 0.376 53.557 53.050 0.217 0.000 0.764 442 N CB -0.733 37.974 38.487 0.367 0.000 1.122 442 N HN 0.402 nan 8.380 nan 0.000 0.561 443 W N -0.193 121.198 121.300 0.152 0.000 3.217 443 W HA 0.649 5.309 4.660 -0.000 0.000 0.323 443 W C -1.655 174.944 176.519 0.134 0.000 1.216 443 W CA -0.958 56.539 57.345 0.253 0.000 1.194 443 W CB 0.394 29.947 29.460 0.155 0.000 1.397 443 W HN -0.075 nan 8.180 nan 0.000 0.537 444 L N 1.907 123.455 121.223 0.542 0.000 2.333 444 L HA 0.685 5.025 4.340 -0.000 0.000 0.269 444 L C -0.732 176.456 176.870 0.531 0.000 1.010 444 L CA -0.457 54.604 54.840 0.368 0.000 0.818 444 L CB 2.093 44.389 42.059 0.396 0.000 1.306 444 L HN 0.581 nan 8.230 nan 0.000 0.430 445 E N 1.556 122.010 120.200 0.423 0.000 2.263 445 E HA 0.458 4.808 4.350 -0.000 0.000 0.268 445 E C -1.509 175.303 176.600 0.353 0.000 0.884 445 E CA -0.617 56.024 56.400 0.401 0.000 0.766 445 E CB 1.452 31.368 29.700 0.360 0.000 1.196 445 E HN 0.758 nan 8.360 nan 0.000 0.416 446 T N 2.184 116.954 114.554 0.360 0.000 2.837 446 T HA 0.628 4.978 4.350 -0.000 0.000 0.285 446 T C 0.044 174.851 174.700 0.178 0.000 0.984 446 T CA -0.822 61.439 62.100 0.268 0.000 1.049 446 T CB 1.290 70.341 68.868 0.304 0.000 0.947 446 T HN 0.403 nan 8.240 nan 0.000 0.472 447 R N 0.941 121.522 120.500 0.135 0.000 2.808 447 R HA 0.558 4.898 4.340 -0.000 0.000 0.272 447 R C -0.109 176.233 176.300 0.070 0.000 0.995 447 R CA -1.218 54.939 56.100 0.095 0.000 0.917 447 R CB 1.747 32.105 30.300 0.096 0.000 1.217 447 R HN 0.406 nan 8.270 nan 0.000 0.471 448 R N 0.000 120.531 120.500 0.051 0.000 2.786 448 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 448 R CA 0.000 56.123 56.100 0.038 0.000 0.921 448 R CB 0.000 30.317 30.300 0.028 0.000 0.687 448 R HN 0.000 nan 8.270 nan 0.000 0.535