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 1urj_1_A DATA FIRST_RESID 9 DATA SEQUENCE TTIKVPPGPL GYVYARACPS EGIELLALLS ARSGDSDVAV APLVVGLTVE DATA SEQUENCE SGFEANVAVV VGSRTTXXXX XAVSLKLTPS HYSSSVYVFH GGRHLDPSTQ DATA SEQUENCE APNLTRLCER ARRHFGFSDY TPRPGDLKHE TTGEALCERL GLDPDRALLY DATA SEQUENCE LVVTEGFKEA VCINNTFLHL GGSDKVTIGG AEVHRIPVYP LQLFMPDFSR DATA SEQUENCE VIAEPFNANH RSIGEKFTYP LPFFNRPLNR LLFEAVVGPA AVALRSRNVD DATA SEQUENCE AVARAAAHLA FDENHEGAAL PADITFTAFX XXXXXXXXXX XXXXXXXXAG DATA SEQUENCE GFEQRLASVM AGDAALALES IVSMAVFDEP PTDISAWPLF EGQDTAAARA DATA SEQUENCE NAVGAYLARA AGLVGAMVFS TNSALHLTEV DDAGPAXXXX HSKPSFYRFF DATA SEQUENCE LVPGTHVAAN PQVDREGHVV PGFEGRPTAP LVGGTQEFAG EHLAMLSGFS DATA SEQUENCE PALLAKMLFY LERCDGAVIV XXXXMDVFRY VADSNQTDVP CNLCTFDTRH DATA SEQUENCE ACVHTTLMRL RARHPKFASA ARGAIGVFGT MNSMYSDCDV LGNYAXXXXX DATA SEQUENCE XXXXXXXXXX XXXXETYRAA TERVMAELET LQYVDQAVPT AMGRLETIIT DATA SEQUENCE NREALHTVVN NVRQVVDREV EQLMRNLVEX XXFKFRDGLG EANHAMSLTL DATA SEQUENCE DPYACGPCPL LQLLGRRSNL AVYQDLALSQ CHGVFAGQSV EGRNFRNQFQ DATA SEQUENCE PVLRRRVMDM FNNGFLSAKT LTVALSXXXA ICAPSLTAGQ TAPAESSFEG DATA SEQUENCE DVARVTLGFP KELRVKSRVL FXXXXXXXXX XXXXXXXXXX SAYQKPDKRV DATA SEQUENCE DILLGPLGFL LKQFHAAIFP NGKPPGSNQP NPQWFWTALQ RNQLPARLLS DATA SEQUENCE REDIETIAFI KKFSLDYGAI NFINLAPNNV SELAMYYMAN QILRYCDHST DATA SEQUENCE YFINTLTAII AGSRRPPSVQ AAAAWSAQGG AGLEAGARAL MDAVDAHPGA DATA SEQUENCE WTSMFASCNL LRPVMAARPM VVLGLSISKY XXXXXXXXVF QAGNWASLMG DATA SEQUENCE GKNACPLLIF DRTRKFVLAC PRAGFVCAAS XXXXXXXXXS LCEQLRGIIS DATA SEQUENCE EGGAAVASSV FVATVKSLGP RTQQLQIEDW LALLEDEYLS EEMMELTARA DATA SEQUENCE LERGNGEWST DAALEVAHEA EA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.712 174.700 0.019 0.000 1.109 9 T CA 0.000 62.110 62.100 0.017 0.000 1.349 9 T CB 0.000 68.879 68.868 0.018 0.000 0.612 10 T N 0.959 115.527 114.554 0.023 0.000 2.933 10 T HA 0.738 5.087 4.350 -0.002 0.000 0.305 10 T C -1.293 173.425 174.700 0.030 0.000 1.092 10 T CA -0.655 61.461 62.100 0.026 0.000 1.008 10 T CB 1.920 70.803 68.868 0.026 0.000 1.102 10 T HN 0.488 nan 8.240 nan 0.000 0.469 11 I N 1.251 121.842 120.570 0.035 0.000 2.488 11 I HA 0.610 4.779 4.170 -0.002 0.000 0.299 11 I C -0.311 175.831 176.117 0.041 0.000 0.984 11 I CA -0.932 60.392 61.300 0.039 0.000 1.250 11 I CB 1.164 39.191 38.000 0.044 0.000 1.389 11 I HN 0.731 nan 8.210 nan 0.000 0.488 12 K N 4.702 125.127 120.400 0.042 0.000 2.123 12 K HA 0.779 5.098 4.320 -0.002 0.000 0.248 12 K C -1.634 174.996 176.600 0.049 0.000 0.969 12 K CA -0.889 55.423 56.287 0.042 0.000 0.882 12 K CB 2.105 34.628 32.500 0.038 0.000 1.080 12 K HN 0.441 nan 8.250 nan 0.000 0.441 13 V N 3.562 123.506 119.914 0.050 0.000 2.737 13 V HA 0.275 4.394 4.120 -0.002 0.000 0.298 13 V C -2.579 173.549 176.094 0.056 0.000 1.163 13 V CA -1.680 60.654 62.300 0.058 0.000 0.925 13 V CB 2.005 33.867 31.823 0.064 0.000 1.037 13 V HN 0.690 nan 8.190 nan 0.000 0.433 14 P HA 0.307 nan 4.420 nan 0.000 0.268 14 P C -2.866 174.472 177.300 0.064 0.000 1.204 14 P CA -1.008 62.126 63.100 0.055 0.000 0.768 14 P CB 0.399 32.129 31.700 0.049 0.000 0.842 15 P HA 0.354 nan 4.420 nan 0.000 0.275 15 P C 0.187 177.537 177.300 0.082 0.000 1.227 15 P CA 0.351 63.492 63.100 0.068 0.000 0.781 15 P CB 0.688 32.429 31.700 0.068 0.000 0.906 16 G N 2.361 111.204 108.800 0.072 0.000 2.645 16 G HA2 0.573 4.532 3.960 -0.002 0.000 0.292 16 G HA3 0.573 4.532 3.960 -0.002 0.000 0.292 16 G C -3.195 171.680 174.900 -0.042 0.000 1.415 16 G CA -1.209 43.929 45.100 0.064 0.000 0.785 16 G HN 0.212 nan 8.290 nan 0.000 0.483 17 P HA 0.236 nan 4.420 nan 0.000 0.279 17 P C 0.791 177.776 177.300 -0.525 0.000 1.282 17 P CA -0.430 62.181 63.100 -0.814 0.000 0.788 17 P CB 1.021 31.903 31.700 -1.364 0.000 1.139 18 L N -3.345 117.526 121.223 -0.587 0.000 2.554 18 L HA 0.500 4.839 4.340 -0.002 0.000 0.226 18 L C 0.850 177.544 176.870 -0.293 0.000 1.137 18 L CA 0.672 55.244 54.840 -0.447 0.000 0.863 18 L CB -1.102 40.613 42.059 -0.574 0.000 0.985 18 L HN 0.586 nan 8.230 nan 0.000 0.451 19 G N -2.095 106.522 108.800 -0.305 0.000 2.321 19 G HA2 0.451 4.410 3.960 -0.002 0.000 0.296 19 G HA3 0.451 4.410 3.960 -0.002 0.000 0.296 19 G C -2.101 172.703 174.900 -0.161 0.000 1.287 19 G CA -0.651 44.458 45.100 0.016 0.000 0.846 19 G HN -0.026 nan 8.290 nan 0.000 0.508 20 Y N -1.752 118.734 120.300 0.309 0.000 2.571 20 Y HA 0.582 5.131 4.550 -0.001 0.000 0.341 20 Y C -0.221 175.867 175.900 0.314 0.000 1.076 20 Y CA -0.887 57.373 58.100 0.268 0.000 1.029 20 Y CB 2.643 41.350 38.460 0.413 0.000 1.308 20 Y HN 0.381 nan 8.280 nan 0.000 0.461 21 V N 3.193 123.326 119.914 0.365 0.000 2.328 21 V HA 0.267 4.386 4.120 -0.002 0.000 0.278 21 V C -1.028 175.215 176.094 0.249 0.000 1.021 21 V CA -0.824 61.662 62.300 0.311 0.000 0.838 21 V CB 0.027 31.941 31.823 0.151 0.000 0.999 21 V HN 0.530 nan 8.190 nan 0.000 0.447 22 Y N 3.126 123.346 120.300 -0.134 0.000 2.304 22 Y HA 0.669 5.218 4.550 -0.002 0.000 0.328 22 Y C 0.512 176.150 175.900 -0.436 0.000 1.123 22 Y CA -0.595 57.273 58.100 -0.387 0.000 1.218 22 Y CB 1.665 39.630 38.460 -0.825 0.000 1.207 22 Y HN 0.673 nan 8.280 nan 0.000 0.495 23 A N 5.478 128.224 122.820 -0.124 0.000 2.398 23 A HA 0.907 5.226 4.320 -0.002 0.000 0.301 23 A C -0.859 176.747 177.584 0.035 0.000 1.041 23 A CA -0.911 51.097 52.037 -0.049 0.000 0.711 23 A CB 1.403 20.392 19.000 -0.018 0.000 1.240 23 A HN 0.869 nan 8.150 nan 0.000 0.420 24 R N 0.993 121.533 120.500 0.065 0.000 2.734 24 R HA 0.834 5.173 4.340 -0.002 0.000 0.271 24 R C -0.383 175.965 176.300 0.081 0.000 1.021 24 R CA -0.493 55.657 56.100 0.084 0.000 0.893 24 R CB 1.446 31.797 30.300 0.086 0.000 1.244 24 R HN 1.145 nan 8.270 nan 0.000 0.464 25 A N 0.801 123.653 122.820 0.054 0.000 2.371 25 A HA 0.305 4.624 4.320 -0.002 0.000 0.257 25 A C 0.184 177.764 177.584 -0.007 0.000 1.089 25 A CA -0.498 51.554 52.037 0.025 0.000 0.794 25 A CB 0.509 19.515 19.000 0.008 0.000 1.029 25 A HN 0.858 nan 8.150 nan 0.000 0.488 26 C N 5.631 124.889 119.300 -0.070 0.000 2.409 26 C HA 0.243 4.702 4.460 -0.002 0.000 0.399 26 C C -1.067 173.854 174.990 -0.116 0.000 1.505 26 C CA -1.318 57.600 59.018 -0.166 0.000 1.435 26 C CB -1.285 26.147 27.740 -0.514 0.000 2.462 26 C HN 0.724 nan 8.230 nan 0.000 0.619 27 P HA 0.150 nan 4.420 nan 0.000 0.271 27 P C -0.121 177.137 177.300 -0.071 0.000 1.244 27 P CA 0.204 63.270 63.100 -0.056 0.000 0.793 27 P CB 0.615 32.291 31.700 -0.039 0.000 0.984 28 S N -2.030 113.634 115.700 -0.059 0.000 2.751 28 S HA 0.368 4.837 4.470 -0.002 0.000 0.247 28 S C 0.242 174.815 174.600 -0.045 0.000 1.103 28 S CA -0.395 57.772 58.200 -0.055 0.000 1.090 28 S CB 0.190 63.358 63.200 -0.052 0.000 0.928 28 S HN 0.472 nan 8.310 nan 0.000 0.502 29 E N 0.978 121.150 120.200 -0.046 0.000 3.499 29 E HA 0.249 4.598 4.350 -0.002 0.000 0.277 29 E C 1.400 177.973 176.600 -0.046 0.000 1.214 29 E CA 0.132 56.505 56.400 -0.045 0.000 1.935 29 E CB -0.871 28.797 29.700 -0.054 0.000 1.940 29 E HN 0.304 nan 8.360 nan 0.000 0.920 30 G N 1.211 109.972 108.800 -0.065 0.000 3.135 30 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.208 30 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.208 30 G C 1.033 175.901 174.900 -0.054 0.000 1.212 30 G CA 0.217 45.272 45.100 -0.074 0.000 0.928 30 G HN 0.092 nan 8.290 nan 0.000 0.500 31 I N 0.938 121.486 120.570 -0.036 0.000 2.277 31 I HA -0.028 4.141 4.170 -0.002 0.000 0.243 31 I C 2.594 178.708 176.117 -0.006 0.000 1.094 31 I CA 1.313 62.601 61.300 -0.021 0.000 1.393 31 I CB -0.095 37.898 38.000 -0.011 0.000 1.078 31 I HN 0.408 nan 8.210 nan 0.000 0.417 32 E N 0.293 120.495 120.200 0.003 0.000 2.171 32 E HA -0.281 4.068 4.350 -0.002 0.000 0.197 32 E C 2.164 178.783 176.600 0.032 0.000 0.997 32 E CA 1.875 58.288 56.400 0.021 0.000 0.810 32 E CB -0.790 28.924 29.700 0.023 0.000 0.738 32 E HN 0.566 nan 8.360 nan 0.000 0.467 33 L N 0.196 121.434 121.223 0.025 0.000 2.049 33 L HA -0.019 4.320 4.340 -0.002 0.000 0.203 33 L C 2.375 179.259 176.870 0.022 0.000 1.074 33 L CA 0.841 55.710 54.840 0.048 0.000 0.749 33 L CB -0.145 41.936 42.059 0.038 0.000 0.907 33 L HN 0.241 nan 8.230 nan 0.000 0.439 34 L N -0.412 120.799 121.223 -0.019 0.000 2.043 34 L HA -0.270 4.069 4.340 -0.002 0.000 0.212 34 L C 2.631 179.477 176.870 -0.039 0.000 1.075 34 L CA 1.772 56.585 54.840 -0.046 0.000 0.752 34 L CB -0.537 41.480 42.059 -0.069 0.000 0.891 34 L HN 0.429 nan 8.230 nan 0.000 0.432 35 A N -0.076 122.730 122.820 -0.023 0.000 1.883 35 A HA -0.242 4.077 4.320 -0.002 0.000 0.217 35 A C 2.175 179.727 177.584 -0.053 0.000 1.186 35 A CA 1.692 53.714 52.037 -0.026 0.000 0.624 35 A CB -0.770 18.231 19.000 0.002 0.000 0.822 35 A HN 0.485 nan 8.150 nan 0.000 0.444 36 L N -0.790 120.417 121.223 -0.027 0.000 2.042 36 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 36 L C 2.487 179.262 176.870 -0.159 0.000 1.076 36 L CA 1.295 56.096 54.840 -0.065 0.000 0.749 36 L CB -0.442 41.645 42.059 0.047 0.000 0.893 36 L HN 0.394 nan 8.230 nan 0.000 0.432 37 L N -1.500 119.693 121.223 -0.051 0.000 2.291 37 L HA -0.053 4.286 4.340 -0.002 0.000 0.214 37 L C 1.426 178.243 176.870 -0.089 0.000 1.120 37 L CA 0.051 54.876 54.840 -0.025 0.000 0.799 37 L CB -0.248 41.855 42.059 0.074 0.000 0.925 37 L HN 0.125 nan 8.230 nan 0.000 0.446 38 S N -0.707 114.927 115.700 -0.109 0.000 2.671 38 S HA 0.652 5.121 4.470 -0.002 0.000 0.272 38 S C 0.020 174.542 174.600 -0.129 0.000 1.174 38 S CA -0.489 57.645 58.200 -0.109 0.000 1.004 38 S CB 1.509 64.655 63.200 -0.089 0.000 1.077 38 S HN 0.191 nan 8.310 nan 0.000 0.553 39 A N 1.383 124.154 122.820 -0.081 0.000 2.353 39 A HA 0.758 5.077 4.320 -0.002 0.000 0.299 39 A C -0.477 177.100 177.584 -0.012 0.000 1.089 39 A CA -0.595 51.410 52.037 -0.054 0.000 0.736 39 A CB 0.841 19.826 19.000 -0.025 0.000 1.195 39 A HN 0.580 nan 8.150 nan 0.000 0.447 40 R N 2.048 122.549 120.500 0.001 0.000 2.522 40 R HA 0.375 4.714 4.340 -0.002 0.000 0.273 40 R C -1.353 174.970 176.300 0.038 0.000 1.133 40 R CA -0.120 55.993 56.100 0.023 0.000 0.969 40 R CB 1.956 32.264 30.300 0.012 0.000 1.235 40 R HN 0.804 nan 8.270 nan 0.000 0.433 41 S N 1.641 117.369 115.700 0.048 0.000 2.513 41 S HA 0.250 4.719 4.470 -0.002 0.000 0.276 41 S C 1.382 176.010 174.600 0.047 0.000 1.254 41 S CA 0.318 58.551 58.200 0.055 0.000 1.053 41 S CB 1.184 64.421 63.200 0.061 0.000 0.958 41 S HN 0.740 nan 8.310 nan 0.000 0.491 42 G N 2.978 111.809 108.800 0.050 0.000 2.516 42 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.221 42 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.221 42 G C 0.657 175.578 174.900 0.036 0.000 1.107 42 G CA 0.922 46.048 45.100 0.043 0.000 0.747 42 G HN 0.895 nan 8.290 nan 0.000 0.567 43 D N -0.903 119.521 120.400 0.040 0.000 2.615 43 D HA 0.265 4.904 4.640 -0.002 0.000 0.236 43 D C 0.036 176.358 176.300 0.036 0.000 1.233 43 D CA -0.399 53.624 54.000 0.037 0.000 0.829 43 D CB 0.181 41.006 40.800 0.043 0.000 1.024 43 D HN 0.023 nan 8.370 nan 0.000 0.490 44 S N -0.427 115.291 115.700 0.030 0.000 2.535 44 S HA 0.222 4.691 4.470 -0.002 0.000 0.272 44 S C -0.716 173.891 174.600 0.011 0.000 1.149 44 S CA -0.630 57.590 58.200 0.033 0.000 0.888 44 S CB 1.725 64.957 63.200 0.053 0.000 1.110 44 S HN -0.049 nan 8.310 nan 0.000 0.463 45 D N 2.300 122.702 120.400 0.003 0.000 2.349 45 D HA 0.120 4.759 4.640 -0.002 0.000 0.224 45 D C 0.719 177.011 176.300 -0.014 0.000 1.029 45 D CA 0.572 54.545 54.000 -0.045 0.000 0.879 45 D CB 0.109 40.860 40.800 -0.081 0.000 0.906 45 D HN 0.452 nan 8.370 nan 0.000 0.528 46 V N -2.921 117.022 119.914 0.048 0.000 2.975 46 V HA 0.967 5.086 4.120 -0.002 0.000 0.318 46 V C -0.087 176.057 176.094 0.084 0.000 1.077 46 V CA -0.741 61.618 62.300 0.099 0.000 1.000 46 V CB 1.409 33.326 31.823 0.156 0.000 1.066 46 V HN 0.049 nan 8.190 nan 0.000 0.452 47 A N 1.226 124.112 122.820 0.110 0.000 2.608 47 A HA 0.783 5.102 4.320 -0.002 0.000 0.292 47 A C -1.206 176.433 177.584 0.093 0.000 1.066 47 A CA -0.050 52.033 52.037 0.076 0.000 0.676 47 A CB 1.726 20.742 19.000 0.028 0.000 1.277 47 A HN 2.163 nan 8.150 nan 0.000 0.413 48 V N 0.727 120.669 119.914 0.047 0.000 2.487 48 V HA 0.832 4.951 4.120 -0.002 0.000 0.298 48 V C -0.022 176.007 176.094 -0.108 0.000 1.028 48 V CA 0.311 62.603 62.300 -0.013 0.000 0.860 48 V CB 1.015 32.880 31.823 0.069 0.000 0.991 48 V HN 2.119 nan 8.190 nan 0.000 0.427 49 A N 8.688 131.386 122.820 -0.205 0.000 2.380 49 A HA 1.012 5.331 4.320 -0.002 0.000 0.315 49 A C -2.925 174.516 177.584 -0.238 0.000 1.101 49 A CA -1.994 49.918 52.037 -0.209 0.000 0.771 49 A CB 1.970 20.817 19.000 -0.255 0.000 1.287 49 A HN 0.698 nan 8.150 nan 0.000 0.436 50 P HA 0.177 nan 4.420 nan 0.000 0.272 50 P C -0.553 176.657 177.300 -0.150 0.000 1.223 50 P CA -0.209 62.825 63.100 -0.109 0.000 0.784 50 P CB 0.721 32.413 31.700 -0.013 0.000 0.923 51 L N 3.839 124.996 121.223 -0.110 0.000 2.385 51 L HA 0.233 4.572 4.340 -0.002 0.000 0.281 51 L C -0.770 176.018 176.870 -0.136 0.000 1.106 51 L CA 0.151 54.890 54.840 -0.168 0.000 0.856 51 L CB -0.105 41.904 42.059 -0.083 0.000 1.186 51 L HN 0.070 nan 8.230 nan 0.000 0.453 52 V N 5.891 125.685 119.914 -0.201 0.000 2.567 52 V HA 0.252 4.371 4.120 -0.002 0.000 0.298 52 V C -0.282 175.688 176.094 -0.206 0.000 1.047 52 V CA -0.863 61.352 62.300 -0.141 0.000 0.880 52 V CB 1.975 33.737 31.823 -0.101 0.000 1.009 52 V HN 0.411 nan 8.190 nan 0.000 0.429 53 V N 4.869 124.680 119.914 -0.171 0.000 2.493 53 V HA 0.411 4.530 4.120 -0.002 0.000 0.292 53 V C 1.481 177.481 176.094 -0.157 0.000 1.016 53 V CA 1.824 64.030 62.300 -0.156 0.000 1.097 53 V CB 0.334 32.107 31.823 -0.084 0.000 0.947 53 V HN 1.355 nan 8.190 nan 0.000 0.479 54 G N 3.698 112.410 108.800 -0.147 0.000 2.176 54 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.232 54 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.232 54 G C 0.223 175.018 174.900 -0.175 0.000 0.986 54 G CA 0.409 45.419 45.100 -0.150 0.000 0.643 54 G HN 0.645 nan 8.290 nan 0.000 0.522 55 L N -0.246 120.864 121.223 -0.188 0.000 2.666 55 L HA 0.414 4.753 4.340 -0.002 0.000 0.184 55 L C 2.476 179.244 176.870 -0.170 0.000 1.092 55 L CA 2.679 57.405 54.840 -0.190 0.000 0.857 55 L CB 0.190 42.113 42.059 -0.226 0.000 1.281 55 L HN 0.429 nan 8.230 nan 0.000 0.489 56 T N -2.828 111.592 114.554 -0.223 0.000 3.003 56 T HA 0.436 4.785 4.350 -0.002 0.000 0.261 56 T C 0.063 174.617 174.700 -0.243 0.000 1.003 56 T CA 0.484 62.422 62.100 -0.270 0.000 0.917 56 T CB -0.038 68.554 68.868 -0.460 0.000 1.084 56 T HN 0.094 nan 8.240 nan 0.000 0.522 57 V N -1.068 118.683 119.914 -0.271 0.000 3.114 57 V HA 0.750 4.869 4.120 -0.002 0.000 0.308 57 V C -0.530 175.515 176.094 -0.081 0.000 1.168 57 V CA -1.435 60.692 62.300 -0.287 0.000 1.015 57 V CB 2.212 33.488 31.823 -0.912 0.000 1.050 57 V HN 0.364 nan 8.190 nan 0.000 0.433 58 E N 1.372 121.620 120.200 0.080 0.000 2.410 58 E HA 0.229 4.578 4.350 -0.002 0.000 0.255 58 E C 0.709 177.344 176.600 0.058 0.000 1.194 58 E CA 0.359 56.798 56.400 0.065 0.000 0.955 58 E CB 1.100 30.847 29.700 0.078 0.000 0.988 58 E HN 0.632 nan 8.360 nan 0.000 0.461 59 S N 0.913 116.629 115.700 0.025 0.000 2.382 59 S HA -0.054 4.415 4.470 -0.002 0.000 0.228 59 S C 1.540 176.169 174.600 0.049 0.000 1.027 59 S CA 1.200 59.413 58.200 0.021 0.000 0.991 59 S CB -0.408 62.790 63.200 -0.004 0.000 0.823 59 S HN 0.766 nan 8.310 nan 0.000 0.469 60 G N 0.127 108.956 108.800 0.048 0.000 3.026 60 G HA2 0.094 4.053 3.960 -0.002 0.000 0.208 60 G HA3 0.094 4.053 3.960 -0.002 0.000 0.208 60 G C 0.186 175.115 174.900 0.048 0.000 1.169 60 G CA -0.557 44.564 45.100 0.035 0.000 0.788 60 G HN 0.386 nan 8.290 nan 0.000 0.533 61 F N 1.523 121.435 119.950 -0.063 0.000 2.604 61 F HA 0.102 4.628 4.527 -0.002 0.000 0.393 61 F C 0.721 176.480 175.800 -0.069 0.000 1.043 61 F CA 0.035 57.979 58.000 -0.093 0.000 1.227 61 F CB 0.569 39.488 39.000 -0.135 0.000 1.016 61 F HN 0.111 nan 8.300 nan 0.000 0.556 62 E N 5.038 124.955 120.200 -0.471 0.000 2.114 62 E HA 0.452 4.801 4.350 -0.002 0.000 0.266 62 E C 0.382 176.849 176.600 -0.221 0.000 0.896 62 E CA -0.196 56.076 56.400 -0.213 0.000 0.750 62 E CB 1.313 30.941 29.700 -0.119 0.000 1.121 62 E HN 0.829 nan 8.360 nan 0.000 0.413 63 A N 4.922 127.788 122.820 0.076 0.000 1.902 63 A HA -0.099 4.220 4.320 -0.002 0.000 0.217 63 A C 0.804 178.655 177.584 0.445 0.000 1.181 63 A CA 0.835 53.086 52.037 0.356 0.000 0.623 63 A CB -0.129 19.035 19.000 0.275 0.000 0.818 63 A HN 0.606 nan 8.150 nan 0.000 0.443 64 N N -0.305 118.575 118.700 0.300 0.000 2.488 64 N HA 0.413 5.152 4.740 -0.002 0.000 0.274 64 N C -0.932 174.692 175.510 0.190 0.000 1.111 64 N CA 0.275 53.484 53.050 0.264 0.000 0.974 64 N CB 1.871 40.475 38.487 0.196 0.000 1.089 64 N HN 0.182 nan 8.380 nan 0.000 0.465 65 V N 0.254 120.272 119.914 0.174 0.000 3.147 65 V HA 0.629 4.748 4.120 -0.002 0.000 0.299 65 V C -1.431 174.715 176.094 0.085 0.000 1.302 65 V CA -0.837 61.538 62.300 0.125 0.000 1.015 65 V CB 2.099 34.018 31.823 0.160 0.000 1.086 65 V HN 0.709 nan 8.190 nan 0.000 0.437 66 A N 4.753 127.613 122.820 0.067 0.000 2.341 66 A HA 0.682 5.001 4.320 -0.002 0.000 0.326 66 A C -0.180 177.421 177.584 0.027 0.000 1.402 66 A CA 0.090 52.158 52.037 0.051 0.000 0.957 66 A CB 0.525 19.556 19.000 0.052 0.000 1.151 66 A HN 1.892 nan 8.150 nan 0.000 0.533 67 V N 2.117 122.027 119.914 -0.007 0.000 2.775 67 V HA 0.475 4.595 4.120 -0.002 0.000 0.299 67 V C 0.240 176.290 176.094 -0.072 0.000 1.062 67 V CA -0.417 61.827 62.300 -0.094 0.000 1.063 67 V CB 1.203 32.862 31.823 -0.273 0.000 0.994 67 V HN 0.472 nan 8.190 nan 0.000 0.483 68 V N 6.243 126.139 119.914 -0.029 0.000 2.397 68 V HA 0.105 4.224 4.120 -0.002 0.000 0.262 68 V C 1.210 177.291 176.094 -0.021 0.000 1.047 68 V CA 0.608 62.918 62.300 0.016 0.000 1.003 68 V CB 0.667 32.548 31.823 0.096 0.000 1.037 68 V HN 1.028 nan 8.190 nan 0.000 0.480 69 V N 2.462 122.375 119.914 -0.001 0.000 3.307 69 V HA 0.697 4.816 4.120 -0.002 0.000 0.253 69 V C 0.838 177.047 176.094 0.191 0.000 1.149 69 V CA 1.077 63.426 62.300 0.081 0.000 1.112 69 V CB -0.077 31.846 31.823 0.166 0.000 0.777 69 V HN 0.855 nan 8.190 nan 0.000 0.464 70 G N 0.077 108.940 108.800 0.104 0.000 2.494 70 G HA2 0.583 4.542 3.960 -0.002 0.000 0.308 70 G HA3 0.583 4.542 3.960 -0.002 0.000 0.308 70 G C -1.137 173.763 174.900 -0.000 0.000 1.263 70 G CA 0.089 45.246 45.100 0.094 0.000 0.840 70 G HN 0.999 nan 8.290 nan 0.000 0.479 71 S N -1.318 114.386 115.700 0.007 0.000 2.588 71 S HA 0.880 5.349 4.470 -0.002 0.000 0.275 71 S C -0.754 173.850 174.600 0.006 0.000 1.130 71 S CA -0.899 57.275 58.200 -0.043 0.000 0.855 71 S CB 2.644 65.791 63.200 -0.089 0.000 1.116 71 S HN 0.863 nan 8.310 nan 0.000 0.472 72 R N 0.049 120.550 120.500 0.002 0.000 2.930 72 R HA 0.804 5.143 4.340 -0.002 0.000 0.257 72 R C -0.389 175.927 176.300 0.026 0.000 1.107 72 R CA -0.910 55.202 56.100 0.020 0.000 0.999 72 R CB 1.530 31.844 30.300 0.023 0.000 1.209 72 R HN 0.865 nan 8.270 nan 0.000 0.486 73 T N -1.762 112.807 114.554 0.025 0.000 2.936 73 T HA 0.638 4.987 4.350 -0.002 0.000 0.282 73 T C -0.070 174.649 174.700 0.032 0.000 1.003 73 T CA -0.510 61.608 62.100 0.030 0.000 1.005 73 T CB 1.647 70.525 68.868 0.016 0.000 1.097 73 T HN 0.644 nan 8.240 nan 0.000 0.532 81 V N 2.499 122.497 119.914 0.140 0.000 2.487 81 V HA 0.739 4.858 4.120 -0.002 0.000 0.298 81 V C 0.439 176.591 176.094 0.097 0.000 1.028 81 V CA 0.071 62.443 62.300 0.119 0.000 0.860 81 V CB 1.933 33.851 31.823 0.157 0.000 0.991 81 V HN 1.388 nan 8.190 nan 0.000 0.427 82 S N 5.681 121.403 115.700 0.036 0.000 2.638 82 S HA 0.817 5.286 4.470 -0.002 0.000 0.298 82 S C -0.587 173.965 174.600 -0.080 0.000 1.111 82 S CA -0.808 57.403 58.200 0.018 0.000 1.027 82 S CB 1.505 64.726 63.200 0.035 0.000 1.064 82 S HN 0.473 nan 8.310 nan 0.000 0.525 83 L N 1.128 122.290 121.223 -0.102 0.000 2.399 83 L HA 0.558 4.897 4.340 -0.002 0.000 0.265 83 L C 0.323 177.165 176.870 -0.047 0.000 1.089 83 L CA -0.763 53.990 54.840 -0.145 0.000 0.802 83 L CB 0.981 42.935 42.059 -0.175 0.000 1.180 83 L HN 0.723 nan 8.230 nan 0.000 0.454 84 K N 1.883 122.265 120.400 -0.030 0.000 2.244 84 K HA 0.659 4.978 4.320 -0.002 0.000 0.260 84 K C -1.658 174.958 176.600 0.026 0.000 0.951 84 K CA -0.608 55.690 56.287 0.018 0.000 0.826 84 K CB 1.286 33.815 32.500 0.049 0.000 1.108 84 K HN 0.321 nan 8.250 nan 0.000 0.433 85 L N 2.001 123.247 121.223 0.037 0.000 2.381 85 L HA 0.490 4.829 4.340 -0.002 0.000 0.268 85 L C -0.281 176.623 176.870 0.057 0.000 0.997 85 L CA -0.550 54.314 54.840 0.039 0.000 0.818 85 L CB 2.166 44.247 42.059 0.036 0.000 1.310 85 L HN 0.635 nan 8.230 nan 0.000 0.416 86 T N 3.053 117.647 114.554 0.067 0.000 2.881 86 T HA 0.635 4.984 4.350 -0.002 0.000 0.290 86 T C -2.853 171.897 174.700 0.084 0.000 1.000 86 T CA -1.719 60.435 62.100 0.089 0.000 0.978 86 T CB 1.780 70.736 68.868 0.146 0.000 0.997 86 T HN 0.313 nan 8.240 nan 0.000 0.443 87 P HA 0.465 nan 4.420 nan 0.000 0.274 87 P C -0.795 176.542 177.300 0.062 0.000 1.231 87 P CA -0.243 62.893 63.100 0.059 0.000 0.790 87 P CB 1.349 33.072 31.700 0.039 0.000 0.951 88 S N 0.014 115.762 115.700 0.079 0.000 2.627 88 S HA 0.413 4.882 4.470 -0.002 0.000 0.268 88 S C -1.590 173.094 174.600 0.140 0.000 1.130 88 S CA -0.713 57.526 58.200 0.065 0.000 0.819 88 S CB 0.495 63.712 63.200 0.027 0.000 1.100 88 S HN 0.741 nan 8.310 nan 0.000 0.465 89 H N 0.229 119.347 119.070 0.080 0.000 2.834 89 H HA 0.557 5.112 4.556 -0.002 0.000 0.369 89 H C -1.549 173.896 175.328 0.195 0.000 1.174 89 H CA -0.594 55.584 56.048 0.217 0.000 1.165 89 H CB 0.072 30.020 29.762 0.310 0.000 1.820 89 H HN 0.587 nan 8.280 nan 0.000 0.558 90 Y N 0.690 121.254 120.300 0.440 0.000 2.425 90 Y HA 0.051 4.600 4.550 -0.002 0.000 0.331 90 Y C 1.496 177.623 175.900 0.380 0.000 1.157 90 Y CA 0.534 58.865 58.100 0.386 0.000 1.372 90 Y CB 0.903 39.676 38.460 0.522 0.000 1.253 90 Y HN 0.670 nan 8.280 nan 0.000 0.536 91 S N 1.415 117.307 115.700 0.319 0.000 2.563 91 S HA -0.089 4.380 4.470 -0.002 0.000 0.284 91 S C 1.403 176.193 174.600 0.317 0.000 1.331 91 S CA -0.013 58.338 58.200 0.253 0.000 1.047 91 S CB 0.492 63.841 63.200 0.248 0.000 0.859 91 S HN 0.796 nan 8.310 nan 0.000 0.514 92 S N 2.283 118.134 115.700 0.252 0.000 2.595 92 S HA 0.089 4.559 4.470 -0.002 0.000 0.235 92 S C 0.285 174.938 174.600 0.089 0.000 0.974 92 S CA 0.530 58.881 58.200 0.251 0.000 0.942 92 S CB -0.785 62.514 63.200 0.164 0.000 0.766 92 S HN 0.906 nan 8.310 nan 0.000 0.536 93 S N -0.273 115.424 115.700 -0.006 0.000 2.537 93 S HA 0.636 5.105 4.470 -0.002 0.000 0.270 93 S C -0.691 173.628 174.600 -0.469 0.000 1.142 93 S CA -0.605 57.465 58.200 -0.216 0.000 0.870 93 S CB 1.514 64.572 63.200 -0.237 0.000 1.112 93 S HN 0.417 nan 8.310 nan 0.000 0.466 94 V N 0.067 119.676 119.914 -0.507 0.000 2.834 94 V HA 0.753 4.872 4.120 -0.002 0.000 0.313 94 V C -1.518 174.168 176.094 -0.681 0.000 1.060 94 V CA -0.937 61.084 62.300 -0.465 0.000 0.989 94 V CB 0.577 32.242 31.823 -0.263 0.000 1.041 94 V HN 0.890 nan 8.190 nan 0.000 0.459 95 Y N 1.482 121.900 120.300 0.197 0.000 2.464 95 Y HA 0.570 5.119 4.550 -0.001 0.000 0.326 95 Y C 0.180 176.308 175.900 0.380 0.000 0.969 95 Y CA -0.908 57.328 58.100 0.226 0.000 1.270 95 Y CB 1.472 40.051 38.460 0.199 0.000 1.103 95 Y HN 0.475 nan 8.280 nan 0.000 0.491 96 V N 5.812 125.941 119.914 0.358 0.000 2.381 96 V HA -0.087 4.032 4.120 -0.002 0.000 0.257 96 V C 0.527 176.847 176.094 0.377 0.000 1.057 96 V CA 0.121 62.634 62.300 0.355 0.000 1.013 96 V CB -0.941 30.978 31.823 0.160 0.000 1.069 96 V HN 0.748 nan 8.190 nan 0.000 0.484 97 F N 2.322 122.430 119.950 0.263 0.000 2.695 97 F HA 0.490 5.016 4.527 -0.002 0.000 0.303 97 F C 0.433 176.381 175.800 0.247 0.000 1.091 97 F CA -0.644 57.487 58.000 0.217 0.000 1.300 97 F CB -0.341 38.781 39.000 0.204 0.000 1.071 97 F HN 0.507 nan 8.300 nan 0.000 0.578 98 H N -0.390 118.517 119.070 -0.271 0.000 3.179 98 H HA 0.498 5.053 4.556 -0.002 0.000 0.331 98 H C 0.334 175.591 175.328 -0.120 0.000 1.013 98 H CA -0.587 55.323 56.048 -0.231 0.000 1.430 98 H CB 1.277 30.795 29.762 -0.407 0.000 1.895 98 H HN 0.246 nan 8.280 nan 0.000 0.468 99 G N 2.393 110.950 108.800 -0.406 0.000 2.205 99 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.180 99 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.180 99 G C 1.404 176.176 174.900 -0.214 0.000 1.004 99 G CA 0.039 44.975 45.100 -0.274 0.000 0.670 99 G HN 1.049 nan 8.290 nan 0.000 0.496 100 G N 1.436 110.146 108.800 -0.151 0.000 2.485 100 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.221 100 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.221 100 G C 1.774 176.598 174.900 -0.126 0.000 1.115 100 G CA 1.650 46.701 45.100 -0.081 0.000 0.751 100 G HN 0.868 nan 8.290 nan 0.000 0.567 101 R N 0.304 120.648 120.500 -0.259 0.000 2.159 101 R HA -0.112 4.227 4.340 -0.002 0.000 0.237 101 R C 1.418 177.594 176.300 -0.207 0.000 1.131 101 R CA 1.438 57.384 56.100 -0.256 0.000 0.982 101 R CB -0.911 29.181 30.300 -0.347 0.000 0.868 101 R HN 0.396 nan 8.270 nan 0.000 0.453 102 H N 0.616 119.670 119.070 -0.027 0.000 2.547 102 H HA 0.278 4.833 4.556 -0.002 0.000 0.266 102 H C 0.369 175.691 175.328 -0.010 0.000 0.988 102 H CA 0.181 56.219 56.048 -0.017 0.000 1.147 102 H CB 0.068 29.819 29.762 -0.018 0.000 1.365 102 H HN 0.098 nan 8.280 nan 0.000 0.589 103 L N 2.126 123.386 121.223 0.063 0.000 2.296 103 L HA 0.183 4.522 4.340 -0.002 0.000 0.286 103 L C -0.289 176.599 176.870 0.030 0.000 1.023 103 L CA -1.065 53.798 54.840 0.038 0.000 0.812 103 L CB 1.517 43.584 42.059 0.013 0.000 1.223 103 L HN -0.077 nan 8.230 nan 0.000 0.421 104 D N 4.224 124.646 120.400 0.036 0.000 2.458 104 D HA 0.144 4.783 4.640 -0.002 0.000 0.243 104 D C -2.248 174.079 176.300 0.044 0.000 1.146 104 D CA -1.100 52.926 54.000 0.044 0.000 0.877 104 D CB 0.091 40.922 40.800 0.051 0.000 1.176 104 D HN 0.179 nan 8.370 nan 0.000 0.461 105 P HA -0.006 nan 4.420 nan 0.000 0.264 105 P C 0.503 177.853 177.300 0.083 0.000 1.183 105 P CA 0.095 63.230 63.100 0.058 0.000 0.763 105 P CB 0.588 32.326 31.700 0.064 0.000 0.807 106 S N 0.191 115.937 115.700 0.078 0.000 2.440 106 S HA -0.043 4.426 4.470 -0.002 0.000 0.238 106 S C 0.687 175.421 174.600 0.223 0.000 1.010 106 S CA 1.288 59.566 58.200 0.130 0.000 0.972 106 S CB -0.360 62.870 63.200 0.051 0.000 0.774 106 S HN 0.592 nan 8.310 nan 0.000 0.501 107 T N -0.134 114.515 114.554 0.158 0.000 2.889 107 T HA 0.279 4.628 4.350 -0.002 0.000 0.315 107 T C 0.079 174.848 174.700 0.116 0.000 1.291 107 T CA -0.712 61.484 62.100 0.159 0.000 1.028 107 T CB 1.953 70.907 68.868 0.144 0.000 1.235 107 T HN -0.097 nan 8.240 nan 0.000 0.491 108 Q N 0.536 120.400 119.800 0.107 0.000 2.432 108 Q HA 0.298 4.637 4.340 -0.002 0.000 0.205 108 Q C 1.036 177.050 176.000 0.023 0.000 0.945 108 Q CA 0.027 55.867 55.803 0.062 0.000 0.924 108 Q CB 0.109 28.874 28.738 0.045 0.000 1.016 108 Q HN 0.836 nan 8.270 nan 0.000 0.503 109 A N 3.529 126.366 122.820 0.029 0.000 2.600 109 A HA -0.024 4.295 4.320 -0.002 0.000 0.244 109 A C -2.102 175.508 177.584 0.043 0.000 1.016 109 A CA -0.429 51.627 52.037 0.030 0.000 0.778 109 A CB -0.286 18.750 19.000 0.059 0.000 0.920 109 A HN 0.110 nan 8.150 nan 0.000 0.513 110 P HA 0.255 nan 4.420 nan 0.000 0.287 110 P C -0.586 176.746 177.300 0.054 0.000 1.270 110 P CA -0.682 62.446 63.100 0.048 0.000 0.844 110 P CB 0.807 32.534 31.700 0.045 0.000 1.068 111 N N 0.869 119.600 118.700 0.051 0.000 2.714 111 N HA -0.145 4.594 4.740 -0.002 0.000 0.253 111 N C 0.882 176.426 175.510 0.058 0.000 1.024 111 N CA 0.342 53.422 53.050 0.051 0.000 0.726 111 N CB -1.233 37.281 38.487 0.044 0.000 0.908 111 N HN 0.501 nan 8.380 nan 0.000 0.542 112 L N -0.457 120.804 121.223 0.063 0.000 2.156 112 L HA -0.089 4.250 4.340 -0.002 0.000 0.208 112 L C 2.217 179.134 176.870 0.078 0.000 1.095 112 L CA 1.279 56.163 54.840 0.072 0.000 0.770 112 L CB -0.324 41.779 42.059 0.073 0.000 0.914 112 L HN 0.232 nan 8.230 nan 0.000 0.439 113 T N -0.704 113.894 114.554 0.072 0.000 2.746 113 T HA -0.227 4.122 4.350 -0.002 0.000 0.267 113 T C 2.002 176.744 174.700 0.071 0.000 1.039 113 T CA 1.298 63.444 62.100 0.076 0.000 1.142 113 T CB -0.183 68.727 68.868 0.068 0.000 0.866 113 T HN 0.277 nan 8.240 nan 0.000 0.444 114 R N 0.484 121.018 120.500 0.058 0.000 2.066 114 R HA -0.036 4.303 4.340 -0.002 0.000 0.232 114 R C 2.451 178.781 176.300 0.051 0.000 1.131 114 R CA 1.112 57.240 56.100 0.047 0.000 0.955 114 R CB -0.507 29.814 30.300 0.036 0.000 0.851 114 R HN 0.305 nan 8.270 nan 0.000 0.432 115 L N 0.829 122.088 121.223 0.061 0.000 2.042 115 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 115 L C 2.126 179.058 176.870 0.103 0.000 1.076 115 L CA 1.801 56.683 54.840 0.069 0.000 0.749 115 L CB -0.750 41.353 42.059 0.074 0.000 0.893 115 L HN 0.296 nan 8.230 nan 0.000 0.432 116 C N -0.385 118.991 119.300 0.127 0.000 2.453 116 C HA -0.121 4.338 4.460 -0.002 0.000 0.277 116 C C 2.698 177.770 174.990 0.138 0.000 1.262 116 C CA 0.823 59.959 59.018 0.195 0.000 1.718 116 C CB -0.924 26.934 27.740 0.197 0.000 2.031 116 C HN 0.648 nan 8.230 nan 0.000 0.480 117 E N 1.642 121.894 120.200 0.085 0.000 2.033 117 E HA -0.266 4.083 4.350 -0.002 0.000 0.199 117 E C 2.286 178.893 176.600 0.013 0.000 1.011 117 E CA 2.089 58.515 56.400 0.043 0.000 0.815 117 E CB -0.280 29.443 29.700 0.038 0.000 0.755 117 E HN 0.787 nan 8.360 nan 0.000 0.451 118 R N 0.209 120.718 120.500 0.014 0.000 2.148 118 R HA 0.106 4.445 4.340 -0.002 0.000 0.223 118 R C 2.272 178.562 176.300 -0.017 0.000 1.088 118 R CA 1.394 57.483 56.100 -0.017 0.000 0.985 118 R CB -0.601 29.679 30.300 -0.033 0.000 0.880 118 R HN 0.102 nan 8.270 nan 0.000 0.451 119 A N 1.448 124.297 122.820 0.049 0.000 1.898 119 A HA -0.064 4.255 4.320 -0.002 0.000 0.216 119 A C 2.291 179.925 177.584 0.083 0.000 1.181 119 A CA 1.220 53.330 52.037 0.122 0.000 0.620 119 A CB -0.553 18.660 19.000 0.354 0.000 0.819 119 A HN 0.388 nan 8.150 nan 0.000 0.442 120 R N -0.401 120.033 120.500 -0.109 0.000 2.105 120 R HA -0.105 4.234 4.340 -0.002 0.000 0.239 120 R C 2.299 178.525 176.300 -0.123 0.000 1.135 120 R CA 1.473 57.294 56.100 -0.466 0.000 0.967 120 R CB -0.207 29.833 30.300 -0.433 0.000 0.861 120 R HN 0.489 nan 8.270 nan 0.000 0.442 121 R N -1.382 119.079 120.500 -0.065 0.000 2.115 121 R HA -0.115 4.224 4.340 -0.002 0.000 0.226 121 R C 2.219 178.502 176.300 -0.029 0.000 1.100 121 R CA 1.209 57.283 56.100 -0.042 0.000 0.980 121 R CB -0.393 29.877 30.300 -0.050 0.000 0.875 121 R HN 0.517 nan 8.270 nan 0.000 0.445 122 H N -0.523 118.412 119.070 -0.225 0.000 2.357 122 H HA -0.094 4.461 4.556 -0.002 0.000 0.301 122 H C 0.868 175.996 175.328 -0.334 0.000 1.082 122 H CA 1.211 57.034 56.048 -0.374 0.000 1.342 122 H CB 0.213 29.589 29.762 -0.643 0.000 1.389 122 H HN 0.097 nan 8.280 nan 0.000 0.511 123 F N -0.478 119.535 119.950 0.105 0.000 2.765 123 F HA 0.244 4.770 4.527 -0.002 0.000 0.302 123 F C 1.861 177.784 175.800 0.204 0.000 1.111 123 F CA 0.728 58.836 58.000 0.179 0.000 1.359 123 F CB 0.585 39.847 39.000 0.437 0.000 1.097 123 F HN 0.363 nan 8.300 nan 0.000 0.577 124 G N -0.381 108.554 108.800 0.225 0.000 2.157 124 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.239 124 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.239 124 G C 0.162 175.052 174.900 -0.017 0.000 0.982 124 G CA -0.545 44.630 45.100 0.125 0.000 0.650 124 G HN 0.162 nan 8.290 nan 0.000 0.527 125 F N 2.246 122.205 119.950 0.015 0.000 2.382 125 F HA 0.596 5.122 4.527 -0.001 0.000 0.331 125 F C 1.392 177.168 175.800 -0.040 0.000 1.121 125 F CA -0.021 57.964 58.000 -0.024 0.000 1.183 125 F CB 1.228 40.140 39.000 -0.148 0.000 1.207 125 F HN 0.250 nan 8.300 nan 0.000 0.555 126 S N 0.222 116.036 115.700 0.191 0.000 2.632 126 S HA 0.359 4.828 4.470 -0.002 0.000 0.267 126 S C -0.772 173.927 174.600 0.165 0.000 1.276 126 S CA -0.952 57.334 58.200 0.143 0.000 0.998 126 S CB 1.412 64.702 63.200 0.149 0.000 0.953 126 S HN 0.574 nan 8.310 nan 0.000 0.547 127 D N -0.556 119.920 120.400 0.126 0.000 2.340 127 D HA 0.278 4.917 4.640 -0.002 0.000 0.243 127 D C -1.114 175.270 176.300 0.141 0.000 0.988 127 D CA -0.505 53.575 54.000 0.135 0.000 0.959 127 D CB 1.188 42.027 40.800 0.066 0.000 1.226 127 D HN 0.615 nan 8.370 nan 0.000 0.509 128 Y N 0.898 121.186 120.300 -0.020 0.000 2.544 128 Y HA 0.165 4.714 4.550 -0.002 0.000 0.330 128 Y C -0.326 175.468 175.900 -0.178 0.000 1.136 128 Y CA 0.222 58.159 58.100 -0.271 0.000 1.417 128 Y CB 0.318 38.542 38.460 -0.393 0.000 1.229 128 Y HN -0.012 nan 8.280 nan 0.000 0.532 129 T N 9.168 123.265 114.554 -0.762 0.000 3.141 129 T HA 0.237 4.586 4.350 -0.002 0.000 0.377 129 T C -2.724 171.560 174.700 -0.692 0.000 1.258 129 T CA -1.131 60.615 62.100 -0.591 0.000 1.263 129 T CB 0.493 69.209 68.868 -0.254 0.000 1.066 129 T HN 0.490 nan 8.240 nan 0.000 0.546 130 P HA 0.191 nan 4.420 nan 0.000 0.268 130 P C -0.283 176.865 177.300 -0.254 0.000 1.204 130 P CA -0.466 62.352 63.100 -0.470 0.000 0.768 130 P CB 0.950 32.550 31.700 -0.166 0.000 0.842 131 R N 4.076 124.445 120.500 -0.218 0.000 2.489 131 R HA 0.091 4.430 4.340 -0.002 0.000 0.287 131 R C -1.461 174.767 176.300 -0.121 0.000 1.053 131 R CA -1.226 54.783 56.100 -0.151 0.000 1.036 131 R CB -0.253 29.968 30.300 -0.131 0.000 0.966 131 R HN 0.386 nan 8.270 nan 0.000 0.432 132 P HA -0.198 nan 4.420 nan 0.000 0.215 132 P C 1.116 178.367 177.300 -0.083 0.000 1.163 132 P CA 1.424 64.484 63.100 -0.067 0.000 0.894 132 P CB 0.098 31.763 31.700 -0.058 0.000 0.791 133 G N -1.401 107.341 108.800 -0.097 0.000 2.807 133 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.207 133 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.207 133 G C 0.753 175.538 174.900 -0.192 0.000 1.151 133 G CA 0.390 45.418 45.100 -0.120 0.000 0.800 133 G HN 0.209 nan 8.290 nan 0.000 0.523 134 D N -0.317 119.954 120.400 -0.215 0.000 2.422 134 D HA 0.046 4.685 4.640 -0.002 0.000 0.218 134 D C 2.324 178.589 176.300 -0.060 0.000 1.047 134 D CA -0.243 53.537 54.000 -0.366 0.000 0.885 134 D CB 0.165 40.614 40.800 -0.585 0.000 1.035 134 D HN 0.108 nan 8.370 nan 0.000 0.502 135 L N 2.077 123.355 121.223 0.091 0.000 2.089 135 L HA -0.212 4.127 4.340 -0.002 0.000 0.213 135 L C 2.284 179.176 176.870 0.037 0.000 1.079 135 L CA 1.586 56.548 54.840 0.203 0.000 0.758 135 L CB -0.850 41.253 42.059 0.074 0.000 0.891 135 L HN 0.163 nan 8.230 nan 0.000 0.433 136 K N -1.558 118.742 120.400 -0.167 0.000 2.442 136 K HA -0.167 4.152 4.320 -0.002 0.000 0.198 136 K C 1.060 177.502 176.600 -0.264 0.000 1.044 136 K CA 1.385 57.516 56.287 -0.261 0.000 0.948 136 K CB -0.285 31.977 32.500 -0.396 0.000 0.762 136 K HN 0.454 nan 8.250 nan 0.000 0.472 137 H N 0.568 119.651 119.070 0.022 0.000 2.652 137 H HA 0.157 4.712 4.556 -0.002 0.000 0.274 137 H C -0.172 175.315 175.328 0.264 0.000 1.021 137 H CA -0.286 55.819 56.048 0.095 0.000 1.187 137 H CB 0.222 29.904 29.762 -0.134 0.000 1.505 137 H HN 0.432 nan 8.280 nan 0.000 0.530 138 E N 1.678 122.021 120.200 0.239 0.000 2.415 138 E HA 0.019 4.368 4.350 -0.002 0.000 0.262 138 E C -0.493 176.100 176.600 -0.012 0.000 1.038 138 E CA 0.207 56.498 56.400 -0.182 0.000 0.921 138 E CB 0.706 30.065 29.700 -0.568 0.000 0.950 138 E HN -0.028 nan 8.360 nan 0.000 0.438 139 T N 4.154 118.716 114.554 0.013 0.000 2.801 139 T HA 0.199 4.548 4.350 -0.002 0.000 0.306 139 T C -0.356 174.406 174.700 0.103 0.000 1.020 139 T CA -0.589 61.596 62.100 0.142 0.000 0.948 139 T CB 0.827 69.895 68.868 0.333 0.000 0.962 139 T HN 0.584 nan 8.240 nan 0.000 0.465 140 T N 0.800 115.388 114.554 0.056 0.000 2.882 140 T HA 0.455 4.804 4.350 -0.002 0.000 0.287 140 T C 1.801 176.522 174.700 0.035 0.000 1.014 140 T CA -0.371 61.755 62.100 0.042 0.000 1.049 140 T CB 1.278 70.148 68.868 0.003 0.000 1.001 140 T HN 0.442 nan 8.240 nan 0.000 0.525 141 G N 0.792 109.567 108.800 -0.040 0.000 2.446 141 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.217 141 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.217 141 G C 1.212 175.895 174.900 -0.362 0.000 1.168 141 G CA 0.842 45.735 45.100 -0.346 0.000 0.771 141 G HN 0.800 nan 8.290 nan 0.000 0.551 142 E N 0.945 120.992 120.200 -0.254 0.000 2.070 142 E HA -0.085 4.264 4.350 -0.002 0.000 0.197 142 E C 2.820 179.375 176.600 -0.075 0.000 1.004 142 E CA 1.381 57.707 56.400 -0.124 0.000 0.805 142 E CB -0.600 29.077 29.700 -0.037 0.000 0.744 142 E HN 0.392 nan 8.360 nan 0.000 0.451 143 A N 0.634 123.427 122.820 -0.044 0.000 1.883 143 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 143 A C 2.265 179.833 177.584 -0.027 0.000 1.186 143 A CA 1.530 53.558 52.037 -0.016 0.000 0.624 143 A CB -0.799 18.211 19.000 0.016 0.000 0.822 143 A HN 0.217 nan 8.150 nan 0.000 0.444 144 L N -0.971 120.233 121.223 -0.031 0.000 2.056 144 L HA -0.221 4.118 4.340 -0.002 0.000 0.207 144 L C 2.715 179.534 176.870 -0.085 0.000 1.078 144 L CA 1.158 55.972 54.840 -0.044 0.000 0.749 144 L CB -0.654 41.399 42.059 -0.010 0.000 0.901 144 L HN 0.499 nan 8.230 nan 0.000 0.433 145 C N -0.290 118.950 119.300 -0.100 0.000 2.411 145 C HA -0.171 4.288 4.460 -0.002 0.000 0.279 145 C C 2.681 177.627 174.990 -0.073 0.000 1.288 145 C CA 0.746 59.711 59.018 -0.088 0.000 1.764 145 C CB -0.688 27.008 27.740 -0.073 0.000 1.974 145 C HN 0.508 nan 8.230 nan 0.000 0.498 146 E N 0.349 120.513 120.200 -0.059 0.000 2.028 146 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 146 E C 2.466 179.029 176.600 -0.061 0.000 0.988 146 E CA 0.991 57.364 56.400 -0.045 0.000 0.799 146 E CB -0.058 29.624 29.700 -0.029 0.000 0.755 146 E HN 0.543 nan 8.360 nan 0.000 0.447 147 R N 0.107 120.566 120.500 -0.069 0.000 2.091 147 R HA -0.120 4.219 4.340 -0.002 0.000 0.238 147 R C 2.358 178.575 176.300 -0.139 0.000 1.136 147 R CA 1.087 57.138 56.100 -0.082 0.000 0.959 147 R CB -0.245 30.010 30.300 -0.075 0.000 0.856 147 R HN 0.244 nan 8.270 nan 0.000 0.437 148 L N -0.317 120.787 121.223 -0.198 0.000 2.492 148 L HA 0.136 4.475 4.340 -0.002 0.000 0.223 148 L C 0.864 177.576 176.870 -0.264 0.000 1.132 148 L CA 0.342 54.955 54.840 -0.378 0.000 0.850 148 L CB -0.186 41.595 42.059 -0.463 0.000 0.966 148 L HN 0.426 nan 8.230 nan 0.000 0.454 149 G N 1.503 110.225 108.800 -0.131 0.000 2.353 149 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.294 149 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.294 149 G C -0.392 174.486 174.900 -0.035 0.000 1.077 149 G CA -0.013 45.049 45.100 -0.063 0.000 1.098 149 G HN 0.225 nan 8.290 nan 0.000 0.511 150 L N -0.469 120.735 121.223 -0.033 0.000 2.333 150 L HA 0.550 4.889 4.340 -0.002 0.000 0.263 150 L C -0.203 176.677 176.870 0.018 0.000 1.014 150 L CA -1.288 53.553 54.840 0.003 0.000 0.820 150 L CB 1.823 43.886 42.059 0.008 0.000 1.352 150 L HN 0.175 nan 8.230 nan 0.000 0.421 151 D N 2.196 122.617 120.400 0.036 0.000 2.336 151 D HA 0.160 4.799 4.640 -0.002 0.000 0.249 151 D C -1.831 174.523 176.300 0.090 0.000 1.213 151 D CA -1.859 52.170 54.000 0.049 0.000 0.870 151 D CB 1.621 42.445 40.800 0.040 0.000 1.076 151 D HN 0.136 nan 8.370 nan 0.000 0.483 152 P HA -0.099 nan 4.420 nan 0.000 0.223 152 P C 0.063 177.500 177.300 0.229 0.000 1.140 152 P CA 0.998 64.213 63.100 0.192 0.000 0.783 152 P CB 0.331 32.109 31.700 0.129 0.000 0.759 153 D N -2.409 118.082 120.400 0.151 0.000 2.433 153 D HA 0.105 4.744 4.640 -0.002 0.000 0.211 153 D C 0.745 177.185 176.300 0.233 0.000 1.114 153 D CA 0.214 54.304 54.000 0.150 0.000 0.837 153 D CB 0.479 41.340 40.800 0.102 0.000 0.984 153 D HN 0.076 nan 8.370 nan 0.000 0.505 154 R N 0.927 121.520 120.500 0.155 0.000 2.782 154 R HA 0.606 4.945 4.340 -0.002 0.000 0.293 154 R C -0.807 175.522 176.300 0.049 0.000 1.333 154 R CA -0.209 55.903 56.100 0.020 0.000 1.479 154 R CB 1.552 31.841 30.300 -0.018 0.000 1.306 154 R HN -0.019 nan 8.270 nan 0.000 0.654 155 A N 0.704 123.633 122.820 0.180 0.000 2.594 155 A HA 0.736 5.055 4.320 -0.002 0.000 0.295 155 A C -1.470 176.248 177.584 0.225 0.000 1.071 155 A CA -0.554 51.583 52.037 0.167 0.000 0.685 155 A CB 1.686 20.788 19.000 0.170 0.000 1.285 155 A HN 0.273 nan 8.150 nan 0.000 0.405 156 L N 1.358 122.688 121.223 0.179 0.000 2.381 156 L HA 0.603 4.942 4.340 -0.002 0.000 0.274 156 L C -1.605 175.339 176.870 0.124 0.000 0.988 156 L CA -0.646 54.309 54.840 0.192 0.000 0.824 156 L CB 1.850 44.062 42.059 0.255 0.000 1.263 156 L HN 0.606 nan 8.230 nan 0.000 0.410 157 L N 4.849 126.086 121.223 0.022 0.000 2.356 157 L HA 0.596 4.935 4.340 -0.002 0.000 0.277 157 L C -0.916 175.924 176.870 -0.050 0.000 0.996 157 L CA -0.452 54.274 54.840 -0.190 0.000 0.822 157 L CB 1.511 43.233 42.059 -0.561 0.000 1.256 157 L HN 0.378 nan 8.230 nan 0.000 0.413 158 Y N 1.595 122.049 120.300 0.257 0.000 2.571 158 Y HA 0.774 5.323 4.550 -0.002 0.000 0.341 158 Y C -1.380 174.845 175.900 0.542 0.000 1.076 158 Y CA -1.674 56.695 58.100 0.447 0.000 1.029 158 Y CB 1.291 39.883 38.460 0.219 0.000 1.308 158 Y HN 0.390 nan 8.280 nan 0.000 0.461 159 L N 2.980 124.637 121.223 0.724 0.000 2.275 159 L HA 0.732 5.071 4.340 -0.002 0.000 0.288 159 L C -1.206 175.973 176.870 0.515 0.000 1.046 159 L CA -0.606 54.569 54.840 0.557 0.000 0.805 159 L CB 1.282 43.617 42.059 0.460 0.000 1.193 159 L HN 0.638 nan 8.230 nan 0.000 0.426 160 V N 6.457 126.654 119.914 0.472 0.000 2.334 160 V HA 0.586 4.705 4.120 -0.002 0.000 0.281 160 V C -0.276 176.205 176.094 0.645 0.000 1.016 160 V CA -0.469 62.103 62.300 0.454 0.000 0.832 160 V CB 1.380 33.352 31.823 0.248 0.000 0.999 160 V HN 0.637 nan 8.190 nan 0.000 0.439 161 V N 2.027 122.268 119.914 0.545 0.000 3.074 161 V HA 0.709 4.828 4.120 -0.002 0.000 0.314 161 V C 0.237 176.297 176.094 -0.057 0.000 1.117 161 V CA -0.930 61.529 62.300 0.265 0.000 1.014 161 V CB 2.118 34.073 31.823 0.220 0.000 1.057 161 V HN 0.783 nan 8.190 nan 0.000 0.438 162 T N -1.448 112.920 114.554 -0.311 0.000 2.897 162 T HA 0.290 4.639 4.350 -0.002 0.000 0.294 162 T C 0.815 175.425 174.700 -0.151 0.000 1.004 162 T CA -0.424 61.459 62.100 -0.362 0.000 1.106 162 T CB 1.347 70.060 68.868 -0.258 0.000 0.949 162 T HN 0.697 nan 8.240 nan 0.000 0.520 163 E N 2.462 122.507 120.200 -0.259 0.000 2.147 163 E HA -0.144 4.205 4.350 -0.002 0.000 0.199 163 E C 2.219 178.657 176.600 -0.271 0.000 1.005 163 E CA 1.743 57.988 56.400 -0.258 0.000 0.810 163 E CB -0.744 28.674 29.700 -0.471 0.000 0.736 163 E HN 0.974 nan 8.360 nan 0.000 0.460 164 G N -1.357 107.231 108.800 -0.354 0.000 2.744 164 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.211 164 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.211 164 G C 0.788 175.008 174.900 -1.132 0.000 1.143 164 G CA 0.064 44.754 45.100 -0.682 0.000 0.788 164 G HN 0.159 nan 8.290 nan 0.000 0.534 165 F N -0.311 119.520 119.950 -0.199 0.000 2.838 165 F HA 0.205 4.731 4.527 -0.002 0.000 0.329 165 F C 2.012 177.757 175.800 -0.092 0.000 1.116 165 F CA -0.606 57.290 58.000 -0.174 0.000 1.155 165 F CB 0.390 39.284 39.000 -0.177 0.000 1.106 165 F HN 0.038 nan 8.300 nan 0.000 0.538 166 K N 0.423 120.827 120.400 0.006 0.000 2.063 166 K HA -0.199 4.120 4.320 -0.002 0.000 0.208 166 K C 1.077 177.652 176.600 -0.041 0.000 1.048 166 K CA 2.106 58.386 56.287 -0.010 0.000 0.928 166 K CB -0.380 32.085 32.500 -0.057 0.000 0.713 166 K HN 0.166 nan 8.250 nan 0.000 0.442 167 E N 1.282 121.438 120.200 -0.072 0.000 2.150 167 E HA -0.079 4.270 4.350 -0.002 0.000 0.193 167 E C 2.055 178.675 176.600 0.033 0.000 0.985 167 E CA 1.266 57.625 56.400 -0.068 0.000 0.814 167 E CB -0.246 29.393 29.700 -0.102 0.000 0.752 167 E HN 0.493 nan 8.360 nan 0.000 0.466 168 A N 0.452 123.333 122.820 0.102 0.000 1.969 168 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 168 A C 2.368 180.086 177.584 0.224 0.000 1.169 168 A CA 1.092 53.292 52.037 0.271 0.000 0.635 168 A CB -0.496 18.778 19.000 0.457 0.000 0.810 168 A HN 0.151 nan 8.150 nan 0.000 0.445 169 V N 0.083 120.089 119.914 0.153 0.000 2.270 169 V HA -0.310 3.809 4.120 -0.002 0.000 0.245 169 V C 2.844 178.972 176.094 0.058 0.000 1.043 169 V CA 1.943 64.308 62.300 0.108 0.000 1.014 169 V CB -1.255 30.612 31.823 0.074 0.000 0.645 169 V HN 0.890 nan 8.190 nan 0.000 0.447 170 C N 0.890 120.224 119.300 0.057 0.000 2.449 170 C HA 0.102 4.561 4.460 -0.002 0.000 0.283 170 C C 1.919 177.051 174.990 0.237 0.000 1.453 170 C CA 0.126 59.212 59.018 0.114 0.000 1.779 170 C CB -1.914 25.936 27.740 0.183 0.000 1.779 170 C HN 0.677 nan 8.230 nan 0.000 0.546 171 I N -2.022 118.665 120.570 0.195 0.000 3.874 171 I HA 0.357 4.526 4.170 -0.002 0.000 0.331 171 I C 0.092 176.279 176.117 0.118 0.000 1.489 171 I CA -0.264 61.157 61.300 0.201 0.000 1.187 171 I CB -0.955 37.151 38.000 0.176 0.000 1.150 171 I HN 0.112 nan 8.210 nan 0.000 0.412 172 N N 2.469 121.227 118.700 0.097 0.000 2.721 172 N HA -0.256 4.483 4.740 -0.002 0.000 0.249 172 N C -0.086 175.418 175.510 -0.010 0.000 1.072 172 N CA 0.930 53.995 53.050 0.025 0.000 0.710 172 N CB -1.987 36.468 38.487 -0.052 0.000 0.993 172 N HN 0.715 nan 8.380 nan 0.000 0.547 173 N N -0.703 118.052 118.700 0.091 0.000 2.279 173 N HA 0.055 4.794 4.740 -0.002 0.000 0.226 173 N C -0.248 175.384 175.510 0.203 0.000 1.126 173 N CA 0.153 53.270 53.050 0.113 0.000 0.846 173 N CB 0.725 39.307 38.487 0.159 0.000 1.050 173 N HN 0.123 nan 8.380 nan 0.000 0.502 174 T N 0.142 114.821 114.554 0.207 0.000 2.907 174 T HA 0.644 4.993 4.350 -0.002 0.000 0.290 174 T C -1.533 173.396 174.700 0.382 0.000 1.066 174 T CA -0.482 61.785 62.100 0.279 0.000 1.012 174 T CB 1.290 70.306 68.868 0.247 0.000 1.184 174 T HN 0.153 nan 8.240 nan 0.000 0.522 175 F N 0.072 120.129 119.950 0.178 0.000 2.678 175 F HA 0.696 5.222 4.527 -0.001 0.000 0.308 175 F C -2.099 173.779 175.800 0.130 0.000 1.118 175 F CA -1.443 56.649 58.000 0.153 0.000 0.959 175 F CB 0.726 39.735 39.000 0.015 0.000 1.305 175 F HN 0.336 nan 8.300 nan 0.000 0.443 176 L N 2.940 124.242 121.223 0.132 0.000 2.305 176 L HA 0.254 4.593 4.340 -0.002 0.000 0.281 176 L C -0.409 176.553 176.870 0.153 0.000 1.085 176 L CA -0.710 54.092 54.840 -0.064 0.000 0.813 176 L CB 0.581 42.508 42.059 -0.220 0.000 1.157 176 L HN 0.763 nan 8.230 nan 0.000 0.436 177 H N 4.180 123.241 119.070 -0.014 0.000 2.820 177 H HA 0.231 4.786 4.556 -0.002 0.000 0.248 177 H C 0.766 176.147 175.328 0.088 0.000 1.714 177 H CA -0.324 55.801 56.048 0.128 0.000 1.334 177 H CB 0.144 30.021 29.762 0.192 0.000 1.693 177 H HN 0.557 nan 8.280 nan 0.000 0.548 178 L N 2.070 123.279 121.223 -0.023 0.000 2.263 178 L HA -0.108 4.231 4.340 -0.002 0.000 0.216 178 L C 2.367 179.107 176.870 -0.217 0.000 1.111 178 L CA 1.368 56.148 54.840 -0.099 0.000 0.773 178 L CB -0.238 41.809 42.059 -0.020 0.000 0.906 178 L HN 0.678 nan 8.230 nan 0.000 0.439 179 G N -0.601 107.950 108.800 -0.415 0.000 2.511 179 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.217 179 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.217 179 G C 1.397 176.019 174.900 -0.462 0.000 1.133 179 G CA 0.511 45.389 45.100 -0.372 0.000 0.792 179 G HN 0.470 nan 8.290 nan 0.000 0.539 180 G N 0.436 108.700 108.800 -0.893 0.000 3.262 180 G HA2 0.298 4.257 3.960 -0.002 0.000 0.228 180 G HA3 0.298 4.257 3.960 -0.002 0.000 0.228 180 G C 0.589 175.460 174.900 -0.049 0.000 1.197 180 G CA -0.059 44.897 45.100 -0.241 0.000 0.819 180 G HN 0.287 nan 8.290 nan 0.000 0.531 181 S N 1.340 116.984 115.700 -0.093 0.000 2.563 181 S HA 0.347 4.816 4.470 -0.002 0.000 0.284 181 S C 0.106 174.709 174.600 0.006 0.000 1.331 181 S CA 0.116 58.304 58.200 -0.020 0.000 1.047 181 S CB 0.863 64.047 63.200 -0.027 0.000 0.859 181 S HN 0.719 nan 8.310 nan 0.000 0.514 182 D N 0.720 121.122 120.400 0.004 0.000 2.768 182 D HA 0.430 5.069 4.640 -0.002 0.000 0.327 182 D C -1.344 174.904 176.300 -0.086 0.000 1.302 182 D CA -0.831 53.154 54.000 -0.026 0.000 0.897 182 D CB 0.942 41.728 40.800 -0.024 0.000 1.420 182 D HN 0.378 nan 8.370 nan 0.000 0.494 183 K N -0.234 120.089 120.400 -0.129 0.000 2.435 183 K HA 0.670 4.989 4.320 -0.002 0.000 0.251 183 K C -0.625 175.865 176.600 -0.184 0.000 0.954 183 K CA -0.990 55.169 56.287 -0.213 0.000 0.820 183 K CB 2.843 35.197 32.500 -0.244 0.000 1.292 183 K HN 0.481 nan 8.250 nan 0.000 0.436 184 V N -2.231 117.560 119.914 -0.205 0.000 3.160 184 V HA 0.634 4.753 4.120 -0.002 0.000 0.310 184 V C -0.768 175.259 176.094 -0.112 0.000 1.181 184 V CA -0.732 61.484 62.300 -0.140 0.000 1.047 184 V CB 1.997 33.739 31.823 -0.135 0.000 1.068 184 V HN 0.697 nan 8.190 nan 0.000 0.441 185 T N 2.712 117.225 114.554 -0.068 0.000 2.792 185 T HA 0.731 5.080 4.350 -0.002 0.000 0.280 185 T C -0.486 174.196 174.700 -0.031 0.000 0.990 185 T CA -0.048 62.018 62.100 -0.056 0.000 0.960 185 T CB 0.870 69.705 68.868 -0.056 0.000 0.939 185 T HN 0.640 nan 8.240 nan 0.000 0.439 186 I N 2.500 123.054 120.570 -0.026 0.000 2.420 186 I HA 0.433 4.602 4.170 -0.002 0.000 0.282 186 I C 0.973 177.062 176.117 -0.047 0.000 1.019 186 I CA -0.574 60.713 61.300 -0.023 0.000 1.130 186 I CB 1.385 39.394 38.000 0.016 0.000 1.262 186 I HN 0.926 nan 8.210 nan 0.000 0.454 187 G N 4.245 113.006 108.800 -0.066 0.000 2.273 187 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.280 187 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.280 187 G C 1.005 175.865 174.900 -0.067 0.000 1.047 187 G CA 0.522 45.574 45.100 -0.080 0.000 0.869 187 G HN 1.395 nan 8.290 nan 0.000 0.502 188 G N -1.636 107.129 108.800 -0.059 0.000 2.304 188 G HA2 0.116 4.075 3.960 -0.002 0.000 0.252 188 G HA3 0.116 4.075 3.960 -0.002 0.000 0.252 188 G C 1.016 175.884 174.900 -0.052 0.000 1.014 188 G CA 1.372 46.440 45.100 -0.054 0.000 0.619 188 G HN 2.365 nan 8.290 nan 0.000 0.525 189 A N 0.395 123.185 122.820 -0.050 0.000 2.340 189 A HA 0.611 4.930 4.320 -0.002 0.000 0.268 189 A C 0.514 178.062 177.584 -0.060 0.000 1.100 189 A CA 0.583 52.591 52.037 -0.048 0.000 0.803 189 A CB 0.531 19.509 19.000 -0.036 0.000 1.043 189 A HN 0.700 nan 8.150 nan 0.000 0.488 190 E N 1.353 121.508 120.200 -0.076 0.000 2.313 190 E HA 0.470 4.819 4.350 -0.002 0.000 0.276 190 E C -1.446 175.068 176.600 -0.143 0.000 1.031 190 E CA -0.225 56.099 56.400 -0.127 0.000 0.857 190 E CB 0.842 30.452 29.700 -0.150 0.000 1.040 190 E HN 0.323 nan 8.360 nan 0.000 0.408 191 V N 4.534 124.330 119.914 -0.196 0.000 2.623 191 V HA 0.223 4.342 4.120 -0.002 0.000 0.304 191 V C -0.814 175.091 176.094 -0.314 0.000 1.054 191 V CA -0.806 61.387 62.300 -0.179 0.000 0.882 191 V CB 1.634 33.415 31.823 -0.071 0.000 1.002 191 V HN 0.766 nan 8.190 nan 0.000 0.424 192 H N 3.568 122.537 119.070 -0.169 0.000 2.546 192 H HA 0.806 5.361 4.556 -0.002 0.000 0.365 192 H C 0.373 175.510 175.328 -0.317 0.000 1.220 192 H CA -0.402 55.530 56.048 -0.193 0.000 1.386 192 H CB 0.857 30.545 29.762 -0.123 0.000 1.510 192 H HN 0.689 nan 8.280 nan 0.000 0.591 193 R N 1.364 121.783 120.500 -0.135 0.000 2.572 193 R HA 0.359 4.698 4.340 -0.002 0.000 0.273 193 R C -2.081 174.216 176.300 -0.005 0.000 1.168 193 R CA -0.557 55.411 56.100 -0.220 0.000 1.021 193 R CB 0.396 30.289 30.300 -0.678 0.000 1.249 193 R HN 0.449 nan 8.270 nan 0.000 0.423 194 I N 4.325 124.926 120.570 0.052 0.000 2.312 194 I HA 0.365 4.534 4.170 -0.002 0.000 0.290 194 I C -1.934 174.229 176.117 0.077 0.000 1.008 194 I CA -2.595 58.726 61.300 0.036 0.000 1.226 194 I CB 1.898 39.862 38.000 -0.060 0.000 1.371 194 I HN 0.421 nan 8.210 nan 0.000 0.468 195 P HA 0.072 nan 4.420 nan 0.000 0.268 195 P C -0.617 176.498 177.300 -0.309 0.000 1.205 195 P CA -0.024 62.933 63.100 -0.238 0.000 0.771 195 P CB 1.370 32.985 31.700 -0.142 0.000 0.858 196 V N 4.711 124.316 119.914 -0.514 0.000 2.483 196 V HA 0.381 4.500 4.120 -0.002 0.000 0.295 196 V C -0.283 175.397 176.094 -0.689 0.000 1.035 196 V CA -0.248 61.797 62.300 -0.425 0.000 0.896 196 V CB 0.751 32.464 31.823 -0.183 0.000 0.986 196 V HN 0.476 nan 8.190 nan 0.000 0.447 197 Y N 3.887 123.854 120.300 -0.555 0.000 2.634 197 Y HA 0.571 5.120 4.550 -0.002 0.000 0.340 197 Y C -2.538 173.203 175.900 -0.265 0.000 1.058 197 Y CA -2.661 55.128 58.100 -0.518 0.000 1.081 197 Y CB 2.480 40.520 38.460 -0.700 0.000 1.295 197 Y HN 0.417 nan 8.280 nan 0.000 0.487 198 P HA 0.129 nan 4.420 nan 0.000 0.286 198 P C 0.166 177.771 177.300 0.509 0.000 1.269 198 P CA -0.252 63.049 63.100 0.335 0.000 0.787 198 P CB 0.948 32.843 31.700 0.324 0.000 0.920 199 L N 3.011 124.489 121.223 0.425 0.000 2.127 199 L HA -0.193 4.146 4.340 -0.002 0.000 0.211 199 L C 2.001 179.063 176.870 0.321 0.000 1.089 199 L CA 1.955 56.977 54.840 0.304 0.000 0.757 199 L CB -1.411 40.710 42.059 0.103 0.000 0.899 199 L HN 0.379 nan 8.230 nan 0.000 0.434 200 Q N -0.980 118.956 119.800 0.227 0.000 2.325 200 Q HA -0.226 4.113 4.340 -0.002 0.000 0.211 200 Q C 2.270 178.401 176.000 0.218 0.000 0.988 200 Q CA 1.017 56.943 55.803 0.204 0.000 0.887 200 Q CB -0.502 28.318 28.738 0.136 0.000 0.915 200 Q HN 0.461 nan 8.270 nan 0.000 0.440 201 L N -0.958 120.413 121.223 0.248 0.000 2.043 201 L HA -0.205 4.134 4.340 -0.002 0.000 0.212 201 L C 1.075 177.940 176.870 -0.009 0.000 1.075 201 L CA 1.295 56.180 54.840 0.075 0.000 0.752 201 L CB -0.102 41.980 42.059 0.039 0.000 0.891 201 L HN 0.276 nan 8.230 nan 0.000 0.432 202 F N -0.733 119.309 119.950 0.152 0.000 2.811 202 F HA 0.063 4.589 4.527 -0.002 0.000 0.301 202 F C 0.810 176.646 175.800 0.061 0.000 1.151 202 F CA 0.363 58.529 58.000 0.276 0.000 1.412 202 F CB -0.166 39.006 39.000 0.287 0.000 1.113 202 F HN 0.027 nan 8.300 nan 0.000 0.579 203 M N 0.873 120.535 119.600 0.103 0.000 2.065 203 M HA 0.306 4.785 4.480 -0.002 0.000 0.308 203 M C -2.594 173.691 176.300 -0.025 0.000 0.939 203 M CA -1.861 53.380 55.300 -0.097 0.000 0.890 203 M CB 1.118 33.562 32.600 -0.259 0.000 1.383 203 M HN -0.306 nan 8.290 nan 0.000 0.381 204 P HA -0.052 nan 4.420 nan 0.000 0.264 204 P C -0.521 176.800 177.300 0.035 0.000 1.183 204 P CA 0.760 63.846 63.100 -0.023 0.000 0.763 204 P CB 0.324 31.977 31.700 -0.078 0.000 0.807 205 D N 0.093 120.535 120.400 0.070 0.000 2.723 205 D HA -0.242 4.397 4.640 -0.002 0.000 0.236 205 D C -0.589 175.810 176.300 0.165 0.000 1.138 205 D CA 1.023 55.076 54.000 0.088 0.000 0.676 205 D CB -1.674 39.157 40.800 0.051 0.000 1.069 205 D HN 0.288 nan 8.370 nan 0.000 0.430 206 F N 0.525 120.472 119.950 -0.005 0.000 2.445 206 F HA 0.355 4.881 4.527 -0.002 0.000 0.348 206 F C 0.737 176.547 175.800 0.016 0.000 1.125 206 F CA -0.604 57.392 58.000 -0.007 0.000 0.983 206 F CB 1.598 40.584 39.000 -0.023 0.000 1.198 206 F HN -0.230 nan 8.300 nan 0.000 0.436 207 S N 4.153 119.691 115.700 -0.269 0.000 2.539 207 S HA 0.258 4.727 4.470 -0.002 0.000 0.221 207 S C 0.443 174.891 174.600 -0.254 0.000 0.987 207 S CA -0.425 57.704 58.200 -0.119 0.000 0.929 207 S CB -0.108 63.091 63.200 -0.003 0.000 0.832 207 S HN 0.387 nan 8.310 nan 0.000 0.492 208 R N 1.215 121.253 120.500 -0.771 0.000 2.543 208 R HA 0.471 4.810 4.340 -0.002 0.000 0.268 208 R C -0.048 175.981 176.300 -0.452 0.000 1.067 208 R CA -0.664 55.042 56.100 -0.657 0.000 1.142 208 R CB -0.106 29.683 30.300 -0.851 0.000 1.110 208 R HN -0.031 nan 8.270 nan 0.000 0.549 209 V N 2.455 122.207 119.914 -0.271 0.000 2.811 209 V HA 0.134 4.253 4.120 -0.002 0.000 0.302 209 V C 0.902 176.968 176.094 -0.048 0.000 1.063 209 V CA -0.072 62.139 62.300 -0.148 0.000 1.088 209 V CB 0.681 32.483 31.823 -0.035 0.000 0.982 209 V HN 0.464 nan 8.190 nan 0.000 0.485 210 I N 3.922 124.489 120.570 -0.006 0.000 2.315 210 I HA 0.533 4.702 4.170 -0.002 0.000 0.291 210 I C 0.462 176.569 176.117 -0.017 0.000 1.006 210 I CA -0.063 61.261 61.300 0.040 0.000 1.265 210 I CB 1.349 39.362 38.000 0.022 0.000 1.387 210 I HN 0.692 nan 8.210 nan 0.000 0.475 211 A N 5.205 127.998 122.820 -0.045 0.000 2.312 211 A HA 0.593 4.912 4.320 -0.002 0.000 0.328 211 A C 0.003 177.536 177.584 -0.084 0.000 1.158 211 A CA -0.316 51.695 52.037 -0.044 0.000 0.821 211 A CB 0.532 19.509 19.000 -0.039 0.000 1.170 211 A HN 0.747 nan 8.150 nan 0.000 0.490 212 E N 0.378 120.557 120.200 -0.036 0.000 2.252 212 E HA -0.136 4.213 4.350 -0.002 0.000 0.199 212 E C -2.025 174.537 176.600 -0.063 0.000 1.352 212 E CA 0.883 57.273 56.400 -0.016 0.000 0.682 212 E CB -1.664 27.995 29.700 -0.067 0.000 1.142 212 E HN 0.643 nan 8.360 nan 0.000 0.367 213 P HA -0.040 nan 4.420 nan 0.000 0.237 213 P C 1.006 178.185 177.300 -0.202 0.000 1.178 213 P CA 0.575 63.570 63.100 -0.174 0.000 0.766 213 P CB -0.055 31.473 31.700 -0.286 0.000 0.876 214 F N -0.097 119.862 119.950 0.015 0.000 2.776 214 F HA 0.158 4.684 4.527 -0.002 0.000 0.300 214 F C 1.157 176.941 175.800 -0.026 0.000 1.116 214 F CA -0.263 57.722 58.000 -0.025 0.000 1.375 214 F CB -0.766 38.162 39.000 -0.119 0.000 1.109 214 F HN -0.108 nan 8.300 nan 0.000 0.585 215 N N 1.345 120.085 118.700 0.066 0.000 2.421 215 N HA 0.177 4.916 4.740 -0.002 0.000 0.260 215 N C 1.025 176.416 175.510 -0.198 0.000 1.173 215 N CA 0.270 53.294 53.050 -0.043 0.000 0.960 215 N CB 0.783 39.215 38.487 -0.092 0.000 1.273 215 N HN 0.155 nan 8.380 nan 0.000 0.497 216 A N 3.638 126.390 122.820 -0.113 0.000 2.225 216 A HA -0.079 4.241 4.320 -0.002 0.000 0.215 216 A C 1.011 178.446 177.584 -0.249 0.000 1.164 216 A CA 0.795 52.710 52.037 -0.203 0.000 0.710 216 A CB -0.160 18.853 19.000 0.021 0.000 0.780 216 A HN 0.743 nan 8.150 nan 0.000 0.473 217 N N -0.298 118.300 118.700 -0.171 0.000 2.273 217 N HA 0.041 4.780 4.740 -0.002 0.000 0.231 217 N C -0.307 175.132 175.510 -0.117 0.000 1.134 217 N CA -0.124 52.849 53.050 -0.127 0.000 0.856 217 N CB -0.055 38.392 38.487 -0.067 0.000 1.068 217 N HN 0.570 nan 8.380 nan 0.000 0.510 218 H N 1.653 120.532 119.070 -0.318 0.000 2.886 218 H HA 0.078 4.633 4.556 -0.002 0.000 0.329 218 H C 1.427 176.589 175.328 -0.277 0.000 1.044 218 H CA 0.417 56.286 56.048 -0.299 0.000 1.456 218 H CB 0.702 30.229 29.762 -0.392 0.000 1.464 218 H HN -0.014 nan 8.280 nan 0.000 0.573 219 R N 2.409 122.609 120.500 -0.500 0.000 2.159 219 R HA -0.126 4.214 4.340 -0.002 0.000 0.237 219 R C 1.464 177.420 176.300 -0.573 0.000 1.131 219 R CA 1.637 57.465 56.100 -0.454 0.000 0.982 219 R CB 0.067 30.191 30.300 -0.294 0.000 0.868 219 R HN 0.560 nan 8.270 nan 0.000 0.453 220 S N 0.112 115.229 115.700 -0.971 0.000 2.489 220 S HA 0.087 4.556 4.470 -0.002 0.000 0.228 220 S C 0.677 174.952 174.600 -0.542 0.000 0.995 220 S CA 0.123 57.904 58.200 -0.699 0.000 0.934 220 S CB -0.027 62.633 63.200 -0.901 0.000 0.771 220 S HN 0.224 nan 8.310 nan 0.000 0.522 221 I N 2.370 122.630 120.570 -0.517 0.000 2.710 221 I HA 0.052 4.221 4.170 -0.002 0.000 0.286 221 I C 1.268 177.108 176.117 -0.463 0.000 1.181 221 I CA -0.391 60.682 61.300 -0.379 0.000 1.430 221 I CB 0.183 37.991 38.000 -0.319 0.000 1.367 221 I HN 0.145 nan 8.210 nan 0.000 0.577 222 G N 4.431 112.767 108.800 -0.773 0.000 2.432 222 G HA2 0.099 4.058 3.960 -0.002 0.000 0.239 222 G HA3 0.099 4.058 3.960 -0.002 0.000 0.239 222 G C -0.172 174.233 174.900 -0.825 0.000 1.291 222 G CA -0.304 43.994 45.100 -1.337 0.000 0.863 222 G HN 0.652 nan 8.290 nan 0.000 0.560 223 E N 0.697 120.661 120.200 -0.394 0.000 2.366 223 E HA 0.248 4.597 4.350 -0.002 0.000 0.266 223 E C 0.658 177.381 176.600 0.205 0.000 1.051 223 E CA -0.288 56.072 56.400 -0.068 0.000 0.884 223 E CB 0.464 30.137 29.700 -0.046 0.000 1.006 223 E HN 0.390 nan 8.360 nan 0.000 0.417 224 K N 1.520 122.037 120.400 0.194 0.000 3.472 224 K HA -0.189 4.130 4.320 -0.002 0.000 0.315 224 K C -0.503 176.307 176.600 0.349 0.000 1.320 224 K CA 0.716 57.138 56.287 0.225 0.000 0.962 224 K CB -2.221 30.384 32.500 0.175 0.000 1.251 224 K HN 0.394 nan 8.250 nan 0.000 0.443 225 F N 0.964 120.965 119.950 0.086 0.000 2.382 225 F HA 0.225 4.751 4.527 -0.002 0.000 0.331 225 F C 1.333 177.241 175.800 0.179 0.000 1.121 225 F CA -0.347 57.756 58.000 0.173 0.000 1.183 225 F CB 0.868 40.016 39.000 0.247 0.000 1.207 225 F HN -0.258 nan 8.300 nan 0.000 0.555 226 T N 3.374 118.147 114.554 0.365 0.000 3.145 226 T HA 0.106 4.455 4.350 -0.002 0.000 0.362 226 T C -0.674 174.011 174.700 -0.026 0.000 1.340 226 T CA -0.284 61.920 62.100 0.172 0.000 1.069 226 T CB -0.865 68.067 68.868 0.106 0.000 1.129 226 T HN 0.293 nan 8.240 nan 0.000 0.585 227 Y N 6.492 126.657 120.300 -0.225 0.000 2.805 227 Y HA 0.112 4.661 4.550 -0.002 0.000 0.331 227 Y C -1.596 173.884 175.900 -0.700 0.000 1.241 227 Y CA -1.641 56.093 58.100 -0.611 0.000 1.546 227 Y CB 0.430 38.706 38.460 -0.307 0.000 1.248 227 Y HN 0.385 nan 8.280 nan 0.000 0.559 228 P HA 0.130 nan 4.420 nan 0.000 0.279 228 P C -1.356 175.487 177.300 -0.761 0.000 1.282 228 P CA -0.589 61.869 63.100 -1.071 0.000 0.788 228 P CB 1.209 31.951 31.700 -1.596 0.000 1.139 229 L N 1.501 122.511 121.223 -0.355 0.000 2.257 229 L HA 0.455 4.794 4.340 -0.002 0.000 0.290 229 L C -2.524 174.319 176.870 -0.045 0.000 1.044 229 L CA -2.376 52.390 54.840 -0.124 0.000 0.810 229 L CB 0.319 42.411 42.059 0.055 0.000 1.193 229 L HN 0.160 nan 8.230 nan 0.000 0.425 230 P HA -0.081 nan 4.420 nan 0.000 0.266 230 P C -1.126 176.339 177.300 0.276 0.000 1.193 230 P CA 0.192 63.244 63.100 -0.081 0.000 0.770 230 P CB 0.151 31.464 31.700 -0.645 0.000 0.836 231 F N 5.431 125.477 119.950 0.160 0.000 2.462 231 F HA 0.352 4.878 4.527 -0.002 0.000 0.354 231 F C -1.106 174.852 175.800 0.263 0.000 1.192 231 F CA -1.541 56.574 58.000 0.193 0.000 1.173 231 F CB -1.005 38.075 39.000 0.133 0.000 1.402 231 F HN 0.042 nan 8.300 nan 0.000 0.595 232 F N 7.712 127.725 119.950 0.105 0.000 2.332 232 F HA 0.428 4.954 4.527 -0.002 0.000 0.368 232 F C -1.117 174.646 175.800 -0.063 0.000 1.110 232 F CA -1.142 56.863 58.000 0.009 0.000 1.087 232 F CB 0.295 39.519 39.000 0.374 0.000 1.235 232 F HN 0.445 nan 8.300 nan 0.000 0.470 233 N N 5.927 124.349 118.700 -0.463 0.000 2.354 233 N HA 0.311 5.050 4.740 -0.002 0.000 0.287 233 N C 0.588 175.928 175.510 -0.284 0.000 1.016 233 N CA -0.356 52.417 53.050 -0.462 0.000 0.871 233 N CB 1.858 40.110 38.487 -0.393 0.000 1.299 233 N HN 0.786 nan 8.380 nan 0.000 0.482 234 R N 2.825 123.186 120.500 -0.232 0.000 2.061 234 R HA 0.006 4.345 4.340 -0.002 0.000 0.230 234 R C -0.877 175.466 176.300 0.071 0.000 1.140 234 R CA 1.576 57.713 56.100 0.062 0.000 0.940 234 R CB -0.874 29.486 30.300 0.099 0.000 0.839 234 R HN 0.493 nan 8.270 nan 0.000 0.429 235 P HA -0.200 nan 4.420 nan 0.000 0.216 235 P C 1.103 178.475 177.300 0.120 0.000 1.150 235 P CA 1.035 64.231 63.100 0.160 0.000 0.843 235 P CB 0.051 31.911 31.700 0.268 0.000 0.787 236 L N -0.269 120.974 121.223 0.034 0.000 1.988 236 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 236 L C 1.780 178.545 176.870 -0.176 0.000 1.071 236 L CA 2.069 56.826 54.840 -0.138 0.000 0.744 236 L CB -1.653 40.035 42.059 -0.617 0.000 0.893 236 L HN -0.156 nan 8.230 nan 0.000 0.433 237 N N 0.065 118.619 118.700 -0.244 0.000 2.094 237 N HA -0.257 4.482 4.740 -0.002 0.000 0.191 237 N C 1.982 177.136 175.510 -0.594 0.000 1.023 237 N CA 1.743 54.580 53.050 -0.355 0.000 0.857 237 N CB -0.447 37.830 38.487 -0.351 0.000 1.013 237 N HN 0.409 nan 8.380 nan 0.000 0.426 238 R N 0.385 120.529 120.500 -0.595 0.000 2.091 238 R HA -0.085 4.254 4.340 -0.002 0.000 0.238 238 R C 2.003 178.245 176.300 -0.096 0.000 1.136 238 R CA 1.083 56.935 56.100 -0.413 0.000 0.959 238 R CB -0.478 29.802 30.300 -0.034 0.000 0.856 238 R HN 0.196 nan 8.270 nan 0.000 0.437 239 L N 0.803 122.009 121.223 -0.029 0.000 2.141 239 L HA -0.048 4.291 4.340 -0.002 0.000 0.209 239 L C 1.903 178.768 176.870 -0.008 0.000 1.094 239 L CA 1.535 56.401 54.840 0.044 0.000 0.763 239 L CB -0.251 41.878 42.059 0.118 0.000 0.908 239 L HN 0.285 nan 8.230 nan 0.000 0.437 240 L N -2.051 119.124 121.223 -0.081 0.000 2.027 240 L HA -0.181 4.158 4.340 -0.002 0.000 0.206 240 L C 2.424 179.273 176.870 -0.036 0.000 1.074 240 L CA 1.084 55.826 54.840 -0.163 0.000 0.745 240 L CB -0.628 41.324 42.059 -0.177 0.000 0.898 240 L HN 0.172 nan 8.230 nan 0.000 0.433 241 F N 0.916 120.759 119.950 -0.179 0.000 2.120 241 F HA -0.262 4.264 4.527 -0.002 0.000 0.300 241 F C 2.537 178.326 175.800 -0.017 0.000 1.095 241 F CA 1.734 59.682 58.000 -0.087 0.000 1.249 241 F CB -0.304 38.644 39.000 -0.088 0.000 0.995 241 F HN 0.142 nan 8.300 nan 0.000 0.480 242 E N -0.699 119.612 120.200 0.186 0.000 2.033 242 E HA -0.075 4.274 4.350 -0.002 0.000 0.189 242 E C 2.270 178.916 176.600 0.076 0.000 0.979 242 E CA 1.031 57.518 56.400 0.145 0.000 0.802 242 E CB -0.410 29.376 29.700 0.144 0.000 0.763 242 E HN 0.325 nan 8.360 nan 0.000 0.449 243 A N 0.613 123.463 122.820 0.050 0.000 2.132 243 A HA 0.056 4.375 4.320 -0.002 0.000 0.213 243 A C 2.109 179.695 177.584 0.003 0.000 1.154 243 A CA 0.507 52.574 52.037 0.049 0.000 0.753 243 A CB 0.308 19.386 19.000 0.130 0.000 0.826 243 A HN 0.099 nan 8.150 nan 0.000 0.469 244 V N -1.755 118.113 119.914 -0.075 0.000 3.090 244 V HA -0.010 4.109 4.120 -0.002 0.000 0.237 244 V C 2.220 178.249 176.094 -0.108 0.000 1.209 244 V CA 1.103 63.338 62.300 -0.108 0.000 1.209 244 V CB 0.366 32.054 31.823 -0.225 0.000 0.971 244 V HN 0.225 nan 8.190 nan 0.000 0.477 245 V N 0.979 120.807 119.914 -0.142 0.000 2.535 245 V HA 0.041 4.160 4.120 -0.002 0.000 0.246 245 V C 2.609 178.657 176.094 -0.076 0.000 1.045 245 V CA 1.862 64.062 62.300 -0.168 0.000 1.058 245 V CB -0.998 30.603 31.823 -0.370 0.000 0.689 245 V HN 0.552 nan 8.190 nan 0.000 0.461 246 G N 1.282 110.069 108.800 -0.022 0.000 2.514 246 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.217 246 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.217 246 G C -0.179 174.705 174.900 -0.027 0.000 1.198 246 G CA 1.381 46.501 45.100 0.033 0.000 0.780 246 G HN 0.479 nan 8.290 nan 0.000 0.565 247 P HA -0.110 nan 4.420 nan 0.000 0.216 247 P C 2.162 179.425 177.300 -0.062 0.000 1.153 247 P CA 2.237 65.280 63.100 -0.094 0.000 0.858 247 P CB -0.157 31.492 31.700 -0.084 0.000 0.789 248 A N -0.295 122.503 122.820 -0.037 0.000 1.897 248 A HA -0.040 4.279 4.320 -0.002 0.000 0.215 248 A C 2.326 179.925 177.584 0.025 0.000 1.181 248 A CA 1.873 53.903 52.037 -0.013 0.000 0.620 248 A CB -1.605 17.382 19.000 -0.021 0.000 0.821 248 A HN 0.171 nan 8.150 nan 0.000 0.443 249 A N -0.363 122.486 122.820 0.047 0.000 1.892 249 A HA -0.100 4.219 4.320 -0.002 0.000 0.218 249 A C 2.260 179.989 177.584 0.240 0.000 1.188 249 A CA 2.164 54.291 52.037 0.150 0.000 0.631 249 A CB -1.067 18.058 19.000 0.209 0.000 0.822 249 A HN 0.421 nan 8.150 nan 0.000 0.447 250 V N -0.342 119.640 119.914 0.113 0.000 2.270 250 V HA -0.201 3.918 4.120 -0.002 0.000 0.245 250 V C 3.081 179.220 176.094 0.075 0.000 1.043 250 V CA 1.901 64.241 62.300 0.067 0.000 1.014 250 V CB -1.397 30.293 31.823 -0.222 0.000 0.645 250 V HN 0.642 nan 8.190 nan 0.000 0.447 251 A N -0.033 122.793 122.820 0.010 0.000 1.892 251 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 251 A C 1.901 179.511 177.584 0.044 0.000 1.188 251 A CA 1.861 53.903 52.037 0.008 0.000 0.631 251 A CB -0.590 18.400 19.000 -0.016 0.000 0.822 251 A HN 0.544 nan 8.150 nan 0.000 0.447 252 L N 0.148 121.406 121.223 0.058 0.000 2.783 252 L HA 0.120 4.459 4.340 -0.002 0.000 0.236 252 L C 0.539 177.442 176.870 0.055 0.000 1.225 252 L CA -0.058 54.815 54.840 0.055 0.000 1.026 252 L CB -0.394 41.692 42.059 0.045 0.000 1.314 252 L HN 0.607 nan 8.230 nan 0.000 0.489 253 R N 0.209 120.768 120.500 0.099 0.000 2.828 253 R HA -0.218 4.121 4.340 -0.002 0.000 0.233 253 R C -0.275 176.023 176.300 -0.003 0.000 0.821 253 R CA 0.732 56.895 56.100 0.105 0.000 0.563 253 R CB -2.225 28.110 30.300 0.058 0.000 1.117 253 R HN 0.280 nan 8.270 nan 0.000 0.508 254 S N 0.550 116.292 115.700 0.070 0.000 2.532 254 S HA 0.359 4.828 4.470 -0.002 0.000 0.256 254 S C 1.008 175.616 174.600 0.013 0.000 1.298 254 S CA -0.908 57.279 58.200 -0.022 0.000 1.166 254 S CB 0.990 64.194 63.200 0.005 0.000 1.022 254 S HN 0.574 nan 8.310 nan 0.000 0.480 255 R N 2.174 122.517 120.500 -0.263 0.000 2.200 255 R HA -0.003 4.336 4.340 -0.002 0.000 0.234 255 R C 0.775 177.041 176.300 -0.057 0.000 1.127 255 R CA 0.741 56.555 56.100 -0.476 0.000 0.989 255 R CB -0.056 29.825 30.300 -0.698 0.000 0.869 255 R HN 0.491 nan 8.270 nan 0.000 0.459 256 N N 0.802 119.494 118.700 -0.014 0.000 2.555 256 N HA -0.014 4.725 4.740 -0.002 0.000 0.244 256 N C 0.805 176.379 175.510 0.106 0.000 1.114 256 N CA 0.067 53.151 53.050 0.056 0.000 0.963 256 N CB 0.895 39.398 38.487 0.028 0.000 1.276 256 N HN -0.160 nan 8.380 nan 0.000 0.510 257 V N 2.899 122.922 119.914 0.182 0.000 2.287 257 V HA -0.265 3.854 4.120 -0.002 0.000 0.248 257 V C 1.979 178.094 176.094 0.036 0.000 1.053 257 V CA 2.135 64.528 62.300 0.154 0.000 1.027 257 V CB -0.750 31.223 31.823 0.250 0.000 0.646 257 V HN 0.618 nan 8.190 nan 0.000 0.447 258 D N 0.412 120.928 120.400 0.194 0.000 2.133 258 D HA -0.216 4.423 4.640 -0.002 0.000 0.195 258 D C 2.079 178.412 176.300 0.055 0.000 0.997 258 D CA 1.694 55.813 54.000 0.198 0.000 0.840 258 D CB -0.199 40.821 40.800 0.366 0.000 0.947 258 D HN 0.400 nan 8.370 nan 0.000 0.452 259 A N -0.257 122.601 122.820 0.064 0.000 1.908 259 A HA -0.146 4.173 4.320 -0.002 0.000 0.218 259 A C 2.508 180.098 177.584 0.009 0.000 1.181 259 A CA 1.737 53.796 52.037 0.038 0.000 0.627 259 A CB -0.863 18.158 19.000 0.035 0.000 0.818 259 A HN 0.242 nan 8.150 nan 0.000 0.445 260 V N -0.198 119.710 119.914 -0.010 0.000 2.295 260 V HA -0.247 3.872 4.120 -0.002 0.000 0.246 260 V C 3.062 179.114 176.094 -0.069 0.000 1.049 260 V CA 1.919 64.202 62.300 -0.028 0.000 1.024 260 V CB -1.317 30.493 31.823 -0.022 0.000 0.648 260 V HN 0.625 nan 8.190 nan 0.000 0.447 261 A N 0.409 123.140 122.820 -0.149 0.000 1.908 261 A HA -0.245 4.074 4.320 -0.002 0.000 0.218 261 A C 2.350 179.895 177.584 -0.065 0.000 1.181 261 A CA 1.947 53.871 52.037 -0.188 0.000 0.627 261 A CB -0.499 18.264 19.000 -0.395 0.000 0.818 261 A HN 0.566 nan 8.150 nan 0.000 0.445 262 R N -0.507 119.984 120.500 -0.015 0.000 2.148 262 R HA 0.030 4.369 4.340 -0.002 0.000 0.227 262 R C 2.331 178.663 176.300 0.054 0.000 1.103 262 R CA 0.968 57.090 56.100 0.036 0.000 0.983 262 R CB -0.426 29.898 30.300 0.040 0.000 0.874 262 R HN 0.503 nan 8.270 nan 0.000 0.451 263 A N 1.624 124.467 122.820 0.038 0.000 1.929 263 A HA -0.005 4.314 4.320 -0.002 0.000 0.216 263 A C 2.398 180.005 177.584 0.038 0.000 1.176 263 A CA 1.404 53.477 52.037 0.059 0.000 0.628 263 A CB -0.420 18.603 19.000 0.039 0.000 0.816 263 A HN 0.348 nan 8.150 nan 0.000 0.444 264 A N -0.072 122.744 122.820 -0.006 0.000 1.898 264 A HA 0.215 4.534 4.320 -0.002 0.000 0.216 264 A C 2.478 180.025 177.584 -0.063 0.000 1.181 264 A CA 1.870 53.876 52.037 -0.051 0.000 0.620 264 A CB -0.946 18.003 19.000 -0.085 0.000 0.819 264 A HN 0.991 nan 8.150 nan 0.000 0.442 265 A N -1.066 121.757 122.820 0.004 0.000 1.933 265 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 265 A C 2.016 179.724 177.584 0.206 0.000 1.175 265 A CA 1.830 53.916 52.037 0.082 0.000 0.628 265 A CB -1.015 18.129 19.000 0.239 0.000 0.814 265 A HN 0.819 nan 8.150 nan 0.000 0.444 266 H N -0.428 118.667 119.070 0.042 0.000 2.319 266 H HA -0.084 4.471 4.556 -0.002 0.000 0.299 266 H C 1.862 177.162 175.328 -0.048 0.000 1.092 266 H CA 1.514 57.548 56.048 -0.022 0.000 1.302 266 H CB -0.099 29.563 29.762 -0.167 0.000 1.373 266 H HN 0.419 nan 8.280 nan 0.000 0.497 267 L N 0.063 121.286 121.223 0.001 0.000 2.201 267 L HA -0.098 4.241 4.340 -0.002 0.000 0.212 267 L C 2.872 179.684 176.870 -0.096 0.000 1.105 267 L CA 0.714 55.516 54.840 -0.064 0.000 0.775 267 L CB -0.288 41.731 42.059 -0.067 0.000 0.913 267 L HN 0.387 nan 8.230 nan 0.000 0.440 268 A N -0.609 122.086 122.820 -0.208 0.000 1.930 268 A HA -0.078 4.241 4.320 -0.002 0.000 0.215 268 A C 1.875 179.269 177.584 -0.318 0.000 1.176 268 A CA 0.999 52.755 52.037 -0.468 0.000 0.632 268 A CB -0.430 17.986 19.000 -0.973 0.000 0.819 268 A HN 0.294 nan 8.150 nan 0.000 0.445 269 F N -0.162 119.826 119.950 0.064 0.000 2.473 269 F HA 0.129 4.655 4.527 -0.001 0.000 0.294 269 F C 0.565 176.421 175.800 0.093 0.000 1.103 269 F CA 0.626 58.709 58.000 0.138 0.000 1.442 269 F CB 0.240 39.314 39.000 0.123 0.000 1.097 269 F HN 0.171 nan 8.300 nan 0.000 0.547 270 D N 0.290 120.832 120.400 0.237 0.000 2.432 270 D HA 0.052 4.691 4.640 -0.002 0.000 0.265 270 D C 1.268 177.639 176.300 0.117 0.000 1.160 270 D CA -0.100 54.004 54.000 0.174 0.000 0.911 270 D CB 0.338 41.264 40.800 0.209 0.000 1.052 270 D HN 0.175 nan 8.370 nan 0.000 0.508 271 E N 2.523 122.774 120.200 0.086 0.000 2.219 271 E HA -0.243 4.106 4.350 -0.002 0.000 0.198 271 E C 0.279 176.905 176.600 0.042 0.000 0.998 271 E CA 0.880 57.310 56.400 0.050 0.000 0.818 271 E CB -0.209 29.520 29.700 0.047 0.000 0.741 271 E HN 0.385 nan 8.360 nan 0.000 0.477 272 N N 0.843 119.576 118.700 0.056 0.000 2.449 272 N HA -0.053 4.686 4.740 -0.002 0.000 0.191 272 N C -0.265 175.261 175.510 0.027 0.000 1.161 272 N CA 0.161 53.230 53.050 0.031 0.000 0.863 272 N CB -0.306 38.200 38.487 0.032 0.000 0.980 272 N HN 0.320 nan 8.380 nan 0.000 0.458 273 H N 1.296 120.333 119.070 -0.055 0.000 2.742 273 H HA 0.209 4.764 4.556 -0.002 0.000 0.302 273 H C -0.103 175.145 175.328 -0.132 0.000 1.069 273 H CA 0.225 56.205 56.048 -0.112 0.000 1.446 273 H CB 0.459 30.071 29.762 -0.250 0.000 1.462 273 H HN 0.045 nan 8.280 nan 0.000 0.499 274 E N 2.760 122.514 120.200 -0.743 0.000 2.412 274 E HA 0.575 4.924 4.350 -0.002 0.000 0.255 274 E C -0.012 176.139 176.600 -0.748 0.000 0.933 274 E CA -0.843 55.217 56.400 -0.566 0.000 0.823 274 E CB 1.760 31.284 29.700 -0.293 0.000 1.352 274 E HN 0.917 nan 8.360 nan 0.000 0.406 275 G N 0.034 108.606 108.800 -0.379 0.000 2.796 275 G HA2 0.003 3.962 3.960 -0.002 0.000 0.571 275 G HA3 0.003 3.962 3.960 -0.002 0.000 0.571 275 G C -0.183 174.653 174.900 -0.107 0.000 1.370 275 G CA -0.627 44.335 45.100 -0.231 0.000 0.856 275 G HN 0.744 nan 8.290 nan 0.000 0.538 276 A N -0.426 122.409 122.820 0.026 0.000 2.586 276 A HA 0.676 4.995 4.320 -0.002 0.000 0.231 276 A C 1.397 179.101 177.584 0.201 0.000 1.055 276 A CA 2.140 54.237 52.037 0.101 0.000 0.756 276 A CB 0.295 19.359 19.000 0.106 0.000 0.988 276 A HN 2.640 nan 8.150 nan 0.000 0.509 277 A N 1.825 124.731 122.820 0.144 0.000 1.780 277 A HA 0.450 4.769 4.320 -0.002 0.000 0.208 277 A C 0.466 178.105 177.584 0.092 0.000 1.761 277 A CA -0.037 52.082 52.037 0.136 0.000 1.183 277 A CB -0.192 18.862 19.000 0.089 0.000 1.162 277 A HN 0.615 nan 8.150 nan 0.000 0.472 278 L N 2.197 123.458 121.223 0.063 0.000 2.483 278 L HA 0.221 4.560 4.340 -0.002 0.000 0.275 278 L C -1.923 174.971 176.870 0.039 0.000 1.220 278 L CA -1.454 53.408 54.840 0.037 0.000 0.833 278 L CB -0.722 41.346 42.059 0.016 0.000 1.102 278 L HN 0.241 nan 8.230 nan 0.000 0.490 279 P HA -0.086 nan 4.420 nan 0.000 0.263 279 P C 0.070 177.387 177.300 0.027 0.000 1.168 279 P CA 0.127 63.240 63.100 0.021 0.000 0.759 279 P CB 0.389 32.090 31.700 0.001 0.000 0.782 280 A N 3.191 126.038 122.820 0.045 0.000 2.121 280 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 280 A C 1.137 178.756 177.584 0.058 0.000 1.154 280 A CA 1.526 53.599 52.037 0.060 0.000 0.679 280 A CB -0.634 18.404 19.000 0.063 0.000 0.795 280 A HN 0.669 nan 8.150 nan 0.000 0.458 281 D N -0.928 119.492 120.400 0.034 0.000 2.788 281 D HA 0.165 4.804 4.640 -0.002 0.000 0.289 281 D C 0.073 176.359 176.300 -0.024 0.000 1.340 281 D CA -0.493 53.525 54.000 0.030 0.000 0.831 281 D CB -0.734 40.084 40.800 0.031 0.000 1.103 281 D HN 0.407 nan 8.370 nan 0.000 0.476 282 I N 0.780 121.304 120.570 -0.076 0.000 2.752 282 I HA -0.014 4.155 4.170 -0.002 0.000 0.287 282 I C 0.410 176.290 176.117 -0.394 0.000 1.188 282 I CA 0.422 61.580 61.300 -0.237 0.000 1.427 282 I CB 1.087 38.907 38.000 -0.301 0.000 1.365 282 I HN -0.036 nan 8.210 nan 0.000 0.585 283 T N 5.945 120.239 114.554 -0.434 0.000 2.849 283 T HA 0.524 4.873 4.350 -0.002 0.000 0.276 283 T C -0.911 173.354 174.700 -0.725 0.000 0.971 283 T CA -0.263 61.606 62.100 -0.384 0.000 0.949 283 T CB 0.456 69.141 68.868 -0.304 0.000 1.093 283 T HN 0.340 nan 8.240 nan 0.000 0.545 284 F N 0.516 120.347 119.950 -0.197 0.000 2.561 284 F HA 0.334 4.860 4.527 -0.002 0.000 0.313 284 F C 0.563 176.267 175.800 -0.159 0.000 1.126 284 F CA -0.957 56.945 58.000 -0.163 0.000 0.918 284 F CB 1.652 40.545 39.000 -0.179 0.000 1.199 284 F HN 0.351 nan 8.300 nan 0.000 0.444 285 T N 2.841 117.446 114.554 0.085 0.000 2.829 285 T HA 0.406 4.755 4.350 -0.002 0.000 0.293 285 T C 0.266 175.013 174.700 0.080 0.000 0.970 285 T CA -0.138 62.044 62.100 0.136 0.000 1.168 285 T CB 0.340 69.392 68.868 0.306 0.000 0.911 285 T HN 0.687 nan 8.240 nan 0.000 0.535 286 A N 4.290 127.139 122.820 0.048 0.000 2.366 286 A HA 0.755 5.074 4.320 -0.002 0.000 0.272 286 A C -0.192 177.449 177.584 0.095 0.000 1.135 286 A CA -0.549 51.454 52.037 -0.057 0.000 0.804 286 A CB -0.312 18.681 19.000 -0.012 0.000 1.064 286 A HN 0.861 nan 8.150 nan 0.000 0.499 308 G N -0.689 108.100 108.800 -0.019 0.000 2.130 308 G HA2 0.459 4.418 3.960 -0.002 0.000 0.151 308 G HA3 0.459 4.418 3.960 -0.002 0.000 0.151 308 G C 0.755 175.646 174.900 -0.016 0.000 1.173 308 G CA 0.721 45.808 45.100 -0.022 0.000 1.278 308 G HN 2.193 nan 8.290 nan 0.000 0.479 309 G N -0.244 108.529 108.800 -0.045 0.000 3.690 309 G HA2 0.465 4.424 3.960 -0.002 0.000 0.283 309 G HA3 0.465 4.424 3.960 -0.002 0.000 0.283 309 G C 0.951 175.774 174.900 -0.128 0.000 1.057 309 G CA 0.952 46.002 45.100 -0.083 0.000 0.821 309 G HN 0.573 nan 8.290 nan 0.000 0.526 310 F N 1.284 121.099 119.950 -0.225 0.000 2.095 310 F HA -0.057 4.469 4.527 -0.002 0.000 0.298 310 F C 2.369 177.977 175.800 -0.320 0.000 1.104 310 F CA 1.960 59.781 58.000 -0.299 0.000 1.232 310 F CB 0.327 39.158 39.000 -0.282 0.000 0.987 310 F HN 0.272 nan 8.300 nan 0.000 0.475 311 E N -0.419 119.729 120.200 -0.088 0.000 2.072 311 E HA -0.270 4.079 4.350 -0.002 0.000 0.191 311 E C 2.211 178.723 176.600 -0.148 0.000 0.985 311 E CA 1.059 57.347 56.400 -0.187 0.000 0.801 311 E CB -0.338 29.400 29.700 0.063 0.000 0.750 311 E HN 0.553 nan 8.360 nan 0.000 0.452 312 Q N 1.131 120.935 119.800 0.008 0.000 2.014 312 Q HA -0.260 4.079 4.340 -0.002 0.000 0.207 312 Q C 2.210 178.090 176.000 -0.201 0.000 0.993 312 Q CA 1.673 57.494 55.803 0.030 0.000 0.850 312 Q CB 0.003 28.750 28.738 0.015 0.000 0.916 312 Q HN 0.169 nan 8.270 nan 0.000 0.417 313 R N -0.131 120.143 120.500 -0.377 0.000 2.083 313 R HA -0.192 4.147 4.340 -0.002 0.000 0.237 313 R C 2.469 178.511 176.300 -0.429 0.000 1.137 313 R CA 1.461 57.219 56.100 -0.570 0.000 0.951 313 R CB -0.542 29.012 30.300 -1.242 0.000 0.851 313 R HN 0.287 nan 8.270 nan 0.000 0.434 314 L N 0.845 121.745 121.223 -0.538 0.000 2.042 314 L HA -0.119 4.220 4.340 -0.002 0.000 0.210 314 L C 2.240 179.083 176.870 -0.045 0.000 1.076 314 L CA 2.008 56.657 54.840 -0.318 0.000 0.749 314 L CB -0.688 41.072 42.059 -0.497 0.000 0.893 314 L HN 0.153 nan 8.230 nan 0.000 0.432 315 A N -1.199 121.544 122.820 -0.128 0.000 2.019 315 A HA -0.203 4.116 4.320 -0.002 0.000 0.219 315 A C 2.480 179.975 177.584 -0.147 0.000 1.164 315 A CA 1.875 53.756 52.037 -0.260 0.000 0.644 315 A CB -0.931 17.401 19.000 -1.113 0.000 0.805 315 A HN 0.684 nan 8.150 nan 0.000 0.449 316 S N -0.545 115.122 115.700 -0.056 0.000 2.395 316 S HA -0.074 4.395 4.470 -0.002 0.000 0.225 316 S C 1.716 176.366 174.600 0.083 0.000 1.027 316 S CA 1.236 59.463 58.200 0.045 0.000 0.965 316 S CB -0.785 62.486 63.200 0.119 0.000 0.812 316 S HN 0.302 nan 8.310 nan 0.000 0.482 317 V N 2.190 122.184 119.914 0.134 0.000 2.379 317 V HA -0.044 4.075 4.120 -0.002 0.000 0.245 317 V C 2.696 178.839 176.094 0.083 0.000 1.044 317 V CA 1.843 64.210 62.300 0.112 0.000 1.036 317 V CB -0.954 30.970 31.823 0.168 0.000 0.664 317 V HN 0.443 nan 8.190 nan 0.000 0.453 318 M N 0.356 120.009 119.600 0.088 0.000 2.175 318 M HA -0.088 4.391 4.480 -0.002 0.000 0.264 318 M C 2.400 178.725 176.300 0.042 0.000 1.063 318 M CA 2.026 57.371 55.300 0.075 0.000 1.119 318 M CB -0.550 32.116 32.600 0.111 0.000 1.377 318 M HN 0.420 nan 8.290 nan 0.000 0.415 319 A N 0.451 123.289 122.820 0.029 0.000 1.968 319 A HA 0.042 4.361 4.320 -0.002 0.000 0.217 319 A C 2.323 179.943 177.584 0.061 0.000 1.169 319 A CA 1.608 53.669 52.037 0.039 0.000 0.638 319 A CB -1.311 17.712 19.000 0.038 0.000 0.812 319 A HN 0.525 nan 8.150 nan 0.000 0.446 320 G N -0.070 108.764 108.800 0.058 0.000 2.446 320 G HA2 -0.270 3.690 3.960 -0.002 0.000 0.217 320 G HA3 -0.270 3.690 3.960 -0.002 0.000 0.217 320 G C 1.250 176.183 174.900 0.056 0.000 1.168 320 G CA 1.214 46.349 45.100 0.058 0.000 0.771 320 G HN 0.451 nan 8.290 nan 0.000 0.551 321 D N 0.899 121.328 120.400 0.047 0.000 2.097 321 D HA -0.033 4.607 4.640 -0.002 0.000 0.197 321 D C 2.921 179.239 176.300 0.031 0.000 0.984 321 D CA 1.137 55.160 54.000 0.038 0.000 0.826 321 D CB -0.434 40.387 40.800 0.034 0.000 0.973 321 D HN 0.258 nan 8.370 nan 0.000 0.460 322 A N 1.437 124.275 122.820 0.030 0.000 1.903 322 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 322 A C 2.344 179.951 177.584 0.039 0.000 1.191 322 A CA 2.912 54.961 52.037 0.020 0.000 0.638 322 A CB -0.826 18.191 19.000 0.028 0.000 0.823 322 A HN 0.281 nan 8.150 nan 0.000 0.451 323 A N -1.004 121.873 122.820 0.095 0.000 1.873 323 A HA 0.033 4.352 4.320 -0.002 0.000 0.215 323 A C 2.149 179.824 177.584 0.152 0.000 1.186 323 A CA 1.640 53.787 52.037 0.183 0.000 0.616 323 A CB -0.699 18.436 19.000 0.226 0.000 0.823 323 A HN 0.708 nan 8.150 nan 0.000 0.442 324 L N -0.130 121.150 121.223 0.095 0.000 2.043 324 L HA -0.163 4.176 4.340 -0.002 0.000 0.212 324 L C 2.690 179.580 176.870 0.033 0.000 1.075 324 L CA 2.212 57.090 54.840 0.064 0.000 0.752 324 L CB -0.599 41.482 42.059 0.037 0.000 0.891 324 L HN 0.375 nan 8.230 nan 0.000 0.432 325 A N -1.021 121.807 122.820 0.013 0.000 1.873 325 A HA -0.182 4.137 4.320 -0.002 0.000 0.215 325 A C 2.196 179.760 177.584 -0.034 0.000 1.186 325 A CA 1.753 53.780 52.037 -0.017 0.000 0.616 325 A CB -0.989 17.992 19.000 -0.031 0.000 0.823 325 A HN 0.423 nan 8.150 nan 0.000 0.442 326 L N 0.362 121.541 121.223 -0.074 0.000 2.042 326 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 326 L C 2.302 179.071 176.870 -0.168 0.000 1.076 326 L CA 2.691 57.412 54.840 -0.198 0.000 0.749 326 L CB -0.813 40.948 42.059 -0.496 0.000 0.893 326 L HN 0.651 nan 8.230 nan 0.000 0.432 327 E N -1.550 118.650 120.200 -0.001 0.000 2.110 327 E HA -0.244 4.105 4.350 -0.002 0.000 0.193 327 E C 2.260 178.898 176.600 0.062 0.000 0.988 327 E CA 1.257 57.763 56.400 0.178 0.000 0.804 327 E CB -0.156 29.688 29.700 0.241 0.000 0.745 327 E HN 0.541 nan 8.360 nan 0.000 0.458 328 S N 0.008 115.711 115.700 0.005 0.000 2.356 328 S HA -0.144 4.325 4.470 -0.002 0.000 0.223 328 S C 1.981 176.561 174.600 -0.033 0.000 1.032 328 S CA 1.180 59.352 58.200 -0.047 0.000 1.005 328 S CB -0.270 62.889 63.200 -0.068 0.000 0.867 328 S HN 0.327 nan 8.310 nan 0.000 0.449 329 I N 1.725 122.295 120.570 -0.000 0.000 2.113 329 I HA -0.163 4.006 4.170 -0.002 0.000 0.242 329 I C 2.398 178.536 176.117 0.036 0.000 1.064 329 I CA 1.353 62.676 61.300 0.040 0.000 1.320 329 I CB -1.662 36.407 38.000 0.115 0.000 1.028 329 I HN 0.215 nan 8.210 nan 0.000 0.406 330 V N 0.582 120.550 119.914 0.091 0.000 2.594 330 V HA -0.218 3.901 4.120 -0.002 0.000 0.253 330 V C 2.479 178.701 176.094 0.213 0.000 1.069 330 V CA 1.751 64.159 62.300 0.180 0.000 1.082 330 V CB -0.614 31.361 31.823 0.253 0.000 0.680 330 V HN 0.380 nan 8.190 nan 0.000 0.469 331 S N -0.589 115.163 115.700 0.086 0.000 2.436 331 S HA 0.068 4.537 4.470 -0.002 0.000 0.228 331 S C 1.530 176.085 174.600 -0.075 0.000 1.014 331 S CA 0.850 59.045 58.200 -0.008 0.000 0.950 331 S CB -0.109 63.007 63.200 -0.141 0.000 0.784 331 S HN 0.405 nan 8.310 nan 0.000 0.504 332 M N 1.078 120.635 119.600 -0.072 0.000 2.493 332 M HA 0.408 4.887 4.480 -0.002 0.000 0.244 332 M C 0.511 176.729 176.300 -0.137 0.000 1.182 332 M CA -0.362 54.886 55.300 -0.087 0.000 0.981 332 M CB -1.276 31.271 32.600 -0.088 0.000 1.551 332 M HN 0.135 nan 8.290 nan 0.000 0.476 333 A N 0.629 123.315 122.820 -0.224 0.000 2.298 333 A HA 0.782 5.101 4.320 -0.002 0.000 0.302 333 A C -0.248 177.070 177.584 -0.444 0.000 1.177 333 A CA -0.517 51.031 52.037 -0.815 0.000 0.912 333 A CB 1.188 19.086 19.000 -1.836 0.000 1.331 333 A HN 0.115 nan 8.150 nan 0.000 0.504 334 V N 0.497 119.982 119.914 -0.716 0.000 2.488 334 V HA 0.390 4.509 4.120 -0.002 0.000 0.293 334 V C -1.365 174.529 176.094 -0.334 0.000 1.027 334 V CA -0.157 61.988 62.300 -0.258 0.000 0.862 334 V CB 0.656 32.442 31.823 -0.060 0.000 1.008 334 V HN 0.666 nan 8.190 nan 0.000 0.428 335 F N 1.934 121.817 119.950 -0.111 0.000 2.380 335 F HA 0.441 4.967 4.527 -0.002 0.000 0.321 335 F C 1.287 177.139 175.800 0.086 0.000 1.103 335 F CA -0.550 57.446 58.000 -0.007 0.000 1.067 335 F CB 1.056 39.975 39.000 -0.134 0.000 1.265 335 F HN 0.428 nan 8.300 nan 0.000 0.517 336 D N -0.963 119.594 120.400 0.262 0.000 2.305 336 D HA -0.036 4.603 4.640 -0.002 0.000 0.206 336 D C 0.283 176.706 176.300 0.204 0.000 0.974 336 D CA 0.724 54.838 54.000 0.190 0.000 0.871 336 D CB 0.064 40.944 40.800 0.132 0.000 0.947 336 D HN 0.283 nan 8.370 nan 0.000 0.516 337 E N 1.775 122.128 120.200 0.254 0.000 2.376 337 E HA 0.091 4.440 4.350 -0.002 0.000 0.266 337 E C -2.139 174.623 176.600 0.271 0.000 1.009 337 E CA -1.310 55.230 56.400 0.232 0.000 0.902 337 E CB 0.896 30.731 29.700 0.225 0.000 0.972 337 E HN 0.186 nan 8.360 nan 0.000 0.439 338 P HA 0.350 nan 4.420 nan 0.000 0.282 338 P C -2.669 174.586 177.300 -0.074 0.000 1.259 338 P CA -1.981 61.139 63.100 0.033 0.000 0.826 338 P CB 0.308 32.033 31.700 0.043 0.000 1.064 339 P HA 0.092 nan 4.420 nan 0.000 0.268 339 P C -0.128 177.143 177.300 -0.049 0.000 1.205 339 P CA 0.395 63.318 63.100 -0.295 0.000 0.771 339 P CB -0.163 31.343 31.700 -0.323 0.000 0.858 340 T N 1.429 116.014 114.554 0.051 0.000 2.932 340 T HA 0.079 4.428 4.350 -0.002 0.000 0.312 340 T C 0.016 174.793 174.700 0.129 0.000 1.071 340 T CA 0.030 62.246 62.100 0.193 0.000 1.128 340 T CB 0.125 69.227 68.868 0.390 0.000 0.984 340 T HN 0.365 nan 8.240 nan 0.000 0.549 341 D N 1.004 121.499 120.400 0.158 0.000 2.481 341 D HA 0.258 4.897 4.640 -0.002 0.000 0.246 341 D C 1.104 177.287 176.300 -0.194 0.000 1.109 341 D CA -0.859 53.132 54.000 -0.016 0.000 0.845 341 D CB 0.983 41.790 40.800 0.012 0.000 1.160 341 D HN 0.309 nan 8.370 nan 0.000 0.534 342 I N 2.196 122.442 120.570 -0.540 0.000 2.248 342 I HA -0.215 3.954 4.170 -0.002 0.000 0.248 342 I C 2.117 177.992 176.117 -0.403 0.000 1.107 342 I CA 1.175 61.876 61.300 -0.998 0.000 1.373 342 I CB -1.510 36.000 38.000 -0.817 0.000 1.055 342 I HN 0.334 nan 8.210 nan 0.000 0.418 343 S N 0.513 116.071 115.700 -0.236 0.000 2.603 343 S HA 0.281 4.750 4.470 -0.002 0.000 0.229 343 S C 1.716 176.333 174.600 0.027 0.000 0.972 343 S CA 0.397 58.532 58.200 -0.108 0.000 0.935 343 S CB -0.540 62.593 63.200 -0.112 0.000 0.769 343 S HN 0.559 nan 8.310 nan 0.000 0.536 344 A N -0.285 122.595 122.820 0.100 0.000 2.288 344 A HA 0.363 4.682 4.320 -0.002 0.000 0.216 344 A C 0.004 177.770 177.584 0.303 0.000 1.199 344 A CA -0.617 51.523 52.037 0.172 0.000 0.891 344 A CB -0.262 18.831 19.000 0.154 0.000 0.923 344 A HN 0.558 nan 8.150 nan 0.000 0.500 345 W N 2.131 123.480 121.300 0.080 0.000 2.774 345 W HA 0.241 4.900 4.660 -0.002 0.000 0.353 345 W C -1.661 174.822 176.519 -0.059 0.000 1.373 345 W CA -1.908 55.430 57.345 -0.012 0.000 1.432 345 W CB -0.200 29.234 29.460 -0.044 0.000 1.545 345 W HN 0.291 nan 8.180 nan 0.000 0.531 346 P HA -0.246 nan 4.420 nan 0.000 0.223 346 P C 1.692 178.899 177.300 -0.155 0.000 1.144 346 P CA 1.150 64.213 63.100 -0.061 0.000 0.783 346 P CB 0.237 31.846 31.700 -0.152 0.000 0.771 347 L N -1.980 119.086 121.223 -0.261 0.000 2.263 347 L HA -0.158 4.182 4.340 -0.002 0.000 0.216 347 L C 1.865 178.525 176.870 -0.350 0.000 1.111 347 L CA 1.680 56.282 54.840 -0.397 0.000 0.773 347 L CB -0.610 41.145 42.059 -0.506 0.000 0.906 347 L HN -0.200 nan 8.230 nan 0.000 0.439 348 F N 0.110 120.086 119.950 0.042 0.000 2.473 348 F HA 0.127 4.653 4.527 -0.002 0.000 0.294 348 F C 1.222 177.021 175.800 -0.002 0.000 1.103 348 F CA -0.431 57.587 58.000 0.029 0.000 1.442 348 F CB -0.470 38.547 39.000 0.028 0.000 1.097 348 F HN -0.017 nan 8.300 nan 0.000 0.547 349 E N 0.631 120.911 120.200 0.135 0.000 3.379 349 E HA 0.046 4.395 4.350 -0.002 0.000 0.257 349 E C 1.288 177.917 176.600 0.048 0.000 0.882 349 E CA 0.869 57.306 56.400 0.063 0.000 0.962 349 E CB -0.248 29.453 29.700 0.001 0.000 0.900 349 E HN 0.488 nan 8.360 nan 0.000 0.560 350 G N 3.745 112.575 108.800 0.050 0.000 5.452 350 G HA2 -0.421 3.538 3.960 -0.002 0.000 0.310 350 G HA3 -0.421 3.538 3.960 -0.002 0.000 0.310 350 G C 0.536 175.473 174.900 0.061 0.000 1.392 350 G CA 0.237 45.362 45.100 0.041 0.000 0.942 350 G HN 0.567 nan 8.290 nan 0.000 0.776 351 Q N 2.325 122.167 119.800 0.070 0.000 3.025 351 Q HA 0.275 4.614 4.340 -0.002 0.000 0.251 351 Q C 0.335 176.421 176.000 0.144 0.000 1.348 351 Q CA 1.565 57.424 55.803 0.093 0.000 0.906 351 Q CB -0.447 28.343 28.738 0.086 0.000 1.764 351 Q HN 0.707 nan 8.270 nan 0.000 0.535 352 D N -1.240 119.231 120.400 0.119 0.000 2.557 352 D HA 0.060 4.699 4.640 -0.002 0.000 0.317 352 D C 0.566 176.886 176.300 0.033 0.000 1.403 352 D CA 0.301 54.374 54.000 0.121 0.000 0.886 352 D CB 0.601 41.498 40.800 0.161 0.000 1.363 352 D HN 0.194 nan 8.370 nan 0.000 0.458 353 T N -0.252 114.321 114.554 0.032 0.000 2.623 353 T HA 0.200 4.549 4.350 -0.002 0.000 0.254 353 T C 1.218 175.917 174.700 -0.001 0.000 1.075 353 T CA 1.026 63.130 62.100 0.006 0.000 1.177 353 T CB -0.370 68.505 68.868 0.012 0.000 0.869 353 T HN 0.293 nan 8.240 nan 0.000 0.403 354 A N 0.739 123.568 122.820 0.014 0.000 2.429 354 A HA 0.559 4.878 4.320 -0.002 0.000 0.242 354 A C 1.769 179.358 177.584 0.008 0.000 1.088 354 A CA 0.223 52.266 52.037 0.010 0.000 0.784 354 A CB -0.244 18.769 19.000 0.022 0.000 1.038 354 A HN 0.541 nan 8.150 nan 0.000 0.501 355 A N 0.792 123.611 122.820 -0.003 0.000 2.259 355 A HA 0.283 4.602 4.320 -0.002 0.000 0.212 355 A C 1.544 179.146 177.584 0.029 0.000 1.178 355 A CA 1.340 53.372 52.037 -0.008 0.000 0.734 355 A CB -0.778 18.212 19.000 -0.017 0.000 0.774 355 A HN 1.784 nan 8.150 nan 0.000 0.481 356 A N 0.021 122.871 122.820 0.050 0.000 2.728 356 A HA 0.289 4.609 4.320 -0.002 0.000 0.258 356 A C 1.416 179.080 177.584 0.134 0.000 1.454 356 A CA -0.150 51.939 52.037 0.087 0.000 1.146 356 A CB -0.588 18.459 19.000 0.079 0.000 0.985 356 A HN 0.596 nan 8.150 nan 0.000 0.603 357 R N -0.412 120.177 120.500 0.148 0.000 2.223 357 R HA 0.175 4.514 4.340 -0.002 0.000 0.198 357 R C 2.115 178.604 176.300 0.315 0.000 0.984 357 R CA 0.849 57.111 56.100 0.270 0.000 1.018 357 R CB -0.170 30.268 30.300 0.229 0.000 0.945 357 R HN 0.436 nan 8.270 nan 0.000 0.479 358 A N 2.045 124.995 122.820 0.216 0.000 1.986 358 A HA -0.213 4.106 4.320 -0.002 0.000 0.220 358 A C 1.679 179.396 177.584 0.221 0.000 1.171 358 A CA 1.514 53.673 52.037 0.203 0.000 0.640 358 A CB -0.473 18.609 19.000 0.137 0.000 0.811 358 A HN 0.260 nan 8.150 nan 0.000 0.451 359 N N 0.385 119.232 118.700 0.244 0.000 2.084 359 N HA -0.151 4.588 4.740 -0.002 0.000 0.190 359 N C 2.051 177.641 175.510 0.132 0.000 1.030 359 N CA 1.547 54.807 53.050 0.350 0.000 0.849 359 N CB -0.571 38.171 38.487 0.425 0.000 1.012 359 N HN 0.466 nan 8.380 nan 0.000 0.423 360 A N 1.204 124.078 122.820 0.091 0.000 1.903 360 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 360 A C 2.591 180.134 177.584 -0.069 0.000 1.191 360 A CA 1.777 53.788 52.037 -0.042 0.000 0.638 360 A CB -0.984 17.998 19.000 -0.030 0.000 0.823 360 A HN 0.137 nan 8.150 nan 0.000 0.451 361 V N -0.298 119.647 119.914 0.051 0.000 2.427 361 V HA -0.158 3.961 4.120 -0.002 0.000 0.248 361 V C 2.788 178.934 176.094 0.087 0.000 1.051 361 V CA 1.934 64.309 62.300 0.124 0.000 1.048 361 V CB -1.358 30.616 31.823 0.253 0.000 0.666 361 V HN 0.654 nan 8.190 nan 0.000 0.456 362 G N -0.392 108.444 108.800 0.060 0.000 2.418 362 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.217 362 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.217 362 G C 1.755 176.475 174.900 -0.301 0.000 1.158 362 G CA 0.990 46.136 45.100 0.076 0.000 0.771 362 G HN 0.601 nan 8.290 nan 0.000 0.545 363 A N -0.368 121.868 122.820 -0.973 0.000 1.969 363 A HA 0.021 4.340 4.320 -0.002 0.000 0.218 363 A C 2.179 179.481 177.584 -0.470 0.000 1.169 363 A CA 1.616 52.852 52.037 -1.336 0.000 0.635 363 A CB -0.564 17.366 19.000 -1.784 0.000 0.810 363 A HN 0.432 nan 8.150 nan 0.000 0.445 364 Y N 0.533 120.611 120.300 -0.370 0.000 2.109 364 Y HA -0.140 4.409 4.550 -0.002 0.000 0.285 364 Y C 2.008 177.824 175.900 -0.141 0.000 1.131 364 Y CA 1.782 59.721 58.100 -0.268 0.000 1.121 364 Y CB -0.520 37.808 38.460 -0.221 0.000 0.987 364 Y HN 0.203 nan 8.280 nan 0.000 0.495 365 L N -0.235 120.964 121.223 -0.041 0.000 2.129 365 L HA -0.297 4.042 4.340 -0.002 0.000 0.212 365 L C 2.678 179.668 176.870 0.200 0.000 1.087 365 L CA 1.189 56.081 54.840 0.087 0.000 0.757 365 L CB -1.008 41.163 42.059 0.186 0.000 0.896 365 L HN 0.358 nan 8.230 nan 0.000 0.434 366 A N 0.265 123.138 122.820 0.087 0.000 1.933 366 A HA -0.212 4.107 4.320 -0.002 0.000 0.218 366 A C 2.367 179.956 177.584 0.007 0.000 1.175 366 A CA 1.499 53.599 52.037 0.105 0.000 0.628 366 A CB -0.410 18.646 19.000 0.095 0.000 0.814 366 A HN 0.381 nan 8.150 nan 0.000 0.444 367 R N -0.374 120.020 120.500 -0.178 0.000 2.073 367 R HA -0.074 4.265 4.340 -0.002 0.000 0.234 367 R C 2.487 178.671 176.300 -0.194 0.000 1.134 367 R CA 1.280 57.214 56.100 -0.276 0.000 0.952 367 R CB -0.606 29.428 30.300 -0.444 0.000 0.850 367 R HN 0.471 nan 8.270 nan 0.000 0.433 368 A N 1.673 124.375 122.820 -0.197 0.000 1.986 368 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 368 A C 2.443 179.989 177.584 -0.064 0.000 1.171 368 A CA 1.724 53.679 52.037 -0.137 0.000 0.640 368 A CB -0.735 18.166 19.000 -0.167 0.000 0.811 368 A HN 0.429 nan 8.150 nan 0.000 0.451 369 A N -0.391 122.535 122.820 0.178 0.000 1.927 369 A HA -0.047 4.272 4.320 -0.002 0.000 0.220 369 A C 2.462 180.160 177.584 0.191 0.000 1.185 369 A CA 2.265 54.502 52.037 0.333 0.000 0.639 369 A CB -1.548 17.721 19.000 0.447 0.000 0.820 369 A HN 0.880 nan 8.150 nan 0.000 0.451 370 G N -0.824 108.096 108.800 0.199 0.000 2.442 370 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.219 370 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.219 370 G C 1.395 176.546 174.900 0.419 0.000 1.141 370 G CA 1.260 46.651 45.100 0.486 0.000 0.763 370 G HN 0.377 nan 8.290 nan 0.000 0.554 371 L N 0.316 121.679 121.223 0.235 0.000 2.044 371 L HA 0.033 4.373 4.340 -0.002 0.000 0.205 371 L C 3.023 179.942 176.870 0.080 0.000 1.075 371 L CA 1.341 56.263 54.840 0.137 0.000 0.747 371 L CB -0.810 41.312 42.059 0.105 0.000 0.903 371 L HN 0.143 nan 8.230 nan 0.000 0.435 372 V N -0.508 119.394 119.914 -0.019 0.000 2.594 372 V HA -0.145 3.974 4.120 -0.002 0.000 0.253 372 V C 2.219 178.264 176.094 -0.082 0.000 1.069 372 V CA 1.919 64.149 62.300 -0.118 0.000 1.082 372 V CB -0.849 30.780 31.823 -0.324 0.000 0.680 372 V HN 0.458 nan 8.190 nan 0.000 0.469 373 G N -0.261 108.548 108.800 0.015 0.000 2.433 373 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.216 373 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.216 373 G C 1.799 176.679 174.900 -0.034 0.000 1.186 373 G CA 1.075 46.191 45.100 0.026 0.000 0.779 373 G HN 0.862 nan 8.290 nan 0.000 0.543 374 A N 0.349 123.183 122.820 0.024 0.000 1.933 374 A HA 0.025 4.344 4.320 -0.002 0.000 0.218 374 A C 2.334 179.896 177.584 -0.036 0.000 1.175 374 A CA 1.869 53.910 52.037 0.007 0.000 0.628 374 A CB -0.316 18.671 19.000 -0.021 0.000 0.814 374 A HN 0.303 nan 8.150 nan 0.000 0.444 375 M N -0.468 119.096 119.600 -0.061 0.000 2.549 375 M HA -0.020 4.459 4.480 -0.002 0.000 0.260 375 M C 1.688 177.863 176.300 -0.208 0.000 1.076 375 M CA 0.925 56.168 55.300 -0.096 0.000 1.090 375 M CB -0.654 31.899 32.600 -0.077 0.000 1.418 375 M HN 0.269 nan 8.290 nan 0.000 0.486 376 V N -1.916 117.810 119.914 -0.314 0.000 3.085 376 V HA -0.038 4.081 4.120 -0.002 0.000 0.245 376 V C 1.336 177.166 176.094 -0.440 0.000 1.114 376 V CA 0.778 62.796 62.300 -0.471 0.000 1.108 376 V CB -0.257 31.139 31.823 -0.712 0.000 0.798 376 V HN 0.175 nan 8.190 nan 0.000 0.471 377 F N 0.033 119.966 119.950 -0.028 0.000 2.695 377 F HA 0.329 4.854 4.527 -0.002 0.000 0.303 377 F C 1.248 177.005 175.800 -0.072 0.000 1.091 377 F CA -0.527 57.418 58.000 -0.092 0.000 1.300 377 F CB -0.333 38.609 39.000 -0.098 0.000 1.071 377 F HN -0.084 nan 8.300 nan 0.000 0.578 378 S N 0.581 116.349 115.700 0.113 0.000 2.505 378 S HA 0.097 4.566 4.470 -0.002 0.000 0.276 378 S C 1.434 176.130 174.600 0.160 0.000 1.274 378 S CA 0.014 58.267 58.200 0.088 0.000 1.053 378 S CB 0.768 64.005 63.200 0.061 0.000 0.919 378 S HN 0.424 nan 8.310 nan 0.000 0.490 379 T N -0.147 114.455 114.554 0.079 0.000 3.098 379 T HA -0.105 4.244 4.350 -0.002 0.000 0.266 379 T C 0.879 175.766 174.700 0.312 0.000 1.145 379 T CA 0.790 62.982 62.100 0.153 0.000 1.092 379 T CB -0.415 68.437 68.868 -0.027 0.000 0.908 379 T HN 0.700 nan 8.240 nan 0.000 0.526 380 N N 0.521 119.341 118.700 0.199 0.000 2.351 380 N HA 0.128 4.867 4.740 -0.002 0.000 0.254 380 N C -0.266 175.320 175.510 0.127 0.000 1.241 380 N CA -0.369 52.775 53.050 0.155 0.000 0.883 380 N CB 0.391 38.936 38.487 0.097 0.000 1.202 380 N HN 0.271 nan 8.380 nan 0.000 0.512 381 S N -0.254 115.539 115.700 0.157 0.000 2.576 381 S HA 0.480 4.949 4.470 -0.002 0.000 0.276 381 S C 1.528 176.132 174.600 0.007 0.000 1.339 381 S CA 0.122 58.353 58.200 0.051 0.000 1.039 381 S CB 1.002 64.191 63.200 -0.017 0.000 0.902 381 S HN 0.394 nan 8.310 nan 0.000 0.516 382 A N 4.527 127.332 122.820 -0.025 0.000 1.948 382 A HA -0.055 4.265 4.320 -0.002 0.000 0.220 382 A C 2.070 179.599 177.584 -0.091 0.000 1.177 382 A CA 1.616 53.630 52.037 -0.039 0.000 0.636 382 A CB -0.944 18.029 19.000 -0.045 0.000 0.815 382 A HN 0.901 nan 8.150 nan 0.000 0.449 383 L N -1.393 119.721 121.223 -0.182 0.000 2.353 383 L HA -0.165 4.174 4.340 -0.002 0.000 0.220 383 L C 2.139 178.843 176.870 -0.277 0.000 1.133 383 L CA 0.919 55.592 54.840 -0.278 0.000 0.798 383 L CB -0.559 41.255 42.059 -0.408 0.000 0.922 383 L HN 0.499 nan 8.230 nan 0.000 0.445 384 H N -1.011 118.037 119.070 -0.036 0.000 2.681 384 H HA 0.251 4.806 4.556 -0.002 0.000 0.268 384 H C 0.982 176.230 175.328 -0.134 0.000 0.967 384 H CA -0.133 55.864 56.048 -0.084 0.000 1.233 384 H CB 0.322 30.048 29.762 -0.060 0.000 1.445 384 H HN 0.179 nan 8.280 nan 0.000 0.494 385 L N 3.340 124.585 121.223 0.036 0.000 2.451 385 L HA 0.033 4.372 4.340 -0.002 0.000 0.272 385 L C 0.901 177.781 176.870 0.016 0.000 1.258 385 L CA 0.206 55.057 54.840 0.018 0.000 1.132 385 L CB -0.244 41.846 42.059 0.053 0.000 1.361 385 L HN 0.217 nan 8.230 nan 0.000 0.438 386 T N -3.659 110.894 114.554 -0.002 0.000 3.040 386 T HA 0.252 4.601 4.350 -0.002 0.000 0.266 386 T C 0.579 175.307 174.700 0.047 0.000 1.005 386 T CA -0.359 61.754 62.100 0.022 0.000 0.906 386 T CB 0.628 69.506 68.868 0.017 0.000 1.082 386 T HN 0.219 nan 8.240 nan 0.000 0.531 387 E N 1.648 121.869 120.200 0.035 0.000 2.320 387 E HA 0.615 4.964 4.350 -0.002 0.000 0.264 387 E C -0.686 175.988 176.600 0.124 0.000 0.923 387 E CA -0.848 55.612 56.400 0.099 0.000 0.796 387 E CB 2.682 32.391 29.700 0.015 0.000 1.262 387 E HN 0.255 nan 8.360 nan 0.000 0.428 388 V N -1.316 118.710 119.914 0.186 0.000 2.628 388 V HA 0.681 4.800 4.120 -0.002 0.000 0.306 388 V C -0.519 175.625 176.094 0.084 0.000 1.045 388 V CA -0.802 61.559 62.300 0.101 0.000 0.905 388 V CB 1.964 33.837 31.823 0.083 0.000 0.997 388 V HN 0.486 nan 8.190 nan 0.000 0.436 389 D N 1.622 121.905 120.400 -0.195 0.000 2.457 389 D HA 0.409 5.048 4.640 -0.002 0.000 0.240 389 D C -1.489 174.583 176.300 -0.379 0.000 1.041 389 D CA -0.201 53.648 54.000 -0.252 0.000 0.861 389 D CB 2.306 42.933 40.800 -0.288 0.000 1.394 389 D HN 0.804 nan 8.370 nan 0.000 0.473 390 D N 1.949 122.289 120.400 -0.101 0.000 2.373 390 D HA 0.414 5.053 4.640 -0.002 0.000 0.227 390 D C -0.145 176.107 176.300 -0.081 0.000 1.091 390 D CA -0.486 53.471 54.000 -0.072 0.000 0.840 390 D CB 1.529 42.388 40.800 0.098 0.000 1.060 390 D HN 0.358 nan 8.370 nan 0.000 0.502 391 A N 2.856 125.638 122.820 -0.063 0.000 2.308 391 A HA 0.546 4.866 4.320 -0.002 0.000 0.217 391 A C 1.119 178.695 177.584 -0.013 0.000 1.216 391 A CA 0.578 52.667 52.037 0.087 0.000 0.864 391 A CB -0.472 18.713 19.000 0.308 0.000 0.902 391 A HN 0.893 nan 8.150 nan 0.000 0.499 392 G N 0.016 108.742 108.800 -0.123 0.000 2.787 392 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.685 392 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.685 392 G C -2.640 172.155 174.900 -0.175 0.000 1.437 392 G CA -0.415 44.614 45.100 -0.119 0.000 0.872 392 G HN 0.332 nan 8.290 nan 0.000 0.566 393 P HA 0.503 nan 4.420 nan 0.000 0.273 393 P C 0.447 177.625 177.300 -0.203 0.000 1.250 393 P CA 0.576 63.485 63.100 -0.319 0.000 0.793 393 P CB 0.671 32.130 31.700 -0.401 0.000 1.011 400 S N -0.643 115.136 115.700 0.131 0.000 2.540 400 S HA 0.285 4.754 4.470 -0.002 0.000 0.222 400 S C 0.512 175.143 174.600 0.052 0.000 1.008 400 S CA -0.611 57.661 58.200 0.120 0.000 0.939 400 S CB 0.452 63.708 63.200 0.093 0.000 0.865 400 S HN 0.032 nan 8.310 nan 0.000 0.499 401 K N 2.897 123.295 120.400 -0.005 0.000 2.440 401 K HA 0.260 4.579 4.320 -0.002 0.000 0.270 401 K C -2.497 174.002 176.600 -0.170 0.000 0.980 401 K CA -1.352 54.897 56.287 -0.064 0.000 0.953 401 K CB -0.398 32.066 32.500 -0.059 0.000 0.925 401 K HN 0.171 nan 8.250 nan 0.000 0.497 402 P HA -0.058 nan 4.420 nan 0.000 0.268 402 P C -0.584 176.396 177.300 -0.533 0.000 1.189 402 P CA 0.562 63.387 63.100 -0.459 0.000 0.771 402 P CB 0.410 31.837 31.700 -0.454 0.000 0.822 403 S N 0.755 116.016 115.700 -0.732 0.000 2.593 403 S HA 0.211 4.680 4.470 -0.002 0.000 0.178 403 S C 0.105 174.457 174.600 -0.414 0.000 1.114 403 S CA -0.215 57.633 58.200 -0.587 0.000 1.199 403 S CB -0.650 61.952 63.200 -0.998 0.000 1.564 403 S HN 0.252 nan 8.310 nan 0.000 0.407 404 F N 0.515 120.283 119.950 -0.303 0.000 2.641 404 F HA 0.106 4.632 4.527 -0.001 0.000 0.298 404 F C 0.882 176.362 175.800 -0.532 0.000 1.146 404 F CA 0.653 58.386 58.000 -0.445 0.000 1.464 404 F CB -0.355 38.248 39.000 -0.661 0.000 1.101 404 F HN 0.478 nan 8.300 nan 0.000 0.585 405 Y N -1.889 118.507 120.300 0.160 0.000 2.641 405 Y HA 0.278 4.827 4.550 -0.002 0.000 0.248 405 Y C 1.932 177.939 175.900 0.179 0.000 1.170 405 Y CA -0.881 57.312 58.100 0.156 0.000 1.201 405 Y CB -0.520 37.986 38.460 0.077 0.000 1.232 405 Y HN -0.109 nan 8.280 nan 0.000 0.537 406 R N 0.257 120.816 120.500 0.100 0.000 2.070 406 R HA -0.056 4.283 4.340 -0.002 0.000 0.233 406 R C -0.446 175.767 176.300 -0.145 0.000 1.137 406 R CA 1.275 57.289 56.100 -0.143 0.000 0.945 406 R CB -0.084 29.889 30.300 -0.546 0.000 0.845 406 R HN 0.051 nan 8.270 nan 0.000 0.430 407 F N 0.633 120.698 119.950 0.191 0.000 2.421 407 F HA 0.386 4.912 4.527 -0.002 0.000 0.337 407 F C -0.439 175.473 175.800 0.187 0.000 1.105 407 F CA -0.886 57.140 58.000 0.044 0.000 1.049 407 F CB 1.473 40.502 39.000 0.049 0.000 1.139 407 F HN 0.041 nan 8.300 nan 0.000 0.479 408 F N 0.009 120.142 119.950 0.305 0.000 2.719 408 F HA 0.608 5.135 4.527 -0.002 0.000 0.309 408 F C -1.932 173.973 175.800 0.175 0.000 1.138 408 F CA -1.760 56.368 58.000 0.212 0.000 0.943 408 F CB 0.608 39.716 39.000 0.180 0.000 1.304 408 F HN 0.214 nan 8.300 nan 0.000 0.445 409 L N 3.245 124.680 121.223 0.354 0.000 2.426 409 L HA 0.646 4.985 4.340 -0.002 0.000 0.271 409 L C 0.087 177.132 176.870 0.291 0.000 1.169 409 L CA -0.790 54.190 54.840 0.234 0.000 0.836 409 L CB 1.064 43.224 42.059 0.169 0.000 1.112 409 L HN 0.717 nan 8.230 nan 0.000 0.465 410 V N 0.909 120.924 119.914 0.168 0.000 3.102 410 V HA 0.666 4.785 4.120 -0.002 0.000 0.312 410 V C -2.645 173.436 176.094 -0.023 0.000 1.135 410 V CA -2.322 60.055 62.300 0.128 0.000 1.022 410 V CB 1.837 33.742 31.823 0.136 0.000 1.056 410 V HN 0.554 nan 8.190 nan 0.000 0.436 411 P HA 0.345 nan 4.420 nan 0.000 0.271 411 P C 0.254 177.350 177.300 -0.340 0.000 1.216 411 P CA 0.444 63.301 63.100 -0.406 0.000 0.776 411 P CB 1.424 32.558 31.700 -0.943 0.000 0.881 412 G N 1.260 109.891 108.800 -0.281 0.000 4.530 412 G HA2 0.038 3.997 3.960 -0.002 0.000 0.284 412 G HA3 0.038 3.997 3.960 -0.002 0.000 0.284 412 G C 0.882 175.733 174.900 -0.082 0.000 1.008 412 G CA 0.050 45.034 45.100 -0.192 0.000 0.770 412 G HN 0.372 nan 8.290 nan 0.000 0.424 413 T N 1.066 115.580 114.554 -0.066 0.000 2.867 413 T HA -0.099 4.250 4.350 -0.002 0.000 0.268 413 T C 2.140 176.960 174.700 0.200 0.000 1.057 413 T CA 1.508 63.654 62.100 0.076 0.000 1.136 413 T CB -0.235 68.756 68.868 0.206 0.000 0.874 413 T HN 0.614 nan 8.240 nan 0.000 0.466 414 H N 0.019 119.087 119.070 -0.004 0.000 2.547 414 H HA 0.270 4.825 4.556 -0.002 0.000 0.266 414 H C 1.305 176.702 175.328 0.116 0.000 0.988 414 H CA 0.130 56.244 56.048 0.110 0.000 1.147 414 H CB -0.524 29.348 29.762 0.183 0.000 1.365 414 H HN 0.261 nan 8.280 nan 0.000 0.589 415 V N 0.103 119.875 119.914 -0.236 0.000 3.432 415 V HA 0.300 4.419 4.120 -0.002 0.000 0.298 415 V C 2.293 178.415 176.094 0.048 0.000 1.464 415 V CA 0.518 62.696 62.300 -0.204 0.000 1.046 415 V CB 0.266 31.794 31.823 -0.491 0.000 0.887 415 V HN 0.510 nan 8.190 nan 0.000 0.441 416 A N 0.597 123.487 122.820 0.117 0.000 2.272 416 A HA 0.093 4.412 4.320 -0.002 0.000 0.213 416 A C 2.057 179.915 177.584 0.456 0.000 1.183 416 A CA 1.698 53.874 52.037 0.231 0.000 0.719 416 A CB -0.207 18.810 19.000 0.029 0.000 0.771 416 A HN 0.596 nan 8.150 nan 0.000 0.484 417 A N -0.670 122.374 122.820 0.373 0.000 2.169 417 A HA 0.217 4.536 4.320 -0.002 0.000 0.210 417 A C 0.859 178.579 177.584 0.226 0.000 1.168 417 A CA -0.159 52.022 52.037 0.239 0.000 0.813 417 A CB -0.148 18.901 19.000 0.082 0.000 0.861 417 A HN 0.484 nan 8.150 nan 0.000 0.481 418 N N 0.993 119.822 118.700 0.214 0.000 2.231 418 N HA 0.227 4.966 4.740 -0.002 0.000 0.223 418 N C -2.742 172.918 175.510 0.249 0.000 1.329 418 N CA -0.884 52.289 53.050 0.205 0.000 0.889 418 N CB -0.241 38.361 38.487 0.193 0.000 1.125 418 N HN 0.097 nan 8.380 nan 0.000 0.447 419 P HA 0.099 nan 4.420 nan 0.000 0.272 419 P C -0.749 176.494 177.300 -0.095 0.000 1.223 419 P CA -0.044 63.184 63.100 0.213 0.000 0.784 419 P CB 0.539 32.339 31.700 0.166 0.000 0.923 420 Q N 1.141 120.548 119.800 -0.655 0.000 2.278 420 Q HA 0.419 4.758 4.340 -0.002 0.000 0.257 420 Q C -0.435 175.327 176.000 -0.397 0.000 0.928 420 Q CA -0.456 54.903 55.803 -0.739 0.000 0.932 420 Q CB 1.534 29.415 28.738 -1.427 0.000 1.221 420 Q HN 0.181 nan 8.270 nan 0.000 0.434 421 V N 2.631 122.449 119.914 -0.161 0.000 2.881 421 V HA 0.297 4.416 4.120 -0.002 0.000 0.316 421 V C -0.280 175.846 176.094 0.054 0.000 1.070 421 V CA -0.578 61.691 62.300 -0.052 0.000 0.976 421 V CB 2.274 34.062 31.823 -0.059 0.000 1.038 421 V HN 0.880 nan 8.190 nan 0.000 0.446 422 D N 2.279 122.708 120.400 0.047 0.000 2.511 422 D HA 0.236 4.875 4.640 -0.002 0.000 0.276 422 D C 1.178 177.480 176.300 0.002 0.000 1.220 422 D CA -0.497 53.574 54.000 0.118 0.000 1.077 422 D CB 0.418 41.271 40.800 0.088 0.000 1.126 422 D HN 0.340 nan 8.370 nan 0.000 0.583 423 R N -0.513 120.000 120.500 0.021 0.000 2.134 423 R HA -0.231 4.108 4.340 -0.002 0.000 0.248 423 R C 1.032 177.173 176.300 -0.265 0.000 1.143 423 R CA 2.005 57.983 56.100 -0.204 0.000 0.957 423 R CB -0.158 30.132 30.300 -0.017 0.000 0.867 423 R HN 0.591 nan 8.270 nan 0.000 0.441 424 E N -1.368 118.757 120.200 -0.125 0.000 2.403 424 E HA 0.133 4.482 4.350 -0.002 0.000 0.188 424 E C 0.434 176.740 176.600 -0.490 0.000 1.056 424 E CA 0.327 56.620 56.400 -0.179 0.000 0.892 424 E CB 0.794 30.402 29.700 -0.153 0.000 1.049 424 E HN 0.611 nan 8.360 nan 0.000 0.465 425 G N 2.126 110.694 108.800 -0.387 0.000 2.160 425 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.251 425 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.251 425 G C -0.226 174.496 174.900 -0.296 0.000 1.008 425 G CA -0.123 44.774 45.100 -0.338 0.000 0.724 425 G HN 0.367 nan 8.290 nan 0.000 0.514 426 H N -0.674 118.384 119.070 -0.020 0.000 2.457 426 H HA 0.521 5.076 4.556 -0.002 0.000 0.335 426 H C 0.716 176.041 175.328 -0.005 0.000 1.115 426 H CA -0.721 55.324 56.048 -0.005 0.000 1.219 426 H CB 1.629 31.395 29.762 0.006 0.000 1.471 426 H HN 0.084 nan 8.280 nan 0.000 0.491 427 V N 3.302 123.295 119.914 0.132 0.000 3.032 427 V HA -0.097 4.022 4.120 -0.002 0.000 0.307 427 V C 1.397 177.545 176.094 0.091 0.000 1.097 427 V CA 0.198 62.547 62.300 0.081 0.000 1.191 427 V CB 0.577 32.465 31.823 0.107 0.000 0.964 427 V HN 0.573 nan 8.190 nan 0.000 0.494 428 V N 4.151 124.105 119.914 0.066 0.000 2.504 428 V HA 0.140 4.259 4.120 -0.002 0.000 0.215 428 V C -0.514 175.674 176.094 0.156 0.000 1.123 428 V CA 1.168 63.525 62.300 0.095 0.000 1.143 428 V CB -1.060 30.783 31.823 0.034 0.000 0.743 428 V HN 0.958 nan 8.190 nan 0.000 0.494 429 P HA 0.212 nan 4.420 nan 0.000 0.407 429 P C 1.328 178.723 177.300 0.158 0.000 0.753 429 P CA 1.068 64.270 63.100 0.169 0.000 1.909 429 P CB 0.026 31.803 31.700 0.129 0.000 0.985 430 G N -0.708 108.158 108.800 0.111 0.000 2.990 430 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.206 430 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.206 430 G C 0.415 175.185 174.900 -0.217 0.000 1.169 430 G CA 0.096 45.149 45.100 -0.077 0.000 0.819 430 G HN 0.123 nan 8.290 nan 0.000 0.517 431 F N 0.756 120.720 119.950 0.023 0.000 2.746 431 F HA 0.176 4.702 4.527 -0.002 0.000 0.297 431 F C 1.569 177.391 175.800 0.036 0.000 1.113 431 F CA -0.638 57.381 58.000 0.032 0.000 1.367 431 F CB 0.221 39.242 39.000 0.034 0.000 1.111 431 F HN 0.166 nan 8.300 nan 0.000 0.590 432 E N 0.816 121.116 120.200 0.168 0.000 2.442 432 E HA 0.210 4.559 4.350 -0.002 0.000 0.262 432 E C 1.204 177.850 176.600 0.077 0.000 1.004 432 E CA 1.073 57.540 56.400 0.112 0.000 0.928 432 E CB 0.756 30.502 29.700 0.077 0.000 0.937 432 E HN 0.396 nan 8.360 nan 0.000 0.446 433 G N 4.159 113.004 108.800 0.074 0.000 2.729 433 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.216 433 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.216 433 G C 0.299 175.241 174.900 0.070 0.000 1.252 433 G CA 0.100 45.234 45.100 0.057 0.000 0.751 433 G HN 0.611 nan 8.290 nan 0.000 0.527 434 R N 2.495 123.046 120.500 0.086 0.000 2.566 434 R HA 0.258 4.597 4.340 -0.002 0.000 0.273 434 R C -1.963 174.407 176.300 0.117 0.000 0.981 434 R CA 0.201 56.365 56.100 0.107 0.000 1.091 434 R CB -0.018 30.372 30.300 0.151 0.000 0.924 434 R HN 0.381 nan 8.270 nan 0.000 0.411 435 P HA 0.022 nan 4.420 nan 0.000 0.279 435 P C -0.569 176.805 177.300 0.123 0.000 1.239 435 P CA -0.319 62.846 63.100 0.108 0.000 0.789 435 P CB 1.339 33.100 31.700 0.103 0.000 0.933 436 T N 0.371 114.993 114.554 0.114 0.000 2.781 436 T HA 0.577 4.926 4.350 -0.002 0.000 0.305 436 T C 0.200 174.967 174.700 0.113 0.000 1.001 436 T CA -0.647 61.527 62.100 0.123 0.000 0.950 436 T CB -0.262 68.679 68.868 0.122 0.000 0.955 436 T HN 0.477 nan 8.240 nan 0.000 0.471 437 A N 6.848 129.731 122.820 0.105 0.000 2.445 437 A HA 0.610 4.929 4.320 -0.002 0.000 0.242 437 A C -1.972 175.649 177.584 0.063 0.000 1.075 437 A CA -1.380 50.707 52.037 0.084 0.000 0.777 437 A CB -0.139 18.904 19.000 0.072 0.000 1.013 437 A HN 0.794 nan 8.150 nan 0.000 0.493 438 P HA 0.119 nan 4.420 nan 0.000 0.278 438 P C 0.572 177.909 177.300 0.060 0.000 1.238 438 P CA -0.436 62.719 63.100 0.093 0.000 0.794 438 P CB 1.048 32.814 31.700 0.110 0.000 0.955 439 L N 3.570 124.825 121.223 0.053 0.000 2.275 439 L HA 0.007 4.346 4.340 -0.002 0.000 0.215 439 L C 0.316 177.356 176.870 0.283 0.000 1.119 439 L CA 1.605 56.461 54.840 0.027 0.000 0.790 439 L CB -0.000 42.035 42.059 -0.040 0.000 0.919 439 L HN 0.121 nan 8.230 nan 0.000 0.443 440 V N -0.289 119.747 119.914 0.203 0.000 2.709 440 V HA 0.778 4.897 4.120 -0.002 0.000 0.308 440 V C 0.480 176.659 176.094 0.142 0.000 1.062 440 V CA -0.425 61.977 62.300 0.170 0.000 0.901 440 V CB 0.863 32.758 31.823 0.120 0.000 1.003 440 V HN 0.537 nan 8.190 nan 0.000 0.425 441 G N 3.158 112.027 108.800 0.114 0.000 2.645 441 G HA2 0.403 4.362 3.960 -0.002 0.000 0.239 441 G HA3 0.403 4.362 3.960 -0.002 0.000 0.239 441 G C 0.469 175.437 174.900 0.114 0.000 1.331 441 G CA -0.146 45.005 45.100 0.085 0.000 0.890 441 G HN 2.646 nan 8.290 nan 0.000 0.572 442 G N -3.214 105.639 108.800 0.088 0.000 2.730 442 G HA2 0.451 4.410 3.960 -0.002 0.000 0.686 442 G HA3 0.451 4.410 3.960 -0.002 0.000 0.686 442 G C 0.301 175.254 174.900 0.088 0.000 1.343 442 G CA 0.659 45.818 45.100 0.097 0.000 0.826 442 G HN 2.822 nan 8.290 nan 0.000 0.582 443 T N -0.723 113.883 114.554 0.087 0.000 2.875 443 T HA 0.589 4.938 4.350 -0.002 0.000 0.307 443 T C 0.422 175.186 174.700 0.107 0.000 1.013 443 T CA -0.164 61.983 62.100 0.077 0.000 0.970 443 T CB 0.819 69.727 68.868 0.066 0.000 0.986 443 T HN 0.712 nan 8.240 nan 0.000 0.536 444 Q N 2.053 121.917 119.800 0.107 0.000 2.354 444 Q HA 0.333 4.672 4.340 -0.002 0.000 0.244 444 Q C 0.003 176.087 176.000 0.139 0.000 0.969 444 Q CA -0.386 55.502 55.803 0.143 0.000 0.885 444 Q CB 1.082 29.895 28.738 0.124 0.000 1.241 444 Q HN 0.777 nan 8.270 nan 0.000 0.461 445 E N 1.766 122.065 120.200 0.164 0.000 2.199 445 E HA 0.265 4.614 4.350 -0.002 0.000 0.265 445 E C -1.720 174.946 176.600 0.109 0.000 0.882 445 E CA -0.617 55.901 56.400 0.198 0.000 0.759 445 E CB 0.824 30.679 29.700 0.259 0.000 1.148 445 E HN 0.506 nan 8.360 nan 0.000 0.412 446 F N 4.704 124.673 119.950 0.032 0.000 2.363 446 F HA 0.566 5.092 4.527 -0.002 0.000 0.366 446 F C -0.680 175.209 175.800 0.148 0.000 1.083 446 F CA -0.498 57.450 58.000 -0.087 0.000 1.176 446 F CB 0.366 39.218 39.000 -0.247 0.000 1.432 446 F HN 0.545 nan 8.300 nan 0.000 0.482 447 A N 2.481 125.433 122.820 0.220 0.000 2.263 447 A HA 0.604 4.923 4.320 -0.002 0.000 0.318 447 A C 1.503 179.050 177.584 -0.060 0.000 1.111 447 A CA -0.132 51.976 52.037 0.119 0.000 0.901 447 A CB 0.082 19.212 19.000 0.217 0.000 1.280 447 A HN 0.813 nan 8.150 nan 0.000 0.503 448 G N -0.625 108.174 108.800 -0.001 0.000 2.469 448 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.220 448 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.220 448 G C 1.051 175.945 174.900 -0.011 0.000 1.136 448 G CA 1.389 46.482 45.100 -0.011 0.000 0.759 448 G HN 0.844 nan 8.290 nan 0.000 0.562 449 E N -0.105 120.097 120.200 0.004 0.000 2.070 449 E HA -0.202 4.147 4.350 -0.002 0.000 0.197 449 E C 2.240 178.903 176.600 0.104 0.000 1.004 449 E CA 1.264 57.707 56.400 0.071 0.000 0.805 449 E CB -0.282 29.425 29.700 0.011 0.000 0.744 449 E HN 0.588 nan 8.360 nan 0.000 0.451 450 H N 0.188 119.347 119.070 0.147 0.000 2.321 450 H HA -0.111 4.444 4.556 -0.002 0.000 0.300 450 H C 2.386 177.614 175.328 -0.167 0.000 1.087 450 H CA 0.975 57.004 56.048 -0.032 0.000 1.319 450 H CB -0.432 29.233 29.762 -0.163 0.000 1.379 450 H HN 0.104 nan 8.280 nan 0.000 0.501 451 L N 1.285 122.400 121.223 -0.180 0.000 2.081 451 L HA -0.140 4.199 4.340 -0.002 0.000 0.212 451 L C 2.588 179.409 176.870 -0.082 0.000 1.080 451 L CA 1.737 56.514 54.840 -0.105 0.000 0.754 451 L CB -0.781 41.216 42.059 -0.103 0.000 0.893 451 L HN 0.213 nan 8.230 nan 0.000 0.433 452 A N -1.158 121.626 122.820 -0.061 0.000 1.972 452 A HA -0.251 4.068 4.320 -0.002 0.000 0.219 452 A C 2.379 179.744 177.584 -0.365 0.000 1.169 452 A CA 1.937 53.931 52.037 -0.072 0.000 0.635 452 A CB -0.613 18.446 19.000 0.099 0.000 0.810 452 A HN 0.589 nan 8.150 nan 0.000 0.446 453 M N -0.324 118.971 119.600 -0.509 0.000 2.156 453 M HA -0.034 4.445 4.480 -0.002 0.000 0.264 453 M C 1.688 177.552 176.300 -0.727 0.000 1.067 453 M CA 1.477 56.082 55.300 -1.160 0.000 1.131 453 M CB -0.284 31.807 32.600 -0.847 0.000 1.368 453 M HN 0.384 nan 8.290 nan 0.000 0.416 454 L N 0.127 121.132 121.223 -0.363 0.000 2.187 454 L HA -0.142 4.197 4.340 -0.002 0.000 0.213 454 L C 1.533 178.246 176.870 -0.261 0.000 1.100 454 L CA 1.243 55.932 54.840 -0.252 0.000 0.765 454 L CB -0.944 41.035 42.059 -0.133 0.000 0.904 454 L HN 0.467 nan 8.230 nan 0.000 0.437 455 S N -0.684 114.855 115.700 -0.269 0.000 2.481 455 S HA 0.382 4.851 4.470 -0.002 0.000 0.243 455 S C 1.244 175.709 174.600 -0.225 0.000 1.152 455 S CA 0.008 58.091 58.200 -0.195 0.000 1.168 455 S CB 0.340 63.476 63.200 -0.107 0.000 0.835 455 S HN 0.477 nan 8.310 nan 0.000 0.474 456 G N 1.070 109.662 108.800 -0.347 0.000 2.269 456 G HA2 -0.341 3.619 3.960 -0.002 0.000 0.277 456 G HA3 -0.341 3.619 3.960 -0.002 0.000 0.277 456 G C 0.266 175.063 174.900 -0.171 0.000 1.008 456 G CA 0.019 44.938 45.100 -0.301 0.000 0.774 456 G HN 0.921 nan 8.290 nan 0.000 0.511 457 F N -1.334 118.565 119.950 -0.084 0.000 3.080 457 F HA -0.182 4.344 4.527 -0.001 0.000 0.292 457 F C 1.088 176.897 175.800 0.015 0.000 0.891 457 F CA 0.983 58.965 58.000 -0.030 0.000 1.086 457 F CB -1.988 36.988 39.000 -0.041 0.000 1.095 457 F HN 0.669 nan 8.300 nan 0.000 0.633 458 S N 1.429 117.188 115.700 0.097 0.000 2.448 458 S HA 0.505 4.974 4.470 -0.002 0.000 0.320 458 S C -0.663 173.988 174.600 0.085 0.000 1.071 458 S CA -1.289 56.970 58.200 0.099 0.000 1.113 458 S CB 1.485 64.725 63.200 0.066 0.000 0.972 458 S HN -0.017 nan 8.310 nan 0.000 0.465 459 P HA -0.029 nan 4.420 nan 0.000 0.219 459 P C 1.360 178.706 177.300 0.075 0.000 1.150 459 P CA 1.039 64.191 63.100 0.087 0.000 0.814 459 P CB 0.012 31.767 31.700 0.092 0.000 0.787 460 A N 0.571 123.438 122.820 0.079 0.000 1.883 460 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 460 A C 2.470 180.089 177.584 0.059 0.000 1.186 460 A CA 1.525 53.606 52.037 0.073 0.000 0.624 460 A CB -1.593 17.461 19.000 0.091 0.000 0.822 460 A HN 0.122 nan 8.150 nan 0.000 0.444 461 L N -1.205 120.051 121.223 0.055 0.000 2.072 461 L HA -0.118 4.222 4.340 -0.002 0.000 0.205 461 L C 2.524 179.416 176.870 0.038 0.000 1.079 461 L CA 1.004 55.865 54.840 0.036 0.000 0.752 461 L CB -0.545 41.525 42.059 0.018 0.000 0.906 461 L HN 0.464 nan 8.230 nan 0.000 0.436 462 L N 0.606 121.852 121.223 0.037 0.000 2.081 462 L HA -0.223 4.116 4.340 -0.002 0.000 0.212 462 L C 2.587 179.501 176.870 0.073 0.000 1.080 462 L CA 2.028 56.894 54.840 0.043 0.000 0.754 462 L CB -0.808 41.277 42.059 0.043 0.000 0.893 462 L HN 0.175 nan 8.230 nan 0.000 0.433 463 A N -0.829 122.035 122.820 0.074 0.000 1.865 463 A HA -0.226 4.093 4.320 -0.002 0.000 0.217 463 A C 2.347 179.998 177.584 0.112 0.000 1.191 463 A CA 1.854 53.945 52.037 0.090 0.000 0.623 463 A CB -0.633 18.410 19.000 0.072 0.000 0.826 463 A HN 0.355 nan 8.150 nan 0.000 0.444 464 K N -0.987 119.458 120.400 0.076 0.000 2.209 464 K HA -0.108 4.211 4.320 -0.002 0.000 0.204 464 K C 1.897 178.629 176.600 0.219 0.000 1.048 464 K CA 1.668 57.990 56.287 0.059 0.000 0.940 464 K CB -0.423 32.076 32.500 -0.002 0.000 0.729 464 K HN 0.548 nan 8.250 nan 0.000 0.451 465 M N 0.519 120.233 119.600 0.190 0.000 2.067 465 M HA -0.138 4.341 4.480 -0.002 0.000 0.260 465 M C 1.839 178.293 176.300 0.256 0.000 1.069 465 M CA 1.548 56.975 55.300 0.212 0.000 1.117 465 M CB -0.336 32.322 32.600 0.096 0.000 1.334 465 M HN 0.056 nan 8.290 nan 0.000 0.407 466 L N -0.915 120.428 121.223 0.200 0.000 2.083 466 L HA -0.181 4.158 4.340 -0.002 0.000 0.209 466 L C 2.393 179.403 176.870 0.233 0.000 1.083 466 L CA 1.272 56.227 54.840 0.192 0.000 0.752 466 L CB -1.036 41.112 42.059 0.149 0.000 0.899 466 L HN 0.394 nan 8.230 nan 0.000 0.433 467 F N 0.069 120.055 119.950 0.059 0.000 2.115 467 F HA -0.333 4.193 4.527 -0.002 0.000 0.300 467 F C 2.166 177.952 175.800 -0.023 0.000 1.092 467 F CA 1.736 59.721 58.000 -0.025 0.000 1.245 467 F CB -0.373 38.493 39.000 -0.223 0.000 0.995 467 F HN -0.026 nan 8.300 nan 0.000 0.481 468 Y N -0.790 119.759 120.300 0.416 0.000 2.231 468 Y HA -0.040 4.509 4.550 -0.002 0.000 0.294 468 Y C 2.200 178.193 175.900 0.155 0.000 1.120 468 Y CA 0.804 59.070 58.100 0.276 0.000 1.141 468 Y CB -0.964 37.651 38.460 0.257 0.000 1.022 468 Y HN 0.017 nan 8.280 nan 0.000 0.523 469 L N 0.597 122.010 121.223 0.316 0.000 2.079 469 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 469 L C 1.971 178.959 176.870 0.197 0.000 1.081 469 L CA 1.729 56.712 54.840 0.239 0.000 0.752 469 L CB -0.818 41.366 42.059 0.209 0.000 0.896 469 L HN 0.263 nan 8.230 nan 0.000 0.433 470 E N -1.174 119.122 120.200 0.159 0.000 2.268 470 E HA -0.139 4.210 4.350 -0.002 0.000 0.195 470 E C 1.358 178.036 176.600 0.130 0.000 0.995 470 E CA 0.375 56.839 56.400 0.106 0.000 0.836 470 E CB 0.119 29.912 29.700 0.155 0.000 0.763 470 E HN 0.295 nan 8.360 nan 0.000 0.491 471 R N -0.389 120.210 120.500 0.166 0.000 2.388 471 R HA 0.180 4.519 4.340 -0.002 0.000 0.247 471 R C 0.206 176.608 176.300 0.169 0.000 0.931 471 R CA 0.033 56.244 56.100 0.185 0.000 1.082 471 R CB -0.562 29.820 30.300 0.137 0.000 1.135 471 R HN 0.109 nan 8.270 nan 0.000 0.525 472 C N -0.313 119.089 119.300 0.170 0.000 2.547 472 C HA 0.343 4.802 4.460 -0.002 0.000 0.411 472 C C 0.371 175.443 174.990 0.136 0.000 1.424 472 C CA -0.527 58.605 59.018 0.190 0.000 1.848 472 C CB 1.239 29.137 27.740 0.263 0.000 2.062 472 C HN 0.641 nan 8.230 nan 0.000 0.504 473 D N -0.788 119.701 120.400 0.147 0.000 2.922 473 D HA -0.072 4.567 4.640 -0.002 0.000 0.252 473 D C 0.300 176.636 176.300 0.060 0.000 1.070 473 D CA 0.853 54.897 54.000 0.072 0.000 0.813 473 D CB -1.109 39.702 40.800 0.017 0.000 1.046 473 D HN 0.940 nan 8.370 nan 0.000 0.429 474 G N 0.765 109.630 108.800 0.108 0.000 3.455 474 G HA2 0.485 4.444 3.960 -0.002 0.000 0.250 474 G HA3 0.485 4.444 3.960 -0.002 0.000 0.250 474 G C 0.672 175.609 174.900 0.062 0.000 1.071 474 G CA 0.146 45.305 45.100 0.099 0.000 1.812 474 G HN 0.684 nan 8.290 nan 0.000 0.643 475 A N 0.166 122.997 122.820 0.019 0.000 2.388 475 A HA 0.531 4.850 4.320 -0.002 0.000 0.257 475 A C 0.956 178.534 177.584 -0.010 0.000 1.095 475 A CA 0.112 52.142 52.037 -0.011 0.000 0.791 475 A CB 0.982 19.956 19.000 -0.044 0.000 1.029 475 A HN 1.195 nan 8.150 nan 0.000 0.489 476 V N -0.694 119.211 119.914 -0.014 0.000 3.265 476 V HA 0.328 4.447 4.120 -0.002 0.000 0.346 476 V C -0.087 175.994 176.094 -0.021 0.000 1.447 476 V CA 0.148 62.441 62.300 -0.011 0.000 1.179 476 V CB -1.018 30.806 31.823 0.003 0.000 1.103 476 V HN 0.617 nan 8.190 nan 0.000 0.530 477 I N -1.547 119.003 120.570 -0.034 0.000 4.557 477 I HA 0.384 4.553 4.170 -0.002 0.000 0.333 477 I C 0.790 176.879 176.117 -0.048 0.000 1.332 477 I CA 0.014 61.290 61.300 -0.039 0.000 1.240 477 I CB 0.727 38.700 38.000 -0.046 0.000 1.312 477 I HN 0.056 nan 8.210 nan 0.000 0.457 484 D N 4.066 124.421 120.400 -0.075 0.000 2.393 484 D HA 0.298 4.937 4.640 -0.002 0.000 0.232 484 D C 0.835 177.095 176.300 -0.065 0.000 1.192 484 D CA -0.038 53.913 54.000 -0.083 0.000 0.882 484 D CB 1.266 42.062 40.800 -0.007 0.000 1.038 484 D HN 0.474 nan 8.370 nan 0.000 0.499 485 V N 4.800 124.586 119.914 -0.214 0.000 2.295 485 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 485 V C 2.188 178.304 176.094 0.036 0.000 1.049 485 V CA 1.473 63.690 62.300 -0.139 0.000 1.024 485 V CB -0.819 30.803 31.823 -0.335 0.000 0.648 485 V HN 0.563 nan 8.190 nan 0.000 0.447 486 F N 0.057 120.019 119.950 0.020 0.000 2.069 486 F HA -0.209 4.317 4.527 -0.002 0.000 0.298 486 F C 2.834 178.649 175.800 0.024 0.000 1.113 486 F CA 1.810 59.811 58.000 0.001 0.000 1.214 486 F CB -0.390 38.601 39.000 -0.016 0.000 0.978 486 F HN -0.034 nan 8.300 nan 0.000 0.474 487 R N -0.210 120.425 120.500 0.225 0.000 2.083 487 R HA -0.251 4.089 4.340 -0.002 0.000 0.237 487 R C 2.327 178.713 176.300 0.143 0.000 1.137 487 R CA 1.883 58.074 56.100 0.153 0.000 0.951 487 R CB -0.802 29.568 30.300 0.117 0.000 0.851 487 R HN 0.324 nan 8.270 nan 0.000 0.434 488 Y N 1.116 121.453 120.300 0.061 0.000 2.053 488 Y HA -0.268 4.281 4.550 -0.002 0.000 0.277 488 Y C 2.051 178.013 175.900 0.104 0.000 1.159 488 Y CA 1.856 59.991 58.100 0.059 0.000 1.125 488 Y CB -0.720 37.749 38.460 0.015 0.000 0.969 488 Y HN -0.138 nan 8.280 nan 0.000 0.492 489 V N 0.867 120.677 119.914 -0.174 0.000 2.287 489 V HA -0.370 3.750 4.120 -0.002 0.000 0.248 489 V C 2.753 178.851 176.094 0.007 0.000 1.053 489 V CA 2.030 64.213 62.300 -0.194 0.000 1.027 489 V CB -1.864 29.928 31.823 -0.052 0.000 0.646 489 V HN 0.600 nan 8.190 nan 0.000 0.447 490 A N 0.295 123.170 122.820 0.091 0.000 1.851 490 A HA -0.242 4.077 4.320 -0.002 0.000 0.216 490 A C 1.725 179.368 177.584 0.098 0.000 1.195 490 A CA 1.991 54.135 52.037 0.179 0.000 0.622 490 A CB -0.742 18.330 19.000 0.120 0.000 0.831 490 A HN 0.571 nan 8.150 nan 0.000 0.444 491 D N 0.082 120.499 120.400 0.028 0.000 2.355 491 D HA 0.012 4.651 4.640 -0.002 0.000 0.253 491 D C 1.290 177.571 176.300 -0.033 0.000 1.187 491 D CA 1.026 55.029 54.000 0.006 0.000 0.900 491 D CB -0.115 40.704 40.800 0.032 0.000 0.915 491 D HN 0.573 nan 8.370 nan 0.000 0.516 492 S N -1.411 114.256 115.700 -0.055 0.000 2.632 492 S HA -0.012 4.457 4.470 -0.002 0.000 0.237 492 S C 0.702 175.303 174.600 0.002 0.000 1.037 492 S CA -0.595 57.562 58.200 -0.071 0.000 1.009 492 S CB 0.401 63.442 63.200 -0.265 0.000 0.974 492 S HN -0.054 nan 8.310 nan 0.000 0.544 493 N N 2.376 121.061 118.700 -0.025 0.000 2.411 493 N HA 0.041 4.780 4.740 -0.002 0.000 0.261 493 N C 0.037 175.469 175.510 -0.130 0.000 1.248 493 N CA 0.807 53.745 53.050 -0.186 0.000 0.885 493 N CB 0.231 38.363 38.487 -0.591 0.000 1.062 493 N HN 0.313 nan 8.380 nan 0.000 0.471 494 Q N 0.672 120.416 119.800 -0.094 0.000 2.407 494 Q HA -0.197 4.142 4.340 -0.002 0.000 0.277 494 Q C 0.144 176.123 176.000 -0.034 0.000 1.161 494 Q CA 1.375 57.143 55.803 -0.058 0.000 0.924 494 Q CB -1.661 27.029 28.738 -0.081 0.000 1.318 494 Q HN 0.641 nan 8.270 nan 0.000 0.513 495 T N -0.724 113.820 114.554 -0.017 0.000 3.105 495 T HA 0.081 4.430 4.350 -0.002 0.000 0.253 495 T C -0.312 174.398 174.700 0.017 0.000 1.047 495 T CA 0.289 62.389 62.100 -0.001 0.000 0.944 495 T CB 0.163 69.034 68.868 0.005 0.000 1.016 495 T HN 0.443 nan 8.240 nan 0.000 0.544 496 D N 1.440 121.850 120.400 0.016 0.000 4.248 496 D HA -0.156 4.483 4.640 -0.002 0.000 0.248 496 D C -0.566 175.755 176.300 0.036 0.000 1.056 496 D CA 0.080 54.092 54.000 0.020 0.000 1.191 496 D CB -1.178 39.632 40.800 0.018 0.000 0.870 496 D HN 0.173 nan 8.370 nan 0.000 0.410 497 V N 4.942 124.876 119.914 0.033 0.000 2.509 497 V HA 0.380 4.499 4.120 -0.002 0.000 0.284 497 V C -1.212 174.881 176.094 -0.002 0.000 1.047 497 V CA -1.002 61.323 62.300 0.041 0.000 0.952 497 V CB 1.517 33.362 31.823 0.037 0.000 0.988 497 V HN 0.345 nan 8.190 nan 0.000 0.469 498 P HA 0.234 nan 4.420 nan 0.000 0.237 498 P C -0.642 176.604 177.300 -0.090 0.000 1.723 498 P CA 0.188 63.281 63.100 -0.013 0.000 0.882 498 P CB -0.189 31.536 31.700 0.042 0.000 1.810 499 C N 1.959 121.174 119.300 -0.141 0.000 2.947 499 C HA 0.280 4.739 4.460 -0.002 0.000 0.401 499 C C -0.090 174.836 174.990 -0.107 0.000 1.019 499 C CA -0.733 58.175 59.018 -0.183 0.000 1.230 499 C CB 0.664 28.121 27.740 -0.472 0.000 1.644 499 C HN 0.435 nan 8.230 nan 0.000 0.523 500 N N 4.978 123.643 118.700 -0.057 0.000 2.376 500 N HA 0.140 4.879 4.740 -0.002 0.000 0.249 500 N C 0.330 175.834 175.510 -0.009 0.000 1.140 500 N CA -0.167 52.867 53.050 -0.027 0.000 0.870 500 N CB 0.088 38.563 38.487 -0.020 0.000 1.124 500 N HN 0.819 nan 8.380 nan 0.000 0.505 501 L N -0.551 120.666 121.223 -0.010 0.000 2.609 501 L HA 0.308 4.647 4.340 -0.002 0.000 0.230 501 L C 0.803 177.696 176.870 0.037 0.000 1.064 501 L CA -0.038 54.814 54.840 0.021 0.000 0.873 501 L CB 0.255 42.335 42.059 0.036 0.000 1.139 501 L HN 0.335 nan 8.230 nan 0.000 0.490 502 C N -3.455 115.866 119.300 0.035 0.000 3.028 502 C HA 0.867 5.326 4.460 -0.002 0.000 0.338 502 C C 0.205 175.236 174.990 0.070 0.000 1.366 502 C CA -0.596 58.462 59.018 0.067 0.000 1.610 502 C CB 1.757 29.568 27.740 0.118 0.000 2.063 502 C HN 0.101 nan 8.230 nan 0.000 0.463 503 T N -1.857 112.756 114.554 0.097 0.000 2.812 503 T HA 0.429 4.778 4.350 -0.002 0.000 0.294 503 T C 0.169 174.966 174.700 0.162 0.000 1.159 503 T CA -0.237 61.938 62.100 0.124 0.000 1.008 503 T CB 1.124 70.061 68.868 0.115 0.000 1.289 503 T HN 0.785 nan 8.240 nan 0.000 0.514 504 F N 1.686 121.666 119.950 0.049 0.000 2.087 504 F HA -0.090 4.436 4.527 -0.001 0.000 0.299 504 F C 1.641 177.489 175.800 0.079 0.000 1.100 504 F CA 2.343 60.370 58.000 0.045 0.000 1.226 504 F CB -0.288 38.721 39.000 0.016 0.000 0.983 504 F HN 0.668 nan 8.300 nan 0.000 0.479 505 D N -1.317 119.097 120.400 0.024 0.000 2.378 505 D HA -0.029 4.610 4.640 -0.002 0.000 0.227 505 D C 1.722 178.080 176.300 0.096 0.000 1.012 505 D CA 1.423 55.407 54.000 -0.027 0.000 0.905 505 D CB -0.058 40.784 40.800 0.070 0.000 0.895 505 D HN 0.478 nan 8.370 nan 0.000 0.532 506 T N -4.155 110.468 114.554 0.116 0.000 3.016 506 T HA 0.148 4.497 4.350 -0.002 0.000 0.271 506 T C 1.713 176.447 174.700 0.056 0.000 0.968 506 T CA -0.528 61.646 62.100 0.122 0.000 0.891 506 T CB 0.323 69.229 68.868 0.064 0.000 1.149 506 T HN -0.145 nan 8.240 nan 0.000 0.524 507 R N 2.088 122.661 120.500 0.122 0.000 2.133 507 R HA -0.188 4.151 4.340 -0.002 0.000 0.247 507 R C 2.350 178.711 176.300 0.102 0.000 1.151 507 R CA 2.106 58.299 56.100 0.155 0.000 0.971 507 R CB -0.947 29.436 30.300 0.139 0.000 0.866 507 R HN 0.782 nan 8.270 nan 0.000 0.447 508 H N -0.686 118.379 119.070 -0.007 0.000 2.422 508 H HA -0.005 4.550 4.556 -0.002 0.000 0.298 508 H C 1.323 176.638 175.328 -0.020 0.000 1.098 508 H CA 1.655 57.696 56.048 -0.012 0.000 1.315 508 H CB -0.219 29.532 29.762 -0.019 0.000 1.382 508 H HN 0.215 nan 8.280 nan 0.000 0.523 509 A N 0.620 123.116 122.820 -0.540 0.000 2.343 509 A HA 0.185 4.505 4.320 -0.002 0.000 0.223 509 A C 1.050 178.565 177.584 -0.115 0.000 1.214 509 A CA 0.121 51.968 52.037 -0.318 0.000 0.900 509 A CB -0.484 18.285 19.000 -0.385 0.000 0.942 509 A HN 0.490 nan 8.150 nan 0.000 0.507 510 C N 0.301 119.571 119.300 -0.049 0.000 2.657 510 C HA 0.269 4.728 4.460 -0.002 0.000 0.420 510 C C 2.197 177.235 174.990 0.080 0.000 1.323 510 C CA 0.184 59.248 59.018 0.076 0.000 1.894 510 C CB -0.386 27.500 27.740 0.243 0.000 2.681 510 C HN 0.495 nan 8.230 nan 0.000 0.613 511 V N 5.923 125.904 119.914 0.111 0.000 2.222 511 V HA -0.292 3.827 4.120 -0.002 0.000 0.252 511 V C 2.685 178.843 176.094 0.107 0.000 1.060 511 V CA 2.742 65.104 62.300 0.104 0.000 1.027 511 V CB -1.244 30.644 31.823 0.109 0.000 0.644 511 V HN 1.038 nan 8.190 nan 0.000 0.448 512 H N 0.491 119.601 119.070 0.066 0.000 2.400 512 H HA -0.235 4.320 4.556 -0.001 0.000 0.295 512 H C 1.999 177.362 175.328 0.059 0.000 1.118 512 H CA 2.536 58.629 56.048 0.074 0.000 1.256 512 H CB -0.960 28.852 29.762 0.083 0.000 1.365 512 H HN 0.469 nan 8.280 nan 0.000 0.502 513 T N 0.527 114.671 114.554 -0.684 0.000 2.770 513 T HA -0.094 4.255 4.350 -0.002 0.000 0.263 513 T C 2.096 176.658 174.700 -0.230 0.000 1.039 513 T CA 1.985 63.752 62.100 -0.554 0.000 1.142 513 T CB -0.557 68.135 68.868 -0.293 0.000 0.868 513 T HN 0.485 nan 8.240 nan 0.000 0.435 514 T N 2.584 117.075 114.554 -0.104 0.000 2.684 514 T HA 0.002 4.351 4.350 -0.002 0.000 0.267 514 T C 1.947 176.676 174.700 0.048 0.000 1.036 514 T CA 0.939 63.025 62.100 -0.022 0.000 1.148 514 T CB -0.475 68.413 68.868 0.033 0.000 0.863 514 T HN 0.226 nan 8.240 nan 0.000 0.436 515 L N 0.038 121.321 121.223 0.099 0.000 2.141 515 L HA -0.043 4.296 4.340 -0.002 0.000 0.209 515 L C 2.666 179.654 176.870 0.196 0.000 1.094 515 L CA 1.090 56.087 54.840 0.262 0.000 0.763 515 L CB -0.482 41.738 42.059 0.268 0.000 0.908 515 L HN 0.346 nan 8.230 nan 0.000 0.437 516 M N -0.805 118.787 119.600 -0.015 0.000 2.117 516 M HA -0.243 4.236 4.480 -0.002 0.000 0.262 516 M C 2.457 178.658 176.300 -0.166 0.000 1.065 516 M CA 1.637 56.851 55.300 -0.144 0.000 1.114 516 M CB -0.378 32.017 32.600 -0.342 0.000 1.361 516 M HN 0.159 nan 8.290 nan 0.000 0.408 517 R N 0.732 121.146 120.500 -0.143 0.000 2.152 517 R HA -0.105 4.234 4.340 -0.002 0.000 0.232 517 R C 1.261 177.500 176.300 -0.103 0.000 1.117 517 R CA 1.085 57.105 56.100 -0.133 0.000 0.981 517 R CB -0.069 30.159 30.300 -0.120 0.000 0.870 517 R HN 0.382 nan 8.270 nan 0.000 0.451 518 L N 0.472 121.674 121.223 -0.035 0.000 2.700 518 L HA 0.177 4.516 4.340 -0.002 0.000 0.234 518 L C 1.769 178.530 176.870 -0.181 0.000 1.156 518 L CA -0.379 54.428 54.840 -0.054 0.000 0.946 518 L CB 0.186 42.326 42.059 0.135 0.000 1.216 518 L HN 0.025 nan 8.230 nan 0.000 0.493 519 R N 2.136 122.434 120.500 -0.335 0.000 2.134 519 R HA -0.231 4.108 4.340 -0.002 0.000 0.248 519 R C 2.117 178.031 176.300 -0.643 0.000 1.143 519 R CA 2.211 57.818 56.100 -0.822 0.000 0.957 519 R CB -0.684 29.318 30.300 -0.497 0.000 0.867 519 R HN 0.335 nan 8.270 nan 0.000 0.441 520 A N 0.498 123.089 122.820 -0.382 0.000 1.978 520 A HA -0.126 4.193 4.320 -0.002 0.000 0.220 520 A C 2.094 179.479 177.584 -0.331 0.000 1.170 520 A CA 1.584 53.441 52.037 -0.300 0.000 0.636 520 A CB -0.429 18.434 19.000 -0.229 0.000 0.810 520 A HN 0.361 nan 8.150 nan 0.000 0.448 521 R N -0.604 119.620 120.500 -0.460 0.000 2.275 521 R HA 0.030 4.369 4.340 -0.002 0.000 0.199 521 R C -0.218 175.731 176.300 -0.585 0.000 0.989 521 R CA -0.042 55.647 56.100 -0.685 0.000 1.016 521 R CB -0.341 29.152 30.300 -1.346 0.000 0.918 521 R HN 0.723 nan 8.270 nan 0.000 0.473 522 H N 2.504 121.277 119.070 -0.496 0.000 3.115 522 H HA -0.021 4.534 4.556 -0.002 0.000 0.324 522 H C -1.892 173.197 175.328 -0.397 0.000 1.007 522 H CA -1.112 54.741 56.048 -0.325 0.000 1.385 522 H CB 0.253 29.943 29.762 -0.119 0.000 1.351 522 H HN 0.062 nan 8.280 nan 0.000 0.592 523 P HA 0.037 nan 4.420 nan 0.000 0.276 523 P C -0.742 176.010 177.300 -0.912 0.000 1.253 523 P CA -0.186 62.455 63.100 -0.765 0.000 0.766 523 P CB 0.739 31.804 31.700 -1.059 0.000 0.845 524 K N 4.100 124.046 120.400 -0.757 0.000 2.464 524 K HA 0.332 4.651 4.320 -0.002 0.000 0.252 524 K C -0.439 175.795 176.600 -0.609 0.000 1.000 524 K CA -0.696 55.250 56.287 -0.568 0.000 0.951 524 K CB 0.293 32.619 32.500 -0.290 0.000 1.183 524 K HN 0.326 nan 8.250 nan 0.000 0.445 525 F N 1.333 121.101 119.950 -0.304 0.000 2.466 525 F HA 0.188 4.714 4.527 -0.002 0.000 0.363 525 F C 1.276 176.963 175.800 -0.188 0.000 1.109 525 F CA -0.359 57.453 58.000 -0.314 0.000 1.161 525 F CB 0.738 39.379 39.000 -0.598 0.000 1.117 525 F HN 0.579 nan 8.300 nan 0.000 0.539 526 A N 1.587 124.411 122.820 0.007 0.000 2.551 526 A HA 0.305 4.624 4.320 -0.002 0.000 0.252 526 A C 0.542 178.144 177.584 0.030 0.000 1.199 526 A CA -0.101 51.943 52.037 0.011 0.000 0.972 526 A CB 0.052 19.033 19.000 -0.032 0.000 1.153 526 A HN 0.464 nan 8.150 nan 0.000 0.559 527 S N 0.015 115.743 115.700 0.047 0.000 2.508 527 S HA 0.560 5.029 4.470 -0.002 0.000 0.284 527 S C 1.042 175.688 174.600 0.077 0.000 1.192 527 S CA 0.140 58.367 58.200 0.044 0.000 1.070 527 S CB 1.682 64.900 63.200 0.030 0.000 1.004 527 S HN 0.602 nan 8.310 nan 0.000 0.493 528 A N 2.105 124.971 122.820 0.077 0.000 2.140 528 A HA 0.631 4.950 4.320 -0.002 0.000 0.209 528 A C 1.057 178.727 177.584 0.142 0.000 1.181 528 A CA 0.276 52.385 52.037 0.120 0.000 0.824 528 A CB -0.216 18.850 19.000 0.109 0.000 0.879 528 A HN 0.847 nan 8.150 nan 0.000 0.480 529 A N 0.238 123.092 122.820 0.056 0.000 2.332 529 A HA 0.500 4.819 4.320 -0.002 0.000 0.258 529 A C 0.623 178.099 177.584 -0.179 0.000 1.087 529 A CA -0.474 51.539 52.037 -0.040 0.000 0.802 529 A CB -0.018 18.939 19.000 -0.072 0.000 1.042 529 A HN 0.533 nan 8.150 nan 0.000 0.489 530 R N 0.654 120.785 120.500 -0.616 0.000 2.484 530 R HA 0.333 4.673 4.340 -0.002 0.000 0.293 530 R C 0.391 176.480 176.300 -0.351 0.000 1.023 530 R CA 0.840 56.387 56.100 -0.922 0.000 1.037 530 R CB 0.020 29.356 30.300 -1.607 0.000 0.951 530 R HN 0.820 nan 8.270 nan 0.000 0.418 531 G N 1.973 110.679 108.800 -0.157 0.000 3.013 531 G HA2 0.632 4.591 3.960 -0.002 0.000 0.278 531 G HA3 0.632 4.591 3.960 -0.002 0.000 0.278 531 G C -1.206 173.685 174.900 -0.015 0.000 1.353 531 G CA -0.519 44.543 45.100 -0.062 0.000 1.043 531 G HN 0.838 nan 8.290 nan 0.000 0.523 532 A N -1.037 121.791 122.820 0.013 0.000 2.272 532 A HA 0.693 5.012 4.320 -0.002 0.000 0.275 532 A C -0.068 177.546 177.584 0.049 0.000 1.096 532 A CA -0.383 51.674 52.037 0.034 0.000 0.822 532 A CB 0.191 19.221 19.000 0.051 0.000 1.088 532 A HN 0.558 nan 8.150 nan 0.000 0.495 533 I N 0.488 121.087 120.570 0.048 0.000 2.392 533 I HA 0.420 4.589 4.170 -0.002 0.000 0.295 533 I C 0.869 177.010 176.117 0.040 0.000 0.985 533 I CA -0.422 60.907 61.300 0.049 0.000 1.221 533 I CB 1.741 39.769 38.000 0.047 0.000 1.366 533 I HN 0.657 nan 8.210 nan 0.000 0.467 534 G N 6.167 114.990 108.800 0.039 0.000 2.546 534 G HA2 0.474 4.433 3.960 -0.002 0.000 0.320 534 G HA3 0.474 4.433 3.960 -0.002 0.000 0.320 534 G C -0.132 174.778 174.900 0.017 0.000 0.984 534 G CA -0.310 44.807 45.100 0.029 0.000 1.183 534 G HN 0.505 nan 8.290 nan 0.000 0.443 535 V N 1.190 121.108 119.914 0.007 0.000 2.716 535 V HA 0.822 4.941 4.120 -0.002 0.000 0.304 535 V C -0.710 175.404 176.094 0.034 0.000 1.053 535 V CA -1.507 60.802 62.300 0.015 0.000 0.984 535 V CB 1.687 33.510 31.823 -0.000 0.000 1.021 535 V HN 0.418 nan 8.190 nan 0.000 0.467 536 F N 2.905 122.796 119.950 -0.098 0.000 2.427 536 F HA 0.919 5.445 4.527 -0.002 0.000 0.348 536 F C 0.234 175.970 175.800 -0.108 0.000 1.125 536 F CA 0.060 57.996 58.000 -0.107 0.000 0.989 536 F CB 1.094 40.023 39.000 -0.119 0.000 1.165 536 F HN 1.037 nan 8.300 nan 0.000 0.442 537 G N 2.210 110.831 108.800 -0.297 0.000 2.827 537 G HA2 0.551 4.510 3.960 -0.002 0.000 0.296 537 G HA3 0.551 4.510 3.960 -0.002 0.000 0.296 537 G C -1.547 173.169 174.900 -0.308 0.000 1.362 537 G CA -0.605 44.405 45.100 -0.151 0.000 0.809 537 G HN 0.695 nan 8.290 nan 0.000 0.522 538 T N -1.269 113.187 114.554 -0.164 0.000 2.937 538 T HA 0.474 4.823 4.350 -0.002 0.000 0.297 538 T C -0.444 174.188 174.700 -0.113 0.000 0.991 538 T CA -0.536 61.470 62.100 -0.156 0.000 0.990 538 T CB 1.241 70.057 68.868 -0.086 0.000 0.991 538 T HN 0.981 nan 8.240 nan 0.000 0.440 539 M N 4.750 124.281 119.600 -0.115 0.000 2.201 539 M HA 0.473 4.952 4.480 -0.002 0.000 0.345 539 M C 0.199 176.464 176.300 -0.058 0.000 1.352 539 M CA 0.107 55.358 55.300 -0.081 0.000 1.218 539 M CB -0.168 32.383 32.600 -0.082 0.000 1.512 539 M HN 0.608 nan 8.290 nan 0.000 0.447 540 N N 1.876 120.549 118.700 -0.045 0.000 2.236 540 N HA 0.148 4.887 4.740 -0.002 0.000 0.196 540 N C -0.357 175.130 175.510 -0.039 0.000 1.114 540 N CA 0.006 53.035 53.050 -0.035 0.000 0.859 540 N CB 0.510 38.985 38.487 -0.020 0.000 0.982 540 N HN 0.714 nan 8.380 nan 0.000 0.493 541 S N 0.060 115.738 115.700 -0.036 0.000 2.564 541 S HA 0.103 4.572 4.470 -0.002 0.000 0.278 541 S C 1.381 175.906 174.600 -0.126 0.000 1.333 541 S CA -0.430 57.739 58.200 -0.051 0.000 1.048 541 S CB 0.346 63.550 63.200 0.005 0.000 0.900 541 S HN 0.145 nan 8.310 nan 0.000 0.505 542 M N 3.315 122.745 119.600 -0.284 0.000 2.630 542 M HA 0.117 4.596 4.480 -0.002 0.000 0.254 542 M C -0.907 175.022 176.300 -0.619 0.000 1.092 542 M CA 0.807 55.804 55.300 -0.505 0.000 1.087 542 M CB -1.045 31.090 32.600 -0.776 0.000 1.453 542 M HN 0.569 nan 8.290 nan 0.000 0.509 543 Y N -0.584 119.725 120.300 0.015 0.000 2.425 543 Y HA 0.524 5.073 4.550 -0.002 0.000 0.344 543 Y C 0.315 176.231 175.900 0.027 0.000 0.969 543 Y CA -1.788 56.323 58.100 0.018 0.000 1.052 543 Y CB 1.553 40.022 38.460 0.015 0.000 1.215 543 Y HN 0.033 nan 8.280 nan 0.000 0.451 544 S N 0.383 116.205 115.700 0.202 0.000 2.579 544 S HA 0.564 5.033 4.470 -0.002 0.000 0.272 544 S C -1.565 173.126 174.600 0.151 0.000 1.141 544 S CA -1.033 57.257 58.200 0.150 0.000 0.843 544 S CB 2.233 65.502 63.200 0.116 0.000 1.122 544 S HN 0.489 nan 8.310 nan 0.000 0.468 545 D N 1.327 121.827 120.400 0.167 0.000 2.863 545 D HA 0.322 4.961 4.640 -0.002 0.000 0.323 545 D C -0.534 175.917 176.300 0.253 0.000 1.286 545 D CA -0.168 53.940 54.000 0.179 0.000 0.921 545 D CB 0.238 41.137 40.800 0.164 0.000 1.024 545 D HN 0.536 nan 8.370 nan 0.000 0.505 546 C N 0.931 120.369 119.300 0.231 0.000 2.469 546 C HA 0.185 4.644 4.460 -0.002 0.000 0.298 546 C C 0.698 175.827 174.990 0.231 0.000 1.436 546 C CA -0.895 58.284 59.018 0.268 0.000 1.783 546 C CB -0.618 27.244 27.740 0.202 0.000 2.726 546 C HN 0.287 nan 8.230 nan 0.000 0.541 547 D N 0.390 120.943 120.400 0.255 0.000 2.358 547 D HA 0.105 4.744 4.640 -0.002 0.000 0.244 547 D C 1.407 177.932 176.300 0.374 0.000 1.163 547 D CA -0.069 54.060 54.000 0.215 0.000 0.945 547 D CB 1.309 42.133 40.800 0.040 0.000 1.152 547 D HN -0.036 nan 8.370 nan 0.000 0.451 548 V N 0.937 121.062 119.914 0.351 0.000 2.363 548 V HA -0.232 3.887 4.120 -0.002 0.000 0.254 548 V C 1.790 178.103 176.094 0.366 0.000 1.074 548 V CA 1.562 64.067 62.300 0.342 0.000 1.069 548 V CB -0.322 31.691 31.823 0.316 0.000 0.659 548 V HN 0.438 nan 8.190 nan 0.000 0.455 549 L N -0.610 120.820 121.223 0.346 0.000 3.017 549 L HA 0.439 4.778 4.340 -0.002 0.000 0.255 549 L C 1.409 178.320 176.870 0.068 0.000 1.247 549 L CA 0.208 55.061 54.840 0.022 0.000 1.038 549 L CB -0.335 41.476 42.059 -0.413 0.000 1.380 549 L HN 0.469 nan 8.230 nan 0.000 0.548 550 G N 2.227 111.107 108.800 0.134 0.000 2.652 550 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.318 550 G HA3 -0.400 3.559 3.960 -0.002 0.000 0.318 550 G C 0.295 175.353 174.900 0.264 0.000 1.295 550 G CA 0.488 45.646 45.100 0.097 0.000 0.999 550 G HN 0.650 nan 8.290 nan 0.000 0.548 551 N N 0.416 119.217 118.700 0.168 0.000 2.767 551 N HA 0.325 5.064 4.740 -0.002 0.000 0.238 551 N C -0.067 175.573 175.510 0.216 0.000 1.083 551 N CA -0.499 52.666 53.050 0.191 0.000 0.964 551 N CB 0.814 39.369 38.487 0.114 0.000 1.252 551 N HN 0.642 nan 8.380 nan 0.000 0.512 552 Y N 1.522 121.907 120.300 0.141 0.000 2.532 552 Y HA 0.539 5.088 4.550 -0.002 0.000 0.283 552 Y C -0.082 175.841 175.900 0.038 0.000 1.181 552 Y CA -0.958 57.167 58.100 0.042 0.000 1.256 552 Y CB -0.083 38.282 38.460 -0.157 0.000 1.112 552 Y HN 0.634 nan 8.280 nan 0.000 0.521 574 T N -1.976 112.536 114.554 -0.070 0.000 2.912 574 T HA 0.479 4.828 4.350 -0.002 0.000 0.280 574 T C 0.913 175.630 174.700 0.029 0.000 0.989 574 T CA 0.164 62.224 62.100 -0.067 0.000 0.995 574 T CB 0.924 69.748 68.868 -0.074 0.000 1.077 574 T HN 1.236 nan 8.240 nan 0.000 0.531 575 Y N 1.041 121.305 120.300 -0.060 0.000 2.224 575 Y HA -0.034 4.515 4.550 -0.002 0.000 0.289 575 Y C 2.693 178.614 175.900 0.036 0.000 1.146 575 Y CA 1.418 59.535 58.100 0.027 0.000 1.182 575 Y CB -0.387 38.143 38.460 0.117 0.000 0.983 575 Y HN 0.743 nan 8.280 nan 0.000 0.524 576 R N 0.246 120.643 120.500 -0.171 0.000 2.073 576 R HA -0.126 4.213 4.340 -0.002 0.000 0.234 576 R C 2.479 178.689 176.300 -0.149 0.000 1.134 576 R CA 1.432 57.382 56.100 -0.250 0.000 0.952 576 R CB -0.611 29.618 30.300 -0.119 0.000 0.850 576 R HN 0.412 nan 8.270 nan 0.000 0.433 577 A N 0.828 123.602 122.820 -0.077 0.000 1.873 577 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 577 A C 2.400 179.965 177.584 -0.032 0.000 1.193 577 A CA 2.048 54.058 52.037 -0.044 0.000 0.629 577 A CB -1.176 17.805 19.000 -0.031 0.000 0.826 577 A HN 0.558 nan 8.150 nan 0.000 0.447 578 A N -0.363 122.452 122.820 -0.009 0.000 1.873 578 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 578 A C 2.504 180.092 177.584 0.007 0.000 1.193 578 A CA 3.202 55.255 52.037 0.028 0.000 0.629 578 A CB -1.715 17.346 19.000 0.102 0.000 0.826 578 A HN 0.988 nan 8.150 nan 0.000 0.447 579 T N -1.884 112.630 114.554 -0.066 0.000 2.803 579 T HA -0.170 4.179 4.350 -0.002 0.000 0.269 579 T C 1.533 176.212 174.700 -0.035 0.000 1.052 579 T CA 1.673 63.733 62.100 -0.066 0.000 1.136 579 T CB -0.477 68.268 68.868 -0.204 0.000 0.864 579 T HN 0.668 nan 8.240 nan 0.000 0.467 580 E N 1.098 121.272 120.200 -0.044 0.000 2.046 580 E HA -0.059 4.290 4.350 -0.002 0.000 0.190 580 E C 2.688 179.286 176.600 -0.003 0.000 0.982 580 E CA 0.858 57.246 56.400 -0.020 0.000 0.800 580 E CB -0.123 29.565 29.700 -0.019 0.000 0.756 580 E HN 0.559 nan 8.360 nan 0.000 0.449 581 R N 0.646 121.147 120.500 0.001 0.000 2.081 581 R HA -0.096 4.243 4.340 -0.002 0.000 0.235 581 R C 2.491 178.803 176.300 0.019 0.000 1.131 581 R CA 1.049 57.155 56.100 0.009 0.000 0.960 581 R CB -0.493 29.815 30.300 0.013 0.000 0.856 581 R HN 0.022 nan 8.270 nan 0.000 0.436 582 V N 1.156 121.090 119.914 0.033 0.000 2.295 582 V HA -0.269 3.850 4.120 -0.002 0.000 0.246 582 V C 2.375 178.495 176.094 0.043 0.000 1.049 582 V CA 1.610 63.941 62.300 0.052 0.000 1.024 582 V CB -0.330 31.540 31.823 0.079 0.000 0.648 582 V HN 0.299 nan 8.190 nan 0.000 0.447 583 M N -0.489 119.130 119.600 0.032 0.000 2.213 583 M HA -0.104 4.375 4.480 -0.002 0.000 0.263 583 M C 2.327 178.635 176.300 0.014 0.000 1.062 583 M CA 2.000 57.316 55.300 0.027 0.000 1.105 583 M CB -1.506 31.104 32.600 0.017 0.000 1.385 583 M HN 0.420 nan 8.290 nan 0.000 0.417 584 A N -0.058 122.767 122.820 0.007 0.000 1.845 584 A HA -0.145 4.174 4.320 -0.002 0.000 0.215 584 A C 2.152 179.728 177.584 -0.013 0.000 1.195 584 A CA 1.443 53.478 52.037 -0.003 0.000 0.616 584 A CB -0.605 18.393 19.000 -0.004 0.000 0.832 584 A HN 0.342 nan 8.150 nan 0.000 0.443 585 E N 0.155 120.350 120.200 -0.008 0.000 2.049 585 E HA -0.201 4.148 4.350 -0.002 0.000 0.198 585 E C 2.064 178.632 176.600 -0.054 0.000 1.007 585 E CA 1.328 57.714 56.400 -0.023 0.000 0.809 585 E CB -0.537 29.164 29.700 0.002 0.000 0.749 585 E HN 0.650 nan 8.360 nan 0.000 0.450 586 L N 0.345 121.557 121.223 -0.018 0.000 2.079 586 L HA -0.189 4.150 4.340 -0.002 0.000 0.210 586 L C 2.576 179.407 176.870 -0.064 0.000 1.081 586 L CA 1.284 56.110 54.840 -0.023 0.000 0.752 586 L CB -0.390 41.712 42.059 0.071 0.000 0.896 586 L HN 0.186 nan 8.230 nan 0.000 0.433 587 E N -0.333 119.847 120.200 -0.033 0.000 2.106 587 E HA -0.182 4.167 4.350 -0.002 0.000 0.192 587 E C 2.011 178.568 176.600 -0.071 0.000 0.984 587 E CA 1.530 57.912 56.400 -0.030 0.000 0.806 587 E CB 0.159 29.852 29.700 -0.012 0.000 0.750 587 E HN 0.341 nan 8.360 nan 0.000 0.458 588 T N 1.485 115.985 114.554 -0.089 0.000 2.652 588 T HA -0.144 4.205 4.350 -0.002 0.000 0.267 588 T C 1.572 176.167 174.700 -0.175 0.000 1.039 588 T CA 0.934 62.971 62.100 -0.104 0.000 1.153 588 T CB -0.141 68.673 68.868 -0.089 0.000 0.863 588 T HN 0.137 nan 8.240 nan 0.000 0.428 589 L N 0.983 122.020 121.223 -0.310 0.000 2.447 589 L HA -0.027 4.312 4.340 -0.002 0.000 0.225 589 L C 1.144 177.704 176.870 -0.516 0.000 1.148 589 L CA 1.475 55.960 54.840 -0.592 0.000 0.808 589 L CB -1.564 39.750 42.059 -1.241 0.000 0.928 589 L HN 0.579 nan 8.230 nan 0.000 0.448 590 Q N -2.386 117.265 119.800 -0.248 0.000 2.493 590 Q HA -0.265 4.074 4.340 -0.002 0.000 0.278 590 Q C 0.260 176.352 176.000 0.153 0.000 1.216 590 Q CA 0.401 56.181 55.803 -0.038 0.000 0.875 590 Q CB -1.587 27.148 28.738 -0.003 0.000 1.262 590 Q HN 0.394 nan 8.270 nan 0.000 0.468 591 Y N -1.935 118.372 120.300 0.012 0.000 2.478 591 Y HA 0.325 4.873 4.550 -0.003 0.000 0.261 591 Y C 0.962 176.880 175.900 0.031 0.000 1.127 591 Y CA 0.145 58.256 58.100 0.018 0.000 1.288 591 Y CB 1.094 39.562 38.460 0.014 0.000 1.084 591 Y HN 0.020 nan 8.280 nan 0.000 0.530 592 V N -0.342 119.674 119.914 0.171 0.000 3.206 592 V HA 0.320 4.439 4.120 -0.002 0.000 0.305 592 V C -1.300 174.832 176.094 0.062 0.000 1.257 592 V CA -1.225 61.137 62.300 0.104 0.000 1.057 592 V CB 2.964 34.840 31.823 0.088 0.000 1.075 592 V HN -0.140 nan 8.190 nan 0.000 0.443 593 D N 0.727 121.154 120.400 0.046 0.000 2.440 593 D HA 0.314 4.953 4.640 -0.002 0.000 0.252 593 D C 0.801 177.115 176.300 0.023 0.000 1.180 593 D CA -0.310 53.709 54.000 0.031 0.000 0.894 593 D CB 1.866 42.684 40.800 0.030 0.000 1.111 593 D HN 0.570 nan 8.370 nan 0.000 0.544 594 Q N 1.912 121.723 119.800 0.018 0.000 2.268 594 Q HA -0.217 4.122 4.340 -0.002 0.000 0.210 594 Q C 1.425 177.433 176.000 0.013 0.000 0.988 594 Q CA 1.740 57.552 55.803 0.014 0.000 0.883 594 Q CB 0.129 28.873 28.738 0.010 0.000 0.911 594 Q HN 0.543 nan 8.270 nan 0.000 0.430 595 A N 0.139 122.967 122.820 0.013 0.000 2.095 595 A HA 0.109 4.428 4.320 -0.002 0.000 0.212 595 A C 0.977 178.572 177.584 0.020 0.000 1.162 595 A CA 0.270 52.316 52.037 0.014 0.000 0.753 595 A CB 0.810 19.815 19.000 0.009 0.000 0.840 595 A HN 0.122 nan 8.150 nan 0.000 0.468 596 V N 1.368 121.294 119.914 0.020 0.000 2.315 596 V HA 0.197 4.316 4.120 -0.002 0.000 0.265 596 V C -1.771 174.332 176.094 0.015 0.000 1.019 596 V CA -0.959 61.354 62.300 0.022 0.000 0.824 596 V CB 1.024 32.863 31.823 0.026 0.000 1.072 596 V HN 0.267 nan 8.190 nan 0.000 0.448 597 P HA -0.232 nan 4.420 nan 0.000 0.217 597 P C 1.477 178.762 177.300 -0.024 0.000 1.148 597 P CA 1.523 64.614 63.100 -0.016 0.000 0.834 597 P CB 0.359 32.040 31.700 -0.031 0.000 0.783 598 T N -1.458 113.090 114.554 -0.010 0.000 3.113 598 T HA 0.170 4.519 4.350 -0.002 0.000 0.263 598 T C 0.863 175.572 174.700 0.015 0.000 1.143 598 T CA 0.261 62.357 62.100 -0.007 0.000 1.090 598 T CB -0.726 68.145 68.868 0.005 0.000 0.922 598 T HN 0.116 nan 8.240 nan 0.000 0.521 599 A N 1.251 124.087 122.820 0.026 0.000 2.401 599 A HA 0.516 4.835 4.320 -0.002 0.000 0.259 599 A C 1.327 178.951 177.584 0.067 0.000 1.103 599 A CA -0.450 51.614 52.037 0.044 0.000 0.789 599 A CB 0.228 19.253 19.000 0.042 0.000 1.035 599 A HN 0.307 nan 8.150 nan 0.000 0.491 600 M N 2.054 121.705 119.600 0.085 0.000 2.492 600 M HA 0.036 4.515 4.480 -0.002 0.000 0.262 600 M C 1.511 177.889 176.300 0.130 0.000 1.090 600 M CA 0.977 56.354 55.300 0.129 0.000 1.110 600 M CB -1.296 31.389 32.600 0.141 0.000 1.407 600 M HN 1.228 nan 8.290 nan 0.000 0.470 601 G N 3.061 111.920 108.800 0.100 0.000 2.101 601 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.247 601 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.247 601 G C 0.553 175.521 174.900 0.115 0.000 0.740 601 G CA 0.560 45.717 45.100 0.096 0.000 1.130 601 G HN 0.508 nan 8.290 nan 0.000 0.342 602 R N -1.246 119.315 120.500 0.101 0.000 3.953 602 R HA -0.235 4.104 4.340 -0.002 0.000 0.448 602 R C 2.009 178.375 176.300 0.111 0.000 1.016 602 R CA 1.725 57.885 56.100 0.100 0.000 1.398 602 R CB -1.861 28.495 30.300 0.094 0.000 2.021 602 R HN 0.616 nan 8.270 nan 0.000 0.538 603 L N 1.020 122.319 121.223 0.127 0.000 2.191 603 L HA -0.137 4.202 4.340 -0.002 0.000 0.212 603 L C 2.004 178.953 176.870 0.133 0.000 1.103 603 L CA 1.596 56.476 54.840 0.066 0.000 0.769 603 L CB -0.264 41.854 42.059 0.098 0.000 0.908 603 L HN 0.299 nan 8.230 nan 0.000 0.438 604 E N -0.952 119.403 120.200 0.258 0.000 2.338 604 E HA -0.132 4.217 4.350 -0.002 0.000 0.197 604 E C 1.763 178.465 176.600 0.171 0.000 1.007 604 E CA 1.290 57.882 56.400 0.320 0.000 0.849 604 E CB 0.094 29.904 29.700 0.183 0.000 0.774 604 E HN 0.475 nan 8.360 nan 0.000 0.506 605 T N 0.691 115.302 114.554 0.096 0.000 3.004 605 T HA 0.029 4.378 4.350 -0.002 0.000 0.243 605 T C 1.853 176.560 174.700 0.011 0.000 1.020 605 T CA 0.041 62.171 62.100 0.051 0.000 1.145 605 T CB 0.168 69.065 68.868 0.048 0.000 0.876 605 T HN 0.005 nan 8.240 nan 0.000 0.449 606 I N 1.808 122.376 120.570 -0.005 0.000 2.099 606 I HA -0.033 4.136 4.170 -0.002 0.000 0.239 606 I C 1.221 177.261 176.117 -0.128 0.000 1.066 606 I CA 1.310 62.585 61.300 -0.041 0.000 1.324 606 I CB -1.065 36.919 38.000 -0.026 0.000 1.037 606 I HN 0.225 nan 8.210 nan 0.000 0.401 607 I N 2.355 122.771 120.570 -0.257 0.000 2.357 607 I HA -0.026 4.143 4.170 -0.002 0.000 0.300 607 I C 1.072 177.089 176.117 -0.167 0.000 1.159 607 I CA 0.156 61.239 61.300 -0.361 0.000 1.339 607 I CB -0.056 37.423 38.000 -0.867 0.000 1.458 607 I HN 0.296 nan 8.210 nan 0.000 0.577 608 T N 0.333 114.821 114.554 -0.109 0.000 2.969 608 T HA 0.181 4.530 4.350 -0.002 0.000 0.258 608 T C 0.266 174.924 174.700 -0.071 0.000 0.962 608 T CA -0.390 61.681 62.100 -0.048 0.000 0.903 608 T CB -0.030 68.821 68.868 -0.029 0.000 1.177 608 T HN 0.568 nan 8.240 nan 0.000 0.511 609 N N 0.832 119.468 118.700 -0.107 0.000 2.357 609 N HA 0.480 5.219 4.740 -0.002 0.000 0.284 609 N C 0.316 175.731 175.510 -0.159 0.000 1.236 609 N CA -1.196 51.784 53.050 -0.118 0.000 0.774 609 N CB 1.337 39.769 38.487 -0.092 0.000 1.534 609 N HN -0.016 nan 8.380 nan 0.000 0.478 610 R N -0.585 119.805 120.500 -0.185 0.000 2.341 610 R HA 0.010 4.349 4.340 -0.002 0.000 0.213 610 R C 0.981 177.218 176.300 -0.105 0.000 1.082 610 R CA 1.181 57.149 56.100 -0.220 0.000 1.017 610 R CB -0.441 29.681 30.300 -0.297 0.000 0.860 610 R HN 0.822 nan 8.270 nan 0.000 0.473 611 E N 0.435 120.584 120.200 -0.086 0.000 2.230 611 E HA 0.007 4.356 4.350 -0.002 0.000 0.192 611 E C 1.684 178.232 176.600 -0.086 0.000 0.987 611 E CA 0.722 57.084 56.400 -0.063 0.000 0.841 611 E CB 0.004 29.644 29.700 -0.099 0.000 0.783 611 E HN 0.492 nan 8.360 nan 0.000 0.481 612 A N 1.647 124.392 122.820 -0.125 0.000 1.902 612 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 612 A C 2.169 179.630 177.584 -0.206 0.000 1.181 612 A CA 0.957 52.902 52.037 -0.153 0.000 0.623 612 A CB -0.710 18.184 19.000 -0.177 0.000 0.818 612 A HN 0.403 nan 8.150 nan 0.000 0.443 613 L N -1.175 119.901 121.223 -0.244 0.000 1.971 613 L HA -0.275 4.064 4.340 -0.002 0.000 0.215 613 L C 2.644 179.370 176.870 -0.241 0.000 1.072 613 L CA 2.146 56.818 54.840 -0.280 0.000 0.758 613 L CB -0.623 41.273 42.059 -0.272 0.000 0.889 613 L HN 0.516 nan 8.230 nan 0.000 0.433 614 H N -0.809 118.037 119.070 -0.372 0.000 2.267 614 H HA -0.260 4.295 4.556 -0.002 0.000 0.291 614 H C 2.328 177.485 175.328 -0.285 0.000 1.094 614 H CA 2.522 58.193 56.048 -0.628 0.000 1.227 614 H CB -0.612 28.756 29.762 -0.657 0.000 1.351 614 H HN 0.482 nan 8.280 nan 0.000 0.483 615 T N 0.178 114.696 114.554 -0.061 0.000 2.746 615 T HA -0.104 4.245 4.350 -0.002 0.000 0.267 615 T C 2.327 177.027 174.700 0.001 0.000 1.039 615 T CA 1.783 63.872 62.100 -0.018 0.000 1.142 615 T CB -0.620 68.241 68.868 -0.012 0.000 0.866 615 T HN 0.086 nan 8.240 nan 0.000 0.444 616 V N 1.388 121.233 119.914 -0.114 0.000 2.261 616 V HA -0.137 3.982 4.120 -0.002 0.000 0.246 616 V C 2.892 178.904 176.094 -0.138 0.000 1.047 616 V CA 1.927 64.080 62.300 -0.244 0.000 1.015 616 V CB -0.807 30.671 31.823 -0.576 0.000 0.642 616 V HN 0.437 nan 8.190 nan 0.000 0.446 617 V N 0.652 120.475 119.914 -0.152 0.000 2.287 617 V HA -0.327 3.792 4.120 -0.002 0.000 0.248 617 V C 2.069 178.119 176.094 -0.074 0.000 1.053 617 V CA 2.597 64.772 62.300 -0.208 0.000 1.027 617 V CB -1.143 30.539 31.823 -0.235 0.000 0.646 617 V HN 0.635 nan 8.190 nan 0.000 0.447 618 N N 0.305 119.055 118.700 0.082 0.000 2.223 618 N HA -0.157 4.582 4.740 -0.002 0.000 0.185 618 N C 1.690 177.276 175.510 0.126 0.000 1.016 618 N CA 1.172 54.303 53.050 0.134 0.000 0.863 618 N CB -0.172 38.405 38.487 0.150 0.000 0.983 618 N HN 0.517 nan 8.380 nan 0.000 0.429 619 N N 0.819 119.599 118.700 0.133 0.000 2.171 619 N HA -0.111 4.628 4.740 -0.002 0.000 0.184 619 N C 2.108 177.727 175.510 0.182 0.000 1.021 619 N CA 0.996 54.149 53.050 0.171 0.000 0.854 619 N CB -0.476 38.165 38.487 0.257 0.000 0.994 619 N HN 0.198 nan 8.380 nan 0.000 0.426 620 V N 0.844 120.870 119.914 0.187 0.000 2.307 620 V HA -0.126 3.993 4.120 -0.002 0.000 0.245 620 V C 2.481 178.715 176.094 0.234 0.000 1.045 620 V CA 1.587 64.006 62.300 0.198 0.000 1.024 620 V CB -0.464 31.458 31.823 0.166 0.000 0.651 620 V HN 0.141 nan 8.190 nan 0.000 0.449 621 R N -0.194 120.419 120.500 0.188 0.000 2.083 621 R HA -0.256 4.083 4.340 -0.002 0.000 0.237 621 R C 2.633 179.146 176.300 0.355 0.000 1.137 621 R CA 2.459 58.746 56.100 0.311 0.000 0.951 621 R CB -0.603 29.823 30.300 0.211 0.000 0.851 621 R HN 0.790 nan 8.270 nan 0.000 0.434 622 Q N 0.353 120.294 119.800 0.235 0.000 2.050 622 Q HA -0.144 4.195 4.340 -0.002 0.000 0.202 622 Q C 2.103 178.204 176.000 0.170 0.000 0.980 622 Q CA 2.415 58.331 55.803 0.190 0.000 0.840 622 Q CB -0.068 28.756 28.738 0.144 0.000 0.898 622 Q HN 0.432 nan 8.270 nan 0.000 0.424 623 V N -2.138 117.872 119.914 0.160 0.000 2.515 623 V HA -0.138 3.981 4.120 -0.002 0.000 0.250 623 V C 2.179 178.362 176.094 0.147 0.000 1.058 623 V CA 1.526 63.903 62.300 0.129 0.000 1.064 623 V CB -0.732 31.156 31.823 0.108 0.000 0.675 623 V HN 0.196 nan 8.190 nan 0.000 0.461 624 V N 1.015 121.055 119.914 0.209 0.000 2.323 624 V HA -0.171 3.948 4.120 -0.002 0.000 0.244 624 V C 2.616 178.793 176.094 0.137 0.000 1.041 624 V CA 2.425 64.845 62.300 0.200 0.000 1.025 624 V CB -0.843 31.173 31.823 0.322 0.000 0.656 624 V HN 0.508 nan 8.190 nan 0.000 0.451 625 D N -0.285 120.222 120.400 0.178 0.000 2.123 625 D HA -0.186 4.453 4.640 -0.002 0.000 0.196 625 D C 2.243 178.602 176.300 0.098 0.000 0.992 625 D CA 1.319 55.393 54.000 0.122 0.000 0.833 625 D CB -0.256 40.649 40.800 0.176 0.000 0.954 625 D HN 0.330 nan 8.370 nan 0.000 0.455 626 R N 0.777 121.340 120.500 0.106 0.000 2.082 626 R HA -0.147 4.192 4.340 -0.002 0.000 0.234 626 R C 1.896 178.238 176.300 0.069 0.000 1.136 626 R CA 1.278 57.428 56.100 0.083 0.000 0.935 626 R CB 0.073 30.421 30.300 0.080 0.000 0.842 626 R HN 0.015 nan 8.270 nan 0.000 0.430 627 E N 0.091 120.334 120.200 0.072 0.000 2.153 627 E HA -0.128 4.221 4.350 -0.002 0.000 0.194 627 E C 2.052 178.688 176.600 0.059 0.000 0.988 627 E CA 1.067 57.506 56.400 0.064 0.000 0.811 627 E CB -0.065 29.678 29.700 0.072 0.000 0.746 627 E HN 0.249 nan 8.360 nan 0.000 0.466 628 V N 1.237 121.183 119.914 0.054 0.000 2.379 628 V HA -0.224 3.895 4.120 -0.002 0.000 0.245 628 V C 2.478 178.580 176.094 0.014 0.000 1.044 628 V CA 1.835 64.152 62.300 0.028 0.000 1.036 628 V CB -0.501 31.322 31.823 -0.000 0.000 0.664 628 V HN 0.224 nan 8.190 nan 0.000 0.453 629 E N 0.840 121.065 120.200 0.042 0.000 2.086 629 E HA -0.317 4.032 4.350 -0.002 0.000 0.200 629 E C 2.198 178.827 176.600 0.049 0.000 1.012 629 E CA 2.384 58.820 56.400 0.060 0.000 0.812 629 E CB -0.408 29.335 29.700 0.071 0.000 0.743 629 E HN 0.673 nan 8.360 nan 0.000 0.453 630 Q N -0.414 119.412 119.800 0.043 0.000 1.969 630 Q HA -0.146 4.193 4.340 -0.002 0.000 0.198 630 Q C 2.366 178.383 176.000 0.028 0.000 0.978 630 Q CA 1.508 57.335 55.803 0.039 0.000 0.830 630 Q CB -0.410 28.351 28.738 0.037 0.000 0.896 630 Q HN 0.426 nan 8.270 nan 0.000 0.431 631 L N 0.859 122.096 121.223 0.024 0.000 2.010 631 L HA -0.290 4.049 4.340 -0.002 0.000 0.219 631 L C 2.255 179.128 176.870 0.005 0.000 1.077 631 L CA 2.154 57.004 54.840 0.016 0.000 0.773 631 L CB -0.668 41.417 42.059 0.044 0.000 0.892 631 L HN 0.365 nan 8.230 nan 0.000 0.436 632 M N -0.749 118.826 119.600 -0.041 0.000 2.117 632 M HA -0.185 4.294 4.480 -0.002 0.000 0.262 632 M C 2.477 178.822 176.300 0.074 0.000 1.065 632 M CA 1.830 57.066 55.300 -0.106 0.000 1.114 632 M CB -1.469 30.747 32.600 -0.639 0.000 1.361 632 M HN 0.403 nan 8.290 nan 0.000 0.408 633 R N 0.371 120.916 120.500 0.074 0.000 2.091 633 R HA -0.157 4.182 4.340 -0.002 0.000 0.238 633 R C 1.973 178.341 176.300 0.113 0.000 1.136 633 R CA 1.480 57.655 56.100 0.125 0.000 0.959 633 R CB -0.092 30.264 30.300 0.094 0.000 0.856 633 R HN 0.410 nan 8.270 nan 0.000 0.437 634 N N 0.906 119.646 118.700 0.067 0.000 2.043 634 N HA -0.180 4.559 4.740 -0.002 0.000 0.193 634 N C 1.960 177.489 175.510 0.033 0.000 1.037 634 N CA 1.438 54.509 53.050 0.035 0.000 0.851 634 N CB -0.356 38.132 38.487 0.000 0.000 1.027 634 N HN 0.249 nan 8.380 nan 0.000 0.422 635 L N 0.842 122.085 121.223 0.033 0.000 2.197 635 L HA -0.177 4.162 4.340 -0.002 0.000 0.215 635 L C 2.216 179.146 176.870 0.100 0.000 1.095 635 L CA 0.745 55.586 54.840 0.003 0.000 0.764 635 L CB -0.362 41.743 42.059 0.077 0.000 0.897 635 L HN 0.010 nan 8.230 nan 0.000 0.436 636 V N -0.923 119.105 119.914 0.190 0.000 2.331 636 V HA -0.114 4.005 4.120 -0.002 0.000 0.242 636 V C 1.416 177.568 176.094 0.097 0.000 1.034 636 V CA 0.762 63.174 62.300 0.186 0.000 1.027 636 V CB -0.273 31.734 31.823 0.306 0.000 0.667 636 V HN 0.416 nan 8.190 nan 0.000 0.457 642 K N 6.713 126.448 120.400 -1.108 0.000 2.404 642 K HA 0.324 4.643 4.320 -0.002 0.000 0.257 642 K C 0.319 176.301 176.600 -1.031 0.000 1.026 642 K CA -0.579 55.177 56.287 -0.886 0.000 0.951 642 K CB 0.905 33.156 32.500 -0.415 0.000 1.203 642 K HN 0.457 nan 8.250 nan 0.000 0.446 643 F N 1.314 120.906 119.950 -0.596 0.000 2.021 643 F HA -0.296 4.230 4.527 -0.002 0.000 0.297 643 F C 2.378 178.114 175.800 -0.107 0.000 1.152 643 F CA 1.526 59.367 58.000 -0.266 0.000 1.201 643 F CB -0.481 38.542 39.000 0.039 0.000 0.951 643 F HN 0.474 nan 8.300 nan 0.000 0.504 644 R N 0.017 120.606 120.500 0.148 0.000 2.103 644 R HA -0.217 4.122 4.340 -0.002 0.000 0.242 644 R C 1.800 178.099 176.300 -0.002 0.000 1.142 644 R CA 2.192 58.329 56.100 0.062 0.000 0.960 644 R CB -0.738 29.580 30.300 0.030 0.000 0.858 644 R HN 0.374 nan 8.270 nan 0.000 0.439 645 D N -1.202 119.157 120.400 -0.068 0.000 2.162 645 D HA -0.047 4.592 4.640 -0.002 0.000 0.203 645 D C 1.816 178.081 176.300 -0.058 0.000 0.967 645 D CA 1.257 55.209 54.000 -0.080 0.000 0.840 645 D CB -0.273 40.458 40.800 -0.115 0.000 0.972 645 D HN 0.332 nan 8.370 nan 0.000 0.482 646 G N 1.238 109.971 108.800 -0.112 0.000 2.442 646 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.219 646 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.219 646 G C 1.574 176.649 174.900 0.292 0.000 1.141 646 G CA 0.943 46.057 45.100 0.023 0.000 0.763 646 G HN 0.390 nan 8.290 nan 0.000 0.554 647 L N -1.408 120.023 121.223 0.346 0.000 2.307 647 L HA 0.364 4.703 4.340 -0.002 0.000 0.211 647 L C 2.411 179.291 176.870 0.016 0.000 1.099 647 L CA 1.154 56.099 54.840 0.175 0.000 0.816 647 L CB -0.613 41.316 42.059 -0.216 0.000 0.952 647 L HN 0.081 nan 8.230 nan 0.000 0.455 648 G N -0.168 108.635 108.800 0.005 0.000 2.679 648 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.212 648 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.212 648 G C 1.207 176.084 174.900 -0.037 0.000 1.137 648 G CA 0.426 45.503 45.100 -0.038 0.000 0.787 648 G HN 0.369 nan 8.290 nan 0.000 0.534 649 E N 0.172 120.374 120.200 0.002 0.000 2.201 649 E HA 0.380 4.729 4.350 -0.002 0.000 0.193 649 E C 1.700 178.311 176.600 0.018 0.000 0.957 649 E CA 0.248 56.648 56.400 0.001 0.000 0.858 649 E CB 0.026 29.732 29.700 0.011 0.000 0.816 649 E HN 0.270 nan 8.360 nan 0.000 0.475 650 A N 1.518 124.374 122.820 0.060 0.000 2.483 650 A HA 0.388 4.707 4.320 -0.002 0.000 0.238 650 A C -0.088 177.478 177.584 -0.030 0.000 1.070 650 A CA -0.011 52.058 52.037 0.054 0.000 0.770 650 A CB -0.164 18.923 19.000 0.145 0.000 1.008 650 A HN 0.356 nan 8.150 nan 0.000 0.497 651 N N -0.307 118.371 118.700 -0.036 0.000 2.494 651 N HA 0.435 5.174 4.740 -0.002 0.000 0.270 651 N C -1.139 174.328 175.510 -0.071 0.000 1.285 651 N CA -0.847 52.152 53.050 -0.086 0.000 0.812 651 N CB 0.283 38.783 38.487 0.021 0.000 1.557 651 N HN 0.615 nan 8.380 nan 0.000 0.487 652 H N -0.331 118.804 119.070 0.108 0.000 2.771 652 H HA 0.651 5.206 4.556 -0.002 0.000 0.364 652 H C -0.242 175.219 175.328 0.221 0.000 1.133 652 H CA 0.597 56.734 56.048 0.149 0.000 1.423 652 H CB 0.764 30.579 29.762 0.088 0.000 1.425 652 H HN 0.862 nan 8.280 nan 0.000 0.606 653 A N 2.570 125.604 122.820 0.357 0.000 2.604 653 A HA 0.646 4.965 4.320 -0.002 0.000 0.295 653 A C -1.010 176.714 177.584 0.233 0.000 1.067 653 A CA -0.835 51.371 52.037 0.282 0.000 0.683 653 A CB 1.336 20.452 19.000 0.193 0.000 1.281 653 A HN 0.738 nan 8.150 nan 0.000 0.407 654 M N -0.384 119.314 119.600 0.163 0.000 2.603 654 M HA 0.748 5.227 4.480 -0.002 0.000 0.275 654 M C -1.455 174.865 176.300 0.032 0.000 1.226 654 M CA -0.398 54.951 55.300 0.081 0.000 0.870 654 M CB 1.856 34.472 32.600 0.026 0.000 1.716 654 M HN 0.453 nan 8.290 nan 0.000 0.482 655 S N 1.787 117.492 115.700 0.008 0.000 2.503 655 S HA 0.800 5.269 4.470 -0.002 0.000 0.301 655 S C -0.910 173.659 174.600 -0.051 0.000 1.087 655 S CA -0.844 57.345 58.200 -0.018 0.000 1.042 655 S CB 1.618 64.816 63.200 -0.003 0.000 1.043 655 S HN 0.610 nan 8.310 nan 0.000 0.489 656 L N 3.193 124.373 121.223 -0.072 0.000 2.305 656 L HA 0.429 4.768 4.340 -0.002 0.000 0.284 656 L C 0.488 177.315 176.870 -0.071 0.000 1.013 656 L CA -0.809 53.981 54.840 -0.083 0.000 0.819 656 L CB 1.400 43.402 42.059 -0.094 0.000 1.227 656 L HN 0.634 nan 8.230 nan 0.000 0.417 657 T N 0.984 115.502 114.554 -0.059 0.000 2.802 657 T HA 0.250 4.599 4.350 -0.002 0.000 0.305 657 T C 0.924 175.577 174.700 -0.078 0.000 1.053 657 T CA -0.443 61.628 62.100 -0.047 0.000 1.058 657 T CB 1.412 70.252 68.868 -0.046 0.000 0.988 657 T HN 0.480 nan 8.240 nan 0.000 0.539 658 L N -0.142 121.031 121.223 -0.084 0.000 2.906 658 L HA 0.248 4.587 4.340 -0.002 0.000 0.255 658 L C 0.856 177.390 176.870 -0.560 0.000 1.166 658 L CA -0.260 54.489 54.840 -0.153 0.000 0.977 658 L CB 0.275 42.357 42.059 0.038 0.000 1.313 658 L HN 0.725 nan 8.230 nan 0.000 0.549 659 D N 2.881 122.941 120.400 -0.566 0.000 2.358 659 D HA 0.044 4.683 4.640 -0.002 0.000 0.258 659 D C -1.366 174.528 176.300 -0.676 0.000 1.223 659 D CA -1.363 52.089 54.000 -0.913 0.000 0.886 659 D CB 1.713 42.347 40.800 -0.275 0.000 1.120 659 D HN 0.023 nan 8.370 nan 0.000 0.482 660 P HA -0.151 nan 4.420 nan 0.000 0.228 660 P C 0.315 177.346 177.300 -0.448 0.000 1.151 660 P CA 0.897 63.625 63.100 -0.620 0.000 0.770 660 P CB 0.016 31.321 31.700 -0.658 0.000 0.786 661 Y N -1.004 119.249 120.300 -0.078 0.000 2.485 661 Y HA 0.476 5.025 4.550 -0.002 0.000 0.260 661 Y C 2.323 178.221 175.900 -0.003 0.000 1.173 661 Y CA -0.432 57.669 58.100 0.001 0.000 1.252 661 Y CB -0.736 37.753 38.460 0.047 0.000 1.123 661 Y HN -0.032 nan 8.280 nan 0.000 0.524 662 A N -0.448 122.400 122.820 0.046 0.000 2.195 662 A HA 0.096 4.415 4.320 -0.002 0.000 0.210 662 A C 1.233 178.832 177.584 0.025 0.000 1.165 662 A CA 0.144 52.197 52.037 0.027 0.000 0.806 662 A CB -1.042 17.947 19.000 -0.017 0.000 0.847 662 A HN 0.424 nan 8.150 nan 0.000 0.482 663 C N -1.032 118.288 119.300 0.034 0.000 2.639 663 C HA 0.644 5.103 4.460 -0.002 0.000 0.360 663 C C 1.301 176.342 174.990 0.084 0.000 1.351 663 C CA -0.800 58.260 59.018 0.070 0.000 2.408 663 C CB -0.657 27.112 27.740 0.048 0.000 2.517 663 C HN 0.559 nan 8.230 nan 0.000 0.696 664 G N 0.908 109.776 108.800 0.113 0.000 2.614 664 G HA2 0.464 4.423 3.960 -0.002 0.000 0.239 664 G HA3 0.464 4.423 3.960 -0.002 0.000 0.239 664 G C -1.689 173.260 174.900 0.081 0.000 1.240 664 G CA -0.653 44.504 45.100 0.095 0.000 0.842 664 G HN 0.831 nan 8.290 nan 0.000 0.584 665 P HA 0.166 nan 4.420 nan 0.000 0.237 665 P C -0.372 176.989 177.300 0.103 0.000 1.723 665 P CA -0.090 63.091 63.100 0.135 0.000 0.882 665 P CB -0.212 31.631 31.700 0.238 0.000 1.810 666 C N 0.723 120.056 119.300 0.056 0.000 2.701 666 C HA 0.478 4.937 4.460 -0.002 0.000 0.336 666 C C -1.816 173.166 174.990 -0.014 0.000 1.123 666 C CA -2.136 56.895 59.018 0.022 0.000 1.326 666 C CB 1.655 29.434 27.740 0.065 0.000 1.833 666 C HN 0.002 nan 8.230 nan 0.000 0.473 667 P HA -0.133 nan 4.420 nan 0.000 0.218 667 P C 1.583 178.854 177.300 -0.049 0.000 1.146 667 P CA 1.017 64.096 63.100 -0.035 0.000 0.813 667 P CB 0.088 31.771 31.700 -0.028 0.000 0.778 668 L N -0.748 120.453 121.223 -0.036 0.000 2.049 668 L HA -0.050 4.289 4.340 -0.002 0.000 0.203 668 L C 2.004 178.732 176.870 -0.236 0.000 1.074 668 L CA 1.746 56.544 54.840 -0.070 0.000 0.749 668 L CB -1.320 40.790 42.059 0.084 0.000 0.907 668 L HN -0.019 nan 8.230 nan 0.000 0.439 669 L N -0.496 120.579 121.223 -0.247 0.000 2.261 669 L HA -0.239 4.100 4.340 -0.002 0.000 0.216 669 L C 2.572 179.161 176.870 -0.468 0.000 1.114 669 L CA 0.961 55.520 54.840 -0.468 0.000 0.777 669 L CB -0.386 41.570 42.059 -0.171 0.000 0.910 669 L HN 0.441 nan 8.230 nan 0.000 0.440 670 Q N -0.369 119.293 119.800 -0.231 0.000 2.096 670 Q HA -0.168 4.171 4.340 -0.002 0.000 0.197 670 Q C 2.252 178.140 176.000 -0.186 0.000 0.964 670 Q CA 0.934 56.647 55.803 -0.151 0.000 0.838 670 Q CB -0.067 28.633 28.738 -0.063 0.000 0.906 670 Q HN 0.345 nan 8.270 nan 0.000 0.444 671 L N 0.588 121.698 121.223 -0.190 0.000 2.012 671 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 671 L C 1.900 178.623 176.870 -0.245 0.000 1.073 671 L CA 1.516 56.252 54.840 -0.174 0.000 0.748 671 L CB -0.498 41.469 42.059 -0.152 0.000 0.891 671 L HN 0.169 nan 8.230 nan 0.000 0.431 672 L N 0.190 121.172 121.223 -0.402 0.000 2.013 672 L HA -0.162 4.177 4.340 -0.002 0.000 0.212 672 L C 2.551 179.229 176.870 -0.319 0.000 1.073 672 L CA 2.161 56.707 54.840 -0.490 0.000 0.753 672 L CB -1.880 39.578 42.059 -1.003 0.000 0.890 672 L HN 0.439 nan 8.230 nan 0.000 0.432 673 G N -1.628 107.000 108.800 -0.287 0.000 2.402 673 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.216 673 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.216 673 G C 1.835 176.685 174.900 -0.082 0.000 1.162 673 G CA 0.652 45.744 45.100 -0.014 0.000 0.777 673 G HN 0.293 nan 8.290 nan 0.000 0.539 674 R N 0.008 120.439 120.500 -0.114 0.000 2.083 674 R HA -0.073 4.266 4.340 -0.002 0.000 0.237 674 R C 2.744 178.967 176.300 -0.128 0.000 1.137 674 R CA 1.033 57.068 56.100 -0.109 0.000 0.951 674 R CB -0.175 30.074 30.300 -0.086 0.000 0.851 674 R HN 0.107 nan 8.270 nan 0.000 0.434 675 R N 0.236 120.658 120.500 -0.130 0.000 2.073 675 R HA -0.047 4.292 4.340 -0.002 0.000 0.234 675 R C 2.372 178.600 176.300 -0.121 0.000 1.134 675 R CA 1.598 57.624 56.100 -0.124 0.000 0.952 675 R CB -0.819 29.399 30.300 -0.137 0.000 0.850 675 R HN 0.238 nan 8.270 nan 0.000 0.433 676 S N 1.395 117.032 115.700 -0.105 0.000 2.359 676 S HA -0.163 4.306 4.470 -0.002 0.000 0.222 676 S C 1.685 176.195 174.600 -0.150 0.000 1.038 676 S CA 1.795 59.947 58.200 -0.080 0.000 1.051 676 S CB -0.516 62.674 63.200 -0.017 0.000 0.944 676 S HN 0.501 nan 8.310 nan 0.000 0.433 677 N N 1.208 119.768 118.700 -0.234 0.000 2.094 677 N HA -0.096 4.643 4.740 -0.002 0.000 0.191 677 N C 1.752 176.796 175.510 -0.777 0.000 1.023 677 N CA 1.134 53.878 53.050 -0.510 0.000 0.857 677 N CB -0.372 37.807 38.487 -0.514 0.000 1.013 677 N HN 0.248 nan 8.380 nan 0.000 0.426 678 L N 0.883 121.838 121.223 -0.446 0.000 2.042 678 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 678 L C 2.631 179.434 176.870 -0.112 0.000 1.076 678 L CA 1.003 55.697 54.840 -0.243 0.000 0.749 678 L CB -0.530 41.478 42.059 -0.085 0.000 0.893 678 L HN 0.251 nan 8.230 nan 0.000 0.432 679 A N -0.401 122.362 122.820 -0.094 0.000 1.858 679 A HA -0.179 4.140 4.320 -0.002 0.000 0.216 679 A C 2.267 179.870 177.584 0.032 0.000 1.190 679 A CA 1.937 53.968 52.037 -0.009 0.000 0.617 679 A CB -0.932 18.063 19.000 -0.009 0.000 0.827 679 A HN 0.206 nan 8.150 nan 0.000 0.443 680 V N -0.858 119.050 119.914 -0.010 0.000 2.392 680 V HA -0.294 3.825 4.120 -0.002 0.000 0.249 680 V C 2.465 178.712 176.094 0.255 0.000 1.059 680 V CA 2.004 64.372 62.300 0.112 0.000 1.051 680 V CB -1.135 30.768 31.823 0.133 0.000 0.658 680 V HN 0.633 nan 8.190 nan 0.000 0.455 681 Y N 0.883 121.262 120.300 0.132 0.000 2.133 681 Y HA -0.179 4.370 4.550 -0.002 0.000 0.287 681 Y C 2.700 178.664 175.900 0.106 0.000 1.134 681 Y CA 0.945 59.120 58.100 0.125 0.000 1.133 681 Y CB -1.299 37.218 38.460 0.096 0.000 0.987 681 Y HN 0.346 nan 8.280 nan 0.000 0.502 682 Q N -0.183 119.768 119.800 0.253 0.000 2.152 682 Q HA -0.256 4.083 4.340 -0.002 0.000 0.206 682 Q C 1.777 177.874 176.000 0.161 0.000 0.985 682 Q CA 1.848 57.753 55.803 0.170 0.000 0.863 682 Q CB -0.399 28.416 28.738 0.129 0.000 0.904 682 Q HN 0.457 nan 8.270 nan 0.000 0.422 683 D N 0.624 121.124 120.400 0.167 0.000 2.104 683 D HA -0.158 4.481 4.640 -0.002 0.000 0.194 683 D C 1.802 178.192 176.300 0.149 0.000 0.994 683 D CA 1.088 55.185 54.000 0.161 0.000 0.830 683 D CB -0.059 40.823 40.800 0.135 0.000 0.959 683 D HN 0.136 nan 8.370 nan 0.000 0.452 684 L N 0.081 121.402 121.223 0.162 0.000 1.994 684 L HA -0.153 4.187 4.340 -0.002 0.000 0.208 684 L C 2.694 179.628 176.870 0.106 0.000 1.071 684 L CA 1.226 56.146 54.840 0.134 0.000 0.745 684 L CB -0.785 41.392 42.059 0.197 0.000 0.892 684 L HN 0.085 nan 8.230 nan 0.000 0.431 685 A N 0.121 123.009 122.820 0.113 0.000 1.892 685 A HA -0.245 4.074 4.320 -0.002 0.000 0.218 685 A C 2.185 179.806 177.584 0.061 0.000 1.188 685 A CA 1.768 53.847 52.037 0.070 0.000 0.631 685 A CB -0.802 18.240 19.000 0.070 0.000 0.822 685 A HN 0.271 nan 8.150 nan 0.000 0.447 686 L N 0.890 122.170 121.223 0.095 0.000 2.043 686 L HA -0.210 4.129 4.340 -0.002 0.000 0.212 686 L C 2.962 179.941 176.870 0.182 0.000 1.075 686 L CA 2.572 57.488 54.840 0.127 0.000 0.752 686 L CB -0.969 41.204 42.059 0.191 0.000 0.891 686 L HN 0.634 nan 8.230 nan 0.000 0.432 687 S N -1.889 113.910 115.700 0.166 0.000 2.500 687 S HA -0.152 4.317 4.470 -0.002 0.000 0.239 687 S C 1.559 176.301 174.600 0.237 0.000 0.989 687 S CA 0.670 58.986 58.200 0.193 0.000 0.951 687 S CB -0.224 63.031 63.200 0.093 0.000 0.759 687 S HN 0.520 nan 8.310 nan 0.000 0.523 688 Q N -0.239 119.640 119.800 0.131 0.000 2.352 688 Q HA 0.287 4.626 4.340 -0.002 0.000 0.212 688 Q C 2.070 178.052 176.000 -0.031 0.000 0.888 688 Q CA 0.248 56.103 55.803 0.087 0.000 0.934 688 Q CB -0.766 27.996 28.738 0.041 0.000 1.093 688 Q HN 0.607 nan 8.270 nan 0.000 0.523 689 C N 0.685 119.929 119.300 -0.093 0.000 2.413 689 C HA -0.158 4.301 4.460 -0.002 0.000 0.276 689 C C 2.597 177.232 174.990 -0.592 0.000 1.248 689 C CA 0.974 59.718 59.018 -0.457 0.000 1.742 689 C CB -1.050 26.357 27.740 -0.555 0.000 2.017 689 C HN 0.587 nan 8.230 nan 0.000 0.481 690 H N 0.495 119.488 119.070 -0.129 0.000 2.387 690 H HA -0.081 4.474 4.556 -0.002 0.000 0.299 690 H C 2.376 177.656 175.328 -0.079 0.000 1.090 690 H CA 1.981 58.021 56.048 -0.014 0.000 1.332 690 H CB -0.517 29.246 29.762 0.002 0.000 1.386 690 H HN 0.490 nan 8.280 nan 0.000 0.516 691 G N 0.077 108.889 108.800 0.020 0.000 2.422 691 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.218 691 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.218 691 G C 1.912 176.784 174.900 -0.047 0.000 1.140 691 G CA 0.778 45.877 45.100 -0.002 0.000 0.775 691 G HN 0.349 nan 8.290 nan 0.000 0.545 692 V N 0.376 120.217 119.914 -0.122 0.000 2.515 692 V HA -0.053 4.066 4.120 -0.002 0.000 0.250 692 V C 2.389 178.495 176.094 0.021 0.000 1.058 692 V CA 1.147 63.395 62.300 -0.087 0.000 1.064 692 V CB -0.513 31.214 31.823 -0.161 0.000 0.675 692 V HN 0.281 nan 8.190 nan 0.000 0.461 693 F N 0.687 120.595 119.950 -0.070 0.000 2.270 693 F HA 0.388 4.915 4.527 -0.002 0.000 0.295 693 F C 1.738 177.429 175.800 -0.181 0.000 1.087 693 F CA -0.368 57.552 58.000 -0.135 0.000 1.365 693 F CB -1.329 37.574 39.000 -0.162 0.000 1.056 693 F HN 0.040 nan 8.300 nan 0.000 0.506 694 A N 0.631 123.436 122.820 -0.025 0.000 2.583 694 A HA 0.317 4.636 4.320 -0.002 0.000 0.249 694 A C 1.493 179.076 177.584 -0.001 0.000 1.035 694 A CA 0.767 52.769 52.037 -0.059 0.000 0.777 694 A CB -1.157 17.812 19.000 -0.052 0.000 0.942 694 A HN 1.074 nan 8.150 nan 0.000 0.516 695 G N 2.017 110.819 108.800 0.004 0.000 2.350 695 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.298 695 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.298 695 G C -0.175 174.735 174.900 0.018 0.000 1.037 695 G CA 0.603 45.712 45.100 0.014 0.000 1.074 695 G HN 1.047 nan 8.290 nan 0.000 0.511 696 Q N -0.878 118.915 119.800 -0.012 0.000 2.377 696 Q HA 0.455 4.794 4.340 -0.002 0.000 0.279 696 Q C -0.449 175.514 176.000 -0.061 0.000 1.049 696 Q CA -0.612 55.190 55.803 -0.001 0.000 0.825 696 Q CB 1.794 30.504 28.738 -0.047 0.000 1.401 696 Q HN 0.370 nan 8.270 nan 0.000 0.404 697 S N 1.204 116.900 115.700 -0.006 0.000 2.700 697 S HA 0.104 4.573 4.470 -0.002 0.000 0.321 697 S C 0.865 175.347 174.600 -0.197 0.000 1.161 697 S CA -0.164 57.988 58.200 -0.081 0.000 1.078 697 S CB -0.200 62.994 63.200 -0.010 0.000 1.302 697 S HN 0.467 nan 8.310 nan 0.000 0.540 698 V N 4.692 124.329 119.914 -0.461 0.000 3.383 698 V HA 0.030 4.149 4.120 -0.002 0.000 0.272 698 V C 1.507 177.204 176.094 -0.663 0.000 1.181 698 V CA 1.465 63.173 62.300 -0.987 0.000 1.171 698 V CB -0.410 30.826 31.823 -0.979 0.000 0.800 698 V HN 0.819 nan 8.190 nan 0.000 0.515 699 E N -0.166 119.787 120.200 -0.412 0.000 2.476 699 E HA 0.205 4.554 4.350 -0.002 0.000 0.196 699 E C 1.192 177.741 176.600 -0.086 0.000 1.029 699 E CA 0.078 56.266 56.400 -0.354 0.000 0.896 699 E CB 0.398 29.715 29.700 -0.638 0.000 1.012 699 E HN 0.591 nan 8.360 nan 0.000 0.475 700 G N 1.392 110.203 108.800 0.018 0.000 2.391 700 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.234 700 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.234 700 G C 0.708 175.708 174.900 0.167 0.000 1.284 700 G CA -0.134 45.045 45.100 0.131 0.000 0.873 700 G HN 0.182 nan 8.290 nan 0.000 0.549 701 R N 1.816 122.389 120.500 0.121 0.000 2.133 701 R HA -0.198 4.141 4.340 -0.002 0.000 0.245 701 R C 0.989 177.379 176.300 0.151 0.000 1.137 701 R CA 1.951 58.121 56.100 0.117 0.000 0.947 701 R CB -0.075 30.275 30.300 0.083 0.000 0.865 701 R HN 0.709 nan 8.270 nan 0.000 0.437 702 N N -0.060 118.738 118.700 0.163 0.000 2.735 702 N HA -0.049 4.690 4.740 -0.002 0.000 0.312 702 N C 0.257 175.895 175.510 0.212 0.000 1.843 702 N CA -0.310 52.839 53.050 0.164 0.000 0.945 702 N CB -0.179 38.369 38.487 0.103 0.000 1.299 702 N HN 0.156 nan 8.380 nan 0.000 0.489 703 F N 2.057 122.095 119.950 0.146 0.000 2.161 703 F HA -0.030 4.496 4.527 -0.002 0.000 0.300 703 F C 2.101 178.056 175.800 0.259 0.000 1.089 703 F CA 1.424 59.565 58.000 0.236 0.000 1.282 703 F CB 0.207 39.308 39.000 0.169 0.000 1.010 703 F HN 0.129 nan 8.300 nan 0.000 0.485 704 R N 0.068 120.721 120.500 0.256 0.000 2.080 704 R HA -0.204 4.135 4.340 -0.002 0.000 0.236 704 R C 1.932 178.251 176.300 0.032 0.000 1.137 704 R CA 1.678 57.866 56.100 0.147 0.000 0.943 704 R CB -0.640 29.756 30.300 0.160 0.000 0.846 704 R HN 0.281 nan 8.270 nan 0.000 0.431 705 N N 0.485 119.203 118.700 0.030 0.000 2.396 705 N HA -0.116 4.623 4.740 -0.002 0.000 0.180 705 N C 1.574 177.017 175.510 -0.112 0.000 1.028 705 N CA 0.967 54.004 53.050 -0.022 0.000 0.893 705 N CB 0.095 38.590 38.487 0.013 0.000 0.967 705 N HN 0.378 nan 8.380 nan 0.000 0.440 706 Q N -1.330 118.377 119.800 -0.156 0.000 2.137 706 Q HA 0.061 4.400 4.340 -0.002 0.000 0.198 706 Q C 0.648 176.251 176.000 -0.661 0.000 0.960 706 Q CA 0.911 56.486 55.803 -0.380 0.000 0.847 706 Q CB 0.166 28.685 28.738 -0.364 0.000 0.915 706 Q HN 0.344 nan 8.270 nan 0.000 0.448 707 F N -1.034 118.672 119.950 -0.407 0.000 2.746 707 F HA 0.102 4.628 4.527 -0.002 0.000 0.313 707 F C 2.019 177.688 175.800 -0.218 0.000 1.095 707 F CA -0.203 57.584 58.000 -0.354 0.000 1.224 707 F CB 0.297 38.964 39.000 -0.556 0.000 1.060 707 F HN -0.059 nan 8.300 nan 0.000 0.584 708 Q N 1.913 121.690 119.800 -0.038 0.000 2.133 708 Q HA -0.174 4.165 4.340 -0.002 0.000 0.208 708 Q C -0.896 175.060 176.000 -0.073 0.000 0.991 708 Q CA 2.366 58.148 55.803 -0.035 0.000 0.867 708 Q CB -1.490 27.217 28.738 -0.052 0.000 0.911 708 Q HN 0.144 nan 8.270 nan 0.000 0.417 709 P HA -0.193 nan 4.420 nan 0.000 0.217 709 P C 1.093 178.336 177.300 -0.095 0.000 1.151 709 P CA 1.584 64.604 63.100 -0.133 0.000 0.849 709 P CB -0.035 31.567 31.700 -0.163 0.000 0.787 710 V N -0.818 119.061 119.914 -0.057 0.000 2.283 710 V HA -0.187 3.932 4.120 -0.002 0.000 0.243 710 V C 2.372 178.453 176.094 -0.021 0.000 1.039 710 V CA 1.422 63.713 62.300 -0.016 0.000 1.016 710 V CB -1.383 30.486 31.823 0.077 0.000 0.650 710 V HN 0.038 nan 8.190 nan 0.000 0.449 711 L N 0.684 121.902 121.223 -0.008 0.000 2.043 711 L HA -0.213 4.126 4.340 -0.002 0.000 0.212 711 L C 2.599 179.441 176.870 -0.047 0.000 1.075 711 L CA 2.191 57.016 54.840 -0.025 0.000 0.752 711 L CB -0.822 41.226 42.059 -0.018 0.000 0.891 711 L HN 0.240 nan 8.230 nan 0.000 0.432 712 R N -0.356 120.107 120.500 -0.062 0.000 2.080 712 R HA -0.244 4.096 4.340 -0.002 0.000 0.236 712 R C 2.556 178.785 176.300 -0.117 0.000 1.137 712 R CA 2.128 58.175 56.100 -0.088 0.000 0.943 712 R CB -0.407 29.831 30.300 -0.104 0.000 0.846 712 R HN 0.423 nan 8.270 nan 0.000 0.431 713 R N 0.222 120.655 120.500 -0.112 0.000 2.096 713 R HA -0.065 4.274 4.340 -0.002 0.000 0.235 713 R C 2.379 178.599 176.300 -0.135 0.000 1.127 713 R CA 1.393 57.413 56.100 -0.133 0.000 0.968 713 R CB -0.069 30.169 30.300 -0.105 0.000 0.861 713 R HN 0.239 nan 8.270 nan 0.000 0.440 714 R N -0.186 120.259 120.500 -0.090 0.000 2.152 714 R HA -0.070 4.269 4.340 -0.002 0.000 0.232 714 R C 2.125 178.370 176.300 -0.091 0.000 1.117 714 R CA 1.210 57.265 56.100 -0.075 0.000 0.981 714 R CB -0.082 30.199 30.300 -0.032 0.000 0.870 714 R HN 0.155 nan 8.270 nan 0.000 0.451 715 V N 1.094 120.948 119.914 -0.100 0.000 2.283 715 V HA -0.221 3.898 4.120 -0.002 0.000 0.243 715 V C 2.466 178.441 176.094 -0.198 0.000 1.039 715 V CA 1.428 63.675 62.300 -0.087 0.000 1.016 715 V CB -0.341 31.447 31.823 -0.059 0.000 0.650 715 V HN 0.226 nan 8.190 nan 0.000 0.449 716 M N -0.061 119.317 119.600 -0.370 0.000 2.144 716 M HA -0.226 4.253 4.480 -0.002 0.000 0.260 716 M C 1.919 177.780 176.300 -0.731 0.000 1.067 716 M CA 1.676 56.460 55.300 -0.860 0.000 1.095 716 M CB -1.327 30.877 32.600 -0.660 0.000 1.365 716 M HN 0.367 nan 8.290 nan 0.000 0.406 717 D N 0.251 120.442 120.400 -0.349 0.000 2.221 717 D HA -0.129 4.510 4.640 -0.002 0.000 0.204 717 D C 1.943 178.166 176.300 -0.127 0.000 0.982 717 D CA 1.097 54.968 54.000 -0.215 0.000 0.857 717 D CB -0.238 40.472 40.800 -0.151 0.000 0.934 717 D HN 0.434 nan 8.370 nan 0.000 0.475 718 M N -0.204 119.354 119.600 -0.070 0.000 2.374 718 M HA -0.081 4.398 4.480 -0.002 0.000 0.264 718 M C 0.110 176.539 176.300 0.215 0.000 1.067 718 M CA 0.217 55.552 55.300 0.059 0.000 1.103 718 M CB -0.088 32.578 32.600 0.110 0.000 1.402 718 M HN -0.173 nan 8.290 nan 0.000 0.444 719 F N 3.178 123.101 119.950 -0.045 0.000 2.604 719 F HA -0.117 4.409 4.527 -0.001 0.000 0.390 719 F C 1.078 176.852 175.800 -0.042 0.000 1.053 719 F CA 0.089 58.057 58.000 -0.053 0.000 1.256 719 F CB -0.912 38.047 39.000 -0.068 0.000 0.996 719 F HN 0.336 nan 8.300 nan 0.000 0.564 720 N N 2.174 120.937 118.700 0.105 0.000 2.705 720 N HA -0.291 4.448 4.740 -0.002 0.000 0.255 720 N C 0.070 175.639 175.510 0.099 0.000 1.008 720 N CA 0.639 53.728 53.050 0.065 0.000 0.742 720 N CB -0.975 37.539 38.487 0.046 0.000 0.906 720 N HN 0.616 nan 8.380 nan 0.000 0.541 721 N N -0.929 117.842 118.700 0.117 0.000 2.377 721 N HA 0.243 4.982 4.740 -0.002 0.000 0.259 721 N C 1.198 176.848 175.510 0.234 0.000 1.332 721 N CA 0.787 53.920 53.050 0.139 0.000 0.877 721 N CB 0.709 39.205 38.487 0.014 0.000 1.299 721 N HN 0.571 nan 8.380 nan 0.000 0.501 722 G N 0.420 109.347 108.800 0.212 0.000 2.612 722 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.200 722 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.200 722 G C 0.366 175.420 174.900 0.258 0.000 1.053 722 G CA 0.187 45.426 45.100 0.232 0.000 0.707 722 G HN 0.313 nan 8.290 nan 0.000 0.497 723 F N 1.116 121.104 119.950 0.064 0.000 2.532 723 F HA 0.600 5.126 4.527 -0.002 0.000 0.276 723 F C 0.692 176.524 175.800 0.054 0.000 0.911 723 F CA -0.112 57.922 58.000 0.058 0.000 1.196 723 F CB 0.141 39.169 39.000 0.047 0.000 1.087 723 F HN 0.029 nan 8.300 nan 0.000 0.775 724 L N 2.043 123.196 121.223 -0.118 0.000 2.325 724 L HA 0.235 4.574 4.340 -0.002 0.000 0.284 724 L C 0.193 176.970 176.870 -0.155 0.000 1.089 724 L CA -0.399 54.297 54.840 -0.240 0.000 0.836 724 L CB 0.730 42.766 42.059 -0.038 0.000 1.184 724 L HN 0.116 nan 8.230 nan 0.000 0.444 725 S N 3.394 118.972 115.700 -0.204 0.000 2.489 725 S HA 0.726 5.195 4.470 -0.002 0.000 0.277 725 S C -0.196 174.251 174.600 -0.256 0.000 1.230 725 S CA -0.495 57.610 58.200 -0.158 0.000 1.053 725 S CB 0.947 64.075 63.200 -0.119 0.000 0.955 725 S HN 0.682 nan 8.310 nan 0.000 0.488 726 A N 4.244 126.895 122.820 -0.282 0.000 2.469 726 A HA 0.868 5.187 4.320 -0.002 0.000 0.299 726 A C -0.823 176.525 177.584 -0.394 0.000 1.098 726 A CA -0.985 50.767 52.037 -0.474 0.000 0.737 726 A CB 1.453 20.023 19.000 -0.716 0.000 1.312 726 A HN 0.911 nan 8.150 nan 0.000 0.414 727 K N -0.204 119.839 120.400 -0.594 0.000 2.482 727 K HA 0.807 5.126 4.320 -0.002 0.000 0.257 727 K C -1.243 175.051 176.600 -0.511 0.000 0.969 727 K CA -0.479 55.515 56.287 -0.489 0.000 0.842 727 K CB 2.101 34.306 32.500 -0.493 0.000 1.359 727 K HN 0.418 nan 8.250 nan 0.000 0.441 728 T N 1.909 116.305 114.554 -0.262 0.000 2.856 728 T HA 0.519 4.868 4.350 -0.002 0.000 0.283 728 T C -1.048 173.613 174.700 -0.065 0.000 1.008 728 T CA -0.755 61.266 62.100 -0.131 0.000 0.997 728 T CB 0.681 69.520 68.868 -0.048 0.000 0.992 728 T HN 0.410 nan 8.240 nan 0.000 0.454 729 L N 1.895 123.131 121.223 0.021 0.000 2.408 729 L HA 0.558 4.897 4.340 -0.002 0.000 0.268 729 L C -0.051 176.853 176.870 0.058 0.000 0.986 729 L CA -0.850 54.022 54.840 0.052 0.000 0.820 729 L CB 2.435 44.561 42.059 0.112 0.000 1.303 729 L HN 0.560 nan 8.230 nan 0.000 0.411 730 T N 2.604 117.183 114.554 0.041 0.000 2.758 730 T HA 0.495 4.844 4.350 -0.002 0.000 0.285 730 T C -0.456 174.269 174.700 0.042 0.000 0.981 730 T CA -0.403 61.720 62.100 0.039 0.000 0.965 730 T CB 0.740 69.625 68.868 0.029 0.000 0.927 730 T HN 0.215 nan 8.240 nan 0.000 0.448 731 V N 5.335 125.275 119.914 0.045 0.000 2.488 731 V HA 0.541 4.660 4.120 -0.002 0.000 0.277 731 V C 1.012 177.129 176.094 0.038 0.000 1.046 731 V CA -0.856 61.470 62.300 0.044 0.000 0.986 731 V CB 0.496 32.346 31.823 0.046 0.000 0.989 731 V HN 1.102 nan 8.190 nan 0.000 0.475 732 A N 6.318 129.160 122.820 0.036 0.000 2.401 732 A HA 0.613 4.932 4.320 -0.002 0.000 0.259 732 A C 0.122 177.725 177.584 0.033 0.000 1.103 732 A CA -0.350 51.707 52.037 0.032 0.000 0.789 732 A CB 0.133 19.151 19.000 0.031 0.000 1.035 732 A HN 0.819 nan 8.150 nan 0.000 0.491 733 L N 1.579 122.820 121.223 0.030 0.000 2.682 733 L HA 0.436 4.775 4.340 -0.002 0.000 0.209 733 L C 1.257 178.145 176.870 0.030 0.000 1.195 733 L CA -0.133 54.725 54.840 0.030 0.000 0.869 733 L CB 0.293 42.369 42.059 0.028 0.000 1.599 733 L HN 0.905 nan 8.230 nan 0.000 0.518 739 I N 0.977 121.587 120.570 0.066 0.000 2.439 739 I HA 0.297 4.466 4.170 -0.002 0.000 0.285 739 I C -0.378 175.801 176.117 0.102 0.000 1.021 739 I CA -0.834 60.519 61.300 0.088 0.000 1.091 739 I CB 1.776 39.839 38.000 0.105 0.000 1.242 739 I HN 0.178 nan 8.210 nan 0.000 0.439 740 C N 5.888 125.239 119.300 0.085 0.000 2.566 740 C HA 0.762 5.221 4.460 -0.002 0.000 0.393 740 C C 0.768 175.813 174.990 0.091 0.000 1.309 740 C CA -0.096 58.972 59.018 0.082 0.000 1.801 740 C CB -0.986 26.806 27.740 0.086 0.000 2.493 740 C HN 0.867 nan 8.230 nan 0.000 0.575 741 A N 5.298 128.157 122.820 0.066 0.000 2.608 741 A HA 0.822 5.141 4.320 -0.002 0.000 0.292 741 A C -3.026 174.445 177.584 -0.189 0.000 1.066 741 A CA -1.204 50.769 52.037 -0.107 0.000 0.676 741 A CB 0.598 19.534 19.000 -0.106 0.000 1.277 741 A HN 0.494 nan 8.150 nan 0.000 0.413 742 P HA 0.043 nan 4.420 nan 0.000 0.269 742 P C 0.010 177.257 177.300 -0.088 0.000 1.200 742 P CA 0.414 63.218 63.100 -0.494 0.000 0.779 742 P CB 0.461 31.837 31.700 -0.540 0.000 0.841 743 S N 1.398 117.095 115.700 -0.006 0.000 2.513 743 S HA 0.197 4.666 4.470 -0.002 0.000 0.276 743 S C 1.206 175.789 174.600 -0.028 0.000 1.254 743 S CA -0.626 57.586 58.200 0.020 0.000 1.053 743 S CB -0.406 62.795 63.200 0.001 0.000 0.958 743 S HN 0.286 nan 8.310 nan 0.000 0.491 744 L N 4.153 125.279 121.223 -0.162 0.000 2.622 744 L HA 0.041 4.380 4.340 -0.002 0.000 0.233 744 L C 1.789 178.516 176.870 -0.238 0.000 1.156 744 L CA 0.841 55.373 54.840 -0.514 0.000 0.866 744 L CB -0.922 40.518 42.059 -1.033 0.000 0.980 744 L HN 0.826 nan 8.230 nan 0.000 0.448 745 T N -5.084 109.416 114.554 -0.090 0.000 3.176 745 T HA 0.192 4.541 4.350 -0.002 0.000 0.259 745 T C 1.826 176.550 174.700 0.041 0.000 0.978 745 T CA 0.441 62.532 62.100 -0.016 0.000 1.050 745 T CB -0.030 68.800 68.868 -0.064 0.000 1.136 745 T HN 0.073 nan 8.240 nan 0.000 0.465 746 A N 1.841 124.678 122.820 0.029 0.000 2.186 746 A HA 0.509 4.828 4.320 -0.002 0.000 0.219 746 A C 1.548 179.174 177.584 0.071 0.000 1.159 746 A CA 1.107 53.170 52.037 0.043 0.000 0.680 746 A CB -1.365 17.655 19.000 0.034 0.000 0.787 746 A HN 1.680 nan 8.150 nan 0.000 0.467 747 G N -1.451 107.410 108.800 0.103 0.000 2.662 747 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.686 747 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.686 747 G C 0.158 175.156 174.900 0.164 0.000 1.271 747 G CA 0.025 45.183 45.100 0.096 0.000 0.816 747 G HN 0.940 nan 8.290 nan 0.000 0.608 748 Q N -1.031 118.863 119.800 0.156 0.000 2.515 748 Q HA -0.002 4.337 4.340 -0.002 0.000 0.212 748 Q C 1.658 177.810 176.000 0.254 0.000 0.970 748 Q CA 1.901 57.893 55.803 0.316 0.000 0.941 748 Q CB -0.164 28.757 28.738 0.306 0.000 0.998 748 Q HN 0.568 nan 8.270 nan 0.000 0.518 749 T N 0.429 115.068 114.554 0.142 0.000 3.010 749 T HA 0.276 4.625 4.350 -0.002 0.000 0.252 749 T C 1.029 175.769 174.700 0.067 0.000 1.047 749 T CA 0.334 62.478 62.100 0.073 0.000 1.140 749 T CB 0.058 68.954 68.868 0.047 0.000 0.885 749 T HN 0.484 nan 8.240 nan 0.000 0.464 750 A N 3.347 126.228 122.820 0.101 0.000 2.409 750 A HA 0.432 4.751 4.320 -0.002 0.000 0.246 750 A C -1.986 175.677 177.584 0.132 0.000 1.099 750 A CA -0.999 51.092 52.037 0.090 0.000 0.789 750 A CB -0.362 18.687 19.000 0.082 0.000 1.053 750 A HN 0.194 nan 8.150 nan 0.000 0.503 751 P HA 0.350 nan 4.420 nan 0.000 0.276 751 P C -0.227 177.189 177.300 0.193 0.000 1.252 751 P CA 0.055 63.229 63.100 0.122 0.000 0.802 751 P CB 0.613 32.350 31.700 0.062 0.000 1.035 752 A N 1.008 123.981 122.820 0.255 0.000 2.561 752 A HA -0.021 4.298 4.320 -0.002 0.000 0.234 752 A C 0.428 178.042 177.584 0.050 0.000 1.055 752 A CA 0.224 52.373 52.037 0.186 0.000 0.756 752 A CB -0.671 18.450 19.000 0.201 0.000 0.986 752 A HN 0.625 nan 8.150 nan 0.000 0.505 753 E N 1.673 121.863 120.200 -0.016 0.000 2.073 753 E HA 0.341 4.690 4.350 -0.002 0.000 0.269 753 E C -0.094 176.420 176.600 -0.144 0.000 0.917 753 E CA -0.297 56.026 56.400 -0.128 0.000 0.757 753 E CB 0.548 30.101 29.700 -0.245 0.000 1.111 753 E HN 0.561 nan 8.360 nan 0.000 0.410 754 S N 1.954 117.587 115.700 -0.111 0.000 2.710 754 S HA -0.061 4.408 4.470 -0.002 0.000 0.224 754 S C 1.488 176.012 174.600 -0.127 0.000 0.948 754 S CA 0.290 58.449 58.200 -0.069 0.000 0.949 754 S CB 0.032 63.216 63.200 -0.027 0.000 0.778 754 S HN 0.579 nan 8.310 nan 0.000 0.498 755 S N 1.020 116.544 115.700 -0.294 0.000 2.371 755 S HA 0.072 4.541 4.470 -0.002 0.000 0.224 755 S C 0.461 174.919 174.600 -0.236 0.000 1.029 755 S CA 0.041 58.050 58.200 -0.318 0.000 0.978 755 S CB -0.729 62.191 63.200 -0.468 0.000 0.833 755 S HN 0.341 nan 8.310 nan 0.000 0.466 756 F N 2.798 122.714 119.950 -0.056 0.000 2.623 756 F HA 0.306 4.832 4.527 -0.002 0.000 0.383 756 F C 0.897 176.679 175.800 -0.030 0.000 1.077 756 F CA -0.309 57.660 58.000 -0.052 0.000 1.268 756 F CB -0.085 38.869 39.000 -0.077 0.000 1.053 756 F HN 0.289 nan 8.300 nan 0.000 0.571 757 E N 1.922 122.238 120.200 0.192 0.000 2.460 757 E HA 0.539 4.888 4.350 -0.002 0.000 0.249 757 E C -0.361 176.288 176.600 0.083 0.000 0.962 757 E CA -0.306 56.157 56.400 0.104 0.000 0.787 757 E CB 0.806 30.545 29.700 0.065 0.000 1.341 757 E HN 0.818 nan 8.360 nan 0.000 0.407 758 G N 2.620 111.459 108.800 0.065 0.000 2.730 758 G HA2 0.438 4.397 3.960 -0.002 0.000 0.289 758 G HA3 0.438 4.397 3.960 -0.002 0.000 0.289 758 G C -0.858 174.064 174.900 0.037 0.000 1.341 758 G CA -0.452 44.673 45.100 0.041 0.000 0.932 758 G HN 0.405 nan 8.290 nan 0.000 0.481 759 D N -1.464 118.956 120.400 0.032 0.000 2.712 759 D HA 0.499 5.138 4.640 -0.002 0.000 0.252 759 D C -0.353 175.968 176.300 0.035 0.000 1.123 759 D CA -0.309 53.711 54.000 0.034 0.000 1.109 759 D CB 1.973 42.792 40.800 0.033 0.000 1.313 759 D HN 0.148 nan 8.370 nan 0.000 0.629 760 V N 1.416 121.353 119.914 0.038 0.000 2.432 760 V HA 0.297 4.416 4.120 -0.002 0.000 0.275 760 V C 1.357 177.477 176.094 0.042 0.000 1.043 760 V CA -0.266 62.060 62.300 0.042 0.000 0.925 760 V CB 0.986 32.836 31.823 0.044 0.000 0.985 760 V HN 0.741 nan 8.190 nan 0.000 0.466 761 A N 4.887 127.735 122.820 0.047 0.000 1.873 761 A HA -0.149 4.170 4.320 -0.002 0.000 0.218 761 A C 1.505 179.113 177.584 0.041 0.000 1.193 761 A CA 1.470 53.535 52.037 0.046 0.000 0.629 761 A CB -0.136 18.898 19.000 0.055 0.000 0.826 761 A HN 0.729 nan 8.150 nan 0.000 0.447 762 R N 0.000 120.526 120.500 0.043 0.000 2.337 762 R HA 0.387 4.726 4.340 -0.002 0.000 0.319 762 R C 0.642 176.967 176.300 0.042 0.000 0.954 762 R CA 0.169 56.293 56.100 0.040 0.000 0.840 762 R CB 1.429 31.753 30.300 0.041 0.000 1.164 762 R HN 0.217 nan 8.270 nan 0.000 0.472 763 V N 0.222 120.159 119.914 0.038 0.000 2.970 763 V HA 0.058 4.177 4.120 -0.002 0.000 0.260 763 V C 0.532 176.652 176.094 0.044 0.000 1.100 763 V CA 0.795 63.119 62.300 0.039 0.000 1.122 763 V CB -0.129 31.714 31.823 0.033 0.000 0.721 763 V HN 0.509 nan 8.190 nan 0.000 0.483 764 T N 2.605 117.187 114.554 0.047 0.000 2.771 764 T HA 0.680 5.029 4.350 -0.002 0.000 0.281 764 T C -0.518 174.231 174.700 0.080 0.000 0.982 764 T CA -0.203 61.930 62.100 0.055 0.000 0.978 764 T CB 1.775 70.669 68.868 0.044 0.000 0.930 764 T HN 0.196 nan 8.240 nan 0.000 0.447 765 L N 2.804 124.094 121.223 0.112 0.000 2.307 765 L HA 0.746 5.085 4.340 -0.002 0.000 0.284 765 L C 0.551 177.559 176.870 0.229 0.000 1.023 765 L CA -0.694 54.261 54.840 0.191 0.000 0.810 765 L CB 1.621 43.822 42.059 0.236 0.000 1.231 765 L HN 0.787 nan 8.230 nan 0.000 0.423 766 G N 3.500 112.472 108.800 0.286 0.000 2.723 766 G HA2 0.689 4.648 3.960 -0.002 0.000 0.295 766 G HA3 0.689 4.648 3.960 -0.002 0.000 0.295 766 G C -1.348 173.776 174.900 0.372 0.000 1.464 766 G CA -0.237 44.994 45.100 0.218 0.000 1.012 766 G HN 0.436 nan 8.290 nan 0.000 0.522 767 F N 0.620 120.530 119.950 -0.067 0.000 2.693 767 F HA 0.789 5.315 4.527 -0.002 0.000 0.309 767 F C -3.190 172.286 175.800 -0.541 0.000 1.129 767 F CA -3.145 54.719 58.000 -0.227 0.000 0.948 767 F CB 0.848 39.775 39.000 -0.121 0.000 1.315 767 F HN 0.258 nan 8.300 nan 0.000 0.447 768 P HA 0.245 nan 4.420 nan 0.000 0.271 768 P C -0.352 176.910 177.300 -0.064 0.000 1.216 768 P CA -0.187 62.641 63.100 -0.453 0.000 0.776 768 P CB 1.461 32.995 31.700 -0.277 0.000 0.881 769 K N 1.715 122.035 120.400 -0.134 0.000 2.403 769 K HA 0.096 4.415 4.320 -0.002 0.000 0.199 769 K C 0.283 176.927 176.600 0.074 0.000 1.199 769 K CA 0.384 56.706 56.287 0.057 0.000 0.924 769 K CB 0.696 33.122 32.500 -0.124 0.000 1.137 769 K HN 0.623 nan 8.250 nan 0.000 0.510 770 E N -0.065 120.101 120.200 -0.055 0.000 2.447 770 E HA 0.285 4.634 4.350 -0.002 0.000 0.279 770 E C -1.271 175.213 176.600 -0.194 0.000 1.053 770 E CA -0.909 55.443 56.400 -0.079 0.000 0.840 770 E CB 1.133 30.804 29.700 -0.049 0.000 1.409 770 E HN -0.071 nan 8.360 nan 0.000 0.461 771 L N 1.389 122.482 121.223 -0.217 0.000 2.298 771 L HA 0.485 4.824 4.340 -0.002 0.000 0.284 771 L C -0.174 176.567 176.870 -0.215 0.000 1.013 771 L CA -1.085 53.507 54.840 -0.415 0.000 0.824 771 L CB 1.282 43.118 42.059 -0.371 0.000 1.221 771 L HN 0.329 nan 8.230 nan 0.000 0.418 772 R N 3.151 123.539 120.500 -0.186 0.000 2.309 772 R HA 0.211 4.550 4.340 -0.002 0.000 0.331 772 R C -0.416 176.008 176.300 0.207 0.000 1.116 772 R CA -0.192 55.931 56.100 0.038 0.000 0.970 772 R CB 1.153 31.496 30.300 0.071 0.000 1.024 772 R HN 0.409 nan 8.270 nan 0.000 0.472 773 V N 3.762 123.771 119.914 0.158 0.000 2.435 773 V HA 0.536 4.655 4.120 -0.002 0.000 0.290 773 V C -0.453 175.774 176.094 0.222 0.000 1.030 773 V CA -0.589 61.829 62.300 0.196 0.000 0.881 773 V CB 1.204 33.064 31.823 0.061 0.000 0.983 773 V HN 0.751 nan 8.190 nan 0.000 0.445 774 K N 3.598 124.161 120.400 0.272 0.000 2.477 774 K HA 0.762 5.081 4.320 -0.002 0.000 0.255 774 K C -1.251 175.546 176.600 0.328 0.000 0.952 774 K CA -0.664 55.801 56.287 0.297 0.000 0.826 774 K CB 2.209 34.836 32.500 0.213 0.000 1.331 774 K HN 0.587 nan 8.250 nan 0.000 0.437 775 S N 1.010 116.902 115.700 0.321 0.000 2.672 775 S HA 0.279 4.748 4.470 -0.002 0.000 0.291 775 S C -0.960 173.726 174.600 0.144 0.000 1.145 775 S CA -0.860 57.486 58.200 0.243 0.000 1.013 775 S CB 1.196 64.524 63.200 0.213 0.000 1.017 775 S HN 0.691 nan 8.310 nan 0.000 0.487 776 R N 3.885 124.436 120.500 0.087 0.000 2.502 776 R HA 0.167 4.506 4.340 -0.002 0.000 0.292 776 R C 0.791 177.091 176.300 0.000 0.000 0.998 776 R CA 0.195 56.306 56.100 0.020 0.000 1.056 776 R CB 0.124 30.426 30.300 0.003 0.000 0.939 776 R HN 0.588 nan 8.270 nan 0.000 0.411 777 V N 5.275 125.132 119.914 -0.095 0.000 2.302 777 V HA -0.090 4.029 4.120 -0.002 0.000 0.243 777 V C 1.242 177.305 176.094 -0.051 0.000 1.036 777 V CA 1.099 63.323 62.300 -0.127 0.000 1.020 777 V CB -0.385 31.249 31.823 -0.315 0.000 0.657 777 V HN 0.613 nan 8.190 nan 0.000 0.453 778 L N -0.183 120.990 121.223 -0.082 0.000 2.375 778 L HA 0.311 4.650 4.340 -0.002 0.000 0.271 778 L C 0.195 177.032 176.870 -0.056 0.000 1.107 778 L CA -0.462 54.342 54.840 -0.061 0.000 0.806 778 L CB 1.128 43.139 42.059 -0.079 0.000 1.146 778 L HN 0.258 nan 8.230 nan 0.000 0.447 800 A N 0.024 122.796 122.820 -0.081 0.000 2.348 800 A HA 0.581 4.900 4.320 -0.002 0.000 0.224 800 A C 0.743 178.237 177.584 -0.151 0.000 1.227 800 A CA 0.027 51.990 52.037 -0.123 0.000 0.885 800 A CB -0.512 18.357 19.000 -0.218 0.000 0.933 800 A HN 0.595 nan 8.150 nan 0.000 0.506 801 Y N 0.059 120.218 120.300 -0.234 0.000 2.468 801 Y HA 0.220 4.769 4.550 -0.002 0.000 0.268 801 Y C 1.070 177.088 175.900 0.198 0.000 1.177 801 Y CA -0.170 57.892 58.100 -0.064 0.000 1.265 801 Y CB -0.090 38.104 38.460 -0.444 0.000 1.103 801 Y HN 0.345 nan 8.280 nan 0.000 0.522 802 Q N 2.213 122.199 119.800 0.311 0.000 2.262 802 Q HA -0.012 4.327 4.340 -0.002 0.000 0.272 802 Q C 0.139 176.118 176.000 -0.034 0.000 1.076 802 Q CA 0.002 55.931 55.803 0.210 0.000 0.905 802 Q CB 0.411 29.247 28.738 0.164 0.000 1.182 802 Q HN 0.130 nan 8.270 nan 0.000 0.390 803 K N 6.836 127.022 120.400 -0.357 0.000 2.382 803 K HA 0.116 4.435 4.320 -0.002 0.000 0.286 803 K C -2.046 174.429 176.600 -0.209 0.000 1.062 803 K CA -1.350 54.517 56.287 -0.698 0.000 1.000 803 K CB 0.435 32.475 32.500 -0.766 0.000 0.954 803 K HN 0.424 nan 8.250 nan 0.000 0.470 804 P HA -0.098 nan 4.420 nan 0.000 0.267 804 P C -0.187 177.092 177.300 -0.035 0.000 1.201 804 P CA 0.108 63.214 63.100 0.010 0.000 0.775 804 P CB 0.725 32.469 31.700 0.073 0.000 0.854 805 D N 0.652 121.032 120.400 -0.033 0.000 2.249 805 D HA -0.051 4.588 4.640 -0.002 0.000 0.205 805 D C 0.695 176.974 176.300 -0.034 0.000 0.962 805 D CA 0.323 54.296 54.000 -0.046 0.000 0.860 805 D CB 0.319 41.094 40.800 -0.041 0.000 0.955 805 D HN 0.376 nan 8.370 nan 0.000 0.505 806 K N 1.148 121.539 120.400 -0.016 0.000 2.469 806 K HA -0.006 4.313 4.320 -0.002 0.000 0.274 806 K C -0.060 176.533 176.600 -0.012 0.000 0.983 806 K CA -0.172 56.108 56.287 -0.012 0.000 0.974 806 K CB 0.724 33.222 32.500 -0.002 0.000 0.913 806 K HN -0.158 nan 8.250 nan 0.000 0.493 807 R N 1.364 121.854 120.500 -0.016 0.000 2.679 807 R HA 0.171 4.510 4.340 -0.002 0.000 0.269 807 R C -0.620 175.675 176.300 -0.009 0.000 1.076 807 R CA -0.507 55.583 56.100 -0.017 0.000 1.160 807 R CB 0.946 31.233 30.300 -0.022 0.000 1.054 807 R HN 0.328 nan 8.270 nan 0.000 0.507 808 V N 1.837 121.747 119.914 -0.007 0.000 2.567 808 V HA 0.046 4.165 4.120 -0.002 0.000 0.289 808 V C 0.261 176.340 176.094 -0.025 0.000 1.049 808 V CA -0.549 61.748 62.300 -0.004 0.000 0.969 808 V CB 1.508 33.340 31.823 0.015 0.000 0.995 808 V HN 0.708 nan 8.190 nan 0.000 0.471 809 D N 2.572 122.953 120.400 -0.031 0.000 2.424 809 D HA 0.086 4.725 4.640 -0.002 0.000 0.244 809 D C 1.228 177.470 176.300 -0.096 0.000 1.134 809 D CA 0.032 54.002 54.000 -0.050 0.000 0.881 809 D CB 1.101 41.877 40.800 -0.039 0.000 1.191 809 D HN 0.455 nan 8.370 nan 0.000 0.445 810 I N 3.224 123.705 120.570 -0.147 0.000 2.248 810 I HA -0.300 3.869 4.170 -0.002 0.000 0.248 810 I C 2.114 178.024 176.117 -0.345 0.000 1.107 810 I CA 0.510 61.641 61.300 -0.282 0.000 1.373 810 I CB -0.086 37.631 38.000 -0.471 0.000 1.055 810 I HN 0.437 nan 8.210 nan 0.000 0.418 811 L N -0.062 120.987 121.223 -0.290 0.000 2.376 811 L HA -0.025 4.314 4.340 -0.002 0.000 0.219 811 L C 1.690 178.491 176.870 -0.116 0.000 1.133 811 L CA 1.641 56.341 54.840 -0.234 0.000 0.816 811 L CB -0.298 41.684 42.059 -0.129 0.000 0.933 811 L HN 0.218 nan 8.230 nan 0.000 0.449 812 L N -1.747 119.426 121.223 -0.085 0.000 3.014 812 L HA 0.336 4.675 4.340 -0.002 0.000 0.263 812 L C 1.045 177.900 176.870 -0.026 0.000 1.207 812 L CA -0.274 54.546 54.840 -0.033 0.000 1.017 812 L CB -0.040 42.007 42.059 -0.020 0.000 1.360 812 L HN 0.165 nan 8.230 nan 0.000 0.560 813 G N 0.416 109.176 108.800 -0.067 0.000 2.532 813 G HA2 0.272 4.231 3.960 -0.002 0.000 0.291 813 G HA3 0.272 4.231 3.960 -0.002 0.000 0.291 813 G C -1.567 173.287 174.900 -0.077 0.000 1.349 813 G CA -0.655 44.407 45.100 -0.064 0.000 1.038 813 G HN -0.106 nan 8.290 nan 0.000 0.518 814 P HA -0.076 nan 4.420 nan 0.000 0.218 814 P C 1.169 178.442 177.300 -0.046 0.000 1.146 814 P CA 1.186 64.090 63.100 -0.326 0.000 0.813 814 P CB 0.180 31.305 31.700 -0.959 0.000 0.778 815 L N -2.093 119.058 121.223 -0.120 0.000 2.766 815 L HA 0.312 4.651 4.340 -0.002 0.000 0.242 815 L C 2.531 179.198 176.870 -0.339 0.000 1.136 815 L CA 0.229 54.895 54.840 -0.291 0.000 0.933 815 L CB -0.665 41.215 42.059 -0.298 0.000 1.241 815 L HN -0.062 nan 8.230 nan 0.000 0.522 816 G N 2.059 110.763 108.800 -0.161 0.000 2.513 816 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.219 816 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.219 816 G C 1.396 176.256 174.900 -0.067 0.000 1.160 816 G CA 1.461 46.485 45.100 -0.128 0.000 0.767 816 G HN 0.500 nan 8.290 nan 0.000 0.571 817 F N 0.517 120.440 119.950 -0.045 0.000 2.171 817 F HA 0.101 4.627 4.527 -0.002 0.000 0.300 817 F C 2.232 178.058 175.800 0.042 0.000 1.090 817 F CA 0.902 58.897 58.000 -0.008 0.000 1.293 817 F CB -0.630 38.364 39.000 -0.011 0.000 1.013 817 F HN 0.094 nan 8.300 nan 0.000 0.486 818 L N 0.153 120.768 121.223 -1.012 0.000 2.072 818 L HA -0.098 4.241 4.340 -0.002 0.000 0.205 818 L C 2.641 179.466 176.870 -0.074 0.000 1.079 818 L CA 0.917 55.449 54.840 -0.513 0.000 0.752 818 L CB -0.590 41.008 42.059 -0.768 0.000 0.906 818 L HN 0.263 nan 8.230 nan 0.000 0.436 819 L N -0.317 120.827 121.223 -0.132 0.000 2.012 819 L HA -0.255 4.084 4.340 -0.002 0.000 0.210 819 L C 2.661 179.641 176.870 0.183 0.000 1.073 819 L CA 1.519 56.412 54.840 0.088 0.000 0.748 819 L CB -0.615 41.417 42.059 -0.046 0.000 0.891 819 L HN 0.240 nan 8.230 nan 0.000 0.431 820 K N -0.011 120.435 120.400 0.076 0.000 1.985 820 K HA -0.204 4.115 4.320 -0.002 0.000 0.210 820 K C 2.133 178.780 176.600 0.078 0.000 1.047 820 K CA 1.496 57.838 56.287 0.093 0.000 0.932 820 K CB -0.325 32.206 32.500 0.052 0.000 0.716 820 K HN 0.340 nan 8.250 nan 0.000 0.439 821 Q N -0.266 119.532 119.800 -0.003 0.000 2.152 821 Q HA -0.132 4.207 4.340 -0.002 0.000 0.206 821 Q C 0.950 176.717 176.000 -0.388 0.000 0.985 821 Q CA 1.478 57.151 55.803 -0.216 0.000 0.863 821 Q CB -0.007 28.534 28.738 -0.328 0.000 0.904 821 Q HN 0.274 nan 8.270 nan 0.000 0.422 822 F N -1.695 118.273 119.950 0.030 0.000 2.772 822 F HA 0.168 4.692 4.527 -0.003 0.000 0.302 822 F C 1.223 177.047 175.800 0.041 0.000 1.136 822 F CA -0.406 57.596 58.000 0.005 0.000 1.322 822 F CB 0.158 39.120 39.000 -0.063 0.000 0.967 822 F HN 0.076 nan 8.300 nan 0.000 0.513 823 H N 1.480 120.635 119.070 0.140 0.000 2.289 823 H HA -0.214 4.341 4.556 -0.001 0.000 0.296 823 H C 2.269 177.645 175.328 0.080 0.000 1.091 823 H CA 2.119 58.265 56.048 0.164 0.000 1.274 823 H CB -0.089 29.783 29.762 0.184 0.000 1.364 823 H HN 0.215 nan 8.280 nan 0.000 0.490 824 A N 0.547 123.340 122.820 -0.046 0.000 1.986 824 A HA -0.165 4.154 4.320 -0.002 0.000 0.220 824 A C 2.600 180.108 177.584 -0.126 0.000 1.171 824 A CA 2.211 54.171 52.037 -0.128 0.000 0.640 824 A CB -1.306 17.678 19.000 -0.027 0.000 0.811 824 A HN 0.667 nan 8.150 nan 0.000 0.451 825 A N -0.437 122.350 122.820 -0.056 0.000 1.898 825 A HA 0.127 4.446 4.320 -0.002 0.000 0.214 825 A C 2.072 179.550 177.584 -0.177 0.000 1.183 825 A CA 1.241 53.241 52.037 -0.062 0.000 0.622 825 A CB -0.423 18.604 19.000 0.045 0.000 0.824 825 A HN 0.489 nan 8.150 nan 0.000 0.444 826 I N -2.275 118.136 120.570 -0.265 0.000 2.277 826 I HA -0.038 4.131 4.170 -0.002 0.000 0.243 826 I C 0.065 175.685 176.117 -0.828 0.000 1.094 826 I CA 0.791 61.752 61.300 -0.565 0.000 1.393 826 I CB -0.082 37.499 38.000 -0.698 0.000 1.078 826 I HN 0.176 nan 8.210 nan 0.000 0.417 827 F N 2.319 122.079 119.950 -0.317 0.000 2.389 827 F HA 0.328 4.855 4.527 -0.000 0.000 0.327 827 F C -1.442 174.071 175.800 -0.479 0.000 1.204 827 F CA -2.852 54.874 58.000 -0.457 0.000 1.209 827 F CB -0.237 38.315 39.000 -0.746 0.000 1.460 827 F HN -0.138 nan 8.300 nan 0.000 0.537 828 P HA -0.232 nan 4.420 nan 0.000 0.215 828 P C 0.387 177.635 177.300 -0.087 0.000 1.163 828 P CA 1.779 64.804 63.100 -0.125 0.000 0.894 828 P CB 0.176 31.826 31.700 -0.085 0.000 0.791 829 N N -0.633 118.040 118.700 -0.045 0.000 2.378 829 N HA 0.090 4.829 4.740 -0.002 0.000 0.243 829 N C 1.243 176.763 175.510 0.016 0.000 1.137 829 N CA 0.208 53.252 53.050 -0.009 0.000 0.862 829 N CB -0.626 37.871 38.487 0.016 0.000 1.116 829 N HN 0.156 nan 8.380 nan 0.000 0.499 830 G N 0.667 109.434 108.800 -0.054 0.000 3.181 830 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.219 830 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.219 830 G C 0.320 175.358 174.900 0.230 0.000 1.182 830 G CA -0.345 44.730 45.100 -0.041 0.000 0.791 830 G HN 0.280 nan 8.290 nan 0.000 0.537 831 K N 1.609 122.074 120.400 0.108 0.000 2.237 831 K HA 0.421 4.740 4.320 -0.002 0.000 0.270 831 K C -2.393 174.094 176.600 -0.189 0.000 1.015 831 K CA -2.453 53.846 56.287 0.020 0.000 0.949 831 K CB 0.485 32.963 32.500 -0.036 0.000 0.976 831 K HN -0.057 nan 8.250 nan 0.000 0.472 832 P HA 0.133 nan 4.420 nan 0.000 0.274 832 P C -2.381 174.582 177.300 -0.562 0.000 1.256 832 P CA -1.448 60.849 63.100 -1.338 0.000 0.795 832 P CB -0.351 29.939 31.700 -2.349 0.000 1.038 833 P HA 0.094 nan 4.420 nan 0.000 0.269 833 P C 0.733 177.926 177.300 -0.178 0.000 1.252 833 P CA 0.799 63.793 63.100 -0.176 0.000 0.780 833 P CB -0.010 31.647 31.700 -0.072 0.000 0.829 834 G N 2.436 111.153 108.800 -0.139 0.000 2.909 834 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.198 834 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.198 834 G C 0.219 175.051 174.900 -0.113 0.000 1.124 834 G CA 0.106 45.139 45.100 -0.112 0.000 0.796 834 G HN 0.736 nan 8.290 nan 0.000 0.489 835 S N 1.241 116.845 115.700 -0.160 0.000 2.616 835 S HA 0.529 4.998 4.470 -0.002 0.000 0.277 835 S C 0.951 175.487 174.600 -0.106 0.000 1.234 835 S CA 0.407 58.529 58.200 -0.131 0.000 1.028 835 S CB 1.074 64.177 63.200 -0.162 0.000 0.988 835 S HN 0.869 nan 8.310 nan 0.000 0.522 836 N N 2.676 121.335 118.700 -0.068 0.000 2.234 836 N HA 0.092 4.831 4.740 -0.002 0.000 0.227 836 N C -0.558 174.932 175.510 -0.033 0.000 1.151 836 N CA -0.275 52.747 53.050 -0.047 0.000 0.865 836 N CB 0.315 38.781 38.487 -0.035 0.000 1.066 836 N HN 0.466 nan 8.380 nan 0.000 0.515 837 Q N 1.668 121.448 119.800 -0.034 0.000 2.341 837 Q HA 0.509 4.848 4.340 -0.002 0.000 0.268 837 Q C -2.794 173.229 176.000 0.038 0.000 1.013 837 Q CA -2.120 53.682 55.803 -0.001 0.000 0.798 837 Q CB 1.916 30.656 28.738 0.003 0.000 1.253 837 Q HN 0.021 nan 8.270 nan 0.000 0.457 838 P HA 0.010 nan 4.420 nan 0.000 0.258 838 P C -0.997 176.529 177.300 0.377 0.000 1.214 838 P CA 0.205 63.411 63.100 0.177 0.000 0.872 838 P CB 0.199 31.905 31.700 0.010 0.000 0.890 839 N N 5.964 124.872 118.700 0.348 0.000 2.546 839 N HA 0.125 4.864 4.740 -0.002 0.000 0.238 839 N C -1.518 174.054 175.510 0.104 0.000 0.984 839 N CA -2.395 50.805 53.050 0.249 0.000 0.935 839 N CB 1.365 39.978 38.487 0.210 0.000 1.122 839 N HN 0.120 nan 8.380 nan 0.000 0.510 840 P HA -0.186 nan 4.420 nan 0.000 0.215 840 P C 1.133 178.480 177.300 0.079 0.000 1.153 840 P CA 1.102 63.937 63.100 -0.442 0.000 0.853 840 P CB 0.611 32.175 31.700 -0.226 0.000 0.788 841 Q N -0.882 118.988 119.800 0.116 0.000 2.002 841 Q HA -0.191 4.148 4.340 -0.002 0.000 0.204 841 Q C 2.143 178.235 176.000 0.153 0.000 0.988 841 Q CA 1.751 57.637 55.803 0.139 0.000 0.843 841 Q CB -1.233 27.578 28.738 0.122 0.000 0.908 841 Q HN 0.345 nan 8.270 nan 0.000 0.420 842 W N 0.677 122.009 121.300 0.053 0.000 2.329 842 W HA -0.296 4.363 4.660 -0.002 0.000 0.324 842 W C 2.100 178.640 176.519 0.035 0.000 1.222 842 W CA 1.986 59.358 57.345 0.045 0.000 1.270 842 W CB -1.059 28.433 29.460 0.053 0.000 1.167 842 W HN 0.154 nan 8.180 nan 0.000 0.467 843 F N 0.068 119.902 119.950 -0.193 0.000 2.032 843 F HA -0.297 4.230 4.527 -0.000 0.000 0.297 843 F C 1.904 177.296 175.800 -0.681 0.000 1.125 843 F CA 2.853 60.490 58.000 -0.604 0.000 1.202 843 F CB -1.294 37.539 39.000 -0.279 0.000 0.958 843 F HN -0.055 nan 8.300 nan 0.000 0.491 844 W N 0.055 121.211 121.300 -0.239 0.000 2.525 844 W HA -0.099 4.560 4.660 -0.003 0.000 0.259 844 W C 2.435 178.759 176.519 -0.325 0.000 1.253 844 W CA 1.276 58.453 57.345 -0.281 0.000 1.262 844 W CB -0.698 28.713 29.460 -0.081 0.000 1.122 844 W HN -0.045 nan 8.180 nan 0.000 0.607 845 T N -0.315 114.133 114.554 -0.176 0.000 2.770 845 T HA -0.073 4.276 4.350 -0.002 0.000 0.258 845 T C 2.089 176.591 174.700 -0.330 0.000 1.039 845 T CA 1.572 63.559 62.100 -0.187 0.000 1.143 845 T CB -0.689 68.083 68.868 -0.161 0.000 0.866 845 T HN 0.122 nan 8.240 nan 0.000 0.428 846 A N 1.948 124.406 122.820 -0.604 0.000 1.930 846 A HA 0.043 4.362 4.320 -0.002 0.000 0.217 846 A C 2.245 179.494 177.584 -0.558 0.000 1.175 846 A CA 0.883 52.551 52.037 -0.615 0.000 0.627 846 A CB -0.795 17.633 19.000 -0.953 0.000 0.815 846 A HN 0.414 nan 8.150 nan 0.000 0.443 847 L N -0.298 120.488 121.223 -0.728 0.000 2.131 847 L HA -0.168 4.171 4.340 -0.002 0.000 0.210 847 L C 1.942 178.616 176.870 -0.325 0.000 1.092 847 L CA 2.191 56.629 54.840 -0.671 0.000 0.759 847 L CB -0.901 40.534 42.059 -1.040 0.000 0.903 847 L HN 0.539 nan 8.230 nan 0.000 0.435 848 Q N -0.880 118.796 119.800 -0.207 0.000 2.425 848 Q HA 0.005 4.344 4.340 -0.002 0.000 0.204 848 Q C 1.445 177.385 176.000 -0.101 0.000 0.933 848 Q CA 0.337 56.086 55.803 -0.090 0.000 0.939 848 Q CB 0.419 29.145 28.738 -0.020 0.000 1.044 848 Q HN 0.504 nan 8.270 nan 0.000 0.513 849 R N -0.424 119.990 120.500 -0.142 0.000 2.437 849 R HA 0.184 4.523 4.340 -0.002 0.000 0.257 849 R C 0.086 176.318 176.300 -0.113 0.000 0.927 849 R CA -0.022 56.012 56.100 -0.110 0.000 1.078 849 R CB 0.668 30.904 30.300 -0.107 0.000 1.161 849 R HN 0.102 nan 8.270 nan 0.000 0.529 850 N N 0.693 119.304 118.700 -0.149 0.000 2.984 850 N HA -0.192 4.547 4.740 -0.002 0.000 0.227 850 N C -0.221 175.205 175.510 -0.140 0.000 0.903 850 N CA 1.064 54.032 53.050 -0.137 0.000 0.995 850 N CB -0.942 37.492 38.487 -0.088 0.000 1.065 850 N HN 0.399 nan 8.380 nan 0.000 0.585 851 Q N 0.734 120.437 119.800 -0.161 0.000 2.283 851 Q HA 0.201 4.540 4.340 -0.002 0.000 0.223 851 Q C 0.411 176.306 176.000 -0.174 0.000 0.918 851 Q CA 0.288 56.012 55.803 -0.131 0.000 0.952 851 Q CB 0.184 28.853 28.738 -0.115 0.000 1.030 851 Q HN 0.409 nan 8.270 nan 0.000 0.452 852 L N 1.731 122.825 121.223 -0.216 0.000 2.275 852 L HA 0.377 4.716 4.340 -0.002 0.000 0.288 852 L C -2.183 174.653 176.870 -0.057 0.000 1.046 852 L CA -2.192 52.504 54.840 -0.241 0.000 0.805 852 L CB 1.117 42.941 42.059 -0.392 0.000 1.193 852 L HN -0.012 nan 8.230 nan 0.000 0.426 853 P HA -0.053 nan 4.420 nan 0.000 0.255 853 P C -0.521 176.808 177.300 0.049 0.000 1.161 853 P CA 0.077 63.236 63.100 0.099 0.000 0.768 853 P CB 0.384 32.193 31.700 0.181 0.000 0.746 854 A N 4.573 127.408 122.820 0.025 0.000 2.610 854 A HA -0.066 4.253 4.320 -0.002 0.000 0.250 854 A C 0.953 178.549 177.584 0.020 0.000 0.978 854 A CA 0.366 52.410 52.037 0.012 0.000 0.827 854 A CB -0.615 18.391 19.000 0.011 0.000 0.867 854 A HN 0.663 nan 8.150 nan 0.000 0.495 855 R N 0.471 120.978 120.500 0.012 0.000 2.788 855 R HA -0.183 4.156 4.340 -0.002 0.000 0.258 855 R C -0.188 176.134 176.300 0.037 0.000 0.895 855 R CA 1.337 57.448 56.100 0.020 0.000 0.702 855 R CB -1.650 28.660 30.300 0.018 0.000 1.661 855 R HN 1.292 nan 8.270 nan 0.000 0.520 856 L N 2.580 123.832 121.223 0.049 0.000 2.519 856 L HA 0.368 4.707 4.340 -0.002 0.000 0.194 856 L C -0.004 176.922 176.870 0.093 0.000 1.072 856 L CA 0.355 55.246 54.840 0.085 0.000 0.845 856 L CB 0.008 42.148 42.059 0.135 0.000 1.138 856 L HN 0.318 nan 8.230 nan 0.000 0.487 857 L N 2.145 123.419 121.223 0.085 0.000 2.667 857 L HA -0.002 4.337 4.340 -0.002 0.000 0.278 857 L C 1.160 178.082 176.870 0.087 0.000 1.217 857 L CA 0.655 55.554 54.840 0.098 0.000 0.935 857 L CB -1.347 40.744 42.059 0.054 0.000 1.193 857 L HN 0.309 nan 8.230 nan 0.000 0.493 858 S N 4.352 120.114 115.700 0.104 0.000 2.731 858 S HA 0.045 4.514 4.470 -0.002 0.000 0.249 858 S C 1.536 176.177 174.600 0.069 0.000 1.390 858 S CA -0.341 57.905 58.200 0.078 0.000 0.964 858 S CB 0.497 63.744 63.200 0.078 0.000 0.965 858 S HN 0.534 nan 8.310 nan 0.000 0.579 859 R N 0.612 121.144 120.500 0.053 0.000 2.161 859 R HA 0.100 4.439 4.340 -0.002 0.000 0.213 859 R C 1.352 177.686 176.300 0.056 0.000 1.055 859 R CA 0.883 57.010 56.100 0.046 0.000 0.996 859 R CB -0.561 29.757 30.300 0.030 0.000 0.901 859 R HN 0.542 nan 8.270 nan 0.000 0.456 860 E N 0.091 120.329 120.200 0.062 0.000 2.460 860 E HA 0.015 4.364 4.350 -0.002 0.000 0.200 860 E C 0.983 177.659 176.600 0.126 0.000 1.011 860 E CA 0.215 56.658 56.400 0.070 0.000 0.912 860 E CB 0.152 29.873 29.700 0.036 0.000 0.953 860 E HN 0.118 nan 8.360 nan 0.000 0.494 861 D N 0.647 121.144 120.400 0.161 0.000 2.117 861 D HA -0.110 4.529 4.640 -0.002 0.000 0.198 861 D C 1.738 178.205 176.300 0.279 0.000 0.982 861 D CA 0.709 54.881 54.000 0.287 0.000 0.828 861 D CB 0.037 41.023 40.800 0.310 0.000 0.967 861 D HN 0.127 nan 8.370 nan 0.000 0.464 862 I N 1.274 121.949 120.570 0.175 0.000 2.194 862 I HA -0.232 3.937 4.170 -0.002 0.000 0.246 862 I C 2.128 178.355 176.117 0.183 0.000 1.093 862 I CA 1.226 62.612 61.300 0.143 0.000 1.355 862 I CB -1.019 37.037 38.000 0.092 0.000 1.046 862 I HN 0.076 nan 8.210 nan 0.000 0.413 863 E N 0.227 120.536 120.200 0.182 0.000 2.110 863 E HA -0.157 4.192 4.350 -0.002 0.000 0.193 863 E C 2.141 178.934 176.600 0.321 0.000 0.988 863 E CA 1.849 58.374 56.400 0.208 0.000 0.804 863 E CB -0.039 29.748 29.700 0.146 0.000 0.745 863 E HN 0.452 nan 8.360 nan 0.000 0.458 864 T N 1.082 115.840 114.554 0.340 0.000 2.770 864 T HA -0.071 4.278 4.350 -0.002 0.000 0.258 864 T C 1.804 176.783 174.700 0.465 0.000 1.039 864 T CA 0.666 62.983 62.100 0.362 0.000 1.143 864 T CB -0.058 68.964 68.868 0.256 0.000 0.866 864 T HN 0.052 nan 8.240 nan 0.000 0.428 865 I N 2.270 123.131 120.570 0.486 0.000 2.185 865 I HA -0.219 3.950 4.170 -0.002 0.000 0.246 865 I C 2.895 179.237 176.117 0.374 0.000 1.088 865 I CA 1.444 63.025 61.300 0.467 0.000 1.347 865 I CB -1.818 36.307 38.000 0.208 0.000 1.041 865 I HN 0.183 nan 8.210 nan 0.000 0.415 866 A N 1.200 124.196 122.820 0.294 0.000 1.851 866 A HA -0.286 4.033 4.320 -0.002 0.000 0.216 866 A C 2.338 180.079 177.584 0.262 0.000 1.195 866 A CA 1.888 54.068 52.037 0.238 0.000 0.622 866 A CB -1.343 17.786 19.000 0.215 0.000 0.831 866 A HN 0.387 nan 8.150 nan 0.000 0.444 867 F N 1.100 121.145 119.950 0.157 0.000 2.063 867 F HA -0.280 4.247 4.527 -0.001 0.000 0.298 867 F C 1.992 177.847 175.800 0.091 0.000 1.109 867 F CA 2.005 60.073 58.000 0.113 0.000 1.212 867 F CB -0.279 38.731 39.000 0.016 0.000 0.973 867 F HN 0.193 nan 8.300 nan 0.000 0.480 868 I N 0.797 121.425 120.570 0.097 0.000 2.091 868 I HA -0.339 3.830 4.170 -0.002 0.000 0.239 868 I C 2.367 178.463 176.117 -0.035 0.000 1.061 868 I CA 1.804 63.091 61.300 -0.022 0.000 1.317 868 I CB -1.602 36.543 38.000 0.243 0.000 1.031 868 I HN 0.248 nan 8.210 nan 0.000 0.401 869 K N 0.437 120.885 120.400 0.080 0.000 2.113 869 K HA -0.231 4.088 4.320 -0.002 0.000 0.208 869 K C 2.185 178.788 176.600 0.006 0.000 1.047 869 K CA 1.423 57.740 56.287 0.050 0.000 0.928 869 K CB -0.149 32.417 32.500 0.109 0.000 0.716 869 K HN 0.278 nan 8.250 nan 0.000 0.446 870 K N 0.334 120.736 120.400 0.003 0.000 2.031 870 K HA -0.136 4.183 4.320 -0.002 0.000 0.205 870 K C 2.054 178.626 176.600 -0.047 0.000 1.049 870 K CA 1.034 57.315 56.287 -0.009 0.000 0.939 870 K CB -0.135 32.380 32.500 0.025 0.000 0.717 870 K HN 0.012 nan 8.250 nan 0.000 0.438 871 F N 1.803 121.592 119.950 -0.268 0.000 2.075 871 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 871 F C 2.246 177.954 175.800 -0.152 0.000 1.113 871 F CA 1.858 59.692 58.000 -0.276 0.000 1.218 871 F CB -0.495 38.212 39.000 -0.488 0.000 0.984 871 F HN -0.015 nan 8.300 nan 0.000 0.472 872 S N 0.748 116.410 115.700 -0.063 0.000 2.387 872 S HA -0.183 4.286 4.470 -0.002 0.000 0.230 872 S C 2.039 176.582 174.600 -0.094 0.000 1.035 872 S CA 1.260 59.401 58.200 -0.099 0.000 1.014 872 S CB -0.513 62.636 63.200 -0.086 0.000 0.836 872 S HN 0.274 nan 8.310 nan 0.000 0.466 873 L N 1.567 122.739 121.223 -0.085 0.000 2.072 873 L HA -0.052 4.287 4.340 -0.002 0.000 0.205 873 L C 1.864 178.682 176.870 -0.086 0.000 1.079 873 L CA 1.676 56.477 54.840 -0.065 0.000 0.752 873 L CB -1.416 40.619 42.059 -0.040 0.000 0.906 873 L HN 0.240 nan 8.230 nan 0.000 0.436 874 D N -1.164 119.161 120.400 -0.126 0.000 2.084 874 D HA -0.247 4.392 4.640 -0.002 0.000 0.196 874 D C 1.982 178.198 176.300 -0.139 0.000 0.985 874 D CA 1.194 55.121 54.000 -0.122 0.000 0.826 874 D CB -0.457 40.267 40.800 -0.127 0.000 0.978 874 D HN 0.246 nan 8.370 nan 0.000 0.456 875 Y N 1.775 121.825 120.300 -0.416 0.000 2.081 875 Y HA -0.223 4.326 4.550 -0.001 0.000 0.280 875 Y C 2.404 178.193 175.900 -0.184 0.000 1.163 875 Y CA 2.404 60.301 58.100 -0.339 0.000 1.135 875 Y CB -0.700 37.400 38.460 -0.600 0.000 0.970 875 Y HN -0.005 nan 8.280 nan 0.000 0.498 876 G N -0.249 108.574 108.800 0.038 0.000 2.469 876 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.220 876 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.220 876 G C 1.799 176.595 174.900 -0.174 0.000 1.136 876 G CA 1.177 46.257 45.100 -0.032 0.000 0.759 876 G HN 0.676 nan 8.290 nan 0.000 0.562 877 A N 1.013 123.739 122.820 -0.155 0.000 1.933 877 A HA 0.015 4.334 4.320 -0.002 0.000 0.218 877 A C 2.377 179.823 177.584 -0.230 0.000 1.175 877 A CA 1.616 53.554 52.037 -0.164 0.000 0.628 877 A CB -0.343 18.596 19.000 -0.102 0.000 0.814 877 A HN 0.825 nan 8.150 nan 0.000 0.444 878 I N -3.701 116.721 120.570 -0.246 0.000 3.941 878 I HA 0.141 4.310 4.170 -0.002 0.000 0.321 878 I C 0.594 176.478 176.117 -0.388 0.000 1.284 878 I CA -0.261 60.906 61.300 -0.222 0.000 1.226 878 I CB -0.283 37.654 38.000 -0.106 0.000 1.045 878 I HN 0.180 nan 8.210 nan 0.000 0.420 879 N N 1.881 120.253 118.700 -0.546 0.000 2.454 879 N HA -0.048 4.691 4.740 -0.002 0.000 0.260 879 N C -0.793 174.387 175.510 -0.550 0.000 1.218 879 N CA 0.557 53.293 53.050 -0.524 0.000 0.904 879 N CB 0.563 38.759 38.487 -0.484 0.000 1.065 879 N HN 0.278 nan 8.380 nan 0.000 0.462 880 F N 2.866 122.834 119.950 0.029 0.000 2.859 880 F HA 0.426 4.952 4.527 -0.002 0.000 0.324 880 F C -0.130 175.846 175.800 0.293 0.000 1.158 880 F CA -0.317 57.806 58.000 0.206 0.000 1.147 880 F CB 0.474 39.531 39.000 0.095 0.000 1.137 880 F HN 0.342 nan 8.300 nan 0.000 0.516 881 I N 0.883 121.567 120.570 0.190 0.000 2.371 881 I HA 0.143 4.312 4.170 -0.002 0.000 0.282 881 I C 0.873 176.869 176.117 -0.203 0.000 1.031 881 I CA -0.188 61.060 61.300 -0.087 0.000 1.180 881 I CB 0.900 38.681 38.000 -0.366 0.000 1.336 881 I HN 0.096 nan 8.210 nan 0.000 0.467 882 N N 7.852 126.254 118.700 -0.497 0.000 2.626 882 N HA 0.073 4.812 4.740 -0.002 0.000 0.226 882 N C -0.819 174.430 175.510 -0.435 0.000 1.376 882 N CA 0.309 52.838 53.050 -0.869 0.000 0.894 882 N CB 0.156 37.707 38.487 -1.559 0.000 1.218 882 N HN 0.505 nan 8.380 nan 0.000 0.492 883 L N 0.519 121.591 121.223 -0.252 0.000 2.422 883 L HA 0.495 4.834 4.340 -0.002 0.000 0.264 883 L C -0.435 176.484 176.870 0.082 0.000 0.984 883 L CA -0.973 53.805 54.840 -0.103 0.000 0.819 883 L CB 1.923 43.921 42.059 -0.102 0.000 1.330 883 L HN -0.086 nan 8.230 nan 0.000 0.410 884 A N 3.848 126.726 122.820 0.096 0.000 2.354 884 A HA 0.604 4.923 4.320 -0.002 0.000 0.281 884 A C -2.276 175.404 177.584 0.160 0.000 1.174 884 A CA -1.282 50.836 52.037 0.135 0.000 0.828 884 A CB -0.271 18.772 19.000 0.072 0.000 1.099 884 A HN 0.390 nan 8.150 nan 0.000 0.516 885 P HA 0.022 nan 4.420 nan 0.000 0.264 885 P C -0.275 176.825 177.300 -0.333 0.000 1.193 885 P CA -0.001 63.014 63.100 -0.142 0.000 0.763 885 P CB 0.695 32.288 31.700 -0.179 0.000 0.810 886 N N 1.888 120.319 118.700 -0.450 0.000 2.236 886 N HA 0.028 4.767 4.740 -0.002 0.000 0.196 886 N C -0.070 174.961 175.510 -0.798 0.000 1.114 886 N CA 0.182 52.954 53.050 -0.463 0.000 0.859 886 N CB 0.142 38.515 38.487 -0.191 0.000 0.982 886 N HN 0.621 nan 8.380 nan 0.000 0.493 887 N N -3.339 114.659 118.700 -1.170 0.000 3.185 887 N HA 0.085 4.824 4.740 -0.002 0.000 0.238 887 N C 0.362 175.459 175.510 -0.688 0.000 1.451 887 N CA -0.710 51.800 53.050 -0.901 0.000 0.888 887 N CB 0.849 39.144 38.487 -0.320 0.000 1.413 887 N HN -0.375 nan 8.380 nan 0.000 0.511 888 V N 0.278 120.097 119.914 -0.158 0.000 2.380 888 V HA -0.250 3.869 4.120 -0.002 0.000 0.251 888 V C 1.960 178.031 176.094 -0.038 0.000 1.063 888 V CA 2.515 64.835 62.300 0.035 0.000 1.055 888 V CB -0.994 30.905 31.823 0.126 0.000 0.657 888 V HN 0.773 nan 8.190 nan 0.000 0.455 889 S N -0.322 115.332 115.700 -0.077 0.000 2.353 889 S HA -0.276 4.193 4.470 -0.002 0.000 0.222 889 S C 1.915 176.427 174.600 -0.147 0.000 1.035 889 S CA 1.965 60.124 58.200 -0.068 0.000 1.025 889 S CB -0.340 62.820 63.200 -0.066 0.000 0.902 889 S HN 0.723 nan 8.310 nan 0.000 0.440 890 E N 0.575 120.590 120.200 -0.308 0.000 2.072 890 E HA -0.113 4.236 4.350 -0.002 0.000 0.191 890 E C 2.130 178.379 176.600 -0.585 0.000 0.985 890 E CA 0.828 56.864 56.400 -0.607 0.000 0.801 890 E CB -0.277 28.968 29.700 -0.760 0.000 0.750 890 E HN 0.239 nan 8.360 nan 0.000 0.452 891 L N 1.038 122.068 121.223 -0.321 0.000 2.081 891 L HA -0.196 4.143 4.340 -0.002 0.000 0.212 891 L C 2.129 179.093 176.870 0.157 0.000 1.080 891 L CA 2.092 56.910 54.840 -0.038 0.000 0.754 891 L CB -0.522 41.598 42.059 0.101 0.000 0.893 891 L HN 0.049 nan 8.230 nan 0.000 0.433 892 A N -1.233 121.661 122.820 0.123 0.000 1.872 892 A HA -0.117 4.202 4.320 -0.002 0.000 0.214 892 A C 2.154 179.895 177.584 0.260 0.000 1.187 892 A CA 1.724 53.903 52.037 0.237 0.000 0.614 892 A CB -0.432 18.673 19.000 0.175 0.000 0.826 892 A HN 0.433 nan 8.150 nan 0.000 0.442 893 M N -1.036 118.660 119.600 0.160 0.000 2.117 893 M HA -0.090 4.390 4.480 -0.002 0.000 0.262 893 M C 2.109 178.645 176.300 0.394 0.000 1.065 893 M CA 1.332 56.771 55.300 0.231 0.000 1.114 893 M CB -1.549 31.153 32.600 0.170 0.000 1.361 893 M HN 0.512 nan 8.290 nan 0.000 0.408 894 Y N -0.800 119.639 120.300 0.232 0.000 2.145 894 Y HA -0.244 4.305 4.550 -0.001 0.000 0.286 894 Y C 2.594 178.674 175.900 0.300 0.000 1.145 894 Y CA 0.931 59.182 58.100 0.252 0.000 1.148 894 Y CB -1.769 36.880 38.460 0.315 0.000 0.981 894 Y HN 0.264 nan 8.280 nan 0.000 0.507 895 Y N 0.302 120.882 120.300 0.466 0.000 2.165 895 Y HA -0.296 4.253 4.550 -0.001 0.000 0.286 895 Y C 2.709 178.737 175.900 0.213 0.000 1.155 895 Y CA 1.747 60.062 58.100 0.360 0.000 1.164 895 Y CB -0.626 38.093 38.460 0.431 0.000 0.978 895 Y HN 0.147 nan 8.280 nan 0.000 0.513 896 M N -0.439 119.246 119.600 0.141 0.000 2.117 896 M HA -0.156 4.323 4.480 -0.002 0.000 0.262 896 M C 2.217 178.520 176.300 0.005 0.000 1.065 896 M CA 2.053 57.359 55.300 0.011 0.000 1.114 896 M CB -0.307 32.387 32.600 0.157 0.000 1.361 896 M HN 0.349 nan 8.290 nan 0.000 0.408 897 A N 0.868 123.744 122.820 0.093 0.000 1.877 897 A HA -0.181 4.138 4.320 -0.002 0.000 0.216 897 A C 1.763 179.310 177.584 -0.062 0.000 1.186 897 A CA 1.924 53.966 52.037 0.009 0.000 0.620 897 A CB -0.970 18.078 19.000 0.079 0.000 0.822 897 A HN 0.630 nan 8.150 nan 0.000 0.443 898 N N -0.359 118.323 118.700 -0.030 0.000 2.223 898 N HA -0.127 4.612 4.740 -0.002 0.000 0.185 898 N C 1.777 177.230 175.510 -0.094 0.000 1.016 898 N CA 1.104 54.119 53.050 -0.058 0.000 0.863 898 N CB -0.238 38.167 38.487 -0.138 0.000 0.983 898 N HN 0.443 nan 8.380 nan 0.000 0.429 899 Q N 0.674 120.363 119.800 -0.186 0.000 2.123 899 Q HA 0.095 4.434 4.340 -0.002 0.000 0.199 899 Q C 2.249 178.205 176.000 -0.072 0.000 0.966 899 Q CA 0.492 56.186 55.803 -0.181 0.000 0.845 899 Q CB -0.110 28.435 28.738 -0.321 0.000 0.907 899 Q HN 0.461 nan 8.270 nan 0.000 0.439 900 I N 0.302 120.814 120.570 -0.096 0.000 2.394 900 I HA -0.236 3.933 4.170 -0.002 0.000 0.251 900 I C 2.104 178.171 176.117 -0.084 0.000 1.136 900 I CA 0.682 61.923 61.300 -0.097 0.000 1.425 900 I CB -0.147 37.740 38.000 -0.189 0.000 1.079 900 I HN 0.131 nan 8.210 nan 0.000 0.425 901 L N 0.139 121.296 121.223 -0.109 0.000 2.109 901 L HA -0.150 4.189 4.340 -0.002 0.000 0.207 901 L C 2.760 179.647 176.870 0.028 0.000 1.086 901 L CA 0.820 55.608 54.840 -0.088 0.000 0.760 901 L CB -0.547 41.440 42.059 -0.121 0.000 0.910 901 L HN 0.231 nan 8.230 nan 0.000 0.437 902 R N -0.228 120.301 120.500 0.048 0.000 2.092 902 R HA -0.233 4.106 4.340 -0.002 0.000 0.231 902 R C 2.254 178.573 176.300 0.032 0.000 1.119 902 R CA 1.596 57.728 56.100 0.053 0.000 0.970 902 R CB -0.601 29.717 30.300 0.030 0.000 0.864 902 R HN 0.296 nan 8.270 nan 0.000 0.440 903 Y N 0.266 120.508 120.300 -0.097 0.000 2.274 903 Y HA -0.186 4.363 4.550 -0.002 0.000 0.290 903 Y C 1.912 177.705 175.900 -0.178 0.000 1.145 903 Y CA 1.480 59.488 58.100 -0.154 0.000 1.203 903 Y CB -0.156 38.193 38.460 -0.184 0.000 0.984 903 Y HN 0.084 nan 8.280 nan 0.000 0.533 904 C N 1.278 120.655 119.300 0.128 0.000 2.673 904 C HA 0.112 4.571 4.460 -0.002 0.000 0.274 904 C C 0.138 175.136 174.990 0.013 0.000 1.276 904 C CA -0.074 58.999 59.018 0.092 0.000 1.701 904 C CB -1.432 26.379 27.740 0.118 0.000 1.836 904 C HN 0.522 nan 8.230 nan 0.000 0.596 905 D N 0.438 120.824 120.400 -0.022 0.000 2.723 905 D HA -0.193 4.446 4.640 -0.002 0.000 0.236 905 D C 0.050 176.302 176.300 -0.079 0.000 1.138 905 D CA 1.002 54.970 54.000 -0.052 0.000 0.676 905 D CB -1.341 39.414 40.800 -0.076 0.000 1.069 905 D HN 0.714 nan 8.370 nan 0.000 0.430 906 H N 0.292 119.267 119.070 -0.159 0.000 2.707 906 H HA 0.433 4.988 4.556 -0.002 0.000 0.359 906 H C 0.340 175.415 175.328 -0.422 0.000 1.113 906 H CA 0.975 56.838 56.048 -0.308 0.000 1.422 906 H CB 0.685 30.204 29.762 -0.405 0.000 1.443 906 H HN 0.143 nan 8.280 nan 0.000 0.591 907 S N 1.653 116.657 115.700 -1.160 0.000 2.625 907 S HA 0.385 4.854 4.470 -0.002 0.000 0.271 907 S C 0.313 174.433 174.600 -0.800 0.000 1.161 907 S CA -0.175 57.575 58.200 -0.751 0.000 0.820 907 S CB 1.512 64.507 63.200 -0.342 0.000 1.137 907 S HN 0.881 nan 8.310 nan 0.000 0.470 908 T N -0.657 113.650 114.554 -0.411 0.000 12.209 908 T HA -0.251 4.098 4.350 -0.002 0.000 0.417 908 T C -0.166 174.213 174.700 -0.534 0.000 1.458 908 T CA 2.383 64.155 62.100 -0.547 0.000 2.409 908 T CB -2.142 66.141 68.868 -0.975 0.000 2.842 908 T HN 0.813 nan 8.240 nan 0.000 0.841 909 Y N 0.215 120.432 120.300 -0.137 0.000 2.446 909 Y HA 0.682 5.231 4.550 -0.002 0.000 0.338 909 Y C 0.284 176.311 175.900 0.211 0.000 1.055 909 Y CA -2.115 56.007 58.100 0.036 0.000 1.101 909 Y CB 0.567 39.125 38.460 0.164 0.000 1.221 909 Y HN 0.098 nan 8.280 nan 0.000 0.460 910 F N 2.836 123.101 119.950 0.524 0.000 2.410 910 F HA 0.307 4.833 4.527 -0.002 0.000 0.334 910 F C 0.772 176.770 175.800 0.329 0.000 1.134 910 F CA -1.079 57.157 58.000 0.393 0.000 1.227 910 F CB 0.339 39.470 39.000 0.219 0.000 1.194 910 F HN 0.330 nan 8.300 nan 0.000 0.571 911 I N -0.369 120.434 120.570 0.388 0.000 2.934 911 I HA 0.449 4.618 4.170 -0.002 0.000 0.315 911 I C -0.475 175.766 176.117 0.208 0.000 0.997 911 I CA -0.942 60.474 61.300 0.192 0.000 1.184 911 I CB 0.873 38.872 38.000 -0.003 0.000 1.400 911 I HN 0.407 nan 8.210 nan 0.000 0.549 912 N N 1.242 120.049 118.700 0.177 0.000 2.514 912 N HA 0.367 5.106 4.740 -0.002 0.000 0.277 912 N C -0.597 174.924 175.510 0.018 0.000 1.126 912 N CA -0.206 52.924 53.050 0.132 0.000 0.978 912 N CB 1.153 39.727 38.487 0.144 0.000 1.106 912 N HN 0.799 nan 8.380 nan 0.000 0.461 913 T N -0.889 113.577 114.554 -0.145 0.000 2.942 913 T HA 0.633 4.982 4.350 -0.002 0.000 0.289 913 T C -0.461 173.960 174.700 -0.465 0.000 1.044 913 T CA -0.953 60.984 62.100 -0.272 0.000 1.023 913 T CB 0.847 69.551 68.868 -0.273 0.000 1.123 913 T HN 0.139 nan 8.240 nan 0.000 0.512 914 L N 1.097 122.001 121.223 -0.531 0.000 2.346 914 L HA 0.667 5.006 4.340 -0.002 0.000 0.276 914 L C -0.191 176.411 176.870 -0.446 0.000 1.006 914 L CA -0.802 53.669 54.840 -0.614 0.000 0.817 914 L CB 2.339 43.997 42.059 -0.667 0.000 1.272 914 L HN 0.781 nan 8.230 nan 0.000 0.421 915 T N 1.701 115.937 114.554 -0.530 0.000 2.881 915 T HA 0.656 5.005 4.350 -0.002 0.000 0.290 915 T C -0.532 174.072 174.700 -0.160 0.000 1.000 915 T CA -0.469 61.388 62.100 -0.406 0.000 0.978 915 T CB 1.944 70.395 68.868 -0.696 0.000 0.997 915 T HN 0.650 nan 8.240 nan 0.000 0.443 916 A N 3.461 126.276 122.820 -0.010 0.000 2.312 916 A HA 0.788 5.107 4.320 -0.002 0.000 0.326 916 A C -0.479 177.185 177.584 0.134 0.000 1.172 916 A CA -0.669 51.422 52.037 0.090 0.000 0.821 916 A CB 0.437 19.483 19.000 0.077 0.000 1.166 916 A HN 0.706 nan 8.150 nan 0.000 0.493 917 I N 3.602 124.275 120.570 0.171 0.000 2.371 917 I HA 0.226 4.395 4.170 -0.002 0.000 0.282 917 I C -0.639 175.623 176.117 0.242 0.000 1.031 917 I CA -0.528 60.891 61.300 0.198 0.000 1.180 917 I CB 0.432 38.495 38.000 0.105 0.000 1.336 917 I HN 0.390 nan 8.210 nan 0.000 0.467 918 I N 5.007 125.706 120.570 0.214 0.000 2.496 918 I HA 0.206 4.375 4.170 -0.002 0.000 0.285 918 I C 0.999 177.214 176.117 0.165 0.000 1.080 918 I CA 0.125 61.515 61.300 0.149 0.000 1.404 918 I CB 0.922 38.967 38.000 0.075 0.000 1.403 918 I HN 0.604 nan 8.210 nan 0.000 0.539 919 A N 5.580 128.434 122.820 0.056 0.000 2.347 919 A HA 0.715 5.034 4.320 -0.002 0.000 0.287 919 A C 0.472 177.871 177.584 -0.309 0.000 1.199 919 A CA 0.063 51.967 52.037 -0.222 0.000 0.851 919 A CB -0.340 18.598 19.000 -0.104 0.000 1.118 919 A HN 0.841 nan 8.150 nan 0.000 0.525 920 G N 0.718 109.275 108.800 -0.404 0.000 3.013 920 G HA2 0.729 4.688 3.960 -0.002 0.000 0.278 920 G HA3 0.729 4.688 3.960 -0.002 0.000 0.278 920 G C -0.331 174.422 174.900 -0.245 0.000 1.353 920 G CA 0.093 45.041 45.100 -0.253 0.000 1.043 920 G HN 1.594 nan 8.290 nan 0.000 0.523 921 S N -1.479 114.148 115.700 -0.120 0.000 2.638 921 S HA 0.900 5.369 4.470 -0.002 0.000 0.274 921 S C -0.681 174.000 174.600 0.135 0.000 1.157 921 S CA -0.778 57.413 58.200 -0.016 0.000 0.826 921 S CB 2.583 65.759 63.200 -0.039 0.000 1.139 921 S HN 1.464 nan 8.310 nan 0.000 0.474 922 R N -0.649 120.037 120.500 0.311 0.000 2.774 922 R HA 0.514 4.853 4.340 -0.002 0.000 0.279 922 R C -1.510 174.995 176.300 0.341 0.000 1.022 922 R CA -1.177 55.158 56.100 0.390 0.000 0.855 922 R CB 0.419 30.829 30.300 0.184 0.000 1.279 922 R HN 0.501 nan 8.270 nan 0.000 0.485 923 R N 0.602 121.165 120.500 0.105 0.000 2.643 923 R HA 0.219 4.558 4.340 -0.002 0.000 0.270 923 R C -2.187 174.110 176.300 -0.006 0.000 1.061 923 R CA -1.942 54.069 56.100 -0.148 0.000 1.107 923 R CB -0.274 29.881 30.300 -0.243 0.000 0.999 923 R HN 0.478 nan 8.270 nan 0.000 0.460 924 P HA -0.052 nan 4.420 nan 0.000 0.257 924 P C -1.671 175.645 177.300 0.027 0.000 1.162 924 P CA -0.364 62.774 63.100 0.063 0.000 0.762 924 P CB 0.246 32.009 31.700 0.104 0.000 0.753 925 P HA -0.046 nan 4.420 nan 0.000 0.247 925 P C -0.324 176.980 177.300 0.007 0.000 1.225 925 P CA 0.720 63.831 63.100 0.018 0.000 0.768 925 P CB 0.267 31.980 31.700 0.021 0.000 1.020 926 S N -3.140 112.561 115.700 0.001 0.000 2.643 926 S HA 0.200 4.669 4.470 -0.002 0.000 0.266 926 S C 0.544 175.148 174.600 0.007 0.000 1.130 926 S CA -0.684 57.516 58.200 0.001 0.000 0.817 926 S CB 0.680 63.870 63.200 -0.018 0.000 1.107 926 S HN -0.254 nan 8.310 nan 0.000 0.471 927 V N 1.615 121.555 119.914 0.044 0.000 2.379 927 V HA -0.106 4.013 4.120 -0.002 0.000 0.245 927 V C 2.853 178.996 176.094 0.082 0.000 1.044 927 V CA 1.905 64.273 62.300 0.113 0.000 1.036 927 V CB -0.945 31.001 31.823 0.205 0.000 0.664 927 V HN 0.842 nan 8.190 nan 0.000 0.453 928 Q N 0.289 120.047 119.800 -0.070 0.000 2.096 928 Q HA -0.280 4.059 4.340 -0.002 0.000 0.208 928 Q C 2.389 178.187 176.000 -0.336 0.000 0.993 928 Q CA 2.316 57.889 55.803 -0.383 0.000 0.862 928 Q CB -0.640 27.908 28.738 -0.317 0.000 0.915 928 Q HN 0.652 nan 8.270 nan 0.000 0.416 929 A N 0.023 122.708 122.820 -0.226 0.000 2.178 929 A HA -0.009 4.310 4.320 -0.002 0.000 0.218 929 A C 1.921 179.210 177.584 -0.491 0.000 1.157 929 A CA 1.555 53.426 52.037 -0.276 0.000 0.689 929 A CB -0.255 18.663 19.000 -0.136 0.000 0.787 929 A HN 0.359 nan 8.150 nan 0.000 0.465 930 A N -1.211 121.404 122.820 -0.341 0.000 2.303 930 A HA 0.569 4.888 4.320 -0.002 0.000 0.217 930 A C 2.111 179.499 177.584 -0.326 0.000 1.205 930 A CA 1.095 52.904 52.037 -0.381 0.000 0.875 930 A CB -0.568 18.441 19.000 0.014 0.000 0.910 930 A HN 0.878 nan 8.150 nan 0.000 0.501 931 A N 0.882 123.570 122.820 -0.220 0.000 1.882 931 A HA -0.116 4.203 4.320 -0.002 0.000 0.220 931 A C 2.395 179.968 177.584 -0.019 0.000 1.253 931 A CA 2.517 54.556 52.037 0.003 0.000 0.664 931 A CB -1.285 17.640 19.000 -0.125 0.000 0.838 931 A HN 1.332 nan 8.150 nan 0.000 0.460 932 A N -2.678 119.976 122.820 -0.277 0.000 2.234 932 A HA -0.085 4.234 4.320 -0.002 0.000 0.216 932 A C 1.586 179.149 177.584 -0.035 0.000 1.167 932 A CA 1.339 53.250 52.037 -0.210 0.000 0.698 932 A CB -0.675 18.099 19.000 -0.376 0.000 0.779 932 A HN 0.813 nan 8.150 nan 0.000 0.475 933 W N -0.768 120.602 121.300 0.116 0.000 3.103 933 W HA 0.321 4.980 4.660 -0.002 0.000 0.325 933 W C 1.067 177.625 176.519 0.065 0.000 1.170 933 W CA -0.495 56.887 57.345 0.061 0.000 1.712 933 W CB -1.177 28.262 29.460 -0.035 0.000 1.068 933 W HN 0.280 nan 8.180 nan 0.000 0.592 934 S N 1.464 117.294 115.700 0.217 0.000 2.573 934 S HA 0.199 4.668 4.470 -0.002 0.000 0.297 934 S C 1.408 176.055 174.600 0.078 0.000 1.280 934 S CA 0.739 58.974 58.200 0.059 0.000 1.061 934 S CB 1.271 64.414 63.200 -0.096 0.000 0.812 934 S HN 0.181 nan 8.310 nan 0.000 0.500 935 A N 4.182 127.032 122.820 0.051 0.000 2.072 935 A HA 0.179 4.498 4.320 -0.002 0.000 0.216 935 A C 0.737 178.325 177.584 0.006 0.000 1.156 935 A CA 0.553 52.634 52.037 0.073 0.000 0.701 935 A CB -0.123 18.926 19.000 0.081 0.000 0.816 935 A HN 0.782 nan 8.150 nan 0.000 0.458 936 Q N -0.953 118.800 119.800 -0.079 0.000 2.325 936 Q HA 0.563 4.902 4.340 -0.002 0.000 0.262 936 Q C 0.751 176.571 176.000 -0.300 0.000 0.968 936 Q CA 0.497 56.222 55.803 -0.129 0.000 0.877 936 Q CB 1.628 30.304 28.738 -0.102 0.000 1.253 936 Q HN 0.225 nan 8.270 nan 0.000 0.448 937 G N 1.236 109.846 108.800 -0.316 0.000 2.944 937 G HA2 0.192 4.151 3.960 -0.002 0.000 0.220 937 G HA3 0.192 4.151 3.960 -0.002 0.000 0.220 937 G C 0.726 175.365 174.900 -0.435 0.000 1.100 937 G CA 0.339 45.121 45.100 -0.529 0.000 0.780 937 G HN 0.682 nan 8.290 nan 0.000 0.539 938 G N 1.123 109.760 108.800 -0.271 0.000 2.937 938 G HA2 0.290 4.249 3.960 -0.002 0.000 0.160 938 G HA3 0.290 4.249 3.960 -0.002 0.000 0.160 938 G C 1.744 176.577 174.900 -0.112 0.000 1.863 938 G CA 1.092 46.048 45.100 -0.241 0.000 0.941 938 G HN 0.461 nan 8.290 nan 0.000 0.419 939 A N -0.586 122.337 122.820 0.172 0.000 2.067 939 A HA 0.308 4.627 4.320 -0.002 0.000 0.217 939 A C 2.252 179.826 177.584 -0.017 0.000 1.156 939 A CA 1.645 53.764 52.037 0.137 0.000 0.683 939 A CB -0.395 18.681 19.000 0.128 0.000 0.808 939 A HN 0.833 nan 8.150 nan 0.000 0.455 940 G N -0.703 108.062 108.800 -0.059 0.000 3.233 940 G HA2 0.255 4.214 3.960 -0.002 0.000 0.227 940 G HA3 0.255 4.214 3.960 -0.002 0.000 0.227 940 G C 1.077 175.867 174.900 -0.184 0.000 1.175 940 G CA 0.447 45.483 45.100 -0.105 0.000 0.781 940 G HN 0.348 nan 8.290 nan 0.000 0.542 941 L N 1.090 122.170 121.223 -0.238 0.000 1.943 941 L HA -0.067 4.272 4.340 -0.002 0.000 0.215 941 L C 2.514 179.136 176.870 -0.414 0.000 1.074 941 L CA 2.691 57.340 54.840 -0.320 0.000 0.759 941 L CB -0.720 41.161 42.059 -0.297 0.000 0.888 941 L HN 0.386 nan 8.230 nan 0.000 0.433 942 E N -1.069 118.760 120.200 -0.617 0.000 2.267 942 E HA -0.207 4.142 4.350 -0.002 0.000 0.197 942 E C 1.857 178.144 176.600 -0.521 0.000 0.998 942 E CA 1.052 56.840 56.400 -1.019 0.000 0.830 942 E CB -0.096 28.993 29.700 -1.018 0.000 0.751 942 E HN 0.646 nan 8.360 nan 0.000 0.491 943 A N 0.280 122.912 122.820 -0.313 0.000 1.903 943 A HA 0.099 4.418 4.320 -0.002 0.000 0.213 943 A C 2.395 179.890 177.584 -0.149 0.000 1.185 943 A CA 1.014 52.939 52.037 -0.186 0.000 0.628 943 A CB -0.909 18.013 19.000 -0.131 0.000 0.830 943 A HN 0.410 nan 8.150 nan 0.000 0.446 944 G N -0.032 108.672 108.800 -0.160 0.000 2.440 944 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.218 944 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.218 944 G C 1.734 176.582 174.900 -0.087 0.000 1.154 944 G CA 1.604 46.638 45.100 -0.110 0.000 0.767 944 G HN 0.747 nan 8.290 nan 0.000 0.552 945 A N 0.630 123.381 122.820 -0.115 0.000 1.865 945 A HA -0.047 4.272 4.320 -0.002 0.000 0.217 945 A C 2.376 179.946 177.584 -0.023 0.000 1.191 945 A CA 1.865 53.887 52.037 -0.024 0.000 0.623 945 A CB -0.552 18.491 19.000 0.072 0.000 0.826 945 A HN 0.330 nan 8.150 nan 0.000 0.444 946 R N -0.786 119.676 120.500 -0.063 0.000 2.091 946 R HA -0.162 4.177 4.340 -0.002 0.000 0.238 946 R C 2.438 178.724 176.300 -0.023 0.000 1.136 946 R CA 1.377 57.454 56.100 -0.037 0.000 0.959 946 R CB -0.411 29.852 30.300 -0.063 0.000 0.856 946 R HN 0.536 nan 8.270 nan 0.000 0.437 947 A N 1.180 123.982 122.820 -0.030 0.000 1.902 947 A HA -0.165 4.154 4.320 -0.002 0.000 0.217 947 A C 2.047 179.638 177.584 0.012 0.000 1.181 947 A CA 0.989 53.023 52.037 -0.005 0.000 0.623 947 A CB -0.647 18.350 19.000 -0.004 0.000 0.818 947 A HN 0.306 nan 8.150 nan 0.000 0.443 948 L N -0.661 120.545 121.223 -0.027 0.000 2.013 948 L HA -0.188 4.151 4.340 -0.002 0.000 0.212 948 L C 2.331 179.163 176.870 -0.064 0.000 1.073 948 L CA 2.303 57.070 54.840 -0.122 0.000 0.753 948 L CB -0.911 41.052 42.059 -0.160 0.000 0.890 948 L HN 0.346 nan 8.230 nan 0.000 0.432 949 M N -0.894 118.693 119.600 -0.021 0.000 2.175 949 M HA -0.181 4.299 4.480 -0.002 0.000 0.264 949 M C 1.917 178.222 176.300 0.009 0.000 1.063 949 M CA 1.238 56.536 55.300 -0.004 0.000 1.119 949 M CB -1.388 31.216 32.600 0.007 0.000 1.377 949 M HN 0.259 nan 8.290 nan 0.000 0.415 950 D N 0.299 120.709 120.400 0.017 0.000 2.218 950 D HA -0.027 4.612 4.640 -0.002 0.000 0.204 950 D C 0.690 177.013 176.300 0.039 0.000 0.976 950 D CA 1.001 55.014 54.000 0.022 0.000 0.853 950 D CB 0.386 41.198 40.800 0.019 0.000 0.939 950 D HN 0.313 nan 8.370 nan 0.000 0.481 951 A N 0.014 122.880 122.820 0.077 0.000 2.749 951 A HA 0.249 4.568 4.320 -0.002 0.000 0.299 951 A C 1.508 179.194 177.584 0.171 0.000 1.105 951 A CA -0.280 51.820 52.037 0.105 0.000 0.987 951 A CB 0.277 19.353 19.000 0.127 0.000 1.180 951 A HN 0.002 nan 8.150 nan 0.000 0.528 952 V N 0.291 120.265 119.914 0.099 0.000 2.317 952 V HA -0.349 3.770 4.120 -0.002 0.000 0.251 952 V C 1.988 178.100 176.094 0.030 0.000 1.065 952 V CA 3.035 65.370 62.300 0.059 0.000 1.049 952 V CB -0.456 31.316 31.823 -0.085 0.000 0.651 952 V HN 0.766 nan 8.190 nan 0.000 0.450 953 D N -0.122 120.275 120.400 -0.004 0.000 2.228 953 D HA -0.146 4.493 4.640 -0.002 0.000 0.203 953 D C 2.037 178.328 176.300 -0.016 0.000 0.988 953 D CA 1.401 55.396 54.000 -0.008 0.000 0.864 953 D CB -0.264 40.540 40.800 0.008 0.000 0.928 953 D HN 0.578 nan 8.370 nan 0.000 0.469 954 A N -0.155 122.626 122.820 -0.066 0.000 2.119 954 A HA -0.042 4.277 4.320 -0.002 0.000 0.216 954 A C 0.136 177.500 177.584 -0.367 0.000 1.152 954 A CA 0.633 52.537 52.037 -0.222 0.000 0.708 954 A CB -0.308 18.501 19.000 -0.317 0.000 0.805 954 A HN 0.278 nan 8.150 nan 0.000 0.460 955 H N -0.113 118.935 119.070 -0.038 0.000 2.724 955 H HA 0.267 4.821 4.556 -0.002 0.000 0.278 955 H C -1.825 173.470 175.328 -0.055 0.000 1.159 955 H CA -1.884 54.129 56.048 -0.058 0.000 1.254 955 H CB 0.790 30.493 29.762 -0.098 0.000 1.412 955 H HN 0.211 nan 8.280 nan 0.000 0.488 956 P HA -0.077 nan 4.420 nan 0.000 0.230 956 P C 1.150 178.640 177.300 0.316 0.000 1.158 956 P CA 0.901 64.144 63.100 0.237 0.000 0.769 956 P CB 0.416 32.226 31.700 0.184 0.000 0.807 957 G N -0.505 108.368 108.800 0.122 0.000 3.393 957 G HA2 0.318 4.277 3.960 -0.002 0.000 0.255 957 G HA3 0.318 4.277 3.960 -0.002 0.000 0.255 957 G C 0.714 175.437 174.900 -0.294 0.000 1.097 957 G CA 0.094 45.224 45.100 0.050 0.000 0.780 957 G HN 0.342 nan 8.290 nan 0.000 0.540 958 A N 0.567 123.177 122.820 -0.351 0.000 3.126 958 A HA 0.617 4.936 4.320 -0.002 0.000 0.268 958 A C -0.711 176.537 177.584 -0.561 0.000 1.605 958 A CA -0.638 51.026 52.037 -0.623 0.000 1.305 958 A CB -0.392 18.382 19.000 -0.378 0.000 1.160 958 A HN 0.329 nan 8.150 nan 0.000 0.609 959 W N -0.924 120.243 121.300 -0.222 0.000 2.894 959 W HA 0.719 5.378 4.660 -0.002 0.000 0.345 959 W C 0.197 176.738 176.519 0.037 0.000 1.152 959 W CA -0.349 56.971 57.345 -0.041 0.000 1.089 959 W CB 1.603 31.043 29.460 -0.034 0.000 1.454 959 W HN 0.162 nan 8.180 nan 0.000 0.589 960 T N 0.696 115.447 114.554 0.328 0.000 2.982 960 T HA 0.333 4.682 4.350 -0.002 0.000 0.321 960 T C -0.562 174.212 174.700 0.123 0.000 1.229 960 T CA -0.770 61.459 62.100 0.215 0.000 1.044 960 T CB 1.166 70.147 68.868 0.189 0.000 1.184 960 T HN 0.428 nan 8.240 nan 0.000 0.477 961 S N 3.413 119.147 115.700 0.057 0.000 2.580 961 S HA 0.757 5.226 4.470 -0.002 0.000 0.274 961 S C -0.080 174.431 174.600 -0.148 0.000 1.329 961 S CA -0.643 57.497 58.200 -0.100 0.000 1.036 961 S CB 0.087 63.215 63.200 -0.121 0.000 0.919 961 S HN 0.800 nan 8.310 nan 0.000 0.515 962 M N 0.608 119.998 119.600 -0.350 0.000 2.569 962 M HA 0.728 5.207 4.480 -0.002 0.000 0.279 962 M C -2.024 173.959 176.300 -0.529 0.000 1.253 962 M CA -0.884 54.268 55.300 -0.246 0.000 0.867 962 M CB 1.405 33.960 32.600 -0.075 0.000 1.727 962 M HN 0.512 nan 8.290 nan 0.000 0.467 963 F N 0.742 120.712 119.950 0.033 0.000 2.546 963 F HA 0.935 5.461 4.527 -0.001 0.000 0.320 963 F C -0.201 175.618 175.800 0.032 0.000 1.076 963 F CA -0.623 57.394 58.000 0.028 0.000 0.928 963 F CB 2.523 41.540 39.000 0.029 0.000 1.189 963 F HN 0.864 nan 8.300 nan 0.000 0.465 964 A N 1.268 124.229 122.820 0.234 0.000 2.414 964 A HA 0.757 5.076 4.320 -0.002 0.000 0.306 964 A C -1.047 176.630 177.584 0.155 0.000 1.054 964 A CA -0.637 51.489 52.037 0.148 0.000 0.724 964 A CB 1.311 20.364 19.000 0.088 0.000 1.267 964 A HN 0.598 nan 8.150 nan 0.000 0.418 965 S N -0.206 115.567 115.700 0.122 0.000 2.616 965 S HA 0.616 5.086 4.470 -0.002 0.000 0.277 965 S C -0.630 174.013 174.600 0.073 0.000 1.234 965 S CA -0.406 57.863 58.200 0.114 0.000 1.028 965 S CB 1.173 64.443 63.200 0.117 0.000 0.988 965 S HN 1.061 nan 8.310 nan 0.000 0.522 966 C N 2.726 122.060 119.300 0.058 0.000 2.701 966 C HA 0.473 4.932 4.460 -0.002 0.000 0.336 966 C C -0.012 174.980 174.990 0.004 0.000 1.123 966 C CA -0.775 58.260 59.018 0.028 0.000 1.326 966 C CB 0.611 28.371 27.740 0.034 0.000 1.833 966 C HN 0.945 nan 8.230 nan 0.000 0.473 967 N N 2.762 121.464 118.700 0.004 0.000 2.235 967 N HA 0.234 4.973 4.740 -0.002 0.000 0.209 967 N C -0.778 174.761 175.510 0.049 0.000 1.122 967 N CA 0.145 53.203 53.050 0.014 0.000 0.845 967 N CB 0.431 38.970 38.487 0.087 0.000 1.004 967 N HN 0.534 nan 8.380 nan 0.000 0.499 968 L N 1.692 122.928 121.223 0.022 0.000 2.366 968 L HA 0.292 4.631 4.340 -0.002 0.000 0.266 968 L C 0.846 177.733 176.870 0.028 0.000 1.010 968 L CA -0.132 54.725 54.840 0.030 0.000 0.879 968 L CB 1.066 43.123 42.059 -0.003 0.000 1.228 968 L HN -0.097 nan 8.230 nan 0.000 0.439 969 L N 1.810 123.053 121.223 0.033 0.000 2.156 969 L HA -0.054 4.285 4.340 -0.002 0.000 0.208 969 L C 2.353 179.256 176.870 0.055 0.000 1.095 969 L CA 0.692 55.560 54.840 0.047 0.000 0.770 969 L CB -0.753 41.341 42.059 0.058 0.000 0.914 969 L HN 0.713 nan 8.230 nan 0.000 0.439 970 R N 1.125 121.658 120.500 0.054 0.000 2.162 970 R HA -0.204 4.135 4.340 -0.002 0.000 0.245 970 R C -0.509 175.814 176.300 0.037 0.000 1.129 970 R CA 2.255 58.383 56.100 0.047 0.000 0.940 970 R CB -1.719 28.601 30.300 0.033 0.000 0.875 970 R HN 0.205 nan 8.270 nan 0.000 0.437 971 P HA -0.095 nan 4.420 nan 0.000 0.216 971 P C 1.353 178.673 177.300 0.033 0.000 1.153 971 P CA 1.166 64.283 63.100 0.028 0.000 0.848 971 P CB -0.052 31.663 31.700 0.025 0.000 0.787 972 V N -0.399 119.537 119.914 0.037 0.000 2.231 972 V HA -0.291 3.828 4.120 -0.002 0.000 0.248 972 V C 2.392 178.504 176.094 0.031 0.000 1.054 972 V CA 1.971 64.294 62.300 0.038 0.000 1.015 972 V CB -1.163 30.687 31.823 0.045 0.000 0.638 972 V HN 0.105 nan 8.190 nan 0.000 0.444 973 M N -0.331 119.291 119.600 0.036 0.000 2.358 973 M HA -0.076 4.403 4.480 -0.002 0.000 0.264 973 M C 2.302 178.609 176.300 0.012 0.000 1.064 973 M CA 1.796 57.112 55.300 0.026 0.000 1.093 973 M CB -1.496 31.133 32.600 0.048 0.000 1.401 973 M HN 0.444 nan 8.290 nan 0.000 0.440 974 A N 0.192 123.022 122.820 0.016 0.000 2.070 974 A HA 0.089 4.408 4.320 -0.002 0.000 0.220 974 A C 2.147 179.731 177.584 -0.000 0.000 1.159 974 A CA 1.601 53.640 52.037 0.003 0.000 0.656 974 A CB -0.586 18.419 19.000 0.009 0.000 0.800 974 A HN 0.477 nan 8.150 nan 0.000 0.453 975 A N -0.491 122.338 122.820 0.015 0.000 2.302 975 A HA 0.262 4.581 4.320 -0.002 0.000 0.219 975 A C 0.831 178.421 177.584 0.009 0.000 1.243 975 A CA -0.074 51.981 52.037 0.029 0.000 0.856 975 A CB -0.435 18.604 19.000 0.065 0.000 0.893 975 A HN 0.484 nan 8.150 nan 0.000 0.491 976 R N -1.102 119.390 120.500 -0.013 0.000 3.038 976 R HA -0.147 4.192 4.340 -0.002 0.000 0.242 976 R C -2.562 173.718 176.300 -0.035 0.000 0.866 976 R CA 0.728 56.810 56.100 -0.030 0.000 0.601 976 R CB -1.891 28.389 30.300 -0.034 0.000 1.107 976 R HN 0.484 nan 8.270 nan 0.000 0.492 977 P HA 0.125 nan 4.420 nan 0.000 0.278 977 P C 0.116 177.335 177.300 -0.134 0.000 1.258 977 P CA -0.465 62.591 63.100 -0.074 0.000 0.811 977 P CB 0.761 32.421 31.700 -0.067 0.000 1.063 978 M N 1.031 120.521 119.600 -0.183 0.000 2.216 978 M HA 0.324 4.803 4.480 -0.002 0.000 0.356 978 M C 0.262 176.314 176.300 -0.413 0.000 1.205 978 M CA -0.475 54.621 55.300 -0.340 0.000 1.122 978 M CB 1.184 33.582 32.600 -0.336 0.000 1.571 978 M HN 0.181 nan 8.290 nan 0.000 0.464 979 V N 1.372 120.965 119.914 -0.535 0.000 3.102 979 V HA 0.881 5.000 4.120 -0.002 0.000 0.312 979 V C -0.957 174.848 176.094 -0.481 0.000 1.135 979 V CA -0.795 61.260 62.300 -0.409 0.000 1.022 979 V CB 2.278 33.935 31.823 -0.277 0.000 1.056 979 V HN 0.596 nan 8.190 nan 0.000 0.436 980 V N 3.928 123.676 119.914 -0.275 0.000 2.524 980 V HA 0.743 4.862 4.120 -0.002 0.000 0.297 980 V C -0.426 175.608 176.094 -0.100 0.000 1.035 980 V CA -0.110 62.088 62.300 -0.170 0.000 0.867 980 V CB 1.147 32.920 31.823 -0.084 0.000 1.004 980 V HN 1.179 nan 8.190 nan 0.000 0.426 981 L N 2.480 123.645 121.223 -0.098 0.000 2.630 981 L HA 1.074 5.413 4.340 -0.002 0.000 0.258 981 L C -0.001 176.850 176.870 -0.032 0.000 1.072 981 L CA -0.810 53.992 54.840 -0.063 0.000 0.885 981 L CB 2.096 44.025 42.059 -0.217 0.000 1.502 981 L HN 0.609 nan 8.230 nan 0.000 0.406 982 G N 0.921 109.745 108.800 0.039 0.000 2.353 982 G HA2 0.566 4.525 3.960 -0.002 0.000 0.284 982 G HA3 0.566 4.525 3.960 -0.002 0.000 0.284 982 G C -1.414 173.516 174.900 0.050 0.000 1.172 982 G CA -0.328 44.812 45.100 0.066 0.000 0.854 982 G HN 0.637 nan 8.290 nan 0.000 0.485 983 L N 2.167 123.412 121.223 0.036 0.000 2.409 983 L HA 0.727 5.066 4.340 -0.002 0.000 0.272 983 L C -0.253 176.634 176.870 0.028 0.000 0.980 983 L CA -0.611 54.249 54.840 0.033 0.000 0.826 983 L CB 2.438 44.514 42.059 0.027 0.000 1.268 983 L HN 0.425 nan 8.230 nan 0.000 0.407 984 S N 6.047 121.763 115.700 0.026 0.000 2.640 984 S HA 0.651 5.120 4.470 -0.002 0.000 0.320 984 S C -0.546 174.022 174.600 -0.053 0.000 1.097 984 S CA -0.597 57.604 58.200 0.002 0.000 1.092 984 S CB 0.258 63.474 63.200 0.026 0.000 0.988 984 S HN 0.538 nan 8.310 nan 0.000 0.470 985 I N 4.863 125.362 120.570 -0.119 0.000 2.371 985 I HA 0.301 4.470 4.170 -0.002 0.000 0.290 985 I C 0.493 176.593 176.117 -0.029 0.000 1.028 985 I CA -0.320 60.832 61.300 -0.246 0.000 1.345 985 I CB 1.451 39.173 38.000 -0.464 0.000 1.407 985 I HN 0.674 nan 8.210 nan 0.000 0.501 986 S N 5.399 121.099 115.700 -0.000 0.000 2.501 986 S HA 0.701 5.170 4.470 -0.002 0.000 0.301 986 S C -0.674 173.886 174.600 -0.066 0.000 1.096 986 S CA -1.045 57.260 58.200 0.175 0.000 1.063 986 S CB 1.863 65.231 63.200 0.280 0.000 1.042 986 S HN 0.445 nan 8.310 nan 0.000 0.494 987 K N 2.114 122.384 120.400 -0.217 0.000 2.535 987 K HA 0.543 4.862 4.320 -0.002 0.000 0.253 987 K C -1.052 175.143 176.600 -0.674 0.000 0.953 987 K CA -0.492 55.397 56.287 -0.664 0.000 0.863 987 K CB 0.885 32.806 32.500 -0.964 0.000 1.111 987 K HN 0.747 nan 8.250 nan 0.000 0.431 998 F N 3.972 123.677 119.950 -0.407 0.000 2.457 998 F HA 0.851 5.377 4.527 -0.002 0.000 0.330 998 F C 0.495 175.845 175.800 -0.749 0.000 1.069 998 F CA -0.432 57.268 58.000 -0.500 0.000 1.009 998 F CB 1.593 40.377 39.000 -0.360 0.000 1.276 998 F HN 0.356 nan 8.300 nan 0.000 0.492 999 Q N 0.971 120.647 119.800 -0.207 0.000 2.413 999 Q HA 0.808 5.147 4.340 -0.002 0.000 0.276 999 Q C -1.413 174.598 176.000 0.019 0.000 1.099 999 Q CA -1.202 54.503 55.803 -0.163 0.000 0.814 999 Q CB 2.396 31.169 28.738 0.060 0.000 1.379 999 Q HN 0.715 nan 8.270 nan 0.000 0.436 1000 A N 0.190 123.022 122.820 0.021 0.000 2.429 1000 A HA 0.679 4.998 4.320 -0.002 0.000 0.289 1000 A C -0.228 177.380 177.584 0.040 0.000 1.043 1000 A CA -0.388 51.740 52.037 0.151 0.000 0.722 1000 A CB 1.416 20.574 19.000 0.263 0.000 1.243 1000 A HN 0.674 nan 8.150 nan 0.000 0.415 1001 G N 2.695 111.593 108.800 0.164 0.000 2.639 1001 G HA2 0.381 4.340 3.960 -0.002 0.000 0.312 1001 G HA3 0.381 4.340 3.960 -0.002 0.000 0.312 1001 G C -0.452 174.539 174.900 0.151 0.000 0.911 1001 G CA -0.499 44.655 45.100 0.090 0.000 1.410 1001 G HN 0.651 nan 8.290 nan 0.000 0.469 1002 N N 1.759 120.521 118.700 0.105 0.000 2.452 1002 N HA -0.014 4.725 4.740 -0.002 0.000 0.266 1002 N C -0.105 175.549 175.510 0.240 0.000 1.175 1002 N CA -0.249 52.905 53.050 0.174 0.000 0.945 1002 N CB 1.436 40.000 38.487 0.128 0.000 1.063 1002 N HN 0.502 nan 8.380 nan 0.000 0.472 1003 W N 3.427 124.778 121.300 0.084 0.000 2.724 1003 W HA 0.227 4.886 4.660 -0.002 0.000 0.347 1003 W C -0.168 176.395 176.519 0.073 0.000 1.338 1003 W CA -0.938 56.456 57.345 0.081 0.000 1.450 1003 W CB -0.556 28.955 29.460 0.086 0.000 1.534 1003 W HN 0.513 nan 8.180 nan 0.000 0.508 1004 A N 4.337 127.401 122.820 0.407 0.000 3.322 1004 A HA 0.805 5.124 4.320 -0.002 0.000 0.201 1004 A C -0.206 177.577 177.584 0.332 0.000 1.668 1004 A CA 0.004 52.213 52.037 0.287 0.000 0.861 1004 A CB 0.431 19.528 19.000 0.161 0.000 1.769 1004 A HN 0.624 nan 8.150 nan 0.000 0.578 1005 S N -1.671 114.157 115.700 0.213 0.000 2.588 1005 S HA 0.665 5.134 4.470 -0.002 0.000 0.275 1005 S C -0.913 173.758 174.600 0.118 0.000 1.130 1005 S CA -0.681 57.638 58.200 0.199 0.000 0.855 1005 S CB 0.670 63.986 63.200 0.194 0.000 1.116 1005 S HN 0.601 nan 8.310 nan 0.000 0.472 1006 L N 1.809 123.084 121.223 0.087 0.000 2.367 1006 L HA 0.377 4.716 4.340 -0.002 0.000 0.275 1006 L C 0.165 177.047 176.870 0.020 0.000 1.129 1006 L CA -0.140 54.727 54.840 0.044 0.000 0.839 1006 L CB 0.366 42.435 42.059 0.017 0.000 1.133 1006 L HN 0.570 nan 8.230 nan 0.000 0.453 1007 M N 1.713 121.326 119.600 0.022 0.000 2.444 1007 M HA 0.463 4.942 4.480 -0.002 0.000 0.319 1007 M C 0.923 177.205 176.300 -0.029 0.000 1.183 1007 M CA 0.082 55.379 55.300 -0.005 0.000 1.032 1007 M CB 1.599 34.204 32.600 0.009 0.000 1.569 1007 M HN 0.821 nan 8.290 nan 0.000 0.468 1008 G N 0.407 109.166 108.800 -0.069 0.000 2.192 1008 G HA2 0.036 3.995 3.960 -0.002 0.000 0.193 1008 G HA3 0.036 3.995 3.960 -0.002 0.000 0.193 1008 G C 0.457 175.294 174.900 -0.106 0.000 0.999 1008 G CA -0.017 45.024 45.100 -0.098 0.000 0.659 1008 G HN 1.389 nan 8.290 nan 0.000 0.503 1009 G N 0.667 109.405 108.800 -0.103 0.000 2.594 1009 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.297 1009 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.297 1009 G C 0.971 175.798 174.900 -0.121 0.000 1.273 1009 G CA 1.311 46.342 45.100 -0.115 0.000 0.974 1009 G HN 1.291 nan 8.290 nan 0.000 0.552 1010 K N 1.258 121.585 120.400 -0.123 0.000 2.444 1010 K HA -0.069 4.250 4.320 -0.002 0.000 0.200 1010 K C 2.177 178.707 176.600 -0.116 0.000 1.045 1010 K CA 1.686 57.899 56.287 -0.123 0.000 0.934 1010 K CB -0.211 32.225 32.500 -0.107 0.000 0.756 1010 K HN 0.424 nan 8.250 nan 0.000 0.477 1011 N N 0.253 118.883 118.700 -0.116 0.000 2.216 1011 N HA -0.063 4.676 4.740 -0.002 0.000 0.183 1011 N C 1.667 177.160 175.510 -0.028 0.000 1.017 1011 N CA 1.260 54.239 53.050 -0.117 0.000 0.861 1011 N CB -0.123 38.273 38.487 -0.151 0.000 0.986 1011 N HN 0.243 nan 8.380 nan 0.000 0.428 1012 A N -0.044 122.761 122.820 -0.026 0.000 1.930 1012 A HA 0.014 4.333 4.320 -0.002 0.000 0.217 1012 A C 1.159 178.714 177.584 -0.047 0.000 1.175 1012 A CA 0.833 52.877 52.037 0.012 0.000 0.627 1012 A CB -0.140 18.845 19.000 -0.026 0.000 0.815 1012 A HN 0.432 nan 8.150 nan 0.000 0.443 1013 C N -1.290 117.935 119.300 -0.124 0.000 2.989 1013 C HA 0.498 4.957 4.460 -0.002 0.000 0.397 1013 C C -2.162 172.711 174.990 -0.196 0.000 1.022 1013 C CA -0.721 58.164 59.018 -0.221 0.000 1.232 1013 C CB 1.493 29.022 27.740 -0.352 0.000 1.638 1013 C HN 0.243 nan 8.230 nan 0.000 0.534 1014 P HA -0.054 nan 4.420 nan 0.000 0.222 1014 P C 1.079 178.311 177.300 -0.114 0.000 1.147 1014 P CA 1.294 64.330 63.100 -0.106 0.000 0.790 1014 P CB 0.212 31.883 31.700 -0.048 0.000 0.780 1015 L N -1.075 120.059 121.223 -0.150 0.000 2.591 1015 L HA 0.151 4.490 4.340 -0.002 0.000 0.228 1015 L C 1.101 177.834 176.870 -0.229 0.000 1.133 1015 L CA -0.214 54.556 54.840 -0.116 0.000 0.880 1015 L CB -0.238 41.794 42.059 -0.044 0.000 1.033 1015 L HN -0.085 nan 8.230 nan 0.000 0.450 1016 L N 1.427 122.448 121.223 -0.337 0.000 2.315 1016 L HA 0.250 4.589 4.340 -0.002 0.000 0.283 1016 L C -0.193 176.412 176.870 -0.442 0.000 1.089 1016 L CA 0.076 54.558 54.840 -0.597 0.000 0.833 1016 L CB 0.747 42.532 42.059 -0.458 0.000 1.170 1016 L HN 0.053 nan 8.230 nan 0.000 0.442 1017 I N 3.641 123.888 120.570 -0.538 0.000 2.359 1017 I HA 0.182 4.351 4.170 -0.002 0.000 0.294 1017 I C -0.111 175.964 176.117 -0.071 0.000 0.987 1017 I CA -0.601 60.593 61.300 -0.177 0.000 1.225 1017 I CB 1.492 39.480 38.000 -0.020 0.000 1.366 1017 I HN 0.359 nan 8.210 nan 0.000 0.466 1018 F N 7.029 126.907 119.950 -0.119 0.000 2.506 1018 F HA 0.317 4.843 4.527 -0.002 0.000 0.371 1018 F C -0.183 175.593 175.800 -0.041 0.000 1.078 1018 F CA 0.025 57.980 58.000 -0.074 0.000 1.195 1018 F CB 0.177 39.133 39.000 -0.073 0.000 1.099 1018 F HN 0.426 nan 8.300 nan 0.000 0.548 1019 D N 5.893 125.924 120.400 -0.615 0.000 2.400 1019 D HA 0.108 4.747 4.640 -0.002 0.000 0.197 1019 D C 0.273 176.280 176.300 -0.489 0.000 1.295 1019 D CA -0.413 53.228 54.000 -0.598 0.000 0.878 1019 D CB 0.810 41.448 40.800 -0.270 0.000 1.659 1019 D HN 0.711 nan 8.370 nan 0.000 0.546 1020 R N 0.762 120.905 120.500 -0.594 0.000 2.293 1020 R HA -0.044 4.295 4.340 -0.002 0.000 0.219 1020 R C 1.584 177.657 176.300 -0.379 0.000 1.091 1020 R CA 1.499 57.377 56.100 -0.371 0.000 1.004 1020 R CB -0.094 30.022 30.300 -0.307 0.000 0.865 1020 R HN 0.463 nan 8.270 nan 0.000 0.469 1021 T N -1.302 112.943 114.554 -0.514 0.000 3.107 1021 T HA 0.070 4.419 4.350 -0.002 0.000 0.249 1021 T C 0.475 175.029 174.700 -0.243 0.000 1.096 1021 T CA -0.465 61.339 62.100 -0.493 0.000 1.012 1021 T CB -0.018 68.496 68.868 -0.588 0.000 0.977 1021 T HN 0.245 nan 8.240 nan 0.000 0.527 1022 R N -0.447 119.920 120.500 -0.222 0.000 2.698 1022 R HA 0.769 5.108 4.340 -0.002 0.000 0.275 1022 R C -1.509 174.659 176.300 -0.220 0.000 1.001 1022 R CA -1.220 54.721 56.100 -0.265 0.000 0.896 1022 R CB 1.280 31.387 30.300 -0.321 0.000 1.218 1022 R HN -0.162 nan 8.270 nan 0.000 0.462 1023 K N 1.576 121.717 120.400 -0.431 0.000 2.328 1023 K HA 0.549 4.868 4.320 -0.002 0.000 0.246 1023 K C -1.050 175.324 176.600 -0.377 0.000 0.955 1023 K CA -0.671 55.420 56.287 -0.326 0.000 0.817 1023 K CB 1.348 33.354 32.500 -0.823 0.000 1.208 1023 K HN 0.405 nan 8.250 nan 0.000 0.432 1024 F N -0.434 119.580 119.950 0.107 0.000 2.618 1024 F HA 0.615 5.141 4.527 -0.002 0.000 0.332 1024 F C -0.241 175.783 175.800 0.373 0.000 1.061 1024 F CA -0.926 57.182 58.000 0.181 0.000 0.974 1024 F CB 1.765 40.813 39.000 0.080 0.000 1.310 1024 F HN 0.060 nan 8.300 nan 0.000 0.491 1025 V N 1.430 121.595 119.914 0.418 0.000 2.777 1025 V HA 0.430 4.549 4.120 -0.002 0.000 0.306 1025 V C -0.927 175.255 176.094 0.146 0.000 1.112 1025 V CA -0.988 61.461 62.300 0.248 0.000 0.917 1025 V CB 1.593 33.544 31.823 0.214 0.000 1.018 1025 V HN 0.556 nan 8.190 nan 0.000 0.426 1026 L N 3.580 124.837 121.223 0.056 0.000 2.276 1026 L HA 0.894 5.233 4.340 -0.002 0.000 0.286 1026 L C 0.379 177.254 176.870 0.010 0.000 1.061 1026 L CA -0.321 54.542 54.840 0.038 0.000 0.807 1026 L CB 1.522 43.570 42.059 -0.020 0.000 1.177 1026 L HN 0.919 nan 8.230 nan 0.000 0.429 1027 A N 2.802 125.651 122.820 0.048 0.000 2.422 1027 A HA 0.586 4.905 4.320 -0.002 0.000 0.302 1027 A C -1.222 176.341 177.584 -0.034 0.000 1.041 1027 A CA -0.467 51.557 52.037 -0.021 0.000 0.708 1027 A CB 1.827 20.825 19.000 -0.004 0.000 1.257 1027 A HN 0.764 nan 8.150 nan 0.000 0.414 1028 C N 5.171 124.405 119.300 -0.111 0.000 2.322 1028 C HA 0.748 5.207 4.460 -0.002 0.000 0.324 1028 C C -2.451 172.451 174.990 -0.147 0.000 1.249 1028 C CA -2.026 56.887 59.018 -0.175 0.000 1.453 1028 C CB 0.927 28.519 27.740 -0.247 0.000 2.145 1028 C HN 0.741 nan 8.230 nan 0.000 0.466 1029 P HA 0.166 nan 4.420 nan 0.000 0.269 1029 P C -0.208 177.106 177.300 0.023 0.000 1.217 1029 P CA 0.441 63.522 63.100 -0.032 0.000 0.783 1029 P CB 1.078 32.802 31.700 0.040 0.000 0.898 1030 R N 1.021 121.579 120.500 0.097 0.000 2.493 1030 R HA 0.256 4.595 4.340 -0.002 0.000 0.177 1030 R C 0.666 177.027 176.300 0.102 0.000 0.861 1030 R CA -0.004 56.142 56.100 0.077 0.000 1.083 1030 R CB -0.221 30.078 30.300 -0.001 0.000 1.328 1030 R HN 0.538 nan 8.270 nan 0.000 0.615 1031 A N 0.906 123.769 122.820 0.071 0.000 2.522 1031 A HA 0.402 4.721 4.320 -0.002 0.000 0.256 1031 A C 0.901 178.502 177.584 0.029 0.000 1.086 1031 A CA 1.171 53.219 52.037 0.017 0.000 0.763 1031 A CB -0.401 18.600 19.000 0.002 0.000 1.024 1031 A HN 0.676 nan 8.150 nan 0.000 0.502 1032 G N 0.767 109.487 108.800 -0.134 0.000 2.179 1032 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.220 1032 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.220 1032 G C 0.204 174.571 174.900 -0.889 0.000 0.990 1032 G CA 0.588 45.440 45.100 -0.414 0.000 0.646 1032 G HN 0.811 nan 8.290 nan 0.000 0.517 1033 F N -1.074 118.683 119.950 -0.322 0.000 1.901 1033 F HA 0.312 4.839 4.527 -0.001 0.000 0.239 1033 F C 1.913 177.265 175.800 -0.747 0.000 1.133 1033 F CA 0.878 58.533 58.000 -0.575 0.000 1.271 1033 F CB -0.083 38.398 39.000 -0.864 0.000 1.652 1033 F HN 0.342 nan 8.300 nan 0.000 0.543 1034 V N -2.663 116.869 119.914 -0.636 0.000 3.319 1034 V HA 0.444 4.563 4.120 -0.002 0.000 0.317 1034 V C -0.202 175.620 176.094 -0.453 0.000 1.411 1034 V CA -0.847 60.846 62.300 -1.012 0.000 1.112 1034 V CB -0.741 30.336 31.823 -1.242 0.000 1.031 1034 V HN 0.309 nan 8.190 nan 0.000 0.448 1035 C N 0.627 119.789 119.300 -0.230 0.000 3.173 1035 C HA 0.852 5.311 4.460 -0.002 0.000 0.310 1035 C C 0.753 175.703 174.990 -0.067 0.000 1.306 1035 C CA -0.601 58.361 59.018 -0.093 0.000 1.426 1035 C CB 1.563 29.263 27.740 -0.068 0.000 1.800 1035 C HN 0.694 nan 8.230 nan 0.000 0.470 1036 A N 1.525 124.327 122.820 -0.030 0.000 2.531 1036 A HA 0.512 4.831 4.320 -0.002 0.000 0.236 1036 A C 0.640 178.194 177.584 -0.050 0.000 1.062 1036 A CA 0.629 52.647 52.037 -0.031 0.000 0.760 1036 A CB -0.100 18.892 19.000 -0.013 0.000 0.995 1036 A HN 1.743 nan 8.150 nan 0.000 0.501 1037 A N 2.865 125.646 122.820 -0.064 0.000 2.492 1037 A HA 0.458 4.777 4.320 -0.002 0.000 0.236 1037 A C 1.138 178.694 177.584 -0.046 0.000 1.078 1037 A CA 0.365 52.360 52.037 -0.070 0.000 0.773 1037 A CB -0.433 18.518 19.000 -0.080 0.000 1.023 1037 A HN 1.304 nan 8.150 nan 0.000 0.504 1049 L N 1.038 122.260 121.223 -0.001 0.000 2.269 1049 L HA 0.420 4.759 4.340 -0.002 0.000 0.200 1049 L C 2.296 179.176 176.870 0.018 0.000 1.069 1049 L CA 1.480 56.323 54.840 0.005 0.000 0.804 1049 L CB -0.809 41.244 42.059 -0.010 0.000 0.987 1049 L HN 0.558 nan 8.230 nan 0.000 0.468 1050 C N 0.534 119.841 119.300 0.013 0.000 2.396 1050 C HA -0.222 4.237 4.460 -0.002 0.000 0.279 1050 C C 2.679 177.689 174.990 0.033 0.000 1.229 1050 C CA 1.470 60.504 59.018 0.026 0.000 1.801 1050 C CB -1.139 26.611 27.740 0.016 0.000 2.050 1050 C HN 0.731 nan 8.230 nan 0.000 0.491 1051 E N 0.442 120.657 120.200 0.025 0.000 2.016 1051 E HA -0.235 4.114 4.350 -0.002 0.000 0.190 1051 E C 2.281 178.900 176.600 0.031 0.000 0.985 1051 E CA 0.980 57.395 56.400 0.026 0.000 0.802 1051 E CB -0.544 29.167 29.700 0.019 0.000 0.762 1051 E HN 0.650 nan 8.360 nan 0.000 0.448 1052 Q N 0.471 120.289 119.800 0.029 0.000 2.077 1052 Q HA -0.212 4.127 4.340 -0.002 0.000 0.206 1052 Q C 2.421 178.447 176.000 0.043 0.000 0.989 1052 Q CA 1.897 57.720 55.803 0.033 0.000 0.853 1052 Q CB -0.138 28.617 28.738 0.029 0.000 0.907 1052 Q HN 0.428 nan 8.270 nan 0.000 0.418 1053 L N 0.012 121.267 121.223 0.053 0.000 1.961 1053 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 1053 L C 2.273 179.183 176.870 0.067 0.000 1.072 1053 L CA 1.400 56.283 54.840 0.072 0.000 0.749 1053 L CB -0.388 41.731 42.059 0.099 0.000 0.889 1053 L HN 0.115 nan 8.230 nan 0.000 0.432 1054 R N 0.244 120.782 120.500 0.063 0.000 2.389 1054 R HA -0.022 4.317 4.340 -0.002 0.000 0.210 1054 R C 1.405 177.733 176.300 0.047 0.000 1.157 1054 R CA 0.403 56.538 56.100 0.057 0.000 1.169 1054 R CB -0.345 29.987 30.300 0.054 0.000 1.004 1054 R HN 0.436 nan 8.270 nan 0.000 0.482 1055 G N -0.499 108.329 108.800 0.045 0.000 2.759 1055 G HA2 0.034 3.993 3.960 -0.002 0.000 0.208 1055 G HA3 0.034 3.993 3.960 -0.002 0.000 0.208 1055 G C 1.176 176.100 174.900 0.042 0.000 1.076 1055 G CA -0.218 44.906 45.100 0.039 0.000 0.789 1055 G HN 0.130 nan 8.290 nan 0.000 0.546 1056 I N 0.851 121.450 120.570 0.047 0.000 2.584 1056 I HA 0.099 4.268 4.170 -0.002 0.000 0.255 1056 I C 2.236 178.384 176.117 0.051 0.000 1.145 1056 I CA 0.537 61.866 61.300 0.048 0.000 1.462 1056 I CB 0.015 38.046 38.000 0.052 0.000 1.102 1056 I HN 0.057 nan 8.210 nan 0.000 0.433 1057 I N 0.009 120.612 120.570 0.055 0.000 2.756 1057 I HA -0.228 3.941 4.170 -0.002 0.000 0.262 1057 I C 2.442 178.589 176.117 0.049 0.000 1.225 1057 I CA 0.756 62.090 61.300 0.057 0.000 1.472 1057 I CB -0.244 37.793 38.000 0.063 0.000 1.094 1057 I HN 0.229 nan 8.210 nan 0.000 0.454 1058 S N 0.897 116.624 115.700 0.044 0.000 2.310 1058 S HA -0.079 4.390 4.470 -0.002 0.000 0.176 1058 S C 1.060 175.681 174.600 0.036 0.000 1.002 1058 S CA 0.017 58.239 58.200 0.037 0.000 1.105 1058 S CB -0.148 63.073 63.200 0.034 0.000 0.852 1058 S HN 0.373 nan 8.310 nan 0.000 0.475 1059 E N 1.076 121.297 120.200 0.035 0.000 1.800 1059 E HA 0.379 4.728 4.350 -0.002 0.000 0.262 1059 E C -0.329 176.294 176.600 0.038 0.000 1.219 1059 E CA -0.122 56.298 56.400 0.034 0.000 1.051 1059 E CB -0.770 28.950 29.700 0.033 0.000 1.074 1059 E HN 0.500 nan 8.360 nan 0.000 0.433 1060 G N 1.310 110.133 108.800 0.040 0.000 2.718 1060 G HA2 0.523 4.482 3.960 -0.002 0.000 0.295 1060 G HA3 0.523 4.482 3.960 -0.002 0.000 0.295 1060 G C -0.048 174.878 174.900 0.044 0.000 1.421 1060 G CA -0.372 44.755 45.100 0.046 0.000 0.902 1060 G HN 0.420 nan 8.290 nan 0.000 0.501 1061 G N -0.188 108.642 108.800 0.050 0.000 3.372 1061 G HA2 0.504 4.463 3.960 -0.002 0.000 0.178 1061 G HA3 0.504 4.463 3.960 -0.002 0.000 0.178 1061 G C 1.373 176.301 174.900 0.047 0.000 1.817 1061 G CA 0.945 46.071 45.100 0.044 0.000 0.996 1061 G HN 1.368 nan 8.290 nan 0.000 0.559 1062 A N -0.871 121.977 122.820 0.047 0.000 2.147 1062 A HA 0.592 4.911 4.320 -0.002 0.000 0.211 1062 A C 1.872 179.498 177.584 0.070 0.000 1.160 1062 A CA 1.431 53.496 52.037 0.047 0.000 0.781 1062 A CB -0.023 18.993 19.000 0.027 0.000 0.842 1062 A HN 1.079 nan 8.150 nan 0.000 0.475 1063 A N -0.229 122.650 122.820 0.097 0.000 2.507 1063 A HA 0.488 4.807 4.320 -0.002 0.000 0.270 1063 A C 1.442 179.092 177.584 0.109 0.000 1.318 1063 A CA 0.270 52.392 52.037 0.142 0.000 0.924 1063 A CB -0.510 18.668 19.000 0.297 0.000 1.061 1063 A HN 0.178 nan 8.150 nan 0.000 0.516 1064 V N 0.200 120.165 119.914 0.086 0.000 2.278 1064 V HA -0.376 3.743 4.120 -0.002 0.000 0.251 1064 V C 3.056 179.185 176.094 0.059 0.000 1.062 1064 V CA 2.410 64.754 62.300 0.072 0.000 1.038 1064 V CB -1.291 30.576 31.823 0.075 0.000 0.646 1064 V HN 0.652 nan 8.190 nan 0.000 0.447 1065 A N 0.246 123.094 122.820 0.047 0.000 1.859 1065 A HA -0.278 4.041 4.320 -0.002 0.000 0.217 1065 A C 2.483 180.080 177.584 0.022 0.000 1.198 1065 A CA 2.793 54.826 52.037 -0.006 0.000 0.629 1065 A CB -1.042 17.926 19.000 -0.052 0.000 0.830 1065 A HN 0.562 nan 8.150 nan 0.000 0.446 1066 S N 0.264 115.984 115.700 0.033 0.000 2.353 1066 S HA -0.174 4.295 4.470 -0.002 0.000 0.222 1066 S C 2.259 176.892 174.600 0.055 0.000 1.035 1066 S CA 1.612 59.837 58.200 0.043 0.000 1.025 1066 S CB -0.629 62.600 63.200 0.049 0.000 0.902 1066 S HN 0.626 nan 8.310 nan 0.000 0.440 1067 S N 1.176 116.888 115.700 0.020 0.000 2.365 1067 S HA -0.099 4.370 4.470 -0.002 0.000 0.225 1067 S C 2.041 176.675 174.600 0.058 0.000 1.039 1067 S CA 1.349 59.554 58.200 0.008 0.000 1.033 1067 S CB -0.540 62.672 63.200 0.020 0.000 0.887 1067 S HN 0.335 nan 8.310 nan 0.000 0.447 1068 V N 1.006 120.970 119.914 0.083 0.000 2.427 1068 V HA -0.124 3.995 4.120 -0.002 0.000 0.248 1068 V C 1.845 178.035 176.094 0.160 0.000 1.051 1068 V CA 1.562 63.926 62.300 0.107 0.000 1.048 1068 V CB -0.730 31.148 31.823 0.093 0.000 0.666 1068 V HN 0.447 nan 8.190 nan 0.000 0.456 1069 F N 1.049 121.006 119.950 0.012 0.000 2.075 1069 F HA -0.196 4.330 4.527 -0.001 0.000 0.297 1069 F C 2.235 178.105 175.800 0.118 0.000 1.113 1069 F CA 1.964 59.997 58.000 0.055 0.000 1.218 1069 F CB -0.483 38.513 39.000 -0.006 0.000 0.984 1069 F HN -0.005 nan 8.300 nan 0.000 0.472 1070 V N 0.903 120.894 119.914 0.129 0.000 2.231 1070 V HA -0.378 3.741 4.120 -0.002 0.000 0.248 1070 V C 2.781 178.870 176.094 -0.008 0.000 1.054 1070 V CA 2.179 64.498 62.300 0.031 0.000 1.015 1070 V CB -1.998 29.845 31.823 0.033 0.000 0.638 1070 V HN 0.479 nan 8.190 nan 0.000 0.444 1071 A N 0.066 122.899 122.820 0.022 0.000 1.927 1071 A HA -0.303 4.016 4.320 -0.002 0.000 0.220 1071 A C 2.380 179.970 177.584 0.011 0.000 1.185 1071 A CA 2.955 55.005 52.037 0.021 0.000 0.639 1071 A CB -1.272 17.752 19.000 0.040 0.000 0.820 1071 A HN 0.573 nan 8.150 nan 0.000 0.451 1072 T N -0.419 114.150 114.554 0.026 0.000 2.746 1072 T HA -0.118 4.231 4.350 -0.002 0.000 0.267 1072 T C 1.857 176.523 174.700 -0.058 0.000 1.039 1072 T CA 1.642 63.753 62.100 0.019 0.000 1.142 1072 T CB -0.475 68.501 68.868 0.180 0.000 0.866 1072 T HN 0.204 nan 8.240 nan 0.000 0.444 1073 V N 1.369 121.224 119.914 -0.098 0.000 2.427 1073 V HA -0.082 4.037 4.120 -0.002 0.000 0.248 1073 V C 2.156 178.256 176.094 0.011 0.000 1.051 1073 V CA 1.381 63.663 62.300 -0.031 0.000 1.048 1073 V CB -0.470 31.339 31.823 -0.024 0.000 0.666 1073 V HN 0.450 nan 8.190 nan 0.000 0.456 1074 K N -0.132 120.266 120.400 -0.002 0.000 2.525 1074 K HA 0.040 4.359 4.320 -0.002 0.000 0.192 1074 K C 1.842 178.438 176.600 -0.006 0.000 1.029 1074 K CA 0.869 57.159 56.287 0.006 0.000 1.029 1074 K CB 0.080 32.583 32.500 0.005 0.000 0.814 1074 K HN 0.399 nan 8.250 nan 0.000 0.503 1075 S N 0.017 115.703 115.700 -0.022 0.000 2.604 1075 S HA 0.258 4.727 4.470 -0.002 0.000 0.235 1075 S C -0.151 174.413 174.600 -0.060 0.000 1.043 1075 S CA -0.461 57.718 58.200 -0.034 0.000 0.997 1075 S CB 0.510 63.691 63.200 -0.032 0.000 0.956 1075 S HN 0.062 nan 8.310 nan 0.000 0.535 1076 L N 1.167 122.345 121.223 -0.075 0.000 2.470 1076 L HA 0.549 4.889 4.340 -0.002 0.000 0.268 1076 L C 1.019 177.822 176.870 -0.111 0.000 0.964 1076 L CA -0.868 53.899 54.840 -0.122 0.000 0.839 1076 L CB 1.809 43.750 42.059 -0.196 0.000 1.276 1076 L HN 0.189 nan 8.230 nan 0.000 0.403 1077 G N 2.618 111.357 108.800 -0.102 0.000 2.781 1077 G HA2 0.033 3.992 3.960 -0.002 0.000 0.157 1077 G HA3 0.033 3.992 3.960 -0.002 0.000 0.157 1077 G C -1.282 173.458 174.900 -0.266 0.000 1.823 1077 G CA 0.408 45.478 45.100 -0.049 0.000 0.932 1077 G HN 0.520 nan 8.290 nan 0.000 0.398 1078 P HA 0.039 nan 4.420 nan 0.000 0.237 1078 P C 1.399 178.211 177.300 -0.813 0.000 1.178 1078 P CA 0.398 62.917 63.100 -0.969 0.000 0.766 1078 P CB 0.080 31.584 31.700 -0.326 0.000 0.876 1079 R N -0.138 120.065 120.500 -0.495 0.000 2.154 1079 R HA -0.111 4.228 4.340 -0.002 0.000 0.248 1079 R C 2.172 178.187 176.300 -0.475 0.000 1.155 1079 R CA 2.060 57.931 56.100 -0.382 0.000 0.979 1079 R CB -1.289 28.847 30.300 -0.274 0.000 0.869 1079 R HN 0.191 nan 8.270 nan 0.000 0.452 1080 T N 0.707 114.880 114.554 -0.635 0.000 2.721 1080 T HA -0.284 4.065 4.350 -0.002 0.000 0.268 1080 T C 1.709 176.128 174.700 -0.468 0.000 1.038 1080 T CA 1.746 63.502 62.100 -0.575 0.000 1.145 1080 T CB -0.204 68.286 68.868 -0.629 0.000 0.858 1080 T HN 0.446 nan 8.240 nan 0.000 0.459 1081 Q N 0.507 119.911 119.800 -0.660 0.000 2.226 1081 Q HA -0.164 4.175 4.340 -0.002 0.000 0.204 1081 Q C 2.193 178.109 176.000 -0.141 0.000 0.975 1081 Q CA 1.305 56.946 55.803 -0.271 0.000 0.866 1081 Q CB -0.108 28.495 28.738 -0.224 0.000 0.915 1081 Q HN 0.610 nan 8.270 nan 0.000 0.440 1082 Q N 0.110 119.781 119.800 -0.214 0.000 2.172 1082 Q HA 0.047 4.386 4.340 -0.002 0.000 0.200 1082 Q C 0.222 176.123 176.000 -0.164 0.000 0.964 1082 Q CA 0.140 55.848 55.803 -0.157 0.000 0.855 1082 Q CB 0.051 28.685 28.738 -0.173 0.000 0.918 1082 Q HN 0.385 nan 8.270 nan 0.000 0.444 1083 L N 2.585 123.648 121.223 -0.267 0.000 2.640 1083 L HA -0.136 4.203 4.340 -0.002 0.000 0.280 1083 L C 0.405 177.174 176.870 -0.169 0.000 1.229 1083 L CA 0.564 55.170 54.840 -0.390 0.000 0.919 1083 L CB -0.030 41.480 42.059 -0.915 0.000 1.168 1083 L HN 0.272 nan 8.230 nan 0.000 0.496 1084 Q N 1.845 121.576 119.800 -0.115 0.000 2.194 1084 Q HA 0.158 4.497 4.340 -0.002 0.000 0.245 1084 Q C 1.011 177.091 176.000 0.134 0.000 0.993 1084 Q CA -0.957 54.867 55.803 0.035 0.000 0.930 1084 Q CB 1.601 30.345 28.738 0.010 0.000 1.238 1084 Q HN 0.531 nan 8.270 nan 0.000 0.486 1085 I N 1.220 121.903 120.570 0.189 0.000 2.248 1085 I HA -0.311 3.858 4.170 -0.002 0.000 0.248 1085 I C 1.497 177.718 176.117 0.173 0.000 1.107 1085 I CA 1.852 63.290 61.300 0.229 0.000 1.373 1085 I CB -0.076 38.004 38.000 0.133 0.000 1.055 1085 I HN 0.617 nan 8.210 nan 0.000 0.418 1086 E N 0.716 120.968 120.200 0.088 0.000 2.051 1086 E HA -0.215 4.134 4.350 -0.002 0.000 0.192 1086 E C 2.001 178.620 176.600 0.033 0.000 0.991 1086 E CA 1.722 58.153 56.400 0.052 0.000 0.799 1086 E CB -0.470 29.241 29.700 0.018 0.000 0.748 1086 E HN 0.545 nan 8.360 nan 0.000 0.449 1087 D N -0.526 119.855 120.400 -0.033 0.000 2.104 1087 D HA -0.182 4.457 4.640 -0.002 0.000 0.194 1087 D C 1.858 178.103 176.300 -0.092 0.000 0.994 1087 D CA 1.013 54.933 54.000 -0.133 0.000 0.830 1087 D CB -0.376 40.246 40.800 -0.295 0.000 0.959 1087 D HN 0.307 nan 8.370 nan 0.000 0.452 1088 W N 0.838 122.138 121.300 0.000 0.000 2.355 1088 W HA -0.121 4.538 4.660 -0.000 0.000 0.309 1088 W C 2.310 178.835 176.519 0.011 0.000 1.206 1088 W CA -0.287 57.064 57.345 0.009 0.000 1.284 1088 W CB -0.507 28.963 29.460 0.018 0.000 1.145 1088 W HN -0.027 nan 8.180 nan 0.000 0.502 1089 L N 0.833 122.209 121.223 0.254 0.000 2.261 1089 L HA -0.110 4.229 4.340 -0.002 0.000 0.216 1089 L C 2.101 179.036 176.870 0.108 0.000 1.114 1089 L CA 2.139 57.070 54.840 0.152 0.000 0.777 1089 L CB -1.067 41.058 42.059 0.109 0.000 0.910 1089 L HN -0.015 nan 8.230 nan 0.000 0.440 1090 A N -1.186 121.686 122.820 0.087 0.000 1.878 1090 A HA -0.010 4.309 4.320 -0.002 0.000 0.213 1090 A C 2.185 179.804 177.584 0.058 0.000 1.192 1090 A CA 1.063 53.128 52.037 0.048 0.000 0.619 1090 A CB -0.629 18.377 19.000 0.009 0.000 0.837 1090 A HN 0.381 nan 8.150 nan 0.000 0.446 1091 L N -0.661 120.608 121.223 0.077 0.000 2.265 1091 L HA 0.028 4.367 4.340 -0.002 0.000 0.215 1091 L C -0.439 176.513 176.870 0.136 0.000 1.117 1091 L CA 0.665 55.562 54.840 0.095 0.000 0.782 1091 L CB -0.153 41.973 42.059 0.111 0.000 0.914 1091 L HN 0.307 nan 8.230 nan 0.000 0.441 1092 L N -1.544 119.772 121.223 0.156 0.000 2.491 1092 L HA 0.265 4.604 4.340 -0.002 0.000 0.267 1092 L C -0.131 176.801 176.870 0.104 0.000 0.971 1092 L CA -0.471 54.447 54.840 0.130 0.000 0.857 1092 L CB 1.650 43.797 42.059 0.147 0.000 1.226 1092 L HN -0.191 nan 8.230 nan 0.000 0.408 1093 E N 1.364 121.611 120.200 0.079 0.000 2.441 1093 E HA -0.011 4.338 4.350 -0.002 0.000 0.210 1093 E C -0.410 176.231 176.600 0.069 0.000 1.306 1093 E CA 0.295 56.735 56.400 0.067 0.000 1.307 1093 E CB 0.061 29.791 29.700 0.051 0.000 1.297 1093 E HN 0.360 nan 8.360 nan 0.000 0.440 1094 D N 0.088 120.536 120.400 0.080 0.000 2.492 1094 D HA 0.019 4.658 4.640 -0.002 0.000 0.248 1094 D C 0.542 176.893 176.300 0.085 0.000 1.101 1094 D CA -0.227 53.825 54.000 0.086 0.000 0.840 1094 D CB 1.552 42.409 40.800 0.096 0.000 1.209 1094 D HN -0.079 nan 8.370 nan 0.000 0.524 1095 E N 3.236 123.490 120.200 0.090 0.000 2.047 1095 E HA -0.226 4.123 4.350 -0.002 0.000 0.191 1095 E C 1.513 178.157 176.600 0.073 0.000 0.987 1095 E CA 1.316 57.763 56.400 0.079 0.000 0.799 1095 E CB -0.282 29.466 29.700 0.079 0.000 0.752 1095 E HN 0.623 nan 8.360 nan 0.000 0.449 1096 Y N 0.897 121.196 120.300 -0.002 0.000 2.049 1096 Y HA -0.219 4.330 4.550 -0.002 0.000 0.277 1096 Y C 1.998 177.874 175.900 -0.041 0.000 1.143 1096 Y CA 2.138 60.227 58.100 -0.018 0.000 1.115 1096 Y CB -0.650 37.802 38.460 -0.015 0.000 0.975 1096 Y HN 0.067 nan 8.280 nan 0.000 0.487 1097 L N -0.531 120.611 121.223 -0.134 0.000 2.051 1097 L HA -0.331 4.008 4.340 -0.002 0.000 0.214 1097 L C 2.498 179.189 176.870 -0.299 0.000 1.076 1097 L CA 1.829 56.529 54.840 -0.234 0.000 0.758 1097 L CB -0.800 41.238 42.059 -0.035 0.000 0.890 1097 L HN 0.249 nan 8.230 nan 0.000 0.433 1098 S N -0.643 114.952 115.700 -0.175 0.000 2.382 1098 S HA -0.197 4.272 4.470 -0.002 0.000 0.228 1098 S C 1.793 176.220 174.600 -0.288 0.000 1.027 1098 S CA 1.263 59.355 58.200 -0.179 0.000 0.991 1098 S CB -0.167 63.063 63.200 0.050 0.000 0.823 1098 S HN 0.467 nan 8.310 nan 0.000 0.469 1099 E N 0.746 120.804 120.200 -0.237 0.000 2.106 1099 E HA -0.107 4.242 4.350 -0.002 0.000 0.192 1099 E C 2.196 178.606 176.600 -0.316 0.000 0.984 1099 E CA 0.743 57.012 56.400 -0.219 0.000 0.806 1099 E CB -0.009 29.592 29.700 -0.165 0.000 0.750 1099 E HN 0.397 nan 8.360 nan 0.000 0.458 1100 E N 0.330 120.258 120.200 -0.453 0.000 2.051 1100 E HA -0.175 4.174 4.350 -0.002 0.000 0.192 1100 E C 2.054 178.390 176.600 -0.439 0.000 0.991 1100 E CA 0.930 57.061 56.400 -0.448 0.000 0.799 1100 E CB -0.093 29.292 29.700 -0.525 0.000 0.748 1100 E HN 0.284 nan 8.360 nan 0.000 0.449 1101 M N -0.212 119.040 119.600 -0.579 0.000 2.202 1101 M HA -0.131 4.348 4.480 -0.002 0.000 0.262 1101 M C 2.220 178.205 176.300 -0.526 0.000 1.063 1101 M CA 1.172 55.996 55.300 -0.793 0.000 1.097 1101 M CB -0.808 30.667 32.600 -1.874 0.000 1.382 1101 M HN 0.090 nan 8.290 nan 0.000 0.413 1102 M N 0.164 119.522 119.600 -0.404 0.000 2.200 1102 M HA -0.129 4.350 4.480 -0.002 0.000 0.265 1102 M C 1.970 178.233 176.300 -0.062 0.000 1.066 1102 M CA 1.535 56.781 55.300 -0.090 0.000 1.127 1102 M CB -0.334 32.243 32.600 -0.038 0.000 1.379 1102 M HN 0.204 nan 8.290 nan 0.000 0.420 1103 E N -0.230 119.877 120.200 -0.154 0.000 2.107 1103 E HA -0.097 4.252 4.350 -0.002 0.000 0.191 1103 E C 1.752 178.248 176.600 -0.173 0.000 0.982 1103 E CA 1.302 57.621 56.400 -0.136 0.000 0.809 1103 E CB -0.339 29.265 29.700 -0.160 0.000 0.756 1103 E HN 0.524 nan 8.360 nan 0.000 0.459 1104 L N -0.095 120.939 121.223 -0.315 0.000 1.961 1104 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 1104 L C 2.664 179.365 176.870 -0.282 0.000 1.072 1104 L CA 1.873 56.384 54.840 -0.548 0.000 0.749 1104 L CB -1.168 40.131 42.059 -1.267 0.000 0.889 1104 L HN 0.262 nan 8.230 nan 0.000 0.432 1105 T N -0.500 114.089 114.554 0.058 0.000 2.680 1105 T HA -0.325 4.024 4.350 -0.002 0.000 0.268 1105 T C 1.759 176.658 174.700 0.332 0.000 1.033 1105 T CA 1.853 64.288 62.100 0.559 0.000 1.152 1105 T CB -0.121 69.148 68.868 0.668 0.000 0.859 1105 T HN 0.458 nan 8.240 nan 0.000 0.452 1106 A N 1.107 124.021 122.820 0.156 0.000 1.858 1106 A HA -0.040 4.279 4.320 -0.002 0.000 0.216 1106 A C 2.449 180.069 177.584 0.059 0.000 1.190 1106 A CA 1.748 53.849 52.037 0.108 0.000 0.617 1106 A CB -0.668 18.363 19.000 0.053 0.000 0.827 1106 A HN 0.625 nan 8.150 nan 0.000 0.443 1107 R N -0.512 119.984 120.500 -0.008 0.000 2.083 1107 R HA -0.129 4.210 4.340 -0.002 0.000 0.237 1107 R C 2.413 178.692 176.300 -0.035 0.000 1.137 1107 R CA 1.325 57.402 56.100 -0.039 0.000 0.951 1107 R CB -0.552 29.693 30.300 -0.092 0.000 0.851 1107 R HN 0.507 nan 8.270 nan 0.000 0.434 1108 A N 0.755 123.552 122.820 -0.040 0.000 2.076 1108 A HA -0.158 4.161 4.320 -0.002 0.000 0.220 1108 A C 1.989 179.526 177.584 -0.079 0.000 1.160 1108 A CA 1.111 53.087 52.037 -0.101 0.000 0.653 1108 A CB -0.296 18.604 19.000 -0.167 0.000 0.801 1108 A HN 0.171 nan 8.150 nan 0.000 0.455 1109 L N -0.487 120.763 121.223 0.046 0.000 2.131 1109 L HA -0.027 4.312 4.340 -0.002 0.000 0.206 1109 L C 2.296 179.189 176.870 0.038 0.000 1.087 1109 L CA 2.157 57.052 54.840 0.091 0.000 0.767 1109 L CB -0.481 41.676 42.059 0.163 0.000 0.917 1109 L HN 0.613 nan 8.230 nan 0.000 0.441 1110 E N -1.016 119.196 120.200 0.020 0.000 2.110 1110 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 1110 E C 2.236 178.830 176.600 -0.010 0.000 0.988 1110 E CA 0.739 57.143 56.400 0.007 0.000 0.804 1110 E CB 0.073 29.772 29.700 -0.002 0.000 0.745 1110 E HN 0.267 nan 8.360 nan 0.000 0.458 1111 R N -0.337 120.145 120.500 -0.030 0.000 2.081 1111 R HA -0.075 4.265 4.340 -0.002 0.000 0.235 1111 R C 2.234 178.511 176.300 -0.039 0.000 1.131 1111 R CA 1.359 57.433 56.100 -0.043 0.000 0.960 1111 R CB -0.707 29.550 30.300 -0.072 0.000 0.856 1111 R HN 0.268 nan 8.270 nan 0.000 0.436 1112 G N 0.289 109.063 108.800 -0.042 0.000 3.026 1112 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.208 1112 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.208 1112 G C 0.314 175.217 174.900 0.005 0.000 1.169 1112 G CA -0.110 44.976 45.100 -0.025 0.000 0.788 1112 G HN 0.352 nan 8.290 nan 0.000 0.533 1113 N N -0.827 117.878 118.700 0.007 0.000 2.900 1113 N HA -0.201 4.538 4.740 -0.002 0.000 0.240 1113 N C 1.248 176.776 175.510 0.032 0.000 0.953 1113 N CA 1.747 54.807 53.050 0.016 0.000 0.950 1113 N CB -1.255 37.240 38.487 0.013 0.000 1.102 1113 N HN 1.095 nan 8.380 nan 0.000 0.593 1114 G N -0.522 108.306 108.800 0.047 0.000 2.161 1114 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.140 1114 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.140 1114 G C -0.747 174.205 174.900 0.087 0.000 1.040 1114 G CA -0.151 44.989 45.100 0.068 0.000 0.735 1114 G HN 0.214 nan 8.290 nan 0.000 0.496 1115 E N 0.308 120.563 120.200 0.091 0.000 2.502 1115 E HA 0.138 4.487 4.350 -0.002 0.000 0.261 1115 E C 0.007 176.696 176.600 0.148 0.000 0.974 1115 E CA -0.824 55.646 56.400 0.116 0.000 0.795 1115 E CB 0.923 30.668 29.700 0.074 0.000 1.385 1115 E HN 0.342 nan 8.360 nan 0.000 0.400 1116 W N 3.057 124.378 121.300 0.034 0.000 2.456 1116 W HA -0.129 4.530 4.660 -0.001 0.000 0.343 1116 W C 0.533 177.071 176.519 0.033 0.000 1.211 1116 W CA 2.085 59.454 57.345 0.041 0.000 1.353 1116 W CB 0.539 30.022 29.460 0.038 0.000 1.189 1116 W HN 0.602 nan 8.180 nan 0.000 0.587 1117 S N 1.392 116.704 115.700 -0.646 0.000 6.612 1117 S HA -0.018 4.451 4.470 -0.002 0.000 0.085 1117 S C 0.206 174.585 174.600 -0.369 0.000 1.265 1117 S CA 0.348 58.373 58.200 -0.293 0.000 1.330 1117 S CB 0.376 63.508 63.200 -0.113 0.000 1.817 1117 S HN 0.613 nan 8.310 nan 0.000 0.551 1118 T N 2.074 116.405 114.554 -0.372 0.000 2.937 1118 T HA 0.623 4.972 4.350 -0.002 0.000 0.283 1118 T C -1.747 172.791 174.700 -0.270 0.000 1.012 1118 T CA 0.318 62.272 62.100 -0.244 0.000 0.997 1118 T CB 1.539 70.325 68.868 -0.136 0.000 1.136 1118 T HN 0.588 nan 8.240 nan 0.000 0.551 1119 D N 0.669 121.004 120.400 -0.109 0.000 2.957 1119 D HA 0.393 5.032 4.640 -0.002 0.000 0.352 1119 D C 0.977 177.282 176.300 0.010 0.000 1.352 1119 D CA -0.421 53.580 54.000 0.002 0.000 0.831 1119 D CB -0.076 40.779 40.800 0.092 0.000 1.147 1119 D HN 0.456 nan 8.370 nan 0.000 0.467 1120 A N 0.561 123.363 122.820 -0.031 0.000 2.015 1120 A HA 0.166 4.485 4.320 -0.002 0.000 0.219 1120 A C 2.268 179.844 177.584 -0.013 0.000 1.163 1120 A CA 1.283 53.309 52.037 -0.018 0.000 0.646 1120 A CB -0.509 18.473 19.000 -0.031 0.000 0.806 1120 A HN 0.463 nan 8.150 nan 0.000 0.448 1121 A N 0.002 122.802 122.820 -0.033 0.000 2.076 1121 A HA -0.055 4.264 4.320 -0.002 0.000 0.220 1121 A C 2.060 179.615 177.584 -0.048 0.000 1.160 1121 A CA 1.390 53.389 52.037 -0.063 0.000 0.653 1121 A CB -0.566 18.360 19.000 -0.123 0.000 0.801 1121 A HN 0.515 nan 8.150 nan 0.000 0.455 1122 L N -1.121 120.113 121.223 0.017 0.000 1.943 1122 L HA -0.246 4.093 4.340 -0.002 0.000 0.215 1122 L C 2.648 179.551 176.870 0.055 0.000 1.074 1122 L CA 2.109 56.977 54.840 0.046 0.000 0.759 1122 L CB -0.821 41.280 42.059 0.070 0.000 0.888 1122 L HN 0.492 nan 8.230 nan 0.000 0.433 1123 E N -0.101 120.140 120.200 0.068 0.000 2.070 1123 E HA -0.235 4.115 4.350 -0.002 0.000 0.197 1123 E C 2.195 178.867 176.600 0.120 0.000 1.004 1123 E CA 1.806 58.295 56.400 0.148 0.000 0.805 1123 E CB 0.018 29.778 29.700 0.099 0.000 0.744 1123 E HN 0.239 nan 8.360 nan 0.000 0.451 1124 V N 0.924 120.867 119.914 0.048 0.000 2.252 1124 V HA -0.342 3.777 4.120 -0.002 0.000 0.249 1124 V C 2.347 178.449 176.094 0.014 0.000 1.056 1124 V CA 2.143 64.452 62.300 0.015 0.000 1.022 1124 V CB -0.806 31.008 31.823 -0.015 0.000 0.641 1124 V HN 0.455 nan 8.190 nan 0.000 0.445 1125 A N -0.865 121.961 122.820 0.009 0.000 1.968 1125 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 1125 A C 2.016 179.638 177.584 0.063 0.000 1.169 1125 A CA 1.478 53.516 52.037 0.001 0.000 0.638 1125 A CB -0.848 18.120 19.000 -0.052 0.000 0.812 1125 A HN 0.712 nan 8.150 nan 0.000 0.446 1126 H N 0.749 119.806 119.070 -0.022 0.000 2.568 1126 H HA -0.075 4.480 4.556 -0.001 0.000 0.285 1126 H C 1.735 177.061 175.328 -0.003 0.000 1.048 1126 H CA 1.201 57.247 56.048 -0.004 0.000 1.197 1126 H CB -0.063 29.703 29.762 0.007 0.000 1.343 1126 H HN 0.616 nan 8.280 nan 0.000 0.614 1127 E N 0.451 120.636 120.200 -0.026 0.000 2.285 1127 E HA -0.041 4.308 4.350 -0.002 0.000 0.194 1127 E C 0.945 177.498 176.600 -0.078 0.000 0.997 1127 E CA 0.683 57.037 56.400 -0.077 0.000 0.845 1127 E CB -0.477 29.202 29.700 -0.035 0.000 0.782 1127 E HN 0.434 nan 8.360 nan 0.000 0.491 1128 A N 2.621 125.413 122.820 -0.046 0.000 3.270 1128 A HA -0.050 4.269 4.320 -0.002 0.000 0.271 1128 A C -0.034 177.521 177.584 -0.048 0.000 2.082 1128 A CA 0.380 52.400 52.037 -0.029 0.000 1.509 1128 A CB -0.618 18.383 19.000 0.002 0.000 0.851 1128 A HN 0.182 nan 8.150 nan 0.000 0.589 1129 E N -0.205 119.958 120.200 -0.063 0.000 2.538 1129 E HA 0.915 5.264 4.350 -0.002 0.000 0.232 1129 E C 0.021 176.597 176.600 -0.041 0.000 0.830 1129 E CA -0.099 56.263 56.400 -0.064 0.000 0.916 1129 E CB 1.265 30.907 29.700 -0.096 0.000 1.567 1129 E HN 0.877 nan 8.360 nan 0.000 0.389 1130 A N 0.000 122.798 122.820 -0.037 0.000 2.254 1130 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 1130 A CA 0.000 nan 52.037 nan 0.000 0.836 1130 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 1130 A HN 0.000 nan 8.150 nan 0.000 0.486