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 2g50_1_G DATA FIRST_RESID 11 DATA SEQUENCE FIQTQQLHAA MADTFLEHKC RLDIDSAPIT ARNTGIICTI GPASRSVETL DATA SEQUENCE KEMIKSGMNV ARMNFSHGTH EYHAETIKNV RTATESFASD PILYRPVAVA DATA SEQUENCE LDTKGPEIRT GLXXXXXXXE VELKKGATLK ITLDNAYMEK CDENILWLDY DATA SEQUENCE KNICKVVDVG SKVYVDDGLI SLQVKQKXXX FLVTEVENGG FLGSKKGVNL DATA SEQUENCE PGAAVDLPAV SEKDIQDLKF GVEQDVDMVF ASFIRKAADV HEVRKILGEK DATA SEQUENCE GKNIKIISKI ENHEGVRRFD EILEASDGIM VARGDLGIEI PAEKVFLAQK DATA SEQUENCE MIIGRCNRAG KPVICATQML ESMIKKPRPT RAEGSDVANA VLDGADCIML DATA SEQUENCE SGETAKGDYP LEAVRMQHLI AREAEAAMFH RKLFEELARA SSQSTDLMEA DATA SEQUENCE MAMGSVEASY KCLAAALIVL TESGRSAHQV ARYRPRAPII AVTRNHQTAR DATA SEQUENCE QAHLYRGIFP VVCKDPVQEA WAEDVDLRVN LAMNVGKARG FFKKGDVVIV DATA SEQUENCE LTGWRPGSGF TNTMRVVPVP 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.772 175.800 -0.047 0.000 0.967 11 F CA 0.000 57.979 58.000 -0.034 0.000 1.383 11 F CB 0.000 38.983 39.000 -0.027 0.000 1.145 12 I N 5.434 125.437 120.570 -0.944 0.000 2.378 12 I HA 0.338 4.507 4.170 -0.000 0.000 0.291 12 I C -0.374 175.083 176.117 -1.101 0.000 0.992 12 I CA -0.653 60.195 61.300 -0.754 0.000 1.154 12 I CB 1.809 39.572 38.000 -0.395 0.000 1.315 12 I HN 0.511 nan 8.210 nan 0.000 0.448 13 Q N 4.457 123.874 119.800 -0.638 0.000 2.300 13 Q HA 0.144 4.484 4.340 -0.000 0.000 0.280 13 Q C 0.412 176.283 176.000 -0.214 0.000 1.033 13 Q CA -0.131 55.471 55.803 -0.335 0.000 0.903 13 Q CB 0.615 29.310 28.738 -0.073 0.000 1.195 13 Q HN 0.723 nan 8.270 nan 0.000 0.386 14 T N -0.477 114.011 114.554 -0.110 0.000 2.766 14 T HA 0.002 4.351 4.350 -0.000 0.000 0.295 14 T C 0.555 175.247 174.700 -0.014 0.000 1.024 14 T CA -0.576 61.495 62.100 -0.048 0.000 1.018 14 T CB 0.893 69.770 68.868 0.015 0.000 1.002 14 T HN 0.824 nan 8.240 nan 0.000 0.532 15 Q N 0.155 119.953 119.800 -0.005 0.000 2.481 15 Q HA -0.249 4.091 4.340 -0.000 0.000 0.272 15 Q C -0.267 175.750 176.000 0.028 0.000 1.157 15 Q CA 0.686 56.500 55.803 0.017 0.000 0.935 15 Q CB -1.248 27.506 28.738 0.026 0.000 1.338 15 Q HN 0.800 nan 8.270 nan 0.000 0.494 16 Q N -2.205 117.595 119.800 -0.000 0.000 2.435 16 Q HA -0.250 4.090 4.340 -0.000 0.000 0.286 16 Q C 0.560 176.572 176.000 0.021 0.000 1.229 16 Q CA 1.553 57.349 55.803 -0.011 0.000 0.884 16 Q CB -1.856 26.869 28.738 -0.022 0.000 1.245 16 Q HN 0.711 nan 8.270 nan 0.000 0.488 17 L N -1.316 119.928 121.223 0.035 0.000 2.291 17 L HA -0.155 4.185 4.340 -0.000 0.000 0.214 17 L C 2.248 179.168 176.870 0.083 0.000 1.120 17 L CA 1.279 56.155 54.840 0.061 0.000 0.799 17 L CB -0.333 41.763 42.059 0.062 0.000 0.925 17 L HN 0.343 nan 8.230 nan 0.000 0.446 18 H N 0.462 119.508 119.070 -0.041 0.000 2.326 18 H HA -0.106 4.450 4.556 -0.000 0.000 0.301 18 H C 2.157 177.445 175.328 -0.066 0.000 1.081 18 H CA 1.509 57.527 56.048 -0.049 0.000 1.334 18 H CB 0.059 29.776 29.762 -0.077 0.000 1.385 18 H HN 0.227 nan 8.280 nan 0.000 0.504 19 A N 0.882 123.581 122.820 -0.200 0.000 1.978 19 A HA -0.081 4.238 4.320 -0.000 0.000 0.220 19 A C 2.608 180.125 177.584 -0.113 0.000 1.170 19 A CA 1.711 53.537 52.037 -0.351 0.000 0.636 19 A CB -1.307 17.352 19.000 -0.568 0.000 0.810 19 A HN 0.616 nan 8.150 nan 0.000 0.448 20 A N -1.148 121.690 122.820 0.030 0.000 2.024 20 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 20 A C 1.940 179.614 177.584 0.150 0.000 1.164 20 A CA 1.762 53.893 52.037 0.156 0.000 0.643 20 A CB -0.380 18.703 19.000 0.138 0.000 0.806 20 A HN 0.432 nan 8.150 nan 0.000 0.451 21 M N -0.366 119.264 119.600 0.049 0.000 2.495 21 M HA 0.246 4.726 4.480 -0.000 0.000 0.237 21 M C 1.006 177.332 176.300 0.044 0.000 1.131 21 M CA 0.036 55.371 55.300 0.058 0.000 1.032 21 M CB -1.258 31.368 32.600 0.042 0.000 1.513 21 M HN 0.399 nan 8.290 nan 0.000 0.488 22 A N 0.819 123.636 122.820 -0.005 0.000 2.448 22 A HA 0.067 4.387 4.320 -0.000 0.000 0.239 22 A C 0.905 178.613 177.584 0.206 0.000 1.080 22 A CA 0.080 52.112 52.037 -0.008 0.000 0.779 22 A CB 0.371 19.274 19.000 -0.161 0.000 1.026 22 A HN 0.281 nan 8.150 nan 0.000 0.499 23 D N -0.659 119.832 120.400 0.152 0.000 2.240 23 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 23 D C 0.971 177.421 176.300 0.250 0.000 0.963 23 D CA 1.866 55.974 54.000 0.181 0.000 0.863 23 D CB 0.140 40.998 40.800 0.096 0.000 0.973 23 D HN 0.759 nan 8.370 nan 0.000 0.501 24 T N -3.331 111.369 114.554 0.244 0.000 2.930 24 T HA 0.287 4.637 4.350 -0.000 0.000 0.290 24 T C 0.816 175.759 174.700 0.404 0.000 1.052 24 T CA -0.864 61.406 62.100 0.283 0.000 1.017 24 T CB 1.406 70.367 68.868 0.155 0.000 1.137 24 T HN -0.078 nan 8.240 nan 0.000 0.511 25 F N 0.725 120.858 119.950 0.305 0.000 2.171 25 F HA -0.016 4.511 4.527 -0.000 0.000 0.300 25 F C 1.939 177.803 175.800 0.107 0.000 1.090 25 F CA 1.084 59.244 58.000 0.266 0.000 1.293 25 F CB -0.098 39.032 39.000 0.217 0.000 1.013 25 F HN 0.527 nan 8.300 nan 0.000 0.486 26 L N 1.032 122.250 121.223 -0.009 0.000 2.012 26 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 26 L C 2.256 179.018 176.870 -0.180 0.000 1.073 26 L CA 2.357 57.116 54.840 -0.135 0.000 0.748 26 L CB -1.099 40.946 42.059 -0.023 0.000 0.891 26 L HN 0.216 nan 8.230 nan 0.000 0.431 27 E N -1.342 118.796 120.200 -0.104 0.000 2.110 27 E HA -0.295 4.054 4.350 -0.000 0.000 0.193 27 E C 2.222 178.676 176.600 -0.243 0.000 0.988 27 E CA 1.562 57.881 56.400 -0.136 0.000 0.804 27 E CB -0.310 29.343 29.700 -0.078 0.000 0.745 27 E HN 0.728 nan 8.360 nan 0.000 0.458 28 H N 0.407 119.218 119.070 -0.432 0.000 2.319 28 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 28 H C 1.742 176.770 175.328 -0.499 0.000 1.092 28 H CA 2.365 58.034 56.048 -0.631 0.000 1.302 28 H CB 0.142 29.260 29.762 -1.074 0.000 1.373 28 H HN 0.056 nan 8.280 nan 0.000 0.497 29 K N -0.570 119.509 120.400 -0.535 0.000 2.032 29 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 29 K C 2.465 178.860 176.600 -0.341 0.000 1.048 29 K CA 1.471 57.474 56.287 -0.474 0.000 0.927 29 K CB -0.402 31.813 32.500 -0.475 0.000 0.712 29 K HN 0.342 nan 8.250 nan 0.000 0.441 30 C N 0.647 119.781 119.300 -0.277 0.000 2.419 30 C HA -0.032 4.427 4.460 -0.000 0.000 0.283 30 C C 2.230 177.110 174.990 -0.183 0.000 1.373 30 C CA 0.523 59.427 59.018 -0.191 0.000 1.781 30 C CB -0.953 26.701 27.740 -0.143 0.000 1.886 30 C HN 0.364 nan 8.230 nan 0.000 0.520 31 R N -0.191 120.154 120.500 -0.258 0.000 2.312 31 R HA 0.228 4.568 4.340 -0.000 0.000 0.205 31 R C 0.195 176.367 176.300 -0.213 0.000 0.904 31 R CA -0.116 55.855 56.100 -0.215 0.000 1.052 31 R CB -0.011 30.076 30.300 -0.354 0.000 1.014 31 R HN 0.476 nan 8.270 nan 0.000 0.503 32 L N 1.929 122.983 121.223 -0.283 0.000 2.525 32 L HA -0.013 4.326 4.340 -0.000 0.000 0.278 32 L C -0.083 176.702 176.870 -0.141 0.000 1.218 32 L CA 0.428 55.126 54.840 -0.237 0.000 0.878 32 L CB 0.165 42.078 42.059 -0.243 0.000 1.127 32 L HN -0.043 nan 8.230 nan 0.000 0.492 33 D N 3.066 123.399 120.400 -0.112 0.000 2.542 33 D HA 0.203 4.843 4.640 -0.000 0.000 0.252 33 D C 0.695 176.949 176.300 -0.076 0.000 1.222 33 D CA -0.576 53.373 54.000 -0.085 0.000 0.895 33 D CB 1.374 42.127 40.800 -0.078 0.000 1.207 33 D HN 0.448 nan 8.370 nan 0.000 0.558 34 I N -0.053 120.477 120.570 -0.066 0.000 2.850 34 I HA -0.010 4.160 4.170 -0.000 0.000 0.266 34 I C 0.351 176.436 176.117 -0.054 0.000 1.257 34 I CA 0.903 62.170 61.300 -0.055 0.000 1.465 34 I CB 0.188 38.159 38.000 -0.047 0.000 1.091 34 I HN 0.049 nan 8.210 nan 0.000 0.467 35 D N 1.027 121.389 120.400 -0.064 0.000 2.349 35 D HA 0.079 4.718 4.640 -0.000 0.000 0.214 35 D C 0.649 176.896 176.300 -0.088 0.000 1.063 35 D CA 0.343 54.302 54.000 -0.069 0.000 0.847 35 D CB 0.496 41.252 40.800 -0.073 0.000 0.933 35 D HN 0.262 nan 8.370 nan 0.000 0.513 36 S N 0.841 116.489 115.700 -0.087 0.000 2.399 36 S HA 0.496 4.965 4.470 -0.000 0.000 0.301 36 S C 0.045 174.609 174.600 -0.061 0.000 1.093 36 S CA -0.674 57.470 58.200 -0.094 0.000 1.077 36 S CB 0.354 63.501 63.200 -0.088 0.000 0.980 36 S HN 0.168 nan 8.310 nan 0.000 0.494 37 A N 7.559 130.347 122.820 -0.053 0.000 2.440 37 A HA 0.558 4.878 4.320 -0.000 0.000 0.251 37 A C -2.038 175.538 177.584 -0.014 0.000 1.089 37 A CA -1.227 50.795 52.037 -0.026 0.000 0.779 37 A CB -0.104 18.889 19.000 -0.012 0.000 1.022 37 A HN 0.706 nan 8.150 nan 0.000 0.492 38 P HA 0.313 nan 4.420 nan 0.000 0.274 38 P C 0.046 177.349 177.300 0.004 0.000 1.256 38 P CA -0.293 62.804 63.100 -0.005 0.000 0.795 38 P CB 0.445 32.135 31.700 -0.017 0.000 1.038 39 I N -2.581 117.991 120.570 0.003 0.000 3.079 39 I HA 0.155 4.325 4.170 -0.000 0.000 0.295 39 I C 1.225 177.349 176.117 0.012 0.000 1.094 39 I CA -0.424 60.881 61.300 0.009 0.000 1.295 39 I CB -0.486 37.508 38.000 -0.010 0.000 1.443 39 I HN 0.169 nan 8.210 nan 0.000 0.607 40 T N 2.387 116.970 114.554 0.049 0.000 2.746 40 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 40 T C 1.087 175.844 174.700 0.095 0.000 1.039 40 T CA 1.297 63.461 62.100 0.107 0.000 1.142 40 T CB -0.331 68.646 68.868 0.182 0.000 0.866 40 T HN 0.775 nan 8.240 nan 0.000 0.444 41 A N 2.147 124.911 122.820 -0.094 0.000 2.498 41 A HA 0.385 4.705 4.320 -0.000 0.000 0.239 41 A C 0.622 178.131 177.584 -0.124 0.000 1.068 41 A CA -0.128 51.704 52.037 -0.342 0.000 0.766 41 A CB 0.133 18.582 19.000 -0.918 0.000 1.003 41 A HN 0.267 nan 8.150 nan 0.000 0.497 42 R N 2.482 122.975 120.500 -0.012 0.000 2.409 42 R HA 0.241 4.581 4.340 -0.000 0.000 0.313 42 R C -0.386 175.962 176.300 0.080 0.000 0.953 42 R CA -0.276 55.836 56.100 0.019 0.000 0.849 42 R CB 0.618 30.937 30.300 0.032 0.000 1.171 42 R HN 0.957 nan 8.270 nan 0.000 0.458 43 N N 0.750 119.484 118.700 0.056 0.000 2.395 43 N HA -0.013 4.727 4.740 -0.000 0.000 0.175 43 N C -0.359 175.223 175.510 0.121 0.000 1.029 43 N CA 0.529 53.636 53.050 0.096 0.000 0.897 43 N CB 0.400 38.938 38.487 0.086 0.000 0.991 43 N HN 0.427 nan 8.380 nan 0.000 0.441 44 T N 0.844 115.454 114.554 0.094 0.000 2.761 44 T HA 0.251 4.601 4.350 -0.000 0.000 0.296 44 T C 0.658 175.414 174.700 0.094 0.000 0.934 44 T CA -0.579 61.570 62.100 0.082 0.000 1.091 44 T CB 1.227 70.127 68.868 0.053 0.000 0.896 44 T HN 0.129 nan 8.240 nan 0.000 0.515 45 G N 2.734 111.590 108.800 0.093 0.000 2.432 45 G HA2 0.433 4.393 3.960 -0.000 0.000 0.239 45 G HA3 0.433 4.393 3.960 -0.000 0.000 0.239 45 G C -0.352 174.576 174.900 0.045 0.000 1.291 45 G CA -0.473 44.675 45.100 0.081 0.000 0.863 45 G HN 0.765 nan 8.290 nan 0.000 0.560 46 I N 1.982 122.563 120.570 0.019 0.000 2.382 46 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 46 I C -0.168 175.954 176.117 0.008 0.000 1.002 46 I CA -0.419 60.893 61.300 0.020 0.000 1.135 46 I CB 1.666 39.685 38.000 0.032 0.000 1.288 46 I HN 0.220 nan 8.210 nan 0.000 0.448 47 I N 5.751 126.343 120.570 0.036 0.000 2.354 47 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 47 I C -0.657 175.504 176.117 0.073 0.000 0.989 47 I CA -0.411 60.932 61.300 0.071 0.000 1.188 47 I CB 1.430 39.503 38.000 0.121 0.000 1.342 47 I HN 0.515 nan 8.210 nan 0.000 0.457 48 C N 3.894 123.237 119.300 0.073 0.000 2.408 48 C HA 0.418 4.878 4.460 -0.000 0.000 0.321 48 C C 0.583 175.628 174.990 0.091 0.000 1.245 48 C CA -0.606 58.455 59.018 0.071 0.000 1.523 48 C CB 1.260 29.030 27.740 0.050 0.000 2.178 48 C HN 0.679 nan 8.230 nan 0.000 0.488 49 T N 5.013 119.626 114.554 0.099 0.000 2.814 49 T HA 0.325 4.675 4.350 -0.000 0.000 0.297 49 T C 0.220 174.980 174.700 0.101 0.000 0.956 49 T CA 0.006 62.175 62.100 0.114 0.000 1.123 49 T CB 0.078 69.018 68.868 0.120 0.000 0.902 49 T HN 0.363 nan 8.240 nan 0.000 0.528 50 I N 2.925 123.562 120.570 0.111 0.000 2.385 50 I HA 0.689 4.859 4.170 -0.000 0.000 0.294 50 I C 0.885 177.076 176.117 0.125 0.000 0.988 50 I CA -0.252 61.107 61.300 0.098 0.000 1.265 50 I CB 0.890 38.939 38.000 0.082 0.000 1.388 50 I HN 0.824 nan 8.210 nan 0.000 0.480 51 G N 6.321 115.182 108.800 0.103 0.000 2.753 51 G HA2 0.440 4.399 3.960 -0.000 0.000 0.303 51 G HA3 0.440 4.399 3.960 -0.000 0.000 0.303 51 G C -2.530 172.430 174.900 0.099 0.000 1.242 51 G CA -0.276 44.904 45.100 0.133 0.000 0.810 51 G HN 0.273 nan 8.290 nan 0.000 0.515 52 P HA -0.071 nan 4.420 nan 0.000 0.217 52 P C 1.692 179.011 177.300 0.032 0.000 1.148 52 P CA 2.136 65.278 63.100 0.070 0.000 0.828 52 P CB 0.049 31.779 31.700 0.049 0.000 0.783 53 A N 0.009 122.844 122.820 0.025 0.000 2.067 53 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 53 A C 1.917 179.508 177.584 0.011 0.000 1.156 53 A CA 1.589 53.630 52.037 0.007 0.000 0.683 53 A CB -0.692 18.309 19.000 0.001 0.000 0.808 53 A HN 0.376 nan 8.150 nan 0.000 0.455 54 S N -2.488 113.226 115.700 0.023 0.000 2.847 54 S HA 0.271 4.740 4.470 -0.000 0.000 0.254 54 S C 1.204 175.815 174.600 0.018 0.000 1.039 54 S CA -0.115 58.100 58.200 0.024 0.000 1.113 54 S CB -0.035 63.187 63.200 0.036 0.000 1.092 54 S HN 0.479 nan 8.310 nan 0.000 0.620 55 R N 2.483 122.987 120.500 0.007 0.000 2.210 55 R HA 0.146 4.486 4.340 -0.000 0.000 0.203 55 R C 0.735 177.019 176.300 -0.027 0.000 1.010 55 R CA 0.769 56.857 56.100 -0.020 0.000 1.008 55 R CB 0.074 30.345 30.300 -0.048 0.000 0.923 55 R HN 0.566 nan 8.270 nan 0.000 0.469 56 S N -0.827 114.864 115.700 -0.014 0.000 2.579 56 S HA 0.019 4.489 4.470 -0.000 0.000 0.275 56 S C 1.461 176.058 174.600 -0.005 0.000 1.345 56 S CA -0.731 57.461 58.200 -0.014 0.000 1.031 56 S CB 1.699 64.893 63.200 -0.009 0.000 0.892 56 S HN -0.067 nan 8.310 nan 0.000 0.529 57 V N 1.936 121.845 119.914 -0.008 0.000 2.343 57 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 57 V C 2.778 178.874 176.094 0.004 0.000 1.051 57 V CA 2.342 64.640 62.300 -0.003 0.000 1.036 57 V CB -1.214 30.601 31.823 -0.014 0.000 0.654 57 V HN 1.070 nan 8.190 nan 0.000 0.451 58 E N -0.026 120.174 120.200 0.000 0.000 2.058 58 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 58 E C 2.197 178.812 176.600 0.024 0.000 0.997 58 E CA 2.032 58.436 56.400 0.007 0.000 0.801 58 E CB -0.134 29.567 29.700 0.002 0.000 0.746 58 E HN 0.629 nan 8.360 nan 0.000 0.450 59 T N 1.280 115.846 114.554 0.020 0.000 2.777 59 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 59 T C 1.919 176.643 174.700 0.041 0.000 1.040 59 T CA 0.926 63.042 62.100 0.027 0.000 1.141 59 T CB -0.151 68.728 68.868 0.017 0.000 0.868 59 T HN 0.136 nan 8.240 nan 0.000 0.444 60 L N 0.503 121.750 121.223 0.041 0.000 2.083 60 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 60 L C 2.628 179.557 176.870 0.098 0.000 1.083 60 L CA 1.373 56.247 54.840 0.056 0.000 0.752 60 L CB -0.433 41.655 42.059 0.048 0.000 0.899 60 L HN 0.207 nan 8.230 nan 0.000 0.433 61 K N -0.371 120.100 120.400 0.119 0.000 2.063 61 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 61 K C 2.072 178.803 176.600 0.218 0.000 1.048 61 K CA 1.256 57.684 56.287 0.236 0.000 0.928 61 K CB -0.082 32.503 32.500 0.142 0.000 0.713 61 K HN 0.220 nan 8.250 nan 0.000 0.442 62 E N 0.500 120.772 120.200 0.120 0.000 2.150 62 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 62 E C 1.955 178.580 176.600 0.042 0.000 0.985 62 E CA 1.107 57.554 56.400 0.077 0.000 0.814 62 E CB -0.084 29.650 29.700 0.056 0.000 0.752 62 E HN 0.400 nan 8.360 nan 0.000 0.466 63 M N -0.039 119.586 119.600 0.042 0.000 2.132 63 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 63 M C 2.345 178.636 176.300 -0.015 0.000 1.065 63 M CA 1.151 56.461 55.300 0.017 0.000 1.122 63 M CB -0.274 32.341 32.600 0.025 0.000 1.365 63 M HN 0.041 nan 8.290 nan 0.000 0.411 64 I N 0.240 120.805 120.570 -0.009 0.000 2.179 64 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 64 I C 2.269 178.283 176.117 -0.171 0.000 1.088 64 I CA 1.456 62.701 61.300 -0.091 0.000 1.357 64 I CB -0.356 37.603 38.000 -0.067 0.000 1.051 64 I HN 0.238 nan 8.210 nan 0.000 0.409 65 K N 0.291 120.605 120.400 -0.143 0.000 2.152 65 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 65 K C 2.096 178.618 176.600 -0.131 0.000 1.048 65 K CA 1.526 57.718 56.287 -0.158 0.000 0.933 65 K CB -0.141 32.322 32.500 -0.061 0.000 0.721 65 K HN 0.167 nan 8.250 nan 0.000 0.447 66 S N -0.999 114.645 115.700 -0.092 0.000 2.527 66 S HA 0.050 4.520 4.470 -0.000 0.000 0.222 66 S C 1.188 175.702 174.600 -0.143 0.000 0.985 66 S CA 0.838 58.978 58.200 -0.100 0.000 0.921 66 S CB 0.657 63.835 63.200 -0.036 0.000 0.772 66 S HN 0.624 nan 8.310 nan 0.000 0.529 67 G N 0.914 109.639 108.800 -0.126 0.000 2.370 67 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.174 67 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.174 67 G C 0.082 174.939 174.900 -0.072 0.000 1.002 67 G CA -0.264 44.773 45.100 -0.105 0.000 0.730 67 G HN 0.387 nan 8.290 nan 0.000 0.497 68 M N 1.339 120.895 119.600 -0.073 0.000 2.284 68 M HA 0.287 4.767 4.480 -0.000 0.000 0.351 68 M C 0.968 177.171 176.300 -0.162 0.000 1.443 68 M CA 1.007 56.262 55.300 -0.076 0.000 1.031 68 M CB 0.096 32.671 32.600 -0.041 0.000 1.893 68 M HN 0.255 nan 8.290 nan 0.000 0.456 69 N N 2.651 121.217 118.700 -0.223 0.000 2.463 69 N HA 0.173 4.913 4.740 -0.000 0.000 0.183 69 N C -1.001 174.296 175.510 -0.355 0.000 1.064 69 N CA -0.136 52.597 53.050 -0.528 0.000 0.879 69 N CB 0.923 38.965 38.487 -0.742 0.000 1.148 69 N HN 0.411 nan 8.380 nan 0.000 0.451 70 V N 0.800 120.639 119.914 -0.126 0.000 2.638 70 V HA 0.670 4.790 4.120 -0.000 0.000 0.306 70 V C -0.960 175.151 176.094 0.028 0.000 1.052 70 V CA -1.206 61.092 62.300 -0.003 0.000 0.885 70 V CB 1.639 33.514 31.823 0.088 0.000 0.999 70 V HN 0.082 nan 8.190 nan 0.000 0.424 71 A N 4.675 127.514 122.820 0.031 0.000 2.252 71 A HA 0.721 5.041 4.320 -0.000 0.000 0.309 71 A C 0.010 177.621 177.584 0.045 0.000 1.285 71 A CA -0.494 51.570 52.037 0.045 0.000 0.900 71 A CB 0.370 19.396 19.000 0.042 0.000 1.157 71 A HN 0.852 nan 8.150 nan 0.000 0.536 72 R N 3.939 124.487 120.500 0.080 0.000 2.294 72 R HA 0.499 4.839 4.340 -0.000 0.000 0.319 72 R C -0.899 175.467 176.300 0.110 0.000 0.984 72 R CA -0.526 55.621 56.100 0.078 0.000 0.861 72 R CB 0.547 30.965 30.300 0.198 0.000 1.104 72 R HN 0.674 nan 8.270 nan 0.000 0.451 73 M N 3.912 123.574 119.600 0.103 0.000 2.088 73 M HA 0.180 4.660 4.480 -0.000 0.000 0.346 73 M C -0.429 175.976 176.300 0.175 0.000 1.111 73 M CA -0.825 54.572 55.300 0.162 0.000 1.017 73 M CB 0.822 33.549 32.600 0.211 0.000 1.568 73 M HN 0.444 nan 8.290 nan 0.000 0.445 74 N N 2.787 121.596 118.700 0.182 0.000 2.437 74 N HA 0.208 4.948 4.740 -0.000 0.000 0.243 74 N C -0.488 175.114 175.510 0.153 0.000 1.041 74 N CA -0.222 52.950 53.050 0.204 0.000 0.940 74 N CB 0.262 38.880 38.487 0.218 0.000 1.133 74 N HN 0.383 nan 8.380 nan 0.000 0.506 75 F N 1.374 121.296 119.950 -0.048 0.000 2.804 75 F HA 0.129 4.656 4.527 -0.000 0.000 0.303 75 F C 2.062 177.870 175.800 0.013 0.000 1.154 75 F CA 0.061 58.034 58.000 -0.045 0.000 1.401 75 F CB 0.002 38.940 39.000 -0.104 0.000 1.106 75 F HN 0.462 nan 8.300 nan 0.000 0.568 76 S N -1.315 114.444 115.700 0.098 0.000 2.419 76 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 76 S C 0.191 174.509 174.600 -0.470 0.000 1.016 76 S CA 1.098 59.204 58.200 -0.156 0.000 0.974 76 S CB -0.392 62.687 63.200 -0.203 0.000 0.786 76 S HN 0.430 nan 8.310 nan 0.000 0.492 77 H N -1.583 117.542 119.070 0.093 0.000 2.949 77 H HA 0.606 5.162 4.556 -0.000 0.000 0.356 77 H C 0.242 175.560 175.328 -0.017 0.000 1.212 77 H CA -0.190 55.867 56.048 0.016 0.000 1.136 77 H CB 1.288 31.032 29.762 -0.029 0.000 1.869 77 H HN 0.220 nan 8.280 nan 0.000 0.556 78 G N 0.455 109.222 108.800 -0.055 0.000 2.705 78 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 78 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 78 G C -0.045 174.745 174.900 -0.184 0.000 1.285 78 G CA -0.494 44.399 45.100 -0.345 0.000 0.800 78 G HN 0.895 nan 8.290 nan 0.000 0.611 79 T N -1.480 112.961 114.554 -0.188 0.000 2.847 79 T HA 0.546 4.896 4.350 -0.000 0.000 0.279 79 T C 1.360 176.076 174.700 0.028 0.000 0.984 79 T CA 0.481 62.549 62.100 -0.053 0.000 0.988 79 T CB 1.270 70.116 68.868 -0.037 0.000 1.040 79 T HN 0.680 nan 8.240 nan 0.000 0.528 80 H N 0.574 119.552 119.070 -0.153 0.000 2.352 80 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 80 H C 2.275 177.551 175.328 -0.087 0.000 1.097 80 H CA 1.415 57.245 56.048 -0.364 0.000 1.311 80 H CB 0.282 29.800 29.762 -0.406 0.000 1.377 80 H HN 0.722 nan 8.280 nan 0.000 0.504 81 E N 0.888 121.173 120.200 0.142 0.000 2.085 81 E HA -0.244 4.105 4.350 -0.000 0.000 0.194 81 E C 2.021 178.688 176.600 0.111 0.000 0.994 81 E CA 1.047 57.531 56.400 0.140 0.000 0.801 81 E CB -1.068 28.692 29.700 0.101 0.000 0.743 81 E HN 0.600 nan 8.360 nan 0.000 0.453 82 Y N 2.100 122.352 120.300 -0.081 0.000 2.114 82 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 82 Y C 2.533 178.335 175.900 -0.163 0.000 1.143 82 Y CA 2.132 60.127 58.100 -0.175 0.000 1.135 82 Y CB -0.278 37.981 38.460 -0.335 0.000 0.980 82 Y HN 0.107 nan 8.280 nan 0.000 0.499 83 H N -0.586 118.526 119.070 0.071 0.000 2.423 83 H HA -0.041 4.515 4.556 -0.000 0.000 0.297 83 H C 2.321 177.765 175.328 0.193 0.000 1.075 83 H CA 1.057 57.128 56.048 0.038 0.000 1.342 83 H CB -0.675 29.007 29.762 -0.133 0.000 1.395 83 H HN 0.522 nan 8.280 nan 0.000 0.530 84 A N 1.128 124.199 122.820 0.418 0.000 1.883 84 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 84 A C 2.393 180.056 177.584 0.131 0.000 1.186 84 A CA 1.911 54.161 52.037 0.355 0.000 0.624 84 A CB -0.469 18.752 19.000 0.368 0.000 0.822 84 A HN 0.515 nan 8.150 nan 0.000 0.444 85 E N -0.841 119.379 120.200 0.034 0.000 2.072 85 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 85 E C 1.978 178.529 176.600 -0.082 0.000 0.985 85 E CA 1.630 58.001 56.400 -0.048 0.000 0.801 85 E CB -0.185 29.449 29.700 -0.110 0.000 0.750 85 E HN 0.560 nan 8.360 nan 0.000 0.452 86 T N 1.287 115.756 114.554 -0.141 0.000 2.684 86 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 86 T C 1.902 176.604 174.700 0.003 0.000 1.036 86 T CA 1.556 63.593 62.100 -0.104 0.000 1.148 86 T CB -0.257 68.548 68.868 -0.105 0.000 0.863 86 T HN 0.190 nan 8.240 nan 0.000 0.436 87 I N 0.883 121.491 120.570 0.063 0.000 2.208 87 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 87 I C 2.664 178.805 176.117 0.040 0.000 1.097 87 I CA 1.362 62.704 61.300 0.070 0.000 1.363 87 I CB -0.356 37.702 38.000 0.097 0.000 1.051 87 I HN 0.208 nan 8.210 nan 0.000 0.413 88 K N 1.025 121.443 120.400 0.031 0.000 2.044 88 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 88 K C 1.911 178.519 176.600 0.013 0.000 1.049 88 K CA 1.987 58.285 56.287 0.019 0.000 0.927 88 K CB -0.055 32.453 32.500 0.013 0.000 0.713 88 K HN 0.258 nan 8.250 nan 0.000 0.443 89 N N 0.373 119.073 118.700 0.001 0.000 2.188 89 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 89 N C 1.781 177.302 175.510 0.017 0.000 1.018 89 N CA 1.048 54.097 53.050 -0.002 0.000 0.858 89 N CB -0.365 38.109 38.487 -0.022 0.000 0.989 89 N HN 0.001 nan 8.380 nan 0.000 0.426 90 V N 1.456 121.386 119.914 0.027 0.000 2.287 90 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 90 V C 2.280 178.409 176.094 0.059 0.000 1.053 90 V CA 1.652 63.979 62.300 0.044 0.000 1.027 90 V CB -0.363 31.488 31.823 0.046 0.000 0.646 90 V HN 0.288 nan 8.190 nan 0.000 0.447 91 R N -0.549 119.983 120.500 0.054 0.000 2.090 91 R HA -0.100 4.240 4.340 -0.000 0.000 0.228 91 R C 2.421 178.761 176.300 0.067 0.000 1.110 91 R CA 1.756 57.897 56.100 0.069 0.000 0.973 91 R CB -0.684 29.649 30.300 0.056 0.000 0.869 91 R HN 0.504 nan 8.270 nan 0.000 0.440 92 T N 1.043 115.621 114.554 0.039 0.000 2.684 92 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 92 T C 1.980 176.688 174.700 0.013 0.000 1.036 92 T CA 1.548 63.659 62.100 0.019 0.000 1.148 92 T CB -0.289 68.579 68.868 0.000 0.000 0.863 92 T HN 0.379 nan 8.240 nan 0.000 0.436 93 A N 1.322 124.159 122.820 0.029 0.000 1.877 93 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 93 A C 2.580 180.240 177.584 0.127 0.000 1.186 93 A CA 2.161 54.222 52.037 0.041 0.000 0.620 93 A CB -1.299 17.748 19.000 0.079 0.000 0.822 93 A HN 0.485 nan 8.150 nan 0.000 0.443 94 T N 0.089 114.747 114.554 0.173 0.000 2.708 94 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 94 T C 1.643 176.567 174.700 0.373 0.000 1.037 94 T CA 1.515 63.773 62.100 0.263 0.000 1.146 94 T CB -0.233 68.743 68.868 0.179 0.000 0.865 94 T HN 0.444 nan 8.240 nan 0.000 0.435 95 E N 1.514 121.860 120.200 0.243 0.000 2.427 95 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 95 E C 2.421 179.079 176.600 0.097 0.000 1.028 95 E CA 0.517 57.044 56.400 0.212 0.000 0.864 95 E CB -0.441 29.325 29.700 0.110 0.000 0.813 95 E HN 0.653 nan 8.360 nan 0.000 0.514 96 S N -0.318 115.361 115.700 -0.035 0.000 2.474 96 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 96 S C 1.400 175.813 174.600 -0.313 0.000 0.997 96 S CA 0.493 58.544 58.200 -0.248 0.000 0.949 96 S CB -0.390 62.548 63.200 -0.436 0.000 0.766 96 S HN 0.136 nan 8.310 nan 0.000 0.517 97 F N 1.094 121.129 119.950 0.143 0.000 2.695 97 F HA 0.586 5.113 4.527 -0.000 0.000 0.303 97 F C 2.234 178.179 175.800 0.242 0.000 1.091 97 F CA -0.285 57.818 58.000 0.171 0.000 1.300 97 F CB -0.300 38.795 39.000 0.158 0.000 1.071 97 F HN 0.270 nan 8.300 nan 0.000 0.578 98 A N 0.057 123.052 122.820 0.291 0.000 2.121 98 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 98 A C 2.302 179.867 177.584 -0.031 0.000 1.154 98 A CA 1.553 53.577 52.037 -0.023 0.000 0.679 98 A CB -0.886 17.992 19.000 -0.204 0.000 0.795 98 A HN 0.353 nan 8.150 nan 0.000 0.458 99 S N -0.650 115.071 115.700 0.035 0.000 2.447 99 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 99 S C 0.547 175.169 174.600 0.035 0.000 1.006 99 S CA 0.898 59.108 58.200 0.017 0.000 0.957 99 S CB -0.173 63.037 63.200 0.017 0.000 0.773 99 S HN 0.455 nan 8.310 nan 0.000 0.507 100 D N 2.241 122.690 120.400 0.082 0.000 2.464 100 D HA 0.347 4.987 4.640 -0.000 0.000 0.243 100 D C -1.821 174.539 176.300 0.100 0.000 1.104 100 D CA -2.565 51.484 54.000 0.082 0.000 0.883 100 D CB 1.744 42.603 40.800 0.097 0.000 1.050 100 D HN 0.018 nan 8.370 nan 0.000 0.524 101 P HA -0.115 nan 4.420 nan 0.000 0.222 101 P C 1.559 178.911 177.300 0.087 0.000 1.147 101 P CA 0.377 63.509 63.100 0.054 0.000 0.790 101 P CB 0.576 32.281 31.700 0.009 0.000 0.780 102 I N -1.010 119.600 120.570 0.067 0.000 2.439 102 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 102 I C 2.286 178.442 176.117 0.065 0.000 1.139 102 I CA 1.224 62.557 61.300 0.054 0.000 1.438 102 I CB -1.013 37.000 38.000 0.022 0.000 1.085 102 I HN 0.007 nan 8.210 nan 0.000 0.427 103 L N -1.463 119.809 121.223 0.083 0.000 2.609 103 L HA 0.081 4.421 4.340 -0.000 0.000 0.230 103 L C 0.713 177.625 176.870 0.069 0.000 1.087 103 L CA -0.252 54.625 54.840 0.060 0.000 0.874 103 L CB -0.220 41.863 42.059 0.041 0.000 1.114 103 L HN 0.042 nan 8.230 nan 0.000 0.488 104 Y N 3.187 123.494 120.300 0.011 0.000 2.805 104 Y HA -0.010 4.540 4.550 -0.000 0.000 0.331 104 Y C 0.244 176.112 175.900 -0.053 0.000 1.241 104 Y CA -0.167 57.938 58.100 0.009 0.000 1.546 104 Y CB 0.249 38.730 38.460 0.035 0.000 1.248 104 Y HN -0.015 nan 8.280 nan 0.000 0.559 105 R N 7.934 128.015 120.500 -0.698 0.000 2.295 105 R HA 0.360 4.699 4.340 -0.000 0.000 0.324 105 R C -2.695 173.088 176.300 -0.863 0.000 0.968 105 R CA -2.737 52.980 56.100 -0.640 0.000 0.837 105 R CB 0.624 30.672 30.300 -0.420 0.000 1.133 105 R HN 0.534 nan 8.270 nan 0.000 0.450 106 P HA 0.097 nan 4.420 nan 0.000 0.269 106 P C -0.561 176.748 177.300 0.016 0.000 1.209 106 P CA -0.198 62.774 63.100 -0.214 0.000 0.776 106 P CB 0.704 32.375 31.700 -0.047 0.000 0.876 107 V N 2.015 121.953 119.914 0.040 0.000 2.525 107 V HA 0.584 4.704 4.120 -0.000 0.000 0.299 107 V C 0.199 176.354 176.094 0.103 0.000 1.034 107 V CA -0.877 61.452 62.300 0.048 0.000 0.863 107 V CB 1.544 33.361 31.823 -0.010 0.000 0.999 107 V HN 0.682 nan 8.190 nan 0.000 0.423 108 A N 4.518 127.420 122.820 0.137 0.000 2.322 108 A HA 0.798 5.118 4.320 -0.000 0.000 0.269 108 A C -0.434 177.183 177.584 0.055 0.000 1.094 108 A CA -0.389 51.719 52.037 0.118 0.000 0.807 108 A CB 1.025 20.127 19.000 0.169 0.000 1.047 108 A HN 0.729 nan 8.150 nan 0.000 0.487 109 V N 1.174 121.104 119.914 0.026 0.000 2.409 109 V HA 0.624 4.744 4.120 -0.000 0.000 0.291 109 V C 0.359 176.401 176.094 -0.087 0.000 1.020 109 V CA -0.152 62.142 62.300 -0.010 0.000 0.848 109 V CB 1.095 32.920 31.823 0.003 0.000 0.990 109 V HN 1.167 nan 8.190 nan 0.000 0.430 110 A N 5.345 128.066 122.820 -0.165 0.000 2.342 110 A HA 0.857 5.177 4.320 -0.000 0.000 0.323 110 A C -0.946 176.419 177.584 -0.364 0.000 1.125 110 A CA -0.553 51.223 52.037 -0.435 0.000 0.785 110 A CB 1.260 19.737 19.000 -0.872 0.000 1.221 110 A HN 0.899 nan 8.150 nan 0.000 0.463 111 L N 2.578 123.565 121.223 -0.393 0.000 2.280 111 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 111 L C -0.946 175.766 176.870 -0.263 0.000 1.023 111 L CA -0.513 54.171 54.840 -0.260 0.000 0.819 111 L CB 1.013 42.873 42.059 -0.331 0.000 1.212 111 L HN 0.719 nan 8.230 nan 0.000 0.420 112 D N 4.078 124.441 120.400 -0.062 0.000 2.373 112 D HA 0.170 4.809 4.640 -0.000 0.000 0.227 112 D C -0.202 176.157 176.300 0.097 0.000 1.091 112 D CA -0.184 53.863 54.000 0.079 0.000 0.840 112 D CB 1.481 42.411 40.800 0.218 0.000 1.060 112 D HN 0.609 nan 8.370 nan 0.000 0.502 113 T N 0.963 115.548 114.554 0.052 0.000 2.898 113 T HA 0.093 4.443 4.350 -0.000 0.000 0.301 113 T C 1.324 176.091 174.700 0.112 0.000 1.049 113 T CA -0.472 61.656 62.100 0.046 0.000 1.095 113 T CB 2.025 70.907 68.868 0.024 0.000 0.976 113 T HN 0.439 nan 8.240 nan 0.000 0.539 114 K N 1.966 122.444 120.400 0.130 0.000 2.002 114 K HA 0.123 4.443 4.320 -0.000 0.000 0.209 114 K C 1.285 177.989 176.600 0.172 0.000 1.048 114 K CA 1.286 57.651 56.287 0.129 0.000 0.930 114 K CB -1.119 31.441 32.500 0.099 0.000 0.714 114 K HN 1.163 nan 8.250 nan 0.000 0.438 115 G N 0.230 109.119 108.800 0.148 0.000 2.698 115 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.233 115 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.233 115 G C -2.423 172.544 174.900 0.112 0.000 1.352 115 G CA -0.165 45.048 45.100 0.189 0.000 0.879 115 G HN 0.295 nan 8.290 nan 0.000 0.567 116 P HA 0.211 nan 4.420 nan 0.000 0.226 116 P C 0.069 177.143 177.300 -0.376 0.000 1.783 116 P CA 0.289 63.283 63.100 -0.178 0.000 0.980 116 P CB -0.242 31.325 31.700 -0.222 0.000 1.967 117 E N 0.998 121.084 120.200 -0.191 0.000 2.383 117 E HA 0.264 4.614 4.350 -0.000 0.000 0.264 117 E C 0.184 176.678 176.600 -0.178 0.000 1.050 117 E CA -0.420 55.874 56.400 -0.177 0.000 0.896 117 E CB 0.829 30.534 29.700 0.008 0.000 0.982 117 E HN 0.337 nan 8.360 nan 0.000 0.424 118 I N 3.178 123.645 120.570 -0.171 0.000 2.378 118 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 118 I C 0.160 176.264 176.117 -0.021 0.000 0.992 118 I CA -0.498 60.738 61.300 -0.107 0.000 1.154 118 I CB 1.174 39.099 38.000 -0.124 0.000 1.315 118 I HN 0.244 nan 8.210 nan 0.000 0.448 119 R N 2.913 123.420 120.500 0.011 0.000 2.795 119 R HA 0.532 4.872 4.340 -0.000 0.000 0.275 119 R C -0.454 175.902 176.300 0.092 0.000 0.981 119 R CA -0.806 55.336 56.100 0.070 0.000 0.917 119 R CB 2.606 32.970 30.300 0.106 0.000 1.202 119 R HN 0.731 nan 8.270 nan 0.000 0.469 120 T N -1.220 113.415 114.554 0.135 0.000 2.788 120 T HA 0.393 4.743 4.350 -0.000 0.000 0.287 120 T C 0.910 175.819 174.700 0.348 0.000 1.007 120 T CA -0.508 61.711 62.100 0.199 0.000 1.005 120 T CB 1.208 70.171 68.868 0.159 0.000 1.012 120 T HN 0.610 nan 8.240 nan 0.000 0.530 121 G N -0.127 108.967 108.800 0.490 0.000 2.494 121 G HA2 0.514 4.474 3.960 -0.000 0.000 0.270 121 G HA3 0.514 4.474 3.960 -0.000 0.000 0.270 121 G C -0.305 174.702 174.900 0.179 0.000 1.423 121 G CA -0.979 44.348 45.100 0.379 0.000 1.055 121 G HN 0.661 nan 8.290 nan 0.000 0.536 131 V N 1.168 121.180 119.914 0.163 0.000 2.623 131 V HA 0.336 4.455 4.120 -0.000 0.000 0.304 131 V C -1.229 174.945 176.094 0.133 0.000 1.054 131 V CA -0.371 62.012 62.300 0.138 0.000 0.882 131 V CB 1.759 33.632 31.823 0.084 0.000 1.002 131 V HN 0.673 nan 8.190 nan 0.000 0.424 132 E N 5.923 126.175 120.200 0.086 0.000 2.229 132 E HA 0.392 4.742 4.350 -0.000 0.000 0.283 132 E C -1.322 175.243 176.600 -0.058 0.000 1.030 132 E CA -0.750 55.613 56.400 -0.063 0.000 0.836 132 E CB 1.097 30.671 29.700 -0.211 0.000 1.068 132 E HN 0.553 nan 8.360 nan 0.000 0.401 133 L N 5.845 127.026 121.223 -0.071 0.000 2.283 133 L HA 0.257 4.597 4.340 -0.000 0.000 0.281 133 L C 0.278 177.102 176.870 -0.076 0.000 1.033 133 L CA -0.441 54.366 54.840 -0.054 0.000 0.848 133 L CB 0.257 42.296 42.059 -0.032 0.000 1.226 133 L HN 0.543 nan 8.230 nan 0.000 0.429 134 K N 1.921 122.279 120.400 -0.071 0.000 2.355 134 K HA 0.177 4.496 4.320 -0.000 0.000 0.270 134 K C 0.114 176.682 176.600 -0.054 0.000 1.003 134 K CA -0.597 55.647 56.287 -0.071 0.000 0.957 134 K CB 1.403 33.868 32.500 -0.059 0.000 0.939 134 K HN 0.368 nan 8.250 nan 0.000 0.482 135 K N 0.980 121.350 120.400 -0.051 0.000 2.447 135 K HA -0.023 4.297 4.320 -0.000 0.000 0.281 135 K C 0.654 177.234 176.600 -0.033 0.000 1.031 135 K CA 1.198 57.461 56.287 -0.040 0.000 1.019 135 K CB -0.161 32.319 32.500 -0.035 0.000 0.918 135 K HN 0.934 nan 8.250 nan 0.000 0.476 136 G N 2.084 110.865 108.800 -0.032 0.000 2.234 136 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.235 136 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.235 136 G C 0.125 175.009 174.900 -0.026 0.000 0.997 136 G CA 0.031 45.114 45.100 -0.027 0.000 0.623 136 G HN 0.942 nan 8.290 nan 0.000 0.514 137 A N 0.442 123.245 122.820 -0.029 0.000 2.407 137 A HA 0.644 4.964 4.320 -0.000 0.000 0.248 137 A C 0.797 178.365 177.584 -0.026 0.000 1.082 137 A CA 1.331 53.353 52.037 -0.026 0.000 0.785 137 A CB 0.421 19.404 19.000 -0.028 0.000 1.020 137 A HN 1.461 nan 8.150 nan 0.000 0.489 138 T N 2.109 116.649 114.554 -0.023 0.000 2.884 138 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 138 T C -0.428 174.258 174.700 -0.024 0.000 0.998 138 T CA -0.099 61.989 62.100 -0.021 0.000 1.124 138 T CB -0.276 68.582 68.868 -0.017 0.000 0.931 138 T HN 0.528 nan 8.240 nan 0.000 0.531 139 L N 5.004 126.213 121.223 -0.022 0.000 2.441 139 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 139 L C -0.352 176.508 176.870 -0.017 0.000 0.973 139 L CA -0.884 53.942 54.840 -0.024 0.000 0.842 139 L CB 1.745 43.791 42.059 -0.022 0.000 1.239 139 L HN 0.682 nan 8.230 nan 0.000 0.406 140 K N 5.173 125.556 120.400 -0.028 0.000 2.234 140 K HA 0.488 4.808 4.320 -0.000 0.000 0.282 140 K C -0.895 175.697 176.600 -0.014 0.000 1.039 140 K CA -0.439 55.840 56.287 -0.013 0.000 0.928 140 K CB 0.991 33.448 32.500 -0.070 0.000 1.039 140 K HN 0.551 nan 8.250 nan 0.000 0.470 141 I N 3.285 123.871 120.570 0.027 0.000 2.321 141 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 141 I C 0.294 176.437 176.117 0.044 0.000 0.998 141 I CA -0.357 60.951 61.300 0.014 0.000 1.227 141 I CB 1.865 39.861 38.000 -0.006 0.000 1.368 141 I HN 0.598 nan 8.210 nan 0.000 0.466 142 T N 6.137 120.707 114.554 0.027 0.000 2.918 142 T HA 0.572 4.922 4.350 -0.000 0.000 0.286 142 T C 0.553 175.272 174.700 0.032 0.000 1.026 142 T CA -0.485 61.664 62.100 0.081 0.000 1.031 142 T CB 1.097 70.012 68.868 0.078 0.000 1.046 142 T HN 0.486 nan 8.240 nan 0.000 0.479 143 L N 1.815 123.080 121.223 0.071 0.000 2.766 143 L HA 0.367 4.707 4.340 -0.000 0.000 0.242 143 L C 0.388 177.419 176.870 0.269 0.000 1.136 143 L CA -0.213 54.618 54.840 -0.016 0.000 0.933 143 L CB 0.289 42.314 42.059 -0.056 0.000 1.241 143 L HN 0.565 nan 8.230 nan 0.000 0.522 144 D N 0.832 121.462 120.400 0.384 0.000 2.346 144 D HA -0.012 4.628 4.640 -0.000 0.000 0.260 144 D C 1.046 177.627 176.300 0.468 0.000 1.252 144 D CA 0.312 54.544 54.000 0.388 0.000 0.895 144 D CB 0.409 41.428 40.800 0.365 0.000 1.097 144 D HN 0.052 nan 8.370 nan 0.000 0.489 145 N N 2.986 121.887 118.700 0.335 0.000 2.585 145 N HA -0.163 4.576 4.740 -0.000 0.000 0.188 145 N C 1.237 176.648 175.510 -0.165 0.000 1.102 145 N CA 0.332 53.444 53.050 0.104 0.000 0.920 145 N CB 0.200 38.754 38.487 0.110 0.000 0.963 145 N HN 0.482 nan 8.380 nan 0.000 0.447 146 A N 0.122 122.859 122.820 -0.138 0.000 2.015 146 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 146 A C 0.977 178.308 177.584 -0.422 0.000 1.163 146 A CA 0.944 52.790 52.037 -0.319 0.000 0.646 146 A CB -0.347 18.400 19.000 -0.422 0.000 0.806 146 A HN 0.317 nan 8.150 nan 0.000 0.448 147 Y N -1.150 119.094 120.300 -0.094 0.000 2.493 147 Y HA 0.252 4.802 4.550 -0.000 0.000 0.275 147 Y C 1.857 177.615 175.900 -0.237 0.000 1.183 147 Y CA 0.135 58.193 58.100 -0.070 0.000 1.258 147 Y CB -0.372 38.140 38.460 0.086 0.000 1.108 147 Y HN 0.351 nan 8.280 nan 0.000 0.521 148 M N 0.119 119.388 119.600 -0.552 0.000 2.149 148 M HA -0.234 4.245 4.480 -0.000 0.000 0.261 148 M C 0.619 176.651 176.300 -0.447 0.000 1.064 148 M CA 2.099 56.759 55.300 -1.067 0.000 1.102 148 M CB 0.156 32.030 32.600 -1.211 0.000 1.369 148 M HN 0.247 nan 8.290 nan 0.000 0.408 149 E N -0.590 119.461 120.200 -0.249 0.000 2.651 149 E HA 0.119 4.469 4.350 -0.000 0.000 0.208 149 E C -0.482 176.096 176.600 -0.037 0.000 0.997 149 E CA -0.025 56.303 56.400 -0.120 0.000 1.020 149 E CB 0.583 30.210 29.700 -0.123 0.000 1.052 149 E HN 0.344 nan 8.360 nan 0.000 0.465 150 K N 0.773 121.181 120.400 0.013 0.000 3.309 150 K HA 0.254 4.574 4.320 -0.000 0.000 0.187 150 K C -0.992 175.686 176.600 0.131 0.000 1.085 150 K CA -0.319 56.012 56.287 0.072 0.000 0.867 150 K CB 0.589 33.137 32.500 0.080 0.000 0.846 150 K HN 0.027 nan 8.250 nan 0.000 0.522 151 C N 1.413 120.781 119.300 0.113 0.000 2.593 151 C HA 0.351 4.811 4.460 -0.000 0.000 0.409 151 C C 0.620 175.657 174.990 0.078 0.000 1.304 151 C CA -0.242 58.846 59.018 0.117 0.000 2.007 151 C CB -0.069 27.754 27.740 0.139 0.000 2.614 151 C HN 0.573 nan 8.230 nan 0.000 0.585 152 D N 0.347 120.779 120.400 0.054 0.000 2.837 152 D HA 0.230 4.870 4.640 -0.000 0.000 0.294 152 D C 0.652 176.964 176.300 0.021 0.000 1.158 152 D CA -0.573 53.448 54.000 0.036 0.000 1.073 152 D CB 0.455 41.270 40.800 0.026 0.000 1.419 152 D HN 0.465 nan 8.370 nan 0.000 0.584 153 E N -0.184 120.023 120.200 0.012 0.000 2.150 153 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 153 E C 0.964 177.555 176.600 -0.016 0.000 0.985 153 E CA 1.331 57.731 56.400 0.000 0.000 0.814 153 E CB -0.097 29.602 29.700 -0.002 0.000 0.752 153 E HN 0.304 nan 8.360 nan 0.000 0.466 154 N N -0.640 118.043 118.700 -0.028 0.000 2.388 154 N HA 0.214 4.954 4.740 -0.000 0.000 0.176 154 N C -0.343 175.116 175.510 -0.086 0.000 1.062 154 N CA 0.220 53.239 53.050 -0.052 0.000 0.895 154 N CB 0.896 39.349 38.487 -0.057 0.000 1.018 154 N HN 0.013 nan 8.380 nan 0.000 0.456 155 I N 1.250 121.765 120.570 -0.092 0.000 2.478 155 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 155 I C -1.576 174.512 176.117 -0.049 0.000 1.042 155 I CA -0.818 60.390 61.300 -0.154 0.000 1.067 155 I CB 2.281 40.070 38.000 -0.352 0.000 1.233 155 I HN -0.096 nan 8.210 nan 0.000 0.431 156 L N 7.029 128.245 121.223 -0.011 0.000 2.376 156 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 156 L C -1.475 175.480 176.870 0.141 0.000 0.987 156 L CA -0.166 54.719 54.840 0.076 0.000 0.828 156 L CB 1.525 43.614 42.059 0.049 0.000 1.249 156 L HN 0.629 nan 8.230 nan 0.000 0.409 157 W N 7.373 128.695 121.300 0.038 0.000 2.365 157 W HA 0.617 5.276 4.660 -0.000 0.000 0.316 157 W C -1.341 175.217 176.519 0.065 0.000 1.164 157 W CA -0.584 56.802 57.345 0.068 0.000 1.204 157 W CB 1.255 30.781 29.460 0.110 0.000 1.213 157 W HN 0.528 nan 8.180 nan 0.000 0.539 158 L N 3.096 123.919 121.223 -0.667 0.000 2.327 158 L HA 0.597 4.937 4.340 -0.000 0.000 0.258 158 L C 0.227 176.301 176.870 -1.325 0.000 1.024 158 L CA -0.821 53.590 54.840 -0.716 0.000 0.825 158 L CB 1.690 43.589 42.059 -0.267 0.000 1.386 158 L HN 0.513 nan 8.230 nan 0.000 0.417 159 D N -1.192 118.737 120.400 -0.786 0.000 2.339 159 D HA -0.015 4.625 4.640 -0.000 0.000 0.217 159 D C -0.016 176.190 176.300 -0.157 0.000 1.050 159 D CA 0.286 53.973 54.000 -0.521 0.000 0.856 159 D CB -0.273 40.488 40.800 -0.064 0.000 0.922 159 D HN 0.496 nan 8.370 nan 0.000 0.518 160 Y N 2.209 122.335 120.300 -0.291 0.000 2.535 160 Y HA 0.283 4.833 4.550 -0.000 0.000 0.349 160 Y C 0.869 176.670 175.900 -0.165 0.000 0.992 160 Y CA -1.398 56.595 58.100 -0.178 0.000 1.248 160 Y CB 0.815 39.185 38.460 -0.149 0.000 1.124 160 Y HN -0.314 nan 8.280 nan 0.000 0.520 161 K N 3.152 123.472 120.400 -0.134 0.000 2.217 161 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 161 K C 0.537 176.923 176.600 -0.357 0.000 1.051 161 K CA 0.796 56.961 56.287 -0.204 0.000 0.952 161 K CB 0.113 32.575 32.500 -0.063 0.000 0.736 161 K HN 0.564 nan 8.250 nan 0.000 0.453 162 N N 1.106 119.446 118.700 -0.600 0.000 2.313 162 N HA 0.095 4.835 4.740 -0.000 0.000 0.207 162 N C 1.236 176.237 175.510 -0.849 0.000 1.141 162 N CA -0.039 52.668 53.050 -0.572 0.000 0.830 162 N CB -0.053 38.277 38.487 -0.261 0.000 1.008 162 N HN 0.158 nan 8.380 nan 0.000 0.481 163 I N -0.321 119.595 120.570 -1.091 0.000 2.163 163 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 163 I C 1.199 177.132 176.117 -0.307 0.000 1.085 163 I CA 1.276 62.157 61.300 -0.698 0.000 1.347 163 I CB 0.076 37.839 38.000 -0.396 0.000 1.044 163 I HN 0.165 nan 8.210 nan 0.000 0.408 164 C N 1.298 120.439 119.300 -0.265 0.000 2.419 164 C HA -0.077 4.383 4.460 -0.000 0.000 0.283 164 C C 2.152 177.053 174.990 -0.149 0.000 1.373 164 C CA 0.384 59.293 59.018 -0.181 0.000 1.781 164 C CB -1.230 26.402 27.740 -0.179 0.000 1.886 164 C HN 0.434 nan 8.230 nan 0.000 0.520 165 K N 0.188 120.491 120.400 -0.161 0.000 2.417 165 K HA 0.217 4.537 4.320 -0.000 0.000 0.196 165 K C 1.168 177.726 176.600 -0.069 0.000 1.023 165 K CA 0.340 56.563 56.287 -0.107 0.000 1.122 165 K CB 0.167 32.606 32.500 -0.101 0.000 0.850 165 K HN 0.426 nan 8.250 nan 0.000 0.521 166 V N 0.049 119.924 119.914 -0.066 0.000 3.359 166 V HA 0.058 4.177 4.120 -0.000 0.000 0.270 166 V C -0.022 176.071 176.094 -0.003 0.000 1.583 166 V CA -0.133 62.163 62.300 -0.006 0.000 1.019 166 V CB 1.177 33.042 31.823 0.069 0.000 0.831 166 V HN 0.006 nan 8.190 nan 0.000 0.426 167 V N -0.764 119.134 119.914 -0.028 0.000 2.837 167 V HA 0.772 4.892 4.120 -0.000 0.000 0.310 167 V C -0.629 175.440 176.094 -0.041 0.000 1.059 167 V CA -0.346 61.939 62.300 -0.024 0.000 1.004 167 V CB 1.665 33.473 31.823 -0.026 0.000 1.045 167 V HN 0.312 nan 8.190 nan 0.000 0.465 168 D N 0.489 120.869 120.400 -0.034 0.000 2.533 168 D HA 0.587 5.227 4.640 -0.000 0.000 0.247 168 D C -0.807 175.469 176.300 -0.040 0.000 1.056 168 D CA -0.508 53.468 54.000 -0.039 0.000 1.054 168 D CB 1.938 42.721 40.800 -0.030 0.000 1.400 168 D HN 0.591 nan 8.370 nan 0.000 0.533 169 V N 1.015 120.905 119.914 -0.041 0.000 2.479 169 V HA 0.418 4.538 4.120 -0.000 0.000 0.281 169 V C 1.441 177.517 176.094 -0.030 0.000 1.031 169 V CA 1.326 63.603 62.300 -0.038 0.000 1.038 169 V CB 0.236 32.036 31.823 -0.038 0.000 0.981 169 V HN 0.924 nan 8.190 nan 0.000 0.478 170 G N 3.836 112.618 108.800 -0.030 0.000 2.194 170 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.236 170 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.236 170 G C 0.396 175.280 174.900 -0.026 0.000 0.987 170 G CA 0.150 45.234 45.100 -0.027 0.000 0.635 170 G HN 1.209 nan 8.290 nan 0.000 0.520 171 S N 0.040 115.724 115.700 -0.026 0.000 2.593 171 S HA 0.639 5.108 4.470 -0.000 0.000 0.269 171 S C 0.092 174.671 174.600 -0.035 0.000 1.334 171 S CA 0.041 58.230 58.200 -0.019 0.000 1.015 171 S CB 1.611 64.803 63.200 -0.013 0.000 0.912 171 S HN 0.460 nan 8.310 nan 0.000 0.541 172 K N 0.776 121.162 120.400 -0.024 0.000 2.159 172 K HA 0.613 4.933 4.320 -0.000 0.000 0.266 172 K C -1.169 175.373 176.600 -0.096 0.000 0.975 172 K CA -0.859 55.367 56.287 -0.103 0.000 0.865 172 K CB 1.898 34.337 32.500 -0.103 0.000 1.087 172 K HN 0.490 nan 8.250 nan 0.000 0.446 173 V N 4.557 124.343 119.914 -0.214 0.000 2.487 173 V HA 0.429 4.548 4.120 -0.000 0.000 0.298 173 V C -1.738 174.210 176.094 -0.245 0.000 1.028 173 V CA -0.531 61.701 62.300 -0.114 0.000 0.860 173 V CB 0.629 32.420 31.823 -0.053 0.000 0.991 173 V HN 0.604 nan 8.190 nan 0.000 0.427 174 Y N 4.323 124.632 120.300 0.014 0.000 2.387 174 Y HA 0.773 5.323 4.550 -0.000 0.000 0.336 174 Y C 0.142 176.059 175.900 0.028 0.000 1.067 174 Y CA -0.630 57.483 58.100 0.022 0.000 1.114 174 Y CB 2.272 40.747 38.460 0.026 0.000 1.208 174 Y HN 0.492 nan 8.280 nan 0.000 0.458 175 V N 1.955 121.970 119.914 0.169 0.000 2.760 175 V HA 0.302 4.422 4.120 -0.000 0.000 0.309 175 V C -1.006 175.162 176.094 0.124 0.000 1.077 175 V CA -1.243 61.127 62.300 0.118 0.000 0.910 175 V CB 1.733 33.599 31.823 0.073 0.000 1.008 175 V HN 0.830 nan 8.190 nan 0.000 0.424 176 D N 3.974 124.443 120.400 0.116 0.000 3.437 176 D HA -0.143 4.497 4.640 -0.000 0.000 0.243 176 D C 0.228 176.594 176.300 0.110 0.000 1.104 176 D CA 1.137 55.203 54.000 0.111 0.000 1.009 176 D CB -0.709 40.154 40.800 0.105 0.000 0.937 176 D HN 0.896 nan 8.370 nan 0.000 0.417 177 D N 0.982 121.446 120.400 0.107 0.000 2.837 177 D HA -0.153 4.487 4.640 -0.000 0.000 0.230 177 D C 1.303 177.654 176.300 0.083 0.000 1.152 177 D CA 2.411 56.464 54.000 0.089 0.000 0.736 177 D CB -1.492 39.355 40.800 0.079 0.000 1.084 177 D HN 1.236 nan 8.370 nan 0.000 0.429 178 G N -1.127 107.743 108.800 0.116 0.000 2.166 178 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.260 178 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.260 178 G C 1.158 176.178 174.900 0.200 0.000 0.986 178 G CA 0.771 45.959 45.100 0.146 0.000 0.683 178 G HN 0.519 nan 8.290 nan 0.000 0.527 179 L N -0.646 120.667 121.223 0.150 0.000 2.131 179 L HA 0.306 4.646 4.340 -0.000 0.000 0.206 179 L C 1.593 178.536 176.870 0.121 0.000 1.087 179 L CA 0.793 55.707 54.840 0.123 0.000 0.767 179 L CB -0.030 42.088 42.059 0.098 0.000 0.917 179 L HN 0.306 nan 8.230 nan 0.000 0.441 180 I N -0.290 120.352 120.570 0.120 0.000 2.359 180 I HA 0.186 4.356 4.170 -0.000 0.000 0.294 180 I C -0.057 176.078 176.117 0.031 0.000 0.987 180 I CA -0.259 61.080 61.300 0.064 0.000 1.225 180 I CB 1.579 39.605 38.000 0.043 0.000 1.366 180 I HN 0.015 nan 8.210 nan 0.000 0.466 181 S N 7.165 122.822 115.700 -0.071 0.000 2.521 181 S HA 0.849 5.319 4.470 -0.000 0.000 0.295 181 S C -0.874 173.586 174.600 -0.233 0.000 1.098 181 S CA -0.840 57.176 58.200 -0.307 0.000 0.999 181 S CB 1.548 64.524 63.200 -0.373 0.000 1.034 181 S HN 0.464 nan 8.310 nan 0.000 0.483 182 L N 1.730 122.788 121.223 -0.275 0.000 2.354 182 L HA 0.666 5.006 4.340 -0.000 0.000 0.264 182 L C -0.364 176.401 176.870 -0.176 0.000 1.008 182 L CA -0.785 53.954 54.840 -0.167 0.000 0.819 182 L CB 2.027 44.020 42.059 -0.109 0.000 1.339 182 L HN 0.722 nan 8.230 nan 0.000 0.420 183 Q N 0.910 120.643 119.800 -0.112 0.000 2.321 183 Q HA 0.448 4.788 4.340 -0.000 0.000 0.270 183 Q C -1.355 174.610 176.000 -0.060 0.000 1.032 183 Q CA -0.757 54.992 55.803 -0.089 0.000 0.784 183 Q CB 2.599 31.293 28.738 -0.074 0.000 1.264 183 Q HN 0.499 nan 8.270 nan 0.000 0.448 184 V N 5.526 125.408 119.914 -0.053 0.000 2.458 184 V HA -0.045 4.075 4.120 -0.000 0.000 0.287 184 V C 0.791 176.864 176.094 -0.035 0.000 1.009 184 V CA 0.644 62.919 62.300 -0.042 0.000 1.091 184 V CB 0.513 32.309 31.823 -0.045 0.000 0.960 184 V HN 0.774 nan 8.190 nan 0.000 0.476 185 K N 3.151 123.536 120.400 -0.025 0.000 2.350 185 K HA 0.207 4.527 4.320 -0.000 0.000 0.196 185 K C 0.583 177.173 176.600 -0.017 0.000 1.084 185 K CA 0.441 56.716 56.287 -0.019 0.000 0.967 185 K CB 0.650 33.142 32.500 -0.012 0.000 0.950 185 K HN 0.714 nan 8.250 nan 0.000 0.512 186 Q N 0.734 120.526 119.800 -0.013 0.000 2.359 186 Q HA 0.276 4.616 4.340 -0.000 0.000 0.274 186 Q C -1.247 174.711 176.000 -0.070 0.000 1.074 186 Q CA -0.518 55.273 55.803 -0.019 0.000 0.810 186 Q CB 2.331 31.087 28.738 0.031 0.000 1.342 186 Q HN -0.228 nan 8.270 nan 0.000 0.427 192 L N 2.925 124.226 121.223 0.131 0.000 2.406 192 L HA 0.693 5.033 4.340 -0.000 0.000 0.272 192 L C -1.007 175.941 176.870 0.130 0.000 0.980 192 L CA -1.258 53.600 54.840 0.030 0.000 0.831 192 L CB 1.972 44.013 42.059 -0.031 0.000 1.253 192 L HN 0.621 nan 8.230 nan 0.000 0.406 193 V N 1.956 121.947 119.914 0.129 0.000 2.385 193 V HA 0.471 4.591 4.120 -0.000 0.000 0.269 193 V C 0.568 176.679 176.094 0.030 0.000 1.043 193 V CA -0.226 62.136 62.300 0.103 0.000 0.906 193 V CB 1.178 33.080 31.823 0.131 0.000 0.995 193 V HN 0.906 nan 8.190 nan 0.000 0.467 194 T N 1.829 116.388 114.554 0.009 0.000 2.910 194 T HA 0.814 5.164 4.350 -0.000 0.000 0.287 194 T C -0.709 173.978 174.700 -0.021 0.000 1.050 194 T CA -0.880 61.210 62.100 -0.016 0.000 1.011 194 T CB 2.371 71.220 68.868 -0.032 0.000 1.195 194 T HN 0.787 nan 8.240 nan 0.000 0.540 195 E N 0.152 120.332 120.200 -0.033 0.000 2.266 195 E HA 0.591 4.941 4.350 -0.000 0.000 0.268 195 E C -1.267 175.304 176.600 -0.048 0.000 0.879 195 E CA -1.285 55.095 56.400 -0.035 0.000 0.762 195 E CB 1.974 31.657 29.700 -0.029 0.000 1.199 195 E HN 0.426 nan 8.360 nan 0.000 0.422 196 V N 3.490 123.377 119.914 -0.045 0.000 2.446 196 V HA -0.016 4.104 4.120 -0.000 0.000 0.276 196 V C 0.880 176.942 176.094 -0.052 0.000 1.030 196 V CA 0.321 62.590 62.300 -0.052 0.000 1.033 196 V CB 0.347 32.144 31.823 -0.045 0.000 0.993 196 V HN 0.817 nan 8.190 nan 0.000 0.477 197 E N 3.204 123.364 120.200 -0.066 0.000 2.035 197 E HA 0.067 4.417 4.350 -0.000 0.000 0.191 197 E C 0.368 176.946 176.600 -0.038 0.000 0.966 197 E CA 0.381 56.748 56.400 -0.055 0.000 0.823 197 E CB 0.168 29.824 29.700 -0.073 0.000 0.791 197 E HN 0.658 nan 8.360 nan 0.000 0.459 198 N N 1.099 119.777 118.700 -0.037 0.000 2.426 198 N HA 0.203 4.943 4.740 -0.000 0.000 0.275 198 N C -0.217 175.279 175.510 -0.023 0.000 1.019 198 N CA -0.125 52.916 53.050 -0.014 0.000 0.941 198 N CB 1.851 40.351 38.487 0.023 0.000 1.123 198 N HN 0.074 nan 8.380 nan 0.000 0.486 199 G N 0.130 108.910 108.800 -0.034 0.000 2.531 199 G HA2 0.745 4.704 3.960 -0.000 0.000 0.281 199 G HA3 0.745 4.704 3.960 -0.000 0.000 0.281 199 G C 0.004 174.866 174.900 -0.064 0.000 1.382 199 G CA -0.184 44.883 45.100 -0.056 0.000 1.045 199 G HN 0.711 nan 8.290 nan 0.000 0.533 200 G N -2.639 106.085 108.800 -0.127 0.000 2.351 200 G HA2 0.355 4.314 3.960 -0.000 0.000 0.353 200 G HA3 0.355 4.314 3.960 -0.000 0.000 0.353 200 G C -0.880 173.915 174.900 -0.176 0.000 1.358 200 G CA -1.038 43.958 45.100 -0.172 0.000 0.995 200 G HN 0.551 nan 8.290 nan 0.000 0.611 201 F N -0.458 119.506 119.950 0.024 0.000 2.518 201 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 201 F C 0.731 176.549 175.800 0.030 0.000 1.118 201 F CA -0.103 57.911 58.000 0.024 0.000 1.287 201 F CB 1.235 40.248 39.000 0.023 0.000 1.132 201 F HN 0.406 nan 8.300 nan 0.000 0.587 202 L N 3.093 124.450 121.223 0.223 0.000 2.372 202 L HA 0.705 5.045 4.340 -0.000 0.000 0.274 202 L C -0.006 176.941 176.870 0.129 0.000 0.988 202 L CA -0.082 54.845 54.840 0.145 0.000 0.833 202 L CB 1.081 43.201 42.059 0.101 0.000 1.236 202 L HN 0.625 nan 8.230 nan 0.000 0.410 203 G N 2.454 111.318 108.800 0.107 0.000 2.630 203 G HA2 0.500 4.460 3.960 -0.000 0.000 0.223 203 G HA3 0.500 4.460 3.960 -0.000 0.000 0.223 203 G C -0.789 174.160 174.900 0.081 0.000 1.434 203 G CA -0.501 44.647 45.100 0.079 0.000 1.057 203 G HN 0.594 nan 8.290 nan 0.000 0.570 204 S N -0.946 114.796 115.700 0.070 0.000 2.565 204 S HA 0.477 4.946 4.470 -0.000 0.000 0.290 204 S C 0.043 174.702 174.600 0.098 0.000 1.150 204 S CA -0.414 57.835 58.200 0.082 0.000 1.058 204 S CB 1.509 64.745 63.200 0.061 0.000 1.032 204 S HN 0.589 nan 8.310 nan 0.000 0.510 205 K N 0.926 121.403 120.400 0.128 0.000 3.150 205 K HA -0.135 4.185 4.320 -0.000 0.000 0.267 205 K C -0.917 175.774 176.600 0.152 0.000 1.028 205 K CA 0.557 56.935 56.287 0.152 0.000 0.753 205 K CB -1.054 31.537 32.500 0.151 0.000 1.288 205 K HN 0.340 nan 8.250 nan 0.000 0.473 206 K N -0.089 120.392 120.400 0.134 0.000 2.098 206 K HA 0.434 4.754 4.320 -0.000 0.000 0.261 206 K C 0.872 177.544 176.600 0.120 0.000 0.987 206 K CA 0.045 56.407 56.287 0.125 0.000 0.916 206 K CB 1.057 33.623 32.500 0.110 0.000 1.039 206 K HN 0.335 nan 8.250 nan 0.000 0.455 207 G N 0.385 109.258 108.800 0.122 0.000 2.442 207 G HA2 0.353 4.313 3.960 -0.000 0.000 0.249 207 G HA3 0.353 4.313 3.960 -0.000 0.000 0.249 207 G C -0.627 174.330 174.900 0.094 0.000 1.263 207 G CA -0.395 44.770 45.100 0.109 0.000 0.846 207 G HN 0.225 nan 8.290 nan 0.000 0.555 208 V N 3.323 123.276 119.914 0.065 0.000 2.540 208 V HA 0.378 4.498 4.120 -0.000 0.000 0.302 208 V C -0.323 175.799 176.094 0.047 0.000 1.035 208 V CA -1.060 61.277 62.300 0.063 0.000 0.873 208 V CB 1.733 33.579 31.823 0.038 0.000 0.992 208 V HN 0.756 nan 8.190 nan 0.000 0.428 209 N N 4.537 123.297 118.700 0.101 0.000 2.321 209 N HA 0.601 5.341 4.740 -0.000 0.000 0.299 209 N C -1.222 174.367 175.510 0.131 0.000 1.048 209 N CA -0.531 52.572 53.050 0.088 0.000 0.836 209 N CB 2.840 41.382 38.487 0.092 0.000 1.269 209 N HN 0.471 nan 8.380 nan 0.000 0.486 210 L N 2.822 124.087 121.223 0.070 0.000 2.502 210 L HA 0.377 4.717 4.340 -0.000 0.000 0.247 210 L C -2.429 174.484 176.870 0.071 0.000 1.180 210 L CA -1.652 53.241 54.840 0.088 0.000 0.956 210 L CB 0.967 43.065 42.059 0.064 0.000 1.282 210 L HN 0.179 nan 8.230 nan 0.000 0.470 211 P HA 0.199 nan 4.420 nan 0.000 0.271 211 P C 1.032 178.352 177.300 0.033 0.000 1.216 211 P CA 0.495 63.626 63.100 0.051 0.000 0.771 211 P CB 1.317 33.043 31.700 0.043 0.000 0.864 212 G N 1.635 110.429 108.800 -0.010 0.000 2.320 212 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.242 212 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.242 212 G C 0.446 175.341 174.900 -0.008 0.000 1.033 212 G CA 0.079 45.161 45.100 -0.030 0.000 0.620 212 G HN 0.873 nan 8.290 nan 0.000 0.517 213 A N 0.408 123.236 122.820 0.013 0.000 2.371 213 A HA 0.789 5.109 4.320 -0.000 0.000 0.257 213 A C 0.888 178.484 177.584 0.020 0.000 1.089 213 A CA 1.042 53.093 52.037 0.022 0.000 0.794 213 A CB 0.889 19.916 19.000 0.044 0.000 1.029 213 A HN 1.969 nan 8.150 nan 0.000 0.488 214 A N 2.867 125.702 122.820 0.025 0.000 3.168 214 A HA 0.482 4.802 4.320 -0.000 0.000 0.260 214 A C 0.259 177.863 177.584 0.033 0.000 1.598 214 A CA -0.389 51.662 52.037 0.023 0.000 1.285 214 A CB -1.006 18.007 19.000 0.022 0.000 1.149 214 A HN 0.926 nan 8.150 nan 0.000 0.630 215 V N 2.345 122.264 119.914 0.008 0.000 2.644 215 V HA -0.112 4.008 4.120 -0.000 0.000 0.303 215 V C 1.033 177.102 176.094 -0.042 0.000 1.058 215 V CA 1.283 63.561 62.300 -0.037 0.000 1.228 215 V CB -0.109 31.565 31.823 -0.248 0.000 0.861 215 V HN 0.884 nan 8.190 nan 0.000 0.484 216 D N 4.211 124.655 120.400 0.074 0.000 2.427 216 D HA 0.105 4.745 4.640 -0.000 0.000 0.224 216 D C 0.316 176.635 176.300 0.032 0.000 1.157 216 D CA -0.303 53.734 54.000 0.062 0.000 0.828 216 D CB 0.021 40.881 40.800 0.099 0.000 0.974 216 D HN 0.475 nan 8.370 nan 0.000 0.498 217 L N 1.231 122.405 121.223 -0.081 0.000 2.467 217 L HA 0.229 4.568 4.340 -0.000 0.000 0.270 217 L C -1.564 175.275 176.870 -0.052 0.000 1.205 217 L CA -1.472 53.314 54.840 -0.089 0.000 0.828 217 L CB 0.018 41.931 42.059 -0.244 0.000 1.101 217 L HN -0.051 nan 8.230 nan 0.000 0.479 218 P HA 0.058 nan 4.420 nan 0.000 0.271 218 P C 0.010 177.309 177.300 -0.003 0.000 1.216 218 P CA -0.310 62.789 63.100 -0.002 0.000 0.776 218 P CB 1.175 32.882 31.700 0.013 0.000 0.881 219 A N 3.460 126.287 122.820 0.011 0.000 1.908 219 A HA -0.040 4.279 4.320 -0.000 0.000 0.218 219 A C 0.952 178.558 177.584 0.037 0.000 1.181 219 A CA 1.442 53.496 52.037 0.029 0.000 0.627 219 A CB -0.572 18.444 19.000 0.027 0.000 0.818 219 A HN 0.446 nan 8.150 nan 0.000 0.445 220 V N 1.186 121.118 119.914 0.030 0.000 2.380 220 V HA 0.374 4.493 4.120 -0.000 0.000 0.286 220 V C 0.162 176.274 176.094 0.030 0.000 1.015 220 V CA -0.287 62.032 62.300 0.032 0.000 0.834 220 V CB 0.984 32.824 31.823 0.029 0.000 1.009 220 V HN 0.538 nan 8.190 nan 0.000 0.428 221 S N 2.728 118.448 115.700 0.033 0.000 2.655 221 S HA 0.273 4.743 4.470 -0.000 0.000 0.265 221 S C 1.233 175.855 174.600 0.038 0.000 1.240 221 S CA 0.078 58.298 58.200 0.033 0.000 0.986 221 S CB 1.030 64.250 63.200 0.033 0.000 0.985 221 S HN 0.884 nan 8.310 nan 0.000 0.562 222 E N 0.584 120.807 120.200 0.038 0.000 2.118 222 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 222 E C 1.853 178.483 176.600 0.049 0.000 0.992 222 E CA 1.099 57.524 56.400 0.041 0.000 0.804 222 E CB -0.248 29.475 29.700 0.038 0.000 0.741 222 E HN 0.661 nan 8.360 nan 0.000 0.458 223 K N 0.781 121.211 120.400 0.051 0.000 2.057 223 K HA -0.199 4.120 4.320 -0.000 0.000 0.207 223 K C 1.503 178.151 176.600 0.080 0.000 1.049 223 K CA 1.880 58.205 56.287 0.063 0.000 0.931 223 K CB -0.120 32.418 32.500 0.063 0.000 0.714 223 K HN 0.140 nan 8.250 nan 0.000 0.440 224 D N 0.935 121.373 120.400 0.063 0.000 2.117 224 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 224 D C 2.011 178.334 176.300 0.037 0.000 0.987 224 D CA 1.095 55.123 54.000 0.047 0.000 0.829 224 D CB -0.220 40.604 40.800 0.039 0.000 0.961 224 D HN 0.310 nan 8.370 nan 0.000 0.460 225 I N 0.896 121.493 120.570 0.045 0.000 2.163 225 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 225 I C 2.445 178.605 176.117 0.071 0.000 1.085 225 I CA 1.172 62.500 61.300 0.046 0.000 1.347 225 I CB -0.314 37.713 38.000 0.044 0.000 1.044 225 I HN -0.020 nan 8.210 nan 0.000 0.408 226 Q N 0.536 120.397 119.800 0.101 0.000 2.096 226 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 226 Q C 1.792 177.946 176.000 0.256 0.000 0.982 226 Q CA 1.698 57.607 55.803 0.177 0.000 0.850 226 Q CB -0.167 28.665 28.738 0.156 0.000 0.901 226 Q HN 0.492 nan 8.270 nan 0.000 0.422 227 D N 0.484 120.992 120.400 0.179 0.000 2.144 227 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 227 D C 1.899 178.132 176.300 -0.112 0.000 0.978 227 D CA 0.860 54.874 54.000 0.024 0.000 0.833 227 D CB -0.096 40.647 40.800 -0.095 0.000 0.961 227 D HN 0.194 nan 8.370 nan 0.000 0.470 228 L N 0.580 121.766 121.223 -0.062 0.000 2.056 228 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 228 L C 2.326 179.178 176.870 -0.029 0.000 1.078 228 L CA 0.903 55.700 54.840 -0.072 0.000 0.749 228 L CB -0.242 41.792 42.059 -0.041 0.000 0.901 228 L HN -0.104 nan 8.230 nan 0.000 0.433 229 K N -0.148 120.270 120.400 0.030 0.000 2.063 229 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 229 K C 2.045 178.674 176.600 0.048 0.000 1.048 229 K CA 1.553 57.868 56.287 0.046 0.000 0.928 229 K CB -0.783 31.768 32.500 0.085 0.000 0.713 229 K HN 0.178 nan 8.250 nan 0.000 0.442 230 F N 1.582 121.478 119.950 -0.090 0.000 2.126 230 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 230 F C 2.115 177.818 175.800 -0.162 0.000 1.096 230 F CA 1.932 59.833 58.000 -0.166 0.000 1.255 230 F CB -0.616 38.112 39.000 -0.454 0.000 0.997 230 F HN 0.091 nan 8.300 nan 0.000 0.479 231 G N -0.080 108.633 108.800 -0.145 0.000 2.418 231 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 231 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 231 G C 1.725 176.502 174.900 -0.205 0.000 1.158 231 G CA 1.205 46.173 45.100 -0.220 0.000 0.771 231 G HN 0.353 nan 8.290 nan 0.000 0.545 232 V N 0.835 120.664 119.914 -0.141 0.000 2.295 232 V HA -0.189 3.930 4.120 -0.000 0.000 0.246 232 V C 2.664 178.679 176.094 -0.131 0.000 1.049 232 V CA 2.265 64.502 62.300 -0.105 0.000 1.024 232 V CB -0.612 31.176 31.823 -0.059 0.000 0.648 232 V HN 0.477 nan 8.190 nan 0.000 0.447 233 E N -0.266 119.836 120.200 -0.164 0.000 2.160 233 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 233 E C 2.059 178.510 176.600 -0.247 0.000 0.991 233 E CA 1.036 57.329 56.400 -0.179 0.000 0.810 233 E CB -0.102 29.493 29.700 -0.174 0.000 0.742 233 E HN 0.561 nan 8.360 nan 0.000 0.466 234 Q N 0.396 119.968 119.800 -0.379 0.000 2.360 234 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 234 Q C -0.212 175.672 176.000 -0.193 0.000 0.915 234 Q CA 0.267 55.856 55.803 -0.356 0.000 0.943 234 Q CB 0.536 28.925 28.738 -0.581 0.000 1.064 234 Q HN 0.171 nan 8.270 nan 0.000 0.511 235 D N 0.350 120.659 120.400 -0.150 0.000 2.800 235 D HA -0.145 4.494 4.640 -0.000 0.000 0.232 235 D C -0.150 176.108 176.300 -0.070 0.000 1.137 235 D CA 0.599 54.547 54.000 -0.086 0.000 0.718 235 D CB -1.348 39.417 40.800 -0.059 0.000 1.084 235 D HN 0.181 nan 8.370 nan 0.000 0.432 236 V N -2.716 117.141 119.914 -0.095 0.000 3.096 236 V HA 0.243 4.363 4.120 -0.000 0.000 0.306 236 V C 1.413 177.476 176.094 -0.051 0.000 1.088 236 V CA 0.481 62.735 62.300 -0.077 0.000 1.129 236 V CB 1.219 32.976 31.823 -0.111 0.000 1.014 236 V HN 0.049 nan 8.190 nan 0.000 0.486 237 D N 2.616 122.994 120.400 -0.036 0.000 2.271 237 D HA 0.164 4.804 4.640 -0.000 0.000 0.206 237 D C 0.648 176.943 176.300 -0.009 0.000 0.967 237 D CA 1.510 55.509 54.000 -0.001 0.000 0.867 237 D CB 0.454 41.275 40.800 0.035 0.000 0.960 237 D HN 0.832 nan 8.370 nan 0.000 0.509 238 M N -1.314 118.246 119.600 -0.065 0.000 2.534 238 M HA 0.456 4.936 4.480 -0.000 0.000 0.280 238 M C -1.915 174.274 176.300 -0.185 0.000 1.217 238 M CA -0.872 54.388 55.300 -0.067 0.000 0.893 238 M CB 2.852 35.460 32.600 0.013 0.000 1.730 238 M HN -0.429 nan 8.290 nan 0.000 0.483 239 V N 2.458 122.312 119.914 -0.100 0.000 2.495 239 V HA 0.581 4.701 4.120 -0.000 0.000 0.298 239 V C -1.319 174.830 176.094 0.091 0.000 1.031 239 V CA -0.372 61.856 62.300 -0.119 0.000 0.871 239 V CB 1.945 33.728 31.823 -0.066 0.000 0.988 239 V HN 0.683 nan 8.190 nan 0.000 0.432 240 F N 3.475 123.404 119.950 -0.035 0.000 2.334 240 F HA 0.654 5.181 4.527 -0.000 0.000 0.367 240 F C 0.674 176.447 175.800 -0.045 0.000 1.115 240 F CA -1.577 56.401 58.000 -0.038 0.000 1.116 240 F CB 0.937 39.919 39.000 -0.029 0.000 1.230 240 F HN 0.500 nan 8.300 nan 0.000 0.484 241 A N 2.676 125.574 122.820 0.129 0.000 2.302 241 A HA 0.552 4.871 4.320 -0.000 0.000 0.295 241 A C 0.373 177.968 177.584 0.018 0.000 1.235 241 A CA -0.376 51.694 52.037 0.056 0.000 0.876 241 A CB 0.050 19.070 19.000 0.033 0.000 1.133 241 A HN 0.596 nan 8.150 nan 0.000 0.533 242 S N 1.405 117.112 115.700 0.012 0.000 2.564 242 S HA 0.430 4.899 4.470 -0.000 0.000 0.278 242 S C -0.126 174.483 174.600 0.014 0.000 1.333 242 S CA -0.033 58.105 58.200 -0.105 0.000 1.048 242 S CB -0.323 62.834 63.200 -0.072 0.000 0.900 242 S HN 0.795 nan 8.310 nan 0.000 0.505 243 F N -0.267 119.685 119.950 0.004 0.000 3.074 243 F HA -0.159 4.368 4.527 -0.000 0.000 0.287 243 F C 0.172 175.965 175.800 -0.012 0.000 0.932 243 F CA -0.282 57.714 58.000 -0.008 0.000 0.995 243 F CB -1.720 37.269 39.000 -0.018 0.000 0.966 243 F HN 0.388 nan 8.300 nan 0.000 0.721 244 I N 1.097 121.715 120.570 0.079 0.000 2.587 244 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 244 I C 1.495 177.639 176.117 0.045 0.000 1.134 244 I CA 0.609 61.934 61.300 0.042 0.000 1.410 244 I CB 0.874 38.870 38.000 -0.006 0.000 1.392 244 I HN 0.378 nan 8.210 nan 0.000 0.545 245 R N 4.955 125.477 120.500 0.036 0.000 2.307 245 R HA 0.152 4.492 4.340 -0.000 0.000 0.200 245 R C 0.012 176.314 176.300 0.004 0.000 0.893 245 R CA 0.212 56.332 56.100 0.033 0.000 1.042 245 R CB 0.616 30.940 30.300 0.041 0.000 1.059 245 R HN 0.654 nan 8.270 nan 0.000 0.530 246 K N -2.439 117.947 120.400 -0.025 0.000 2.607 246 K HA 0.467 4.787 4.320 -0.000 0.000 0.287 246 K C -0.107 176.426 176.600 -0.112 0.000 0.996 246 K CA -0.270 55.986 56.287 -0.052 0.000 0.876 246 K CB 0.990 33.474 32.500 -0.027 0.000 1.496 246 K HN -0.165 nan 8.250 nan 0.000 0.415 247 A N 1.050 123.780 122.820 -0.151 0.000 1.948 247 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 247 A C 2.253 179.563 177.584 -0.457 0.000 1.177 247 A CA 2.497 54.347 52.037 -0.311 0.000 0.636 247 A CB -1.196 17.667 19.000 -0.227 0.000 0.815 247 A HN 0.868 nan 8.150 nan 0.000 0.449 248 A N 0.055 122.779 122.820 -0.160 0.000 1.940 248 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 248 A C 1.713 179.270 177.584 -0.045 0.000 1.176 248 A CA 1.967 53.995 52.037 -0.016 0.000 0.631 248 A CB -0.582 18.445 19.000 0.046 0.000 0.814 248 A HN 0.496 nan 8.150 nan 0.000 0.446 249 D N -0.188 120.169 120.400 -0.071 0.000 2.117 249 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 249 D C 2.070 178.334 176.300 -0.060 0.000 0.987 249 D CA 1.489 55.465 54.000 -0.040 0.000 0.829 249 D CB -0.529 40.257 40.800 -0.024 0.000 0.961 249 D HN 0.265 nan 8.370 nan 0.000 0.460 250 V N 0.777 120.602 119.914 -0.148 0.000 2.343 250 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 250 V C 2.010 178.063 176.094 -0.068 0.000 1.051 250 V CA 1.735 63.950 62.300 -0.141 0.000 1.036 250 V CB -0.873 30.814 31.823 -0.227 0.000 0.654 250 V HN 0.326 nan 8.190 nan 0.000 0.451 251 H N 0.761 119.827 119.070 -0.008 0.000 2.422 251 H HA -0.182 4.374 4.556 -0.000 0.000 0.298 251 H C 2.397 177.725 175.328 -0.001 0.000 1.098 251 H CA 1.557 57.601 56.048 -0.006 0.000 1.315 251 H CB 0.065 29.823 29.762 -0.007 0.000 1.382 251 H HN 0.706 nan 8.280 nan 0.000 0.523 252 E N 0.829 121.092 120.200 0.105 0.000 2.216 252 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 252 E C 2.015 178.641 176.600 0.043 0.000 0.988 252 E CA 1.004 57.443 56.400 0.065 0.000 0.834 252 E CB -0.158 29.572 29.700 0.049 0.000 0.772 252 E HN 0.204 nan 8.360 nan 0.000 0.479 253 V N 1.489 121.422 119.914 0.032 0.000 2.295 253 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 253 V C 2.651 178.761 176.094 0.026 0.000 1.049 253 V CA 2.163 64.475 62.300 0.021 0.000 1.024 253 V CB -0.681 31.148 31.823 0.011 0.000 0.648 253 V HN 0.253 nan 8.190 nan 0.000 0.447 254 R N 0.131 120.656 120.500 0.042 0.000 2.120 254 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 254 R C 2.394 178.715 176.300 0.036 0.000 1.123 254 R CA 1.840 57.967 56.100 0.044 0.000 0.975 254 R CB -0.185 30.156 30.300 0.069 0.000 0.866 254 R HN 0.521 nan 8.270 nan 0.000 0.446 255 K N 0.216 120.641 120.400 0.042 0.000 2.057 255 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 255 K C 1.862 178.475 176.600 0.022 0.000 1.050 255 K CA 1.173 57.478 56.287 0.030 0.000 0.935 255 K CB 0.052 32.572 32.500 0.033 0.000 0.715 255 K HN 0.070 nan 8.250 nan 0.000 0.439 256 I N 1.335 121.918 120.570 0.022 0.000 2.226 256 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 256 I C 2.195 178.318 176.117 0.011 0.000 1.100 256 I CA 0.943 62.254 61.300 0.017 0.000 1.374 256 I CB -1.067 36.944 38.000 0.017 0.000 1.057 256 I HN 0.217 nan 8.210 nan 0.000 0.413 257 L N 0.484 121.711 121.223 0.006 0.000 2.079 257 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 257 L C 1.608 178.479 176.870 0.002 0.000 1.081 257 L CA 1.674 56.513 54.840 -0.001 0.000 0.752 257 L CB -1.471 40.586 42.059 -0.002 0.000 0.896 257 L HN 0.501 nan 8.230 nan 0.000 0.433 258 G N -1.092 107.713 108.800 0.008 0.000 2.645 258 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.246 258 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.246 258 G C 0.738 175.641 174.900 0.006 0.000 1.322 258 G CA 0.496 45.601 45.100 0.008 0.000 0.898 258 G HN 0.284 nan 8.290 nan 0.000 0.573 259 E N -0.008 120.195 120.200 0.005 0.000 2.051 259 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 259 E C 2.422 179.024 176.600 0.002 0.000 0.991 259 E CA 2.247 58.649 56.400 0.004 0.000 0.799 259 E CB -0.274 29.428 29.700 0.003 0.000 0.748 259 E HN 0.572 nan 8.360 nan 0.000 0.449 260 K N -1.089 119.310 120.400 -0.001 0.000 2.147 260 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 260 K C 1.408 178.003 176.600 -0.008 0.000 1.049 260 K CA 1.312 57.596 56.287 -0.005 0.000 0.936 260 K CB -0.276 32.219 32.500 -0.009 0.000 0.722 260 K HN 0.240 nan 8.250 nan 0.000 0.446 261 G N 0.997 109.793 108.800 -0.007 0.000 3.523 261 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.270 261 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.270 261 G C 0.789 175.690 174.900 0.001 0.000 1.134 261 G CA -0.348 44.746 45.100 -0.009 0.000 0.825 261 G HN 0.342 nan 8.290 nan 0.000 0.534 262 K N -0.279 120.125 120.400 0.007 0.000 2.280 262 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 262 K C 1.202 177.816 176.600 0.022 0.000 1.047 262 K CA 1.248 57.544 56.287 0.015 0.000 0.942 262 K CB -0.189 32.320 32.500 0.014 0.000 0.739 262 K HN 0.275 nan 8.250 nan 0.000 0.457 263 N N 0.476 119.189 118.700 0.022 0.000 2.280 263 N HA 0.197 4.936 4.740 -0.000 0.000 0.192 263 N C -0.387 175.144 175.510 0.035 0.000 1.109 263 N CA -0.323 52.748 53.050 0.034 0.000 0.855 263 N CB 0.310 38.818 38.487 0.035 0.000 0.974 263 N HN 0.105 nan 8.380 nan 0.000 0.482 264 I N 1.972 122.554 120.570 0.019 0.000 2.452 264 I HA 0.018 4.187 4.170 -0.000 0.000 0.287 264 I C 0.162 176.294 176.117 0.024 0.000 1.079 264 I CA -0.257 61.050 61.300 0.012 0.000 1.387 264 I CB 0.503 38.495 38.000 -0.014 0.000 1.404 264 I HN -0.108 nan 8.210 nan 0.000 0.522 265 K N 7.491 127.913 120.400 0.037 0.000 2.322 265 K HA 0.415 4.735 4.320 -0.000 0.000 0.283 265 K C -0.391 176.238 176.600 0.048 0.000 1.042 265 K CA -0.158 56.158 56.287 0.050 0.000 0.958 265 K CB 0.932 33.473 32.500 0.068 0.000 0.984 265 K HN 0.492 nan 8.250 nan 0.000 0.473 266 I N 4.752 125.348 120.570 0.043 0.000 2.312 266 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 266 I C -0.064 176.083 176.117 0.050 0.000 1.008 266 I CA -0.615 60.711 61.300 0.045 0.000 1.226 266 I CB 0.799 38.813 38.000 0.022 0.000 1.371 266 I HN 0.185 nan 8.210 nan 0.000 0.468 267 I N 5.284 125.918 120.570 0.108 0.000 2.330 267 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 267 I C 0.310 176.447 176.117 0.032 0.000 1.001 267 I CA -0.200 61.141 61.300 0.068 0.000 1.193 267 I CB 1.156 39.229 38.000 0.122 0.000 1.345 267 I HN 0.436 nan 8.210 nan 0.000 0.461 268 S N 6.539 122.226 115.700 -0.022 0.000 2.489 268 S HA 0.288 4.758 4.470 -0.000 0.000 0.277 268 S C 0.227 174.799 174.600 -0.047 0.000 1.230 268 S CA -0.618 57.564 58.200 -0.030 0.000 1.053 268 S CB 0.605 63.774 63.200 -0.050 0.000 0.955 268 S HN 0.365 nan 8.310 nan 0.000 0.488 269 K N 2.987 123.350 120.400 -0.061 0.000 2.276 269 K HA 0.303 4.623 4.320 -0.000 0.000 0.285 269 K C -0.523 176.025 176.600 -0.087 0.000 1.062 269 K CA -0.335 55.886 56.287 -0.110 0.000 0.918 269 K CB 0.492 32.892 32.500 -0.166 0.000 1.055 269 K HN 0.421 nan 8.250 nan 0.000 0.477 270 I N 4.441 124.973 120.570 -0.063 0.000 2.297 270 I HA 0.052 4.222 4.170 -0.000 0.000 0.291 270 I C 0.729 176.803 176.117 -0.071 0.000 1.033 270 I CA 0.180 61.463 61.300 -0.028 0.000 1.253 270 I CB 0.497 38.508 38.000 0.019 0.000 1.396 270 I HN 0.807 nan 8.210 nan 0.000 0.476 271 E N 4.303 124.471 120.200 -0.052 0.000 2.862 271 E HA 0.163 4.513 4.350 -0.000 0.000 0.204 271 E C -0.584 176.062 176.600 0.076 0.000 0.966 271 E CA -0.497 55.876 56.400 -0.046 0.000 1.257 271 E CB 0.312 29.891 29.700 -0.202 0.000 1.053 271 E HN 0.666 nan 8.360 nan 0.000 0.487 272 N N -0.849 117.903 118.700 0.087 0.000 2.853 272 N HA 0.110 4.849 4.740 -0.000 0.000 0.258 272 N C 0.266 175.830 175.510 0.090 0.000 1.444 272 N CA -0.822 52.298 53.050 0.117 0.000 0.837 272 N CB 0.530 39.115 38.487 0.163 0.000 1.489 272 N HN -0.091 nan 8.380 nan 0.000 0.529 273 H N -0.335 118.746 119.070 0.019 0.000 2.321 273 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 273 H C 0.950 176.286 175.328 0.013 0.000 1.087 273 H CA 2.128 58.178 56.048 0.004 0.000 1.319 273 H CB 0.369 30.131 29.762 0.000 0.000 1.379 273 H HN 0.806 nan 8.280 nan 0.000 0.501 274 E N -0.300 119.974 120.200 0.123 0.000 2.110 274 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 274 E C 2.355 178.973 176.600 0.030 0.000 0.988 274 E CA 0.797 57.239 56.400 0.070 0.000 0.804 274 E CB -0.209 29.536 29.700 0.074 0.000 0.745 274 E HN 0.567 nan 8.360 nan 0.000 0.458 275 G N 0.412 109.235 108.800 0.040 0.000 2.422 275 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.218 275 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.218 275 G C 1.626 176.565 174.900 0.064 0.000 1.146 275 G CA 0.939 46.069 45.100 0.050 0.000 0.769 275 G HN 0.210 nan 8.290 nan 0.000 0.547 276 V N 0.606 120.505 119.914 -0.024 0.000 2.307 276 V HA -0.147 3.972 4.120 -0.000 0.000 0.245 276 V C 2.888 178.949 176.094 -0.055 0.000 1.045 276 V CA 1.961 64.211 62.300 -0.083 0.000 1.024 276 V CB -0.517 31.171 31.823 -0.224 0.000 0.651 276 V HN 0.292 nan 8.190 nan 0.000 0.449 277 R N 0.082 120.516 120.500 -0.111 0.000 2.096 277 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 277 R C 1.953 178.257 176.300 0.007 0.000 1.127 277 R CA 1.233 57.294 56.100 -0.064 0.000 0.968 277 R CB -0.221 30.045 30.300 -0.056 0.000 0.861 277 R HN 0.466 nan 8.270 nan 0.000 0.440 278 R N -0.229 120.285 120.500 0.024 0.000 2.480 278 R HA 0.055 4.395 4.340 -0.000 0.000 0.277 278 R C 1.000 177.312 176.300 0.020 0.000 1.008 278 R CA -0.268 55.842 56.100 0.016 0.000 1.090 278 R CB 0.021 30.320 30.300 -0.001 0.000 1.234 278 R HN 0.142 nan 8.270 nan 0.000 0.549 279 F N 2.308 122.216 119.950 -0.069 0.000 2.120 279 F HA -0.261 4.265 4.527 -0.000 0.000 0.300 279 F C 1.510 177.273 175.800 -0.062 0.000 1.095 279 F CA 1.824 59.781 58.000 -0.071 0.000 1.249 279 F CB 0.125 39.075 39.000 -0.083 0.000 0.995 279 F HN 0.007 nan 8.300 nan 0.000 0.480 280 D N 0.283 120.607 120.400 -0.125 0.000 2.123 280 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 280 D C 2.163 178.315 176.300 -0.248 0.000 0.992 280 D CA 1.814 55.693 54.000 -0.201 0.000 0.833 280 D CB -0.547 40.228 40.800 -0.041 0.000 0.954 280 D HN 0.703 nan 8.370 nan 0.000 0.455 281 E N 0.429 120.526 120.200 -0.172 0.000 2.208 281 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 281 E C 2.210 178.686 176.600 -0.207 0.000 0.988 281 E CA 0.508 56.821 56.400 -0.145 0.000 0.828 281 E CB -0.364 29.286 29.700 -0.083 0.000 0.763 281 E HN 0.253 nan 8.360 nan 0.000 0.478 282 I N 0.698 121.102 120.570 -0.275 0.000 2.202 282 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 282 I C 2.473 178.372 176.117 -0.363 0.000 1.091 282 I CA 0.612 61.736 61.300 -0.294 0.000 1.368 282 I CB -0.195 37.656 38.000 -0.249 0.000 1.058 282 I HN 0.172 nan 8.210 nan 0.000 0.410 283 L N 0.925 121.789 121.223 -0.599 0.000 2.042 283 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 283 L C 2.504 179.216 176.870 -0.263 0.000 1.076 283 L CA 1.948 56.480 54.840 -0.514 0.000 0.749 283 L CB -0.836 40.779 42.059 -0.740 0.000 0.893 283 L HN 0.234 nan 8.230 nan 0.000 0.432 284 E N -0.060 120.009 120.200 -0.219 0.000 2.118 284 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 284 E C 1.931 178.489 176.600 -0.071 0.000 0.992 284 E CA 1.436 57.768 56.400 -0.114 0.000 0.804 284 E CB -0.064 29.586 29.700 -0.084 0.000 0.741 284 E HN 0.613 nan 8.360 nan 0.000 0.458 285 A N 0.261 123.024 122.820 -0.096 0.000 2.072 285 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 285 A C 1.386 178.937 177.584 -0.055 0.000 1.156 285 A CA 0.313 52.318 52.037 -0.054 0.000 0.701 285 A CB 0.122 18.997 19.000 -0.208 0.000 0.816 285 A HN 0.150 nan 8.150 nan 0.000 0.458 286 S N 0.166 115.811 115.700 -0.092 0.000 2.687 286 S HA 0.299 4.769 4.470 -0.000 0.000 0.283 286 S C -0.005 174.569 174.600 -0.043 0.000 1.170 286 S CA -0.558 57.600 58.200 -0.069 0.000 1.008 286 S CB 1.115 64.256 63.200 -0.098 0.000 1.026 286 S HN 0.380 nan 8.310 nan 0.000 0.541 287 D N 0.555 120.942 120.400 -0.022 0.000 2.323 287 D HA 0.228 4.868 4.640 -0.000 0.000 0.209 287 D C 0.863 177.133 176.300 -0.049 0.000 0.973 287 D CA 0.586 54.580 54.000 -0.011 0.000 0.874 287 D CB 0.330 41.141 40.800 0.017 0.000 0.930 287 D HN 0.646 nan 8.370 nan 0.000 0.521 288 G N -0.231 108.532 108.800 -0.061 0.000 2.430 288 G HA2 0.454 4.414 3.960 -0.000 0.000 0.300 288 G HA3 0.454 4.414 3.960 -0.000 0.000 0.300 288 G C -1.859 172.998 174.900 -0.073 0.000 1.330 288 G CA -0.599 44.446 45.100 -0.092 0.000 0.813 288 G HN -0.073 nan 8.290 nan 0.000 0.487 289 I N 0.412 120.936 120.570 -0.078 0.000 2.769 289 I HA 0.527 4.697 4.170 -0.000 0.000 0.298 289 I C -0.525 175.520 176.117 -0.120 0.000 1.128 289 I CA -0.652 60.621 61.300 -0.046 0.000 1.031 289 I CB 2.079 40.135 38.000 0.093 0.000 1.235 289 I HN 0.654 nan 8.210 nan 0.000 0.423 290 M N 5.223 124.734 119.600 -0.149 0.000 2.311 290 M HA 0.467 4.947 4.480 -0.000 0.000 0.325 290 M C -1.326 174.889 176.300 -0.142 0.000 1.061 290 M CA -0.746 54.428 55.300 -0.210 0.000 0.957 290 M CB 1.798 34.195 32.600 -0.339 0.000 1.646 290 M HN 0.286 nan 8.290 nan 0.000 0.434 291 V N 5.052 124.885 119.914 -0.135 0.000 2.352 291 V HA 0.253 4.373 4.120 -0.000 0.000 0.253 291 V C 0.585 176.608 176.094 -0.118 0.000 1.083 291 V CA -0.399 61.830 62.300 -0.119 0.000 0.993 291 V CB -0.010 31.743 31.823 -0.116 0.000 1.111 291 V HN 0.868 nan 8.190 nan 0.000 0.490 292 A N 5.798 128.545 122.820 -0.123 0.000 2.922 292 A HA 0.324 4.644 4.320 -0.000 0.000 0.298 292 A C 1.421 178.950 177.584 -0.092 0.000 1.588 292 A CA -0.357 51.604 52.037 -0.126 0.000 1.288 292 A CB -0.361 18.529 19.000 -0.182 0.000 1.130 292 A HN 0.845 nan 8.150 nan 0.000 0.557 293 R N 1.384 121.844 120.500 -0.067 0.000 2.189 293 R HA -0.079 4.260 4.340 -0.000 0.000 0.218 293 R C 2.203 178.487 176.300 -0.026 0.000 1.074 293 R CA 1.065 57.139 56.100 -0.044 0.000 0.991 293 R CB 0.026 30.308 30.300 -0.030 0.000 0.883 293 R HN 0.700 nan 8.270 nan 0.000 0.457 294 G N 1.601 110.387 108.800 -0.023 0.000 2.524 294 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 294 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 294 G C 0.973 175.877 174.900 0.008 0.000 1.239 294 G CA 0.925 46.025 45.100 0.000 0.000 0.798 294 G HN 0.189 nan 8.290 nan 0.000 0.557 295 D N 0.103 120.509 120.400 0.011 0.000 2.144 295 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 295 D C 2.474 178.796 176.300 0.038 0.000 0.984 295 D CA 0.717 54.754 54.000 0.062 0.000 0.834 295 D CB -0.127 40.748 40.800 0.125 0.000 0.955 295 D HN 0.162 nan 8.370 nan 0.000 0.465 296 L N 1.106 122.327 121.223 -0.002 0.000 2.042 296 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 296 L C 2.198 179.060 176.870 -0.014 0.000 1.076 296 L CA 1.926 56.762 54.840 -0.008 0.000 0.749 296 L CB -0.850 41.186 42.059 -0.038 0.000 0.893 296 L HN 0.009 nan 8.230 nan 0.000 0.432 297 G N -1.446 107.342 108.800 -0.021 0.000 2.848 297 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.208 297 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.208 297 G C 1.409 176.268 174.900 -0.068 0.000 1.152 297 G CA 0.701 45.783 45.100 -0.030 0.000 0.789 297 G HN 0.499 nan 8.290 nan 0.000 0.531 298 I N -0.546 119.976 120.570 -0.080 0.000 2.927 298 I HA 0.095 4.264 4.170 -0.000 0.000 0.268 298 I C 2.293 178.294 176.117 -0.194 0.000 1.153 298 I CA 0.225 61.415 61.300 -0.184 0.000 1.459 298 I CB 0.086 38.008 38.000 -0.131 0.000 1.149 298 I HN -0.041 nan 8.210 nan 0.000 0.443 299 E N 1.769 121.930 120.200 -0.065 0.000 2.106 299 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 299 E C 0.854 177.448 176.600 -0.010 0.000 0.984 299 E CA 0.924 57.314 56.400 -0.016 0.000 0.806 299 E CB 0.077 29.811 29.700 0.057 0.000 0.750 299 E HN 0.546 nan 8.360 nan 0.000 0.458 300 I N -2.247 118.321 120.570 -0.002 0.000 2.797 300 I HA 0.464 4.634 4.170 -0.000 0.000 0.307 300 I C -2.686 173.418 176.117 -0.021 0.000 1.033 300 I CA -3.051 58.264 61.300 0.024 0.000 1.071 300 I CB 2.014 40.066 38.000 0.087 0.000 1.255 300 I HN -0.359 nan 8.210 nan 0.000 0.445 301 P HA 0.030 nan 4.420 nan 0.000 0.262 301 P C 0.370 177.670 177.300 -0.000 0.000 1.182 301 P CA 0.233 63.327 63.100 -0.010 0.000 0.761 301 P CB 0.999 32.705 31.700 0.010 0.000 0.795 302 A N 4.925 127.743 122.820 -0.003 0.000 1.978 302 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 302 A C 1.783 179.403 177.584 0.060 0.000 1.170 302 A CA 1.521 53.566 52.037 0.014 0.000 0.636 302 A CB -0.858 18.146 19.000 0.008 0.000 0.810 302 A HN 0.663 nan 8.150 nan 0.000 0.448 303 E N 0.444 120.688 120.200 0.074 0.000 2.472 303 E HA -0.149 4.201 4.350 -0.000 0.000 0.200 303 E C 1.104 177.834 176.600 0.216 0.000 1.046 303 E CA 1.175 57.661 56.400 0.143 0.000 0.871 303 E CB -0.235 29.532 29.700 0.111 0.000 0.806 303 E HN 0.661 nan 8.360 nan 0.000 0.533 304 K N 0.491 120.936 120.400 0.076 0.000 2.353 304 K HA 0.143 4.463 4.320 -0.000 0.000 0.195 304 K C 1.901 178.401 176.600 -0.166 0.000 1.031 304 K CA 0.169 56.410 56.287 -0.077 0.000 1.079 304 K CB 0.637 33.091 32.500 -0.076 0.000 0.857 304 K HN -0.081 nan 8.250 nan 0.000 0.535 305 V N 1.948 121.852 119.914 -0.017 0.000 2.332 305 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 305 V C 2.074 178.133 176.094 -0.058 0.000 1.055 305 V CA 1.979 64.258 62.300 -0.035 0.000 1.038 305 V CB -0.683 31.150 31.823 0.017 0.000 0.651 305 V HN 0.366 nan 8.190 nan 0.000 0.450 306 F N 0.212 120.133 119.950 -0.049 0.000 2.202 306 F HA -0.127 4.400 4.527 -0.000 0.000 0.301 306 F C 1.889 177.649 175.800 -0.066 0.000 1.082 306 F CA 1.422 59.391 58.000 -0.052 0.000 1.313 306 F CB -1.144 37.834 39.000 -0.037 0.000 1.024 306 F HN 0.093 nan 8.300 nan 0.000 0.495 307 L N 0.898 121.485 121.223 -1.061 0.000 2.027 307 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 307 L C 3.027 179.661 176.870 -0.392 0.000 1.074 307 L CA 1.285 55.668 54.840 -0.762 0.000 0.745 307 L CB -1.283 40.336 42.059 -0.733 0.000 0.898 307 L HN 0.325 nan 8.230 nan 0.000 0.433 308 A N -0.493 122.128 122.820 -0.331 0.000 1.902 308 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 308 A C 2.290 179.719 177.584 -0.259 0.000 1.181 308 A CA 1.851 53.721 52.037 -0.278 0.000 0.623 308 A CB -0.611 18.252 19.000 -0.228 0.000 0.818 308 A HN 0.513 nan 8.150 nan 0.000 0.443 309 Q N -0.144 119.543 119.800 -0.189 0.000 2.050 309 Q HA -0.220 4.119 4.340 -0.000 0.000 0.202 309 Q C 1.950 177.865 176.000 -0.142 0.000 0.980 309 Q CA 2.018 57.736 55.803 -0.141 0.000 0.840 309 Q CB -0.150 28.552 28.738 -0.060 0.000 0.898 309 Q HN 0.670 nan 8.270 nan 0.000 0.424 310 K N -0.087 120.241 120.400 -0.121 0.000 2.097 310 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 310 K C 2.202 178.714 176.600 -0.147 0.000 1.050 310 K CA 1.219 57.448 56.287 -0.097 0.000 0.938 310 K CB -0.193 32.283 32.500 -0.041 0.000 0.718 310 K HN 0.313 nan 8.250 nan 0.000 0.442 311 M N 1.270 120.749 119.600 -0.203 0.000 2.086 311 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 311 M C 1.915 178.027 176.300 -0.312 0.000 1.067 311 M CA 1.770 56.930 55.300 -0.235 0.000 1.116 311 M CB -0.293 32.148 32.600 -0.265 0.000 1.348 311 M HN 0.124 nan 8.290 nan 0.000 0.407 312 I N 0.052 120.362 120.570 -0.433 0.000 2.252 312 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 312 I C 2.373 178.337 176.117 -0.254 0.000 1.102 312 I CA 1.021 61.954 61.300 -0.613 0.000 1.385 312 I CB -0.328 37.283 38.000 -0.648 0.000 1.064 312 I HN 0.259 nan 8.210 nan 0.000 0.414 313 I N 0.603 121.067 120.570 -0.176 0.000 2.179 313 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 313 I C 2.683 178.756 176.117 -0.074 0.000 1.088 313 I CA 1.633 62.874 61.300 -0.097 0.000 1.357 313 I CB -0.943 37.008 38.000 -0.082 0.000 1.051 313 I HN 0.275 nan 8.210 nan 0.000 0.409 314 G N 0.801 109.548 108.800 -0.089 0.000 2.446 314 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 314 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 314 G C 1.813 176.688 174.900 -0.040 0.000 1.168 314 G CA 0.557 45.615 45.100 -0.070 0.000 0.771 314 G HN 0.303 nan 8.290 nan 0.000 0.551 315 R N -0.672 119.816 120.500 -0.020 0.000 2.092 315 R HA -0.022 4.318 4.340 -0.000 0.000 0.231 315 R C 2.689 179.046 176.300 0.094 0.000 1.119 315 R CA 1.140 57.283 56.100 0.071 0.000 0.970 315 R CB -0.638 29.787 30.300 0.209 0.000 0.864 315 R HN 0.391 nan 8.270 nan 0.000 0.440 316 C N 0.681 120.040 119.300 0.098 0.000 2.446 316 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 316 C C 2.206 177.193 174.990 -0.006 0.000 1.275 316 C CA 0.693 59.747 59.018 0.060 0.000 1.727 316 C CB -1.209 26.562 27.740 0.051 0.000 2.010 316 C HN 0.570 nan 8.230 nan 0.000 0.486 317 N N 0.185 118.870 118.700 -0.025 0.000 2.104 317 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 317 N C 1.998 177.462 175.510 -0.076 0.000 1.024 317 N CA 0.979 53.999 53.050 -0.051 0.000 0.853 317 N CB -0.191 38.265 38.487 -0.053 0.000 1.008 317 N HN 0.536 nan 8.380 nan 0.000 0.424 318 R N 0.639 121.106 120.500 -0.055 0.000 2.091 318 R HA -0.060 4.279 4.340 -0.000 0.000 0.238 318 R C 2.033 178.296 176.300 -0.062 0.000 1.136 318 R CA 1.288 57.351 56.100 -0.061 0.000 0.959 318 R CB -0.203 30.079 30.300 -0.030 0.000 0.856 318 R HN 0.225 nan 8.270 nan 0.000 0.437 319 A N -0.198 122.600 122.820 -0.038 0.000 2.169 319 A HA 0.168 4.487 4.320 -0.000 0.000 0.212 319 A C 1.375 178.940 177.584 -0.032 0.000 1.153 319 A CA 0.819 52.839 52.037 -0.030 0.000 0.756 319 A CB -0.009 18.979 19.000 -0.020 0.000 0.813 319 A HN 0.457 nan 8.150 nan 0.000 0.471 320 G N -0.462 108.308 108.800 -0.050 0.000 2.198 320 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 320 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 320 G C 0.017 174.947 174.900 0.050 0.000 1.025 320 G CA 0.648 45.736 45.100 -0.019 0.000 0.769 320 G HN 0.563 nan 8.290 nan 0.000 0.507 321 K N 0.426 120.823 120.400 -0.005 0.000 2.182 321 K HA 0.451 4.771 4.320 -0.000 0.000 0.262 321 K C -2.507 174.009 176.600 -0.140 0.000 0.957 321 K CA -2.176 54.083 56.287 -0.048 0.000 0.842 321 K CB 1.926 34.400 32.500 -0.045 0.000 1.099 321 K HN -0.054 nan 8.250 nan 0.000 0.438 322 P HA -0.060 nan 4.420 nan 0.000 0.266 322 P C -1.041 176.139 177.300 -0.201 0.000 1.195 322 P CA -0.169 62.705 63.100 -0.377 0.000 0.768 322 P CB 0.622 31.976 31.700 -0.578 0.000 0.838 323 V N 5.308 125.128 119.914 -0.156 0.000 2.638 323 V HA 0.506 4.625 4.120 -0.000 0.000 0.306 323 V C -0.829 175.189 176.094 -0.126 0.000 1.052 323 V CA -0.843 61.388 62.300 -0.116 0.000 0.885 323 V CB 1.425 33.206 31.823 -0.070 0.000 0.999 323 V HN 0.288 nan 8.190 nan 0.000 0.424 324 I N 6.157 126.635 120.570 -0.154 0.000 2.404 324 I HA 0.441 4.610 4.170 -0.000 0.000 0.293 324 I C -0.179 175.856 176.117 -0.136 0.000 0.992 324 I CA -0.381 60.822 61.300 -0.162 0.000 1.149 324 I CB 1.614 39.452 38.000 -0.271 0.000 1.315 324 I HN 0.623 nan 8.210 nan 0.000 0.446 325 C N 6.477 125.719 119.300 -0.097 0.000 2.307 325 C HA 0.851 5.311 4.460 -0.000 0.000 0.340 325 C C 0.416 175.363 174.990 -0.073 0.000 1.275 325 C CA -0.138 58.833 59.018 -0.078 0.000 1.811 325 C CB -0.572 27.138 27.740 -0.050 0.000 2.372 325 C HN 0.861 nan 8.230 nan 0.000 0.531 326 A N 4.622 127.397 122.820 -0.077 0.000 2.413 326 A HA 0.917 5.237 4.320 -0.000 0.000 0.307 326 A C -0.159 177.403 177.584 -0.037 0.000 1.087 326 A CA -0.164 51.836 52.037 -0.062 0.000 0.750 326 A CB 1.037 19.980 19.000 -0.096 0.000 1.296 326 A HN 1.359 nan 8.150 nan 0.000 0.423 327 T N 1.296 115.841 114.554 -0.014 0.000 0.660 327 T HA -0.077 4.273 4.350 -0.000 0.000 0.762 327 T C 0.030 174.734 174.700 0.008 0.000 0.990 327 T CA 0.635 62.735 62.100 0.000 0.000 4.021 327 T CB -1.362 67.502 68.868 -0.007 0.000 2.273 327 T HN 1.536 nan 8.240 nan 0.000 0.396 328 Q N 0.117 119.928 119.800 0.019 0.000 2.481 328 Q HA -0.268 4.072 4.340 -0.000 0.000 0.258 328 Q C 1.573 177.583 176.000 0.018 0.000 0.961 328 Q CA 1.498 57.314 55.803 0.022 0.000 1.121 328 Q CB -1.137 27.613 28.738 0.021 0.000 1.503 328 Q HN 0.845 nan 8.270 nan 0.000 0.544 329 M N -0.560 119.050 119.600 0.016 0.000 2.159 329 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 329 M C 1.163 177.473 176.300 0.016 0.000 1.063 329 M CA 1.550 56.858 55.300 0.013 0.000 1.110 329 M CB 0.073 32.680 32.600 0.012 0.000 1.374 329 M HN 0.274 nan 8.290 nan 0.000 0.411 330 L N -0.600 120.637 121.223 0.023 0.000 3.255 330 L HA 0.165 4.505 4.340 -0.000 0.000 0.293 330 L C 1.169 178.058 176.870 0.032 0.000 1.302 330 L CA -0.371 54.484 54.840 0.025 0.000 0.977 330 L CB 0.268 42.345 42.059 0.029 0.000 1.390 330 L HN 0.063 nan 8.230 nan 0.000 0.588 331 E N 1.374 121.592 120.200 0.030 0.000 2.097 331 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 331 E C 2.180 178.805 176.600 0.041 0.000 1.000 331 E CA 2.154 58.576 56.400 0.036 0.000 0.804 331 E CB 0.171 29.890 29.700 0.032 0.000 0.740 331 E HN 0.507 nan 8.360 nan 0.000 0.454 332 S N -0.509 115.211 115.700 0.033 0.000 2.442 332 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 332 S C 1.858 176.486 174.600 0.047 0.000 1.007 332 S CA 1.185 59.406 58.200 0.034 0.000 0.965 332 S CB -0.373 62.838 63.200 0.018 0.000 0.773 332 S HN 0.313 nan 8.310 nan 0.000 0.504 333 M N 0.577 120.207 119.600 0.050 0.000 2.686 333 M HA 0.175 4.655 4.480 -0.000 0.000 0.246 333 M C 1.498 177.893 176.300 0.158 0.000 1.096 333 M CA 0.592 55.939 55.300 0.078 0.000 1.076 333 M CB -0.613 32.021 32.600 0.058 0.000 1.504 333 M HN 0.355 nan 8.290 nan 0.000 0.524 334 I N 0.297 120.937 120.570 0.117 0.000 2.286 334 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 334 I C 2.141 178.346 176.117 0.146 0.000 1.115 334 I CA 1.183 62.550 61.300 0.111 0.000 1.392 334 I CB -0.157 37.884 38.000 0.068 0.000 1.065 334 I HN 0.224 nan 8.210 nan 0.000 0.418 335 K N 0.223 120.720 120.400 0.162 0.000 2.425 335 K HA 0.283 4.603 4.320 -0.000 0.000 0.201 335 K C 0.090 176.861 176.600 0.286 0.000 1.128 335 K CA 0.311 56.709 56.287 0.185 0.000 1.000 335 K CB 0.711 33.272 32.500 0.101 0.000 0.961 335 K HN 0.214 nan 8.250 nan 0.000 0.555 336 K N 1.150 121.659 120.400 0.182 0.000 2.318 336 K HA 0.255 4.575 4.320 -0.000 0.000 0.249 336 K C -2.181 174.159 176.600 -0.433 0.000 0.942 336 K CA -1.901 54.358 56.287 -0.046 0.000 0.808 336 K CB 2.305 34.779 32.500 -0.043 0.000 1.189 336 K HN -0.296 nan 8.250 nan 0.000 0.428 337 P HA -0.014 nan 4.420 nan 0.000 0.241 337 P C -0.548 176.525 177.300 -0.379 0.000 1.191 337 P CA 0.533 63.039 63.100 -0.990 0.000 0.771 337 P CB 0.553 31.709 31.700 -0.906 0.000 0.929 338 R N 0.386 120.744 120.500 -0.237 0.000 2.744 338 R HA 0.489 4.828 4.340 -0.000 0.000 0.279 338 R C -2.610 173.643 176.300 -0.077 0.000 0.977 338 R CA -2.156 53.871 56.100 -0.122 0.000 0.906 338 R CB 1.961 32.204 30.300 -0.096 0.000 1.197 338 R HN -0.026 nan 8.270 nan 0.000 0.463 339 P HA 0.076 nan 4.420 nan 0.000 0.278 339 P C -0.339 176.948 177.300 -0.021 0.000 1.266 339 P CA -0.391 62.695 63.100 -0.023 0.000 0.807 339 P CB 0.672 32.365 31.700 -0.011 0.000 1.094 340 T N -1.309 113.238 114.554 -0.012 0.000 2.788 340 T HA 0.205 4.555 4.350 -0.000 0.000 0.287 340 T C 1.466 176.159 174.700 -0.012 0.000 1.007 340 T CA -0.604 61.489 62.100 -0.011 0.000 1.005 340 T CB 0.420 69.285 68.868 -0.006 0.000 1.012 340 T HN 0.173 nan 8.240 nan 0.000 0.530 341 R N 0.804 121.296 120.500 -0.013 0.000 2.115 341 R HA 0.038 4.378 4.340 -0.000 0.000 0.230 341 R C 2.652 178.943 176.300 -0.014 0.000 1.111 341 R CA 1.437 57.529 56.100 -0.015 0.000 0.976 341 R CB -1.839 28.451 30.300 -0.017 0.000 0.870 341 R HN 0.852 nan 8.270 nan 0.000 0.445 342 A N 1.311 124.123 122.820 -0.013 0.000 1.933 342 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 342 A C 2.041 179.620 177.584 -0.009 0.000 1.175 342 A CA 1.421 53.450 52.037 -0.013 0.000 0.628 342 A CB -0.279 18.714 19.000 -0.012 0.000 0.814 342 A HN 0.362 nan 8.150 nan 0.000 0.444 343 E N -0.678 119.519 120.200 -0.005 0.000 2.072 343 E HA -0.058 4.291 4.350 -0.000 0.000 0.191 343 E C 2.189 178.789 176.600 -0.002 0.000 0.985 343 E CA 0.698 57.097 56.400 -0.001 0.000 0.801 343 E CB -0.392 29.310 29.700 0.003 0.000 0.750 343 E HN 0.587 nan 8.360 nan 0.000 0.452 344 G N 0.705 109.501 108.800 -0.005 0.000 2.446 344 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.217 344 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.217 344 G C 1.661 176.557 174.900 -0.006 0.000 1.168 344 G CA 1.123 46.219 45.100 -0.006 0.000 0.771 344 G HN 0.301 nan 8.290 nan 0.000 0.551 345 S N 0.333 116.028 115.700 -0.009 0.000 2.368 345 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 345 S C 2.092 176.688 174.600 -0.006 0.000 1.030 345 S CA 2.039 60.233 58.200 -0.010 0.000 0.999 345 S CB -0.489 62.701 63.200 -0.017 0.000 0.844 345 S HN 0.425 nan 8.310 nan 0.000 0.459 346 D N 0.254 120.651 120.400 -0.005 0.000 2.104 346 D HA -0.097 4.543 4.640 -0.000 0.000 0.194 346 D C 1.909 178.211 176.300 0.003 0.000 0.994 346 D CA 1.603 55.602 54.000 -0.001 0.000 0.830 346 D CB -0.340 40.460 40.800 0.001 0.000 0.959 346 D HN 0.309 nan 8.370 nan 0.000 0.452 347 V N 0.769 120.686 119.914 0.004 0.000 2.295 347 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 347 V C 2.600 178.698 176.094 0.007 0.000 1.049 347 V CA 1.843 64.146 62.300 0.006 0.000 1.024 347 V CB -1.056 30.771 31.823 0.008 0.000 0.648 347 V HN 0.346 nan 8.190 nan 0.000 0.447 348 A N 0.330 123.153 122.820 0.005 0.000 1.883 348 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 348 A C 2.099 179.692 177.584 0.016 0.000 1.186 348 A CA 2.086 54.129 52.037 0.009 0.000 0.624 348 A CB -0.682 18.321 19.000 0.005 0.000 0.822 348 A HN 0.596 nan 8.150 nan 0.000 0.444 349 N N 0.136 118.845 118.700 0.015 0.000 2.244 349 N HA -0.065 4.674 4.740 -0.000 0.000 0.183 349 N C 1.887 177.407 175.510 0.018 0.000 1.016 349 N CA 1.243 54.306 53.050 0.022 0.000 0.866 349 N CB -0.369 38.128 38.487 0.018 0.000 0.980 349 N HN 0.484 nan 8.380 nan 0.000 0.430 350 A N 0.780 123.606 122.820 0.010 0.000 1.933 350 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 350 A C 2.494 180.080 177.584 0.002 0.000 1.175 350 A CA 1.119 53.157 52.037 0.002 0.000 0.628 350 A CB -0.613 18.384 19.000 -0.004 0.000 0.814 350 A HN 0.093 nan 8.150 nan 0.000 0.444 351 V N 0.032 119.952 119.914 0.010 0.000 2.358 351 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 351 V C 2.525 178.629 176.094 0.017 0.000 1.047 351 V CA 1.795 64.105 62.300 0.015 0.000 1.035 351 V CB -0.736 31.099 31.823 0.020 0.000 0.658 351 V HN 0.563 nan 8.190 nan 0.000 0.452 352 L N -0.197 121.041 121.223 0.025 0.000 2.131 352 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 352 L C 2.309 179.186 176.870 0.012 0.000 1.092 352 L CA 1.392 56.252 54.840 0.033 0.000 0.759 352 L CB -0.699 41.399 42.059 0.065 0.000 0.903 352 L HN 0.334 nan 8.230 nan 0.000 0.435 353 D N 0.013 120.416 120.400 0.005 0.000 2.178 353 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 353 D C 1.650 177.934 176.300 -0.026 0.000 0.980 353 D CA 1.570 55.562 54.000 -0.014 0.000 0.842 353 D CB 0.076 40.868 40.800 -0.014 0.000 0.948 353 D HN 0.435 nan 8.370 nan 0.000 0.472 354 G N -0.708 108.082 108.800 -0.017 0.000 2.155 354 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.130 354 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.130 354 G C 0.316 175.207 174.900 -0.016 0.000 1.027 354 G CA 0.066 45.157 45.100 -0.015 0.000 0.705 354 G HN 0.524 nan 8.290 nan 0.000 0.496 355 A N 0.460 123.269 122.820 -0.019 0.000 2.546 355 A HA 0.464 4.784 4.320 -0.000 0.000 0.243 355 A C 1.285 178.859 177.584 -0.016 0.000 1.063 355 A CA 0.997 53.017 52.037 -0.029 0.000 0.757 355 A CB 0.232 19.214 19.000 -0.031 0.000 0.991 355 A HN 0.299 nan 8.150 nan 0.000 0.503 356 D N 0.828 121.207 120.400 -0.034 0.000 2.117 356 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 356 D C 0.218 176.517 176.300 -0.002 0.000 0.982 356 D CA 1.344 55.332 54.000 -0.019 0.000 0.828 356 D CB 0.108 40.861 40.800 -0.080 0.000 0.967 356 D HN 0.560 nan 8.370 nan 0.000 0.464 357 C N 0.518 119.801 119.300 -0.028 0.000 2.802 357 C HA 0.627 5.087 4.460 -0.000 0.000 0.307 357 C C -0.032 174.943 174.990 -0.025 0.000 1.222 357 C CA -1.030 57.980 59.018 -0.013 0.000 1.580 357 C CB 1.937 29.665 27.740 -0.020 0.000 2.119 357 C HN 0.176 nan 8.230 nan 0.000 0.479 358 I N 0.123 120.689 120.570 -0.006 0.000 2.846 358 I HA 0.804 4.974 4.170 -0.000 0.000 0.307 358 I C -0.829 175.288 176.117 -0.000 0.000 1.053 358 I CA -0.823 60.472 61.300 -0.009 0.000 1.050 358 I CB 1.769 39.772 38.000 0.005 0.000 1.239 358 I HN 0.680 nan 8.210 nan 0.000 0.439 359 M N 4.373 123.971 119.600 -0.003 0.000 2.591 359 M HA 0.643 5.123 4.480 -0.000 0.000 0.306 359 M C -2.015 174.301 176.300 0.027 0.000 1.190 359 M CA -0.697 54.611 55.300 0.013 0.000 0.889 359 M CB 2.704 35.298 32.600 -0.010 0.000 1.728 359 M HN 0.625 nan 8.290 nan 0.000 0.458 360 L N 1.741 122.991 121.223 0.045 0.000 2.365 360 L HA 0.560 4.900 4.340 -0.000 0.000 0.273 360 L C -0.288 176.620 176.870 0.063 0.000 1.000 360 L CA -0.318 54.552 54.840 0.050 0.000 0.819 360 L CB 2.218 44.309 42.059 0.053 0.000 1.284 360 L HN 0.791 nan 8.230 nan 0.000 0.418 361 S N 0.901 116.637 115.700 0.061 0.000 3.064 361 S HA 0.174 4.644 4.470 -0.000 0.000 0.170 361 S C 1.570 176.211 174.600 0.068 0.000 0.713 361 S CA 0.396 58.639 58.200 0.071 0.000 0.891 361 S CB -0.217 63.023 63.200 0.066 0.000 0.772 361 S HN 0.869 nan 8.310 nan 0.000 0.701 362 G N 1.271 110.107 108.800 0.060 0.000 2.450 362 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.220 362 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.220 362 G C 1.024 175.956 174.900 0.054 0.000 1.130 362 G CA 1.194 46.325 45.100 0.053 0.000 0.760 362 G HN 0.537 nan 8.290 nan 0.000 0.557 363 E N 0.072 120.307 120.200 0.058 0.000 2.130 363 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 363 E C 2.760 179.400 176.600 0.066 0.000 0.998 363 E CA 1.935 58.375 56.400 0.066 0.000 0.806 363 E CB -0.230 29.508 29.700 0.065 0.000 0.738 363 E HN 0.627 nan 8.360 nan 0.000 0.459 364 T N -2.913 111.678 114.554 0.061 0.000 3.000 364 T HA 0.372 4.722 4.350 -0.000 0.000 0.248 364 T C 1.971 176.704 174.700 0.055 0.000 1.034 364 T CA 0.238 62.372 62.100 0.058 0.000 1.060 364 T CB 0.117 69.020 68.868 0.059 0.000 0.983 364 T HN 0.143 nan 8.240 nan 0.000 0.482 365 A N 3.187 126.044 122.820 0.061 0.000 1.898 365 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 365 A C 2.214 179.827 177.584 0.047 0.000 1.181 365 A CA 1.651 53.727 52.037 0.065 0.000 0.620 365 A CB -0.327 18.720 19.000 0.078 0.000 0.819 365 A HN 0.731 nan 8.150 nan 0.000 0.442 366 K N -2.151 118.269 120.400 0.034 0.000 2.562 366 K HA 0.280 4.600 4.320 -0.000 0.000 0.218 366 K C 0.896 177.498 176.600 0.003 0.000 1.374 366 K CA 0.350 56.646 56.287 0.015 0.000 0.996 366 K CB -0.123 32.381 32.500 0.007 0.000 1.127 366 K HN 0.247 nan 8.250 nan 0.000 0.603 367 G N 1.047 109.856 108.800 0.015 0.000 2.684 367 G HA2 0.024 3.984 3.960 -0.000 0.000 0.255 367 G HA3 0.024 3.984 3.960 -0.000 0.000 0.255 367 G C -0.252 174.620 174.900 -0.047 0.000 1.219 367 G CA -0.223 44.884 45.100 0.011 0.000 0.901 367 G HN 0.128 nan 8.290 nan 0.000 0.548 368 D N -1.160 119.173 120.400 -0.110 0.000 2.349 368 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 368 D C -0.127 175.785 176.300 -0.647 0.000 1.016 368 D CA 0.895 54.665 54.000 -0.383 0.000 0.870 368 D CB 0.298 40.786 40.800 -0.520 0.000 0.917 368 D HN 0.371 nan 8.370 nan 0.000 0.524 369 Y N -0.334 119.976 120.300 0.017 0.000 2.555 369 Y HA 0.211 4.761 4.550 -0.000 0.000 0.317 369 Y C -1.681 174.231 175.900 0.020 0.000 0.928 369 Y CA -1.676 56.435 58.100 0.018 0.000 1.116 369 Y CB 1.163 39.633 38.460 0.017 0.000 1.169 369 Y HN -0.094 nan 8.280 nan 0.000 0.627 370 P HA -0.171 nan 4.420 nan 0.000 0.216 370 P C 1.439 178.788 177.300 0.082 0.000 1.153 370 P CA 1.494 64.641 63.100 0.078 0.000 0.848 370 P CB 0.628 32.354 31.700 0.044 0.000 0.787 371 L N -0.607 120.665 121.223 0.081 0.000 2.093 371 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 371 L C 2.606 179.522 176.870 0.077 0.000 1.085 371 L CA 1.563 56.444 54.840 0.068 0.000 0.755 371 L CB -1.095 41.001 42.059 0.061 0.000 0.904 371 L HN -0.066 nan 8.230 nan 0.000 0.435 372 E N 0.502 120.768 120.200 0.111 0.000 2.110 372 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 372 E C 2.282 178.923 176.600 0.068 0.000 0.988 372 E CA 1.350 57.801 56.400 0.086 0.000 0.804 372 E CB -0.276 29.477 29.700 0.088 0.000 0.745 372 E HN 0.444 nan 8.360 nan 0.000 0.458 373 A N 0.372 123.243 122.820 0.085 0.000 1.902 373 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 373 A C 2.456 180.077 177.584 0.062 0.000 1.181 373 A CA 1.381 53.459 52.037 0.068 0.000 0.623 373 A CB -0.711 18.336 19.000 0.077 0.000 0.818 373 A HN 0.149 nan 8.150 nan 0.000 0.443 374 V N 0.050 120.000 119.914 0.060 0.000 2.295 374 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 374 V C 2.625 178.762 176.094 0.072 0.000 1.049 374 V CA 2.315 64.648 62.300 0.055 0.000 1.024 374 V CB -0.865 30.980 31.823 0.035 0.000 0.648 374 V HN 0.528 nan 8.190 nan 0.000 0.447 375 R N -0.849 119.689 120.500 0.064 0.000 2.096 375 R HA -0.184 4.155 4.340 -0.000 0.000 0.235 375 R C 2.229 178.598 176.300 0.114 0.000 1.127 375 R CA 1.844 57.994 56.100 0.083 0.000 0.968 375 R CB -0.413 29.921 30.300 0.057 0.000 0.861 375 R HN 0.400 nan 8.270 nan 0.000 0.440 376 M N 0.924 120.569 119.600 0.076 0.000 2.156 376 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 376 M C 1.877 178.213 176.300 0.059 0.000 1.067 376 M CA 1.703 57.037 55.300 0.057 0.000 1.131 376 M CB -0.068 32.551 32.600 0.032 0.000 1.368 376 M HN 0.026 nan 8.290 nan 0.000 0.416 377 Q N -1.079 118.762 119.800 0.069 0.000 2.096 377 Q HA -0.259 4.080 4.340 -0.000 0.000 0.204 377 Q C 2.227 178.276 176.000 0.082 0.000 0.982 377 Q CA 1.861 57.702 55.803 0.064 0.000 0.850 377 Q CB -0.673 28.102 28.738 0.062 0.000 0.901 377 Q HN 0.706 nan 8.270 nan 0.000 0.422 378 H N 0.906 119.991 119.070 0.024 0.000 2.290 378 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 378 H C 2.089 177.434 175.328 0.029 0.000 1.087 378 H CA 1.469 57.535 56.048 0.030 0.000 1.291 378 H CB -0.060 29.721 29.762 0.032 0.000 1.369 378 H HN 0.190 nan 8.280 nan 0.000 0.492 379 L N 0.268 121.484 121.223 -0.012 0.000 2.017 379 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 379 L C 2.936 179.760 176.870 -0.075 0.000 1.073 379 L CA 1.254 56.055 54.840 -0.065 0.000 0.745 379 L CB -0.379 41.694 42.059 0.024 0.000 0.894 379 L HN 0.269 nan 8.230 nan 0.000 0.432 380 I N -0.216 120.335 120.570 -0.033 0.000 2.202 380 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 380 I C 2.846 178.942 176.117 -0.034 0.000 1.091 380 I CA 1.094 62.379 61.300 -0.025 0.000 1.368 380 I CB -0.556 37.440 38.000 -0.006 0.000 1.058 380 I HN 0.188 nan 8.210 nan 0.000 0.410 381 A N 0.845 123.641 122.820 -0.040 0.000 1.892 381 A HA -0.285 4.034 4.320 -0.000 0.000 0.218 381 A C 2.429 179.982 177.584 -0.050 0.000 1.188 381 A CA 2.100 54.118 52.037 -0.032 0.000 0.631 381 A CB -0.721 18.269 19.000 -0.017 0.000 0.822 381 A HN 0.323 nan 8.150 nan 0.000 0.447 382 R N -0.606 119.822 120.500 -0.121 0.000 2.081 382 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 382 R C 2.134 178.405 176.300 -0.048 0.000 1.131 382 R CA 1.554 57.589 56.100 -0.109 0.000 0.960 382 R CB -0.150 30.031 30.300 -0.198 0.000 0.856 382 R HN 0.568 nan 8.270 nan 0.000 0.436 383 E N -0.083 120.090 120.200 -0.046 0.000 2.072 383 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 383 E C 1.896 178.498 176.600 0.002 0.000 0.985 383 E CA 1.335 57.722 56.400 -0.021 0.000 0.801 383 E CB -0.213 29.472 29.700 -0.026 0.000 0.750 383 E HN 0.432 nan 8.360 nan 0.000 0.452 384 A N 1.367 124.190 122.820 0.005 0.000 1.930 384 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 384 A C 2.010 179.625 177.584 0.051 0.000 1.175 384 A CA 1.367 53.419 52.037 0.026 0.000 0.627 384 A CB -0.400 18.612 19.000 0.020 0.000 0.815 384 A HN 0.186 nan 8.150 nan 0.000 0.443 385 E N -0.088 120.144 120.200 0.053 0.000 2.085 385 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 385 E C 2.258 178.962 176.600 0.174 0.000 0.994 385 E CA 1.114 57.574 56.400 0.101 0.000 0.801 385 E CB -0.295 29.457 29.700 0.086 0.000 0.743 385 E HN 0.624 nan 8.360 nan 0.000 0.453 386 A N 1.119 124.017 122.820 0.130 0.000 1.972 386 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 386 A C 2.262 179.958 177.584 0.187 0.000 1.169 386 A CA 1.505 53.637 52.037 0.159 0.000 0.635 386 A CB -0.409 18.634 19.000 0.071 0.000 0.810 386 A HN 0.277 nan 8.150 nan 0.000 0.446 387 A N -1.073 121.823 122.820 0.126 0.000 2.238 387 A HA 0.389 4.709 4.320 -0.000 0.000 0.208 387 A C 1.069 178.804 177.584 0.252 0.000 1.177 387 A CA -0.095 52.019 52.037 0.129 0.000 0.804 387 A CB -0.515 18.516 19.000 0.051 0.000 0.823 387 A HN 0.553 nan 8.150 nan 0.000 0.482 388 M N -0.913 118.765 119.600 0.130 0.000 2.250 388 M HA 0.092 4.572 4.480 -0.000 0.000 0.325 388 M C -0.003 176.289 176.300 -0.012 0.000 1.084 388 M CA 0.570 55.847 55.300 -0.038 0.000 1.161 388 M CB 0.184 32.545 32.600 -0.398 0.000 1.481 388 M HN 0.403 nan 8.290 nan 0.000 0.449 389 F N 2.129 121.890 119.950 -0.315 0.000 2.467 389 F HA 0.166 4.693 4.527 -0.000 0.000 0.349 389 F C 0.614 176.268 175.800 -0.244 0.000 1.182 389 F CA -0.767 56.958 58.000 -0.458 0.000 1.279 389 F CB 0.015 38.673 39.000 -0.570 0.000 1.626 389 F HN 0.687 nan 8.300 nan 0.000 0.596 390 H N 1.405 120.554 119.070 0.131 0.000 2.352 390 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 390 H C 2.364 177.593 175.328 -0.166 0.000 1.097 390 H CA 1.964 58.003 56.048 -0.015 0.000 1.311 390 H CB -0.039 29.656 29.762 -0.111 0.000 1.377 390 H HN 0.496 nan 8.280 nan 0.000 0.504 391 R N 0.904 121.326 120.500 -0.130 0.000 2.083 391 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 391 R C 1.685 177.857 176.300 -0.214 0.000 1.137 391 R CA 1.443 57.413 56.100 -0.217 0.000 0.951 391 R CB 0.152 30.358 30.300 -0.156 0.000 0.851 391 R HN 0.145 nan 8.270 nan 0.000 0.434 392 K N 0.653 120.717 120.400 -0.560 0.000 2.057 392 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 392 K C 2.069 178.535 176.600 -0.223 0.000 1.050 392 K CA 0.766 56.747 56.287 -0.510 0.000 0.935 392 K CB -0.631 31.336 32.500 -0.889 0.000 0.715 392 K HN 0.178 nan 8.250 nan 0.000 0.439 393 L N 0.779 121.909 121.223 -0.155 0.000 2.012 393 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 393 L C 2.237 179.161 176.870 0.090 0.000 1.073 393 L CA 1.562 56.383 54.840 -0.032 0.000 0.748 393 L CB -0.813 41.244 42.059 -0.002 0.000 0.891 393 L HN 0.096 nan 8.230 nan 0.000 0.431 394 F N 0.631 120.624 119.950 0.071 0.000 2.095 394 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 394 F C 2.342 178.214 175.800 0.120 0.000 1.104 394 F CA 2.092 60.210 58.000 0.196 0.000 1.232 394 F CB -0.298 38.916 39.000 0.356 0.000 0.987 394 F HN 0.248 nan 8.300 nan 0.000 0.475 395 E N -0.030 120.243 120.200 0.122 0.000 2.085 395 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 395 E C 2.098 178.645 176.600 -0.087 0.000 0.994 395 E CA 1.836 58.232 56.400 -0.006 0.000 0.801 395 E CB -0.292 29.410 29.700 0.004 0.000 0.743 395 E HN 0.611 nan 8.360 nan 0.000 0.453 396 E N 0.415 120.568 120.200 -0.078 0.000 2.107 396 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 396 E C 2.222 178.777 176.600 -0.076 0.000 0.982 396 E CA 0.495 56.847 56.400 -0.080 0.000 0.809 396 E CB 0.019 29.664 29.700 -0.091 0.000 0.756 396 E HN 0.232 nan 8.360 nan 0.000 0.459 397 L N 0.733 121.911 121.223 -0.075 0.000 2.056 397 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 397 L C 2.625 179.489 176.870 -0.010 0.000 1.078 397 L CA 0.973 55.780 54.840 -0.056 0.000 0.749 397 L CB -0.467 41.564 42.059 -0.047 0.000 0.901 397 L HN 0.130 nan 8.230 nan 0.000 0.433 398 A N -0.028 122.716 122.820 -0.127 0.000 1.883 398 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 398 A C 2.418 179.954 177.584 -0.080 0.000 1.186 398 A CA 1.736 53.672 52.037 -0.167 0.000 0.624 398 A CB -0.554 18.212 19.000 -0.390 0.000 0.822 398 A HN 0.300 nan 8.150 nan 0.000 0.444 399 R N -0.918 119.536 120.500 -0.077 0.000 2.081 399 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 399 R C 2.503 178.783 176.300 -0.034 0.000 1.131 399 R CA 1.198 57.268 56.100 -0.050 0.000 0.960 399 R CB -0.441 29.830 30.300 -0.049 0.000 0.856 399 R HN 0.532 nan 8.270 nan 0.000 0.436 400 A N 0.084 122.884 122.820 -0.033 0.000 1.933 400 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 400 A C 1.867 179.444 177.584 -0.012 0.000 1.175 400 A CA 1.648 53.669 52.037 -0.026 0.000 0.628 400 A CB -0.076 18.902 19.000 -0.035 0.000 0.814 400 A HN 0.220 nan 8.150 nan 0.000 0.444 401 S N -0.183 115.522 115.700 0.008 0.000 2.572 401 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 401 S C 1.723 176.335 174.600 0.020 0.000 0.963 401 S CA 0.489 58.707 58.200 0.029 0.000 0.939 401 S CB 0.003 63.257 63.200 0.090 0.000 0.804 401 S HN 0.836 nan 8.310 nan 0.000 0.480 402 S N 2.495 118.194 115.700 -0.002 0.000 2.440 402 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 402 S C 1.968 176.561 174.600 -0.011 0.000 1.010 402 S CA 1.006 59.198 58.200 -0.014 0.000 0.972 402 S CB -0.400 62.787 63.200 -0.022 0.000 0.774 402 S HN 0.669 nan 8.310 nan 0.000 0.501 403 Q N 1.717 121.512 119.800 -0.008 0.000 2.291 403 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 403 Q C 0.893 176.888 176.000 -0.008 0.000 0.970 403 Q CA 1.097 56.895 55.803 -0.009 0.000 0.876 403 Q CB -0.709 28.024 28.738 -0.008 0.000 0.935 403 Q HN 0.522 nan 8.270 nan 0.000 0.455 404 S N 1.086 116.785 115.700 -0.003 0.000 2.537 404 S HA 0.268 4.738 4.470 -0.000 0.000 0.275 404 S C 0.382 174.975 174.600 -0.011 0.000 1.272 404 S CA 0.006 58.204 58.200 -0.004 0.000 1.050 404 S CB 1.018 64.224 63.200 0.010 0.000 0.961 404 S HN 0.439 nan 8.310 nan 0.000 0.496 405 T N 0.887 115.428 114.554 -0.021 0.000 3.228 405 T HA 0.232 4.582 4.350 -0.000 0.000 0.278 405 T C -0.019 174.655 174.700 -0.044 0.000 1.014 405 T CA -0.525 61.558 62.100 -0.029 0.000 0.904 405 T CB -0.480 68.373 68.868 -0.026 0.000 1.110 405 T HN 0.645 nan 8.240 nan 0.000 0.541 406 D N 1.248 121.618 120.400 -0.049 0.000 2.533 406 D HA 0.043 4.683 4.640 -0.000 0.000 0.236 406 D C 1.350 177.576 176.300 -0.124 0.000 1.137 406 D CA -0.030 53.918 54.000 -0.088 0.000 0.867 406 D CB 0.509 41.267 40.800 -0.069 0.000 1.170 406 D HN 0.167 nan 8.370 nan 0.000 0.474 407 L N 3.255 124.349 121.223 -0.214 0.000 2.046 407 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 407 L C 2.253 178.967 176.870 -0.260 0.000 1.077 407 L CA 0.826 55.521 54.840 -0.241 0.000 0.747 407 L CB -0.490 41.373 42.059 -0.327 0.000 0.896 407 L HN 0.628 nan 8.230 nan 0.000 0.432 408 M N 0.304 119.629 119.600 -0.459 0.000 2.117 408 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 408 M C 2.031 178.329 176.300 -0.003 0.000 1.065 408 M CA 1.732 56.926 55.300 -0.176 0.000 1.114 408 M CB -0.378 32.119 32.600 -0.171 0.000 1.361 408 M HN 0.109 nan 8.290 nan 0.000 0.408 409 E N -0.363 119.830 120.200 -0.012 0.000 2.085 409 E HA -0.208 4.141 4.350 -0.000 0.000 0.194 409 E C 1.970 178.546 176.600 -0.041 0.000 0.994 409 E CA 1.314 57.747 56.400 0.055 0.000 0.801 409 E CB -0.328 29.421 29.700 0.082 0.000 0.743 409 E HN 0.665 nan 8.360 nan 0.000 0.453 410 A N 1.235 124.030 122.820 -0.042 0.000 1.877 410 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 410 A C 2.153 179.734 177.584 -0.005 0.000 1.186 410 A CA 1.409 53.422 52.037 -0.041 0.000 0.620 410 A CB -0.346 18.643 19.000 -0.018 0.000 0.822 410 A HN 0.125 nan 8.150 nan 0.000 0.443 411 M N -0.299 119.334 119.600 0.056 0.000 2.108 411 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 411 M C 2.506 178.840 176.300 0.057 0.000 1.066 411 M CA 1.676 57.029 55.300 0.088 0.000 1.107 411 M CB -1.636 31.079 32.600 0.191 0.000 1.356 411 M HN 0.499 nan 8.290 nan 0.000 0.406 412 A N 0.006 122.863 122.820 0.062 0.000 1.877 412 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 412 A C 2.266 179.862 177.584 0.020 0.000 1.186 412 A CA 1.671 53.758 52.037 0.083 0.000 0.620 412 A CB -0.568 18.546 19.000 0.189 0.000 0.822 412 A HN 0.482 nan 8.150 nan 0.000 0.443 413 M N -0.653 118.875 119.600 -0.120 0.000 2.132 413 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 413 M C 2.329 178.648 176.300 0.032 0.000 1.065 413 M CA 1.397 56.636 55.300 -0.101 0.000 1.122 413 M CB -0.599 31.809 32.600 -0.320 0.000 1.365 413 M HN 0.512 nan 8.290 nan 0.000 0.411 414 G N -0.495 108.299 108.800 -0.009 0.000 2.418 414 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 414 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 414 G C 1.602 176.470 174.900 -0.053 0.000 1.158 414 G CA 1.178 46.268 45.100 -0.016 0.000 0.771 414 G HN 0.428 nan 8.290 nan 0.000 0.545 415 S N -0.138 115.537 115.700 -0.043 0.000 2.368 415 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 415 S C 2.497 177.007 174.600 -0.148 0.000 1.029 415 S CA 1.027 59.188 58.200 -0.064 0.000 0.988 415 S CB -0.181 63.008 63.200 -0.018 0.000 0.838 415 S HN 0.176 nan 8.310 nan 0.000 0.462 416 V N 1.739 121.544 119.914 -0.181 0.000 2.307 416 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 416 V C 2.556 178.191 176.094 -0.765 0.000 1.045 416 V CA 1.978 64.025 62.300 -0.421 0.000 1.024 416 V CB -0.650 31.029 31.823 -0.238 0.000 0.651 416 V HN 0.398 nan 8.190 nan 0.000 0.449 417 E N 0.951 120.800 120.200 -0.585 0.000 2.058 417 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 417 E C 2.128 178.582 176.600 -0.243 0.000 0.997 417 E CA 1.896 58.017 56.400 -0.465 0.000 0.801 417 E CB -0.547 29.013 29.700 -0.232 0.000 0.746 417 E HN 0.506 nan 8.360 nan 0.000 0.450 418 A N 0.239 122.952 122.820 -0.178 0.000 1.933 418 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 418 A C 2.417 179.935 177.584 -0.110 0.000 1.175 418 A CA 2.446 54.420 52.037 -0.105 0.000 0.628 418 A CB -1.115 17.839 19.000 -0.076 0.000 0.814 418 A HN 0.454 nan 8.150 nan 0.000 0.444 419 S N -1.306 114.282 115.700 -0.186 0.000 2.382 419 S HA -0.200 4.270 4.470 -0.000 0.000 0.228 419 S C 1.907 176.462 174.600 -0.075 0.000 1.027 419 S CA 1.538 59.644 58.200 -0.158 0.000 0.991 419 S CB -0.755 62.316 63.200 -0.215 0.000 0.823 419 S HN 0.513 nan 8.310 nan 0.000 0.469 420 Y N 2.194 122.418 120.300 -0.126 0.000 2.200 420 Y HA 0.131 4.681 4.550 -0.000 0.000 0.290 420 Y C 2.653 178.507 175.900 -0.078 0.000 1.137 420 Y CA 1.007 59.035 58.100 -0.119 0.000 1.163 420 Y CB -1.012 37.346 38.460 -0.170 0.000 0.988 420 Y HN 0.292 nan 8.280 nan 0.000 0.518 421 K N 0.846 121.299 120.400 0.089 0.000 2.026 421 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 421 K C 1.885 178.503 176.600 0.030 0.000 1.048 421 K CA 1.854 58.168 56.287 0.046 0.000 0.929 421 K CB -0.748 31.762 32.500 0.017 0.000 0.713 421 K HN 0.449 nan 8.250 nan 0.000 0.439 422 C N -0.146 119.162 119.300 0.014 0.000 2.754 422 C HA 0.479 4.939 4.460 -0.000 0.000 0.276 422 C C 0.589 175.587 174.990 0.012 0.000 1.264 422 C CA -0.831 58.191 59.018 0.007 0.000 1.700 422 C CB -1.461 26.273 27.740 -0.010 0.000 1.885 422 C HN 0.470 nan 8.230 nan 0.000 0.607 423 L N 0.537 121.777 121.223 0.027 0.000 3.762 423 L HA -0.235 4.105 4.340 -0.000 0.000 0.460 423 L C 1.098 177.978 176.870 0.017 0.000 1.255 423 L CA 0.329 55.189 54.840 0.033 0.000 0.783 423 L CB -2.119 39.964 42.059 0.039 0.000 1.600 423 L HN 0.717 nan 8.230 nan 0.000 0.862 424 A N 0.125 122.944 122.820 -0.003 0.000 2.520 424 A HA 0.466 4.786 4.320 -0.000 0.000 0.235 424 A C 1.386 178.971 177.584 0.002 0.000 1.065 424 A CA 0.687 52.712 52.037 -0.021 0.000 0.764 424 A CB 0.652 19.625 19.000 -0.046 0.000 1.002 424 A HN 0.708 nan 8.150 nan 0.000 0.502 425 A N 1.294 124.121 122.820 0.012 0.000 2.169 425 A HA 0.531 4.851 4.320 -0.000 0.000 0.212 425 A C 1.004 178.679 177.584 0.151 0.000 1.153 425 A CA 1.451 53.551 52.037 0.105 0.000 0.756 425 A CB -0.416 18.707 19.000 0.205 0.000 0.813 425 A HN 2.413 nan 8.150 nan 0.000 0.471 426 A N -1.634 121.230 122.820 0.074 0.000 2.567 426 A HA 0.597 4.916 4.320 -0.000 0.000 0.291 426 A C -1.864 175.737 177.584 0.029 0.000 1.048 426 A CA -0.596 51.502 52.037 0.102 0.000 0.661 426 A CB 0.275 19.471 19.000 0.327 0.000 1.288 426 A HN 0.291 nan 8.150 nan 0.000 0.424 427 L N 1.176 122.426 121.223 0.045 0.000 2.333 427 L HA 0.615 4.955 4.340 -0.000 0.000 0.280 427 L C -0.534 176.377 176.870 0.068 0.000 1.004 427 L CA -0.016 54.842 54.840 0.030 0.000 0.820 427 L CB 1.573 43.643 42.059 0.018 0.000 1.247 427 L HN 0.591 nan 8.230 nan 0.000 0.416 428 I N 3.740 124.342 120.570 0.053 0.000 2.336 428 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 428 I C -0.695 175.454 176.117 0.053 0.000 0.991 428 I CA -0.714 60.631 61.300 0.074 0.000 1.227 428 I CB 1.616 39.652 38.000 0.060 0.000 1.366 428 I HN 0.213 nan 8.210 nan 0.000 0.466 429 V N 7.339 127.290 119.914 0.061 0.000 2.483 429 V HA 0.327 4.446 4.120 -0.000 0.000 0.297 429 V C -0.409 175.707 176.094 0.036 0.000 1.027 429 V CA -0.650 61.676 62.300 0.044 0.000 0.855 429 V CB 1.862 33.709 31.823 0.040 0.000 0.995 429 V HN 0.358 nan 8.190 nan 0.000 0.424 430 L N 4.246 125.487 121.223 0.029 0.000 2.265 430 L HA 0.722 5.061 4.340 -0.000 0.000 0.288 430 L C 0.326 177.218 176.870 0.038 0.000 1.058 430 L CA 0.780 55.634 54.840 0.023 0.000 0.809 430 L CB 1.278 43.337 42.059 -0.000 0.000 1.179 430 L HN 0.827 nan 8.230 nan 0.000 0.429 431 T N 1.279 115.848 114.554 0.026 0.000 3.041 431 T HA 0.372 4.722 4.350 -0.000 0.000 0.321 431 T C 0.444 175.154 174.700 0.017 0.000 1.184 431 T CA -0.364 61.743 62.100 0.013 0.000 1.050 431 T CB 1.273 70.113 68.868 -0.047 0.000 1.159 431 T HN 0.718 nan 8.240 nan 0.000 0.469 432 E N 2.753 122.971 120.200 0.030 0.000 2.162 432 E HA 0.090 4.439 4.350 -0.000 0.000 0.193 432 E C 1.826 178.438 176.600 0.021 0.000 0.953 432 E CA 1.662 58.085 56.400 0.039 0.000 0.849 432 E CB -0.293 29.444 29.700 0.061 0.000 0.810 432 E HN 0.488 nan 8.360 nan 0.000 0.470 433 S N -1.147 114.553 115.700 0.001 0.000 2.501 433 S HA 0.343 4.813 4.470 -0.000 0.000 0.220 433 S C 1.821 176.375 174.600 -0.077 0.000 0.997 433 S CA 0.439 58.636 58.200 -0.005 0.000 0.919 433 S CB 0.034 63.239 63.200 0.008 0.000 0.778 433 S HN 0.784 nan 8.310 nan 0.000 0.523 434 G N 1.800 110.485 108.800 -0.192 0.000 2.234 434 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.235 434 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.235 434 G C 1.063 175.390 174.900 -0.956 0.000 0.997 434 G CA 0.262 45.048 45.100 -0.523 0.000 0.623 434 G HN 0.473 nan 8.290 nan 0.000 0.514 435 R N 0.881 121.088 120.500 -0.488 0.000 2.083 435 R HA -0.039 4.301 4.340 -0.000 0.000 0.237 435 R C 2.799 178.975 176.300 -0.206 0.000 1.137 435 R CA 1.935 57.855 56.100 -0.301 0.000 0.951 435 R CB -0.466 29.803 30.300 -0.053 0.000 0.851 435 R HN 0.437 nan 8.270 nan 0.000 0.434 436 S N 0.613 116.244 115.700 -0.115 0.000 2.368 436 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 436 S C 2.067 176.643 174.600 -0.040 0.000 1.030 436 S CA 1.281 59.477 58.200 -0.006 0.000 0.999 436 S CB -0.176 63.062 63.200 0.064 0.000 0.844 436 S HN 0.496 nan 8.310 nan 0.000 0.459 437 A N 1.302 124.039 122.820 -0.138 0.000 1.930 437 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 437 A C 1.678 179.221 177.584 -0.067 0.000 1.175 437 A CA 1.406 53.389 52.037 -0.089 0.000 0.627 437 A CB -0.911 18.029 19.000 -0.100 0.000 0.815 437 A HN 0.688 nan 8.150 nan 0.000 0.443 438 H N -0.977 117.951 119.070 -0.236 0.000 2.352 438 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 438 H C 2.209 177.479 175.328 -0.098 0.000 1.097 438 H CA 1.117 56.924 56.048 -0.403 0.000 1.311 438 H CB 0.106 29.516 29.762 -0.587 0.000 1.377 438 H HN 0.394 nan 8.280 nan 0.000 0.504 439 Q N 0.540 120.397 119.800 0.096 0.000 2.119 439 Q HA -0.079 4.260 4.340 -0.000 0.000 0.201 439 Q C 2.683 178.815 176.000 0.220 0.000 0.972 439 Q CA 0.670 56.563 55.803 0.151 0.000 0.847 439 Q CB -0.280 28.544 28.738 0.143 0.000 0.903 439 Q HN 0.360 nan 8.270 nan 0.000 0.433 440 V N 1.263 121.276 119.914 0.166 0.000 2.295 440 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 440 V C 2.400 178.607 176.094 0.189 0.000 1.049 440 V CA 1.777 64.186 62.300 0.180 0.000 1.024 440 V CB -1.154 30.735 31.823 0.111 0.000 0.648 440 V HN 0.311 nan 8.190 nan 0.000 0.447 441 A N 0.607 123.520 122.820 0.154 0.000 1.908 441 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 441 A C 2.420 180.092 177.584 0.148 0.000 1.181 441 A CA 2.155 54.294 52.037 0.171 0.000 0.627 441 A CB -0.661 18.468 19.000 0.217 0.000 0.818 441 A HN 0.562 nan 8.150 nan 0.000 0.445 442 R N -1.836 118.718 120.500 0.090 0.000 2.159 442 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 442 R C 0.902 177.050 176.300 -0.254 0.000 1.131 442 R CA 1.759 57.803 56.100 -0.092 0.000 0.982 442 R CB -0.375 29.813 30.300 -0.187 0.000 0.868 442 R HN 0.543 nan 8.270 nan 0.000 0.453 443 Y N 0.895 121.284 120.300 0.149 0.000 2.461 443 Y HA 0.274 4.824 4.550 -0.000 0.000 0.277 443 Y C 0.065 176.151 175.900 0.311 0.000 1.182 443 Y CA -0.226 58.003 58.100 0.214 0.000 1.276 443 Y CB 0.414 39.028 38.460 0.257 0.000 1.087 443 Y HN -0.049 nan 8.280 nan 0.000 0.519 444 R N -0.387 120.296 120.500 0.305 0.000 3.152 444 R HA -0.146 4.194 4.340 -0.000 0.000 0.252 444 R C -2.953 173.592 176.300 0.408 0.000 0.930 444 R CA 0.183 56.476 56.100 0.321 0.000 0.642 444 R CB -2.145 28.333 30.300 0.297 0.000 1.205 444 R HN 0.283 nan 8.270 nan 0.000 0.452 445 P HA -0.008 nan 4.420 nan 0.000 0.272 445 P C 0.706 178.111 177.300 0.174 0.000 1.230 445 P CA -0.173 62.978 63.100 0.085 0.000 0.788 445 P CB 0.398 32.072 31.700 -0.045 0.000 0.949 446 R N 1.081 121.601 120.500 0.033 0.000 2.161 446 R HA 0.226 4.565 4.340 -0.000 0.000 0.213 446 R C 0.941 177.222 176.300 -0.033 0.000 1.055 446 R CA 0.230 56.249 56.100 -0.136 0.000 0.996 446 R CB -0.687 29.300 30.300 -0.521 0.000 0.901 446 R HN 0.409 nan 8.270 nan 0.000 0.456 447 A N 3.275 126.076 122.820 -0.030 0.000 2.371 447 A HA 0.358 4.678 4.320 -0.000 0.000 0.257 447 A C -2.140 175.420 177.584 -0.040 0.000 1.089 447 A CA -1.791 50.224 52.037 -0.037 0.000 0.794 447 A CB -0.001 18.986 19.000 -0.020 0.000 1.029 447 A HN 0.208 nan 8.150 nan 0.000 0.488 448 P HA 0.205 nan 4.420 nan 0.000 0.269 448 P C -0.868 176.434 177.300 0.003 0.000 1.209 448 P CA 0.304 63.328 63.100 -0.126 0.000 0.776 448 P CB 0.481 31.908 31.700 -0.454 0.000 0.876 449 I N 3.213 123.828 120.570 0.075 0.000 2.330 449 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 449 I C 0.563 176.793 176.117 0.189 0.000 1.025 449 I CA -0.588 60.782 61.300 0.118 0.000 1.197 449 I CB 0.517 38.585 38.000 0.114 0.000 1.358 449 I HN 0.110 nan 8.210 nan 0.000 0.467 450 I N 6.348 127.043 120.570 0.208 0.000 2.291 450 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 450 I C 0.571 176.802 176.117 0.189 0.000 1.064 450 I CA -0.118 61.353 61.300 0.284 0.000 1.269 450 I CB 0.818 39.009 38.000 0.319 0.000 1.418 450 I HN 0.598 nan 8.210 nan 0.000 0.485 451 A N 7.253 130.170 122.820 0.162 0.000 2.253 451 A HA 0.601 4.921 4.320 -0.000 0.000 0.316 451 A C -0.285 177.340 177.584 0.068 0.000 1.327 451 A CA -0.444 51.644 52.037 0.084 0.000 0.917 451 A CB 0.493 19.520 19.000 0.044 0.000 1.162 451 A HN 0.465 nan 8.150 nan 0.000 0.535 452 V N 2.702 122.650 119.914 0.057 0.000 2.432 452 V HA 0.641 4.761 4.120 -0.000 0.000 0.275 452 V C 0.571 176.678 176.094 0.022 0.000 1.043 452 V CA -0.002 62.323 62.300 0.042 0.000 0.925 452 V CB 1.206 33.053 31.823 0.039 0.000 0.985 452 V HN 0.937 nan 8.190 nan 0.000 0.466 453 T N 4.360 118.923 114.554 0.015 0.000 2.916 453 T HA 0.414 4.763 4.350 -0.000 0.000 0.305 453 T C 0.500 175.216 174.700 0.027 0.000 1.119 453 T CA -0.641 61.471 62.100 0.021 0.000 1.008 453 T CB 1.648 70.526 68.868 0.016 0.000 1.129 453 T HN 0.651 nan 8.240 nan 0.000 0.480 454 R N 1.762 122.296 120.500 0.056 0.000 2.317 454 R HA 0.197 4.537 4.340 -0.000 0.000 0.208 454 R C 0.416 176.824 176.300 0.179 0.000 0.914 454 R CA -0.181 55.976 56.100 0.096 0.000 1.060 454 R CB 0.198 30.549 30.300 0.086 0.000 1.015 454 R HN 0.364 nan 8.270 nan 0.000 0.498 455 N N 0.770 119.555 118.700 0.141 0.000 2.420 455 N HA -0.011 4.729 4.740 -0.000 0.000 0.249 455 N C 0.242 175.878 175.510 0.210 0.000 1.033 455 N CA 0.083 53.235 53.050 0.170 0.000 0.944 455 N CB 0.782 39.326 38.487 0.096 0.000 1.113 455 N HN 0.070 nan 8.380 nan 0.000 0.502 456 H N 1.876 120.966 119.070 0.034 0.000 2.389 456 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 456 H C 1.608 176.966 175.328 0.050 0.000 1.081 456 H CA 1.438 57.515 56.048 0.048 0.000 1.345 456 H CB 0.243 30.034 29.762 0.048 0.000 1.393 456 H HN 0.669 nan 8.280 nan 0.000 0.520 457 Q N 0.024 119.927 119.800 0.172 0.000 2.083 457 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 457 Q C 1.727 177.785 176.000 0.097 0.000 0.969 457 Q CA 1.724 57.594 55.803 0.112 0.000 0.838 457 Q CB 0.110 28.897 28.738 0.082 0.000 0.900 457 Q HN 0.386 nan 8.270 nan 0.000 0.436 458 T N 0.824 115.433 114.554 0.092 0.000 2.699 458 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 458 T C 1.763 176.495 174.700 0.053 0.000 1.036 458 T CA 1.422 63.570 62.100 0.081 0.000 1.147 458 T CB -0.443 68.458 68.868 0.055 0.000 0.862 458 T HN 0.494 nan 8.240 nan 0.000 0.446 459 A N 1.770 124.605 122.820 0.025 0.000 1.877 459 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 459 A C 2.390 179.908 177.584 -0.109 0.000 1.186 459 A CA 1.572 53.579 52.037 -0.050 0.000 0.620 459 A CB -0.512 18.458 19.000 -0.050 0.000 0.822 459 A HN 0.449 nan 8.150 nan 0.000 0.443 460 R N -0.641 119.856 120.500 -0.005 0.000 2.081 460 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 460 R C 2.357 178.700 176.300 0.071 0.000 1.131 460 R CA 1.630 57.756 56.100 0.043 0.000 0.960 460 R CB -0.352 30.012 30.300 0.106 0.000 0.856 460 R HN 0.677 nan 8.270 nan 0.000 0.436 461 Q N 0.048 119.903 119.800 0.092 0.000 2.369 461 Q HA -0.002 4.338 4.340 -0.000 0.000 0.206 461 Q C 1.985 178.107 176.000 0.203 0.000 0.963 461 Q CA 0.952 56.844 55.803 0.149 0.000 0.894 461 Q CB 0.063 28.898 28.738 0.162 0.000 0.965 461 Q HN 0.347 nan 8.270 nan 0.000 0.475 462 A N 0.287 123.183 122.820 0.126 0.000 2.070 462 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 462 A C 1.227 178.930 177.584 0.199 0.000 1.159 462 A CA 1.188 53.335 52.037 0.184 0.000 0.656 462 A CB -0.647 18.367 19.000 0.023 0.000 0.800 462 A HN 0.437 nan 8.150 nan 0.000 0.453 463 H N -0.701 118.471 119.070 0.169 0.000 2.518 463 H HA 0.025 4.581 4.556 -0.000 0.000 0.289 463 H C 1.546 176.938 175.328 0.106 0.000 1.051 463 H CA 0.877 56.996 56.048 0.119 0.000 1.280 463 H CB -0.146 29.657 29.762 0.069 0.000 1.380 463 H HN 0.412 nan 8.280 nan 0.000 0.566 464 L N -0.031 121.310 121.223 0.196 0.000 2.456 464 L HA -0.099 4.241 4.340 -0.000 0.000 0.224 464 L C -0.226 176.504 176.870 -0.233 0.000 1.148 464 L CA 0.523 55.332 54.840 -0.053 0.000 0.825 464 L CB 0.033 41.967 42.059 -0.208 0.000 0.937 464 L HN 0.275 nan 8.230 nan 0.000 0.450 465 Y N -0.918 119.412 120.300 0.050 0.000 2.352 465 Y HA 0.411 4.961 4.550 -0.000 0.000 0.339 465 Y C 0.522 176.472 175.900 0.084 0.000 0.992 465 Y CA -1.327 56.800 58.100 0.044 0.000 1.100 465 Y CB 0.944 39.434 38.460 0.052 0.000 1.192 465 Y HN -0.141 nan 8.280 nan 0.000 0.458 466 R N 1.574 122.189 120.500 0.192 0.000 2.502 466 R HA 0.298 4.638 4.340 -0.000 0.000 0.292 466 R C 1.116 177.529 176.300 0.187 0.000 0.998 466 R CA 1.324 57.520 56.100 0.159 0.000 1.056 466 R CB -0.439 29.933 30.300 0.121 0.000 0.939 466 R HN 0.978 nan 8.270 nan 0.000 0.411 467 G N 3.869 112.773 108.800 0.174 0.000 2.179 467 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 467 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 467 G C 0.201 175.213 174.900 0.187 0.000 0.977 467 G CA 0.237 45.431 45.100 0.158 0.000 0.641 467 G HN 0.575 nan 8.290 nan 0.000 0.533 468 I N 0.785 121.487 120.570 0.221 0.000 2.337 468 I HA 0.406 4.575 4.170 -0.000 0.000 0.291 468 I C -0.026 176.245 176.117 0.255 0.000 1.046 468 I CA -0.537 60.892 61.300 0.215 0.000 1.324 468 I CB 0.700 38.812 38.000 0.185 0.000 1.409 468 I HN 0.094 nan 8.210 nan 0.000 0.494 469 F N 10.122 130.137 119.950 0.108 0.000 2.291 469 F HA 0.438 4.965 4.527 -0.000 0.000 0.368 469 F C -2.111 173.742 175.800 0.089 0.000 1.085 469 F CA -2.499 55.582 58.000 0.135 0.000 1.165 469 F CB 0.700 39.819 39.000 0.197 0.000 1.429 469 F HN 0.261 nan 8.300 nan 0.000 0.503 470 P HA 0.142 nan 4.420 nan 0.000 0.275 470 P C -1.110 176.105 177.300 -0.142 0.000 1.227 470 P CA -0.034 62.981 63.100 -0.140 0.000 0.781 470 P CB 2.045 33.588 31.700 -0.261 0.000 0.906 471 V N 4.069 123.973 119.914 -0.016 0.000 2.483 471 V HA 0.159 4.279 4.120 -0.000 0.000 0.297 471 V C 0.221 176.319 176.094 0.006 0.000 1.027 471 V CA -0.854 61.460 62.300 0.024 0.000 0.855 471 V CB 2.233 34.121 31.823 0.108 0.000 0.995 471 V HN 0.253 nan 8.190 nan 0.000 0.424 472 V N 4.065 123.979 119.914 -0.001 0.000 2.455 472 V HA 0.175 4.295 4.120 -0.000 0.000 0.273 472 V C 0.436 176.497 176.094 -0.055 0.000 1.045 472 V CA -0.269 61.981 62.300 -0.082 0.000 0.976 472 V CB 1.224 32.907 31.823 -0.234 0.000 0.993 472 V HN 1.027 nan 8.190 nan 0.000 0.475 473 C N 6.723 126.001 119.300 -0.036 0.000 2.325 473 C HA 0.395 4.855 4.460 -0.000 0.000 0.347 473 C C 1.294 176.283 174.990 -0.000 0.000 1.263 473 C CA -0.542 58.469 59.018 -0.011 0.000 1.806 473 C CB -0.405 27.337 27.740 0.003 0.000 2.405 473 C HN 1.014 nan 8.230 nan 0.000 0.537 474 K N 2.584 122.982 120.400 -0.004 0.000 2.358 474 K HA 0.126 4.446 4.320 -0.000 0.000 0.200 474 K C -0.125 176.486 176.600 0.019 0.000 1.030 474 K CA -0.051 56.248 56.287 0.021 0.000 1.097 474 K CB 0.273 32.771 32.500 -0.004 0.000 0.862 474 K HN 0.750 nan 8.250 nan 0.000 0.534 475 D N 2.790 123.195 120.400 0.008 0.000 2.399 475 D HA 0.041 4.681 4.640 -0.000 0.000 0.241 475 D C -2.426 173.880 176.300 0.010 0.000 1.133 475 D CA -1.033 52.970 54.000 0.004 0.000 0.890 475 D CB 0.388 41.185 40.800 -0.005 0.000 1.201 475 D HN -0.106 nan 8.370 nan 0.000 0.432 476 P HA -0.026 nan 4.420 nan 0.000 0.268 476 P C -0.601 176.706 177.300 0.010 0.000 1.208 476 P CA -0.267 62.840 63.100 0.011 0.000 0.777 476 P CB 0.433 32.136 31.700 0.006 0.000 0.875 477 V N 4.064 123.991 119.914 0.021 0.000 2.529 477 V HA -0.035 4.085 4.120 -0.000 0.000 0.292 477 V C 0.843 176.950 176.094 0.021 0.000 1.028 477 V CA 0.198 62.515 62.300 0.029 0.000 1.074 477 V CB -0.157 31.698 31.823 0.053 0.000 0.958 477 V HN 0.465 nan 8.190 nan 0.000 0.481 478 Q N 3.581 123.387 119.800 0.009 0.000 2.340 478 Q HA 0.168 4.508 4.340 -0.000 0.000 0.249 478 Q C 0.959 176.976 176.000 0.028 0.000 0.957 478 Q CA -0.330 55.474 55.803 0.003 0.000 0.882 478 Q CB 0.991 29.712 28.738 -0.027 0.000 1.235 478 Q HN 0.706 nan 8.270 nan 0.000 0.439 479 E N 1.245 121.458 120.200 0.022 0.000 2.051 479 E HA -0.083 4.266 4.350 -0.000 0.000 0.192 479 E C 0.083 176.713 176.600 0.050 0.000 0.991 479 E CA 1.325 57.744 56.400 0.032 0.000 0.799 479 E CB -0.015 29.695 29.700 0.017 0.000 0.748 479 E HN 0.636 nan 8.360 nan 0.000 0.449 480 A N 0.605 123.446 122.820 0.035 0.000 2.289 480 A HA 0.092 4.412 4.320 -0.000 0.000 0.298 480 A C 0.476 178.106 177.584 0.076 0.000 1.208 480 A CA -0.508 51.557 52.037 0.048 0.000 0.845 480 A CB -0.132 18.872 19.000 0.007 0.000 1.125 480 A HN 0.509 nan 8.150 nan 0.000 0.517 481 W N 2.990 124.245 121.300 -0.076 0.000 2.321 481 W HA -0.280 4.380 4.660 -0.000 0.000 0.306 481 W C 1.673 178.130 176.519 -0.102 0.000 1.217 481 W CA 2.142 59.434 57.345 -0.089 0.000 1.257 481 W CB -0.107 29.286 29.460 -0.113 0.000 1.145 481 W HN 0.780 nan 8.180 nan 0.000 0.509 482 A N 0.676 123.410 122.820 -0.144 0.000 1.933 482 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 482 A C 1.786 179.218 177.584 -0.253 0.000 1.175 482 A CA 1.968 53.847 52.037 -0.262 0.000 0.628 482 A CB -0.917 17.991 19.000 -0.153 0.000 0.814 482 A HN 0.500 nan 8.150 nan 0.000 0.444 483 E N -0.776 119.324 120.200 -0.167 0.000 2.107 483 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 483 E C 1.645 178.140 176.600 -0.176 0.000 0.982 483 E CA 1.102 57.420 56.400 -0.137 0.000 0.809 483 E CB -0.141 29.512 29.700 -0.079 0.000 0.756 483 E HN 0.712 nan 8.360 nan 0.000 0.459 484 D N -0.105 120.162 120.400 -0.223 0.000 2.144 484 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 484 D C 1.858 177.938 176.300 -0.367 0.000 0.978 484 D CA 0.668 54.521 54.000 -0.246 0.000 0.833 484 D CB 0.243 40.922 40.800 -0.202 0.000 0.961 484 D HN -0.077 nan 8.370 nan 0.000 0.470 485 V N 0.677 120.237 119.914 -0.590 0.000 2.295 485 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 485 V C 1.819 177.736 176.094 -0.296 0.000 1.049 485 V CA 1.963 63.931 62.300 -0.553 0.000 1.024 485 V CB -0.514 30.876 31.823 -0.722 0.000 0.648 485 V HN 0.220 nan 8.190 nan 0.000 0.447 486 D N -0.191 120.063 120.400 -0.244 0.000 2.117 486 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 486 D C 2.033 178.267 176.300 -0.110 0.000 0.987 486 D CA 1.198 55.109 54.000 -0.149 0.000 0.829 486 D CB -0.338 40.388 40.800 -0.123 0.000 0.961 486 D HN 0.393 nan 8.370 nan 0.000 0.460 487 L N 0.428 121.581 121.223 -0.116 0.000 2.012 487 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 487 L C 2.315 179.148 176.870 -0.062 0.000 1.073 487 L CA 1.487 56.281 54.840 -0.078 0.000 0.748 487 L CB 0.038 42.051 42.059 -0.076 0.000 0.891 487 L HN -0.069 nan 8.230 nan 0.000 0.431 488 R N -1.105 119.343 120.500 -0.087 0.000 2.090 488 R HA -0.091 4.249 4.340 -0.000 0.000 0.228 488 R C 2.126 178.408 176.300 -0.030 0.000 1.110 488 R CA 1.326 57.392 56.100 -0.057 0.000 0.973 488 R CB -0.355 29.898 30.300 -0.079 0.000 0.869 488 R HN 0.285 nan 8.270 nan 0.000 0.440 489 V N 1.925 121.808 119.914 -0.051 0.000 2.343 489 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 489 V C 1.622 177.719 176.094 0.006 0.000 1.051 489 V CA 1.783 64.070 62.300 -0.023 0.000 1.036 489 V CB -0.544 31.249 31.823 -0.049 0.000 0.654 489 V HN 0.328 nan 8.190 nan 0.000 0.451 490 N N 0.127 118.822 118.700 -0.008 0.000 2.166 490 N HA -0.142 4.597 4.740 -0.000 0.000 0.186 490 N C 1.614 177.145 175.510 0.036 0.000 1.019 490 N CA 1.223 54.280 53.050 0.011 0.000 0.856 490 N CB -0.568 37.915 38.487 -0.007 0.000 0.993 490 N HN 0.408 nan 8.380 nan 0.000 0.426 491 L N 0.957 122.197 121.223 0.028 0.000 2.017 491 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 491 L C 2.021 178.939 176.870 0.080 0.000 1.073 491 L CA 1.705 56.571 54.840 0.043 0.000 0.745 491 L CB -1.048 41.029 42.059 0.030 0.000 0.894 491 L HN 0.143 nan 8.230 nan 0.000 0.432 492 A N -0.719 122.161 122.820 0.100 0.000 1.908 492 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 492 A C 2.225 179.958 177.584 0.248 0.000 1.181 492 A CA 2.178 54.315 52.037 0.167 0.000 0.627 492 A CB -0.560 18.536 19.000 0.160 0.000 0.818 492 A HN 0.504 nan 8.150 nan 0.000 0.445 493 M N -0.029 119.705 119.600 0.224 0.000 2.080 493 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 493 M C 1.786 178.240 176.300 0.257 0.000 1.068 493 M CA 1.754 57.250 55.300 0.327 0.000 1.109 493 M CB -1.924 30.772 32.600 0.160 0.000 1.342 493 M HN 0.576 nan 8.290 nan 0.000 0.405 494 N N -0.296 118.475 118.700 0.120 0.000 2.120 494 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 494 N C 1.775 177.271 175.510 -0.023 0.000 1.024 494 N CA 0.999 54.076 53.050 0.046 0.000 0.852 494 N CB -0.006 38.501 38.487 0.032 0.000 1.003 494 N HN 0.065 nan 8.380 nan 0.000 0.424 495 V N 0.821 120.732 119.914 -0.006 0.000 2.295 495 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 495 V C 2.430 178.327 176.094 -0.328 0.000 1.049 495 V CA 2.151 64.407 62.300 -0.073 0.000 1.024 495 V CB -1.172 30.693 31.823 0.071 0.000 0.648 495 V HN 0.446 nan 8.190 nan 0.000 0.447 496 G N -0.510 108.062 108.800 -0.380 0.000 2.418 496 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 496 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 496 G C 1.674 175.905 174.900 -1.115 0.000 1.158 496 G CA 0.847 45.301 45.100 -1.077 0.000 0.771 496 G HN 0.472 nan 8.290 nan 0.000 0.545 497 K N 0.462 120.501 120.400 -0.601 0.000 2.057 497 K HA 0.074 4.394 4.320 -0.000 0.000 0.206 497 K C 2.933 179.366 176.600 -0.279 0.000 1.050 497 K CA 0.957 57.062 56.287 -0.304 0.000 0.935 497 K CB -0.186 32.289 32.500 -0.042 0.000 0.715 497 K HN 0.270 nan 8.250 nan 0.000 0.439 498 A N 1.357 124.017 122.820 -0.267 0.000 1.969 498 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 498 A C 1.863 179.269 177.584 -0.297 0.000 1.169 498 A CA 1.055 52.964 52.037 -0.212 0.000 0.635 498 A CB -0.127 18.785 19.000 -0.146 0.000 0.810 498 A HN 0.107 nan 8.150 nan 0.000 0.445 499 R N -1.124 119.058 120.500 -0.531 0.000 2.310 499 R HA 0.099 4.439 4.340 -0.000 0.000 0.202 499 R C 1.210 177.144 176.300 -0.610 0.000 0.933 499 R CA 0.723 56.392 56.100 -0.718 0.000 1.054 499 R CB -0.447 29.004 30.300 -1.415 0.000 0.985 499 R HN 0.773 nan 8.270 nan 0.000 0.489 500 G N 1.122 109.655 108.800 -0.444 0.000 2.160 500 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 500 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 500 G C 0.478 175.349 174.900 -0.047 0.000 1.008 500 G CA 0.104 45.087 45.100 -0.195 0.000 0.724 500 G HN 0.241 nan 8.290 nan 0.000 0.514 501 F N -0.313 119.416 119.950 -0.369 0.000 2.293 501 F HA 0.356 4.883 4.527 -0.000 0.000 0.297 501 F C 1.418 177.125 175.800 -0.154 0.000 1.089 501 F CA 0.601 58.403 58.000 -0.329 0.000 1.377 501 F CB -0.604 38.100 39.000 -0.493 0.000 1.051 501 F HN 0.426 nan 8.300 nan 0.000 0.511 502 F N -1.271 118.761 119.950 0.136 0.000 2.779 502 F HA 0.594 5.120 4.527 -0.000 0.000 0.316 502 F C -0.870 174.950 175.800 0.033 0.000 1.164 502 F CA -2.356 55.688 58.000 0.073 0.000 0.924 502 F CB 1.099 40.140 39.000 0.067 0.000 1.348 502 F HN -0.203 nan 8.300 nan 0.000 0.467 503 K N 0.103 120.707 120.400 0.340 0.000 2.466 503 K HA 0.478 4.798 4.320 -0.000 0.000 0.260 503 K C -1.340 175.361 176.600 0.168 0.000 1.011 503 K CA -1.294 55.117 56.287 0.205 0.000 0.871 503 K CB 2.326 34.890 32.500 0.107 0.000 1.404 503 K HN 0.790 nan 8.250 nan 0.000 0.450 504 K N 0.041 120.506 120.400 0.108 0.000 2.530 504 K HA -0.017 4.303 4.320 -0.000 0.000 0.280 504 K C 0.611 177.234 176.600 0.039 0.000 1.004 504 K CA 1.936 58.259 56.287 0.061 0.000 1.071 504 K CB -0.358 32.167 32.500 0.042 0.000 0.876 504 K HN 0.881 nan 8.250 nan 0.000 0.487 505 G N 3.060 111.867 108.800 0.013 0.000 2.234 505 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.235 505 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.235 505 G C -0.179 174.718 174.900 -0.004 0.000 0.997 505 G CA 0.187 45.288 45.100 0.002 0.000 0.623 505 G HN 0.720 nan 8.290 nan 0.000 0.514 506 D N 0.230 120.631 120.400 0.002 0.000 2.371 506 D HA 0.493 5.133 4.640 -0.000 0.000 0.242 506 D C 0.976 177.227 176.300 -0.082 0.000 1.218 506 D CA 0.781 54.772 54.000 -0.014 0.000 0.945 506 D CB 1.538 42.360 40.800 0.036 0.000 1.137 506 D HN 0.974 nan 8.370 nan 0.000 0.464 507 V N -1.919 117.942 119.914 -0.087 0.000 2.715 507 V HA 0.792 4.911 4.120 -0.000 0.000 0.310 507 V C -0.062 175.935 176.094 -0.161 0.000 1.054 507 V CA -0.931 61.299 62.300 -0.117 0.000 0.928 507 V CB 1.502 33.284 31.823 -0.068 0.000 1.007 507 V HN 0.377 nan 8.190 nan 0.000 0.437 508 V N 1.310 121.110 119.914 -0.190 0.000 3.040 508 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 508 V C -0.587 175.442 176.094 -0.109 0.000 1.115 508 V CA -0.869 61.321 62.300 -0.184 0.000 0.998 508 V CB 2.066 33.702 31.823 -0.312 0.000 1.042 508 V HN 0.817 nan 8.190 nan 0.000 0.433 509 I N 2.736 123.260 120.570 -0.075 0.000 2.353 509 I HA 0.550 4.720 4.170 -0.000 0.000 0.293 509 I C -0.177 175.921 176.117 -0.032 0.000 0.992 509 I CA -0.505 60.765 61.300 -0.050 0.000 1.268 509 I CB 1.405 39.376 38.000 -0.048 0.000 1.387 509 I HN 0.501 nan 8.210 nan 0.000 0.478 510 V N 7.516 127.417 119.914 -0.021 0.000 2.444 510 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 510 V C -0.081 176.021 176.094 0.014 0.000 1.022 510 V CA -0.589 61.707 62.300 -0.006 0.000 0.850 510 V CB 2.219 34.031 31.823 -0.018 0.000 0.992 510 V HN 0.449 nan 8.190 nan 0.000 0.426 511 L N 5.578 126.816 121.223 0.025 0.000 2.305 511 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 511 L C 0.277 177.174 176.870 0.046 0.000 1.013 511 L CA 0.049 54.914 54.840 0.042 0.000 0.819 511 L CB 1.988 44.078 42.059 0.051 0.000 1.227 511 L HN 0.907 nan 8.230 nan 0.000 0.417 512 T N -0.449 114.143 114.554 0.063 0.000 2.812 512 T HA 0.670 5.020 4.350 -0.000 0.000 0.294 512 T C -0.138 174.642 174.700 0.133 0.000 1.159 512 T CA -0.753 61.395 62.100 0.080 0.000 1.008 512 T CB 1.725 70.620 68.868 0.044 0.000 1.289 512 T HN 0.516 nan 8.240 nan 0.000 0.514 513 G N -0.394 108.548 108.800 0.238 0.000 2.356 513 G HA2 0.385 4.344 3.960 -0.000 0.000 0.298 513 G HA3 0.385 4.344 3.960 -0.000 0.000 0.298 513 G C 0.397 175.566 174.900 0.449 0.000 1.145 513 G CA -0.873 44.388 45.100 0.269 0.000 0.850 513 G HN 0.814 nan 8.290 nan 0.000 0.487 514 W N 2.967 124.319 121.300 0.085 0.000 2.358 514 W HA 0.019 4.679 4.660 -0.000 0.000 0.303 514 W C 0.540 177.143 176.519 0.141 0.000 1.208 514 W CA 0.649 58.061 57.345 0.111 0.000 1.274 514 W CB 0.330 29.783 29.460 -0.013 0.000 1.138 514 W HN 0.398 nan 8.180 nan 0.000 0.515 515 R N -1.435 119.027 120.500 -0.064 0.000 2.867 515 R HA 0.193 4.532 4.340 -0.000 0.000 0.268 515 R C -1.668 173.904 176.300 -1.213 0.000 1.014 515 R CA -1.680 54.046 56.100 -0.622 0.000 0.946 515 R CB 0.948 31.075 30.300 -0.289 0.000 1.208 515 R HN -0.341 nan 8.270 nan 0.000 0.477 516 P HA -0.119 nan 4.420 nan 0.000 0.218 516 P C 0.997 177.894 177.300 -0.672 0.000 1.148 516 P CA 1.241 63.415 63.100 -1.544 0.000 0.822 516 P CB 0.154 31.320 31.700 -0.890 0.000 0.784 517 G N -1.157 107.378 108.800 -0.441 0.000 2.813 517 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 517 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 517 G C 0.378 175.186 174.900 -0.154 0.000 1.150 517 G CA -0.031 44.934 45.100 -0.225 0.000 0.785 517 G HN 0.194 nan 8.290 nan 0.000 0.535 518 S N 0.322 115.908 115.700 -0.190 0.000 2.546 518 S HA 0.305 4.775 4.470 -0.000 0.000 0.290 518 S C 1.552 176.114 174.600 -0.064 0.000 1.290 518 S CA 0.159 58.280 58.200 -0.131 0.000 1.069 518 S CB 1.472 64.582 63.200 -0.150 0.000 0.846 518 S HN 0.314 nan 8.310 nan 0.000 0.495 519 G N 1.729 110.552 108.800 0.039 0.000 2.985 519 G HA2 0.385 4.345 3.960 -0.000 0.000 0.209 519 G HA3 0.385 4.345 3.960 -0.000 0.000 0.209 519 G C 0.007 175.096 174.900 0.315 0.000 1.165 519 G CA -0.048 45.157 45.100 0.174 0.000 0.776 519 G HN 0.655 nan 8.290 nan 0.000 0.541 520 F N -2.356 117.615 119.950 0.035 0.000 2.817 520 F HA 0.499 5.026 4.527 -0.000 0.000 0.317 520 F C -0.249 175.592 175.800 0.069 0.000 1.168 520 F CA -1.331 56.692 58.000 0.040 0.000 0.911 520 F CB 0.516 39.533 39.000 0.028 0.000 1.337 520 F HN -0.076 nan 8.300 nan 0.000 0.464 521 T N 0.460 115.068 114.554 0.090 0.000 2.978 521 T HA 0.190 4.540 4.350 -0.000 0.000 0.278 521 T C 0.209 174.846 174.700 -0.104 0.000 0.945 521 T CA -0.216 61.883 62.100 -0.002 0.000 1.070 521 T CB -0.792 68.127 68.868 0.085 0.000 0.948 521 T HN 0.734 nan 8.240 nan 0.000 0.617 522 N N 1.466 119.925 118.700 -0.402 0.000 2.322 522 N HA 0.060 4.800 4.740 -0.000 0.000 0.194 522 N C -0.452 175.002 175.510 -0.093 0.000 1.126 522 N CA -0.513 52.310 53.050 -0.379 0.000 0.845 522 N CB 0.304 38.377 38.487 -0.691 0.000 0.976 522 N HN 0.499 nan 8.380 nan 0.000 0.475 523 T N 1.255 115.810 114.554 0.003 0.000 2.881 523 T HA 0.317 4.667 4.350 -0.000 0.000 0.291 523 T C -0.873 173.867 174.700 0.067 0.000 0.990 523 T CA -0.662 61.482 62.100 0.074 0.000 0.976 523 T CB 1.712 70.728 68.868 0.246 0.000 0.970 523 T HN 0.048 nan 8.240 nan 0.000 0.438 524 M N 3.648 123.275 119.600 0.044 0.000 2.436 524 M HA 0.600 5.080 4.480 -0.000 0.000 0.331 524 M C -1.213 175.105 176.300 0.029 0.000 1.135 524 M CA -0.497 54.822 55.300 0.032 0.000 0.987 524 M CB 1.583 34.193 32.600 0.016 0.000 1.687 524 M HN 0.624 nan 8.290 nan 0.000 0.445 525 R N 1.821 122.333 120.500 0.019 0.000 2.725 525 R HA 0.643 4.983 4.340 -0.000 0.000 0.277 525 R C -1.445 174.848 176.300 -0.012 0.000 0.987 525 R CA -0.875 55.231 56.100 0.011 0.000 0.901 525 R CB 2.780 33.091 30.300 0.019 0.000 1.207 525 R HN 0.558 nan 8.270 nan 0.000 0.463 526 V N 3.493 123.396 119.914 -0.018 0.000 2.407 526 V HA 0.497 4.616 4.120 -0.000 0.000 0.278 526 V C -0.911 175.161 176.094 -0.037 0.000 1.037 526 V CA -0.249 62.031 62.300 -0.033 0.000 0.900 526 V CB 1.463 33.268 31.823 -0.031 0.000 0.983 526 V HN 0.451 nan 8.190 nan 0.000 0.459 527 V N 9.008 128.887 119.914 -0.059 0.000 2.638 527 V HA 0.506 4.625 4.120 -0.000 0.000 0.306 527 V C -2.413 173.627 176.094 -0.091 0.000 1.052 527 V CA -1.619 60.642 62.300 -0.065 0.000 0.885 527 V CB 2.316 34.098 31.823 -0.069 0.000 0.999 527 V HN 0.808 nan 8.190 nan 0.000 0.424 528 P HA 0.168 nan 4.420 nan 0.000 0.271 528 P C -0.364 176.874 177.300 -0.104 0.000 1.216 528 P CA 0.011 63.063 63.100 -0.080 0.000 0.776 528 P CB 1.153 32.824 31.700 -0.047 0.000 0.881 529 V N 5.833 125.666 119.914 -0.135 0.000 2.521 529 V HA 0.093 4.212 4.120 -0.000 0.000 0.286 529 V C -1.184 174.888 176.094 -0.037 0.000 1.034 529 V CA -0.927 61.294 62.300 -0.132 0.000 1.045 529 V CB 0.025 31.748 31.823 -0.166 0.000 0.974 529 V HN 0.643 nan 8.190 nan 0.000 0.480 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.101 63.100 0.002 0.000 0.800 530 P CB 0.000 31.701 31.700 0.001 0.000 0.726