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 3fhq_1_A DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPGRV ADRVNANADK DATA SEQUENCE DAHLVSLSAL NRHTSGVPSQ GAPVFYENTF SYWHYTDLMV YWAGSAGEGI DATA SEQUENCE IVPPSADVID ASHRNGVPIL GNVFFPPTVY GGQLEWLEQM LEQEEDGSFP DATA SEQUENCE LADKLLEVAD YYGFDGWFIN QETEGADEGT AEAMQAFLVY LQEQKPEGMH DATA SEQUENCE IMWYDSMIDT GAIAWQNHLT DRNKMYLQNG STRVADSMFL NFWWRDQRQS DATA SEQUENCE NELAQALGRS PYDLYAGVDV EARGTSTPVQ WEGLFPEGEK AHTSLGLYRP DATA SEQUENCE DWAFQSSETM EAFYEKELQF WVGSTGNPAE TDGQSNWPGM AHWFPAKSTA DATA SEQUENCE TSVPFVTHFN TGSGAQFSAE GKTVSEQEWN NRSLQDVLPT WRWIQHGGDL DATA SEQUENCE EATFSWEEAF EGGSSLQWHG SLAEGEHAQI ELYQTELPIS EGTSLTWTFK DATA SEQUENCE SEHDNDLNVG FRLDXXXDFR YVEGEQRESI NGWTQWTLPL DAFAGQTITG DATA SEQUENCE LAFAAEGNET GLAEFYTGQL AVGXXXXKPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EKQSNVHHYR VYKETKHGKE LIGTSAGDRI YIEGLVEXXX XXXVRLHIEA DATA SEQUENCE LSETFVPSDA RMID VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.784 174.700 0.140 0.000 1.109 2 T CA 0.000 62.158 62.100 0.097 0.000 1.349 2 T CB 0.000 68.925 68.868 0.095 0.000 0.612 3 Y N 2.830 123.153 120.300 0.038 0.000 2.393 3 Y HA 0.626 5.176 4.550 -0.001 0.000 0.338 3 Y C 0.271 176.184 175.900 0.022 0.000 1.029 3 Y CA -0.263 57.862 58.100 0.042 0.000 1.239 3 Y CB 0.753 39.225 38.460 0.020 0.000 1.170 3 Y HN 0.032 nan 8.280 nan 0.000 0.515 4 N N 3.834 122.217 118.700 -0.530 0.000 2.235 4 N HA 0.212 4.951 4.740 -0.001 0.000 0.231 4 N C 0.213 175.247 175.510 -0.794 0.000 1.177 4 N CA 0.147 52.924 53.050 -0.455 0.000 0.874 4 N CB 0.919 39.332 38.487 -0.122 0.000 1.097 4 N HN 0.821 nan 8.380 nan 0.000 0.518 5 G N 0.448 108.110 108.800 -1.896 0.000 2.543 5 G HA2 0.374 4.333 3.960 -0.001 0.000 0.290 5 G HA3 0.374 4.333 3.960 -0.001 0.000 0.290 5 G C -2.566 171.676 174.900 -1.096 0.000 1.310 5 G CA -1.011 42.808 45.100 -2.136 0.000 1.025 5 G HN -0.044 nan 8.290 nan 0.000 0.502 6 P HA 0.243 nan 4.420 nan 0.000 0.268 6 P C -0.566 176.635 177.300 -0.166 0.000 1.205 6 P CA 0.150 62.893 63.100 -0.596 0.000 0.771 6 P CB 0.707 31.722 31.700 -1.142 0.000 0.858 7 L N 1.196 122.389 121.223 -0.051 0.000 2.354 7 L HA 0.388 4.728 4.340 -0.001 0.000 0.269 7 L C 0.734 177.576 176.870 -0.047 0.000 1.005 7 L CA -0.997 53.845 54.840 0.004 0.000 0.819 7 L CB 1.999 44.082 42.059 0.039 0.000 1.311 7 L HN 0.296 nan 8.230 nan 0.000 0.423 8 S N 0.829 116.487 115.700 -0.069 0.000 2.558 8 S HA 0.122 4.591 4.470 -0.001 0.000 0.288 8 S C 0.182 174.672 174.600 -0.185 0.000 1.318 8 S CA -0.425 57.688 58.200 -0.144 0.000 1.056 8 S CB 0.424 63.539 63.200 -0.143 0.000 0.853 8 S HN 0.584 nan 8.310 nan 0.000 0.505 9 S N 3.068 118.574 115.700 -0.324 0.000 2.592 9 S HA 0.463 4.932 4.470 -0.001 0.000 0.271 9 S C -0.570 173.545 174.600 -0.809 0.000 1.326 9 S CA -0.425 57.370 58.200 -0.675 0.000 1.024 9 S CB 0.332 63.052 63.200 -0.800 0.000 0.921 9 S HN 0.928 nan 8.310 nan 0.000 0.527 10 H N -1.882 116.567 119.070 -1.034 0.000 3.079 10 H HA 0.670 5.225 4.556 -0.001 0.000 0.356 10 H C -1.994 172.827 175.328 -0.845 0.000 1.221 10 H CA -1.025 54.524 56.048 -0.831 0.000 1.185 10 H CB 0.675 30.154 29.762 -0.472 0.000 1.882 10 H HN 0.522 nan 8.280 nan 0.000 0.543 11 W N 1.946 123.143 121.300 -0.171 0.000 3.127 11 W HA 0.433 5.093 4.660 -0.001 0.000 0.330 11 W C -1.466 174.828 176.519 -0.374 0.000 1.187 11 W CA -1.080 56.141 57.345 -0.206 0.000 1.198 11 W CB 1.687 31.054 29.460 -0.155 0.000 1.408 11 W HN 0.450 nan 8.180 nan 0.000 0.529 12 F N 1.764 121.758 119.950 0.074 0.000 2.370 12 F HA 0.283 4.810 4.527 -0.001 0.000 0.319 12 F C -1.099 174.688 175.800 -0.021 0.000 1.129 12 F CA -1.919 55.986 58.000 -0.158 0.000 1.109 12 F CB -0.030 38.802 39.000 -0.280 0.000 1.262 12 F HN -0.014 nan 8.300 nan 0.000 0.534 13 P HA -0.176 nan 4.420 nan 0.000 0.216 13 P C 1.231 178.615 177.300 0.140 0.000 1.150 13 P CA 1.522 64.709 63.100 0.144 0.000 0.843 13 P CB 0.234 32.066 31.700 0.219 0.000 0.787 14 E N -0.247 120.061 120.200 0.180 0.000 2.204 14 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 14 E C 1.828 178.512 176.600 0.140 0.000 0.989 14 E CA 1.064 57.554 56.400 0.149 0.000 0.824 14 E CB -0.462 29.328 29.700 0.150 0.000 0.756 14 E HN 0.478 nan 8.360 nan 0.000 0.477 15 E N 0.309 120.625 120.200 0.193 0.000 2.107 15 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 15 E C 2.016 178.669 176.600 0.088 0.000 0.982 15 E CA 0.330 56.864 56.400 0.224 0.000 0.809 15 E CB -0.070 29.861 29.700 0.385 0.000 0.756 15 E HN 0.038 nan 8.360 nan 0.000 0.459 16 L N 1.357 122.525 121.223 -0.092 0.000 2.017 16 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 16 L C 2.262 179.031 176.870 -0.168 0.000 1.073 16 L CA 1.985 56.548 54.840 -0.461 0.000 0.745 16 L CB -0.853 40.924 42.059 -0.469 0.000 0.894 16 L HN 0.071 nan 8.230 nan 0.000 0.432 17 A N -0.332 122.460 122.820 -0.047 0.000 1.915 17 A HA -0.303 4.017 4.320 -0.001 0.000 0.220 17 A C 1.952 179.546 177.584 0.018 0.000 1.198 17 A CA 2.292 54.332 52.037 0.005 0.000 0.647 17 A CB -0.779 18.244 19.000 0.040 0.000 0.825 17 A HN 0.781 nan 8.150 nan 0.000 0.456 18 Q N -2.468 117.358 119.800 0.042 0.000 2.246 18 Q HA 0.124 4.464 4.340 -0.001 0.000 0.202 18 Q C 0.105 176.142 176.000 0.062 0.000 0.883 18 Q CA -0.511 55.318 55.803 0.042 0.000 0.952 18 Q CB -0.250 28.518 28.738 0.051 0.000 1.078 18 Q HN 0.708 nan 8.270 nan 0.000 0.493 19 W N 2.439 123.653 121.300 -0.144 0.000 2.311 19 W HA 0.260 4.919 4.660 -0.001 0.000 0.310 19 W C -0.536 175.892 176.519 -0.151 0.000 1.274 19 W CA -0.081 57.177 57.345 -0.145 0.000 1.215 19 W CB 0.936 30.199 29.460 -0.328 0.000 1.227 19 W HN -0.116 nan 8.180 nan 0.000 0.523 20 E N 7.335 127.001 120.200 -0.890 0.000 2.218 20 E HA 0.215 4.565 4.350 -0.001 0.000 0.263 20 E C -1.820 174.000 176.600 -1.301 0.000 0.879 20 E CA -2.327 53.476 56.400 -0.996 0.000 0.762 20 E CB 2.153 31.562 29.700 -0.484 0.000 1.166 20 E HN 0.206 nan 8.360 nan 0.000 0.415 21 P HA -0.142 nan 4.420 nan 0.000 0.216 21 P C 0.509 177.509 177.300 -0.499 0.000 1.153 21 P CA 1.108 63.553 63.100 -1.092 0.000 0.858 21 P CB 0.449 31.270 31.700 -1.466 0.000 0.789 22 D N -1.245 118.915 120.400 -0.400 0.000 2.311 22 D HA -0.097 4.542 4.640 -0.001 0.000 0.212 22 D C 1.706 177.920 176.300 -0.143 0.000 0.972 22 D CA 1.470 55.354 54.000 -0.192 0.000 0.887 22 D CB -0.402 40.304 40.800 -0.156 0.000 0.915 22 D HN 0.292 nan 8.370 nan 0.000 0.497 23 S N -1.241 114.341 115.700 -0.198 0.000 2.523 23 S HA 0.017 4.486 4.470 -0.001 0.000 0.217 23 S C 0.477 175.040 174.600 -0.061 0.000 0.996 23 S CA -0.533 57.596 58.200 -0.118 0.000 0.921 23 S CB 0.660 63.782 63.200 -0.131 0.000 0.829 23 S HN -0.103 nan 8.310 nan 0.000 0.495 24 D N 3.142 123.504 120.400 -0.064 0.000 2.347 24 D HA 0.375 5.014 4.640 -0.001 0.000 0.235 24 D C -1.836 174.572 176.300 0.181 0.000 1.149 24 D CA -2.249 51.815 54.000 0.106 0.000 0.850 24 D CB 1.751 42.703 40.800 0.254 0.000 1.061 24 D HN 0.002 nan 8.370 nan 0.000 0.487 25 P HA -0.077 nan 4.420 nan 0.000 0.219 25 P C 0.347 177.927 177.300 0.467 0.000 1.146 25 P CA 0.870 64.121 63.100 0.252 0.000 0.808 25 P CB 0.465 32.230 31.700 0.109 0.000 0.779 26 D N -1.356 119.297 120.400 0.422 0.000 2.327 26 D HA 0.086 4.725 4.640 -0.001 0.000 0.205 26 D C 1.991 178.600 176.300 0.516 0.000 0.989 26 D CA 0.673 54.950 54.000 0.463 0.000 0.873 26 D CB -0.694 40.265 40.800 0.266 0.000 0.955 26 D HN -0.004 nan 8.370 nan 0.000 0.515 27 A N 1.795 124.939 122.820 0.541 0.000 1.917 27 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 27 A C -0.302 177.682 177.584 0.666 0.000 1.182 27 A CA 1.402 53.886 52.037 0.745 0.000 0.633 27 A CB -1.442 17.947 19.000 0.648 0.000 0.819 27 A HN 0.208 nan 8.150 nan 0.000 0.448 28 P HA -0.036 nan 4.420 nan 0.000 0.222 28 P C 0.843 178.125 177.300 -0.030 0.000 1.153 28 P CA 0.695 63.887 63.100 0.153 0.000 0.798 28 P CB -0.169 31.483 31.700 -0.079 0.000 0.796 29 F N -0.475 119.530 119.950 0.091 0.000 2.407 29 F HA -0.014 4.513 4.527 -0.001 0.000 0.299 29 F C 1.747 177.520 175.800 -0.044 0.000 1.097 29 F CA 0.863 58.865 58.000 0.004 0.000 1.422 29 F CB -0.765 38.212 39.000 -0.039 0.000 1.067 29 F HN -0.061 nan 8.300 nan 0.000 0.539 30 N N 0.205 118.943 118.700 0.064 0.000 2.280 30 N HA 0.047 4.786 4.740 -0.001 0.000 0.192 30 N C -0.029 175.255 175.510 -0.378 0.000 1.109 30 N CA 0.112 52.974 53.050 -0.313 0.000 0.855 30 N CB 0.082 38.124 38.487 -0.743 0.000 0.974 30 N HN 0.204 nan 8.380 nan 0.000 0.482 31 R N 0.901 121.363 120.500 -0.063 0.000 2.347 31 R HA 0.161 4.501 4.340 -0.001 0.000 0.304 31 R C 0.407 176.647 176.300 -0.100 0.000 1.072 31 R CA -0.099 55.964 56.100 -0.061 0.000 0.980 31 R CB 0.748 30.920 30.300 -0.214 0.000 0.986 31 R HN -0.093 nan 8.270 nan 0.000 0.448 32 S N 1.530 117.168 115.700 -0.102 0.000 2.549 32 S HA 0.026 4.496 4.470 -0.001 0.000 0.279 32 S C 0.018 174.500 174.600 -0.197 0.000 1.321 32 S CA -0.421 57.734 58.200 -0.075 0.000 1.054 32 S CB 0.315 63.477 63.200 -0.063 0.000 0.899 32 S HN 0.644 nan 8.310 nan 0.000 0.497 33 H N 2.394 121.471 119.070 0.011 0.000 2.469 33 H HA 0.406 4.961 4.556 -0.001 0.000 0.286 33 H C -0.829 174.526 175.328 0.045 0.000 1.106 33 H CA -0.123 55.942 56.048 0.029 0.000 1.055 33 H CB 0.527 30.311 29.762 0.037 0.000 1.618 33 H HN 0.270 nan 8.280 nan 0.000 0.559 34 V N 2.550 122.538 119.914 0.123 0.000 2.380 34 V HA 0.288 4.407 4.120 -0.001 0.000 0.286 34 V C -2.356 173.857 176.094 0.198 0.000 1.015 34 V CA -2.042 60.330 62.300 0.120 0.000 0.834 34 V CB 1.777 33.645 31.823 0.075 0.000 1.009 34 V HN 0.132 nan 8.190 nan 0.000 0.428 35 P HA 0.162 nan 4.420 nan 0.000 0.271 35 P C -0.263 176.967 177.300 -0.117 0.000 1.218 35 P CA -0.528 62.592 63.100 0.034 0.000 0.780 35 P CB 0.609 32.307 31.700 -0.003 0.000 0.901 36 L N 2.936 123.828 121.223 -0.551 0.000 2.700 36 L HA -0.027 4.313 4.340 -0.001 0.000 0.272 36 L C 0.390 177.138 176.870 -0.204 0.000 1.176 36 L CA 0.692 55.167 54.840 -0.608 0.000 0.961 36 L CB -0.894 40.765 42.059 -0.666 0.000 1.249 36 L HN 0.266 nan 8.230 nan 0.000 0.487 37 E N 7.311 127.451 120.200 -0.100 0.000 2.415 37 E HA 0.122 4.472 4.350 -0.001 0.000 0.260 37 E C -2.145 174.432 176.600 -0.038 0.000 1.016 37 E CA -1.357 55.018 56.400 -0.042 0.000 0.924 37 E CB 0.113 29.806 29.700 -0.011 0.000 0.961 37 E HN 0.493 nan 8.360 nan 0.000 0.459 38 P HA 0.207 nan 4.420 nan 0.000 0.281 38 P C -0.149 177.151 177.300 -0.000 0.000 1.249 38 P CA -0.362 62.730 63.100 -0.013 0.000 0.810 38 P CB 0.821 32.515 31.700 -0.010 0.000 1.008 39 G N 1.437 110.244 108.800 0.011 0.000 2.438 39 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.272 39 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.272 39 G C -0.234 174.670 174.900 0.008 0.000 0.991 39 G CA -0.476 44.633 45.100 0.015 0.000 1.348 39 G HN 0.579 nan 8.290 nan 0.000 0.483 40 R N -0.636 119.876 120.500 0.022 0.000 2.560 40 R HA 0.671 5.011 4.340 -0.001 0.000 0.270 40 R C 0.255 176.564 176.300 0.016 0.000 1.074 40 R CA -0.627 55.482 56.100 0.015 0.000 1.140 40 R CB 1.648 31.973 30.300 0.041 0.000 1.073 40 R HN 0.371 nan 8.270 nan 0.000 0.527 41 V N 1.005 120.916 119.914 -0.005 0.000 2.604 41 V HA 0.656 4.776 4.120 -0.001 0.000 0.305 41 V C -0.576 175.528 176.094 0.017 0.000 1.043 41 V CA -0.555 61.746 62.300 0.002 0.000 0.888 41 V CB 1.684 33.491 31.823 -0.027 0.000 0.995 41 V HN 0.935 nan 8.190 nan 0.000 0.429 42 A N 4.596 127.445 122.820 0.049 0.000 2.286 42 A HA 0.721 5.041 4.320 -0.001 0.000 0.286 42 A C -0.320 177.324 177.584 0.099 0.000 1.097 42 A CA -0.366 51.720 52.037 0.083 0.000 0.821 42 A CB 0.649 19.710 19.000 0.102 0.000 1.076 42 A HN 0.988 nan 8.150 nan 0.000 0.490 43 D N -0.796 119.699 120.400 0.157 0.000 2.440 43 D HA 0.457 5.097 4.640 -0.001 0.000 0.258 43 D C -0.104 176.317 176.300 0.203 0.000 1.092 43 D CA -0.656 53.495 54.000 0.251 0.000 1.016 43 D CB 0.863 41.940 40.800 0.462 0.000 1.141 43 D HN 0.429 nan 8.370 nan 0.000 0.552 44 R N -0.089 120.525 120.500 0.190 0.000 2.615 44 R HA 0.164 4.504 4.340 -0.001 0.000 0.448 44 R C 1.098 177.430 176.300 0.052 0.000 1.009 44 R CA 0.032 56.190 56.100 0.096 0.000 1.111 44 R CB 0.732 31.065 30.300 0.055 0.000 1.461 44 R HN 0.370 nan 8.270 nan 0.000 0.587 45 V N -1.988 117.968 119.914 0.071 0.000 3.041 45 V HA 0.083 4.202 4.120 -0.001 0.000 0.260 45 V C 0.688 176.757 176.094 -0.041 0.000 1.105 45 V CA 0.737 63.011 62.300 -0.042 0.000 1.125 45 V CB -0.225 31.481 31.823 -0.194 0.000 0.730 45 V HN 0.162 nan 8.190 nan 0.000 0.479 46 N N 0.624 119.317 118.700 -0.012 0.000 2.446 46 N HA 0.503 5.243 4.740 -0.001 0.000 0.265 46 N C 0.885 176.326 175.510 -0.114 0.000 0.975 46 N CA 0.514 53.520 53.050 -0.074 0.000 0.928 46 N CB 2.045 40.480 38.487 -0.088 0.000 1.160 46 N HN 0.263 nan 8.380 nan 0.000 0.495 47 A N 3.759 126.503 122.820 -0.128 0.000 2.015 47 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 47 A C 1.768 179.247 177.584 -0.175 0.000 1.163 47 A CA 0.927 52.891 52.037 -0.123 0.000 0.646 47 A CB -0.321 18.619 19.000 -0.100 0.000 0.806 47 A HN 0.847 nan 8.150 nan 0.000 0.448 48 N N 0.135 118.666 118.700 -0.283 0.000 2.446 48 N HA 0.058 4.798 4.740 -0.001 0.000 0.179 48 N C 0.689 175.955 175.510 -0.407 0.000 1.054 48 N CA 0.540 53.349 53.050 -0.402 0.000 0.905 48 N CB -0.101 37.938 38.487 -0.746 0.000 0.973 48 N HN 0.396 nan 8.380 nan 0.000 0.448 49 A N 1.580 124.193 122.820 -0.344 0.000 2.440 49 A HA 0.143 4.463 4.320 -0.001 0.000 0.251 49 A C -0.093 177.371 177.584 -0.201 0.000 1.089 49 A CA -0.361 51.500 52.037 -0.293 0.000 0.779 49 A CB 0.250 19.150 19.000 -0.166 0.000 1.022 49 A HN 0.469 nan 8.150 nan 0.000 0.492 50 D N 1.043 121.305 120.400 -0.230 0.000 2.392 50 D HA 0.303 4.943 4.640 -0.001 0.000 0.246 50 D C 0.104 176.317 176.300 -0.145 0.000 1.013 50 D CA -0.664 53.232 54.000 -0.172 0.000 0.993 50 D CB 1.311 42.002 40.800 -0.182 0.000 1.219 50 D HN 0.553 nan 8.370 nan 0.000 0.538 51 K N -0.731 119.596 120.400 -0.122 0.000 2.358 51 K HA 0.144 4.464 4.320 -0.001 0.000 0.197 51 K C 0.197 176.678 176.600 -0.197 0.000 1.025 51 K CA -0.147 56.085 56.287 -0.090 0.000 1.104 51 K CB 0.582 33.056 32.500 -0.042 0.000 0.855 51 K HN 0.161 nan 8.250 nan 0.000 0.531 52 D N 2.248 122.442 120.400 -0.342 0.000 2.290 52 D HA 0.019 4.659 4.640 -0.001 0.000 0.224 52 D C 0.612 176.300 176.300 -1.020 0.000 0.967 52 D CA 0.532 54.119 54.000 -0.687 0.000 0.893 52 D CB -0.061 40.272 40.800 -0.778 0.000 1.037 52 D HN 0.289 nan 8.370 nan 0.000 0.477 53 A N 1.053 123.459 122.820 -0.689 0.000 2.511 53 A HA 0.171 4.491 4.320 -0.001 0.000 0.242 53 A C -0.318 177.300 177.584 0.056 0.000 1.069 53 A CA 0.277 52.151 52.037 -0.273 0.000 0.763 53 A CB -0.185 18.869 19.000 0.089 0.000 1.001 53 A HN 0.202 nan 8.150 nan 0.000 0.498 54 H N -0.161 119.145 119.070 0.392 0.000 2.570 54 H HA 0.734 5.290 4.556 -0.000 0.000 0.342 54 H C -0.588 175.066 175.328 0.542 0.000 1.245 54 H CA -0.634 55.710 56.048 0.493 0.000 1.318 54 H CB 1.469 31.504 29.762 0.455 0.000 1.694 54 H HN 0.613 nan 8.280 nan 0.000 0.592 55 L N 1.617 123.141 121.223 0.502 0.000 2.439 55 L HA 0.459 4.799 4.340 -0.001 0.000 0.270 55 L C -1.367 175.689 176.870 0.310 0.000 0.972 55 L CA -0.915 54.081 54.840 0.260 0.000 0.836 55 L CB 1.310 43.165 42.059 -0.341 0.000 1.255 55 L HN 0.522 nan 8.230 nan 0.000 0.404 56 V N 1.077 121.155 119.914 0.274 0.000 2.483 56 V HA 0.673 4.793 4.120 -0.001 0.000 0.295 56 V C -0.089 176.129 176.094 0.206 0.000 1.035 56 V CA -0.447 61.922 62.300 0.115 0.000 0.896 56 V CB 1.565 33.325 31.823 -0.105 0.000 0.986 56 V HN 0.740 nan 8.190 nan 0.000 0.447 57 S N 3.751 119.539 115.700 0.145 0.000 2.437 57 S HA 0.731 5.200 4.470 -0.001 0.000 0.305 57 S C -0.709 173.851 174.600 -0.068 0.000 1.109 57 S CA -0.499 57.748 58.200 0.078 0.000 1.099 57 S CB 0.777 63.998 63.200 0.035 0.000 1.004 57 S HN 0.635 nan 8.310 nan 0.000 0.475 58 L N 4.654 125.778 121.223 -0.165 0.000 2.270 58 L HA 0.461 4.800 4.340 -0.001 0.000 0.286 58 L C -0.154 176.468 176.870 -0.414 0.000 1.059 58 L CA 0.272 54.907 54.840 -0.341 0.000 0.839 58 L CB 0.693 42.363 42.059 -0.648 0.000 1.221 58 L HN 0.504 nan 8.230 nan 0.000 0.431 59 S N 1.738 117.256 115.700 -0.303 0.000 2.502 59 S HA 0.653 5.122 4.470 -0.001 0.000 0.304 59 S C 0.318 174.727 174.600 -0.318 0.000 1.097 59 S CA -0.764 57.216 58.200 -0.366 0.000 1.045 59 S CB 1.841 64.764 63.200 -0.461 0.000 1.019 59 S HN 0.569 nan 8.310 nan 0.000 0.481 60 A N 3.593 126.221 122.820 -0.320 0.000 3.030 60 A HA 0.272 4.592 4.320 -0.001 0.000 0.273 60 A C 1.130 178.458 177.584 -0.426 0.000 1.841 60 A CA -0.247 51.575 52.037 -0.358 0.000 1.479 60 A CB -1.096 17.744 19.000 -0.267 0.000 1.048 60 A HN 0.936 nan 8.150 nan 0.000 0.612 61 L N -0.114 120.840 121.223 -0.449 0.000 2.261 61 L HA -0.124 4.216 4.340 -0.001 0.000 0.216 61 L C 0.438 177.095 176.870 -0.355 0.000 1.114 61 L CA 0.767 55.402 54.840 -0.342 0.000 0.777 61 L CB -0.371 41.619 42.059 -0.115 0.000 0.910 61 L HN 0.549 nan 8.230 nan 0.000 0.440 62 N N -0.928 117.534 118.700 -0.397 0.000 2.296 62 N HA 0.164 4.904 4.740 -0.001 0.000 0.294 62 N C 0.470 175.774 175.510 -0.344 0.000 1.033 62 N CA -0.351 52.515 53.050 -0.308 0.000 0.839 62 N CB 2.039 40.436 38.487 -0.150 0.000 1.395 62 N HN -0.067 nan 8.380 nan 0.000 0.479 63 R N 0.775 121.080 120.500 -0.325 0.000 2.096 63 R HA -0.059 4.280 4.340 -0.001 0.000 0.235 63 R C -0.104 175.867 176.300 -0.549 0.000 1.127 63 R CA 1.345 57.192 56.100 -0.423 0.000 0.968 63 R CB 0.156 30.186 30.300 -0.450 0.000 0.861 63 R HN 0.554 nan 8.270 nan 0.000 0.440 64 H N -1.673 117.303 119.070 -0.158 0.000 2.573 64 H HA 0.164 4.719 4.556 -0.001 0.000 0.351 64 H C 0.609 175.815 175.328 -0.203 0.000 1.163 64 H CA -0.448 55.498 56.048 -0.170 0.000 1.205 64 H CB 2.234 31.919 29.762 -0.128 0.000 1.605 64 H HN -0.077 nan 8.280 nan 0.000 0.525 65 T N 1.052 115.540 114.554 -0.111 0.000 2.851 65 T HA -0.033 4.316 4.350 -0.001 0.000 0.262 65 T C 1.048 175.580 174.700 -0.280 0.000 1.043 65 T CA 1.037 63.001 62.100 -0.226 0.000 1.140 65 T CB 0.072 68.733 68.868 -0.347 0.000 0.872 65 T HN 0.649 nan 8.240 nan 0.000 0.446 66 S N -0.475 115.030 115.700 -0.325 0.000 2.687 66 S HA 0.563 5.033 4.470 -0.001 0.000 0.283 66 S C 1.227 175.791 174.600 -0.061 0.000 1.170 66 S CA -0.118 57.918 58.200 -0.274 0.000 1.008 66 S CB 1.303 64.302 63.200 -0.334 0.000 1.026 66 S HN 0.676 nan 8.310 nan 0.000 0.541 67 G N -0.571 108.244 108.800 0.026 0.000 2.148 67 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.254 67 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.254 67 G C -0.079 174.833 174.900 0.019 0.000 0.981 67 G CA 0.029 45.152 45.100 0.037 0.000 0.670 67 G HN 1.161 nan 8.290 nan 0.000 0.528 68 V N 2.018 121.937 119.914 0.009 0.000 2.389 68 V HA 0.343 4.463 4.120 -0.001 0.000 0.264 68 V C -1.419 174.642 176.094 -0.055 0.000 1.049 68 V CA -1.467 60.813 62.300 -0.032 0.000 0.932 68 V CB 1.166 32.977 31.823 -0.019 0.000 1.011 68 V HN 0.123 nan 8.190 nan 0.000 0.475 69 P HA 0.095 nan 4.420 nan 0.000 0.266 69 P C 0.942 178.182 177.300 -0.099 0.000 1.195 69 P CA 0.302 63.280 63.100 -0.203 0.000 0.768 69 P CB 0.636 32.006 31.700 -0.550 0.000 0.838 70 S N 1.581 117.248 115.700 -0.055 0.000 2.387 70 S HA -0.203 4.267 4.470 -0.001 0.000 0.230 70 S C 0.925 175.517 174.600 -0.012 0.000 1.035 70 S CA 1.535 59.711 58.200 -0.039 0.000 1.014 70 S CB -0.332 62.872 63.200 0.007 0.000 0.836 70 S HN 0.611 nan 8.310 nan 0.000 0.466 71 Q N -0.429 119.377 119.800 0.010 0.000 2.144 71 Q HA 0.443 4.783 4.340 -0.001 0.000 0.305 71 Q C 0.056 176.092 176.000 0.060 0.000 0.876 71 Q CA -0.103 55.734 55.803 0.057 0.000 1.130 71 Q CB 1.250 30.061 28.738 0.122 0.000 1.267 71 Q HN 0.461 nan 8.270 nan 0.000 0.433 72 G N 0.452 109.266 108.800 0.023 0.000 2.661 72 G HA2 0.201 4.160 3.960 -0.001 0.000 0.685 72 G HA3 0.201 4.160 3.960 -0.001 0.000 0.685 72 G C -1.219 173.673 174.900 -0.013 0.000 1.298 72 G CA -0.558 44.571 45.100 0.049 0.000 0.855 72 G HN 0.538 nan 8.290 nan 0.000 0.560 73 A N -0.646 122.188 122.820 0.024 0.000 2.601 73 A HA 0.891 5.210 4.320 -0.001 0.000 0.291 73 A C -3.030 174.598 177.584 0.074 0.000 1.075 73 A CA -0.420 51.601 52.037 -0.027 0.000 0.671 73 A CB 1.808 20.733 19.000 -0.124 0.000 1.277 73 A HN 0.919 nan 8.150 nan 0.000 0.417 74 P HA 0.354 nan 4.420 nan 0.000 0.225 74 P C -0.947 176.415 177.300 0.103 0.000 1.768 74 P CA 0.231 63.406 63.100 0.126 0.000 0.943 74 P CB -0.134 31.628 31.700 0.102 0.000 1.936 75 V N 2.060 122.028 119.914 0.090 0.000 2.569 75 V HA 0.200 4.319 4.120 -0.001 0.000 0.301 75 V C 0.738 176.881 176.094 0.081 0.000 1.044 75 V CA -0.521 61.828 62.300 0.081 0.000 0.874 75 V CB 1.696 33.544 31.823 0.041 0.000 1.002 75 V HN 0.077 nan 8.190 nan 0.000 0.424 76 F N 5.093 124.997 119.950 -0.076 0.000 2.098 76 F HA 0.013 4.539 4.527 -0.001 0.000 0.294 76 F C 0.938 176.663 175.800 -0.126 0.000 1.107 76 F CA 1.070 58.963 58.000 -0.178 0.000 1.234 76 F CB -0.155 38.758 39.000 -0.145 0.000 1.002 76 F HN 0.480 nan 8.300 nan 0.000 0.472 77 Y N 2.544 122.707 120.300 -0.229 0.000 2.573 77 Y HA 0.349 4.898 4.550 -0.001 0.000 0.346 77 Y C -0.356 175.536 175.900 -0.014 0.000 1.198 77 Y CA -0.402 57.532 58.100 -0.277 0.000 1.627 77 Y CB -0.844 37.475 38.460 -0.236 0.000 1.457 77 Y HN 0.159 nan 8.280 nan 0.000 0.483 78 E N 3.001 122.982 120.200 -0.366 0.000 2.369 78 E HA 0.249 4.599 4.350 -0.001 0.000 0.270 78 E C -1.336 174.742 176.600 -0.869 0.000 0.909 78 E CA -0.899 55.226 56.400 -0.458 0.000 0.775 78 E CB 0.896 30.424 29.700 -0.287 0.000 1.270 78 E HN 0.366 nan 8.360 nan 0.000 0.445 79 N N 1.673 119.505 118.700 -1.447 0.000 2.434 79 N HA 0.005 4.745 4.740 -0.001 0.000 0.273 79 N C -0.702 174.594 175.510 -0.358 0.000 1.210 79 N CA 0.349 52.536 53.050 -1.439 0.000 0.992 79 N CB 0.010 37.592 38.487 -1.509 0.000 1.355 79 N HN 0.408 nan 8.380 nan 0.000 0.495 80 T N 4.685 119.298 114.554 0.098 0.000 3.218 80 T HA 0.132 4.481 4.350 -0.001 0.000 0.236 80 T C 0.194 175.056 174.700 0.269 0.000 1.005 80 T CA -0.759 61.479 62.100 0.230 0.000 1.055 80 T CB -1.266 67.750 68.868 0.247 0.000 1.136 80 T HN 0.305 nan 8.240 nan 0.000 0.577 81 F N 3.118 123.075 119.950 0.012 0.000 2.604 81 F HA 0.161 4.687 4.527 -0.001 0.000 0.390 81 F C 1.133 176.672 175.800 -0.435 0.000 1.053 81 F CA 0.892 58.727 58.000 -0.274 0.000 1.256 81 F CB 0.697 39.382 39.000 -0.524 0.000 0.996 81 F HN 0.406 nan 8.300 nan 0.000 0.564 82 S N 3.999 118.966 115.700 -1.223 0.000 2.819 82 S HA 0.185 4.655 4.470 -0.001 0.000 0.249 82 S C -0.226 173.516 174.600 -1.429 0.000 1.030 82 S CA -0.325 57.271 58.200 -1.007 0.000 1.052 82 S CB -0.633 62.148 63.200 -0.698 0.000 1.017 82 S HN 0.655 nan 8.310 nan 0.000 0.576 83 Y N 0.997 119.991 120.300 -2.177 0.000 2.801 83 Y HA 0.397 4.946 4.550 -0.001 0.000 0.318 83 Y C 0.558 175.647 175.900 -1.351 0.000 1.073 83 Y CA -1.257 55.811 58.100 -1.720 0.000 1.360 83 Y CB -0.542 36.720 38.460 -1.997 0.000 1.220 83 Y HN 0.343 nan 8.280 nan 0.000 0.536 84 W N -0.447 120.448 121.300 -0.676 0.000 2.331 84 W HA -0.268 4.391 4.660 -0.001 0.000 0.291 84 W C 2.476 178.907 176.519 -0.146 0.000 1.214 84 W CA 1.613 58.862 57.345 -0.161 0.000 1.228 84 W CB -0.439 28.992 29.460 -0.049 0.000 1.135 84 W HN 0.411 nan 8.180 nan 0.000 0.537 85 H N -2.499 116.486 119.070 -0.141 0.000 2.518 85 H HA -0.143 4.412 4.556 -0.001 0.000 0.289 85 H C 0.746 175.934 175.328 -0.234 0.000 1.051 85 H CA 1.120 57.026 56.048 -0.236 0.000 1.280 85 H CB -1.152 28.355 29.762 -0.425 0.000 1.380 85 H HN 0.246 nan 8.280 nan 0.000 0.566 86 Y N 1.353 121.554 120.300 -0.165 0.000 2.485 86 Y HA 0.274 4.824 4.550 -0.001 0.000 0.260 86 Y C 0.506 176.494 175.900 0.146 0.000 1.173 86 Y CA -0.260 57.888 58.100 0.081 0.000 1.252 86 Y CB 0.556 39.175 38.460 0.266 0.000 1.123 86 Y HN 0.025 nan 8.280 nan 0.000 0.524 87 T N 0.874 115.564 114.554 0.227 0.000 2.771 87 T HA 0.151 4.500 4.350 -0.001 0.000 0.281 87 T C 0.443 175.297 174.700 0.256 0.000 0.982 87 T CA -0.493 61.772 62.100 0.275 0.000 0.978 87 T CB 1.194 70.241 68.868 0.299 0.000 0.930 87 T HN 0.214 nan 8.240 nan 0.000 0.447 88 D N 1.631 122.176 120.400 0.243 0.000 2.301 88 D HA 0.130 4.769 4.640 -0.001 0.000 0.206 88 D C -0.007 176.384 176.300 0.151 0.000 0.979 88 D CA 0.328 54.460 54.000 0.220 0.000 0.874 88 D CB 0.670 41.640 40.800 0.284 0.000 0.968 88 D HN 0.146 nan 8.370 nan 0.000 0.510 89 L N 0.847 122.153 121.223 0.140 0.000 2.493 89 L HA 0.382 4.722 4.340 -0.001 0.000 0.265 89 L C -1.668 175.268 176.870 0.110 0.000 0.954 89 L CA -0.679 54.200 54.840 0.065 0.000 0.844 89 L CB 2.178 44.180 42.059 -0.095 0.000 1.302 89 L HN -0.243 nan 8.230 nan 0.000 0.405 90 M N 5.213 124.898 119.600 0.141 0.000 2.227 90 M HA 0.666 5.145 4.480 -0.001 0.000 0.335 90 M C -1.708 174.648 176.300 0.093 0.000 1.053 90 M CA -0.364 55.017 55.300 0.136 0.000 0.973 90 M CB 1.538 34.304 32.600 0.277 0.000 1.623 90 M HN 0.233 nan 8.290 nan 0.000 0.434 91 V N 6.226 126.163 119.914 0.038 0.000 2.347 91 V HA 0.237 4.357 4.120 -0.001 0.000 0.280 91 V C -0.932 175.193 176.094 0.051 0.000 1.021 91 V CA -0.656 61.672 62.300 0.047 0.000 0.847 91 V CB 0.847 32.650 31.823 -0.034 0.000 0.990 91 V HN 0.777 nan 8.190 nan 0.000 0.444 92 Y N 5.523 125.776 120.300 -0.078 0.000 2.730 92 Y HA 0.053 4.602 4.550 -0.001 0.000 0.354 92 Y C 0.296 176.144 175.900 -0.087 0.000 1.139 92 Y CA 0.026 58.054 58.100 -0.121 0.000 1.516 92 Y CB 0.208 38.533 38.460 -0.225 0.000 1.204 92 Y HN 0.741 nan 8.280 nan 0.000 0.520 93 W N 8.128 129.110 121.300 -0.530 0.000 2.419 93 W HA 0.498 5.158 4.660 -0.000 0.000 0.312 93 W C -1.049 175.132 176.519 -0.564 0.000 1.323 93 W CA -0.012 57.037 57.345 -0.493 0.000 1.293 93 W CB 0.489 29.659 29.460 -0.484 0.000 1.324 93 W HN 0.748 nan 8.180 nan 0.000 0.512 94 A N 4.031 126.186 122.820 -1.109 0.000 2.536 94 A HA 0.818 5.138 4.320 -0.001 0.000 0.293 94 A C -0.330 176.732 177.584 -0.869 0.000 1.119 94 A CA -0.095 51.439 52.037 -0.839 0.000 0.654 94 A CB 0.835 19.564 19.000 -0.451 0.000 1.291 94 A HN 1.410 nan 8.150 nan 0.000 0.439 95 G N -1.029 107.422 108.800 -0.581 0.000 3.069 95 G HA2 0.613 4.572 3.960 -0.001 0.000 0.686 95 G HA3 0.613 4.572 3.960 -0.001 0.000 0.686 95 G C -0.512 174.178 174.900 -0.350 0.000 1.161 95 G CA 0.342 45.189 45.100 -0.422 0.000 0.804 95 G HN 2.681 nan 8.290 nan 0.000 0.608 96 S N 0.363 115.986 115.700 -0.127 0.000 2.547 96 S HA 0.897 5.366 4.470 -0.001 0.000 0.270 96 S C 1.173 175.859 174.600 0.144 0.000 1.150 96 S CA 0.258 58.497 58.200 0.065 0.000 0.850 96 S CB 1.494 64.683 63.200 -0.019 0.000 1.118 96 S HN 2.400 nan 8.310 nan 0.000 0.461 97 A N 1.590 124.623 122.820 0.356 0.000 1.948 97 A HA 0.146 4.466 4.320 -0.001 0.000 0.220 97 A C 1.978 179.871 177.584 0.516 0.000 1.177 97 A CA 2.118 54.484 52.037 0.548 0.000 0.636 97 A CB -1.521 17.847 19.000 0.613 0.000 0.815 97 A HN 1.471 nan 8.150 nan 0.000 0.449 98 G N -1.340 107.653 108.800 0.322 0.000 2.551 98 G HA2 0.044 4.004 3.960 -0.001 0.000 0.216 98 G HA3 0.044 4.004 3.960 -0.001 0.000 0.216 98 G C 1.333 176.388 174.900 0.259 0.000 1.137 98 G CA 0.863 46.130 45.100 0.277 0.000 0.798 98 G HN 0.637 nan 8.290 nan 0.000 0.536 99 E N -1.261 118.974 120.200 0.059 0.000 2.399 99 E HA 0.400 4.750 4.350 -0.001 0.000 0.205 99 E C 0.761 177.039 176.600 -0.536 0.000 0.906 99 E CA 0.330 56.624 56.400 -0.178 0.000 0.998 99 E CB 1.191 30.684 29.700 -0.345 0.000 1.002 99 E HN 0.345 nan 8.360 nan 0.000 0.501 100 G N 1.373 109.545 108.800 -1.048 0.000 2.351 100 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.472 100 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.472 100 G C -0.093 174.362 174.900 -0.743 0.000 1.570 100 G CA -0.506 43.736 45.100 -1.429 0.000 0.921 100 G HN 0.166 nan 8.290 nan 0.000 0.674 101 I N -1.276 118.899 120.570 -0.658 0.000 4.139 101 I HA 0.570 4.739 4.170 -0.001 0.000 0.335 101 I C 0.251 176.244 176.117 -0.207 0.000 1.327 101 I CA -0.116 60.992 61.300 -0.320 0.000 1.112 101 I CB 0.365 38.182 38.000 -0.305 0.000 1.058 101 I HN 0.236 nan 8.210 nan 0.000 0.396 102 I N 3.207 123.695 120.570 -0.137 0.000 2.354 102 I HA 0.428 4.598 4.170 -0.001 0.000 0.286 102 I C -0.777 175.453 176.117 0.188 0.000 1.007 102 I CA -0.969 60.370 61.300 0.066 0.000 1.167 102 I CB 1.980 40.042 38.000 0.103 0.000 1.320 102 I HN -0.003 nan 8.210 nan 0.000 0.458 103 V N 8.487 128.552 119.914 0.253 0.000 2.524 103 V HA 0.641 4.760 4.120 -0.001 0.000 0.297 103 V C -2.646 173.484 176.094 0.060 0.000 1.035 103 V CA -1.908 60.455 62.300 0.104 0.000 0.867 103 V CB 2.234 34.046 31.823 -0.019 0.000 1.004 103 V HN 0.417 nan 8.190 nan 0.000 0.426 104 P HA 0.446 nan 4.420 nan 0.000 0.274 104 P C -2.954 173.738 177.300 -1.014 0.000 1.237 104 P CA -1.968 60.773 63.100 -0.598 0.000 0.793 104 P CB -0.025 31.603 31.700 -0.121 0.000 0.977 105 P HA 0.062 nan 4.420 nan 0.000 0.275 105 P C -0.013 176.668 177.300 -1.032 0.000 1.227 105 P CA -0.010 62.038 63.100 -1.754 0.000 0.781 105 P CB 0.075 31.177 31.700 -0.997 0.000 0.906 106 S N 1.564 116.762 115.700 -0.837 0.000 2.573 106 S HA 0.231 4.700 4.470 -0.001 0.000 0.277 106 S C 1.536 175.955 174.600 -0.301 0.000 1.346 106 S CA 0.008 57.961 58.200 -0.412 0.000 1.034 106 S CB 0.317 63.390 63.200 -0.212 0.000 0.879 106 S HN 0.530 nan 8.310 nan 0.000 0.528 107 A N 1.823 124.508 122.820 -0.225 0.000 1.978 107 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 107 A C 1.871 179.398 177.584 -0.095 0.000 1.170 107 A CA 1.649 53.596 52.037 -0.150 0.000 0.636 107 A CB -1.063 17.883 19.000 -0.089 0.000 0.810 107 A HN 0.990 nan 8.150 nan 0.000 0.448 108 D N -0.172 120.192 120.400 -0.060 0.000 2.144 108 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 108 D C 1.680 177.969 176.300 -0.018 0.000 0.984 108 D CA 1.535 55.530 54.000 -0.009 0.000 0.834 108 D CB -0.916 39.899 40.800 0.025 0.000 0.955 108 D HN 0.232 nan 8.370 nan 0.000 0.465 109 V N 0.665 120.558 119.914 -0.036 0.000 2.535 109 V HA -0.075 4.045 4.120 -0.001 0.000 0.246 109 V C 2.653 178.684 176.094 -0.104 0.000 1.045 109 V CA 0.641 62.952 62.300 0.019 0.000 1.058 109 V CB -0.317 31.561 31.823 0.091 0.000 0.689 109 V HN 0.156 nan 8.190 nan 0.000 0.461 110 I N 0.344 120.784 120.570 -0.216 0.000 2.151 110 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 110 I C 2.258 178.104 176.117 -0.450 0.000 1.080 110 I CA 1.802 62.873 61.300 -0.382 0.000 1.339 110 I CB -0.518 37.269 38.000 -0.355 0.000 1.039 110 I HN 0.339 nan 8.210 nan 0.000 0.409 111 D N 1.050 121.301 120.400 -0.248 0.000 2.097 111 D HA -0.152 4.488 4.640 -0.001 0.000 0.195 111 D C 2.272 178.460 176.300 -0.187 0.000 0.989 111 D CA 1.676 55.583 54.000 -0.156 0.000 0.827 111 D CB -0.324 40.440 40.800 -0.060 0.000 0.966 111 D HN 0.361 nan 8.370 nan 0.000 0.456 112 A N 0.451 123.141 122.820 -0.217 0.000 1.865 112 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 112 A C 2.368 179.410 177.584 -0.905 0.000 1.191 112 A CA 2.300 54.121 52.037 -0.360 0.000 0.623 112 A CB -1.002 17.942 19.000 -0.094 0.000 0.826 112 A HN 0.217 nan 8.150 nan 0.000 0.444 113 S N -1.184 113.877 115.700 -1.066 0.000 2.359 113 S HA -0.260 4.210 4.470 -0.001 0.000 0.223 113 S C 1.882 176.241 174.600 -0.402 0.000 1.039 113 S CA 1.874 59.427 58.200 -1.079 0.000 1.042 113 S CB -0.603 62.348 63.200 -0.415 0.000 0.915 113 S HN 0.773 nan 8.310 nan 0.000 0.439 114 H N 0.141 119.029 119.070 -0.304 0.000 2.353 114 H HA 0.021 4.576 4.556 -0.001 0.000 0.300 114 H C 2.556 177.796 175.328 -0.147 0.000 1.090 114 H CA 1.162 57.115 56.048 -0.159 0.000 1.327 114 H CB -0.005 29.706 29.762 -0.086 0.000 1.383 114 H HN 0.313 nan 8.280 nan 0.000 0.508 115 R N 0.638 121.109 120.500 -0.050 0.000 2.139 115 R HA -0.097 4.243 4.340 -0.001 0.000 0.243 115 R C 0.977 177.238 176.300 -0.066 0.000 1.145 115 R CA 1.040 57.112 56.100 -0.045 0.000 0.976 115 R CB -0.051 30.221 30.300 -0.046 0.000 0.866 115 R HN 0.462 nan 8.270 nan 0.000 0.449 116 N N -0.085 118.519 118.700 -0.161 0.000 2.276 116 N HA 0.036 4.775 4.740 -0.001 0.000 0.212 116 N C 0.448 175.950 175.510 -0.013 0.000 1.127 116 N CA 0.655 53.654 53.050 -0.084 0.000 0.834 116 N CB 1.324 39.743 38.487 -0.113 0.000 1.014 116 N HN 0.319 nan 8.380 nan 0.000 0.491 117 G N 0.854 109.643 108.800 -0.018 0.000 2.225 117 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.267 117 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.267 117 G C -0.035 174.892 174.900 0.045 0.000 1.024 117 G CA 0.151 45.253 45.100 0.004 0.000 0.784 117 G HN 0.206 nan 8.290 nan 0.000 0.507 118 V N 1.475 121.429 119.914 0.068 0.000 2.370 118 V HA 0.445 4.564 4.120 -0.001 0.000 0.279 118 V C -1.699 174.497 176.094 0.169 0.000 1.029 118 V CA -1.767 60.620 62.300 0.146 0.000 0.870 118 V CB 1.854 33.837 31.823 0.267 0.000 0.984 118 V HN 0.118 nan 8.190 nan 0.000 0.451 119 P HA 0.341 nan 4.420 nan 0.000 0.276 119 P C -0.588 176.823 177.300 0.185 0.000 1.230 119 P CA -0.012 63.185 63.100 0.162 0.000 0.776 119 P CB 0.845 32.604 31.700 0.099 0.000 0.888 120 I N 3.562 124.264 120.570 0.220 0.000 2.433 120 I HA 0.349 4.518 4.170 -0.001 0.000 0.292 120 I C -1.045 175.148 176.117 0.128 0.000 1.001 120 I CA -1.052 60.334 61.300 0.142 0.000 1.119 120 I CB 0.902 38.940 38.000 0.062 0.000 1.289 120 I HN 0.085 nan 8.210 nan 0.000 0.438 121 L N 6.853 128.126 121.223 0.083 0.000 2.331 121 L HA 0.650 4.990 4.340 -0.001 0.000 0.275 121 L C 0.683 177.463 176.870 -0.150 0.000 1.022 121 L CA -0.734 54.143 54.840 0.062 0.000 0.812 121 L CB 1.451 43.629 42.059 0.198 0.000 1.257 121 L HN 0.637 nan 8.230 nan 0.000 0.435 122 G N 0.549 109.065 108.800 -0.473 0.000 2.557 122 G HA2 0.257 4.217 3.960 -0.001 0.000 0.292 122 G HA3 0.257 4.217 3.960 -0.001 0.000 0.292 122 G C -0.946 173.993 174.900 0.066 0.000 1.237 122 G CA -0.361 44.373 45.100 -0.609 0.000 0.978 122 G HN 0.559 nan 8.290 nan 0.000 0.498 123 N N -1.468 117.404 118.700 0.287 0.000 2.314 123 N HA 0.479 5.218 4.740 -0.001 0.000 0.294 123 N C -1.040 174.735 175.510 0.442 0.000 1.029 123 N CA -0.434 52.835 53.050 0.365 0.000 0.845 123 N CB 2.165 40.630 38.487 -0.037 0.000 1.321 123 N HN 0.148 nan 8.380 nan 0.000 0.481 124 V N 4.082 124.211 119.914 0.360 0.000 2.293 124 V HA 0.375 4.495 4.120 -0.001 0.000 0.275 124 V C -0.865 175.166 176.094 -0.104 0.000 1.021 124 V CA -0.687 61.621 62.300 0.014 0.000 0.815 124 V CB 0.074 31.855 31.823 -0.070 0.000 1.025 124 V HN 0.563 nan 8.190 nan 0.000 0.448 125 F N 6.543 126.276 119.950 -0.362 0.000 2.293 125 F HA 0.609 5.135 4.527 -0.001 0.000 0.370 125 F C -0.479 175.186 175.800 -0.226 0.000 1.090 125 F CA -1.395 56.449 58.000 -0.261 0.000 1.133 125 F CB 0.556 39.375 39.000 -0.301 0.000 1.360 125 F HN 0.367 nan 8.300 nan 0.000 0.489 126 F N 7.240 127.034 119.950 -0.260 0.000 2.405 126 F HA 0.370 4.897 4.527 -0.001 0.000 0.358 126 F C -2.150 173.392 175.800 -0.431 0.000 1.151 126 F CA -2.760 55.130 58.000 -0.183 0.000 1.161 126 F CB -0.128 38.837 39.000 -0.057 0.000 1.245 126 F HN 0.317 nan 8.300 nan 0.000 0.545 127 P HA 0.204 nan 4.420 nan 0.000 0.277 127 P C -2.585 174.772 177.300 0.095 0.000 1.240 127 P CA -1.726 61.209 63.100 -0.275 0.000 0.798 127 P CB 0.274 32.083 31.700 0.182 0.000 0.979 128 P HA -0.078 nan 4.420 nan 0.000 0.265 128 P C 1.224 178.601 177.300 0.128 0.000 1.187 128 P CA 0.553 63.775 63.100 0.203 0.000 0.766 128 P CB -0.141 31.729 31.700 0.283 0.000 0.820 129 T N -1.121 113.462 114.554 0.049 0.000 2.778 129 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 129 T C 1.454 176.139 174.700 -0.026 0.000 1.050 129 T CA 1.666 63.772 62.100 0.009 0.000 1.137 129 T CB -1.327 67.529 68.868 -0.021 0.000 0.860 129 T HN 0.156 nan 8.240 nan 0.000 0.468 130 V N -0.651 119.178 119.914 -0.142 0.000 2.867 130 V HA -0.045 4.074 4.120 -0.001 0.000 0.260 130 V C 1.384 177.300 176.094 -0.297 0.000 1.099 130 V CA 0.977 63.103 62.300 -0.289 0.000 1.122 130 V CB -1.282 30.228 31.823 -0.523 0.000 0.708 130 V HN 0.537 nan 8.190 nan 0.000 0.490 131 Y N 0.403 120.801 120.300 0.162 0.000 2.720 131 Y HA 0.586 5.135 4.550 -0.001 0.000 0.277 131 Y C 1.682 177.715 175.900 0.220 0.000 1.144 131 Y CA -0.614 57.605 58.100 0.198 0.000 1.221 131 Y CB 0.219 38.834 38.460 0.258 0.000 1.163 131 Y HN 0.245 nan 8.280 nan 0.000 0.537 132 G N -0.379 108.576 108.800 0.258 0.000 2.143 132 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.249 132 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.249 132 G C 0.810 175.849 174.900 0.232 0.000 0.981 132 G CA -0.124 45.118 45.100 0.236 0.000 0.665 132 G HN 0.794 nan 8.290 nan 0.000 0.528 133 G N -0.638 108.293 108.800 0.220 0.000 2.474 133 G HA2 0.425 4.385 3.960 -0.001 0.000 0.233 133 G HA3 0.425 4.385 3.960 -0.001 0.000 0.233 133 G C -0.066 174.728 174.900 -0.177 0.000 1.278 133 G CA 0.264 45.455 45.100 0.151 0.000 0.861 133 G HN 0.404 nan 8.290 nan 0.000 0.567 134 Q N 1.669 121.199 119.800 -0.449 0.000 2.292 134 Q HA 0.227 4.567 4.340 -0.001 0.000 0.270 134 Q C 1.229 177.010 176.000 -0.365 0.000 1.024 134 Q CA -0.750 54.656 55.803 -0.661 0.000 0.768 134 Q CB 2.055 29.893 28.738 -1.500 0.000 1.250 134 Q HN 0.526 nan 8.270 nan 0.000 0.447 135 L N 1.357 122.445 121.223 -0.224 0.000 2.081 135 L HA -0.281 4.059 4.340 -0.001 0.000 0.212 135 L C 2.183 178.982 176.870 -0.119 0.000 1.080 135 L CA 1.636 56.391 54.840 -0.142 0.000 0.754 135 L CB 0.088 42.076 42.059 -0.118 0.000 0.893 135 L HN 0.786 nan 8.230 nan 0.000 0.433 136 E N -0.438 119.650 120.200 -0.186 0.000 2.070 136 E HA -0.275 4.075 4.350 -0.001 0.000 0.197 136 E C 2.059 178.707 176.600 0.079 0.000 1.004 136 E CA 1.870 58.211 56.400 -0.099 0.000 0.805 136 E CB -0.113 29.482 29.700 -0.174 0.000 0.744 136 E HN 0.458 nan 8.360 nan 0.000 0.451 137 W N 0.470 121.837 121.300 0.112 0.000 2.338 137 W HA -0.181 4.479 4.660 -0.001 0.000 0.304 137 W C 2.280 178.923 176.519 0.205 0.000 1.212 137 W CA 0.413 57.884 57.345 0.210 0.000 1.264 137 W CB -1.406 28.250 29.460 0.326 0.000 1.142 137 W HN 0.274 nan 8.180 nan 0.000 0.512 138 L N 1.333 122.695 121.223 0.231 0.000 2.012 138 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 138 L C 2.269 179.073 176.870 -0.110 0.000 1.073 138 L CA 2.086 56.768 54.840 -0.263 0.000 0.748 138 L CB -1.062 40.675 42.059 -0.537 0.000 0.891 138 L HN -0.149 nan 8.230 nan 0.000 0.431 139 E N -0.373 119.811 120.200 -0.026 0.000 2.077 139 E HA -0.261 4.089 4.350 -0.001 0.000 0.193 139 E C 2.127 178.770 176.600 0.072 0.000 0.989 139 E CA 1.489 57.893 56.400 0.007 0.000 0.800 139 E CB -0.328 29.374 29.700 0.004 0.000 0.746 139 E HN 0.696 nan 8.360 nan 0.000 0.452 140 Q N -0.161 119.716 119.800 0.129 0.000 2.061 140 Q HA -0.121 4.219 4.340 -0.001 0.000 0.204 140 Q C 2.215 178.320 176.000 0.175 0.000 0.984 140 Q CA 1.327 57.227 55.803 0.162 0.000 0.846 140 Q CB -0.133 28.741 28.738 0.226 0.000 0.902 140 Q HN 0.218 nan 8.270 nan 0.000 0.421 141 M N 0.033 119.747 119.600 0.190 0.000 2.213 141 M HA -0.111 4.369 4.480 -0.001 0.000 0.263 141 M C 1.792 178.208 176.300 0.193 0.000 1.062 141 M CA 1.317 56.725 55.300 0.181 0.000 1.105 141 M CB -0.496 32.208 32.600 0.174 0.000 1.385 141 M HN 0.248 nan 8.290 nan 0.000 0.417 142 L N -0.537 120.766 121.223 0.133 0.000 2.611 142 L HA 0.072 4.411 4.340 -0.001 0.000 0.229 142 L C 0.379 177.480 176.870 0.385 0.000 1.137 142 L CA -0.270 54.731 54.840 0.268 0.000 0.901 142 L CB -0.273 41.840 42.059 0.089 0.000 1.098 142 L HN 0.229 nan 8.230 nan 0.000 0.456 143 E N 1.357 121.703 120.200 0.243 0.000 2.452 143 E HA 0.008 4.357 4.350 -0.001 0.000 0.261 143 E C -0.064 176.506 176.600 -0.051 0.000 0.987 143 E CA 0.512 56.971 56.400 0.099 0.000 0.926 143 E CB 0.526 30.268 29.700 0.071 0.000 0.934 143 E HN 0.164 nan 8.360 nan 0.000 0.452 144 Q N 2.205 121.860 119.800 -0.241 0.000 2.323 144 Q HA 0.143 4.483 4.340 -0.001 0.000 0.271 144 Q C -0.905 174.896 176.000 -0.333 0.000 1.048 144 Q CA -0.765 54.701 55.803 -0.561 0.000 0.792 144 Q CB 1.365 29.654 28.738 -0.750 0.000 1.280 144 Q HN 0.422 nan 8.270 nan 0.000 0.441 145 E N 1.648 121.651 120.200 -0.328 0.000 2.342 145 E HA 0.004 4.354 4.350 -0.001 0.000 0.257 145 E C 0.415 176.905 176.600 -0.183 0.000 1.150 145 E CA 0.056 56.337 56.400 -0.199 0.000 0.926 145 E CB 0.732 30.336 29.700 -0.160 0.000 1.074 145 E HN 0.679 nan 8.360 nan 0.000 0.449 146 E N 0.669 120.797 120.200 -0.120 0.000 2.118 146 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 146 E C 1.346 177.887 176.600 -0.100 0.000 0.992 146 E CA 0.981 57.323 56.400 -0.096 0.000 0.804 146 E CB 0.013 29.674 29.700 -0.065 0.000 0.741 146 E HN 0.415 nan 8.360 nan 0.000 0.458 147 D N -0.169 120.171 120.400 -0.100 0.000 2.244 147 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 147 D C 1.648 177.881 176.300 -0.111 0.000 1.006 147 D CA 2.095 56.042 54.000 -0.088 0.000 0.888 147 D CB -0.267 40.482 40.800 -0.086 0.000 0.912 147 D HN 0.401 nan 8.370 nan 0.000 0.452 148 G N -0.865 107.818 108.800 -0.195 0.000 2.258 148 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.233 148 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.233 148 G C 0.454 175.085 174.900 -0.449 0.000 1.006 148 G CA 0.884 45.837 45.100 -0.246 0.000 0.620 148 G HN 0.810 nan 8.290 nan 0.000 0.511 149 S N 0.058 115.502 115.700 -0.427 0.000 2.584 149 S HA 0.629 5.098 4.470 -0.001 0.000 0.270 149 S C -0.180 173.912 174.600 -0.846 0.000 1.346 149 S CA -0.169 57.587 58.200 -0.741 0.000 1.018 149 S CB 0.845 63.880 63.200 -0.276 0.000 0.899 149 S HN 0.549 nan 8.310 nan 0.000 0.542 150 F N 1.723 121.091 119.950 -0.970 0.000 2.347 150 F HA 0.396 4.923 4.527 -0.001 0.000 0.366 150 F C -1.767 173.949 175.800 -0.140 0.000 1.107 150 F CA -2.159 55.621 58.000 -0.368 0.000 1.058 150 F CB 1.734 40.593 39.000 -0.235 0.000 1.236 150 F HN 0.418 nan 8.300 nan 0.000 0.456 151 P HA -0.182 nan 4.420 nan 0.000 0.216 151 P C 1.527 178.898 177.300 0.119 0.000 1.150 151 P CA 1.297 64.442 63.100 0.075 0.000 0.837 151 P CB 0.244 31.967 31.700 0.038 0.000 0.786 152 L N -1.314 120.020 121.223 0.185 0.000 2.313 152 L HA 0.013 4.353 4.340 -0.001 0.000 0.214 152 L C 2.421 179.399 176.870 0.181 0.000 1.119 152 L CA 1.269 56.212 54.840 0.172 0.000 0.809 152 L CB -1.502 40.683 42.059 0.210 0.000 0.933 152 L HN -0.106 nan 8.230 nan 0.000 0.449 153 A N -0.495 122.451 122.820 0.210 0.000 1.930 153 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 153 A C 2.015 179.619 177.584 0.034 0.000 1.175 153 A CA 1.760 53.769 52.037 -0.046 0.000 0.627 153 A CB -0.480 18.315 19.000 -0.342 0.000 0.815 153 A HN 0.343 nan 8.150 nan 0.000 0.443 154 D N -0.104 120.381 120.400 0.141 0.000 2.144 154 D HA -0.109 4.531 4.640 -0.001 0.000 0.199 154 D C 1.788 178.115 176.300 0.046 0.000 0.984 154 D CA 0.963 55.029 54.000 0.110 0.000 0.834 154 D CB -0.117 40.764 40.800 0.135 0.000 0.955 154 D HN 0.241 nan 8.370 nan 0.000 0.465 155 K N 0.501 120.912 120.400 0.018 0.000 2.148 155 K HA -0.001 4.319 4.320 -0.001 0.000 0.204 155 K C 2.355 178.904 176.600 -0.084 0.000 1.050 155 K CA 0.149 56.413 56.287 -0.037 0.000 0.942 155 K CB -0.355 32.087 32.500 -0.097 0.000 0.724 155 K HN 0.267 nan 8.250 nan 0.000 0.446 156 L N 0.632 121.778 121.223 -0.127 0.000 2.017 156 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 156 L C 2.446 179.416 176.870 0.168 0.000 1.073 156 L CA 1.121 55.831 54.840 -0.217 0.000 0.745 156 L CB -0.582 41.119 42.059 -0.596 0.000 0.894 156 L HN 0.098 nan 8.230 nan 0.000 0.432 157 L N -0.376 120.901 121.223 0.090 0.000 2.046 157 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 157 L C 2.647 179.569 176.870 0.087 0.000 1.077 157 L CA 1.466 56.372 54.840 0.109 0.000 0.747 157 L CB -0.589 41.489 42.059 0.031 0.000 0.896 157 L HN 0.374 nan 8.230 nan 0.000 0.432 158 E N 0.349 120.596 120.200 0.079 0.000 2.077 158 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 158 E C 2.230 178.912 176.600 0.137 0.000 0.989 158 E CA 1.322 57.782 56.400 0.101 0.000 0.800 158 E CB 0.149 29.911 29.700 0.103 0.000 0.746 158 E HN 0.256 nan 8.360 nan 0.000 0.452 159 V N 1.376 121.350 119.914 0.101 0.000 2.295 159 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 159 V C 2.519 178.614 176.094 0.000 0.000 1.049 159 V CA 1.909 64.223 62.300 0.024 0.000 1.024 159 V CB -0.784 31.108 31.823 0.115 0.000 0.648 159 V HN 0.457 nan 8.190 nan 0.000 0.447 160 A N -0.161 122.579 122.820 -0.133 0.000 1.930 160 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 160 A C 2.017 179.362 177.584 -0.398 0.000 1.175 160 A CA 2.137 53.662 52.037 -0.853 0.000 0.627 160 A CB -0.619 18.014 19.000 -0.612 0.000 0.815 160 A HN 0.647 nan 8.150 nan 0.000 0.443 161 D N -2.227 118.110 120.400 -0.105 0.000 2.103 161 D HA -0.184 4.455 4.640 -0.001 0.000 0.199 161 D C 1.757 178.094 176.300 0.060 0.000 0.978 161 D CA 1.343 55.336 54.000 -0.013 0.000 0.829 161 D CB -0.229 40.593 40.800 0.037 0.000 0.981 161 D HN 0.466 nan 8.370 nan 0.000 0.464 162 Y N -0.616 119.692 120.300 0.012 0.000 2.163 162 Y HA -0.186 4.364 4.550 -0.001 0.000 0.288 162 Y C 1.559 177.587 175.900 0.213 0.000 1.136 162 Y CA 1.500 59.651 58.100 0.085 0.000 1.147 162 Y CB -0.255 38.268 38.460 0.105 0.000 0.987 162 Y HN 0.075 nan 8.280 nan 0.000 0.509 163 Y N -0.063 120.383 120.300 0.244 0.000 2.457 163 Y HA 0.209 4.758 4.550 -0.001 0.000 0.292 163 Y C 1.919 177.870 175.900 0.084 0.000 1.125 163 Y CA 0.412 58.631 58.100 0.199 0.000 1.254 163 Y CB -0.598 38.120 38.460 0.430 0.000 1.012 163 Y HN 0.237 nan 8.280 nan 0.000 0.555 164 G N 0.425 109.324 108.800 0.166 0.000 2.255 164 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.239 164 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.239 164 G C -0.207 174.830 174.900 0.227 0.000 1.083 164 G CA 0.154 45.319 45.100 0.108 0.000 0.826 164 G HN 0.342 nan 8.290 nan 0.000 0.493 165 F N -2.250 117.746 119.950 0.077 0.000 2.746 165 F HA 0.845 5.371 4.527 -0.001 0.000 0.378 165 F C 0.248 176.081 175.800 0.055 0.000 1.165 165 F CA -1.387 56.643 58.000 0.050 0.000 1.089 165 F CB 0.758 39.695 39.000 -0.106 0.000 1.439 165 F HN -0.113 nan 8.300 nan 0.000 0.516 166 D N -0.257 120.279 120.400 0.227 0.000 2.538 166 D HA 0.442 5.081 4.640 -0.001 0.000 0.231 166 D C 0.537 176.925 176.300 0.147 0.000 1.229 166 D CA 0.581 54.667 54.000 0.142 0.000 0.828 166 D CB 0.863 41.779 40.800 0.195 0.000 1.035 166 D HN 1.020 nan 8.370 nan 0.000 0.495 167 G N 0.573 109.412 108.800 0.066 0.000 2.280 167 G HA2 0.012 3.972 3.960 -0.001 0.000 0.277 167 G HA3 0.012 3.972 3.960 -0.001 0.000 0.277 167 G C -2.030 172.855 174.900 -0.024 0.000 1.288 167 G CA -1.085 44.111 45.100 0.160 0.000 1.075 167 G HN 0.111 nan 8.290 nan 0.000 0.480 168 W N -1.073 120.453 121.300 0.378 0.000 3.127 168 W HA 0.661 5.321 4.660 -0.001 0.000 0.330 168 W C -0.879 175.888 176.519 0.412 0.000 1.187 168 W CA -0.803 56.775 57.345 0.389 0.000 1.198 168 W CB 1.861 31.524 29.460 0.338 0.000 1.408 168 W HN 0.537 nan 8.180 nan 0.000 0.529 169 F N 4.726 124.976 119.950 0.500 0.000 2.420 169 F HA 0.633 5.159 4.527 -0.001 0.000 0.342 169 F C -0.434 175.605 175.800 0.398 0.000 1.113 169 F CA -0.797 57.443 58.000 0.401 0.000 1.059 169 F CB 0.551 39.739 39.000 0.313 0.000 1.128 169 F HN 0.006 nan 8.300 nan 0.000 0.475 170 I N 5.340 125.847 120.570 -0.105 0.000 2.355 170 I HA 0.214 4.383 4.170 -0.001 0.000 0.288 170 I C -0.833 175.112 176.117 -0.286 0.000 0.999 170 I CA -0.563 60.756 61.300 0.032 0.000 1.163 170 I CB 1.121 39.312 38.000 0.318 0.000 1.316 170 I HN 0.620 nan 8.210 nan 0.000 0.454 171 N N 5.372 124.077 118.700 0.007 0.000 2.626 171 N HA 0.141 4.881 4.740 -0.001 0.000 0.249 171 N C -0.569 175.020 175.510 0.131 0.000 1.021 171 N CA -0.343 52.776 53.050 0.114 0.000 0.886 171 N CB 0.895 39.697 38.487 0.525 0.000 1.149 171 N HN 0.366 nan 8.380 nan 0.000 0.517 172 Q N 2.446 122.209 119.800 -0.062 0.000 2.465 172 Q HA 0.200 4.539 4.340 -0.001 0.000 0.237 172 Q C -0.622 175.356 176.000 -0.037 0.000 1.051 172 Q CA 0.134 55.947 55.803 0.016 0.000 0.874 172 Q CB 0.758 29.439 28.738 -0.096 0.000 1.207 172 Q HN 0.714 nan 8.270 nan 0.000 0.508 173 E N 1.190 121.424 120.200 0.056 0.000 2.660 173 E HA 0.135 4.485 4.350 -0.001 0.000 0.216 173 E C -0.502 176.129 176.600 0.050 0.000 0.986 173 E CA -0.027 56.419 56.400 0.078 0.000 1.037 173 E CB 0.973 30.828 29.700 0.260 0.000 1.041 173 E HN 0.375 nan 8.360 nan 0.000 0.480 174 T N 2.309 116.876 114.554 0.022 0.000 2.779 174 T HA 0.124 4.473 4.350 -0.001 0.000 0.296 174 T C 0.077 174.750 174.700 -0.046 0.000 0.938 174 T CA -0.122 61.982 62.100 0.007 0.000 1.119 174 T CB 0.728 69.604 68.868 0.012 0.000 0.891 174 T HN 0.018 nan 8.240 nan 0.000 0.526 175 E N 1.218 121.397 120.200 -0.034 0.000 2.392 175 E HA 0.491 4.840 4.350 -0.001 0.000 0.256 175 E C 1.393 177.958 176.600 -0.058 0.000 1.145 175 E CA 0.355 56.725 56.400 -0.051 0.000 0.929 175 E CB 0.243 29.925 29.700 -0.030 0.000 0.998 175 E HN 0.803 nan 8.360 nan 0.000 0.442 176 G N -0.502 108.264 108.800 -0.056 0.000 2.163 176 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.213 176 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.213 176 G C 0.176 175.043 174.900 -0.055 0.000 0.991 176 G CA -0.215 44.853 45.100 -0.053 0.000 0.653 176 G HN 0.747 nan 8.290 nan 0.000 0.518 177 A N 0.709 123.492 122.820 -0.061 0.000 2.328 177 A HA 0.631 4.951 4.320 -0.001 0.000 0.284 177 A C 0.511 178.072 177.584 -0.037 0.000 1.160 177 A CA 0.470 52.473 52.037 -0.057 0.000 0.818 177 A CB 0.404 19.362 19.000 -0.069 0.000 1.087 177 A HN 0.734 nan 8.150 nan 0.000 0.504 178 D N 0.848 121.231 120.400 -0.029 0.000 2.506 178 D HA 0.140 4.780 4.640 -0.001 0.000 0.272 178 D C 0.815 177.110 176.300 -0.008 0.000 1.214 178 D CA -0.283 53.706 54.000 -0.018 0.000 1.067 178 D CB 0.271 41.061 40.800 -0.017 0.000 1.117 178 D HN 0.571 nan 8.370 nan 0.000 0.578 179 E N -1.006 119.191 120.200 -0.005 0.000 2.204 179 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 179 E C 1.982 178.581 176.600 -0.001 0.000 0.989 179 E CA 1.079 57.479 56.400 -0.000 0.000 0.824 179 E CB -0.541 29.156 29.700 -0.005 0.000 0.756 179 E HN 0.624 nan 8.360 nan 0.000 0.477 180 G N -0.244 108.554 108.800 -0.003 0.000 2.402 180 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 180 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 180 G C 1.594 176.500 174.900 0.010 0.000 1.162 180 G CA 1.170 46.271 45.100 0.001 0.000 0.777 180 G HN 0.248 nan 8.290 nan 0.000 0.539 181 T N 1.782 116.338 114.554 0.002 0.000 2.746 181 T HA -0.007 4.343 4.350 -0.001 0.000 0.267 181 T C 2.824 177.534 174.700 0.018 0.000 1.039 181 T CA 1.510 63.609 62.100 -0.002 0.000 1.142 181 T CB -0.396 68.454 68.868 -0.031 0.000 0.866 181 T HN 0.369 nan 8.240 nan 0.000 0.444 182 A N 1.821 124.663 122.820 0.036 0.000 1.865 182 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 182 A C 2.207 179.811 177.584 0.033 0.000 1.191 182 A CA 1.895 53.988 52.037 0.093 0.000 0.623 182 A CB -0.693 18.373 19.000 0.110 0.000 0.826 182 A HN 0.591 nan 8.150 nan 0.000 0.444 183 E N -0.407 119.789 120.200 -0.007 0.000 2.118 183 E HA -0.123 4.226 4.350 -0.001 0.000 0.195 183 E C 2.278 178.887 176.600 0.014 0.000 0.992 183 E CA 0.945 57.325 56.400 -0.033 0.000 0.804 183 E CB -0.293 29.394 29.700 -0.021 0.000 0.741 183 E HN 0.640 nan 8.360 nan 0.000 0.458 184 A N 1.021 123.875 122.820 0.058 0.000 1.898 184 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 184 A C 2.127 179.769 177.584 0.096 0.000 1.181 184 A CA 1.456 53.578 52.037 0.142 0.000 0.620 184 A CB -0.414 18.679 19.000 0.155 0.000 0.819 184 A HN 0.201 nan 8.150 nan 0.000 0.442 185 M N 0.014 119.636 119.600 0.035 0.000 2.080 185 M HA -0.240 4.240 4.480 -0.001 0.000 0.260 185 M C 2.111 178.415 176.300 0.008 0.000 1.068 185 M CA 2.129 57.436 55.300 0.012 0.000 1.109 185 M CB -0.590 32.053 32.600 0.071 0.000 1.342 185 M HN 0.529 nan 8.290 nan 0.000 0.405 186 Q N -0.576 119.187 119.800 -0.061 0.000 2.084 186 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 186 Q C 2.155 178.112 176.000 -0.072 0.000 0.978 186 Q CA 1.832 57.534 55.803 -0.169 0.000 0.844 186 Q CB -0.488 28.063 28.738 -0.311 0.000 0.898 186 Q HN 0.717 nan 8.270 nan 0.000 0.426 187 A N 0.482 123.302 122.820 -0.001 0.000 1.902 187 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 187 A C 1.881 179.415 177.584 -0.084 0.000 1.181 187 A CA 1.151 53.237 52.037 0.081 0.000 0.623 187 A CB -0.819 18.352 19.000 0.285 0.000 0.818 187 A HN 0.477 nan 8.150 nan 0.000 0.443 188 F N 0.658 120.259 119.950 -0.582 0.000 2.102 188 F HA -0.174 4.353 4.527 -0.001 0.000 0.298 188 F C 1.912 177.520 175.800 -0.321 0.000 1.105 188 F CA 1.925 59.344 58.000 -0.967 0.000 1.239 188 F CB -0.204 38.310 39.000 -0.810 0.000 0.991 188 F HN 0.151 nan 8.300 nan 0.000 0.474 189 L N -0.508 120.774 121.223 0.098 0.000 2.046 189 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 189 L C 2.340 179.193 176.870 -0.027 0.000 1.077 189 L CA 0.927 55.811 54.840 0.074 0.000 0.747 189 L CB -0.930 41.167 42.059 0.063 0.000 0.896 189 L HN 0.049 nan 8.230 nan 0.000 0.432 190 V N -0.998 118.897 119.914 -0.030 0.000 2.343 190 V HA -0.322 3.798 4.120 -0.001 0.000 0.247 190 V C 2.258 178.354 176.094 0.003 0.000 1.051 190 V CA 1.792 64.085 62.300 -0.012 0.000 1.036 190 V CB -0.650 31.178 31.823 0.008 0.000 0.654 190 V HN 0.410 nan 8.190 nan 0.000 0.451 191 Y N 0.109 120.339 120.300 -0.117 0.000 2.181 191 Y HA -0.227 4.322 4.550 -0.001 0.000 0.288 191 Y C 2.208 178.021 175.900 -0.145 0.000 1.146 191 Y CA 1.393 59.439 58.100 -0.091 0.000 1.164 191 Y CB -0.262 38.180 38.460 -0.030 0.000 0.982 191 Y HN 0.116 nan 8.280 nan 0.000 0.515 192 L N 0.586 121.650 121.223 -0.264 0.000 1.990 192 L HA -0.293 4.047 4.340 -0.001 0.000 0.213 192 L C 2.433 179.194 176.870 -0.180 0.000 1.072 192 L CA 1.830 56.514 54.840 -0.259 0.000 0.755 192 L CB -1.464 40.505 42.059 -0.151 0.000 0.889 192 L HN 0.332 nan 8.230 nan 0.000 0.432 193 Q N -0.401 119.333 119.800 -0.110 0.000 2.096 193 Q HA -0.214 4.126 4.340 -0.001 0.000 0.204 193 Q C 2.121 178.062 176.000 -0.097 0.000 0.982 193 Q CA 1.561 57.321 55.803 -0.071 0.000 0.850 193 Q CB -0.219 28.495 28.738 -0.039 0.000 0.901 193 Q HN 0.637 nan 8.270 nan 0.000 0.422 194 E N 0.097 120.215 120.200 -0.137 0.000 2.106 194 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 194 E C 1.982 178.470 176.600 -0.187 0.000 0.984 194 E CA 0.708 57.027 56.400 -0.136 0.000 0.806 194 E CB 0.131 29.765 29.700 -0.110 0.000 0.750 194 E HN 0.307 nan 8.360 nan 0.000 0.458 195 Q N 1.026 120.637 119.800 -0.315 0.000 2.376 195 Q HA 0.015 4.355 4.340 -0.001 0.000 0.206 195 Q C 0.577 176.475 176.000 -0.171 0.000 0.921 195 Q CA 0.362 55.980 55.803 -0.308 0.000 0.911 195 Q CB -0.005 28.393 28.738 -0.566 0.000 1.032 195 Q HN 0.283 nan 8.270 nan 0.000 0.510 196 K N 2.055 122.377 120.400 -0.130 0.000 2.380 196 K HA 0.243 4.563 4.320 -0.001 0.000 0.267 196 K C -2.364 174.219 176.600 -0.030 0.000 0.990 196 K CA -1.260 54.996 56.287 -0.051 0.000 0.946 196 K CB -0.234 32.261 32.500 -0.008 0.000 0.937 196 K HN -0.238 nan 8.250 nan 0.000 0.491 197 P HA -0.016 nan 4.420 nan 0.000 0.272 197 P C -0.814 176.492 177.300 0.011 0.000 1.223 197 P CA -0.372 62.727 63.100 -0.001 0.000 0.784 197 P CB 0.559 32.261 31.700 0.003 0.000 0.923 198 E N 0.712 120.919 120.200 0.012 0.000 2.452 198 E HA 0.168 4.517 4.350 -0.001 0.000 0.261 198 E C 1.044 177.664 176.600 0.034 0.000 0.987 198 E CA 0.966 57.379 56.400 0.022 0.000 0.926 198 E CB -0.391 29.320 29.700 0.019 0.000 0.934 198 E HN 0.741 nan 8.360 nan 0.000 0.452 199 G N 3.796 112.628 108.800 0.052 0.000 2.284 199 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.230 199 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.230 199 G C 0.394 175.359 174.900 0.108 0.000 1.021 199 G CA 0.218 45.361 45.100 0.073 0.000 0.619 199 G HN 0.623 nan 8.290 nan 0.000 0.510 200 M N 1.304 120.960 119.600 0.094 0.000 2.249 200 M HA 0.533 5.013 4.480 -0.001 0.000 0.340 200 M C 0.027 176.438 176.300 0.185 0.000 1.166 200 M CA 0.135 55.514 55.300 0.131 0.000 1.115 200 M CB 0.361 33.019 32.600 0.098 0.000 1.606 200 M HN 0.401 nan 8.290 nan 0.000 0.448 201 H N 4.663 123.821 119.070 0.146 0.000 2.658 201 H HA 0.480 5.036 4.556 -0.001 0.000 0.337 201 H C -1.531 173.940 175.328 0.239 0.000 1.009 201 H CA -0.824 55.331 56.048 0.178 0.000 1.231 201 H CB 0.919 30.783 29.762 0.171 0.000 1.508 201 H HN 0.574 nan 8.280 nan 0.000 0.517 202 I N 6.116 126.776 120.570 0.149 0.000 2.355 202 I HA 0.221 4.391 4.170 -0.001 0.000 0.288 202 I C -0.264 176.025 176.117 0.287 0.000 0.999 202 I CA -0.514 60.962 61.300 0.293 0.000 1.163 202 I CB 0.951 39.093 38.000 0.238 0.000 1.316 202 I HN 0.705 nan 8.210 nan 0.000 0.454 203 M N 7.187 127.051 119.600 0.440 0.000 2.227 203 M HA 0.370 4.849 4.480 -0.001 0.000 0.335 203 M C -1.473 174.957 176.300 0.218 0.000 1.053 203 M CA -0.428 55.128 55.300 0.427 0.000 0.973 203 M CB 2.128 35.072 32.600 0.573 0.000 1.623 203 M HN 0.705 nan 8.290 nan 0.000 0.434 204 W N 6.208 127.545 121.300 0.062 0.000 2.433 204 W HA 0.289 4.948 4.660 -0.001 0.000 0.315 204 W C -1.950 174.566 176.519 -0.006 0.000 1.087 204 W CA -0.708 56.612 57.345 -0.040 0.000 1.205 204 W CB 0.849 30.348 29.460 0.066 0.000 1.288 204 W HN 0.722 nan 8.180 nan 0.000 0.504 205 Y N 5.526 125.232 120.300 -0.990 0.000 2.319 205 Y HA 0.112 4.662 4.550 -0.001 0.000 0.328 205 Y C 0.110 175.616 175.900 -0.658 0.000 1.133 205 Y CA -0.303 57.453 58.100 -0.574 0.000 1.265 205 Y CB 0.539 38.755 38.460 -0.405 0.000 1.218 205 Y HN 0.455 nan 8.280 nan 0.000 0.508 206 D N 3.306 123.440 120.400 -0.443 0.000 2.359 206 D HA 0.191 4.830 4.640 -0.001 0.000 0.250 206 D C -0.066 175.730 176.300 -0.840 0.000 1.264 206 D CA 0.688 54.448 54.000 -0.399 0.000 0.911 206 D CB 0.326 41.071 40.800 -0.092 0.000 1.056 206 D HN 0.599 nan 8.370 nan 0.000 0.499 207 S N 3.412 118.668 115.700 -0.740 0.000 4.948 207 S HA 0.106 4.576 4.470 -0.001 0.000 0.154 207 S C 0.647 174.903 174.600 -0.572 0.000 1.026 207 S CA -0.623 57.082 58.200 -0.824 0.000 1.308 207 S CB -0.522 62.213 63.200 -0.775 0.000 1.915 207 S HN 0.416 nan 8.310 nan 0.000 0.680 208 M N 3.762 123.127 119.600 -0.392 0.000 2.268 208 M HA 0.376 4.856 4.480 -0.001 0.000 0.349 208 M C -0.063 176.150 176.300 -0.144 0.000 1.485 208 M CA -0.496 54.673 55.300 -0.218 0.000 1.094 208 M CB 0.179 32.730 32.600 -0.082 0.000 1.843 208 M HN 0.602 nan 8.290 nan 0.000 0.460 209 I N 1.808 122.354 120.570 -0.039 0.000 3.562 209 I HA 0.322 4.491 4.170 -0.001 0.000 0.285 209 I C 0.828 177.113 176.117 0.280 0.000 1.211 209 I CA -0.839 60.538 61.300 0.129 0.000 0.887 209 I CB 0.333 38.363 38.000 0.051 0.000 1.581 209 I HN 0.688 nan 8.210 nan 0.000 0.735 210 D N -0.119 120.415 120.400 0.224 0.000 2.182 210 D HA -0.234 4.405 4.640 -0.001 0.000 0.201 210 D C 1.787 178.129 176.300 0.069 0.000 0.986 210 D CA 2.075 56.143 54.000 0.114 0.000 0.847 210 D CB -1.206 39.605 40.800 0.018 0.000 0.942 210 D HN 0.841 nan 8.370 nan 0.000 0.467 211 T N -4.609 109.977 114.554 0.053 0.000 3.113 211 T HA 0.345 4.695 4.350 -0.001 0.000 0.256 211 T C 1.832 176.544 174.700 0.021 0.000 1.131 211 T CA 0.750 62.864 62.100 0.023 0.000 1.074 211 T CB -0.060 68.813 68.868 0.008 0.000 0.944 211 T HN 0.463 nan 8.240 nan 0.000 0.516 212 G N 1.174 109.999 108.800 0.042 0.000 2.241 212 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.244 212 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.244 212 G C 0.419 175.297 174.900 -0.037 0.000 0.998 212 G CA -0.096 45.013 45.100 0.015 0.000 0.621 212 G HN 1.196 nan 8.290 nan 0.000 0.519 213 A N 0.026 122.818 122.820 -0.046 0.000 2.466 213 A HA 0.619 4.939 4.320 -0.001 0.000 0.238 213 A C 0.476 177.956 177.584 -0.174 0.000 1.074 213 A CA 0.380 52.364 52.037 -0.089 0.000 0.774 213 A CB 0.197 19.157 19.000 -0.066 0.000 1.015 213 A HN 0.855 nan 8.150 nan 0.000 0.498 214 I N 1.235 121.652 120.570 -0.255 0.000 2.312 214 I HA 0.434 4.604 4.170 -0.001 0.000 0.291 214 I C 0.612 176.358 176.117 -0.618 0.000 1.031 214 I CA 0.635 61.627 61.300 -0.514 0.000 1.293 214 I CB 1.288 38.959 38.000 -0.548 0.000 1.403 214 I HN 0.650 nan 8.210 nan 0.000 0.484 215 A N 7.566 129.999 122.820 -0.645 0.000 3.399 215 A HA 0.245 4.564 4.320 -0.001 0.000 0.262 215 A C -0.760 176.727 177.584 -0.162 0.000 1.145 215 A CA -0.624 51.236 52.037 -0.296 0.000 0.916 215 A CB 0.136 19.079 19.000 -0.094 0.000 1.360 215 A HN 0.634 nan 8.150 nan 0.000 0.628 216 W N 1.641 122.947 121.300 0.011 0.000 2.551 216 W HA -0.065 4.595 4.660 -0.001 0.000 0.336 216 W C 0.494 177.033 176.519 0.033 0.000 1.158 216 W CA 0.275 57.585 57.345 -0.059 0.000 1.258 216 W CB 0.116 29.533 29.460 -0.071 0.000 1.157 216 W HN 0.637 nan 8.180 nan 0.000 0.562 217 Q N 1.888 121.791 119.800 0.173 0.000 2.339 217 Q HA -0.095 4.244 4.340 -0.001 0.000 0.205 217 Q C 1.072 177.194 176.000 0.202 0.000 0.925 217 Q CA 0.634 56.551 55.803 0.191 0.000 0.898 217 Q CB -0.016 28.811 28.738 0.148 0.000 1.013 217 Q HN 0.564 nan 8.270 nan 0.000 0.504 218 N N -0.030 118.711 118.700 0.068 0.000 2.909 218 N HA -0.188 4.552 4.740 -0.001 0.000 0.242 218 N C -0.574 174.679 175.510 -0.430 0.000 0.975 218 N CA 1.317 54.304 53.050 -0.105 0.000 0.921 218 N CB -1.125 37.356 38.487 -0.010 0.000 1.112 218 N HN 0.461 nan 8.380 nan 0.000 0.581 219 H N -1.403 117.689 119.070 0.037 0.000 2.981 219 H HA 0.503 5.058 4.556 -0.001 0.000 0.327 219 H C -0.826 174.502 175.328 -0.000 0.000 1.342 219 H CA -0.826 55.209 56.048 -0.021 0.000 1.123 219 H CB 0.846 30.608 29.762 -0.001 0.000 1.851 219 H HN -0.010 nan 8.280 nan 0.000 0.531 220 L N 2.402 123.697 121.223 0.119 0.000 2.361 220 L HA 0.396 4.735 4.340 -0.001 0.000 0.278 220 L C 0.031 176.949 176.870 0.080 0.000 1.113 220 L CA 0.452 55.345 54.840 0.089 0.000 0.849 220 L CB -0.252 41.835 42.059 0.047 0.000 1.155 220 L HN 0.863 nan 8.230 nan 0.000 0.452 221 T N -0.431 114.174 114.554 0.085 0.000 2.742 221 T HA 0.391 4.740 4.350 -0.001 0.000 0.282 221 T C 0.556 175.284 174.700 0.048 0.000 1.025 221 T CA -0.636 61.498 62.100 0.058 0.000 1.020 221 T CB 0.893 69.804 68.868 0.072 0.000 1.317 221 T HN 0.420 nan 8.240 nan 0.000 0.538 222 D N -0.201 120.217 120.400 0.030 0.000 2.264 222 D HA -0.009 4.631 4.640 -0.001 0.000 0.208 222 D C 1.971 178.291 176.300 0.034 0.000 0.966 222 D CA 0.576 54.588 54.000 0.021 0.000 0.864 222 D CB 0.025 40.830 40.800 0.009 0.000 0.933 222 D HN 0.295 nan 8.370 nan 0.000 0.499 223 R N 0.763 121.297 120.500 0.056 0.000 2.193 223 R HA -0.007 4.333 4.340 -0.001 0.000 0.213 223 R C 1.092 177.473 176.300 0.135 0.000 1.055 223 R CA 0.709 56.854 56.100 0.076 0.000 0.995 223 R CB -0.314 30.029 30.300 0.071 0.000 0.893 223 R HN 0.371 nan 8.270 nan 0.000 0.459 224 N N -0.600 118.192 118.700 0.153 0.000 2.118 224 N HA -0.057 4.683 4.740 -0.001 0.000 0.226 224 N C 1.000 176.650 175.510 0.234 0.000 1.305 224 N CA 0.015 53.230 53.050 0.275 0.000 0.890 224 N CB -0.087 38.546 38.487 0.243 0.000 1.118 224 N HN 0.132 nan 8.380 nan 0.000 0.511 225 K N 1.007 121.469 120.400 0.103 0.000 2.280 225 K HA -0.060 4.260 4.320 -0.001 0.000 0.202 225 K C 1.598 178.181 176.600 -0.029 0.000 1.047 225 K CA 1.249 57.565 56.287 0.048 0.000 0.942 225 K CB -0.348 32.163 32.500 0.019 0.000 0.739 225 K HN 0.203 nan 8.250 nan 0.000 0.457 226 M N -0.467 119.062 119.600 -0.119 0.000 2.630 226 M HA -0.028 4.452 4.480 -0.001 0.000 0.254 226 M C 0.358 176.384 176.300 -0.457 0.000 1.092 226 M CA 1.319 56.448 55.300 -0.285 0.000 1.087 226 M CB -0.957 31.428 32.600 -0.357 0.000 1.453 226 M HN 0.078 nan 8.290 nan 0.000 0.509 227 Y N 0.066 120.217 120.300 -0.247 0.000 2.500 227 Y HA 0.171 4.720 4.550 -0.001 0.000 0.270 227 Y C 2.054 177.765 175.900 -0.315 0.000 1.134 227 Y CA 0.303 58.108 58.100 -0.492 0.000 1.293 227 Y CB 0.013 37.879 38.460 -0.990 0.000 1.063 227 Y HN 0.279 nan 8.280 nan 0.000 0.534 228 L N -0.652 120.560 121.223 -0.018 0.000 2.347 228 L HA 0.250 4.589 4.340 -0.001 0.000 0.196 228 L C -0.016 176.853 176.870 -0.002 0.000 1.072 228 L CA 1.035 55.897 54.840 0.037 0.000 0.817 228 L CB 0.344 42.458 42.059 0.091 0.000 1.029 228 L HN 0.079 nan 8.230 nan 0.000 0.478 229 Q N -0.244 119.541 119.800 -0.027 0.000 2.320 229 Q HA 0.384 4.723 4.340 -0.001 0.000 0.272 229 Q C -1.717 174.250 176.000 -0.055 0.000 1.023 229 Q CA -0.351 55.434 55.803 -0.031 0.000 0.855 229 Q CB 1.266 30.000 28.738 -0.006 0.000 1.367 229 Q HN 0.136 nan 8.270 nan 0.000 0.406 230 N N 2.406 121.071 118.700 -0.059 0.000 2.576 230 N HA 0.505 5.245 4.740 -0.001 0.000 0.269 230 N C 0.223 175.707 175.510 -0.044 0.000 1.058 230 N CA 1.051 54.061 53.050 -0.066 0.000 0.860 230 N CB 1.182 39.612 38.487 -0.095 0.000 1.249 230 N HN 0.894 nan 8.380 nan 0.000 0.525 231 G N 2.769 111.548 108.800 -0.034 0.000 2.634 231 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.318 231 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.318 231 G C 0.852 175.742 174.900 -0.017 0.000 1.207 231 G CA 1.088 46.174 45.100 -0.024 0.000 0.987 231 G HN 1.060 nan 8.290 nan 0.000 0.547 232 S N -0.763 114.929 115.700 -0.014 0.000 2.556 232 S HA 0.410 4.879 4.470 -0.001 0.000 0.216 232 S C 0.870 175.465 174.600 -0.009 0.000 0.970 232 S CA 1.282 59.477 58.200 -0.008 0.000 0.912 232 S CB 0.282 63.479 63.200 -0.005 0.000 0.790 232 S HN 0.875 nan 8.310 nan 0.000 0.504 233 T N 3.219 117.763 114.554 -0.017 0.000 2.817 233 T HA 0.320 4.669 4.350 -0.001 0.000 0.293 233 T C -0.202 174.485 174.700 -0.022 0.000 0.964 233 T CA -0.470 61.619 62.100 -0.019 0.000 1.085 233 T CB 0.908 69.762 68.868 -0.025 0.000 0.921 233 T HN 0.366 nan 8.240 nan 0.000 0.502 234 R N 3.257 123.748 120.500 -0.015 0.000 2.265 234 R HA 0.369 4.708 4.340 -0.001 0.000 0.314 234 R C 0.326 176.612 176.300 -0.023 0.000 1.053 234 R CA -0.289 55.804 56.100 -0.013 0.000 0.931 234 R CB 0.399 30.698 30.300 -0.002 0.000 1.024 234 R HN 0.482 nan 8.270 nan 0.000 0.457 235 V N 3.223 123.118 119.914 -0.031 0.000 2.788 235 V HA 0.305 4.425 4.120 -0.001 0.000 0.241 235 V C 0.479 176.565 176.094 -0.014 0.000 1.083 235 V CA 1.133 63.403 62.300 -0.050 0.000 1.103 235 V CB 0.312 32.069 31.823 -0.110 0.000 0.800 235 V HN 0.864 nan 8.190 nan 0.000 0.476 236 A N -0.806 122.024 122.820 0.016 0.000 2.587 236 A HA 0.507 4.827 4.320 -0.001 0.000 0.293 236 A C -0.062 177.547 177.584 0.041 0.000 1.087 236 A CA -0.295 51.779 52.037 0.061 0.000 0.692 236 A CB 1.071 20.158 19.000 0.145 0.000 1.291 236 A HN 0.099 nan 8.150 nan 0.000 0.407 237 D N 0.354 120.733 120.400 -0.034 0.000 2.234 237 D HA 0.061 4.700 4.640 -0.001 0.000 0.205 237 D C 0.669 176.999 176.300 0.051 0.000 0.962 237 D CA 2.002 55.910 54.000 -0.153 0.000 0.855 237 D CB 0.237 40.646 40.800 -0.651 0.000 0.951 237 D HN 0.722 nan 8.370 nan 0.000 0.500 238 S N -1.014 114.818 115.700 0.219 0.000 2.611 238 S HA 0.527 4.997 4.470 -0.001 0.000 0.268 238 S C -1.005 173.873 174.600 0.463 0.000 1.156 238 S CA -1.048 57.422 58.200 0.449 0.000 0.817 238 S CB 2.560 66.223 63.200 0.772 0.000 1.122 238 S HN 0.019 nan 8.310 nan 0.000 0.466 239 M N 1.900 121.800 119.600 0.501 0.000 2.327 239 M HA 0.603 5.082 4.480 -0.001 0.000 0.298 239 M C -2.161 174.454 176.300 0.525 0.000 1.065 239 M CA -0.768 54.821 55.300 0.482 0.000 0.916 239 M CB 1.649 34.480 32.600 0.385 0.000 1.630 239 M HN 0.819 nan 8.290 nan 0.000 0.442 240 F N 6.100 126.281 119.950 0.385 0.000 2.375 240 F HA 0.401 4.928 4.527 -0.000 0.000 0.362 240 F C -1.125 174.836 175.800 0.269 0.000 1.129 240 F CA -0.757 57.481 58.000 0.397 0.000 1.154 240 F CB 0.530 39.852 39.000 0.538 0.000 1.205 240 F HN 0.401 nan 8.300 nan 0.000 0.513 241 L N 5.588 126.782 121.223 -0.049 0.000 2.410 241 L HA 0.109 4.449 4.340 -0.001 0.000 0.273 241 L C 0.436 177.196 176.870 -0.184 0.000 1.152 241 L CA -0.033 54.746 54.840 -0.101 0.000 0.855 241 L CB -0.193 41.739 42.059 -0.212 0.000 1.129 241 L HN 0.633 nan 8.230 nan 0.000 0.463 242 N N 1.568 120.169 118.700 -0.165 0.000 2.307 242 N HA -0.026 4.713 4.740 -0.001 0.000 0.230 242 N C 0.802 175.987 175.510 -0.542 0.000 1.297 242 N CA 0.412 53.154 53.050 -0.513 0.000 0.884 242 N CB 0.328 38.529 38.487 -0.477 0.000 1.115 242 N HN 0.379 nan 8.380 nan 0.000 0.436 243 F N -0.803 118.810 119.950 -0.562 0.000 2.558 243 F HA 0.121 4.648 4.527 -0.001 0.000 0.298 243 F C 0.575 176.030 175.800 -0.575 0.000 1.119 243 F CA -0.097 57.577 58.000 -0.543 0.000 1.451 243 F CB 0.072 38.714 39.000 -0.596 0.000 1.091 243 F HN 0.340 nan 8.300 nan 0.000 0.563 244 W N 2.901 124.201 121.300 0.000 0.000 1.611 244 W HA 0.166 4.825 4.660 -0.001 0.000 0.395 244 W C -0.331 176.168 176.519 -0.034 0.000 0.698 244 W CA -1.402 55.896 57.345 -0.077 0.000 1.845 244 W CB -1.303 28.150 29.460 -0.011 0.000 1.818 244 W HN 0.147 nan 8.180 nan 0.000 0.270 245 W N 1.105 122.416 121.300 0.019 0.000 2.864 245 W HA 0.516 5.175 4.660 -0.001 0.000 0.343 245 W C 0.158 176.685 176.519 0.013 0.000 1.109 245 W CA -1.117 56.194 57.345 -0.057 0.000 1.192 245 W CB 0.726 29.974 29.460 -0.353 0.000 1.426 245 W HN -0.149 nan 8.180 nan 0.000 0.529 246 R N 0.501 121.248 120.500 0.412 0.000 2.344 246 R HA 0.186 4.526 4.340 -0.001 0.000 0.209 246 R C -0.850 175.727 176.300 0.461 0.000 0.886 246 R CA 0.201 56.464 56.100 0.270 0.000 1.040 246 R CB 0.327 30.710 30.300 0.138 0.000 1.114 246 R HN 0.679 nan 8.270 nan 0.000 0.547 247 D N -1.054 119.653 120.400 0.511 0.000 2.655 247 D HA 0.220 4.859 4.640 -0.001 0.000 0.229 247 D C -0.192 176.195 176.300 0.146 0.000 1.229 247 D CA -0.256 53.911 54.000 0.279 0.000 0.807 247 D CB 1.391 42.273 40.800 0.138 0.000 1.514 247 D HN -0.346 nan 8.370 nan 0.000 0.444 248 Q N 1.187 120.934 119.800 -0.089 0.000 2.127 248 Q HA 0.143 4.483 4.340 -0.001 0.000 0.222 248 Q C 1.343 177.121 176.000 -0.369 0.000 0.794 248 Q CA -0.081 55.599 55.803 -0.205 0.000 1.010 248 Q CB 0.656 29.163 28.738 -0.384 0.000 1.170 248 Q HN 0.542 nan 8.270 nan 0.000 0.479 249 R N 1.715 121.792 120.500 -0.705 0.000 2.103 249 R HA -0.247 4.093 4.340 -0.001 0.000 0.242 249 R C 2.040 178.137 176.300 -0.338 0.000 1.142 249 R CA 2.471 58.112 56.100 -0.765 0.000 0.960 249 R CB 0.161 30.083 30.300 -0.631 0.000 0.858 249 R HN 0.320 nan 8.270 nan 0.000 0.439 250 Q N -0.679 118.969 119.800 -0.253 0.000 2.124 250 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 250 Q C 1.854 177.770 176.000 -0.140 0.000 0.977 250 Q CA 1.985 57.678 55.803 -0.184 0.000 0.850 250 Q CB -0.118 28.492 28.738 -0.213 0.000 0.901 250 Q HN 0.170 nan 8.270 nan 0.000 0.429 251 S N 1.383 117.010 115.700 -0.122 0.000 2.371 251 S HA -0.152 4.318 4.470 -0.001 0.000 0.224 251 S C 1.723 176.256 174.600 -0.111 0.000 1.029 251 S CA 0.960 59.113 58.200 -0.079 0.000 0.978 251 S CB -0.483 62.684 63.200 -0.054 0.000 0.833 251 S HN 0.513 nan 8.310 nan 0.000 0.466 252 N N 1.689 120.297 118.700 -0.152 0.000 2.043 252 N HA -0.205 4.535 4.740 -0.001 0.000 0.193 252 N C 1.518 176.956 175.510 -0.119 0.000 1.037 252 N CA 1.726 54.681 53.050 -0.158 0.000 0.851 252 N CB -0.261 38.142 38.487 -0.140 0.000 1.027 252 N HN 0.501 nan 8.380 nan 0.000 0.422 253 E N 0.000 120.135 120.200 -0.109 0.000 2.085 253 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 253 E C 1.948 178.510 176.600 -0.063 0.000 0.994 253 E CA 0.920 57.273 56.400 -0.078 0.000 0.801 253 E CB -0.172 29.480 29.700 -0.080 0.000 0.743 253 E HN 0.222 nan 8.360 nan 0.000 0.453 254 L N 0.817 122.002 121.223 -0.064 0.000 2.083 254 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 254 L C 2.118 178.966 176.870 -0.037 0.000 1.083 254 L CA 1.950 56.764 54.840 -0.044 0.000 0.752 254 L CB -0.766 41.272 42.059 -0.036 0.000 0.899 254 L HN 0.050 nan 8.230 nan 0.000 0.433 255 A N -1.112 121.678 122.820 -0.050 0.000 1.902 255 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 255 A C 2.139 179.700 177.584 -0.038 0.000 1.181 255 A CA 1.689 53.700 52.037 -0.044 0.000 0.623 255 A CB -0.495 18.460 19.000 -0.075 0.000 0.818 255 A HN 0.656 nan 8.150 nan 0.000 0.443 256 Q N -0.612 119.160 119.800 -0.048 0.000 2.084 256 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 256 Q C 2.386 178.374 176.000 -0.020 0.000 0.978 256 Q CA 1.381 57.165 55.803 -0.032 0.000 0.844 256 Q CB -0.413 28.304 28.738 -0.035 0.000 0.898 256 Q HN 0.672 nan 8.270 nan 0.000 0.426 257 A N 0.806 123.612 122.820 -0.023 0.000 2.019 257 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 257 A C 1.947 179.523 177.584 -0.013 0.000 1.164 257 A CA 0.948 52.975 52.037 -0.017 0.000 0.644 257 A CB -0.418 18.570 19.000 -0.020 0.000 0.805 257 A HN 0.284 nan 8.150 nan 0.000 0.449 258 L N -1.337 119.878 121.223 -0.013 0.000 2.554 258 L HA 0.161 4.500 4.340 -0.001 0.000 0.226 258 L C 1.581 178.450 176.870 -0.002 0.000 1.137 258 L CA 0.596 55.431 54.840 -0.008 0.000 0.863 258 L CB -0.046 42.010 42.059 -0.005 0.000 0.985 258 L HN 0.572 nan 8.230 nan 0.000 0.451 259 G N 0.522 109.321 108.800 -0.001 0.000 2.198 259 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.257 259 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.257 259 G C 0.030 174.940 174.900 0.016 0.000 1.042 259 G CA -0.161 44.943 45.100 0.007 0.000 0.791 259 G HN 0.171 nan 8.290 nan 0.000 0.502 260 R N -0.173 120.334 120.500 0.012 0.000 2.803 260 R HA 0.655 4.994 4.340 -0.001 0.000 0.276 260 R C 0.263 176.571 176.300 0.013 0.000 0.978 260 R CA -0.381 55.734 56.100 0.026 0.000 0.939 260 R CB 1.424 31.742 30.300 0.030 0.000 1.179 260 R HN 0.377 nan 8.270 nan 0.000 0.472 261 S N 1.988 117.713 115.700 0.043 0.000 2.533 261 S HA 0.112 4.581 4.470 -0.001 0.000 0.282 261 S C -1.492 173.057 174.600 -0.086 0.000 1.304 261 S CA -1.021 57.194 58.200 0.025 0.000 1.063 261 S CB 0.547 63.839 63.200 0.154 0.000 0.881 261 S HN 0.260 nan 8.310 nan 0.000 0.493 262 P HA -0.063 nan 4.420 nan 0.000 0.223 262 P C -0.057 176.954 177.300 -0.481 0.000 1.144 262 P CA 1.227 64.067 63.100 -0.434 0.000 0.783 262 P CB -0.123 31.187 31.700 -0.650 0.000 0.771 263 Y N -1.271 119.023 120.300 -0.010 0.000 2.462 263 Y HA 0.069 4.619 4.550 -0.001 0.000 0.293 263 Y C 1.304 177.174 175.900 -0.049 0.000 1.195 263 Y CA -0.104 57.970 58.100 -0.044 0.000 1.276 263 Y CB -0.471 38.002 38.460 0.022 0.000 1.082 263 Y HN -0.074 nan 8.280 nan 0.000 0.514 264 D N 0.170 120.622 120.400 0.088 0.000 2.349 264 D HA 0.141 4.780 4.640 -0.001 0.000 0.214 264 D C -0.008 176.389 176.300 0.163 0.000 1.063 264 D CA 0.458 54.578 54.000 0.200 0.000 0.847 264 D CB 0.342 41.284 40.800 0.236 0.000 0.933 264 D HN 0.272 nan 8.370 nan 0.000 0.513 265 L N 0.672 121.860 121.223 -0.058 0.000 2.295 265 L HA 0.344 4.684 4.340 -0.001 0.000 0.285 265 L C -0.772 175.984 176.870 -0.191 0.000 1.035 265 L CA -0.818 54.015 54.840 -0.012 0.000 0.806 265 L CB 0.989 43.003 42.059 -0.074 0.000 1.214 265 L HN -0.135 nan 8.230 nan 0.000 0.426 266 Y N 1.855 122.178 120.300 0.038 0.000 2.464 266 Y HA 0.449 4.998 4.550 -0.000 0.000 0.326 266 Y C 0.632 176.349 175.900 -0.305 0.000 0.969 266 Y CA -0.769 57.308 58.100 -0.038 0.000 1.270 266 Y CB 1.541 40.054 38.460 0.087 0.000 1.103 266 Y HN 0.663 nan 8.280 nan 0.000 0.491 267 A N 2.796 125.466 122.820 -0.250 0.000 2.515 267 A HA 0.407 4.727 4.320 -0.001 0.000 0.263 267 A C 0.898 178.366 177.584 -0.193 0.000 1.096 267 A CA 0.345 52.118 52.037 -0.440 0.000 0.769 267 A CB -0.348 18.136 19.000 -0.860 0.000 1.040 267 A HN 0.863 nan 8.150 nan 0.000 0.505 268 G N 1.080 109.760 108.800 -0.200 0.000 2.415 268 G HA2 0.499 4.458 3.960 -0.001 0.000 0.269 268 G HA3 0.499 4.458 3.960 -0.001 0.000 0.269 268 G C -0.572 174.654 174.900 0.543 0.000 1.209 268 G CA -0.246 44.782 45.100 -0.119 0.000 0.835 268 G HN 0.851 nan 8.290 nan 0.000 0.534 269 V N 2.487 122.710 119.914 0.516 0.000 2.531 269 V HA 0.235 4.354 4.120 -0.001 0.000 0.301 269 V C -0.868 175.246 176.094 0.034 0.000 1.034 269 V CA -0.910 61.542 62.300 0.253 0.000 0.865 269 V CB 1.902 33.805 31.823 0.133 0.000 0.995 269 V HN 0.762 nan 8.190 nan 0.000 0.424 270 D N 3.676 123.741 120.400 -0.558 0.000 2.411 270 D HA 0.272 4.912 4.640 -0.001 0.000 0.225 270 D C 0.610 176.719 176.300 -0.318 0.000 1.156 270 D CA -0.098 53.447 54.000 -0.758 0.000 0.874 270 D CB 1.676 41.682 40.800 -1.324 0.000 1.034 270 D HN 0.443 nan 8.370 nan 0.000 0.502 271 V N 1.171 120.979 119.914 -0.177 0.000 3.427 271 V HA 0.224 4.343 4.120 -0.001 0.000 0.305 271 V C 1.593 177.518 176.094 -0.283 0.000 1.412 271 V CA -0.098 62.077 62.300 -0.208 0.000 1.086 271 V CB 0.053 31.862 31.823 -0.024 0.000 0.964 271 V HN 0.447 nan 8.190 nan 0.000 0.439 272 E N 1.898 121.966 120.200 -0.220 0.000 2.070 272 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 272 E C 2.084 178.653 176.600 -0.052 0.000 1.004 272 E CA 2.235 58.539 56.400 -0.160 0.000 0.805 272 E CB -0.132 29.475 29.700 -0.155 0.000 0.744 272 E HN 0.729 nan 8.360 nan 0.000 0.451 273 A N 0.172 122.932 122.820 -0.100 0.000 1.975 273 A HA 0.028 4.348 4.320 -0.001 0.000 0.215 273 A C 1.974 179.516 177.584 -0.070 0.000 1.170 273 A CA 0.966 52.985 52.037 -0.029 0.000 0.656 273 A CB 0.048 19.021 19.000 -0.045 0.000 0.821 273 A HN 0.129 nan 8.150 nan 0.000 0.449 274 R N -2.161 118.125 120.500 -0.357 0.000 2.487 274 R HA 0.286 4.625 4.340 -0.001 0.000 0.272 274 R C 1.423 177.065 176.300 -1.098 0.000 0.928 274 R CA 0.433 56.263 56.100 -0.449 0.000 1.077 274 R CB 0.422 30.550 30.300 -0.287 0.000 1.265 274 R HN 0.537 nan 8.270 nan 0.000 0.537 275 G N 1.407 109.160 108.800 -1.745 0.000 2.690 275 G HA2 -0.499 3.460 3.960 -0.001 0.000 0.334 275 G HA3 -0.499 3.460 3.960 -0.001 0.000 0.334 275 G C 1.075 175.041 174.900 -1.556 0.000 1.250 275 G CA 1.536 45.275 45.100 -2.267 0.000 0.994 275 G HN 0.376 nan 8.290 nan 0.000 0.549 276 T N -2.235 111.376 114.554 -1.572 0.000 3.051 276 T HA 0.214 4.563 4.350 -0.001 0.000 0.269 276 T C 2.015 176.244 174.700 -0.785 0.000 1.127 276 T CA 1.994 63.157 62.100 -1.563 0.000 1.107 276 T CB -0.024 68.294 68.868 -0.917 0.000 0.898 276 T HN 0.549 nan 8.240 nan 0.000 0.517 277 S N 1.073 116.436 115.700 -0.561 0.000 2.634 277 S HA 0.158 4.628 4.470 -0.001 0.000 0.221 277 S C 0.499 174.978 174.600 -0.202 0.000 0.952 277 S CA -0.313 57.737 58.200 -0.250 0.000 0.930 277 S CB -0.087 63.016 63.200 -0.162 0.000 0.780 277 S HN 0.555 nan 8.310 nan 0.000 0.498 278 T N 5.282 119.662 114.554 -0.289 0.000 2.799 278 T HA 0.223 4.572 4.350 -0.001 0.000 0.296 278 T C -2.545 172.170 174.700 0.025 0.000 0.947 278 T CA -0.928 61.084 62.100 -0.147 0.000 1.141 278 T CB 0.637 69.410 68.868 -0.158 0.000 0.891 278 T HN 0.081 nan 8.240 nan 0.000 0.533 279 P HA 0.397 nan 4.420 nan 0.000 0.276 279 P C -1.091 176.099 177.300 -0.182 0.000 1.235 279 P CA -0.367 62.702 63.100 -0.051 0.000 0.772 279 P CB 0.655 32.309 31.700 -0.076 0.000 0.871 280 V N 3.795 123.535 119.914 -0.290 0.000 2.808 280 V HA 0.183 4.303 4.120 -0.001 0.000 0.308 280 V C 0.015 175.717 176.094 -0.653 0.000 1.099 280 V CA -0.680 61.192 62.300 -0.714 0.000 0.920 280 V CB 2.309 33.257 31.823 -1.458 0.000 1.014 280 V HN 0.327 nan 8.190 nan 0.000 0.425 281 Q N 2.808 122.264 119.800 -0.573 0.000 3.026 281 Q HA 0.100 4.440 4.340 -0.001 0.000 0.258 281 Q C 0.670 176.617 176.000 -0.089 0.000 1.388 281 Q CA 0.144 55.797 55.803 -0.250 0.000 1.000 281 Q CB 0.045 28.682 28.738 -0.168 0.000 1.634 281 Q HN 0.866 nan 8.270 nan 0.000 0.571 282 W N 0.804 122.135 121.300 0.051 0.000 2.342 282 W HA -0.235 4.425 4.660 -0.001 0.000 0.297 282 W C 1.634 178.187 176.519 0.057 0.000 1.213 282 W CA 0.913 58.273 57.345 0.025 0.000 1.251 282 W CB 0.158 29.677 29.460 0.098 0.000 1.136 282 W HN 0.472 nan 8.180 nan 0.000 0.526 283 E N -0.375 120.016 120.200 0.317 0.000 2.160 283 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 283 E C 2.366 179.072 176.600 0.177 0.000 0.991 283 E CA 1.462 58.001 56.400 0.232 0.000 0.810 283 E CB -1.148 28.668 29.700 0.193 0.000 0.742 283 E HN 0.309 nan 8.360 nan 0.000 0.466 284 G N 0.021 108.950 108.800 0.214 0.000 2.509 284 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.218 284 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.218 284 G C 1.325 176.310 174.900 0.141 0.000 1.124 284 G CA 0.547 45.806 45.100 0.265 0.000 0.776 284 G HN 0.208 nan 8.290 nan 0.000 0.547 285 L N -1.655 119.517 121.223 -0.086 0.000 2.526 285 L HA 0.551 4.890 4.340 -0.001 0.000 0.210 285 L C -0.043 176.390 176.870 -0.729 0.000 1.048 285 L CA 0.213 54.731 54.840 -0.536 0.000 0.852 285 L CB 0.282 41.849 42.059 -0.820 0.000 1.128 285 L HN 0.068 nan 8.230 nan 0.000 0.482 286 F N 3.058 122.900 119.950 -0.181 0.000 2.371 286 F HA 0.441 4.967 4.527 -0.001 0.000 0.343 286 F C -2.035 173.713 175.800 -0.087 0.000 1.150 286 F CA -2.217 55.652 58.000 -0.219 0.000 1.220 286 F CB 0.259 39.045 39.000 -0.356 0.000 1.475 286 F HN 0.000 nan 8.300 nan 0.000 0.521 287 P HA 0.081 nan 4.420 nan 0.000 0.272 287 P C 0.472 177.810 177.300 0.063 0.000 1.230 287 P CA -0.009 63.099 63.100 0.013 0.000 0.788 287 P CB 1.286 32.935 31.700 -0.085 0.000 0.949 288 E N 0.997 121.245 120.200 0.080 0.000 2.058 288 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 288 E C 1.653 178.281 176.600 0.047 0.000 0.997 288 E CA 1.785 58.229 56.400 0.074 0.000 0.801 288 E CB -0.436 29.305 29.700 0.068 0.000 0.746 288 E HN 0.713 nan 8.360 nan 0.000 0.450 289 G N -0.234 108.588 108.800 0.037 0.000 3.596 289 G HA2 0.107 4.066 3.960 -0.001 0.000 0.274 289 G HA3 0.107 4.066 3.960 -0.001 0.000 0.274 289 G C -0.197 174.716 174.900 0.022 0.000 1.007 289 G CA -0.302 44.814 45.100 0.025 0.000 0.825 289 G HN -0.011 nan 8.290 nan 0.000 0.508 290 E N 0.677 120.890 120.200 0.021 0.000 2.244 290 E HA 0.358 4.707 4.350 -0.001 0.000 0.266 290 E C -0.315 176.284 176.600 -0.001 0.000 0.914 290 E CA -0.828 55.582 56.400 0.016 0.000 0.794 290 E CB 1.906 31.620 29.700 0.023 0.000 1.210 290 E HN 0.308 nan 8.360 nan 0.000 0.414 291 K N 0.042 120.451 120.400 0.014 0.000 2.132 291 K HA 0.512 4.831 4.320 -0.001 0.000 0.240 291 K C -0.094 176.510 176.600 0.007 0.000 1.036 291 K CA -0.704 55.601 56.287 0.029 0.000 0.888 291 K CB 0.363 32.906 32.500 0.072 0.000 1.071 291 K HN 0.402 nan 8.250 nan 0.000 0.502 292 A N 1.454 124.329 122.820 0.092 0.000 2.540 292 A HA -0.004 4.316 4.320 -0.001 0.000 0.239 292 A C 0.601 178.231 177.584 0.076 0.000 1.061 292 A CA -0.301 51.789 52.037 0.089 0.000 0.758 292 A CB -0.226 18.939 19.000 0.274 0.000 0.991 292 A HN 0.831 nan 8.150 nan 0.000 0.502 293 H N 1.202 120.248 119.070 -0.041 0.000 2.357 293 H HA -0.010 4.545 4.556 -0.001 0.000 0.301 293 H C 1.369 176.549 175.328 -0.248 0.000 1.082 293 H CA 1.933 57.897 56.048 -0.141 0.000 1.342 293 H CB -0.107 29.537 29.762 -0.196 0.000 1.389 293 H HN 0.888 nan 8.280 nan 0.000 0.511 294 T N -3.203 111.296 114.554 -0.092 0.000 2.618 294 T HA 0.494 4.844 4.350 -0.001 0.000 0.293 294 T C 0.215 174.970 174.700 0.091 0.000 1.093 294 T CA -0.888 61.123 62.100 -0.150 0.000 1.061 294 T CB 2.078 70.796 68.868 -0.250 0.000 1.498 294 T HN 0.015 nan 8.240 nan 0.000 0.494 295 S N -0.222 115.474 115.700 -0.007 0.000 2.686 295 S HA 0.712 5.182 4.470 -0.001 0.000 0.270 295 S C -0.760 173.880 174.600 0.066 0.000 1.194 295 S CA -0.672 57.542 58.200 0.024 0.000 0.990 295 S CB 0.614 63.566 63.200 -0.414 0.000 1.029 295 S HN 0.742 nan 8.310 nan 0.000 0.560 296 L N 0.906 122.352 121.223 0.373 0.000 2.329 296 L HA 0.763 5.103 4.340 -0.001 0.000 0.279 296 L C -0.086 177.053 176.870 0.448 0.000 1.014 296 L CA -0.078 54.988 54.840 0.377 0.000 0.814 296 L CB 1.048 43.457 42.059 0.584 0.000 1.257 296 L HN 0.646 nan 8.230 nan 0.000 0.424 297 G N 5.711 114.664 108.800 0.255 0.000 2.574 297 G HA2 0.551 4.510 3.960 -0.001 0.000 0.306 297 G HA3 0.551 4.510 3.960 -0.001 0.000 0.306 297 G C -1.314 173.819 174.900 0.390 0.000 1.334 297 G CA -0.487 44.759 45.100 0.244 0.000 0.954 297 G HN 0.570 nan 8.290 nan 0.000 0.500 298 L N 2.840 124.329 121.223 0.443 0.000 2.262 298 L HA 0.281 4.620 4.340 -0.001 0.000 0.288 298 L C -0.642 176.410 176.870 0.305 0.000 1.035 298 L CA -1.086 53.975 54.840 0.369 0.000 0.820 298 L CB 1.193 43.421 42.059 0.282 0.000 1.204 298 L HN 0.569 nan 8.230 nan 0.000 0.424 299 Y N 5.458 125.874 120.300 0.193 0.000 2.404 299 Y HA 0.263 4.812 4.550 -0.001 0.000 0.344 299 Y C 0.420 176.199 175.900 -0.202 0.000 0.995 299 Y CA -0.678 57.368 58.100 -0.090 0.000 1.201 299 Y CB 0.177 38.657 38.460 0.033 0.000 1.151 299 Y HN 0.517 nan 8.280 nan 0.000 0.517 300 R N 4.046 124.042 120.500 -0.839 0.000 3.305 300 R HA -0.133 4.207 4.340 -0.001 0.000 0.268 300 R C -2.459 173.614 176.300 -0.377 0.000 1.087 300 R CA 0.644 56.294 56.100 -0.750 0.000 0.725 300 R CB -2.057 27.641 30.300 -1.002 0.000 1.233 300 R HN 0.564 nan 8.270 nan 0.000 0.416 301 P HA -0.134 nan 4.420 nan 0.000 0.228 301 P C 0.718 177.902 177.300 -0.194 0.000 1.151 301 P CA 1.645 64.507 63.100 -0.398 0.000 0.770 301 P CB -0.072 31.461 31.700 -0.278 0.000 0.786 302 D N -2.663 117.624 120.400 -0.187 0.000 2.378 302 D HA -0.183 4.456 4.640 -0.001 0.000 0.227 302 D C 1.587 177.868 176.300 -0.033 0.000 1.012 302 D CA -0.318 53.618 54.000 -0.107 0.000 0.905 302 D CB -1.074 39.594 40.800 -0.220 0.000 0.895 302 D HN 0.195 nan 8.370 nan 0.000 0.532 303 W N 1.986 123.152 121.300 -0.225 0.000 2.292 303 W HA -0.361 4.298 4.660 -0.001 0.000 0.304 303 W C 2.153 178.625 176.519 -0.078 0.000 1.228 303 W CA 2.543 59.784 57.345 -0.172 0.000 1.241 303 W CB -0.406 28.930 29.460 -0.208 0.000 1.142 303 W HN 0.078 nan 8.180 nan 0.000 0.520 304 A N -0.459 122.220 122.820 -0.235 0.000 1.972 304 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 304 A C 1.944 179.462 177.584 -0.110 0.000 1.169 304 A CA 1.608 53.399 52.037 -0.409 0.000 0.635 304 A CB -1.279 17.811 19.000 0.150 0.000 0.810 304 A HN 0.568 nan 8.150 nan 0.000 0.446 305 F N 0.083 119.844 119.950 -0.315 0.000 2.219 305 F HA 0.011 4.538 4.527 -0.001 0.000 0.294 305 F C 2.323 177.874 175.800 -0.415 0.000 1.086 305 F CA 1.697 59.252 58.000 -0.741 0.000 1.330 305 F CB -0.209 38.123 39.000 -1.114 0.000 1.047 305 F HN 0.242 nan 8.300 nan 0.000 0.495 306 Q N -0.490 119.110 119.800 -0.333 0.000 2.389 306 Q HA -0.045 4.295 4.340 -0.001 0.000 0.204 306 Q C 1.810 177.618 176.000 -0.319 0.000 0.944 306 Q CA 1.135 56.744 55.803 -0.323 0.000 0.908 306 Q CB -0.036 28.608 28.738 -0.157 0.000 1.002 306 Q HN 0.455 nan 8.270 nan 0.000 0.493 307 S N -1.357 114.099 115.700 -0.407 0.000 2.556 307 S HA 0.208 4.678 4.470 -0.001 0.000 0.216 307 S C 0.520 174.916 174.600 -0.341 0.000 0.970 307 S CA -0.599 57.385 58.200 -0.360 0.000 0.912 307 S CB 0.579 63.497 63.200 -0.471 0.000 0.790 307 S HN -0.076 nan 8.310 nan 0.000 0.504 308 S N 1.138 116.624 115.700 -0.356 0.000 2.607 308 S HA 0.523 4.993 4.470 -0.001 0.000 0.303 308 S C 0.211 174.587 174.600 -0.374 0.000 1.086 308 S CA -0.755 57.282 58.200 -0.273 0.000 0.995 308 S CB 1.676 64.797 63.200 -0.132 0.000 1.084 308 S HN 0.183 nan 8.310 nan 0.000 0.507 309 E N 0.960 120.921 120.200 -0.398 0.000 2.413 309 E HA 0.116 4.465 4.350 -0.001 0.000 0.203 309 E C 0.470 176.543 176.600 -0.878 0.000 0.957 309 E CA 0.590 56.640 56.400 -0.582 0.000 0.950 309 E CB 0.559 30.053 29.700 -0.342 0.000 0.957 309 E HN 0.788 nan 8.360 nan 0.000 0.497 310 T N -2.016 112.210 114.554 -0.547 0.000 2.893 310 T HA 0.346 4.696 4.350 -0.001 0.000 0.291 310 T C 0.878 175.587 174.700 0.016 0.000 1.028 310 T CA -0.690 61.187 62.100 -0.371 0.000 0.995 310 T CB 1.989 70.766 68.868 -0.152 0.000 1.051 310 T HN -0.218 nan 8.240 nan 0.000 0.470 311 M N 1.485 121.096 119.600 0.019 0.000 2.144 311 M HA -0.106 4.373 4.480 -0.001 0.000 0.260 311 M C 1.831 178.160 176.300 0.048 0.000 1.067 311 M CA 1.927 57.193 55.300 -0.057 0.000 1.095 311 M CB -0.892 31.131 32.600 -0.962 0.000 1.365 311 M HN 0.825 nan 8.290 nan 0.000 0.406 312 E N -0.611 119.647 120.200 0.096 0.000 2.107 312 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 312 E C 2.030 178.798 176.600 0.281 0.000 0.982 312 E CA 1.139 57.710 56.400 0.284 0.000 0.809 312 E CB -0.397 29.471 29.700 0.281 0.000 0.756 312 E HN 0.667 nan 8.360 nan 0.000 0.459 313 A N 1.429 124.366 122.820 0.196 0.000 1.929 313 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 313 A C 1.956 179.669 177.584 0.214 0.000 1.176 313 A CA 0.790 52.922 52.037 0.158 0.000 0.628 313 A CB -0.593 18.441 19.000 0.056 0.000 0.816 313 A HN 0.310 nan 8.150 nan 0.000 0.444 314 F N -0.271 119.757 119.950 0.130 0.000 2.075 314 F HA -0.182 4.344 4.527 -0.001 0.000 0.297 314 F C 2.008 177.977 175.800 0.282 0.000 1.113 314 F CA 1.453 59.550 58.000 0.162 0.000 1.218 314 F CB -0.943 38.210 39.000 0.256 0.000 0.984 314 F HN 0.285 nan 8.300 nan 0.000 0.472 315 Y N 1.012 121.223 120.300 -0.148 0.000 2.274 315 Y HA -0.162 4.388 4.550 -0.001 0.000 0.290 315 Y C 2.705 178.707 175.900 0.170 0.000 1.145 315 Y CA 1.793 59.853 58.100 -0.066 0.000 1.203 315 Y CB -0.913 37.693 38.460 0.243 0.000 0.984 315 Y HN 0.334 nan 8.280 nan 0.000 0.533 316 E N 0.170 120.562 120.200 0.319 0.000 2.072 316 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 316 E C 1.925 178.662 176.600 0.228 0.000 0.985 316 E CA 1.140 57.709 56.400 0.282 0.000 0.801 316 E CB 0.014 29.862 29.700 0.246 0.000 0.750 316 E HN 0.379 nan 8.360 nan 0.000 0.452 317 K N 0.307 120.810 120.400 0.172 0.000 2.148 317 K HA -0.118 4.202 4.320 -0.001 0.000 0.204 317 K C 2.102 178.869 176.600 0.279 0.000 1.050 317 K CA 1.173 57.563 56.287 0.172 0.000 0.942 317 K CB 0.026 32.460 32.500 -0.110 0.000 0.724 317 K HN 0.197 nan 8.250 nan 0.000 0.446 318 E N 0.973 121.292 120.200 0.198 0.000 2.072 318 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 318 E C 2.120 178.821 176.600 0.168 0.000 0.985 318 E CA 0.747 57.303 56.400 0.261 0.000 0.801 318 E CB -0.087 29.677 29.700 0.106 0.000 0.750 318 E HN 0.234 nan 8.360 nan 0.000 0.452 319 L N 1.203 122.551 121.223 0.209 0.000 1.994 319 L HA -0.261 4.079 4.340 -0.001 0.000 0.208 319 L C 2.433 179.417 176.870 0.189 0.000 1.071 319 L CA 1.562 56.527 54.840 0.207 0.000 0.745 319 L CB -0.101 42.157 42.059 0.332 0.000 0.892 319 L HN 0.086 nan 8.230 nan 0.000 0.431 320 Q N -1.395 118.547 119.800 0.236 0.000 2.226 320 Q HA -0.238 4.102 4.340 -0.001 0.000 0.204 320 Q C 1.938 178.080 176.000 0.236 0.000 0.975 320 Q CA 1.919 57.853 55.803 0.219 0.000 0.866 320 Q CB -0.132 28.736 28.738 0.217 0.000 0.915 320 Q HN 0.566 nan 8.270 nan 0.000 0.440 321 F N -1.297 118.722 119.950 0.115 0.000 2.179 321 F HA -0.069 4.458 4.527 -0.000 0.000 0.292 321 F C 1.148 176.996 175.800 0.080 0.000 1.089 321 F CA 0.946 58.988 58.000 0.071 0.000 1.295 321 F CB -0.057 38.952 39.000 0.015 0.000 1.041 321 F HN 0.005 nan 8.300 nan 0.000 0.487 322 W N -0.881 120.532 121.300 0.188 0.000 2.640 322 W HA 0.118 4.778 4.660 -0.001 0.000 0.268 322 W C 1.946 178.328 176.519 -0.228 0.000 1.263 322 W CA 0.916 58.214 57.345 -0.077 0.000 1.344 322 W CB -0.194 28.946 29.460 -0.533 0.000 1.093 322 W HN -0.220 nan 8.180 nan 0.000 0.603 323 V N -1.059 118.895 119.914 0.066 0.000 3.307 323 V HA 0.496 4.616 4.120 -0.001 0.000 0.244 323 V C 0.981 177.081 176.094 0.010 0.000 1.196 323 V CA 1.114 63.447 62.300 0.055 0.000 1.132 323 V CB -0.016 31.912 31.823 0.175 0.000 0.875 323 V HN 0.143 nan 8.190 nan 0.000 0.468 324 G N -0.039 108.802 108.800 0.068 0.000 2.462 324 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.685 324 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.685 324 G C 0.341 175.295 174.900 0.090 0.000 1.295 324 G CA -0.072 45.066 45.100 0.063 0.000 0.941 324 G HN 0.056 nan 8.290 nan 0.000 0.554 325 S N -0.697 115.046 115.700 0.073 0.000 2.447 325 S HA -0.040 4.430 4.470 -0.001 0.000 0.233 325 S C 2.414 177.055 174.600 0.067 0.000 1.006 325 S CA 2.022 60.268 58.200 0.077 0.000 0.957 325 S CB -0.206 63.029 63.200 0.058 0.000 0.773 325 S HN 0.837 nan 8.310 nan 0.000 0.507 326 T N 0.927 115.508 114.554 0.044 0.000 2.833 326 T HA 0.082 4.432 4.350 -0.001 0.000 0.269 326 T C 1.678 176.430 174.700 0.086 0.000 1.054 326 T CA 1.181 63.308 62.100 0.045 0.000 1.135 326 T CB -0.671 68.206 68.868 0.015 0.000 0.869 326 T HN 0.633 nan 8.240 nan 0.000 0.466 327 G N 1.879 110.749 108.800 0.117 0.000 2.153 327 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.252 327 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.252 327 G C 0.071 175.076 174.900 0.175 0.000 0.994 327 G CA 0.306 45.513 45.100 0.179 0.000 0.698 327 G HN 0.598 nan 8.290 nan 0.000 0.521 328 N N -0.291 118.477 118.700 0.114 0.000 2.558 328 N HA 0.390 5.130 4.740 -0.001 0.000 0.285 328 N C -1.170 174.382 175.510 0.069 0.000 1.112 328 N CA -1.644 51.461 53.050 0.092 0.000 0.857 328 N CB 2.082 40.604 38.487 0.058 0.000 1.376 328 N HN -0.050 nan 8.380 nan 0.000 0.526 329 P HA -0.099 nan 4.420 nan 0.000 0.219 329 P C 0.737 178.069 177.300 0.053 0.000 1.146 329 P CA 0.910 64.097 63.100 0.145 0.000 0.808 329 P CB 0.422 32.328 31.700 0.342 0.000 0.779 330 A N -0.322 122.496 122.820 -0.003 0.000 2.081 330 A HA 0.007 4.326 4.320 -0.001 0.000 0.214 330 A C 1.182 178.739 177.584 -0.045 0.000 1.158 330 A CA 0.746 52.753 52.037 -0.050 0.000 0.724 330 A CB -0.174 18.764 19.000 -0.103 0.000 0.826 330 A HN 0.030 nan 8.150 nan 0.000 0.463 331 E N 1.825 122.008 120.200 -0.028 0.000 2.969 331 E HA 0.197 4.546 4.350 -0.001 0.000 0.213 331 E C -0.774 175.805 176.600 -0.036 0.000 1.107 331 E CA -0.134 56.249 56.400 -0.028 0.000 1.007 331 E CB 0.222 29.915 29.700 -0.011 0.000 1.326 331 E HN 0.473 nan 8.360 nan 0.000 0.432 332 T N -1.433 113.091 114.554 -0.050 0.000 2.907 332 T HA 0.297 4.646 4.350 -0.001 0.000 0.284 332 T C 0.047 174.678 174.700 -0.114 0.000 1.004 332 T CA -0.939 61.112 62.100 -0.081 0.000 1.063 332 T CB 1.971 70.791 68.868 -0.079 0.000 0.992 332 T HN -0.057 nan 8.240 nan 0.000 0.483 333 D N 1.295 121.569 120.400 -0.209 0.000 2.456 333 D HA 0.328 4.968 4.640 -0.001 0.000 0.219 333 D C 1.386 177.422 176.300 -0.441 0.000 1.126 333 D CA -0.596 53.269 54.000 -0.225 0.000 0.890 333 D CB 0.211 40.925 40.800 -0.144 0.000 1.025 333 D HN 0.753 nan 8.370 nan 0.000 0.511 334 G N 2.629 111.133 108.800 -0.494 0.000 2.708 334 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.210 334 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.210 334 G C 1.016 175.711 174.900 -0.343 0.000 1.141 334 G CA 0.316 44.945 45.100 -0.785 0.000 0.788 334 G HN 0.520 nan 8.290 nan 0.000 0.531 335 Q N -0.130 119.549 119.800 -0.203 0.000 2.384 335 Q HA 0.160 4.500 4.340 -0.001 0.000 0.207 335 Q C 1.387 177.347 176.000 -0.066 0.000 0.904 335 Q CA -0.241 55.512 55.803 -0.084 0.000 0.933 335 Q CB 0.507 29.219 28.738 -0.044 0.000 1.077 335 Q HN 0.356 nan 8.270 nan 0.000 0.522 336 S N 0.797 116.423 115.700 -0.123 0.000 2.568 336 S HA 0.000 4.470 4.470 -0.001 0.000 0.282 336 S C 1.048 175.651 174.600 0.006 0.000 1.338 336 S CA -0.457 57.706 58.200 -0.062 0.000 1.045 336 S CB 0.566 63.708 63.200 -0.097 0.000 0.873 336 S HN 0.221 nan 8.310 nan 0.000 0.516 337 N N 2.246 121.002 118.700 0.094 0.000 2.149 337 N HA -0.090 4.650 4.740 -0.001 0.000 0.188 337 N C -0.008 175.703 175.510 0.335 0.000 1.019 337 N CA 1.096 54.268 53.050 0.204 0.000 0.857 337 N CB -0.107 38.490 38.487 0.183 0.000 0.997 337 N HN 0.782 nan 8.380 nan 0.000 0.426 338 W N 1.490 122.789 121.300 -0.002 0.000 2.483 338 W HA 0.281 4.941 4.660 -0.000 0.000 0.291 338 W C -2.323 174.041 176.519 -0.258 0.000 0.997 338 W CA -1.778 55.524 57.345 -0.070 0.000 1.591 338 W CB 1.375 30.782 29.460 -0.087 0.000 1.434 338 W HN 0.007 nan 8.180 nan 0.000 0.420 339 P HA 0.015 nan 4.420 nan 0.000 0.223 339 P C 0.649 177.512 177.300 -0.729 0.000 1.151 339 P CA 1.582 64.191 63.100 -0.819 0.000 0.787 339 P CB 0.392 31.200 31.700 -1.486 0.000 0.788 340 G N -1.082 107.181 108.800 -0.894 0.000 2.690 340 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.686 340 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.686 340 G C 0.431 174.991 174.900 -0.566 0.000 1.277 340 G CA -0.365 44.387 45.100 -0.580 0.000 0.799 340 G HN -0.155 nan 8.290 nan 0.000 0.613 341 M N 0.998 120.375 119.600 -0.371 0.000 2.229 341 M HA -0.031 4.449 4.480 -0.001 0.000 0.264 341 M C 2.906 179.039 176.300 -0.279 0.000 1.063 341 M CA 2.295 57.502 55.300 -0.155 0.000 1.114 341 M CB -1.701 30.881 32.600 -0.030 0.000 1.387 341 M HN 1.319 nan 8.290 nan 0.000 0.420 342 A N -1.147 121.337 122.820 -0.560 0.000 2.070 342 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 342 A C 1.961 179.359 177.584 -0.309 0.000 1.159 342 A CA 1.811 53.580 52.037 -0.448 0.000 0.656 342 A CB -1.111 17.756 19.000 -0.222 0.000 0.800 342 A HN 0.563 nan 8.150 nan 0.000 0.453 343 H N -2.026 116.673 119.070 -0.619 0.000 2.421 343 H HA -0.142 4.413 4.556 -0.001 0.000 0.298 343 H C 1.477 176.203 175.328 -1.004 0.000 1.087 343 H CA 2.219 57.711 56.048 -0.926 0.000 1.330 343 H CB -0.025 28.824 29.762 -1.522 0.000 1.388 343 H HN 0.677 nan 8.280 nan 0.000 0.526 344 W N -1.446 119.521 121.300 -0.555 0.000 2.901 344 W HA 0.230 4.889 4.660 -0.001 0.000 0.281 344 W C -0.503 175.511 176.519 -0.842 0.000 1.167 344 W CA -0.184 56.598 57.345 -0.939 0.000 1.506 344 W CB 0.126 28.646 29.460 -1.566 0.000 0.985 344 W HN -0.038 nan 8.180 nan 0.000 0.590 345 F N 1.404 121.337 119.950 -0.028 0.000 2.467 345 F HA 0.415 4.942 4.527 0.000 0.000 0.336 345 F C -2.082 173.852 175.800 0.223 0.000 1.123 345 F CA -2.676 55.398 58.000 0.124 0.000 0.964 345 F CB 0.822 39.977 39.000 0.258 0.000 1.136 345 F HN -0.459 nan 8.300 nan 0.000 0.447 346 P HA 0.099 nan 4.420 nan 0.000 0.266 346 P C -0.733 176.840 177.300 0.455 0.000 1.195 346 P CA -0.140 63.162 63.100 0.336 0.000 0.768 346 P CB 0.574 32.404 31.700 0.217 0.000 0.838 347 A N 3.789 126.856 122.820 0.412 0.000 2.401 347 A HA 0.357 4.676 4.320 -0.001 0.000 0.259 347 A C 0.238 177.867 177.584 0.076 0.000 1.103 347 A CA -0.124 51.984 52.037 0.118 0.000 0.789 347 A CB 0.018 19.027 19.000 0.016 0.000 1.035 347 A HN 0.342 nan 8.150 nan 0.000 0.491 348 K N 1.166 121.591 120.400 0.040 0.000 2.156 348 K HA 0.671 4.991 4.320 -0.001 0.000 0.250 348 K C -0.479 176.097 176.600 -0.041 0.000 0.955 348 K CA -0.483 55.823 56.287 0.032 0.000 0.855 348 K CB 1.723 34.274 32.500 0.085 0.000 1.101 348 K HN 0.567 nan 8.250 nan 0.000 0.434 349 S N -0.449 115.209 115.700 -0.069 0.000 2.548 349 S HA 0.295 4.765 4.470 -0.001 0.000 0.286 349 S C -0.146 174.402 174.600 -0.087 0.000 1.098 349 S CA -0.454 57.676 58.200 -0.115 0.000 0.930 349 S CB 1.662 64.739 63.200 -0.205 0.000 1.070 349 S HN 0.584 nan 8.310 nan 0.000 0.480 350 T N 2.439 116.947 114.554 -0.078 0.000 3.129 350 T HA 0.394 4.743 4.350 -0.001 0.000 0.267 350 T C 0.469 175.104 174.700 -0.108 0.000 1.018 350 T CA 0.321 62.387 62.100 -0.056 0.000 0.903 350 T CB -0.525 68.339 68.868 -0.006 0.000 1.067 350 T HN 0.742 nan 8.240 nan 0.000 0.549 351 A N 1.566 124.216 122.820 -0.284 0.000 3.077 351 A HA 0.393 4.713 4.320 -0.001 0.000 0.255 351 A C 1.414 178.746 177.584 -0.421 0.000 1.728 351 A CA -0.033 51.613 52.037 -0.652 0.000 1.383 351 A CB -0.998 17.161 19.000 -1.401 0.000 1.097 351 A HN 0.534 nan 8.150 nan 0.000 0.634 352 T N -3.177 111.258 114.554 -0.198 0.000 3.091 352 T HA 0.423 4.772 4.350 -0.001 0.000 0.277 352 T C 0.275 174.932 174.700 -0.073 0.000 0.996 352 T CA 0.327 62.351 62.100 -0.126 0.000 0.897 352 T CB -0.075 68.746 68.868 -0.078 0.000 1.109 352 T HN 0.627 nan 8.240 nan 0.000 0.534 353 S N 0.435 116.105 115.700 -0.050 0.000 2.533 353 S HA 0.634 5.103 4.470 -0.001 0.000 0.271 353 S C -1.232 173.386 174.600 0.030 0.000 1.143 353 S CA -0.530 57.668 58.200 -0.003 0.000 0.891 353 S CB 1.804 65.014 63.200 0.016 0.000 1.105 353 S HN 0.182 nan 8.310 nan 0.000 0.468 354 V N 4.940 124.869 119.914 0.024 0.000 2.481 354 V HA 0.541 4.661 4.120 -0.001 0.000 0.286 354 V C -1.947 174.171 176.094 0.040 0.000 1.042 354 V CA -1.445 60.878 62.300 0.038 0.000 0.928 354 V CB 0.999 32.832 31.823 0.017 0.000 0.986 354 V HN 0.858 nan 8.190 nan 0.000 0.462 355 P HA 0.338 nan 4.420 nan 0.000 0.279 355 P C -1.088 176.266 177.300 0.089 0.000 1.239 355 P CA -0.320 62.809 63.100 0.049 0.000 0.789 355 P CB 0.400 32.116 31.700 0.028 0.000 0.933 356 F N 3.510 123.407 119.950 -0.089 0.000 2.411 356 F HA 0.510 5.037 4.527 -0.000 0.000 0.352 356 F C -1.091 174.604 175.800 -0.175 0.000 1.123 356 F CA -0.789 57.126 58.000 -0.142 0.000 1.044 356 F CB 0.993 39.874 39.000 -0.198 0.000 1.135 356 F HN 0.041 nan 8.300 nan 0.000 0.461 357 V N 4.867 124.249 119.914 -0.886 0.000 2.709 357 V HA 0.632 4.751 4.120 -0.001 0.000 0.308 357 V C -0.491 174.974 176.094 -1.048 0.000 1.062 357 V CA -0.641 61.169 62.300 -0.816 0.000 0.901 357 V CB 1.909 33.484 31.823 -0.413 0.000 1.003 357 V HN 0.847 nan 8.190 nan 0.000 0.425 358 T N 1.548 115.477 114.554 -1.040 0.000 2.933 358 T HA 0.569 4.918 4.350 -0.001 0.000 0.305 358 T C -0.476 173.670 174.700 -0.924 0.000 1.092 358 T CA -0.297 61.280 62.100 -0.871 0.000 1.008 358 T CB 1.306 69.645 68.868 -0.882 0.000 1.102 358 T HN 0.798 nan 8.240 nan 0.000 0.469 359 H N 2.942 121.711 119.070 -0.501 0.000 2.674 359 H HA 0.391 4.947 4.556 -0.001 0.000 0.274 359 H C -0.097 175.304 175.328 0.123 0.000 1.121 359 H CA -0.349 55.565 56.048 -0.224 0.000 1.132 359 H CB -0.161 29.430 29.762 -0.286 0.000 1.606 359 H HN 0.652 nan 8.280 nan 0.000 0.558 360 F N -0.142 119.914 119.950 0.178 0.000 3.091 360 F HA -0.293 4.234 4.527 -0.001 0.000 0.288 360 F C 0.466 176.407 175.800 0.234 0.000 0.907 360 F CA 0.112 58.287 58.000 0.291 0.000 1.028 360 F CB -1.736 37.486 39.000 0.370 0.000 1.022 360 F HN 0.328 nan 8.300 nan 0.000 0.665 361 N N 1.393 120.264 118.700 0.286 0.000 2.431 361 N HA 0.071 4.811 4.740 -0.001 0.000 0.265 361 N C 1.265 176.907 175.510 0.220 0.000 1.184 361 N CA 0.975 54.185 53.050 0.267 0.000 0.943 361 N CB 1.071 39.716 38.487 0.264 0.000 1.080 361 N HN 0.359 nan 8.380 nan 0.000 0.477 362 T N 0.603 115.266 114.554 0.182 0.000 3.113 362 T HA 0.212 4.562 4.350 -0.001 0.000 0.256 362 T C 1.220 176.025 174.700 0.174 0.000 1.131 362 T CA 0.605 62.765 62.100 0.101 0.000 1.074 362 T CB 0.082 68.978 68.868 0.048 0.000 0.944 362 T HN 0.617 nan 8.240 nan 0.000 0.516 363 G N 0.826 109.750 108.800 0.206 0.000 2.253 363 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.209 363 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.209 363 G C 0.237 175.042 174.900 -0.159 0.000 0.997 363 G CA 0.142 45.339 45.100 0.162 0.000 0.640 363 G HN 1.422 nan 8.290 nan 0.000 0.496 364 S N -1.101 114.371 115.700 -0.379 0.000 2.685 364 S HA 0.967 5.437 4.470 -0.001 0.000 0.282 364 S C -0.216 173.947 174.600 -0.728 0.000 1.159 364 S CA 0.298 57.925 58.200 -0.956 0.000 0.833 364 S CB 2.260 65.184 63.200 -0.459 0.000 1.151 364 S HN 2.029 nan 8.310 nan 0.000 0.485 365 G N -1.127 107.113 108.800 -0.935 0.000 2.576 365 G HA2 0.667 4.627 3.960 -0.001 0.000 0.290 365 G HA3 0.667 4.627 3.960 -0.001 0.000 0.290 365 G C -0.039 174.510 174.900 -0.584 0.000 1.442 365 G CA -0.233 44.683 45.100 -0.308 0.000 0.792 365 G HN 1.323 nan 8.290 nan 0.000 0.491 366 A N -0.749 121.629 122.820 -0.737 0.000 2.275 366 A HA 0.543 4.863 4.320 -0.001 0.000 0.212 366 A C 0.782 178.329 177.584 -0.062 0.000 1.201 366 A CA 1.338 53.024 52.037 -0.584 0.000 0.843 366 A CB 0.007 18.607 19.000 -0.666 0.000 0.873 366 A HN 0.886 nan 8.150 nan 0.000 0.492 367 Q N -1.564 118.346 119.800 0.183 0.000 2.702 367 Q HA 0.405 4.744 4.340 -0.001 0.000 0.289 367 Q C -2.414 173.865 176.000 0.465 0.000 0.923 367 Q CA -0.560 55.407 55.803 0.273 0.000 0.787 367 Q CB 0.752 29.570 28.738 0.134 0.000 1.476 367 Q HN 0.171 nan 8.270 nan 0.000 0.402 368 F N 0.929 120.958 119.950 0.132 0.000 2.539 368 F HA 0.615 5.142 4.527 -0.001 0.000 0.318 368 F C -0.945 174.839 175.800 -0.027 0.000 1.135 368 F CA -0.148 57.836 58.000 -0.027 0.000 0.915 368 F CB 2.172 40.949 39.000 -0.372 0.000 1.176 368 F HN 0.431 nan 8.300 nan 0.000 0.440 369 S N 3.451 119.113 115.700 -0.064 0.000 2.549 369 S HA 0.906 5.376 4.470 -0.001 0.000 0.297 369 S C -0.846 173.742 174.600 -0.019 0.000 1.115 369 S CA -0.655 57.540 58.200 -0.009 0.000 1.059 369 S CB 1.660 64.815 63.200 -0.075 0.000 1.046 369 S HN 0.803 nan 8.310 nan 0.000 0.506 370 A N 1.615 124.417 122.820 -0.030 0.000 2.343 370 A HA 0.678 4.998 4.320 -0.001 0.000 0.308 370 A C 0.037 177.421 177.584 -0.334 0.000 1.092 370 A CA -0.687 51.276 52.037 -0.125 0.000 0.751 370 A CB 0.118 19.140 19.000 0.037 0.000 1.203 370 A HN 0.923 nan 8.150 nan 0.000 0.452 371 E N 1.260 121.032 120.200 -0.713 0.000 2.328 371 E HA -0.297 4.052 4.350 -0.001 0.000 0.233 371 E C 1.093 177.319 176.600 -0.624 0.000 1.219 371 E CA 1.245 57.041 56.400 -1.007 0.000 0.717 371 E CB -1.467 28.024 29.700 -0.348 0.000 1.210 371 E HN 2.200 nan 8.360 nan 0.000 0.381 372 G N -0.200 108.216 108.800 -0.640 0.000 2.176 372 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.253 372 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.253 372 G C 0.193 175.167 174.900 0.124 0.000 0.979 372 G CA 0.664 45.720 45.100 -0.072 0.000 0.641 372 G HN 0.245 nan 8.290 nan 0.000 0.530 373 K N 1.180 121.585 120.400 0.008 0.000 2.206 373 K HA 0.485 4.805 4.320 -0.001 0.000 0.264 373 K C 0.060 176.690 176.600 0.050 0.000 0.967 373 K CA -0.387 55.929 56.287 0.049 0.000 0.844 373 K CB 1.086 33.600 32.500 0.023 0.000 1.099 373 K HN 0.071 nan 8.250 nan 0.000 0.441 374 T N 1.987 116.585 114.554 0.073 0.000 2.871 374 T HA 0.004 4.353 4.350 -0.001 0.000 0.296 374 T C 1.123 175.880 174.700 0.095 0.000 0.998 374 T CA -0.079 62.074 62.100 0.089 0.000 1.162 374 T CB 0.260 69.176 68.868 0.080 0.000 0.947 374 T HN 0.499 nan 8.240 nan 0.000 0.536 375 V N 0.756 120.752 119.914 0.136 0.000 3.477 375 V HA 0.563 4.683 4.120 -0.001 0.000 0.297 375 V C 0.407 176.567 176.094 0.111 0.000 1.433 375 V CA -0.186 62.204 62.300 0.149 0.000 1.052 375 V CB 0.298 32.273 31.823 0.253 0.000 0.895 375 V HN 0.713 nan 8.190 nan 0.000 0.438 376 S N -0.181 115.583 115.700 0.106 0.000 2.548 376 S HA 0.443 4.912 4.470 -0.001 0.000 0.278 376 S C -0.177 174.491 174.600 0.114 0.000 1.150 376 S CA -0.359 57.888 58.200 0.078 0.000 0.907 376 S CB 2.083 65.293 63.200 0.018 0.000 1.108 376 S HN 0.230 nan 8.310 nan 0.000 0.459 377 E N 1.782 122.035 120.200 0.087 0.000 2.474 377 E HA 0.138 4.488 4.350 -0.001 0.000 0.195 377 E C -0.106 176.553 176.600 0.098 0.000 1.039 377 E CA 0.142 56.592 56.400 0.083 0.000 0.881 377 E CB 0.334 30.061 29.700 0.046 0.000 0.970 377 E HN 0.581 nan 8.360 nan 0.000 0.486 378 Q N 0.864 120.740 119.800 0.127 0.000 2.293 378 Q HA 0.163 4.502 4.340 -0.001 0.000 0.251 378 Q C 0.106 176.243 176.000 0.229 0.000 0.930 378 Q CA -0.001 55.888 55.803 0.143 0.000 0.893 378 Q CB 0.947 29.762 28.738 0.128 0.000 1.215 378 Q HN 0.142 nan 8.270 nan 0.000 0.425 379 E N 2.554 122.850 120.200 0.160 0.000 2.437 379 E HA 0.047 4.397 4.350 -0.001 0.000 0.263 379 E C -0.414 176.371 176.600 0.308 0.000 1.030 379 E CA 0.373 56.867 56.400 0.157 0.000 0.934 379 E CB 0.483 30.257 29.700 0.123 0.000 0.943 379 E HN 0.482 nan 8.360 nan 0.000 0.444 380 W N 1.555 122.950 121.300 0.158 0.000 3.363 380 W HA 0.383 5.043 4.660 -0.001 0.000 0.306 380 W C -1.651 174.982 176.519 0.191 0.000 1.253 380 W CA -1.091 56.347 57.345 0.154 0.000 1.195 380 W CB 0.173 29.738 29.460 0.175 0.000 1.366 380 W HN 0.573 nan 8.180 nan 0.000 0.551 381 N N 1.482 120.259 118.700 0.128 0.000 2.240 381 N HA 0.566 5.305 4.740 -0.001 0.000 0.302 381 N C -1.545 174.169 175.510 0.339 0.000 1.106 381 N CA -0.689 52.352 53.050 -0.016 0.000 0.778 381 N CB 2.056 40.482 38.487 -0.102 0.000 1.431 381 N HN 0.420 nan 8.380 nan 0.000 0.479 382 N N 0.850 119.795 118.700 0.408 0.000 3.112 382 N HA 0.168 4.908 4.740 -0.001 0.000 0.231 382 N C -0.750 174.947 175.510 0.313 0.000 1.385 382 N CA -0.330 52.940 53.050 0.367 0.000 0.790 382 N CB 0.809 39.547 38.487 0.418 0.000 1.563 382 N HN 0.721 nan 8.380 nan 0.000 0.613 383 R N 0.301 120.910 120.500 0.183 0.000 2.328 383 R HA 0.083 4.423 4.340 -0.001 0.000 0.207 383 R C 1.169 177.553 176.300 0.140 0.000 1.056 383 R CA 0.727 56.928 56.100 0.168 0.000 1.016 383 R CB 0.141 30.527 30.300 0.143 0.000 0.872 383 R HN 0.319 nan 8.270 nan 0.000 0.471 384 S N 0.703 116.475 115.700 0.121 0.000 2.474 384 S HA 0.003 4.473 4.470 -0.001 0.000 0.235 384 S C 1.409 176.068 174.600 0.098 0.000 0.997 384 S CA 0.800 59.045 58.200 0.075 0.000 0.949 384 S CB 0.085 63.322 63.200 0.063 0.000 0.766 384 S HN 0.301 nan 8.310 nan 0.000 0.517 385 L N 0.683 122.019 121.223 0.188 0.000 2.640 385 L HA 0.242 4.581 4.340 -0.001 0.000 0.230 385 L C 0.923 177.971 176.870 0.297 0.000 1.123 385 L CA -0.074 54.916 54.840 0.250 0.000 0.900 385 L CB -0.118 42.082 42.059 0.234 0.000 1.146 385 L HN 0.241 nan 8.230 nan 0.000 0.484 386 Q N 1.696 121.644 119.800 0.247 0.000 2.274 386 Q HA 0.006 4.346 4.340 -0.001 0.000 0.280 386 Q C -0.542 175.571 176.000 0.188 0.000 1.047 386 Q CA -0.035 55.901 55.803 0.222 0.000 0.907 386 Q CB 0.773 29.637 28.738 0.211 0.000 1.171 386 Q HN 0.176 nan 8.270 nan 0.000 0.381 387 D N 2.148 122.651 120.400 0.172 0.000 2.377 387 D HA 0.094 4.734 4.640 -0.001 0.000 0.245 387 D C -0.391 175.971 176.300 0.104 0.000 1.196 387 D CA -0.260 53.806 54.000 0.110 0.000 0.962 387 D CB 0.979 41.794 40.800 0.024 0.000 1.127 387 D HN 0.317 nan 8.370 nan 0.000 0.471 388 V N 2.159 122.125 119.914 0.087 0.000 2.450 388 V HA 0.029 4.148 4.120 -0.001 0.000 0.281 388 V C 0.685 176.930 176.094 0.250 0.000 1.019 388 V CA 0.149 62.543 62.300 0.158 0.000 1.062 388 V CB -0.390 31.578 31.823 0.241 0.000 0.979 388 V HN 0.210 nan 8.190 nan 0.000 0.477 389 L N 6.718 128.063 121.223 0.203 0.000 2.400 389 L HA 0.499 4.838 4.340 -0.001 0.000 0.264 389 L C -2.215 174.611 176.870 -0.075 0.000 1.061 389 L CA -2.238 52.739 54.840 0.228 0.000 0.799 389 L CB 0.907 43.085 42.059 0.199 0.000 1.240 389 L HN 0.344 nan 8.230 nan 0.000 0.461 390 P HA -0.027 nan 4.420 nan 0.000 0.260 390 P C 0.488 177.184 177.300 -1.006 0.000 1.185 390 P CA 0.343 62.863 63.100 -0.968 0.000 0.763 390 P CB 0.437 31.850 31.700 -0.479 0.000 0.776 391 T N 1.861 115.714 114.554 -1.170 0.000 2.680 391 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 391 T C 0.373 174.426 174.700 -1.078 0.000 1.033 391 T CA 1.333 62.673 62.100 -1.265 0.000 1.152 391 T CB -0.266 67.661 68.868 -1.570 0.000 0.859 391 T HN 0.426 nan 8.240 nan 0.000 0.452 392 W N 1.672 122.716 121.300 -0.426 0.000 2.529 392 W HA 0.531 5.191 4.660 -0.000 0.000 0.321 392 W C -0.163 176.086 176.519 -0.450 0.000 1.047 392 W CA -0.980 56.208 57.345 -0.263 0.000 1.216 392 W CB 0.605 29.982 29.460 -0.138 0.000 1.357 392 W HN -0.128 nan 8.180 nan 0.000 0.489 393 R N 2.944 123.314 120.500 -0.217 0.000 2.513 393 R HA 0.287 4.626 4.340 -0.001 0.000 0.283 393 R C -1.389 174.752 176.300 -0.266 0.000 1.535 393 R CA -0.379 55.177 56.100 -0.907 0.000 1.315 393 R CB 0.719 30.493 30.300 -0.876 0.000 1.163 393 R HN 0.457 nan 8.270 nan 0.000 0.573 394 W N 2.311 123.692 121.300 0.135 0.000 3.032 394 W HA 0.549 5.209 4.660 -0.001 0.000 0.335 394 W C -0.081 176.429 176.519 -0.015 0.000 1.154 394 W CA -0.638 56.736 57.345 0.049 0.000 1.204 394 W CB 1.682 31.135 29.460 -0.011 0.000 1.416 394 W HN 0.173 nan 8.180 nan 0.000 0.521 395 I N 3.266 123.925 120.570 0.148 0.000 2.390 395 I HA 0.265 4.435 4.170 -0.001 0.000 0.283 395 I C -0.454 175.499 176.117 -0.274 0.000 1.016 395 I CA -0.651 60.582 61.300 -0.111 0.000 1.151 395 I CB 0.809 38.645 38.000 -0.273 0.000 1.293 395 I HN 0.415 nan 8.210 nan 0.000 0.458 396 Q N 5.204 124.838 119.800 -0.277 0.000 2.416 396 Q HA 0.619 4.958 4.340 -0.001 0.000 0.279 396 Q C -1.191 174.547 176.000 -0.437 0.000 1.101 396 Q CA -1.056 54.560 55.803 -0.312 0.000 0.830 396 Q CB 2.619 31.358 28.738 0.001 0.000 1.402 396 Q HN 0.432 nan 8.270 nan 0.000 0.445 397 H N -0.120 118.956 119.070 0.010 0.000 2.689 397 H HA 0.576 5.132 4.556 -0.000 0.000 0.346 397 H C 0.197 175.535 175.328 0.017 0.000 1.037 397 H CA 0.032 56.077 56.048 -0.005 0.000 1.234 397 H CB 1.665 31.402 29.762 -0.041 0.000 1.572 397 H HN 0.942 nan 8.280 nan 0.000 0.524 398 G N 1.159 110.034 108.800 0.125 0.000 2.787 398 G HA2 0.286 4.246 3.960 -0.001 0.000 0.685 398 G HA3 0.286 4.246 3.960 -0.001 0.000 0.685 398 G C 0.258 175.173 174.900 0.025 0.000 1.437 398 G CA -0.050 45.086 45.100 0.060 0.000 0.872 398 G HN 1.416 nan 8.290 nan 0.000 0.566 399 G N -0.331 108.455 108.800 -0.023 0.000 2.860 399 G HA2 0.309 4.268 3.960 -0.001 0.000 0.553 399 G HA3 0.309 4.268 3.960 -0.001 0.000 0.553 399 G C -0.184 174.675 174.900 -0.068 0.000 1.439 399 G CA 0.946 46.002 45.100 -0.074 0.000 0.879 399 G HN 2.236 nan 8.290 nan 0.000 0.545 400 D N -0.236 120.101 120.400 -0.105 0.000 2.551 400 D HA 0.525 5.165 4.640 -0.001 0.000 0.294 400 D C -0.068 176.141 176.300 -0.150 0.000 1.201 400 D CA -0.469 53.472 54.000 -0.099 0.000 0.941 400 D CB 0.085 40.830 40.800 -0.091 0.000 0.995 400 D HN 0.353 nan 8.370 nan 0.000 0.502 401 L N 1.474 122.612 121.223 -0.141 0.000 2.322 401 L HA 0.598 4.938 4.340 -0.001 0.000 0.269 401 L C 0.038 176.827 176.870 -0.134 0.000 1.012 401 L CA -0.938 53.772 54.840 -0.216 0.000 0.815 401 L CB 1.730 43.619 42.059 -0.284 0.000 1.295 401 L HN 0.308 nan 8.230 nan 0.000 0.438 402 E N 1.043 121.100 120.200 -0.238 0.000 2.288 402 E HA 0.819 5.168 4.350 -0.001 0.000 0.268 402 E C -1.730 174.827 176.600 -0.072 0.000 0.885 402 E CA -0.883 55.422 56.400 -0.159 0.000 0.767 402 E CB 2.163 31.732 29.700 -0.217 0.000 1.220 402 E HN 0.678 nan 8.360 nan 0.000 0.427 403 A N 2.676 125.326 122.820 -0.282 0.000 2.355 403 A HA 0.727 5.046 4.320 -0.001 0.000 0.317 403 A C -0.591 176.399 177.584 -0.990 0.000 1.094 403 A CA -0.323 51.301 52.037 -0.689 0.000 0.764 403 A CB 2.056 20.344 19.000 -1.188 0.000 1.230 403 A HN 0.578 nan 8.150 nan 0.000 0.448 404 T N 0.523 114.643 114.554 -0.722 0.000 2.739 404 T HA 0.608 4.958 4.350 -0.001 0.000 0.303 404 T C -1.544 172.909 174.700 -0.412 0.000 1.389 404 T CA -0.415 61.485 62.100 -0.334 0.000 1.001 404 T CB 0.353 69.235 68.868 0.023 0.000 1.436 404 T HN 0.398 nan 8.240 nan 0.000 0.500 405 F N 2.184 122.110 119.950 -0.040 0.000 2.384 405 F HA 0.610 5.137 4.527 -0.001 0.000 0.338 405 F C 1.068 176.519 175.800 -0.582 0.000 1.103 405 F CA -0.143 57.636 58.000 -0.368 0.000 1.157 405 F CB 1.583 40.240 39.000 -0.572 0.000 1.167 405 F HN 0.414 nan 8.300 nan 0.000 0.529 406 S N 2.998 118.487 115.700 -0.352 0.000 2.482 406 S HA 0.380 4.850 4.470 -0.001 0.000 0.303 406 S C -0.342 174.049 174.600 -0.348 0.000 1.091 406 S CA -0.633 57.455 58.200 -0.187 0.000 1.057 406 S CB 0.725 64.021 63.200 0.160 0.000 1.031 406 S HN 0.701 nan 8.310 nan 0.000 0.485 407 W N 2.317 123.724 121.300 0.178 0.000 2.991 407 W HA 0.290 4.950 4.660 -0.001 0.000 0.391 407 W C 0.761 177.298 176.519 0.031 0.000 1.054 407 W CA -0.302 57.112 57.345 0.116 0.000 1.856 407 W CB 0.332 29.877 29.460 0.142 0.000 1.132 407 W HN 0.717 nan 8.180 nan 0.000 0.601 408 E N 0.504 120.793 120.200 0.148 0.000 2.250 408 E HA 0.004 4.354 4.350 -0.001 0.000 0.192 408 E C 0.432 177.006 176.600 -0.044 0.000 0.986 408 E CA 1.029 57.450 56.400 0.034 0.000 0.849 408 E CB 0.515 30.207 29.700 -0.014 0.000 0.797 408 E HN 0.125 nan 8.360 nan 0.000 0.482 409 E N -0.161 120.001 120.200 -0.063 0.000 2.272 409 E HA 0.670 5.020 4.350 -0.001 0.000 0.269 409 E C -1.039 175.695 176.600 0.223 0.000 0.877 409 E CA -0.730 55.660 56.400 -0.017 0.000 0.755 409 E CB 2.423 31.857 29.700 -0.444 0.000 1.192 409 E HN -0.002 nan 8.360 nan 0.000 0.422 410 A N 2.114 125.138 122.820 0.340 0.000 2.574 410 A HA 0.548 4.868 4.320 -0.001 0.000 0.297 410 A C -0.981 176.616 177.584 0.022 0.000 1.062 410 A CA -0.656 51.503 52.037 0.203 0.000 0.686 410 A CB 0.754 19.805 19.000 0.085 0.000 1.285 410 A HN 0.639 nan 8.150 nan 0.000 0.403 411 F N 0.451 120.113 119.950 -0.481 0.000 2.453 411 F HA 0.366 4.893 4.527 -0.001 0.000 0.284 411 F C 0.256 175.857 175.800 -0.332 0.000 1.065 411 F CA 0.697 58.232 58.000 -0.774 0.000 1.411 411 F CB 0.551 38.869 39.000 -1.136 0.000 1.131 411 F HN 0.479 nan 8.300 nan 0.000 0.582 412 E N 0.646 120.719 120.200 -0.212 0.000 2.265 412 E HA 0.466 4.816 4.350 -0.001 0.000 0.262 412 E C 0.147 176.563 176.600 -0.306 0.000 0.889 412 E CA 0.335 56.564 56.400 -0.285 0.000 0.789 412 E CB 1.210 30.688 29.700 -0.371 0.000 1.221 412 E HN 0.461 nan 8.360 nan 0.000 0.414 413 G N 2.487 110.824 108.800 -0.771 0.000 2.503 413 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.235 413 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.235 413 G C 0.463 174.978 174.900 -0.641 0.000 1.179 413 G CA -0.051 44.298 45.100 -1.252 0.000 0.944 413 G HN 0.677 nan 8.290 nan 0.000 0.580 414 G N -0.404 108.444 108.800 0.080 0.000 3.651 414 G HA2 0.684 4.644 3.960 -0.001 0.000 0.267 414 G HA3 0.684 4.644 3.960 -0.001 0.000 0.267 414 G C 0.285 175.386 174.900 0.336 0.000 1.009 414 G CA 1.597 46.916 45.100 0.366 0.000 0.866 414 G HN 2.005 nan 8.290 nan 0.000 0.488 415 S N -0.382 115.448 115.700 0.216 0.000 2.607 415 S HA 0.837 5.307 4.470 -0.001 0.000 0.273 415 S C -0.598 174.100 174.600 0.162 0.000 1.148 415 S CA -0.157 58.076 58.200 0.055 0.000 0.833 415 S CB 2.069 65.185 63.200 -0.140 0.000 1.130 415 S HN 0.755 nan 8.310 nan 0.000 0.470 416 S N 0.262 116.043 115.700 0.134 0.000 2.697 416 S HA 0.769 5.238 4.470 -0.001 0.000 0.289 416 S C -1.247 173.400 174.600 0.078 0.000 1.149 416 S CA -0.942 57.400 58.200 0.237 0.000 0.850 416 S CB 1.088 64.528 63.200 0.399 0.000 1.151 416 S HN 1.217 nan 8.310 nan 0.000 0.491 417 L N 1.719 122.808 121.223 -0.223 0.000 2.257 417 L HA 0.509 4.848 4.340 -0.001 0.000 0.290 417 L C -0.078 176.612 176.870 -0.300 0.000 1.044 417 L CA -0.033 54.513 54.840 -0.491 0.000 0.810 417 L CB 0.867 42.310 42.059 -1.026 0.000 1.193 417 L HN 0.884 nan 8.230 nan 0.000 0.425 418 Q N 4.428 124.050 119.800 -0.297 0.000 2.278 418 Q HA 0.276 4.615 4.340 -0.001 0.000 0.257 418 Q C -1.933 173.981 176.000 -0.142 0.000 0.928 418 Q CA -0.602 55.031 55.803 -0.283 0.000 0.932 418 Q CB 0.975 29.537 28.738 -0.294 0.000 1.221 418 Q HN 0.759 nan 8.270 nan 0.000 0.434 419 W N 6.031 127.167 121.300 -0.272 0.000 2.543 419 W HA 0.335 4.994 4.660 -0.001 0.000 0.318 419 W C -1.696 174.835 176.519 0.021 0.000 1.002 419 W CA -0.461 56.796 57.345 -0.146 0.000 1.302 419 W CB 0.425 29.785 29.460 -0.167 0.000 1.299 419 W HN 0.827 nan 8.180 nan 0.000 0.424 420 H N 3.314 122.266 119.070 -0.197 0.000 3.046 420 H HA 0.879 5.435 4.556 -0.001 0.000 0.361 420 H C 0.069 175.269 175.328 -0.214 0.000 1.235 420 H CA -0.486 55.414 56.048 -0.247 0.000 1.146 420 H CB 1.730 31.359 29.762 -0.220 0.000 1.859 420 H HN 0.762 nan 8.280 nan 0.000 0.548 421 G N 0.205 108.825 108.800 -0.300 0.000 2.288 421 G HA2 0.193 4.152 3.960 -0.001 0.000 0.227 421 G HA3 0.193 4.152 3.960 -0.001 0.000 0.227 421 G C -1.437 173.327 174.900 -0.227 0.000 1.339 421 G CA -0.414 44.504 45.100 -0.302 0.000 1.057 421 G HN 0.743 nan 8.290 nan 0.000 0.470 422 S N -0.121 115.453 115.700 -0.211 0.000 2.462 422 S HA 0.697 5.166 4.470 -0.001 0.000 0.294 422 S C -0.889 173.595 174.600 -0.195 0.000 1.144 422 S CA -0.271 57.817 58.200 -0.186 0.000 1.088 422 S CB 1.421 64.536 63.200 -0.143 0.000 1.009 422 S HN 1.038 nan 8.310 nan 0.000 0.484 423 L N 3.626 124.731 121.223 -0.196 0.000 2.504 423 L HA 0.649 4.988 4.340 -0.001 0.000 0.265 423 L C -0.063 176.713 176.870 -0.155 0.000 0.975 423 L CA -0.289 54.444 54.840 -0.179 0.000 0.864 423 L CB 0.896 42.832 42.059 -0.205 0.000 1.212 423 L HN 0.727 nan 8.230 nan 0.000 0.416 424 A N 3.410 126.151 122.820 -0.132 0.000 2.425 424 A HA 0.290 4.610 4.320 -0.001 0.000 0.242 424 A C 0.269 177.780 177.584 -0.122 0.000 1.077 424 A CA -0.207 51.759 52.037 -0.118 0.000 0.781 424 A CB 0.071 19.012 19.000 -0.098 0.000 1.020 424 A HN 0.767 nan 8.150 nan 0.000 0.494 425 E N 0.307 120.442 120.200 -0.109 0.000 2.529 425 E HA 0.287 4.637 4.350 -0.001 0.000 0.259 425 E C 1.303 177.830 176.600 -0.122 0.000 0.966 425 E CA 1.132 57.468 56.400 -0.105 0.000 0.937 425 E CB -0.072 29.578 29.700 -0.083 0.000 0.923 425 E HN 1.475 nan 8.360 nan 0.000 0.468 426 G N 3.550 112.258 108.800 -0.154 0.000 2.205 426 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.261 426 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.261 426 G C 0.232 174.932 174.900 -0.332 0.000 0.980 426 G CA 0.472 45.446 45.100 -0.211 0.000 0.632 426 G HN 0.648 nan 8.290 nan 0.000 0.533 427 E N 0.843 120.885 120.200 -0.262 0.000 2.366 427 E HA 0.453 4.803 4.350 -0.001 0.000 0.266 427 E C -0.197 176.217 176.600 -0.309 0.000 1.051 427 E CA -0.657 55.598 56.400 -0.242 0.000 0.884 427 E CB 0.330 29.947 29.700 -0.139 0.000 1.006 427 E HN 0.404 nan 8.360 nan 0.000 0.417 428 H N 0.978 120.012 119.070 -0.060 0.000 2.524 428 H HA 0.623 5.179 4.556 -0.001 0.000 0.353 428 H C -0.946 174.341 175.328 -0.069 0.000 1.136 428 H CA -0.638 55.366 56.048 -0.073 0.000 1.193 428 H CB 1.872 31.586 29.762 -0.079 0.000 1.558 428 H HN 0.558 nan 8.280 nan 0.000 0.515 429 A N 2.703 125.567 122.820 0.072 0.000 2.449 429 A HA 0.583 4.903 4.320 -0.001 0.000 0.302 429 A C -0.971 176.705 177.584 0.153 0.000 1.048 429 A CA -0.764 51.327 52.037 0.089 0.000 0.708 429 A CB 1.828 20.835 19.000 0.012 0.000 1.274 429 A HN 0.624 nan 8.150 nan 0.000 0.410 430 Q N 0.212 120.071 119.800 0.098 0.000 2.394 430 Q HA 0.735 5.074 4.340 -0.001 0.000 0.273 430 Q C -1.074 174.814 176.000 -0.188 0.000 1.089 430 Q CA -0.264 55.471 55.803 -0.114 0.000 0.812 430 Q CB 2.941 31.468 28.738 -0.353 0.000 1.353 430 Q HN 0.728 nan 8.270 nan 0.000 0.438 431 I N 0.689 120.972 120.570 -0.478 0.000 2.468 431 I HA 0.340 4.510 4.170 -0.001 0.000 0.285 431 I C -1.127 174.728 176.117 -0.437 0.000 1.039 431 I CA -0.533 60.416 61.300 -0.584 0.000 1.074 431 I CB 1.243 38.568 38.000 -1.125 0.000 1.228 431 I HN 0.616 nan 8.210 nan 0.000 0.436 432 E N 7.152 127.129 120.200 -0.372 0.000 2.194 432 E HA 0.261 4.611 4.350 -0.001 0.000 0.284 432 E C 0.118 176.815 176.600 0.161 0.000 1.035 432 E CA -0.203 56.023 56.400 -0.289 0.000 0.836 432 E CB 1.962 31.370 29.700 -0.486 0.000 1.070 432 E HN 0.679 nan 8.360 nan 0.000 0.401 433 L N 2.349 123.671 121.223 0.165 0.000 2.433 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.200 433 L C -0.122 176.514 176.870 -0.391 0.000 1.059 433 L CA 0.296 55.128 54.840 -0.013 0.000 0.835 433 L CB 0.443 42.473 42.059 -0.048 0.000 1.076 433 L HN 0.521 nan 8.230 nan 0.000 0.481 434 Y N -0.069 120.153 120.300 -0.129 0.000 2.391 434 Y HA 0.406 4.955 4.550 -0.001 0.000 0.341 434 Y C -0.075 175.512 175.900 -0.523 0.000 0.965 434 Y CA -0.934 56.882 58.100 -0.473 0.000 1.067 434 Y CB 1.683 39.970 38.460 -0.288 0.000 1.199 434 Y HN -0.054 nan 8.280 nan 0.000 0.450 435 Q N 2.527 121.880 119.800 -0.746 0.000 2.304 435 Q HA 0.493 4.832 4.340 -0.001 0.000 0.260 435 Q C -0.343 175.528 176.000 -0.214 0.000 0.965 435 Q CA -0.062 55.573 55.803 -0.280 0.000 0.898 435 Q CB 0.836 29.419 28.738 -0.258 0.000 1.196 435 Q HN 0.789 nan 8.270 nan 0.000 0.402 436 T N 0.159 114.621 114.554 -0.152 0.000 2.778 436 T HA 0.610 4.959 4.350 -0.001 0.000 0.293 436 T C -0.949 173.653 174.700 -0.163 0.000 1.144 436 T CA -0.978 60.981 62.100 -0.236 0.000 1.010 436 T CB 1.481 70.163 68.868 -0.310 0.000 1.325 436 T HN 0.590 nan 8.240 nan 0.000 0.515 437 E N 0.785 120.878 120.200 -0.179 0.000 2.874 437 E HA 0.391 4.741 4.350 -0.001 0.000 0.320 437 E C -1.636 174.896 176.600 -0.115 0.000 1.141 437 E CA -0.374 55.956 56.400 -0.117 0.000 0.774 437 E CB 0.404 30.053 29.700 -0.084 0.000 1.542 437 E HN 0.604 nan 8.360 nan 0.000 0.380 438 L N 3.979 125.133 121.223 -0.116 0.000 2.316 438 L HA 0.506 4.845 4.340 -0.001 0.000 0.280 438 L C -2.369 174.460 176.870 -0.069 0.000 1.006 438 L CA -2.225 52.558 54.840 -0.095 0.000 0.836 438 L CB 1.395 43.387 42.059 -0.112 0.000 1.221 438 L HN 0.223 nan 8.230 nan 0.000 0.418 439 P HA 0.160 nan 4.420 nan 0.000 0.271 439 P C -0.377 176.907 177.300 -0.026 0.000 1.233 439 P CA 0.175 63.258 63.100 -0.029 0.000 0.764 439 P CB 0.395 32.085 31.700 -0.017 0.000 0.825 440 I N 2.630 123.186 120.570 -0.023 0.000 2.395 440 I HA 0.245 4.414 4.170 -0.001 0.000 0.289 440 I C 0.934 177.056 176.117 0.008 0.000 1.023 440 I CA 0.161 61.452 61.300 -0.015 0.000 1.350 440 I CB 0.734 38.727 38.000 -0.011 0.000 1.409 440 I HN 0.372 nan 8.210 nan 0.000 0.507 441 S N 3.652 119.357 115.700 0.008 0.000 2.667 441 S HA 0.491 4.961 4.470 -0.001 0.000 0.292 441 S C -0.698 173.912 174.600 0.017 0.000 1.126 441 S CA -1.114 57.094 58.200 0.014 0.000 0.881 441 S CB 1.512 64.718 63.200 0.010 0.000 1.132 441 S HN 0.562 nan 8.310 nan 0.000 0.492 442 E N -0.009 120.201 120.200 0.017 0.000 2.442 442 E HA 0.402 4.752 4.350 -0.001 0.000 0.262 442 E C 1.236 177.847 176.600 0.018 0.000 1.004 442 E CA 1.263 57.673 56.400 0.017 0.000 0.928 442 E CB 0.088 29.796 29.700 0.013 0.000 0.937 442 E HN 1.181 nan 8.360 nan 0.000 0.446 443 G N 2.683 111.495 108.800 0.021 0.000 2.195 443 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.246 443 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.246 443 G C 0.380 175.294 174.900 0.023 0.000 0.984 443 G CA 0.187 45.300 45.100 0.022 0.000 0.633 443 G HN 0.527 nan 8.290 nan 0.000 0.525 444 T N 2.015 116.581 114.554 0.019 0.000 2.749 444 T HA 0.591 4.941 4.350 -0.001 0.000 0.295 444 T C 0.167 174.877 174.700 0.016 0.000 0.936 444 T CA 0.574 62.682 62.100 0.013 0.000 1.060 444 T CB 1.445 70.312 68.868 -0.002 0.000 0.904 444 T HN 0.287 nan 8.240 nan 0.000 0.500 445 S N 2.741 118.457 115.700 0.027 0.000 2.568 445 S HA 0.555 5.025 4.470 -0.001 0.000 0.302 445 S C -0.468 174.168 174.600 0.060 0.000 1.082 445 S CA -0.791 57.438 58.200 0.049 0.000 1.009 445 S CB 1.194 64.438 63.200 0.073 0.000 1.069 445 S HN 0.534 nan 8.310 nan 0.000 0.500 446 L N 3.208 124.491 121.223 0.100 0.000 2.260 446 L HA 0.422 4.761 4.340 -0.001 0.000 0.289 446 L C 0.273 177.381 176.870 0.397 0.000 1.057 446 L CA -0.217 54.740 54.840 0.196 0.000 0.811 446 L CB 0.923 43.079 42.059 0.162 0.000 1.184 446 L HN 0.780 nan 8.230 nan 0.000 0.429 447 T N -0.196 114.572 114.554 0.357 0.000 2.918 447 T HA 0.729 5.079 4.350 -0.001 0.000 0.286 447 T C -0.902 174.162 174.700 0.606 0.000 1.026 447 T CA -0.687 61.635 62.100 0.370 0.000 1.031 447 T CB 1.662 70.620 68.868 0.150 0.000 1.046 447 T HN 0.620 nan 8.240 nan 0.000 0.479 448 W N -0.361 121.094 121.300 0.258 0.000 3.137 448 W HA 0.680 5.340 4.660 -0.000 0.000 0.324 448 W C -1.903 174.795 176.519 0.298 0.000 1.253 448 W CA -1.109 56.422 57.345 0.309 0.000 1.183 448 W CB 0.841 30.608 29.460 0.511 0.000 1.424 448 W HN 0.714 nan 8.180 nan 0.000 0.566 449 T N 3.332 118.109 114.554 0.371 0.000 2.928 449 T HA 0.650 5.000 4.350 -0.001 0.000 0.296 449 T C -1.366 173.627 174.700 0.489 0.000 1.000 449 T CA -0.501 61.677 62.100 0.130 0.000 0.989 449 T CB 0.930 69.531 68.868 -0.446 0.000 1.005 449 T HN 0.687 nan 8.240 nan 0.000 0.442 450 F N -0.113 120.051 119.950 0.356 0.000 2.686 450 F HA 0.804 5.330 4.527 -0.000 0.000 0.311 450 F C -1.315 174.536 175.800 0.084 0.000 1.128 450 F CA -1.355 56.879 58.000 0.389 0.000 0.946 450 F CB 1.470 40.631 39.000 0.268 0.000 1.336 450 F HN 0.209 nan 8.300 nan 0.000 0.457 451 K N 1.014 121.284 120.400 -0.215 0.000 2.203 451 K HA 0.635 4.955 4.320 -0.001 0.000 0.251 451 K C -1.226 175.419 176.600 0.075 0.000 0.944 451 K CA -1.085 54.945 56.287 -0.429 0.000 0.829 451 K CB 1.994 34.048 32.500 -0.742 0.000 1.125 451 K HN 0.735 nan 8.250 nan 0.000 0.430 452 S N 1.870 117.561 115.700 -0.016 0.000 2.756 452 S HA 0.129 4.599 4.470 -0.001 0.000 0.303 452 S C 0.343 174.816 174.600 -0.212 0.000 1.135 452 S CA -0.633 57.532 58.200 -0.060 0.000 1.066 452 S CB 0.845 64.122 63.200 0.129 0.000 1.008 452 S HN 0.525 nan 8.310 nan 0.000 0.482 453 E N 2.715 122.718 120.200 -0.327 0.000 2.268 453 E HA -0.063 4.287 4.350 -0.001 0.000 0.195 453 E C 0.429 176.680 176.600 -0.583 0.000 0.995 453 E CA 1.081 57.212 56.400 -0.448 0.000 0.836 453 E CB -0.075 29.299 29.700 -0.543 0.000 0.763 453 E HN 0.719 nan 8.360 nan 0.000 0.491 454 H N -0.338 118.610 119.070 -0.202 0.000 2.785 454 H HA 0.135 4.691 4.556 -0.001 0.000 0.268 454 H C -0.167 175.088 175.328 -0.122 0.000 1.153 454 H CA -0.068 55.882 56.048 -0.162 0.000 1.111 454 H CB 0.897 30.544 29.762 -0.192 0.000 1.633 454 H HN -0.002 nan 8.280 nan 0.000 0.576 455 D N -0.048 120.333 120.400 -0.031 0.000 2.653 455 D HA -0.178 4.462 4.640 -0.001 0.000 0.184 455 D C 0.016 176.378 176.300 0.102 0.000 0.993 455 D CA 0.823 54.843 54.000 0.034 0.000 1.027 455 D CB -1.431 39.389 40.800 0.033 0.000 1.089 455 D HN 0.419 nan 8.370 nan 0.000 0.447 456 N N 1.870 120.606 118.700 0.061 0.000 2.292 456 N HA 0.172 4.912 4.740 -0.001 0.000 0.242 456 N C -0.009 175.727 175.510 0.377 0.000 1.243 456 N CA 0.525 53.677 53.050 0.169 0.000 0.851 456 N CB 0.412 38.998 38.487 0.165 0.000 1.093 456 N HN 0.211 nan 8.380 nan 0.000 0.450 457 D N -0.081 120.545 120.400 0.376 0.000 2.312 457 D HA 0.347 4.987 4.640 -0.001 0.000 0.248 457 D C -1.133 175.325 176.300 0.264 0.000 1.086 457 D CA -0.509 53.769 54.000 0.463 0.000 0.948 457 D CB 0.649 41.689 40.800 0.401 0.000 1.162 457 D HN 0.282 nan 8.370 nan 0.000 0.446 458 L N 3.403 124.571 121.223 -0.090 0.000 2.294 458 L HA 0.409 4.749 4.340 -0.001 0.000 0.283 458 L C -0.920 175.938 176.870 -0.020 0.000 1.015 458 L CA -0.588 53.970 54.840 -0.470 0.000 0.831 458 L CB 0.639 41.882 42.059 -1.360 0.000 1.217 458 L HN 0.281 nan 8.230 nan 0.000 0.420 459 N N 3.214 121.907 118.700 -0.013 0.000 2.513 459 N HA 0.258 4.998 4.740 -0.001 0.000 0.274 459 N C -0.607 174.859 175.510 -0.073 0.000 1.189 459 N CA -0.356 52.722 53.050 0.046 0.000 0.975 459 N CB 2.145 40.655 38.487 0.039 0.000 1.157 459 N HN 0.404 nan 8.380 nan 0.000 0.465 460 V N -0.090 119.575 119.914 -0.415 0.000 2.743 460 V HA 0.725 4.845 4.120 -0.001 0.000 0.301 460 V C 0.330 176.283 176.094 -0.235 0.000 1.057 460 V CA -0.343 61.560 62.300 -0.662 0.000 1.006 460 V CB 1.365 32.336 31.823 -1.419 0.000 1.024 460 V HN 0.731 nan 8.190 nan 0.000 0.473 461 G N 4.983 113.615 108.800 -0.279 0.000 2.530 461 G HA2 0.711 4.671 3.960 -0.001 0.000 0.316 461 G HA3 0.711 4.671 3.960 -0.001 0.000 0.316 461 G C -1.334 173.465 174.900 -0.168 0.000 1.298 461 G CA -0.529 44.309 45.100 -0.436 0.000 0.948 461 G HN 0.904 nan 8.290 nan 0.000 0.486 462 F N 0.385 120.166 119.950 -0.282 0.000 2.569 462 F HA 0.782 5.309 4.527 -0.000 0.000 0.312 462 F C -0.488 175.072 175.800 -0.401 0.000 1.109 462 F CA -1.633 56.215 58.000 -0.254 0.000 0.919 462 F CB 1.948 40.767 39.000 -0.302 0.000 1.211 462 F HN 0.502 nan 8.300 nan 0.000 0.446 463 R N 4.304 124.538 120.500 -0.444 0.000 2.393 463 R HA 0.721 5.061 4.340 -0.001 0.000 0.310 463 R C -1.595 174.524 176.300 -0.302 0.000 0.968 463 R CA -0.627 55.078 56.100 -0.657 0.000 0.867 463 R CB 1.244 30.834 30.300 -1.183 0.000 1.124 463 R HN 0.969 nan 8.270 nan 0.000 0.450 464 L N 2.652 123.736 121.223 -0.232 0.000 2.334 464 L HA 0.310 4.649 4.340 -0.001 0.000 0.275 464 L C 0.576 177.377 176.870 -0.114 0.000 1.036 464 L CA -0.913 53.856 54.840 -0.118 0.000 0.807 464 L CB 1.400 43.429 42.059 -0.049 0.000 1.231 464 L HN 0.662 nan 8.230 nan 0.000 0.438 470 F N 1.448 121.252 119.950 -0.244 0.000 2.399 470 F HA 0.396 4.923 4.527 -0.001 0.000 0.342 470 F C 1.307 176.707 175.800 -0.667 0.000 1.106 470 F CA -0.438 57.253 58.000 -0.515 0.000 1.196 470 F CB 0.864 39.432 39.000 -0.721 0.000 1.163 470 F HN -0.118 nan 8.300 nan 0.000 0.547 471 R N 3.481 123.537 120.500 -0.739 0.000 2.196 471 R HA 0.198 4.537 4.340 -0.001 0.000 0.340 471 R C -1.590 174.197 176.300 -0.856 0.000 1.043 471 R CA -0.468 55.167 56.100 -0.776 0.000 0.883 471 R CB 0.028 29.672 30.300 -1.094 0.000 1.078 471 R HN 0.547 nan 8.270 nan 0.000 0.462 472 Y N 1.873 122.013 120.300 -0.266 0.000 2.341 472 Y HA 0.321 4.870 4.550 -0.001 0.000 0.340 472 Y C 0.826 176.642 175.900 -0.141 0.000 0.997 472 Y CA -0.683 57.295 58.100 -0.202 0.000 1.149 472 Y CB 1.533 39.897 38.460 -0.160 0.000 1.171 472 Y HN 0.352 nan 8.280 nan 0.000 0.494 473 V N 0.779 120.713 119.914 0.034 0.000 3.130 473 V HA 0.712 4.832 4.120 -0.001 0.000 0.310 473 V C -0.810 175.324 176.094 0.066 0.000 1.158 473 V CA -1.275 61.065 62.300 0.066 0.000 1.029 473 V CB 2.102 34.005 31.823 0.133 0.000 1.057 473 V HN 0.765 nan 8.190 nan 0.000 0.436 474 E N 2.136 122.347 120.200 0.018 0.000 2.283 474 E HA 0.676 5.025 4.350 -0.001 0.000 0.271 474 E C 0.443 176.940 176.600 -0.171 0.000 1.031 474 E CA -0.357 55.968 56.400 -0.124 0.000 0.868 474 E CB 1.493 31.062 29.700 -0.218 0.000 1.094 474 E HN 1.223 nan 8.360 nan 0.000 0.401 475 G N 0.758 109.215 108.800 -0.572 0.000 2.732 475 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.244 475 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.244 475 G C 0.206 175.038 174.900 -0.113 0.000 1.226 475 G CA -0.033 44.877 45.100 -0.315 0.000 0.860 475 G HN 0.849 nan 8.290 nan 0.000 0.583 476 E N -1.090 119.267 120.200 0.261 0.000 2.175 476 E HA 0.074 4.424 4.350 -0.001 0.000 0.195 476 E C 0.608 177.438 176.600 0.383 0.000 0.934 476 E CA 0.142 56.703 56.400 0.269 0.000 0.870 476 E CB 0.292 30.108 29.700 0.194 0.000 0.838 476 E HN 0.363 nan 8.360 nan 0.000 0.474 477 Q N 0.932 120.955 119.800 0.372 0.000 2.333 477 Q HA 0.278 4.617 4.340 -0.001 0.000 0.268 477 Q C -1.331 174.692 176.000 0.038 0.000 1.007 477 Q CA -0.457 55.464 55.803 0.197 0.000 0.810 477 Q CB 1.483 30.280 28.738 0.099 0.000 1.264 477 Q HN -0.025 nan 8.270 nan 0.000 0.452 478 R N 2.486 122.842 120.500 -0.239 0.000 2.486 478 R HA 0.506 4.846 4.340 -0.001 0.000 0.286 478 R C -0.987 175.069 176.300 -0.407 0.000 0.999 478 R CA -0.217 55.449 56.100 -0.722 0.000 0.993 478 R CB 1.146 30.837 30.300 -1.014 0.000 1.084 478 R HN 0.777 nan 8.270 nan 0.000 0.487 479 E N 1.727 121.671 120.200 -0.427 0.000 2.331 479 E HA 0.249 4.599 4.350 -0.001 0.000 0.275 479 E C -1.606 174.844 176.600 -0.250 0.000 0.895 479 E CA -0.584 55.662 56.400 -0.257 0.000 0.753 479 E CB 2.115 31.718 29.700 -0.162 0.000 1.216 479 E HN 0.557 nan 8.360 nan 0.000 0.434 480 S N 3.631 119.230 115.700 -0.169 0.000 2.462 480 S HA 0.548 5.017 4.470 -0.001 0.000 0.294 480 S C -0.306 174.271 174.600 -0.038 0.000 1.144 480 S CA -0.490 57.635 58.200 -0.126 0.000 1.088 480 S CB 0.440 63.572 63.200 -0.114 0.000 1.009 480 S HN 0.369 nan 8.310 nan 0.000 0.484 481 I N 3.167 123.757 120.570 0.032 0.000 2.517 481 I HA 0.291 4.461 4.170 -0.001 0.000 0.280 481 I C -0.447 175.816 176.117 0.244 0.000 1.061 481 I CA -0.688 60.693 61.300 0.136 0.000 1.091 481 I CB 1.239 39.371 38.000 0.220 0.000 1.205 481 I HN 0.512 nan 8.210 nan 0.000 0.459 482 N N 4.961 123.761 118.700 0.166 0.000 2.708 482 N HA -0.226 4.513 4.740 -0.001 0.000 0.251 482 N C 0.996 176.657 175.510 0.251 0.000 1.017 482 N CA 1.492 54.657 53.050 0.190 0.000 0.742 482 N CB -0.678 37.932 38.487 0.206 0.000 0.943 482 N HN 1.205 nan 8.380 nan 0.000 0.539 483 G N -2.982 105.888 108.800 0.117 0.000 2.194 483 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.236 483 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.236 483 G C -0.214 174.582 174.900 -0.174 0.000 0.987 483 G CA 0.142 45.219 45.100 -0.039 0.000 0.635 483 G HN 0.303 nan 8.290 nan 0.000 0.520 484 W N 1.133 122.361 121.300 -0.120 0.000 2.449 484 W HA 0.678 5.337 4.660 -0.001 0.000 0.331 484 W C 0.328 176.610 176.519 -0.394 0.000 1.119 484 W CA -0.285 56.907 57.345 -0.255 0.000 1.240 484 W CB 1.360 30.668 29.460 -0.253 0.000 1.251 484 W HN 0.019 nan 8.180 nan 0.000 0.576 485 T N 2.795 117.095 114.554 -0.423 0.000 2.749 485 T HA 0.252 4.602 4.350 -0.001 0.000 0.287 485 T C -0.721 173.672 174.700 -0.512 0.000 0.970 485 T CA -0.620 61.118 62.100 -0.603 0.000 0.980 485 T CB 0.975 69.264 68.868 -0.966 0.000 0.924 485 T HN 0.338 nan 8.240 nan 0.000 0.456 486 Q N 2.962 122.487 119.800 -0.458 0.000 2.348 486 Q HA 0.331 4.671 4.340 -0.001 0.000 0.265 486 Q C -1.416 174.290 176.000 -0.490 0.000 0.998 486 Q CA -0.745 54.831 55.803 -0.378 0.000 0.831 486 Q CB 0.964 29.549 28.738 -0.256 0.000 1.251 486 Q HN 0.669 nan 8.270 nan 0.000 0.456 487 W N 2.182 123.148 121.300 -0.557 0.000 2.376 487 W HA 0.386 5.045 4.660 -0.000 0.000 0.322 487 W C -0.122 176.072 176.519 -0.541 0.000 1.160 487 W CA -0.411 56.511 57.345 -0.705 0.000 1.218 487 W CB 1.926 30.507 29.460 -1.465 0.000 1.205 487 W HN 0.381 nan 8.180 nan 0.000 0.559 488 T N 4.120 118.707 114.554 0.055 0.000 2.812 488 T HA 0.417 4.767 4.350 -0.001 0.000 0.282 488 T C -1.477 173.349 174.700 0.210 0.000 0.990 488 T CA -0.616 61.552 62.100 0.113 0.000 0.960 488 T CB 0.893 69.812 68.868 0.086 0.000 0.948 488 T HN 0.217 nan 8.240 nan 0.000 0.438 489 L N 6.425 127.819 121.223 0.284 0.000 2.353 489 L HA 0.534 4.873 4.340 -0.001 0.000 0.270 489 L C -2.774 174.204 176.870 0.180 0.000 1.003 489 L CA -2.068 52.943 54.840 0.285 0.000 0.862 489 L CB 1.069 43.387 42.059 0.431 0.000 1.221 489 L HN 0.279 nan 8.230 nan 0.000 0.430 490 P HA 0.144 nan 4.420 nan 0.000 0.268 490 P C -0.048 177.314 177.300 0.103 0.000 1.205 490 P CA 0.241 63.403 63.100 0.102 0.000 0.771 490 P CB 0.639 32.394 31.700 0.093 0.000 0.858 491 L N 1.685 122.952 121.223 0.073 0.000 3.014 491 L HA 0.151 4.490 4.340 -0.001 0.000 0.263 491 L C 0.781 177.741 176.870 0.149 0.000 1.207 491 L CA 0.134 55.041 54.840 0.111 0.000 1.017 491 L CB -0.073 41.946 42.059 -0.067 0.000 1.360 491 L HN 0.217 nan 8.230 nan 0.000 0.560 492 D N 1.566 122.015 120.400 0.083 0.000 2.149 492 D HA -0.213 4.426 4.640 -0.001 0.000 0.198 492 D C 2.261 178.565 176.300 0.005 0.000 0.990 492 D CA 1.416 55.441 54.000 0.043 0.000 0.839 492 D CB 0.081 40.897 40.800 0.025 0.000 0.948 492 D HN 0.335 nan 8.370 nan 0.000 0.460 493 A N -0.665 122.125 122.820 -0.049 0.000 2.186 493 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 493 A C 1.148 178.479 177.584 -0.422 0.000 1.159 493 A CA 0.881 52.765 52.037 -0.254 0.000 0.680 493 A CB -0.627 18.144 19.000 -0.382 0.000 0.787 493 A HN 0.273 nan 8.150 nan 0.000 0.467 494 F N -1.010 118.932 119.950 -0.013 0.000 2.688 494 F HA 0.449 4.976 4.527 -0.001 0.000 0.310 494 F C 1.287 177.072 175.800 -0.025 0.000 1.098 494 F CA -0.265 57.727 58.000 -0.015 0.000 1.228 494 F CB 0.115 39.094 39.000 -0.035 0.000 1.042 494 F HN 0.160 nan 8.300 nan 0.000 0.557 495 A N 0.500 123.381 122.820 0.101 0.000 2.565 495 A HA 0.358 4.678 4.320 -0.001 0.000 0.237 495 A C 1.578 179.190 177.584 0.048 0.000 1.053 495 A CA 1.187 53.259 52.037 0.057 0.000 0.755 495 A CB -0.683 18.334 19.000 0.028 0.000 0.980 495 A HN 1.050 nan 8.150 nan 0.000 0.506 496 G N 0.843 109.665 108.800 0.038 0.000 2.234 496 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.235 496 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.235 496 G C 0.306 175.228 174.900 0.037 0.000 0.997 496 G CA 0.406 45.524 45.100 0.029 0.000 0.623 496 G HN 0.887 nan 8.290 nan 0.000 0.514 497 Q N 0.319 120.156 119.800 0.062 0.000 2.249 497 Q HA 0.624 4.964 4.340 -0.001 0.000 0.226 497 Q C -0.556 175.453 176.000 0.015 0.000 0.983 497 Q CA 0.210 56.050 55.803 0.061 0.000 0.930 497 Q CB 1.298 30.118 28.738 0.137 0.000 1.193 497 Q HN 0.206 nan 8.270 nan 0.000 0.508 498 T N 1.137 115.686 114.554 -0.008 0.000 2.840 498 T HA 0.477 4.826 4.350 -0.001 0.000 0.287 498 T C 0.094 174.754 174.700 -0.066 0.000 0.991 498 T CA -0.496 61.580 62.100 -0.039 0.000 0.964 498 T CB 0.571 69.417 68.868 -0.036 0.000 0.954 498 T HN 0.310 nan 8.240 nan 0.000 0.438 499 I N 3.375 123.889 120.570 -0.093 0.000 2.471 499 I HA 0.176 4.345 4.170 -0.001 0.000 0.286 499 I C 1.594 177.643 176.117 -0.114 0.000 1.079 499 I CA -0.010 61.225 61.300 -0.109 0.000 1.398 499 I CB 1.132 39.054 38.000 -0.131 0.000 1.403 499 I HN 0.774 nan 8.210 nan 0.000 0.530 500 T N 0.827 115.306 114.554 -0.125 0.000 3.040 500 T HA 0.432 4.781 4.350 -0.001 0.000 0.266 500 T C 0.350 174.998 174.700 -0.086 0.000 1.005 500 T CA -0.254 61.781 62.100 -0.109 0.000 0.906 500 T CB 0.356 69.164 68.868 -0.100 0.000 1.082 500 T HN 0.773 nan 8.240 nan 0.000 0.531 501 G N 0.721 109.460 108.800 -0.101 0.000 2.702 501 G HA2 0.576 4.536 3.960 -0.001 0.000 0.296 501 G HA3 0.576 4.536 3.960 -0.001 0.000 0.296 501 G C -1.985 173.021 174.900 0.177 0.000 1.463 501 G CA -0.887 44.249 45.100 0.061 0.000 0.890 501 G HN 0.313 nan 8.290 nan 0.000 0.534 502 L N 0.572 121.987 121.223 0.319 0.000 2.370 502 L HA 0.926 5.266 4.340 -0.001 0.000 0.266 502 L C 0.297 177.239 176.870 0.119 0.000 1.002 502 L CA -0.900 54.045 54.840 0.175 0.000 0.818 502 L CB 2.149 44.237 42.059 0.049 0.000 1.325 502 L HN 0.928 nan 8.230 nan 0.000 0.418 503 A N 1.541 124.236 122.820 -0.208 0.000 2.581 503 A HA 0.892 5.211 4.320 -0.001 0.000 0.290 503 A C -1.948 175.242 177.584 -0.656 0.000 1.119 503 A CA -0.388 51.405 52.037 -0.407 0.000 0.670 503 A CB 1.568 20.249 19.000 -0.532 0.000 1.280 503 A HN 0.405 nan 8.150 nan 0.000 0.425 504 F N -0.911 118.915 119.950 -0.207 0.000 2.603 504 F HA 0.861 5.387 4.527 -0.001 0.000 0.317 504 F C 0.488 176.139 175.800 -0.248 0.000 1.066 504 F CA -0.098 57.739 58.000 -0.271 0.000 0.941 504 F CB 2.491 41.233 39.000 -0.430 0.000 1.291 504 F HN 1.006 nan 8.300 nan 0.000 0.472 505 A N 0.765 123.604 122.820 0.033 0.000 2.572 505 A HA 0.976 5.295 4.320 -0.001 0.000 0.295 505 A C -1.770 175.805 177.584 -0.014 0.000 1.072 505 A CA -0.371 51.604 52.037 -0.103 0.000 0.691 505 A CB 1.573 20.184 19.000 -0.647 0.000 1.291 505 A HN 1.326 nan 8.150 nan 0.000 0.404 506 A N 0.519 123.351 122.820 0.019 0.000 2.556 506 A HA 0.816 5.136 4.320 -0.001 0.000 0.294 506 A C -0.913 176.718 177.584 0.077 0.000 1.091 506 A CA -0.364 51.678 52.037 0.007 0.000 0.704 506 A CB 1.424 20.377 19.000 -0.078 0.000 1.300 506 A HN 0.916 nan 8.150 nan 0.000 0.406 507 E N 0.722 120.984 120.200 0.103 0.000 2.187 507 E HA 0.532 4.881 4.350 -0.001 0.000 0.268 507 E C 0.332 176.916 176.600 -0.028 0.000 0.896 507 E CA -0.552 55.864 56.400 0.026 0.000 0.766 507 E CB 1.527 31.256 29.700 0.049 0.000 1.142 507 E HN 0.979 nan 8.360 nan 0.000 0.408 508 G N 3.061 111.798 108.800 -0.105 0.000 2.544 508 G HA2 0.163 4.123 3.960 -0.001 0.000 0.242 508 G HA3 0.163 4.123 3.960 -0.001 0.000 0.242 508 G C -0.202 174.644 174.900 -0.090 0.000 1.247 508 G CA -0.317 44.719 45.100 -0.107 0.000 0.840 508 G HN 0.698 nan 8.290 nan 0.000 0.578 509 N N -1.217 117.434 118.700 -0.082 0.000 3.100 509 N HA 0.177 4.917 4.740 -0.001 0.000 0.344 509 N C 0.992 176.454 175.510 -0.080 0.000 1.413 509 N CA -0.526 52.486 53.050 -0.063 0.000 0.752 509 N CB 0.783 39.251 38.487 -0.032 0.000 1.519 509 N HN 0.494 nan 8.380 nan 0.000 0.620 510 E N -0.809 119.354 120.200 -0.062 0.000 2.160 510 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 510 E C 0.773 177.320 176.600 -0.089 0.000 0.991 510 E CA 1.646 58.006 56.400 -0.065 0.000 0.810 510 E CB -0.302 29.371 29.700 -0.046 0.000 0.742 510 E HN 0.630 nan 8.360 nan 0.000 0.466 511 T N -0.592 113.898 114.554 -0.107 0.000 2.737 511 T HA -0.147 4.202 4.350 -0.001 0.000 0.269 511 T C 1.408 175.982 174.700 -0.209 0.000 1.040 511 T CA 1.652 63.652 62.100 -0.167 0.000 1.142 511 T CB -0.598 68.138 68.868 -0.220 0.000 0.861 511 T HN 0.607 nan 8.240 nan 0.000 0.456 512 G N -0.016 108.670 108.800 -0.190 0.000 2.184 512 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.264 512 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.264 512 G C -0.123 174.630 174.900 -0.244 0.000 0.975 512 G CA 0.168 45.156 45.100 -0.187 0.000 0.642 512 G HN 0.446 nan 8.290 nan 0.000 0.536 513 L N 0.339 121.341 121.223 -0.368 0.000 2.333 513 L HA 0.940 5.280 4.340 -0.001 0.000 0.269 513 L C 0.333 176.989 176.870 -0.356 0.000 1.010 513 L CA -0.740 53.828 54.840 -0.454 0.000 0.818 513 L CB 1.792 43.335 42.059 -0.860 0.000 1.306 513 L HN 0.737 nan 8.230 nan 0.000 0.430 514 A N 1.895 124.578 122.820 -0.229 0.000 2.393 514 A HA 0.772 5.092 4.320 -0.001 0.000 0.306 514 A C -0.880 176.569 177.584 -0.226 0.000 1.050 514 A CA -0.417 51.462 52.037 -0.264 0.000 0.724 514 A CB 1.373 20.181 19.000 -0.321 0.000 1.248 514 A HN 0.688 nan 8.150 nan 0.000 0.424 515 E N 2.348 122.305 120.200 -0.404 0.000 2.528 515 E HA 0.490 4.840 4.350 -0.001 0.000 0.277 515 E C -1.887 174.383 176.600 -0.551 0.000 0.980 515 E CA -0.186 56.000 56.400 -0.358 0.000 0.796 515 E CB 0.631 30.194 29.700 -0.229 0.000 1.427 515 E HN 0.508 nan 8.360 nan 0.000 0.394 516 F N 2.341 122.136 119.950 -0.258 0.000 2.425 516 F HA 0.487 5.013 4.527 -0.001 0.000 0.331 516 F C -0.434 175.115 175.800 -0.417 0.000 1.085 516 F CA -0.502 57.397 58.000 -0.170 0.000 1.028 516 F CB 1.028 40.007 39.000 -0.035 0.000 1.177 516 F HN 0.314 nan 8.300 nan 0.000 0.487 517 Y N 0.168 120.579 120.300 0.185 0.000 2.338 517 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 517 Y C 0.048 176.127 175.900 0.298 0.000 0.968 517 Y CA -0.964 57.212 58.100 0.128 0.000 1.123 517 Y CB 2.264 40.732 38.460 0.012 0.000 1.165 517 Y HN 0.516 nan 8.280 nan 0.000 0.452 518 T N 1.072 115.820 114.554 0.324 0.000 2.792 518 T HA 0.565 4.915 4.350 -0.001 0.000 0.280 518 T C 0.572 175.495 174.700 0.371 0.000 0.990 518 T CA -0.203 62.093 62.100 0.327 0.000 0.960 518 T CB 0.834 69.652 68.868 -0.084 0.000 0.939 518 T HN 0.872 nan 8.240 nan 0.000 0.439 519 G N 3.066 112.164 108.800 0.497 0.000 3.274 519 G HA2 0.394 4.354 3.960 -0.001 0.000 0.250 519 G HA3 0.394 4.354 3.960 -0.001 0.000 0.250 519 G C 0.022 175.127 174.900 0.342 0.000 1.024 519 G CA -0.105 45.206 45.100 0.352 0.000 0.840 519 G HN 0.863 nan 8.290 nan 0.000 0.522 520 Q N -0.676 119.312 119.800 0.313 0.000 2.438 520 Q HA 0.671 5.011 4.340 -0.001 0.000 0.272 520 Q C -2.261 173.851 176.000 0.187 0.000 0.994 520 Q CA -0.893 54.901 55.803 -0.014 0.000 0.887 520 Q CB 1.953 30.599 28.738 -0.153 0.000 1.432 520 Q HN 0.197 nan 8.270 nan 0.000 0.392 521 L N 1.858 123.044 121.223 -0.061 0.000 2.482 521 L HA 1.040 5.379 4.340 -0.001 0.000 0.263 521 L C -2.040 174.722 176.870 -0.180 0.000 0.957 521 L CA 0.101 55.007 54.840 0.109 0.000 0.836 521 L CB 2.295 44.501 42.059 0.245 0.000 1.324 521 L HN 1.079 nan 8.230 nan 0.000 0.406 522 A N 3.676 126.475 122.820 -0.034 0.000 2.577 522 A HA 0.771 5.091 4.320 -0.001 0.000 0.297 522 A C -1.979 175.616 177.584 0.018 0.000 1.060 522 A CA -0.509 51.462 52.037 -0.109 0.000 0.697 522 A CB 1.826 20.737 19.000 -0.149 0.000 1.281 522 A HN 0.661 nan 8.150 nan 0.000 0.402 523 V N 1.518 121.446 119.914 0.023 0.000 2.378 523 V HA 0.882 5.001 4.120 -0.001 0.000 0.288 523 V C 0.613 176.721 176.094 0.023 0.000 1.016 523 V CA 0.645 62.962 62.300 0.028 0.000 0.840 523 V CB 0.829 32.666 31.823 0.024 0.000 0.994 523 V HN 2.092 nan 8.190 nan 0.000 0.431 530 P HA 0.364 nan 4.420 nan 0.000 0.274 530 P C -0.539 176.721 177.300 -0.066 0.000 1.237 530 P CA -0.596 62.456 63.100 -0.080 0.000 0.793 530 P CB 0.908 32.526 31.700 -0.138 0.000 0.977 531 A N 1.647 124.440 122.820 -0.046 0.000 2.445 531 A HA 0.470 4.789 4.320 -0.001 0.000 0.242 531 A C 0.630 178.191 177.584 -0.037 0.000 1.075 531 A CA -0.106 51.912 52.037 -0.030 0.000 0.777 531 A CB -0.404 18.590 19.000 -0.010 0.000 1.013 531 A HN 0.700 nan 8.150 nan 0.000 0.493 532 A N 3.492 126.294 122.820 -0.030 0.000 2.546 532 A HA 0.470 4.790 4.320 -0.001 0.000 0.243 532 A C -2.196 175.380 177.584 -0.013 0.000 1.063 532 A CA -0.751 51.268 52.037 -0.030 0.000 0.757 532 A CB -0.776 18.212 19.000 -0.020 0.000 0.991 532 A HN 0.621 nan 8.150 nan 0.000 0.503 533 P HA 0.051 nan 4.420 nan 0.000 0.268 533 P C -0.414 176.900 177.300 0.022 0.000 1.204 533 P CA -0.176 62.927 63.100 0.006 0.000 0.768 533 P CB 0.376 32.023 31.700 -0.087 0.000 0.842 534 N N 3.184 121.919 118.700 0.059 0.000 2.439 534 N HA 0.162 4.901 4.740 -0.001 0.000 0.243 534 N C -1.264 174.304 175.510 0.097 0.000 1.088 534 N CA 0.018 53.104 53.050 0.061 0.000 0.940 534 N CB -0.115 38.404 38.487 0.053 0.000 1.180 534 N HN -0.012 nan 8.380 nan 0.000 0.505 535 V N 3.940 123.904 119.914 0.083 0.000 2.459 535 V HA 0.445 4.565 4.120 -0.001 0.000 0.295 535 V C -0.131 176.006 176.094 0.071 0.000 1.029 535 V CA -0.986 61.389 62.300 0.124 0.000 0.874 535 V CB 1.571 33.472 31.823 0.130 0.000 0.985 535 V HN 0.586 nan 8.190 nan 0.000 0.438 536 N N 2.415 121.150 118.700 0.058 0.000 2.314 536 N HA 0.508 5.248 4.740 -0.001 0.000 0.304 536 N C -0.858 174.666 175.510 0.023 0.000 1.073 536 N CA -0.425 52.640 53.050 0.025 0.000 0.822 536 N CB 2.528 41.018 38.487 0.006 0.000 1.280 536 N HN 0.363 nan 8.380 nan 0.000 0.489 537 V N 3.332 123.259 119.914 0.021 0.000 2.408 537 V HA 0.350 4.469 4.120 -0.001 0.000 0.267 537 V C 0.420 176.529 176.094 0.025 0.000 1.047 537 V CA -0.356 61.958 62.300 0.024 0.000 0.937 537 V CB 0.214 32.049 31.823 0.020 0.000 0.999 537 V HN 0.433 nan 8.190 nan 0.000 0.472 538 R N 3.028 123.551 120.500 0.037 0.000 2.892 538 R HA 0.492 4.832 4.340 -0.001 0.000 0.265 538 R C -0.414 175.941 176.300 0.092 0.000 1.025 538 R CA -0.980 55.150 56.100 0.050 0.000 0.982 538 R CB 1.153 31.476 30.300 0.038 0.000 1.185 538 R HN 0.597 nan 8.270 nan 0.000 0.484 539 Q N 1.192 121.046 119.800 0.090 0.000 2.337 539 Q HA 0.010 4.349 4.340 -0.001 0.000 0.270 539 Q C -0.781 175.346 176.000 0.211 0.000 1.002 539 Q CA 0.386 56.258 55.803 0.115 0.000 0.888 539 Q CB 0.528 29.304 28.738 0.063 0.000 1.222 539 Q HN 0.410 nan 8.270 nan 0.000 0.400 540 Y N 4.060 124.433 120.300 0.122 0.000 2.595 540 Y HA 0.077 4.626 4.550 -0.001 0.000 0.336 540 Y C 0.430 176.378 175.900 0.079 0.000 0.996 540 Y CA -0.764 57.424 58.100 0.147 0.000 1.260 540 Y CB 0.153 38.747 38.460 0.225 0.000 1.108 540 Y HN 0.610 nan 8.280 nan 0.000 0.509 541 D N 5.647 125.902 120.400 -0.242 0.000 2.157 541 D HA -0.207 4.433 4.640 -0.001 0.000 0.191 541 D C -0.569 175.516 176.300 -0.358 0.000 1.004 541 D CA 1.995 55.854 54.000 -0.235 0.000 0.854 541 D CB -1.234 39.474 40.800 -0.153 0.000 0.936 541 D HN 0.497 nan 8.370 nan 0.000 0.446 542 P HA -0.026 nan 4.420 nan 0.000 0.225 542 P C -0.223 176.887 177.300 -0.317 0.000 1.148 542 P CA 1.065 63.875 63.100 -0.484 0.000 0.779 542 P CB 0.199 31.535 31.700 -0.607 0.000 0.780 543 D N -0.949 119.275 120.400 -0.294 0.000 2.378 543 D HA 0.235 4.874 4.640 -0.001 0.000 0.265 543 D C -2.715 173.619 176.300 0.057 0.000 1.229 543 D CA -2.904 51.094 54.000 -0.003 0.000 0.914 543 D CB 0.640 41.577 40.800 0.228 0.000 1.140 543 D HN -0.081 nan 8.370 nan 0.000 0.516 544 P HA 0.095 nan 4.420 nan 0.000 0.271 544 P C 0.567 177.897 177.300 0.049 0.000 1.233 544 P CA 0.307 63.423 63.100 0.028 0.000 0.789 544 P CB 0.757 32.461 31.700 0.006 0.000 0.951 545 S N -1.932 113.794 115.700 0.043 0.000 2.769 545 S HA -0.142 4.328 4.470 -0.001 0.000 0.264 545 S C 0.622 175.248 174.600 0.043 0.000 1.288 545 S CA 1.109 59.331 58.200 0.036 0.000 1.378 545 S CB -2.520 60.698 63.200 0.030 0.000 1.702 545 S HN 0.894 nan 8.310 nan 0.000 0.656 546 G N 0.931 109.787 108.800 0.093 0.000 2.537 546 G HA2 0.816 4.775 3.960 -0.001 0.000 0.323 546 G HA3 0.816 4.775 3.960 -0.001 0.000 0.323 546 G C -0.341 174.618 174.900 0.097 0.000 1.207 546 G CA -0.709 44.437 45.100 0.077 0.000 0.976 546 G HN 1.507 nan 8.290 nan 0.000 0.487 547 I N -2.874 117.707 120.570 0.019 0.000 3.195 547 I HA 0.724 4.893 4.170 -0.001 0.000 0.313 547 I C -1.291 174.891 176.117 0.109 0.000 1.237 547 I CA -1.371 59.982 61.300 0.088 0.000 0.963 547 I CB 2.475 40.491 38.000 0.027 0.000 1.278 547 I HN 0.631 nan 8.210 nan 0.000 0.460 548 Q N 2.981 122.880 119.800 0.166 0.000 2.356 548 Q HA 0.601 4.941 4.340 -0.001 0.000 0.270 548 Q C -1.872 174.165 176.000 0.062 0.000 1.058 548 Q CA -1.050 54.853 55.803 0.167 0.000 0.802 548 Q CB 2.717 31.658 28.738 0.338 0.000 1.303 548 Q HN 0.503 nan 8.270 nan 0.000 0.444 549 L N 2.685 123.926 121.223 0.029 0.000 2.292 549 L HA 0.535 4.875 4.340 -0.001 0.000 0.284 549 L C -0.488 176.235 176.870 -0.245 0.000 1.065 549 L CA -0.682 54.170 54.840 0.021 0.000 0.806 549 L CB 1.270 43.460 42.059 0.218 0.000 1.175 549 L HN 0.610 nan 8.230 nan 0.000 0.431 550 V N 3.475 123.256 119.914 -0.221 0.000 2.531 550 V HA 0.538 4.658 4.120 -0.001 0.000 0.301 550 V C -0.549 175.395 176.094 -0.250 0.000 1.034 550 V CA -0.662 61.356 62.300 -0.471 0.000 0.865 550 V CB 1.684 33.321 31.823 -0.311 0.000 0.995 550 V HN 0.893 nan 8.190 nan 0.000 0.424 551 W N 1.990 123.152 121.300 -0.231 0.000 2.967 551 W HA 0.808 5.467 4.660 -0.001 0.000 0.342 551 W C -0.514 175.892 176.519 -0.189 0.000 1.162 551 W CA -1.195 56.016 57.345 -0.223 0.000 1.085 551 W CB 0.724 29.977 29.460 -0.345 0.000 1.460 551 W HN 0.411 nan 8.180 nan 0.000 0.584 552 E N 1.706 122.005 120.200 0.164 0.000 2.167 552 E HA 0.124 4.474 4.350 -0.001 0.000 0.284 552 E C -0.438 176.286 176.600 0.207 0.000 1.016 552 E CA -0.811 55.650 56.400 0.102 0.000 0.817 552 E CB 1.283 31.030 29.700 0.077 0.000 1.080 552 E HN 0.185 nan 8.360 nan 0.000 0.397 553 K N 4.347 124.844 120.400 0.160 0.000 2.349 553 K HA 0.029 4.349 4.320 -0.001 0.000 0.289 553 K C -0.185 176.537 176.600 0.204 0.000 1.064 553 K CA -0.222 56.219 56.287 0.256 0.000 0.947 553 K CB 0.495 33.080 32.500 0.140 0.000 1.007 553 K HN 0.533 nan 8.250 nan 0.000 0.478 554 Q N 1.961 121.901 119.800 0.233 0.000 2.293 554 Q HA 0.095 4.435 4.340 -0.001 0.000 0.251 554 Q C 0.512 176.568 176.000 0.094 0.000 0.930 554 Q CA -0.340 55.542 55.803 0.131 0.000 0.893 554 Q CB 1.100 29.898 28.738 0.100 0.000 1.215 554 Q HN 0.624 nan 8.270 nan 0.000 0.425 555 S N 1.314 117.055 115.700 0.068 0.000 2.631 555 S HA -0.034 4.435 4.470 -0.001 0.000 0.217 555 S C 0.398 175.021 174.600 0.039 0.000 0.958 555 S CA -0.016 58.220 58.200 0.060 0.000 0.920 555 S CB -0.179 63.053 63.200 0.054 0.000 0.776 555 S HN 0.712 nan 8.310 nan 0.000 0.517 556 N N 0.999 119.710 118.700 0.019 0.000 2.236 556 N HA 0.139 4.879 4.740 -0.001 0.000 0.196 556 N C -0.295 175.196 175.510 -0.033 0.000 1.114 556 N CA -0.035 53.015 53.050 0.000 0.000 0.859 556 N CB 0.334 38.814 38.487 -0.012 0.000 0.982 556 N HN 0.303 nan 8.380 nan 0.000 0.493 557 V N 1.638 121.522 119.914 -0.050 0.000 2.459 557 V HA 0.107 4.227 4.120 -0.001 0.000 0.295 557 V C 1.185 177.229 176.094 -0.085 0.000 1.029 557 V CA -0.737 61.467 62.300 -0.159 0.000 0.874 557 V CB 2.010 33.638 31.823 -0.325 0.000 0.985 557 V HN 0.280 nan 8.190 nan 0.000 0.438 558 H N 4.870 123.822 119.070 -0.197 0.000 2.415 558 H HA 0.116 4.671 4.556 -0.001 0.000 0.297 558 H C 0.403 175.729 175.328 -0.002 0.000 1.048 558 H CA 1.585 57.605 56.048 -0.047 0.000 1.365 558 H CB 0.559 30.352 29.762 0.051 0.000 1.421 558 H HN 0.866 nan 8.280 nan 0.000 0.533 559 H N -3.327 115.600 119.070 -0.238 0.000 2.921 559 H HA 0.110 4.666 4.556 -0.001 0.000 0.287 559 H C -2.028 173.028 175.328 -0.454 0.000 1.434 559 H CA -0.800 55.120 56.048 -0.214 0.000 1.178 559 H CB 0.019 29.751 29.762 -0.050 0.000 1.836 559 H HN -0.004 nan 8.280 nan 0.000 0.495 560 Y N 0.511 120.708 120.300 -0.172 0.000 2.409 560 Y HA 0.595 5.145 4.550 -0.001 0.000 0.339 560 Y C 0.459 176.214 175.900 -0.241 0.000 1.033 560 Y CA -0.886 56.980 58.100 -0.390 0.000 1.094 560 Y CB 2.018 40.040 38.460 -0.731 0.000 1.210 560 Y HN 0.296 nan 8.280 nan 0.000 0.456 561 R N 1.737 122.124 120.500 -0.190 0.000 2.494 561 R HA 0.643 4.983 4.340 -0.001 0.000 0.305 561 R C -1.611 174.532 176.300 -0.260 0.000 0.959 561 R CA -0.981 54.959 56.100 -0.268 0.000 0.864 561 R CB 1.996 32.099 30.300 -0.329 0.000 1.159 561 R HN 0.381 nan 8.270 nan 0.000 0.446 562 V N 4.522 124.252 119.914 -0.307 0.000 2.347 562 V HA 0.306 4.426 4.120 -0.001 0.000 0.280 562 V C -0.803 175.114 176.094 -0.296 0.000 1.021 562 V CA -0.729 61.459 62.300 -0.186 0.000 0.847 562 V CB 0.525 32.302 31.823 -0.077 0.000 0.990 562 V HN 0.590 nan 8.190 nan 0.000 0.444 563 Y N 3.739 124.021 120.300 -0.029 0.000 2.387 563 Y HA 0.592 5.142 4.550 -0.001 0.000 0.330 563 Y C 0.441 176.363 175.900 0.037 0.000 1.133 563 Y CA -0.685 57.406 58.100 -0.015 0.000 1.152 563 Y CB 1.667 40.115 38.460 -0.020 0.000 1.215 563 Y HN 0.613 nan 8.280 nan 0.000 0.466 564 K N 1.362 121.871 120.400 0.181 0.000 2.259 564 K HA 0.489 4.808 4.320 -0.001 0.000 0.252 564 K C -1.195 175.487 176.600 0.138 0.000 0.936 564 K CA -0.817 55.554 56.287 0.139 0.000 0.810 564 K CB 1.600 34.139 32.500 0.065 0.000 1.143 564 K HN 0.598 nan 8.250 nan 0.000 0.427 565 E N 1.807 122.085 120.200 0.129 0.000 2.338 565 E HA 0.104 4.453 4.350 -0.001 0.000 0.272 565 E C -0.423 176.207 176.600 0.051 0.000 1.029 565 E CA -0.108 56.342 56.400 0.084 0.000 0.872 565 E CB 1.282 31.037 29.700 0.092 0.000 1.015 565 E HN 0.780 nan 8.360 nan 0.000 0.417 566 T N -0.869 113.706 114.554 0.034 0.000 2.838 566 T HA 0.288 4.638 4.350 -0.001 0.000 0.292 566 T C 0.614 175.290 174.700 -0.040 0.000 1.113 566 T CA -1.054 61.056 62.100 0.017 0.000 1.008 566 T CB 1.336 70.243 68.868 0.065 0.000 1.259 566 T HN 0.291 nan 8.240 nan 0.000 0.520 567 K N -0.349 119.976 120.400 -0.124 0.000 2.442 567 K HA -0.051 4.269 4.320 -0.001 0.000 0.198 567 K C 0.679 177.057 176.600 -0.370 0.000 1.044 567 K CA 0.889 57.016 56.287 -0.267 0.000 0.948 567 K CB -0.167 32.108 32.500 -0.375 0.000 0.762 567 K HN 0.532 nan 8.250 nan 0.000 0.472 568 H N -0.271 118.802 119.070 0.004 0.000 2.469 568 H HA 0.239 4.794 4.556 -0.001 0.000 0.286 568 H C 0.812 176.138 175.328 -0.003 0.000 1.106 568 H CA 0.477 56.526 56.048 0.002 0.000 1.055 568 H CB 0.468 30.235 29.762 0.008 0.000 1.618 568 H HN 0.326 nan 8.280 nan 0.000 0.559 569 G N 1.876 110.707 108.800 0.051 0.000 2.610 569 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.304 569 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.304 569 G C -0.457 174.450 174.900 0.012 0.000 1.309 569 G CA -0.673 44.435 45.100 0.013 0.000 0.906 569 G HN 0.371 nan 8.290 nan 0.000 0.521 570 K N 0.058 120.436 120.400 -0.035 0.000 2.339 570 K HA 0.572 4.892 4.320 -0.001 0.000 0.286 570 K C -0.096 176.570 176.600 0.110 0.000 1.050 570 K CA -0.116 56.159 56.287 -0.020 0.000 0.956 570 K CB 1.812 34.167 32.500 -0.241 0.000 0.990 570 K HN 0.690 nan 8.250 nan 0.000 0.475 571 E N 3.979 124.291 120.200 0.186 0.000 2.158 571 E HA 0.145 4.495 4.350 -0.001 0.000 0.271 571 E C -1.155 175.539 176.600 0.157 0.000 0.911 571 E CA -1.168 55.332 56.400 0.166 0.000 0.767 571 E CB 1.057 30.811 29.700 0.090 0.000 1.120 571 E HN 0.591 nan 8.360 nan 0.000 0.405 572 L N 6.567 127.789 121.223 -0.003 0.000 2.410 572 L HA 0.138 4.477 4.340 -0.001 0.000 0.273 572 L C 0.418 177.113 176.870 -0.291 0.000 1.144 572 L CA 0.762 55.331 54.840 -0.452 0.000 0.863 572 L CB 0.508 42.192 42.059 -0.625 0.000 1.140 572 L HN 0.714 nan 8.230 nan 0.000 0.463 573 I N 1.400 121.801 120.570 -0.282 0.000 4.240 573 I HA 0.624 4.794 4.170 -0.001 0.000 0.331 573 I C 0.532 176.549 176.117 -0.166 0.000 1.381 573 I CA -0.007 61.197 61.300 -0.161 0.000 1.136 573 I CB 0.373 38.323 38.000 -0.083 0.000 1.137 573 I HN 0.602 nan 8.210 nan 0.000 0.411 574 G N 1.244 109.890 108.800 -0.256 0.000 2.702 574 G HA2 0.554 4.514 3.960 -0.001 0.000 0.296 574 G HA3 0.554 4.514 3.960 -0.001 0.000 0.296 574 G C -1.102 173.658 174.900 -0.235 0.000 1.463 574 G CA -0.107 44.888 45.100 -0.175 0.000 0.890 574 G HN 0.176 nan 8.290 nan 0.000 0.534 575 T N -2.065 112.407 114.554 -0.138 0.000 2.909 575 T HA 0.820 5.169 4.350 -0.001 0.000 0.299 575 T C -0.679 174.073 174.700 0.088 0.000 1.073 575 T CA -0.806 61.244 62.100 -0.083 0.000 0.999 575 T CB 2.005 70.742 68.868 -0.218 0.000 1.098 575 T HN 1.468 nan 8.240 nan 0.000 0.477 576 S N 0.058 115.885 115.700 0.212 0.000 2.536 576 S HA 0.671 5.140 4.470 -0.001 0.000 0.271 576 S C 0.132 174.941 174.600 0.349 0.000 1.134 576 S CA -0.205 58.169 58.200 0.289 0.000 0.897 576 S CB 1.337 64.789 63.200 0.420 0.000 1.094 576 S HN 1.371 nan 8.310 nan 0.000 0.473 577 A N 3.122 126.084 122.820 0.237 0.000 2.465 577 A HA 0.651 4.971 4.320 -0.001 0.000 0.255 577 A C 0.919 178.609 177.584 0.176 0.000 1.274 577 A CA 0.402 52.556 52.037 0.194 0.000 0.920 577 A CB -0.509 18.524 19.000 0.055 0.000 1.033 577 A HN 0.975 nan 8.150 nan 0.000 0.516 578 G N -0.144 108.734 108.800 0.132 0.000 2.940 578 G HA2 0.406 4.365 3.960 -0.001 0.000 0.164 578 G HA3 0.406 4.365 3.960 -0.001 0.000 0.164 578 G C 0.170 174.863 174.900 -0.345 0.000 1.326 578 G CA 0.532 45.496 45.100 -0.226 0.000 1.020 578 G HN 0.215 nan 8.290 nan 0.000 0.586 579 D N -1.552 118.395 120.400 -0.755 0.000 2.395 579 D HA 0.149 4.788 4.640 -0.001 0.000 0.213 579 D C 0.727 175.961 176.300 -1.777 0.000 1.110 579 D CA -0.247 53.146 54.000 -1.012 0.000 0.835 579 D CB 0.231 40.621 40.800 -0.683 0.000 0.965 579 D HN 0.579 nan 8.370 nan 0.000 0.505 580 R N -1.149 118.527 120.500 -1.373 0.000 2.733 580 R HA 0.726 5.066 4.340 -0.001 0.000 0.272 580 R C -1.587 174.380 176.300 -0.554 0.000 1.029 580 R CA -1.054 54.262 56.100 -1.307 0.000 0.888 580 R CB 1.317 31.077 30.300 -0.900 0.000 1.251 580 R HN 0.022 nan 8.270 nan 0.000 0.464 581 I N 0.769 121.218 120.570 -0.202 0.000 2.775 581 I HA 0.377 4.547 4.170 -0.001 0.000 0.295 581 I C -1.713 174.564 176.117 0.266 0.000 1.287 581 I CA -1.117 60.294 61.300 0.185 0.000 1.029 581 I CB 2.412 40.558 38.000 0.245 0.000 1.282 581 I HN 0.801 nan 8.210 nan 0.000 0.426 582 Y N 8.256 128.633 120.300 0.129 0.000 2.313 582 Y HA 0.638 5.188 4.550 -0.001 0.000 0.332 582 Y C -1.207 174.679 175.900 -0.023 0.000 1.071 582 Y CA -0.529 57.535 58.100 -0.060 0.000 1.169 582 Y CB 0.868 39.039 38.460 -0.482 0.000 1.192 582 Y HN 0.261 nan 8.280 nan 0.000 0.487 583 I N 6.829 126.983 120.570 -0.694 0.000 2.418 583 I HA 0.205 4.374 4.170 -0.001 0.000 0.287 583 I C -0.316 175.285 176.117 -0.859 0.000 1.008 583 I CA -0.878 60.066 61.300 -0.593 0.000 1.104 583 I CB 1.543 39.400 38.000 -0.239 0.000 1.264 583 I HN 0.754 nan 8.210 nan 0.000 0.438 584 E N 4.632 124.411 120.200 -0.702 0.000 2.343 584 E HA 0.437 4.787 4.350 -0.001 0.000 0.269 584 E C 0.827 177.333 176.600 -0.156 0.000 1.047 584 E CA 0.142 56.309 56.400 -0.389 0.000 0.874 584 E CB 1.269 30.921 29.700 -0.081 0.000 1.033 584 E HN 0.854 nan 8.360 nan 0.000 0.409 585 G N 2.768 111.526 108.800 -0.070 0.000 2.168 585 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.263 585 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.263 585 G C 0.532 175.415 174.900 -0.030 0.000 0.977 585 G CA 0.505 45.589 45.100 -0.026 0.000 0.659 585 G HN 0.604 nan 8.290 nan 0.000 0.533 586 L N 0.215 121.408 121.223 -0.051 0.000 2.046 586 L HA 0.153 4.493 4.340 -0.001 0.000 0.208 586 L C 1.722 178.583 176.870 -0.015 0.000 1.077 586 L CA 1.226 56.044 54.840 -0.036 0.000 0.747 586 L CB -0.015 42.015 42.059 -0.048 0.000 0.896 586 L HN 0.124 nan 8.230 nan 0.000 0.432 587 V N 2.810 122.720 119.914 -0.006 0.000 2.382 587 V HA 0.081 4.200 4.120 -0.001 0.000 0.250 587 V C -0.095 176.001 176.094 0.003 0.000 1.069 587 V CA 0.572 62.874 62.300 0.003 0.000 1.130 587 V CB -1.357 30.473 31.823 0.011 0.000 1.165 587 V HN 0.548 nan 8.190 nan 0.000 0.483 596 R N 4.267 124.768 120.500 0.001 0.000 2.346 596 R HA 0.823 5.162 4.340 -0.001 0.000 0.311 596 R C -0.936 175.353 176.300 -0.019 0.000 0.983 596 R CA -0.516 55.569 56.100 -0.026 0.000 0.880 596 R CB 1.959 32.259 30.300 -0.000 0.000 1.100 596 R HN 0.532 nan 8.270 nan 0.000 0.453 597 L N 2.632 123.791 121.223 -0.107 0.000 2.322 597 L HA 0.524 4.864 4.340 -0.001 0.000 0.269 597 L C -0.143 176.575 176.870 -0.253 0.000 1.012 597 L CA -0.910 53.892 54.840 -0.062 0.000 0.815 597 L CB 1.788 43.829 42.059 -0.030 0.000 1.295 597 L HN 0.499 nan 8.230 nan 0.000 0.438 598 H N 2.496 121.595 119.070 0.049 0.000 2.924 598 H HA 0.403 4.959 4.556 -0.001 0.000 0.333 598 H C -1.230 174.131 175.328 0.054 0.000 0.979 598 H CA -0.557 55.517 56.048 0.044 0.000 1.326 598 H CB 2.389 32.175 29.762 0.040 0.000 1.600 598 H HN 0.270 nan 8.280 nan 0.000 0.520 599 I N 3.655 124.266 120.570 0.068 0.000 2.339 599 I HA 0.098 4.268 4.170 -0.001 0.000 0.290 599 I C 0.372 176.468 176.117 -0.035 0.000 0.994 599 I CA -0.322 60.965 61.300 -0.021 0.000 1.191 599 I CB 1.368 39.302 38.000 -0.110 0.000 1.343 599 I HN 0.537 nan 8.210 nan 0.000 0.458 600 E N 5.759 125.923 120.200 -0.060 0.000 2.227 600 E HA 0.876 5.225 4.350 -0.001 0.000 0.268 600 E C -1.324 175.115 176.600 -0.269 0.000 0.907 600 E CA -1.294 55.034 56.400 -0.121 0.000 0.786 600 E CB 2.148 31.798 29.700 -0.084 0.000 1.191 600 E HN 0.524 nan 8.360 nan 0.000 0.411 601 A N 3.153 125.764 122.820 -0.348 0.000 2.292 601 A HA 0.533 4.853 4.320 -0.001 0.000 0.319 601 A C -1.012 176.230 177.584 -0.570 0.000 1.206 601 A CA -0.748 50.883 52.037 -0.676 0.000 0.835 601 A CB 0.452 19.073 19.000 -0.633 0.000 1.164 601 A HN 0.473 nan 8.150 nan 0.000 0.505 602 L N 2.264 123.042 121.223 -0.741 0.000 2.307 602 L HA 0.437 4.776 4.340 -0.001 0.000 0.284 602 L C 1.047 177.628 176.870 -0.482 0.000 1.023 602 L CA 0.149 54.607 54.840 -0.637 0.000 0.810 602 L CB 1.746 43.222 42.059 -0.972 0.000 1.231 602 L HN 0.849 nan 8.230 nan 0.000 0.423 603 S N 1.235 116.773 115.700 -0.270 0.000 2.606 603 S HA 0.160 4.629 4.470 -0.001 0.000 0.257 603 S C 0.983 175.581 174.600 -0.005 0.000 1.327 603 S CA -0.471 57.656 58.200 -0.120 0.000 0.984 603 S CB 0.572 63.740 63.200 -0.053 0.000 0.941 603 S HN 0.609 nan 8.310 nan 0.000 0.576 604 E N 0.722 120.972 120.200 0.082 0.000 2.209 604 E HA -0.099 4.251 4.350 -0.001 0.000 0.196 604 E C 1.623 178.360 176.600 0.228 0.000 0.993 604 E CA 1.529 58.039 56.400 0.183 0.000 0.819 604 E CB -0.828 28.951 29.700 0.130 0.000 0.745 604 E HN 0.795 nan 8.360 nan 0.000 0.477 605 T N 0.099 114.753 114.554 0.167 0.000 3.169 605 T HA 0.035 4.385 4.350 -0.001 0.000 0.250 605 T C -0.020 174.868 174.700 0.313 0.000 1.111 605 T CA -0.188 62.012 62.100 0.168 0.000 1.010 605 T CB -0.144 68.776 68.868 0.086 0.000 0.984 605 T HN 0.056 nan 8.240 nan 0.000 0.537 606 F N 0.173 120.100 119.950 -0.040 0.000 2.988 606 F HA -0.185 4.342 4.527 -0.001 0.000 0.287 606 F C 0.331 176.085 175.800 -0.077 0.000 0.781 606 F CA -0.508 57.444 58.000 -0.080 0.000 1.221 606 F CB -2.362 36.608 39.000 -0.051 0.000 1.392 606 F HN -0.011 nan 8.300 nan 0.000 0.425 607 V N 2.201 122.142 119.914 0.044 0.000 2.470 607 V HA 0.223 4.343 4.120 -0.001 0.000 0.276 607 V C -1.649 174.380 176.094 -0.109 0.000 1.040 607 V CA -1.132 61.158 62.300 -0.018 0.000 1.008 607 V CB 0.711 32.527 31.823 -0.012 0.000 0.990 607 V HN -0.111 nan 8.190 nan 0.000 0.477 608 P HA 0.266 nan 4.420 nan 0.000 0.285 608 P C -0.214 177.008 177.300 -0.130 0.000 1.259 608 P CA -0.310 62.693 63.100 -0.161 0.000 0.794 608 P CB 1.059 32.678 31.700 -0.135 0.000 0.940 609 S N 1.827 117.436 115.700 -0.152 0.000 2.624 609 S HA 0.192 4.662 4.470 -0.001 0.000 0.263 609 S C 0.086 174.633 174.600 -0.089 0.000 1.287 609 S CA -0.528 57.603 58.200 -0.114 0.000 0.990 609 S CB 0.010 63.133 63.200 -0.128 0.000 0.950 609 S HN 0.299 nan 8.310 nan 0.000 0.561 610 D N 1.362 121.724 120.400 -0.064 0.000 2.455 610 D HA 0.366 5.005 4.640 -0.001 0.000 0.241 610 D C 0.282 176.562 176.300 -0.033 0.000 1.138 610 D CA 0.521 54.493 54.000 -0.046 0.000 0.877 610 D CB 0.856 41.638 40.800 -0.031 0.000 1.187 610 D HN 0.819 nan 8.370 nan 0.000 0.451 611 A N 3.135 125.951 122.820 -0.008 0.000 2.450 611 A HA 0.203 4.523 4.320 -0.001 0.000 0.255 611 A C 0.617 178.228 177.584 0.046 0.000 1.096 611 A CA -0.288 51.773 52.037 0.040 0.000 0.778 611 A CB 0.289 19.363 19.000 0.124 0.000 1.031 611 A HN 0.496 nan 8.150 nan 0.000 0.494 612 R N 2.765 123.271 120.500 0.010 0.000 2.389 612 R HA 0.291 4.631 4.340 -0.001 0.000 0.295 612 R C 0.091 176.356 176.300 -0.058 0.000 1.075 612 R CA -0.097 55.994 56.100 -0.015 0.000 1.005 612 R CB 0.363 30.649 30.300 -0.022 0.000 0.987 612 R HN 0.763 nan 8.270 nan 0.000 0.452 613 M N 5.648 125.189 119.600 -0.099 0.000 2.277 613 M HA 0.345 4.825 4.480 -0.001 0.000 0.350 613 M C -1.193 175.010 176.300 -0.163 0.000 1.180 613 M CA -0.438 54.715 55.300 -0.245 0.000 1.103 613 M CB 1.071 33.555 32.600 -0.194 0.000 1.577 613 M HN 0.553 nan 8.290 nan 0.000 0.459 614 I N 3.384 123.840 120.570 -0.189 0.000 2.569 614 I HA 0.329 4.498 4.170 -0.001 0.000 0.290 614 I C -0.499 175.562 176.117 -0.092 0.000 1.088 614 I CA -0.582 60.658 61.300 -0.099 0.000 1.047 614 I CB 2.059 40.026 38.000 -0.056 0.000 1.237 614 I HN 0.553 nan 8.210 nan 0.000 0.421 615 D N 0.000 120.365 120.400 -0.059 0.000 6.856 615 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 615 D CA 0.000 53.974 54.000 -0.043 0.000 0.868 615 D CB 0.000 40.780 40.800 -0.034 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683