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 1ulv_1_A DATA FIRST_RESID 2 DATA SEQUENCE TAEPPGSPGA AATWTKGDKE GVGTSLNPAS KVWYTLTEGT MSEVYYPHAD DATA SEQUENCE TPNTRELQFA VSDGTSAQRE SEQTTRTVEL ADPKALSYRQ TTTDNAGRWR DATA SEQUENCE LTKTYVTDPR RSTVMLGVTF EVLDGGDYQL FVLSDPSLAG TSGGDTGSVT DATA SEQUENCE DGALLASDLA DAATPVATAL VSSVGFGAVA NGYVGTSDGW TDLAADGRLD DATA SEQUENCE NASATAGPGN ISQTGQIPLA AGGKTEFSLA LGFGADTAEA LATAKASLGT DATA SEQUENCE GYKKVSKSYT GEWKKYLNSL DAPATSLTGA LRTQYDVSLM TVKSHEDKTF DATA SEQUENCE PGAFIASLTI PWGQAASAET HREGYHAVWA RDMYQSVTAL LAAGDEEAAA DATA SEQUENCE RGVEWLFTYQ QQPDGHFPQT SRVDGTIGQN GIQLDETAFP ILLANQIGRT DATA SEQUENCE DAGFYRNELK PAADYLVAAG PKTPQERWEE TGGYSTSTLA SQIAALAAAA DATA SEQUENCE DIAGKNGDAG SAAVYRATAD EWQRSTEKWM FTTNGPVGDG KYYLRISATG DATA SEQUENCE NPNDGATRDW GNGAGVHPEN AVLDGGFLEF VRLGVKAPAD PYVADSLAET DATA SEQUENCE DASISQETPG GRMWHRYTYD GYGEKADGSP WDGTGIGRLW PLLSGERGEY DATA SEQUENCE ALANGQDALP YLETMHSAAN AGYMIPEQVW DRDEPTSYGH ELGRSTGSAS DATA SEQUENCE PLSWAMAQYV RLAAGVKAGA PVETPQNVAA RYAAGTPLSS PELSVTAPEA DATA SEQUENCE LSTADSATAV VRGTTNAAKV YVSVNGTATE APVTDGTFSL DVALTGAKNK DATA SEQUENCE VTVAAVAADG GTAVEDRTVL YYGSRIGALS DPAGDDNGPG TYRYPTNSAY DATA SEQUENCE VPGAFDLTGV DVYDAGDDYA FVATIAGEVT NPWGGQAISH QRVNIYLGKG DATA SEQUENCE EGGATPGLPG TNINLEHAWD SVIVTDGRFD GAGVYAPDGT RTSAVSLLAV DATA SEQUENCE PEARQIVTRV PKAALGGLDP ATARMSVAMF GNAESGEGIG NVRPVYDGAY DATA SEQUENCE WEAGDPAWIK EWRFGGGAGV FDGTIPSRDT DTDDPNALDV LVGEGQTQAA DATA SEQUENCE VLDWRAGSPV VVPMLGLQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.706 174.700 0.011 0.000 1.109 2 T CA 0.000 62.104 62.100 0.006 0.000 1.349 2 T CB 0.000 68.872 68.868 0.006 0.000 0.612 3 A N 3.105 125.929 122.820 0.007 0.000 2.350 3 A HA 0.613 4.886 4.320 -0.078 0.000 0.293 3 A C 0.419 178.013 177.584 0.018 0.000 1.231 3 A CA -0.452 51.592 52.037 0.011 0.000 0.883 3 A CB 0.079 19.081 19.000 0.003 0.000 1.133 3 A HN 0.699 nan 8.150 nan 0.000 0.533 4 E N 3.714 123.940 120.200 0.044 0.000 2.249 4 E HA 0.352 4.655 4.350 -0.078 0.000 0.280 4 E C -2.230 174.429 176.600 0.098 0.000 1.016 4 E CA -1.740 54.709 56.400 0.082 0.000 0.830 4 E CB 0.898 30.700 29.700 0.169 0.000 1.081 4 E HN 0.546 nan 8.360 nan 0.000 0.395 5 P HA 0.145 nan 4.420 nan 0.000 0.270 5 P C -2.452 174.969 177.300 0.201 0.000 1.223 5 P CA -1.125 62.014 63.100 0.066 0.000 0.785 5 P CB -0.261 31.420 31.700 -0.032 0.000 0.923 6 P HA 0.070 nan 4.420 nan 0.000 0.269 6 P C 0.719 178.128 177.300 0.182 0.000 1.215 6 P CA 0.671 63.839 63.100 0.112 0.000 0.780 6 P CB 0.378 32.103 31.700 0.040 0.000 0.898 7 G N 0.325 109.144 108.800 0.031 0.000 2.336 7 G HA2 -0.209 3.704 3.960 -0.078 0.000 0.194 7 G HA3 -0.209 3.704 3.960 -0.078 0.000 0.194 7 G C 0.402 175.044 174.900 -0.431 0.000 0.999 7 G CA 0.124 45.200 45.100 -0.040 0.000 0.669 7 G HN 0.786 nan 8.290 nan 0.000 0.482 8 S N 2.111 117.222 115.700 -0.981 0.000 2.599 8 S HA 0.346 4.769 4.470 -0.078 0.000 0.303 8 S C -0.127 174.147 174.600 -0.543 0.000 1.267 8 S CA 0.528 57.941 58.200 -1.312 0.000 1.055 8 S CB 0.978 63.662 63.200 -0.859 0.000 0.790 8 S HN 0.374 nan 8.310 nan 0.000 0.500 9 P HA 0.294 nan 4.420 nan 0.000 0.261 9 P C 0.393 177.556 177.300 -0.228 0.000 1.352 9 P CA 0.315 63.177 63.100 -0.397 0.000 0.891 9 P CB -0.595 31.003 31.700 -0.169 0.000 1.383 10 G N 0.060 108.735 108.800 -0.210 0.000 2.629 10 G HA2 0.195 4.108 3.960 -0.078 0.000 0.686 10 G HA3 0.195 4.108 3.960 -0.078 0.000 0.686 10 G C -0.439 174.448 174.900 -0.021 0.000 1.232 10 G CA -0.572 44.535 45.100 0.012 0.000 0.803 10 G HN 0.356 nan 8.290 nan 0.000 0.638 11 A N 0.533 123.353 122.820 0.000 0.000 2.346 11 A HA 0.918 5.191 4.320 -0.078 0.000 0.252 11 A C 1.222 178.790 177.584 -0.027 0.000 1.089 11 A CA 1.039 53.067 52.037 -0.015 0.000 0.797 11 A CB 0.381 19.379 19.000 -0.002 0.000 1.047 11 A HN 2.621 nan 8.150 nan 0.000 0.494 12 A N 0.069 122.871 122.820 -0.030 0.000 2.477 12 A HA 0.558 4.831 4.320 -0.078 0.000 0.246 12 A C 0.539 178.093 177.584 -0.051 0.000 1.078 12 A CA 0.477 52.490 52.037 -0.040 0.000 0.770 12 A CB -0.298 18.686 19.000 -0.028 0.000 1.011 12 A HN 2.146 nan 8.150 nan 0.000 0.494 13 A N 1.675 124.442 122.820 -0.088 0.000 2.387 13 A HA 0.884 5.157 4.320 -0.078 0.000 0.303 13 A C 0.107 177.596 177.584 -0.159 0.000 1.145 13 A CA -0.136 51.828 52.037 -0.122 0.000 0.801 13 A CB 1.477 20.374 19.000 -0.171 0.000 1.342 13 A HN 1.038 nan 8.150 nan 0.000 0.440 14 T N -1.401 113.057 114.554 -0.159 0.000 2.773 14 T HA 0.587 4.890 4.350 -0.078 0.000 0.278 14 T C -0.642 173.930 174.700 -0.214 0.000 1.011 14 T CA -0.330 61.695 62.100 -0.126 0.000 1.014 14 T CB 0.481 69.359 68.868 0.018 0.000 1.293 14 T HN 0.564 nan 8.240 nan 0.000 0.554 15 W N 0.095 121.439 121.300 0.072 0.000 2.090 15 W HA 0.546 5.159 4.660 -0.079 0.000 0.609 15 W C 0.533 177.087 176.519 0.057 0.000 1.671 15 W CA -0.411 56.975 57.345 0.068 0.000 1.756 15 W CB 0.117 29.634 29.460 0.094 0.000 2.998 15 W HN 0.398 nan 8.180 nan 0.000 0.761 16 T N 0.306 115.097 114.554 0.395 0.000 2.942 16 T HA 0.286 4.589 4.350 -0.078 0.000 0.289 16 T C -0.700 174.083 174.700 0.138 0.000 1.044 16 T CA -0.955 61.269 62.100 0.206 0.000 1.023 16 T CB 1.230 70.199 68.868 0.169 0.000 1.123 16 T HN 0.167 nan 8.240 nan 0.000 0.512 17 K N 0.419 120.865 120.400 0.078 0.000 2.469 17 K HA 0.334 4.607 4.320 -0.078 0.000 0.274 17 K C 1.431 177.991 176.600 -0.066 0.000 0.983 17 K CA -0.075 56.219 56.287 0.013 0.000 0.974 17 K CB 0.024 32.528 32.500 0.007 0.000 0.913 17 K HN 0.605 nan 8.250 nan 0.000 0.493 18 G N 1.354 110.038 108.800 -0.192 0.000 2.471 18 G HA2 -0.217 3.696 3.960 -0.078 0.000 0.219 18 G HA3 -0.217 3.696 3.960 -0.078 0.000 0.219 18 G C 0.004 174.765 174.900 -0.231 0.000 1.125 18 G CA 0.324 45.264 45.100 -0.267 0.000 0.775 18 G HN 0.861 nan 8.290 nan 0.000 0.548 19 D N 1.188 121.466 120.400 -0.203 0.000 2.398 19 D HA 0.132 4.725 4.640 -0.078 0.000 0.250 19 D C 0.109 176.334 176.300 -0.124 0.000 1.287 19 D CA -0.045 53.855 54.000 -0.168 0.000 0.992 19 D CB 0.124 40.842 40.800 -0.138 0.000 1.071 19 D HN -0.068 nan 8.370 nan 0.000 0.514 20 K N 2.823 123.144 120.400 -0.132 0.000 2.143 20 K HA 0.179 4.452 4.320 -0.078 0.000 0.272 20 K C 0.989 177.496 176.600 -0.155 0.000 1.001 20 K CA -0.378 55.834 56.287 -0.126 0.000 0.915 20 K CB 1.156 33.583 32.500 -0.122 0.000 1.047 20 K HN 0.407 nan 8.250 nan 0.000 0.458 21 E N 0.536 120.635 120.200 -0.168 0.000 2.216 21 E HA 0.025 4.328 4.350 -0.078 0.000 0.192 21 E C 0.597 176.965 176.600 -0.386 0.000 0.988 21 E CA 0.326 56.606 56.400 -0.200 0.000 0.834 21 E CB 0.364 29.979 29.700 -0.142 0.000 0.772 21 E HN 0.756 nan 8.360 nan 0.000 0.479 22 G N -0.110 108.400 108.800 -0.483 0.000 2.489 22 G HA2 0.416 4.329 3.960 -0.078 0.000 0.291 22 G HA3 0.416 4.329 3.960 -0.078 0.000 0.291 22 G C -1.326 173.264 174.900 -0.517 0.000 1.487 22 G CA -0.374 44.212 45.100 -0.856 0.000 0.795 22 G HN 0.137 nan 8.290 nan 0.000 0.513 23 V N -2.117 117.547 119.914 -0.416 0.000 3.160 23 V HA 1.092 5.165 4.120 -0.078 0.000 0.310 23 V C 0.148 175.934 176.094 -0.513 0.000 1.181 23 V CA -0.316 61.727 62.300 -0.429 0.000 1.047 23 V CB 1.629 33.325 31.823 -0.211 0.000 1.068 23 V HN 2.399 nan 8.190 nan 0.000 0.441 24 G N -0.551 107.767 108.800 -0.803 0.000 2.616 24 G HA2 0.655 4.568 3.960 -0.078 0.000 0.294 24 G HA3 0.655 4.568 3.960 -0.078 0.000 0.294 24 G C -1.134 173.759 174.900 -0.012 0.000 1.489 24 G CA 0.156 45.024 45.100 -0.388 0.000 0.836 24 G HN 1.332 nan 8.290 nan 0.000 0.527 25 T N -0.744 114.009 114.554 0.332 0.000 2.886 25 T HA 0.633 4.936 4.350 -0.078 0.000 0.330 25 T C 0.238 175.238 174.700 0.500 0.000 1.488 25 T CA 0.297 62.534 62.100 0.228 0.000 1.054 25 T CB 1.285 69.959 68.868 -0.323 0.000 1.348 25 T HN 1.678 nan 8.240 nan 0.000 0.489 26 S N 3.615 119.480 115.700 0.276 0.000 2.593 26 S HA 0.334 4.757 4.470 -0.078 0.000 0.269 26 S C 1.405 175.769 174.600 -0.394 0.000 1.334 26 S CA -0.858 57.348 58.200 0.010 0.000 1.015 26 S CB 0.717 63.941 63.200 0.041 0.000 0.912 26 S HN 0.665 nan 8.310 nan 0.000 0.541 27 L N 1.080 121.768 121.223 -0.893 0.000 2.156 27 L HA 0.092 4.385 4.340 -0.078 0.000 0.208 27 L C 0.836 177.388 176.870 -0.530 0.000 1.095 27 L CA 1.330 55.566 54.840 -1.007 0.000 0.770 27 L CB -1.452 39.836 42.059 -1.286 0.000 0.914 27 L HN 0.832 nan 8.230 nan 0.000 0.439 28 N N 1.945 120.408 118.700 -0.396 0.000 2.447 28 N HA -0.008 4.685 4.740 -0.078 0.000 0.263 28 N C -1.747 173.634 175.510 -0.215 0.000 1.226 28 N CA -1.054 51.846 53.050 -0.249 0.000 0.906 28 N CB 1.192 39.573 38.487 -0.176 0.000 1.060 28 N HN 0.166 nan 8.380 nan 0.000 0.468 29 P HA -0.004 nan 4.420 nan 0.000 0.242 29 P C 0.525 177.763 177.300 -0.105 0.000 1.197 29 P CA 0.415 63.430 63.100 -0.142 0.000 0.765 29 P CB 0.227 31.863 31.700 -0.107 0.000 0.936 30 A N 0.021 122.787 122.820 -0.091 0.000 2.014 30 A HA -0.010 4.263 4.320 -0.078 0.000 0.218 30 A C 1.694 179.255 177.584 -0.039 0.000 1.163 30 A CA 0.735 52.743 52.037 -0.049 0.000 0.652 30 A CB -0.867 18.110 19.000 -0.039 0.000 0.808 30 A HN 0.247 nan 8.150 nan 0.000 0.449 31 S N 0.942 116.592 115.700 -0.083 0.000 2.409 31 S HA 0.264 4.687 4.470 -0.078 0.000 0.308 31 S C 0.166 174.659 174.600 -0.178 0.000 1.080 31 S CA -0.609 57.543 58.200 -0.080 0.000 1.081 31 S CB -0.074 63.080 63.200 -0.077 0.000 1.009 31 S HN 0.257 nan 8.310 nan 0.000 0.502 32 K N 3.636 124.010 120.400 -0.044 0.000 3.100 32 K HA 0.190 4.463 4.320 -0.078 0.000 0.256 32 K C -0.172 176.465 176.600 0.062 0.000 1.146 32 K CA 0.021 56.301 56.287 -0.012 0.000 1.233 32 K CB -0.309 32.309 32.500 0.196 0.000 1.226 32 K HN 0.411 nan 8.250 nan 0.000 0.442 33 V N -0.326 119.452 119.914 -0.227 0.000 2.735 33 V HA 0.552 4.625 4.120 -0.078 0.000 0.310 33 V C -1.641 174.381 176.094 -0.120 0.000 1.061 33 V CA -0.904 61.365 62.300 -0.051 0.000 0.913 33 V CB 1.897 33.659 31.823 -0.102 0.000 1.005 33 V HN 0.336 nan 8.190 nan 0.000 0.428 34 W N 7.196 128.546 121.300 0.083 0.000 2.715 34 W HA 0.440 5.053 4.660 -0.078 0.000 0.331 34 W C -1.075 175.546 176.519 0.171 0.000 1.031 34 W CA -0.698 56.707 57.345 0.100 0.000 1.237 34 W CB 1.847 31.317 29.460 0.015 0.000 1.378 34 W HN 0.787 nan 8.180 nan 0.000 0.454 35 Y N 0.691 121.158 120.300 0.278 0.000 2.457 35 Y HA 0.786 5.289 4.550 -0.078 0.000 0.333 35 Y C -0.097 175.880 175.900 0.128 0.000 1.119 35 Y CA -0.849 57.363 58.100 0.187 0.000 1.143 35 Y CB 1.372 39.912 38.460 0.134 0.000 1.230 35 Y HN 0.215 nan 8.280 nan 0.000 0.469 36 T N 2.089 116.752 114.554 0.181 0.000 2.906 36 T HA 0.736 5.039 4.350 -0.078 0.000 0.295 36 T C -1.185 173.535 174.700 0.034 0.000 1.061 36 T CA -0.933 61.182 62.100 0.024 0.000 1.000 36 T CB 1.438 70.346 68.868 0.066 0.000 1.103 36 T HN 0.809 nan 8.240 nan 0.000 0.486 37 L N 1.774 122.951 121.223 -0.077 0.000 2.346 37 L HA 0.714 5.007 4.340 -0.078 0.000 0.276 37 L C -0.350 176.475 176.870 -0.076 0.000 1.006 37 L CA -0.807 53.965 54.840 -0.114 0.000 0.817 37 L CB 2.384 44.320 42.059 -0.205 0.000 1.272 37 L HN 0.835 nan 8.230 nan 0.000 0.421 38 T N 1.341 115.875 114.554 -0.032 0.000 3.031 38 T HA 0.214 4.517 4.350 -0.078 0.000 0.305 38 T C -0.464 174.236 174.700 0.000 0.000 0.985 38 T CA -0.540 61.550 62.100 -0.018 0.000 1.008 38 T CB 1.469 70.340 68.868 0.006 0.000 1.005 38 T HN 0.573 nan 8.240 nan 0.000 0.444 39 E N 1.738 121.934 120.200 -0.007 0.000 2.269 39 E HA -0.279 4.024 4.350 -0.078 0.000 0.223 39 E C 1.112 177.728 176.600 0.027 0.000 1.244 39 E CA 1.374 57.778 56.400 0.006 0.000 0.713 39 E CB -1.565 28.137 29.700 0.004 0.000 1.178 39 E HN 1.419 nan 8.360 nan 0.000 0.370 40 G N -1.036 107.792 108.800 0.046 0.000 2.175 40 G HA2 -0.331 3.582 3.960 -0.078 0.000 0.244 40 G HA3 -0.331 3.582 3.960 -0.078 0.000 0.244 40 G C 0.431 175.407 174.900 0.127 0.000 0.982 40 G CA 1.266 46.420 45.100 0.090 0.000 0.641 40 G HN 0.969 nan 8.290 nan 0.000 0.527 41 T N -2.727 111.885 114.554 0.096 0.000 2.858 41 T HA 0.753 5.056 4.350 -0.078 0.000 0.285 41 T C 0.076 174.831 174.700 0.091 0.000 1.052 41 T CA -0.144 62.027 62.100 0.118 0.000 1.009 41 T CB 2.101 71.009 68.868 0.067 0.000 1.241 41 T HN 0.757 nan 8.240 nan 0.000 0.542 42 M N 2.816 122.488 119.600 0.120 0.000 2.157 42 M HA 0.440 4.873 4.480 -0.078 0.000 0.354 42 M C 0.344 176.696 176.300 0.087 0.000 1.170 42 M CA -0.423 54.922 55.300 0.074 0.000 1.060 42 M CB 1.049 33.762 32.600 0.189 0.000 1.615 42 M HN 1.001 nan 8.290 nan 0.000 0.460 43 S N 3.421 119.166 115.700 0.076 0.000 2.713 43 S HA 0.386 4.809 4.470 -0.078 0.000 0.213 43 S C -0.295 174.381 174.600 0.127 0.000 1.176 43 S CA -0.552 57.708 58.200 0.100 0.000 1.256 43 S CB -0.199 63.051 63.200 0.084 0.000 0.951 43 S HN 0.728 nan 8.310 nan 0.000 0.506 44 E N 0.592 120.861 120.200 0.115 0.000 2.384 44 E HA 0.464 4.767 4.350 -0.078 0.000 0.266 44 E C -1.176 175.434 176.600 0.017 0.000 1.012 44 E CA -0.030 56.383 56.400 0.022 0.000 0.901 44 E CB 0.583 30.178 29.700 -0.175 0.000 0.967 44 E HN 0.345 nan 8.360 nan 0.000 0.435 45 V N 4.140 124.038 119.914 -0.027 0.000 2.448 45 V HA 0.273 4.346 4.120 -0.078 0.000 0.295 45 V C -0.931 175.081 176.094 -0.135 0.000 1.025 45 V CA -0.775 61.573 62.300 0.079 0.000 0.859 45 V CB 0.574 32.518 31.823 0.202 0.000 0.988 45 V HN 0.585 nan 8.190 nan 0.000 0.431 46 Y N 4.534 124.878 120.300 0.074 0.000 2.320 46 Y HA 0.690 5.193 4.550 -0.079 0.000 0.324 46 Y C -0.322 175.682 175.900 0.173 0.000 1.190 46 Y CA -0.168 57.950 58.100 0.030 0.000 1.215 46 Y CB 1.459 39.823 38.460 -0.160 0.000 1.221 46 Y HN 0.682 nan 8.280 nan 0.000 0.486 47 Y N 3.944 124.277 120.300 0.056 0.000 2.554 47 Y HA 0.183 4.686 4.550 -0.078 0.000 0.338 47 Y C -2.678 173.228 175.900 0.010 0.000 1.247 47 Y CA -1.745 56.377 58.100 0.036 0.000 1.255 47 Y CB 1.645 39.928 38.460 -0.295 0.000 1.346 47 Y HN 0.301 nan 8.280 nan 0.000 0.481 48 P HA 0.074 nan 4.420 nan 0.000 0.240 48 P C -0.445 176.797 177.300 -0.096 0.000 1.190 48 P CA 1.161 63.664 63.100 -0.996 0.000 0.781 48 P CB 0.689 31.681 31.700 -1.180 0.000 0.931 49 H N -0.769 118.254 119.070 -0.078 0.000 2.573 49 H HA 0.477 4.985 4.556 -0.079 0.000 0.351 49 H C 1.150 176.249 175.328 -0.381 0.000 1.163 49 H CA -0.992 55.001 56.048 -0.091 0.000 1.205 49 H CB 1.230 30.953 29.762 -0.064 0.000 1.605 49 H HN -0.159 nan 8.280 nan 0.000 0.525 50 A N 1.027 123.411 122.820 -0.726 0.000 2.225 50 A HA -0.149 4.124 4.320 -0.078 0.000 0.215 50 A C 0.852 178.066 177.584 -0.617 0.000 1.164 50 A CA 1.484 52.770 52.037 -1.251 0.000 0.710 50 A CB -0.627 17.525 19.000 -1.412 0.000 0.780 50 A HN 0.692 nan 8.150 nan 0.000 0.473 51 D N -2.101 118.158 120.400 -0.234 0.000 2.388 51 D HA 0.114 4.707 4.640 -0.078 0.000 0.221 51 D C -0.203 176.083 176.300 -0.023 0.000 1.133 51 D CA 0.195 54.181 54.000 -0.024 0.000 0.831 51 D CB -0.297 40.534 40.800 0.052 0.000 0.962 51 D HN 0.020 nan 8.370 nan 0.000 0.502 52 T N 2.666 117.213 114.554 -0.012 0.000 2.930 52 T HA 0.371 4.674 4.350 -0.078 0.000 0.313 52 T C -2.874 171.690 174.700 -0.227 0.000 1.019 52 T CA -1.251 60.794 62.100 -0.091 0.000 1.004 52 T CB 2.499 71.353 68.868 -0.024 0.000 0.987 52 T HN 0.009 nan 8.240 nan 0.000 0.456 53 P HA 0.404 nan 4.420 nan 0.000 0.282 53 P C -0.278 176.904 177.300 -0.196 0.000 1.249 53 P CA -0.549 61.992 63.100 -0.933 0.000 0.806 53 P CB 1.266 32.216 31.700 -1.250 0.000 0.984 54 N N -0.246 118.429 118.700 -0.041 0.000 2.118 54 N HA 0.093 4.786 4.740 -0.078 0.000 0.226 54 N C -0.338 175.324 175.510 0.253 0.000 1.305 54 N CA 0.182 53.364 53.050 0.220 0.000 0.890 54 N CB 0.975 39.672 38.487 0.350 0.000 1.118 54 N HN 0.370 nan 8.380 nan 0.000 0.511 55 T N -0.313 114.389 114.554 0.246 0.000 2.906 55 T HA 0.391 4.694 4.350 -0.078 0.000 0.295 55 T C 0.886 175.754 174.700 0.279 0.000 1.061 55 T CA -0.522 61.710 62.100 0.219 0.000 1.000 55 T CB 3.419 72.401 68.868 0.189 0.000 1.103 55 T HN -0.065 nan 8.240 nan 0.000 0.486 56 R N 0.406 120.998 120.500 0.154 0.000 2.243 56 R HA 0.324 4.617 4.340 -0.078 0.000 0.193 56 R C -0.038 176.322 176.300 0.100 0.000 0.933 56 R CA 0.274 56.454 56.100 0.134 0.000 1.105 56 R CB 0.631 30.924 30.300 -0.011 0.000 1.169 56 R HN 0.714 nan 8.270 nan 0.000 0.599 57 E N 0.354 120.590 120.200 0.061 0.000 2.451 57 E HA 0.194 4.497 4.350 -0.078 0.000 0.295 57 E C -2.214 174.399 176.600 0.021 0.000 0.966 57 E CA -0.463 55.963 56.400 0.043 0.000 0.808 57 E CB 1.742 31.451 29.700 0.016 0.000 1.242 57 E HN 0.109 nan 8.360 nan 0.000 0.412 58 L N 4.976 126.217 121.223 0.030 0.000 2.406 58 L HA 0.497 4.790 4.340 -0.078 0.000 0.270 58 L C -1.178 175.681 176.870 -0.018 0.000 0.982 58 L CA 0.002 54.835 54.840 -0.012 0.000 0.843 58 L CB 1.083 43.155 42.059 0.022 0.000 1.225 58 L HN 0.717 nan 8.230 nan 0.000 0.412 59 Q N 2.891 122.629 119.800 -0.103 0.000 2.693 59 Q HA 0.561 4.854 4.340 -0.078 0.000 0.306 59 Q C -1.702 174.170 176.000 -0.214 0.000 0.969 59 Q CA -0.908 54.863 55.803 -0.054 0.000 0.757 59 Q CB 1.820 30.573 28.738 0.025 0.000 1.494 59 Q HN 0.424 nan 8.270 nan 0.000 0.459 60 F N 0.001 119.974 119.950 0.038 0.000 2.483 60 F HA 0.855 5.335 4.527 -0.078 0.000 0.329 60 F C -0.169 175.634 175.800 0.005 0.000 1.064 60 F CA -0.478 57.536 58.000 0.024 0.000 0.986 60 F CB 2.369 41.363 39.000 -0.010 0.000 1.218 60 F HN 0.751 nan 8.300 nan 0.000 0.484 61 A N 1.432 124.396 122.820 0.240 0.000 2.414 61 A HA 0.762 5.035 4.320 -0.078 0.000 0.306 61 A C -1.775 175.890 177.584 0.134 0.000 1.054 61 A CA -0.788 51.356 52.037 0.179 0.000 0.724 61 A CB 1.810 20.962 19.000 0.253 0.000 1.267 61 A HN 0.659 nan 8.150 nan 0.000 0.418 62 V N 1.533 121.417 119.914 -0.050 0.000 2.709 62 V HA 0.830 4.903 4.120 -0.078 0.000 0.308 62 V C -0.307 175.780 176.094 -0.012 0.000 1.062 62 V CA 0.082 62.253 62.300 -0.216 0.000 0.901 62 V CB 1.958 33.238 31.823 -0.904 0.000 1.003 62 V HN 1.335 nan 8.190 nan 0.000 0.425 63 S N 2.829 118.639 115.700 0.182 0.000 2.634 63 S HA 0.601 5.024 4.470 -0.078 0.000 0.296 63 S C 0.010 174.796 174.600 0.310 0.000 1.104 63 S CA 0.076 58.421 58.200 0.243 0.000 0.920 63 S CB 1.995 65.340 63.200 0.243 0.000 1.111 63 S HN 0.997 nan 8.310 nan 0.000 0.493 64 D N 0.413 120.946 120.400 0.221 0.000 2.417 64 D HA 0.322 4.915 4.640 -0.078 0.000 0.207 64 D C 1.238 177.542 176.300 0.006 0.000 1.075 64 D CA 0.729 54.750 54.000 0.036 0.000 0.851 64 D CB 0.097 40.896 40.800 -0.001 0.000 0.976 64 D HN 0.943 nan 8.370 nan 0.000 0.505 65 G N -0.993 107.846 108.800 0.064 0.000 2.336 65 G HA2 -0.237 3.675 3.960 -0.078 0.000 0.194 65 G HA3 -0.237 3.675 3.960 -0.078 0.000 0.194 65 G C 1.187 176.102 174.900 0.024 0.000 0.999 65 G CA 0.372 45.497 45.100 0.041 0.000 0.669 65 G HN 0.313 nan 8.290 nan 0.000 0.482 66 T N 0.170 114.742 114.554 0.030 0.000 3.026 66 T HA 0.479 4.782 4.350 -0.078 0.000 0.245 66 T C 0.742 175.457 174.700 0.025 0.000 1.004 66 T CA 1.362 63.473 62.100 0.019 0.000 1.069 66 T CB 0.482 69.364 68.868 0.023 0.000 1.005 66 T HN 0.383 nan 8.240 nan 0.000 0.472 67 S N 0.316 116.054 115.700 0.063 0.000 2.569 67 S HA 0.835 5.258 4.470 -0.078 0.000 0.280 67 S C -0.956 173.719 174.600 0.125 0.000 1.111 67 S CA -0.857 57.390 58.200 0.079 0.000 0.887 67 S CB 2.177 65.444 63.200 0.112 0.000 1.095 67 S HN 0.494 nan 8.310 nan 0.000 0.476 68 A N 1.591 124.488 122.820 0.128 0.000 2.423 68 A HA 0.856 5.129 4.320 -0.078 0.000 0.304 68 A C -1.276 176.537 177.584 0.381 0.000 1.104 68 A CA -0.727 51.434 52.037 0.207 0.000 0.757 68 A CB 1.438 20.516 19.000 0.131 0.000 1.313 68 A HN 0.703 nan 8.150 nan 0.000 0.423 69 Q N 0.246 120.267 119.800 0.370 0.000 2.389 69 Q HA 0.442 4.735 4.340 -0.078 0.000 0.277 69 Q C -1.117 174.983 176.000 0.166 0.000 1.082 69 Q CA -0.721 55.298 55.803 0.361 0.000 0.810 69 Q CB 2.915 31.916 28.738 0.440 0.000 1.374 69 Q HN 0.733 nan 8.270 nan 0.000 0.422 70 R N 1.210 121.641 120.500 -0.115 0.000 2.368 70 R HA 0.073 4.366 4.340 -0.078 0.000 0.302 70 R C 0.974 177.278 176.300 0.006 0.000 1.002 70 R CA -0.189 55.765 56.100 -0.244 0.000 0.929 70 R CB 0.847 30.746 30.300 -0.668 0.000 1.073 70 R HN 0.764 nan 8.270 nan 0.000 0.464 71 E N 0.899 121.158 120.200 0.098 0.000 2.338 71 E HA -0.156 4.147 4.350 -0.078 0.000 0.197 71 E C 0.834 177.490 176.600 0.093 0.000 1.007 71 E CA 1.361 57.875 56.400 0.189 0.000 0.849 71 E CB 0.096 29.945 29.700 0.247 0.000 0.774 71 E HN 0.543 nan 8.360 nan 0.000 0.506 72 S N 0.138 115.842 115.700 0.007 0.000 2.607 72 S HA 0.002 4.425 4.470 -0.078 0.000 0.224 72 S C 1.379 175.961 174.600 -0.031 0.000 0.969 72 S CA 0.291 58.480 58.200 -0.019 0.000 0.927 72 S CB 0.080 63.243 63.200 -0.062 0.000 0.772 72 S HN 0.310 nan 8.310 nan 0.000 0.533 73 E N 0.271 120.458 120.200 -0.021 0.000 2.460 73 E HA 0.125 4.428 4.350 -0.078 0.000 0.200 73 E C -0.220 176.396 176.600 0.027 0.000 1.011 73 E CA -0.055 56.342 56.400 -0.005 0.000 0.912 73 E CB 0.248 29.947 29.700 -0.002 0.000 0.953 73 E HN 0.434 nan 8.360 nan 0.000 0.494 74 Q N 0.864 120.691 119.800 0.044 0.000 2.323 74 Q HA 0.029 4.322 4.340 -0.078 0.000 0.257 74 Q C 0.942 176.940 176.000 -0.003 0.000 1.022 74 Q CA 0.217 56.031 55.803 0.018 0.000 0.919 74 Q CB 0.959 29.711 28.738 0.023 0.000 1.220 74 Q HN 0.208 nan 8.270 nan 0.000 0.427 75 T N -1.730 112.813 114.554 -0.018 0.000 3.025 75 T HA -0.089 4.214 4.350 -0.078 0.000 0.270 75 T C 0.937 175.621 174.700 -0.026 0.000 1.126 75 T CA 0.955 63.042 62.100 -0.021 0.000 1.105 75 T CB 0.071 68.924 68.868 -0.024 0.000 0.884 75 T HN 0.387 nan 8.240 nan 0.000 0.522 76 T N 2.718 117.250 114.554 -0.037 0.000 3.042 76 T HA 0.487 4.790 4.350 -0.078 0.000 0.356 76 T C -0.553 174.131 174.700 -0.026 0.000 1.233 76 T CA -1.068 61.008 62.100 -0.041 0.000 1.038 76 T CB -0.147 68.680 68.868 -0.068 0.000 1.089 76 T HN 0.677 nan 8.240 nan 0.000 0.531 77 R N 1.403 121.901 120.500 -0.004 0.000 2.626 77 R HA 0.717 5.010 4.340 -0.078 0.000 0.274 77 R C -0.983 175.332 176.300 0.025 0.000 1.031 77 R CA -1.019 55.093 56.100 0.020 0.000 0.898 77 R CB 1.213 31.539 30.300 0.044 0.000 1.222 77 R HN 0.469 nan 8.270 nan 0.000 0.455 78 T N -1.362 113.215 114.554 0.040 0.000 2.930 78 T HA 0.716 5.019 4.350 -0.078 0.000 0.290 78 T C -0.488 174.258 174.700 0.076 0.000 1.052 78 T CA -0.773 61.354 62.100 0.046 0.000 1.017 78 T CB 1.953 70.844 68.868 0.039 0.000 1.137 78 T HN 0.323 nan 8.240 nan 0.000 0.511 79 V N 1.795 121.758 119.914 0.082 0.000 2.789 79 V HA 0.785 4.858 4.120 -0.078 0.000 0.311 79 V C -0.884 175.303 176.094 0.156 0.000 1.073 79 V CA -0.864 61.513 62.300 0.129 0.000 0.921 79 V CB 1.721 33.600 31.823 0.092 0.000 1.009 79 V HN 1.202 nan 8.190 nan 0.000 0.426 80 E N 3.663 124.006 120.200 0.238 0.000 2.388 80 E HA 0.480 4.783 4.350 -0.078 0.000 0.280 80 E C -1.202 175.564 176.600 0.276 0.000 1.019 80 E CA -1.127 55.415 56.400 0.237 0.000 0.806 80 E CB 2.107 31.896 29.700 0.148 0.000 1.246 80 E HN 0.662 nan 8.360 nan 0.000 0.443 81 L N -0.268 121.075 121.223 0.199 0.000 2.360 81 L HA 0.641 4.934 4.340 -0.078 0.000 0.276 81 L C 0.833 177.666 176.870 -0.061 0.000 1.121 81 L CA -0.349 54.405 54.840 -0.144 0.000 0.845 81 L CB 1.046 42.971 42.059 -0.222 0.000 1.143 81 L HN 0.831 nan 8.230 nan 0.000 0.452 82 A N 2.653 125.425 122.820 -0.079 0.000 2.121 82 A HA -0.052 4.221 4.320 -0.078 0.000 0.218 82 A C 0.657 178.240 177.584 -0.003 0.000 1.154 82 A CA 1.044 53.085 52.037 0.007 0.000 0.679 82 A CB -0.320 18.715 19.000 0.058 0.000 0.795 82 A HN 0.945 nan 8.150 nan 0.000 0.458 83 D N -1.912 118.457 120.400 -0.052 0.000 2.970 83 D HA 0.212 4.805 4.640 -0.078 0.000 0.230 83 D C -2.554 173.698 176.300 -0.081 0.000 1.276 83 D CA -1.151 52.830 54.000 -0.032 0.000 0.910 83 D CB 1.981 42.785 40.800 0.007 0.000 1.590 83 D HN -0.085 nan 8.370 nan 0.000 0.551 84 P HA -0.015 nan 4.420 nan 0.000 0.230 84 P C 0.495 177.734 177.300 -0.101 0.000 1.158 84 P CA 0.445 63.486 63.100 -0.099 0.000 0.769 84 P CB 0.544 32.208 31.700 -0.060 0.000 0.807 85 K N -0.795 119.569 120.400 -0.059 0.000 2.506 85 K HA 0.515 4.788 4.320 -0.078 0.000 0.204 85 K C 0.386 176.979 176.600 -0.012 0.000 1.045 85 K CA -0.224 56.049 56.287 -0.024 0.000 1.074 85 K CB 1.740 34.255 32.500 0.025 0.000 0.842 85 K HN 0.050 nan 8.250 nan 0.000 0.514 86 A N 0.500 123.261 122.820 -0.097 0.000 2.572 86 A HA 0.568 4.841 4.320 -0.078 0.000 0.295 86 A C -0.757 176.649 177.584 -0.296 0.000 1.072 86 A CA -0.665 51.272 52.037 -0.166 0.000 0.691 86 A CB 0.897 19.932 19.000 0.058 0.000 1.291 86 A HN 0.167 nan 8.150 nan 0.000 0.404 87 L N 2.091 123.033 121.223 -0.469 0.000 2.533 87 L HA 0.272 4.565 4.340 -0.078 0.000 0.239 87 L C 0.621 177.633 176.870 0.237 0.000 1.376 87 L CA 0.132 54.851 54.840 -0.201 0.000 1.240 87 L CB -0.137 41.758 42.059 -0.273 0.000 1.487 87 L HN 0.568 nan 8.230 nan 0.000 0.419 88 S N 0.547 116.272 115.700 0.042 0.000 2.498 88 S HA 0.559 4.982 4.470 -0.078 0.000 0.317 88 S C -0.841 173.702 174.600 -0.095 0.000 1.090 88 S CA -0.362 57.958 58.200 0.200 0.000 1.089 88 S CB 0.602 63.944 63.200 0.237 0.000 0.997 88 S HN 0.240 nan 8.310 nan 0.000 0.470 89 Y N 2.458 122.961 120.300 0.339 0.000 2.487 89 Y HA 0.597 5.100 4.550 -0.078 0.000 0.337 89 Y C 0.521 176.607 175.900 0.310 0.000 1.076 89 Y CA -0.938 57.333 58.100 0.284 0.000 1.115 89 Y CB 1.417 40.033 38.460 0.260 0.000 1.235 89 Y HN 0.604 nan 8.280 nan 0.000 0.468 90 R N 2.319 123.038 120.500 0.366 0.000 2.439 90 R HA 0.401 4.694 4.340 -0.078 0.000 0.310 90 R C -1.446 175.006 176.300 0.253 0.000 0.955 90 R CA -0.531 55.725 56.100 0.259 0.000 0.853 90 R CB 0.924 31.312 30.300 0.147 0.000 1.171 90 R HN 0.783 nan 8.270 nan 0.000 0.449 91 Q N 1.918 121.872 119.800 0.258 0.000 2.274 91 Q HA 0.366 4.659 4.340 -0.078 0.000 0.260 91 Q C -0.983 175.099 176.000 0.137 0.000 0.974 91 Q CA -0.709 55.221 55.803 0.213 0.000 0.876 91 Q CB 2.730 31.637 28.738 0.282 0.000 1.297 91 Q HN 0.508 nan 8.270 nan 0.000 0.446 92 T N 1.670 116.288 114.554 0.107 0.000 2.841 92 T HA 0.425 4.728 4.350 -0.078 0.000 0.285 92 T C -0.685 174.061 174.700 0.077 0.000 0.991 92 T CA -0.543 61.603 62.100 0.077 0.000 0.966 92 T CB 1.484 70.382 68.868 0.049 0.000 0.962 92 T HN 0.388 nan 8.240 nan 0.000 0.438 93 T N 3.062 117.675 114.554 0.099 0.000 2.807 93 T HA 0.621 4.924 4.350 -0.078 0.000 0.279 93 T C -0.302 174.422 174.700 0.041 0.000 0.993 93 T CA -0.578 61.585 62.100 0.105 0.000 0.970 93 T CB 1.361 70.355 68.868 0.210 0.000 0.950 93 T HN 0.517 nan 8.240 nan 0.000 0.441 94 T N 2.508 117.012 114.554 -0.084 0.000 2.812 94 T HA 0.330 4.633 4.350 -0.078 0.000 0.282 94 T C -0.330 174.077 174.700 -0.488 0.000 0.990 94 T CA -0.792 61.145 62.100 -0.272 0.000 0.960 94 T CB 1.492 70.246 68.868 -0.190 0.000 0.948 94 T HN 0.687 nan 8.240 nan 0.000 0.438 95 D N 2.272 122.036 120.400 -1.060 0.000 2.525 95 D HA -0.030 4.563 4.640 -0.078 0.000 0.235 95 D C 1.258 177.217 176.300 -0.569 0.000 1.137 95 D CA 0.225 53.442 54.000 -1.306 0.000 0.868 95 D CB 0.627 40.306 40.800 -1.869 0.000 1.180 95 D HN 0.279 nan 8.370 nan 0.000 0.465 96 N N 2.921 121.407 118.700 -0.356 0.000 2.348 96 N HA -0.165 4.528 4.740 -0.078 0.000 0.185 96 N C 0.983 176.398 175.510 -0.158 0.000 1.019 96 N CA 1.222 54.162 53.050 -0.184 0.000 0.880 96 N CB -0.147 38.285 38.487 -0.092 0.000 0.965 96 N HN 0.549 nan 8.380 nan 0.000 0.437 97 A N -0.346 122.363 122.820 -0.185 0.000 2.308 97 A HA 0.441 4.714 4.320 -0.078 0.000 0.217 97 A C 1.380 178.882 177.584 -0.136 0.000 1.216 97 A CA 0.525 52.496 52.037 -0.110 0.000 0.864 97 A CB -0.148 18.829 19.000 -0.039 0.000 0.902 97 A HN 0.237 nan 8.150 nan 0.000 0.499 98 G N 0.062 108.721 108.800 -0.235 0.000 2.198 98 G HA2 -0.312 3.601 3.960 -0.078 0.000 0.260 98 G HA3 -0.312 3.601 3.960 -0.078 0.000 0.260 98 G C 0.842 175.635 174.900 -0.178 0.000 1.025 98 G CA 0.725 45.695 45.100 -0.217 0.000 0.769 98 G HN 0.602 nan 8.290 nan 0.000 0.507 99 R N -1.824 118.558 120.500 -0.196 0.000 2.246 99 R HA 0.306 4.599 4.340 -0.078 0.000 0.199 99 R C 0.917 177.186 176.300 -0.050 0.000 0.984 99 R CA 1.101 57.176 56.100 -0.041 0.000 1.015 99 R CB 0.222 30.599 30.300 0.128 0.000 0.930 99 R HN 0.763 nan 8.270 nan 0.000 0.475 100 W N -0.356 120.817 121.300 -0.213 0.000 3.137 100 W HA 0.513 5.126 4.660 -0.079 0.000 0.324 100 W C -1.825 174.586 176.519 -0.180 0.000 1.253 100 W CA -1.501 55.655 57.345 -0.314 0.000 1.183 100 W CB 0.897 30.118 29.460 -0.399 0.000 1.424 100 W HN -0.349 nan 8.180 nan 0.000 0.566 101 R N 3.350 123.900 120.500 0.083 0.000 2.564 101 R HA 0.634 4.927 4.340 -0.078 0.000 0.284 101 R C -2.118 174.336 176.300 0.255 0.000 1.031 101 R CA -0.788 55.363 56.100 0.085 0.000 0.904 101 R CB 1.776 32.048 30.300 -0.048 0.000 1.199 101 R HN 0.860 nan 8.270 nan 0.000 0.443 102 L N 3.163 124.577 121.223 0.319 0.000 2.322 102 L HA 0.525 4.818 4.340 -0.078 0.000 0.281 102 L C -0.777 176.143 176.870 0.083 0.000 1.014 102 L CA -0.536 54.448 54.840 0.241 0.000 0.815 102 L CB 2.464 44.667 42.059 0.239 0.000 1.247 102 L HN 0.706 nan 8.230 nan 0.000 0.421 103 T N 3.493 118.044 114.554 -0.006 0.000 2.847 103 T HA 0.410 4.713 4.350 -0.078 0.000 0.291 103 T C -0.736 173.885 174.700 -0.131 0.000 0.998 103 T CA -0.705 61.371 62.100 -0.040 0.000 0.967 103 T CB 1.207 70.049 68.868 -0.043 0.000 0.954 103 T HN 0.383 nan 8.240 nan 0.000 0.441 104 K N 2.375 122.719 120.400 -0.094 0.000 2.376 104 K HA 0.615 4.888 4.320 -0.078 0.000 0.257 104 K C -0.702 175.788 176.600 -0.184 0.000 0.939 104 K CA -0.793 55.363 56.287 -0.218 0.000 0.809 104 K CB 1.884 34.280 32.500 -0.174 0.000 1.121 104 K HN 0.393 nan 8.250 nan 0.000 0.425 105 T N 2.594 116.970 114.554 -0.297 0.000 2.786 105 T HA 0.354 4.657 4.350 -0.078 0.000 0.283 105 T C -0.925 173.670 174.700 -0.175 0.000 0.992 105 T CA -0.617 61.430 62.100 -0.088 0.000 0.954 105 T CB 0.224 69.103 68.868 0.019 0.000 0.934 105 T HN 0.245 nan 8.240 nan 0.000 0.440 106 Y N 1.699 122.008 120.300 0.015 0.000 2.376 106 Y HA 0.753 5.256 4.550 -0.078 0.000 0.325 106 Y C 0.436 176.217 175.900 -0.198 0.000 1.199 106 Y CA -0.715 57.275 58.100 -0.183 0.000 1.206 106 Y CB 1.259 39.403 38.460 -0.526 0.000 1.229 106 Y HN 0.453 nan 8.280 nan 0.000 0.480 107 V N 0.622 120.396 119.914 -0.232 0.000 3.301 107 V HA 0.692 4.765 4.120 -0.078 0.000 0.291 107 V C -1.316 174.480 176.094 -0.497 0.000 1.549 107 V CA -0.334 61.629 62.300 -0.562 0.000 1.061 107 V CB 2.502 34.044 31.823 -0.469 0.000 1.154 107 V HN 0.962 nan 8.190 nan 0.000 0.466 108 T N -0.450 113.690 114.554 -0.691 0.000 2.906 108 T HA 0.547 4.850 4.350 -0.078 0.000 0.295 108 T C -1.166 173.487 174.700 -0.078 0.000 1.061 108 T CA -0.502 61.485 62.100 -0.189 0.000 1.000 108 T CB 1.662 70.554 68.868 0.039 0.000 1.103 108 T HN 0.783 nan 8.240 nan 0.000 0.486 109 D N 3.078 123.473 120.400 -0.008 0.000 2.344 109 D HA 0.239 4.832 4.640 -0.078 0.000 0.253 109 D C -1.027 175.297 176.300 0.040 0.000 1.255 109 D CA -2.287 51.721 54.000 0.014 0.000 0.894 109 D CB 1.493 42.300 40.800 0.012 0.000 1.067 109 D HN 0.285 nan 8.370 nan 0.000 0.492 110 P HA -0.122 nan 4.420 nan 0.000 0.223 110 P C 0.850 178.134 177.300 -0.026 0.000 1.144 110 P CA 0.780 63.888 63.100 0.014 0.000 0.783 110 P CB 0.435 32.131 31.700 -0.007 0.000 0.771 111 R N -0.460 120.034 120.500 -0.010 0.000 2.254 111 R HA 0.131 4.424 4.340 -0.078 0.000 0.195 111 R C 1.155 177.456 176.300 0.002 0.000 0.957 111 R CA 0.279 56.371 56.100 -0.012 0.000 1.024 111 R CB 0.148 30.444 30.300 -0.008 0.000 0.952 111 R HN 0.332 nan 8.270 nan 0.000 0.484 112 R N -1.424 119.084 120.500 0.013 0.000 2.710 112 R HA 0.331 4.624 4.340 -0.078 0.000 0.270 112 R C -1.036 175.293 176.300 0.048 0.000 1.021 112 R CA -0.741 55.380 56.100 0.035 0.000 0.889 112 R CB 1.068 31.391 30.300 0.039 0.000 1.243 112 R HN -0.259 nan 8.270 nan 0.000 0.464 113 S N 1.188 116.938 115.700 0.083 0.000 3.944 113 S HA 0.104 4.527 4.470 -0.078 0.000 0.215 113 S C -0.684 173.999 174.600 0.140 0.000 1.220 113 S CA 0.142 58.404 58.200 0.102 0.000 0.950 113 S CB -0.369 62.935 63.200 0.173 0.000 1.615 113 S HN 0.452 nan 8.310 nan 0.000 0.466 114 T N 1.852 116.476 114.554 0.115 0.000 2.921 114 T HA 0.369 4.672 4.350 -0.078 0.000 0.297 114 T C -0.294 174.479 174.700 0.121 0.000 1.013 114 T CA -0.486 61.701 62.100 0.144 0.000 0.990 114 T CB 1.575 70.492 68.868 0.082 0.000 1.023 114 T HN 0.121 nan 8.240 nan 0.000 0.447 115 V N 4.822 124.841 119.914 0.176 0.000 2.427 115 V HA 0.533 4.606 4.120 -0.078 0.000 0.286 115 V C -0.074 176.061 176.094 0.068 0.000 1.034 115 V CA -0.549 61.821 62.300 0.118 0.000 0.893 115 V CB 1.343 33.284 31.823 0.196 0.000 0.982 115 V HN 0.819 nan 8.190 nan 0.000 0.452 116 M N 5.444 125.047 119.600 0.006 0.000 2.456 116 M HA 0.586 5.019 4.480 -0.078 0.000 0.324 116 M C -1.128 175.171 176.300 -0.001 0.000 1.124 116 M CA -0.538 54.786 55.300 0.041 0.000 0.959 116 M CB 2.451 35.110 32.600 0.098 0.000 1.692 116 M HN 0.426 nan 8.290 nan 0.000 0.444 117 L N 1.491 122.664 121.223 -0.083 0.000 2.372 117 L HA 0.624 4.917 4.340 -0.078 0.000 0.274 117 L C -0.149 176.398 176.870 -0.539 0.000 0.988 117 L CA -0.442 54.195 54.840 -0.339 0.000 0.833 117 L CB 1.649 43.503 42.059 -0.342 0.000 1.236 117 L HN 0.867 nan 8.230 nan 0.000 0.410 118 G N 4.516 112.777 108.800 -0.898 0.000 2.327 118 G HA2 0.508 4.420 3.960 -0.078 0.000 0.302 118 G HA3 0.508 4.420 3.960 -0.078 0.000 0.302 118 G C -0.772 173.642 174.900 -0.809 0.000 1.113 118 G CA -0.195 44.087 45.100 -1.363 0.000 0.921 118 G HN 0.341 nan 8.290 nan 0.000 0.425 119 V N 2.077 121.485 119.914 -0.843 0.000 2.628 119 V HA 0.669 4.742 4.120 -0.078 0.000 0.306 119 V C 0.060 175.781 176.094 -0.622 0.000 1.045 119 V CA -0.647 61.161 62.300 -0.820 0.000 0.905 119 V CB 2.198 33.262 31.823 -1.265 0.000 0.997 119 V HN 0.702 nan 8.190 nan 0.000 0.436 120 T N 4.628 118.986 114.554 -0.326 0.000 2.881 120 T HA 0.501 4.804 4.350 -0.078 0.000 0.291 120 T C -1.037 173.690 174.700 0.046 0.000 0.990 120 T CA -0.152 61.884 62.100 -0.106 0.000 0.976 120 T CB 0.928 69.742 68.868 -0.090 0.000 0.970 120 T HN 0.505 nan 8.240 nan 0.000 0.438 121 F N 2.969 122.905 119.950 -0.023 0.000 2.444 121 F HA 0.533 5.013 4.527 -0.078 0.000 0.342 121 F C -0.097 175.709 175.800 0.010 0.000 1.121 121 F CA -0.676 57.316 58.000 -0.014 0.000 0.997 121 F CB 0.940 39.935 39.000 -0.008 0.000 1.130 121 F HN 0.480 nan 8.300 nan 0.000 0.454 122 E N 5.282 125.181 120.200 -0.503 0.000 2.199 122 E HA 0.394 4.697 4.350 -0.078 0.000 0.265 122 E C -1.277 174.984 176.600 -0.564 0.000 0.882 122 E CA -1.033 55.120 56.400 -0.412 0.000 0.759 122 E CB 2.731 32.320 29.700 -0.186 0.000 1.148 122 E HN 0.324 nan 8.360 nan 0.000 0.412 123 V N 4.673 124.333 119.914 -0.423 0.000 2.432 123 V HA 0.133 4.206 4.120 -0.078 0.000 0.275 123 V C 0.660 176.697 176.094 -0.094 0.000 1.043 123 V CA -0.227 61.923 62.300 -0.249 0.000 0.925 123 V CB 0.837 32.628 31.823 -0.053 0.000 0.985 123 V HN 0.706 nan 8.190 nan 0.000 0.466 124 L N 2.743 123.936 121.223 -0.051 0.000 2.769 124 L HA 0.371 4.664 4.340 -0.078 0.000 0.240 124 L C 0.264 177.154 176.870 0.033 0.000 1.163 124 L CA 0.102 54.928 54.840 -0.024 0.000 0.962 124 L CB 0.019 42.046 42.059 -0.054 0.000 1.258 124 L HN 0.569 nan 8.230 nan 0.000 0.513 125 D N -0.221 120.243 120.400 0.106 0.000 2.589 125 D HA 0.301 4.894 4.640 -0.078 0.000 0.268 125 D C 1.265 177.635 176.300 0.117 0.000 1.182 125 D CA 0.099 54.191 54.000 0.153 0.000 1.087 125 D CB 0.870 41.865 40.800 0.325 0.000 1.186 125 D HN -0.088 nan 8.370 nan 0.000 0.620 126 G N -1.447 107.415 108.800 0.103 0.000 2.679 126 G HA2 0.386 4.299 3.960 -0.078 0.000 0.212 126 G HA3 0.386 4.299 3.960 -0.078 0.000 0.212 126 G C 0.800 175.735 174.900 0.058 0.000 1.137 126 G CA 0.812 45.945 45.100 0.056 0.000 0.787 126 G HN 0.773 nan 8.290 nan 0.000 0.534 127 G N 0.025 108.900 108.800 0.124 0.000 2.548 127 G HA2 0.044 3.957 3.960 -0.078 0.000 0.208 127 G HA3 0.044 3.957 3.960 -0.078 0.000 0.208 127 G C -0.498 174.381 174.900 -0.034 0.000 1.308 127 G CA -0.165 45.020 45.100 0.141 0.000 0.924 127 G HN 0.838 nan 8.290 nan 0.000 0.540 128 D N -1.511 118.881 120.400 -0.013 0.000 3.293 128 D HA -0.098 4.495 4.640 -0.078 0.000 0.252 128 D C -0.701 175.418 176.300 -0.301 0.000 1.073 128 D CA 1.833 55.757 54.000 -0.128 0.000 0.957 128 D CB -1.325 39.375 40.800 -0.168 0.000 0.987 128 D HN 0.712 nan 8.370 nan 0.000 0.422 129 Y N -0.447 119.900 120.300 0.077 0.000 2.562 129 Y HA 0.451 4.954 4.550 -0.078 0.000 0.345 129 Y C 0.393 176.311 175.900 0.029 0.000 1.045 129 Y CA -0.843 57.311 58.100 0.090 0.000 1.028 129 Y CB 1.474 40.041 38.460 0.178 0.000 1.297 129 Y HN -0.129 nan 8.280 nan 0.000 0.463 130 Q N 1.668 121.563 119.800 0.159 0.000 2.309 130 Q HA 0.637 4.930 4.340 -0.078 0.000 0.264 130 Q C -1.726 174.096 176.000 -0.297 0.000 1.008 130 Q CA -0.745 54.995 55.803 -0.104 0.000 0.853 130 Q CB 2.519 31.245 28.738 -0.020 0.000 1.314 130 Q HN 0.485 nan 8.270 nan 0.000 0.448 131 L N 2.717 123.563 121.223 -0.629 0.000 2.333 131 L HA 0.686 4.979 4.340 -0.078 0.000 0.280 131 L C -1.840 174.650 176.870 -0.634 0.000 1.004 131 L CA -0.256 54.212 54.840 -0.619 0.000 0.820 131 L CB 0.708 42.295 42.059 -0.787 0.000 1.247 131 L HN 0.522 nan 8.230 nan 0.000 0.416 132 F N 4.061 124.013 119.950 0.004 0.000 2.540 132 F HA 0.621 5.101 4.527 -0.078 0.000 0.317 132 F C -0.134 175.703 175.800 0.061 0.000 1.104 132 F CA -1.013 57.018 58.000 0.052 0.000 0.913 132 F CB 1.975 40.980 39.000 0.009 0.000 1.170 132 F HN 0.077 nan 8.300 nan 0.000 0.450 133 V N 4.170 124.150 119.914 0.111 0.000 2.509 133 V HA 0.379 4.452 4.120 -0.078 0.000 0.284 133 V C -0.154 175.842 176.094 -0.164 0.000 1.047 133 V CA -0.647 61.473 62.300 -0.301 0.000 0.952 133 V CB 1.477 33.182 31.823 -0.197 0.000 0.988 133 V HN 0.542 nan 8.190 nan 0.000 0.469 134 L N 4.137 125.223 121.223 -0.228 0.000 2.316 134 L HA 0.505 4.798 4.340 -0.078 0.000 0.280 134 L C -0.051 176.742 176.870 -0.127 0.000 1.006 134 L CA 0.016 54.787 54.840 -0.116 0.000 0.836 134 L CB 1.767 43.793 42.059 -0.054 0.000 1.221 134 L HN 0.670 nan 8.230 nan 0.000 0.418 135 S N 1.999 117.635 115.700 -0.106 0.000 2.640 135 S HA 0.295 4.718 4.470 -0.078 0.000 0.320 135 S C -0.973 173.590 174.600 -0.062 0.000 1.097 135 S CA -0.607 57.544 58.200 -0.080 0.000 1.092 135 S CB 0.844 63.991 63.200 -0.088 0.000 0.988 135 S HN 0.557 nan 8.310 nan 0.000 0.470 136 D N 6.127 126.505 120.400 -0.037 0.000 2.454 136 D HA 0.464 5.057 4.640 -0.078 0.000 0.225 136 D C -2.249 174.040 176.300 -0.018 0.000 1.081 136 D CA -1.843 52.137 54.000 -0.033 0.000 0.864 136 D CB 1.572 42.355 40.800 -0.027 0.000 1.040 136 D HN 0.289 nan 8.370 nan 0.000 0.517 137 P HA 0.324 nan 4.420 nan 0.000 0.279 137 P C -0.648 176.644 177.300 -0.013 0.000 1.276 137 P CA -0.676 62.428 63.100 0.007 0.000 0.801 137 P CB 1.085 32.781 31.700 -0.006 0.000 1.127 138 S N -0.483 115.236 115.700 0.032 0.000 2.630 138 S HA 0.233 4.656 4.470 -0.078 0.000 0.173 138 S C 0.069 174.748 174.600 0.132 0.000 1.048 138 S CA -0.444 57.748 58.200 -0.013 0.000 1.172 138 S CB -0.657 62.407 63.200 -0.226 0.000 1.638 138 S HN 0.267 nan 8.310 nan 0.000 0.429 139 L N 1.907 123.196 121.223 0.110 0.000 2.559 139 L HA 0.147 4.440 4.340 -0.078 0.000 0.282 139 L C 1.250 178.226 176.870 0.177 0.000 1.232 139 L CA 0.362 55.294 54.840 0.155 0.000 0.885 139 L CB -0.095 42.029 42.059 0.107 0.000 1.131 139 L HN 0.670 nan 8.230 nan 0.000 0.498 140 A N 2.843 125.795 122.820 0.219 0.000 2.872 140 A HA -0.085 4.188 4.320 -0.078 0.000 0.273 140 A C 1.270 179.033 177.584 0.299 0.000 1.442 140 A CA 0.986 53.163 52.037 0.235 0.000 0.801 140 A CB -2.106 17.024 19.000 0.218 0.000 1.031 140 A HN 1.902 nan 8.150 nan 0.000 0.582 141 G N -2.606 106.385 108.800 0.317 0.000 2.143 141 G HA2 0.178 4.091 3.960 -0.078 0.000 0.248 141 G HA3 0.178 4.091 3.960 -0.078 0.000 0.248 141 G C 0.736 175.905 174.900 0.449 0.000 0.991 141 G CA 1.458 46.833 45.100 0.459 0.000 0.689 141 G HN 2.977 nan 8.290 nan 0.000 0.522 142 T N -3.209 111.472 114.554 0.211 0.000 2.952 142 T HA 0.693 4.996 4.350 -0.078 0.000 0.305 142 T C 1.142 175.789 174.700 -0.088 0.000 1.064 142 T CA 0.573 62.676 62.100 0.006 0.000 1.008 142 T CB 1.635 70.442 68.868 -0.103 0.000 1.078 142 T HN 0.912 nan 8.240 nan 0.000 0.459 143 S N 1.760 117.330 115.700 -0.215 0.000 2.428 143 S HA 0.246 4.669 4.470 -0.078 0.000 0.230 143 S C 1.241 175.779 174.600 -0.104 0.000 1.014 143 S CA 0.200 58.267 58.200 -0.221 0.000 0.957 143 S CB -0.505 62.516 63.200 -0.299 0.000 0.784 143 S HN 1.181 nan 8.310 nan 0.000 0.499 144 G N -0.625 108.129 108.800 -0.077 0.000 2.522 144 G HA2 0.484 4.397 3.960 -0.078 0.000 0.304 144 G HA3 0.484 4.397 3.960 -0.078 0.000 0.304 144 G C 0.829 175.721 174.900 -0.013 0.000 1.210 144 G CA -0.354 44.727 45.100 -0.033 0.000 0.960 144 G HN 1.162 nan 8.290 nan 0.000 0.497 145 G N -0.745 108.061 108.800 0.009 0.000 2.148 145 G HA2 -0.204 3.709 3.960 -0.078 0.000 0.254 145 G HA3 -0.204 3.709 3.960 -0.078 0.000 0.254 145 G C -0.079 174.837 174.900 0.027 0.000 0.981 145 G CA 0.463 45.575 45.100 0.020 0.000 0.670 145 G HN 0.718 nan 8.290 nan 0.000 0.528 146 D N 0.323 120.737 120.400 0.022 0.000 2.193 146 D HA 0.654 5.247 4.640 -0.078 0.000 0.249 146 D C 0.094 176.396 176.300 0.003 0.000 1.034 146 D CA 0.242 54.248 54.000 0.010 0.000 0.902 146 D CB 1.468 42.264 40.800 -0.006 0.000 1.182 146 D HN 0.026 nan 8.370 nan 0.000 0.436 147 T N 0.444 114.990 114.554 -0.014 0.000 2.847 147 T HA 0.613 4.916 4.350 -0.078 0.000 0.291 147 T C 0.138 174.802 174.700 -0.060 0.000 0.998 147 T CA -0.879 61.202 62.100 -0.031 0.000 0.967 147 T CB 1.479 70.339 68.868 -0.013 0.000 0.954 147 T HN 0.350 nan 8.240 nan 0.000 0.441 148 G N 1.997 110.739 108.800 -0.097 0.000 2.356 148 G HA2 0.631 4.544 3.960 -0.078 0.000 0.322 148 G HA3 0.631 4.544 3.960 -0.078 0.000 0.322 148 G C -0.321 174.516 174.900 -0.105 0.000 1.125 148 G CA -0.528 44.505 45.100 -0.111 0.000 0.885 148 G HN 0.831 nan 8.290 nan 0.000 0.467 149 S N -0.302 115.342 115.700 -0.094 0.000 2.705 149 S HA 0.787 5.210 4.470 -0.078 0.000 0.280 149 S C -1.166 173.384 174.600 -0.082 0.000 1.174 149 S CA -0.790 57.362 58.200 -0.080 0.000 0.823 149 S CB 1.977 65.143 63.200 -0.056 0.000 1.162 149 S HN 0.699 nan 8.310 nan 0.000 0.487 150 V N 0.695 120.569 119.914 -0.066 0.000 2.735 150 V HA 0.881 4.954 4.120 -0.078 0.000 0.310 150 V C -0.751 175.324 176.094 -0.032 0.000 1.061 150 V CA -0.301 61.964 62.300 -0.058 0.000 0.913 150 V CB 1.883 33.670 31.823 -0.061 0.000 1.005 150 V HN 1.136 nan 8.190 nan 0.000 0.428 151 T N 1.860 116.405 114.554 -0.016 0.000 3.291 151 T HA 0.303 4.606 4.350 -0.078 0.000 0.344 151 T C -0.474 174.234 174.700 0.013 0.000 1.293 151 T CA -0.483 61.615 62.100 -0.004 0.000 1.108 151 T CB 1.166 70.029 68.868 -0.008 0.000 1.231 151 T HN 0.905 nan 8.240 nan 0.000 0.474 152 D N 1.821 122.230 120.400 0.015 0.000 2.701 152 D HA -0.147 4.446 4.640 -0.078 0.000 0.235 152 D C 1.211 177.536 176.300 0.042 0.000 1.155 152 D CA 2.673 56.687 54.000 0.022 0.000 0.649 152 D CB -1.112 39.698 40.800 0.017 0.000 1.050 152 D HN 1.458 nan 8.370 nan 0.000 0.425 153 G N -2.092 106.743 108.800 0.059 0.000 2.153 153 G HA2 0.054 3.967 3.960 -0.078 0.000 0.252 153 G HA3 0.054 3.967 3.960 -0.078 0.000 0.252 153 G C 0.329 175.355 174.900 0.211 0.000 0.994 153 G CA 0.609 45.780 45.100 0.117 0.000 0.698 153 G HN 1.371 nan 8.290 nan 0.000 0.521 154 A N -0.646 122.255 122.820 0.135 0.000 2.413 154 A HA 0.865 5.138 4.320 -0.078 0.000 0.307 154 A C -0.162 177.431 177.584 0.014 0.000 1.087 154 A CA -0.753 51.378 52.037 0.158 0.000 0.750 154 A CB 1.282 20.342 19.000 0.100 0.000 1.296 154 A HN 0.722 nan 8.150 nan 0.000 0.423 155 L N 1.971 123.164 121.223 -0.050 0.000 2.265 155 L HA 0.447 4.740 4.340 -0.078 0.000 0.288 155 L C -0.737 176.071 176.870 -0.104 0.000 1.058 155 L CA -0.102 54.648 54.840 -0.149 0.000 0.809 155 L CB 0.711 42.609 42.059 -0.268 0.000 1.179 155 L HN 0.558 nan 8.230 nan 0.000 0.429 156 L N 3.322 124.486 121.223 -0.099 0.000 2.330 156 L HA 0.950 5.243 4.340 -0.078 0.000 0.271 156 L C -0.158 176.653 176.870 -0.098 0.000 1.013 156 L CA -0.623 54.162 54.840 -0.092 0.000 0.816 156 L CB 1.942 43.962 42.059 -0.065 0.000 1.287 156 L HN 0.696 nan 8.230 nan 0.000 0.435 157 A N 1.214 123.975 122.820 -0.098 0.000 2.604 157 A HA 0.858 5.131 4.320 -0.078 0.000 0.295 157 A C -0.917 176.631 177.584 -0.059 0.000 1.067 157 A CA -0.290 51.697 52.037 -0.082 0.000 0.683 157 A CB 2.073 21.016 19.000 -0.095 0.000 1.281 157 A HN 0.730 nan 8.150 nan 0.000 0.407 158 S N 0.257 115.941 115.700 -0.028 0.000 2.615 158 S HA 0.789 5.212 4.470 -0.078 0.000 0.269 158 S C -2.086 172.529 174.600 0.025 0.000 1.161 158 S CA -0.382 57.821 58.200 0.004 0.000 0.817 158 S CB 2.264 65.469 63.200 0.009 0.000 1.131 158 S HN 1.114 nan 8.310 nan 0.000 0.467 159 D N 1.155 121.586 120.400 0.052 0.000 2.312 159 D HA 0.226 4.819 4.640 -0.078 0.000 0.229 159 D C -0.667 175.681 176.300 0.079 0.000 1.337 159 D CA -0.345 53.693 54.000 0.062 0.000 0.964 159 D CB 0.807 41.650 40.800 0.073 0.000 1.456 159 D HN 0.399 nan 8.370 nan 0.000 0.547 160 L N 2.436 123.700 121.223 0.067 0.000 2.791 160 L HA 0.360 4.652 4.340 -0.078 0.000 0.239 160 L C 2.151 179.064 176.870 0.071 0.000 1.203 160 L CA 0.018 54.901 54.840 0.072 0.000 1.002 160 L CB -0.858 41.237 42.059 0.060 0.000 1.295 160 L HN 0.413 nan 8.230 nan 0.000 0.504 161 A N -0.645 122.220 122.820 0.075 0.000 2.070 161 A HA -0.151 4.122 4.320 -0.078 0.000 0.220 161 A C 0.959 178.596 177.584 0.088 0.000 1.159 161 A CA 1.072 53.154 52.037 0.075 0.000 0.656 161 A CB -0.227 18.817 19.000 0.073 0.000 0.800 161 A HN 0.376 nan 8.150 nan 0.000 0.453 162 D N -0.813 119.648 120.400 0.102 0.000 2.441 162 D HA 0.557 5.150 4.640 -0.078 0.000 0.231 162 D C 1.017 177.363 176.300 0.078 0.000 1.073 162 D CA 0.377 54.437 54.000 0.100 0.000 0.850 162 D CB 1.464 42.340 40.800 0.128 0.000 1.062 162 D HN 0.067 nan 8.370 nan 0.000 0.524 163 A N 3.549 126.408 122.820 0.066 0.000 1.978 163 A HA -0.089 4.184 4.320 -0.078 0.000 0.220 163 A C 1.911 179.529 177.584 0.056 0.000 1.170 163 A CA 1.845 53.917 52.037 0.058 0.000 0.636 163 A CB -0.178 18.853 19.000 0.051 0.000 0.810 163 A HN 0.596 nan 8.150 nan 0.000 0.448 164 A N -0.917 121.935 122.820 0.054 0.000 2.169 164 A HA 0.258 4.531 4.320 -0.078 0.000 0.212 164 A C 1.245 178.852 177.584 0.038 0.000 1.153 164 A CA 1.522 53.591 52.037 0.053 0.000 0.756 164 A CB -0.374 18.659 19.000 0.054 0.000 0.813 164 A HN 0.822 nan 8.150 nan 0.000 0.471 165 T N -1.188 113.389 114.554 0.039 0.000 3.583 165 T HA 0.413 4.716 4.350 -0.078 0.000 0.266 165 T C -3.181 171.560 174.700 0.068 0.000 1.296 165 T CA -1.461 60.650 62.100 0.018 0.000 1.668 165 T CB 1.196 70.067 68.868 0.006 0.000 0.832 165 T HN 0.126 nan 8.240 nan 0.000 0.649 166 P HA 0.534 nan 4.420 nan 0.000 0.280 166 P C -0.729 176.674 177.300 0.173 0.000 1.244 166 P CA -0.436 62.731 63.100 0.111 0.000 0.784 166 P CB 1.796 33.553 31.700 0.096 0.000 0.913 167 V N 2.489 122.515 119.914 0.187 0.000 2.686 167 V HA 0.743 4.816 4.120 -0.078 0.000 0.306 167 V C -0.117 176.069 176.094 0.153 0.000 1.065 167 V CA -0.648 61.812 62.300 0.267 0.000 0.894 167 V CB 1.755 33.770 31.823 0.320 0.000 1.004 167 V HN 0.856 nan 8.190 nan 0.000 0.424 168 A N 3.074 125.957 122.820 0.104 0.000 2.539 168 A HA 1.014 5.287 4.320 -0.078 0.000 0.296 168 A C -0.316 177.165 177.584 -0.172 0.000 1.073 168 A CA -0.219 51.807 52.037 -0.017 0.000 0.700 168 A CB 2.297 21.296 19.000 -0.001 0.000 1.296 168 A HN 1.012 nan 8.150 nan 0.000 0.405 169 T N -1.773 112.629 114.554 -0.253 0.000 2.864 169 T HA 0.906 5.209 4.350 -0.078 0.000 0.289 169 T C -0.490 174.045 174.700 -0.276 0.000 1.082 169 T CA -0.273 61.555 62.100 -0.454 0.000 1.009 169 T CB 1.862 70.342 68.868 -0.647 0.000 1.234 169 T HN 2.254 nan 8.240 nan 0.000 0.526 170 A N 1.318 123.972 122.820 -0.277 0.000 2.456 170 A HA 0.668 4.941 4.320 -0.078 0.000 0.288 170 A C -1.184 176.342 177.584 -0.097 0.000 1.042 170 A CA -0.727 51.226 52.037 -0.140 0.000 0.738 170 A CB 1.094 20.043 19.000 -0.086 0.000 1.266 170 A HN 0.998 nan 8.150 nan 0.000 0.407 171 L N 4.006 125.207 121.223 -0.036 0.000 2.265 171 L HA 0.692 4.985 4.340 -0.078 0.000 0.289 171 L C -1.239 175.772 176.870 0.236 0.000 1.033 171 L CA -0.604 54.273 54.840 0.063 0.000 0.814 171 L CB 1.161 43.240 42.059 0.033 0.000 1.203 171 L HN 0.497 nan 8.230 nan 0.000 0.423 172 V N 3.189 123.222 119.914 0.199 0.000 2.604 172 V HA 0.384 4.457 4.120 -0.078 0.000 0.305 172 V C -0.030 176.058 176.094 -0.009 0.000 1.043 172 V CA -0.609 61.790 62.300 0.165 0.000 0.888 172 V CB 1.889 33.752 31.823 0.067 0.000 0.995 172 V HN 0.769 nan 8.190 nan 0.000 0.429 173 S N 2.013 117.481 115.700 -0.387 0.000 2.442 173 S HA 0.246 4.669 4.470 -0.078 0.000 0.297 173 S C 1.388 175.836 174.600 -0.253 0.000 1.131 173 S CA 0.054 57.968 58.200 -0.478 0.000 1.092 173 S CB 1.401 63.876 63.200 -1.209 0.000 0.998 173 S HN 1.123 nan 8.310 nan 0.000 0.478 174 S N 3.462 119.114 115.700 -0.080 0.000 2.465 174 S HA -0.113 4.310 4.470 -0.078 0.000 0.241 174 S C 1.175 175.734 174.600 -0.069 0.000 1.000 174 S CA 1.211 59.388 58.200 -0.038 0.000 0.964 174 S CB -0.753 62.460 63.200 0.022 0.000 0.763 174 S HN 1.303 nan 8.310 nan 0.000 0.512 175 V N -2.925 116.907 119.914 -0.136 0.000 3.159 175 V HA 0.700 4.773 4.120 -0.078 0.000 0.333 175 V C 0.950 176.903 176.094 -0.234 0.000 1.424 175 V CA -0.399 61.807 62.300 -0.157 0.000 1.125 175 V CB -0.902 30.822 31.823 -0.164 0.000 1.075 175 V HN 0.803 nan 8.190 nan 0.000 0.482 176 G N 0.916 109.524 108.800 -0.320 0.000 2.804 176 G HA2 -0.183 3.730 3.960 -0.078 0.000 0.230 176 G HA3 -0.183 3.730 3.960 -0.078 0.000 0.230 176 G C -0.781 173.812 174.900 -0.510 0.000 1.386 176 G CA 0.122 45.014 45.100 -0.346 0.000 0.875 176 G HN 0.534 nan 8.290 nan 0.000 0.557 177 F N -0.024 119.886 119.950 -0.067 0.000 2.556 177 F HA 0.664 5.144 4.527 -0.078 0.000 0.327 177 F C 1.504 177.253 175.800 -0.084 0.000 1.059 177 F CA 0.110 58.059 58.000 -0.086 0.000 0.953 177 F CB 1.821 40.787 39.000 -0.056 0.000 1.227 177 F HN 0.770 nan 8.300 nan 0.000 0.478 178 G N 0.378 109.245 108.800 0.112 0.000 2.558 178 G HA2 0.424 4.337 3.960 -0.078 0.000 0.218 178 G HA3 0.424 4.337 3.960 -0.078 0.000 0.218 178 G C -0.182 174.754 174.900 0.060 0.000 1.567 178 G CA 0.307 45.425 45.100 0.030 0.000 0.950 178 G HN 0.788 nan 8.290 nan 0.000 0.517 179 A N -0.370 122.487 122.820 0.061 0.000 2.327 179 A HA 0.611 4.884 4.320 -0.078 0.000 0.283 179 A C -0.178 177.432 177.584 0.043 0.000 1.127 179 A CA -0.044 52.033 52.037 0.068 0.000 0.810 179 A CB 0.852 19.922 19.000 0.117 0.000 1.066 179 A HN 1.464 nan 8.150 nan 0.000 0.492 180 V N -1.435 118.470 119.914 -0.016 0.000 2.876 180 V HA 0.997 5.070 4.120 -0.078 0.000 0.312 180 V C -0.255 175.782 176.094 -0.095 0.000 1.085 180 V CA -0.203 62.033 62.300 -0.107 0.000 0.945 180 V CB 1.095 32.827 31.823 -0.152 0.000 1.017 180 V HN 2.144 nan 8.190 nan 0.000 0.428 181 A N 3.001 125.744 122.820 -0.128 0.000 2.594 181 A HA 0.863 5.136 4.320 -0.078 0.000 0.296 181 A C -1.262 176.238 177.584 -0.141 0.000 1.061 181 A CA -0.732 51.235 52.037 -0.116 0.000 0.689 181 A CB 1.682 20.626 19.000 -0.094 0.000 1.280 181 A HN 1.001 nan 8.150 nan 0.000 0.406 182 N N -0.710 117.902 118.700 -0.147 0.000 2.240 182 N HA 0.811 5.504 4.740 -0.078 0.000 0.302 182 N C -0.011 175.371 175.510 -0.215 0.000 1.106 182 N CA 0.256 53.199 53.050 -0.179 0.000 0.778 182 N CB 2.304 40.679 38.487 -0.186 0.000 1.431 182 N HN 1.158 nan 8.380 nan 0.000 0.479 183 G N -0.192 108.453 108.800 -0.259 0.000 2.619 183 G HA2 0.389 4.302 3.960 -0.078 0.000 0.305 183 G HA3 0.389 4.302 3.960 -0.078 0.000 0.305 183 G C -2.074 172.601 174.900 -0.375 0.000 1.330 183 G CA -0.451 44.462 45.100 -0.313 0.000 0.789 183 G HN 0.336 nan 8.290 nan 0.000 0.487 184 Y N 0.319 120.595 120.300 -0.040 0.000 2.335 184 Y HA 0.449 4.952 4.550 -0.078 0.000 0.339 184 Y C 0.894 176.775 175.900 -0.032 0.000 0.987 184 Y CA -0.661 57.417 58.100 -0.036 0.000 1.140 184 Y CB 1.718 40.157 38.460 -0.034 0.000 1.173 184 Y HN 0.250 nan 8.280 nan 0.000 0.486 185 V N 3.679 123.662 119.914 0.115 0.000 2.625 185 V HA 0.129 4.202 4.120 -0.078 0.000 0.305 185 V C 1.162 177.294 176.094 0.063 0.000 1.055 185 V CA 1.786 64.124 62.300 0.064 0.000 1.209 185 V CB -0.041 31.804 31.823 0.035 0.000 0.877 185 V HN 1.147 nan 8.190 nan 0.000 0.489 186 G N 3.638 112.469 108.800 0.052 0.000 2.175 186 G HA2 -0.247 3.666 3.960 -0.078 0.000 0.244 186 G HA3 -0.247 3.666 3.960 -0.078 0.000 0.244 186 G C 0.452 175.365 174.900 0.022 0.000 0.982 186 G CA 0.516 45.638 45.100 0.037 0.000 0.641 186 G HN 0.814 nan 8.290 nan 0.000 0.527 187 T N -1.239 113.334 114.554 0.031 0.000 3.636 187 T HA 0.247 4.549 4.350 -0.078 0.000 0.279 187 T C 1.785 176.488 174.700 0.005 0.000 0.977 187 T CA 1.342 63.452 62.100 0.018 0.000 1.139 187 T CB -0.113 68.778 68.868 0.038 0.000 1.147 187 T HN 1.080 nan 8.240 nan 0.000 0.442 188 S N 2.100 117.818 115.700 0.030 0.000 2.749 188 S HA 0.297 4.720 4.470 -0.078 0.000 0.246 188 S C -0.173 174.398 174.600 -0.047 0.000 1.023 188 S CA -0.529 57.664 58.200 -0.012 0.000 1.012 188 S CB -0.567 62.639 63.200 0.011 0.000 0.942 188 S HN 0.606 nan 8.310 nan 0.000 0.531 189 D N 0.775 121.158 120.400 -0.029 0.000 2.357 189 D HA 0.492 5.085 4.640 -0.078 0.000 0.242 189 D C 1.589 177.860 176.300 -0.049 0.000 1.153 189 D CA -0.071 53.907 54.000 -0.036 0.000 0.918 189 D CB 0.244 41.049 40.800 0.008 0.000 1.181 189 D HN 0.004 nan 8.370 nan 0.000 0.435 190 G N 0.142 108.914 108.800 -0.048 0.000 2.513 190 G HA2 -0.345 3.568 3.960 -0.078 0.000 0.219 190 G HA3 -0.345 3.568 3.960 -0.078 0.000 0.219 190 G C 1.040 175.915 174.900 -0.043 0.000 1.160 190 G CA 0.657 45.715 45.100 -0.070 0.000 0.767 190 G HN 0.803 nan 8.290 nan 0.000 0.571 191 W N 1.294 122.523 121.300 -0.118 0.000 2.378 191 W HA -0.149 4.464 4.660 -0.079 0.000 0.313 191 W C 2.422 178.890 176.519 -0.086 0.000 1.197 191 W CA 1.806 59.092 57.345 -0.099 0.000 1.304 191 W CB -0.512 28.912 29.460 -0.059 0.000 1.148 191 W HN 0.245 nan 8.180 nan 0.000 0.494 192 T N 0.888 115.291 114.554 -0.251 0.000 2.737 192 T HA -0.290 4.012 4.350 -0.078 0.000 0.269 192 T C 1.189 175.671 174.700 -0.364 0.000 1.040 192 T CA 2.136 64.035 62.100 -0.335 0.000 1.142 192 T CB -0.649 68.147 68.868 -0.121 0.000 0.861 192 T HN 0.185 nan 8.240 nan 0.000 0.456 193 D N 0.902 121.135 120.400 -0.279 0.000 2.075 193 D HA -0.014 4.579 4.640 -0.078 0.000 0.196 193 D C 2.156 178.254 176.300 -0.337 0.000 0.985 193 D CA 0.945 54.792 54.000 -0.254 0.000 0.834 193 D CB -0.459 40.221 40.800 -0.200 0.000 0.987 193 D HN 0.283 nan 8.370 nan 0.000 0.452 194 L N 0.349 121.330 121.223 -0.403 0.000 2.042 194 L HA -0.185 4.108 4.340 -0.078 0.000 0.210 194 L C 2.636 179.194 176.870 -0.520 0.000 1.076 194 L CA 1.290 55.871 54.840 -0.432 0.000 0.749 194 L CB -0.506 41.320 42.059 -0.389 0.000 0.893 194 L HN 0.052 nan 8.230 nan 0.000 0.432 195 A N -0.062 122.217 122.820 -0.901 0.000 1.940 195 A HA -0.206 4.067 4.320 -0.078 0.000 0.219 195 A C 2.553 179.877 177.584 -0.435 0.000 1.176 195 A CA 1.744 53.243 52.037 -0.897 0.000 0.631 195 A CB -0.676 17.562 19.000 -1.269 0.000 0.814 195 A HN 0.429 nan 8.150 nan 0.000 0.446 196 A N 0.527 123.128 122.820 -0.365 0.000 1.873 196 A HA -0.138 4.135 4.320 -0.078 0.000 0.218 196 A C 1.360 178.848 177.584 -0.161 0.000 1.193 196 A CA 2.127 54.031 52.037 -0.221 0.000 0.629 196 A CB -0.351 18.535 19.000 -0.190 0.000 0.826 196 A HN 0.692 nan 8.150 nan 0.000 0.447 197 D N -4.657 115.646 120.400 -0.161 0.000 2.740 197 D HA 0.318 4.911 4.640 -0.078 0.000 0.305 197 D C 0.686 176.931 176.300 -0.092 0.000 1.583 197 D CA 0.558 54.496 54.000 -0.105 0.000 0.790 197 D CB -0.987 39.764 40.800 -0.082 0.000 1.187 197 D HN 0.976 nan 8.370 nan 0.000 0.447 198 G N 1.112 109.839 108.800 -0.122 0.000 2.258 198 G HA2 -0.359 3.554 3.960 -0.078 0.000 0.274 198 G HA3 -0.359 3.554 3.960 -0.078 0.000 0.274 198 G C 0.189 175.041 174.900 -0.081 0.000 1.021 198 G CA 0.725 45.777 45.100 -0.081 0.000 0.798 198 G HN 0.717 nan 8.290 nan 0.000 0.507 199 R N -1.338 119.080 120.500 -0.137 0.000 2.771 199 R HA 0.622 4.915 4.340 -0.078 0.000 0.274 199 R C -0.986 175.202 176.300 -0.187 0.000 0.987 199 R CA -1.219 54.814 56.100 -0.112 0.000 0.908 199 R CB 0.819 31.085 30.300 -0.056 0.000 1.213 199 R HN 0.194 nan 8.270 nan 0.000 0.468 200 L N 3.994 125.121 121.223 -0.161 0.000 2.358 200 L HA 0.270 4.563 4.340 -0.078 0.000 0.274 200 L C -0.361 176.455 176.870 -0.090 0.000 1.136 200 L CA 0.438 55.176 54.840 -0.170 0.000 0.970 200 L CB 0.657 42.644 42.059 -0.120 0.000 1.314 200 L HN 0.733 nan 8.230 nan 0.000 0.427 201 D N 0.889 121.229 120.400 -0.100 0.000 2.183 201 D HA -0.102 4.491 4.640 -0.078 0.000 0.203 201 D C 0.592 176.854 176.300 -0.062 0.000 0.969 201 D CA 0.768 54.725 54.000 -0.071 0.000 0.842 201 D CB 0.022 40.777 40.800 -0.075 0.000 0.957 201 D HN 0.456 nan 8.370 nan 0.000 0.484 202 N N -0.011 118.643 118.700 -0.076 0.000 2.442 202 N HA 0.273 4.966 4.740 -0.078 0.000 0.265 202 N C -0.038 175.435 175.510 -0.062 0.000 1.138 202 N CA -0.114 52.895 53.050 -0.067 0.000 0.956 202 N CB 1.075 39.516 38.487 -0.078 0.000 1.067 202 N HN 0.021 nan 8.380 nan 0.000 0.474 203 A N 2.564 125.354 122.820 -0.050 0.000 2.382 203 A HA 0.164 4.437 4.320 -0.078 0.000 0.228 203 A C 0.751 178.304 177.584 -0.052 0.000 1.217 203 A CA -0.325 51.685 52.037 -0.044 0.000 0.923 203 A CB -0.245 18.737 19.000 -0.030 0.000 0.979 203 A HN 0.599 nan 8.150 nan 0.000 0.515 204 S N 0.711 116.376 115.700 -0.058 0.000 2.784 204 S HA 0.194 4.617 4.470 -0.078 0.000 0.322 204 S C 1.145 175.697 174.600 -0.081 0.000 1.234 204 S CA 0.382 58.544 58.200 -0.065 0.000 1.064 204 S CB 0.426 63.581 63.200 -0.074 0.000 0.787 204 S HN 0.858 nan 8.310 nan 0.000 0.506 205 A N 4.362 127.140 122.820 -0.070 0.000 2.307 205 A HA 0.384 4.657 4.320 -0.078 0.000 0.218 205 A C 0.909 178.441 177.584 -0.087 0.000 1.228 205 A CA 0.250 52.242 52.037 -0.077 0.000 0.857 205 A CB 0.032 18.998 19.000 -0.057 0.000 0.897 205 A HN 0.748 nan 8.150 nan 0.000 0.495 206 T N -1.118 113.379 114.554 -0.095 0.000 2.932 206 T HA 0.628 4.931 4.350 -0.078 0.000 0.318 206 T C -1.455 173.156 174.700 -0.148 0.000 1.265 206 T CA 0.299 62.337 62.100 -0.103 0.000 1.036 206 T CB 1.502 70.331 68.868 -0.064 0.000 1.209 206 T HN 1.168 nan 8.240 nan 0.000 0.484 207 A N 1.615 124.321 122.820 -0.190 0.000 2.594 207 A HA 0.909 5.182 4.320 -0.078 0.000 0.296 207 A C 0.125 177.566 177.584 -0.238 0.000 1.061 207 A CA 0.170 52.002 52.037 -0.343 0.000 0.689 207 A CB 0.882 19.494 19.000 -0.646 0.000 1.280 207 A HN 2.269 nan 8.150 nan 0.000 0.406 208 G N 0.611 109.355 108.800 -0.092 0.000 2.592 208 G HA2 0.263 4.176 3.960 -0.078 0.000 0.684 208 G HA3 0.263 4.176 3.960 -0.078 0.000 0.684 208 G C -3.035 171.939 174.900 0.123 0.000 1.291 208 G CA -0.278 44.899 45.100 0.128 0.000 0.891 208 G HN 1.142 nan 8.290 nan 0.000 0.544 209 P HA 0.527 nan 4.420 nan 0.000 0.269 209 P C 0.708 178.091 177.300 0.139 0.000 1.209 209 P CA 1.327 64.481 63.100 0.090 0.000 0.776 209 P CB 1.266 32.998 31.700 0.053 0.000 0.876 210 G N 1.556 110.429 108.800 0.122 0.000 2.350 210 G HA2 -0.009 3.904 3.960 -0.078 0.000 0.276 210 G HA3 -0.009 3.904 3.960 -0.078 0.000 0.276 210 G C -1.390 173.576 174.900 0.110 0.000 1.313 210 G CA -0.724 44.449 45.100 0.121 0.000 0.903 210 G HN 0.649 nan 8.290 nan 0.000 0.490 211 N N 0.594 119.361 118.700 0.112 0.000 2.439 211 N HA 0.505 5.198 4.740 -0.078 0.000 0.243 211 N C 0.047 175.620 175.510 0.105 0.000 1.088 211 N CA -0.344 52.742 53.050 0.062 0.000 0.940 211 N CB -0.105 38.390 38.487 0.013 0.000 1.180 211 N HN 0.810 nan 8.380 nan 0.000 0.505 212 I N -0.093 120.489 120.570 0.020 0.000 3.100 212 I HA 0.789 4.912 4.170 -0.078 0.000 0.312 212 I C -0.151 175.924 176.117 -0.069 0.000 1.063 212 I CA -0.985 60.277 61.300 -0.063 0.000 1.031 212 I CB 1.743 39.641 38.000 -0.171 0.000 1.243 212 I HN 0.379 nan 8.210 nan 0.000 0.483 213 S N 0.484 116.126 115.700 -0.097 0.000 2.556 213 S HA 0.673 5.096 4.470 -0.078 0.000 0.271 213 S C -1.305 173.229 174.600 -0.110 0.000 1.135 213 S CA -0.935 57.217 58.200 -0.081 0.000 0.858 213 S CB 1.485 64.656 63.200 -0.047 0.000 1.114 213 S HN 0.756 nan 8.310 nan 0.000 0.468 214 Q N 0.596 120.330 119.800 -0.112 0.000 2.301 214 Q HA 0.746 5.039 4.340 -0.078 0.000 0.267 214 Q C -1.083 174.835 176.000 -0.137 0.000 1.035 214 Q CA -0.908 54.810 55.803 -0.143 0.000 0.856 214 Q CB 2.142 30.780 28.738 -0.166 0.000 1.337 214 Q HN 0.736 nan 8.270 nan 0.000 0.450 215 T N -0.001 114.460 114.554 -0.155 0.000 2.991 215 T HA 0.651 4.954 4.350 -0.078 0.000 0.303 215 T C -1.172 173.435 174.700 -0.155 0.000 1.015 215 T CA -0.504 61.530 62.100 -0.111 0.000 1.007 215 T CB 1.183 70.011 68.868 -0.067 0.000 1.034 215 T HN 0.733 nan 8.240 nan 0.000 0.446 216 G N 3.207 111.919 108.800 -0.147 0.000 2.666 216 G HA2 0.529 4.442 3.960 -0.078 0.000 0.303 216 G HA3 0.529 4.442 3.960 -0.078 0.000 0.303 216 G C -0.948 174.034 174.900 0.136 0.000 1.412 216 G CA -0.602 44.347 45.100 -0.251 0.000 0.979 216 G HN 0.831 nan 8.290 nan 0.000 0.507 217 Q N 1.669 121.555 119.800 0.143 0.000 2.288 217 Q HA 0.432 4.725 4.340 -0.078 0.000 0.254 217 Q C -0.814 175.150 176.000 -0.058 0.000 0.932 217 Q CA -0.464 55.259 55.803 -0.133 0.000 0.902 217 Q CB 0.860 29.460 28.738 -0.229 0.000 1.203 217 Q HN 0.347 nan 8.270 nan 0.000 0.415 218 I N 7.543 127.952 120.570 -0.268 0.000 2.312 218 I HA 0.284 4.407 4.170 -0.078 0.000 0.290 218 I C -2.077 173.797 176.117 -0.405 0.000 1.008 218 I CA -2.472 58.601 61.300 -0.378 0.000 1.226 218 I CB 1.275 38.867 38.000 -0.681 0.000 1.371 218 I HN 0.559 nan 8.210 nan 0.000 0.468 219 P HA 0.105 nan 4.420 nan 0.000 0.266 219 P C -0.757 176.397 177.300 -0.243 0.000 1.215 219 P CA 0.038 62.999 63.100 -0.232 0.000 0.763 219 P CB 0.426 32.023 31.700 -0.171 0.000 0.806 220 L N 2.830 123.953 121.223 -0.167 0.000 2.312 220 L HA 0.501 4.794 4.340 -0.078 0.000 0.281 220 L C 1.146 177.990 176.870 -0.043 0.000 1.070 220 L CA -0.974 53.814 54.840 -0.086 0.000 0.805 220 L CB 0.977 43.043 42.059 0.012 0.000 1.174 220 L HN 0.357 nan 8.230 nan 0.000 0.434 221 A N 2.419 125.227 122.820 -0.019 0.000 2.386 221 A HA 0.586 4.859 4.320 -0.078 0.000 0.248 221 A C 0.412 177.998 177.584 0.003 0.000 1.082 221 A CA -0.192 51.839 52.037 -0.010 0.000 0.789 221 A CB 0.396 19.396 19.000 0.001 0.000 1.025 221 A HN 0.825 nan 8.150 nan 0.000 0.490 222 A N 0.725 123.544 122.820 -0.002 0.000 2.488 222 A HA 0.580 4.853 4.320 -0.078 0.000 0.249 222 A C 1.087 178.674 177.584 0.005 0.000 1.083 222 A CA 0.884 52.922 52.037 0.002 0.000 0.768 222 A CB -0.758 18.241 19.000 -0.002 0.000 1.017 222 A HN 2.846 nan 8.150 nan 0.000 0.496 223 G N 1.042 109.847 108.800 0.009 0.000 2.362 223 G HA2 0.330 4.243 3.960 -0.078 0.000 0.517 223 G HA3 0.330 4.243 3.960 -0.078 0.000 0.517 223 G C 0.788 175.691 174.900 0.004 0.000 1.256 223 G CA 0.117 45.220 45.100 0.005 0.000 1.027 223 G HN 1.577 nan 8.290 nan 0.000 0.491 224 G N -0.100 108.695 108.800 -0.009 0.000 2.414 224 G HA2 0.328 4.241 3.960 -0.078 0.000 0.215 224 G HA3 0.328 4.241 3.960 -0.078 0.000 0.215 224 G C 0.811 175.671 174.900 -0.067 0.000 1.188 224 G CA 1.895 46.975 45.100 -0.032 0.000 0.783 224 G HN 1.317 nan 8.290 nan 0.000 0.537 225 K N -0.901 119.473 120.400 -0.044 0.000 2.267 225 K HA 0.655 4.928 4.320 -0.078 0.000 0.246 225 K C -1.546 175.067 176.600 0.022 0.000 0.954 225 K CA -0.739 55.524 56.287 -0.039 0.000 0.824 225 K CB 2.217 34.691 32.500 -0.045 0.000 1.167 225 K HN -0.057 nan 8.250 nan 0.000 0.431 226 T N 0.911 115.515 114.554 0.084 0.000 2.881 226 T HA 0.271 4.574 4.350 -0.078 0.000 0.290 226 T C -1.464 173.361 174.700 0.208 0.000 1.000 226 T CA -0.632 61.544 62.100 0.126 0.000 0.978 226 T CB 1.133 70.072 68.868 0.118 0.000 0.997 226 T HN 0.694 nan 8.240 nan 0.000 0.443 227 E N 3.559 123.856 120.200 0.161 0.000 2.171 227 E HA 0.667 4.970 4.350 -0.078 0.000 0.271 227 E C -0.940 175.787 176.600 0.212 0.000 0.916 227 E CA -0.691 55.778 56.400 0.115 0.000 0.774 227 E CB 1.493 31.196 29.700 0.006 0.000 1.128 227 E HN 0.596 nan 8.360 nan 0.000 0.403 228 F N -0.725 119.152 119.950 -0.122 0.000 2.831 228 F HA 0.679 5.159 4.527 -0.078 0.000 0.318 228 F C -1.168 174.531 175.800 -0.169 0.000 1.174 228 F CA -1.142 56.782 58.000 -0.127 0.000 0.918 228 F CB 0.890 39.817 39.000 -0.122 0.000 1.364 228 F HN 0.286 nan 8.300 nan 0.000 0.475 229 S N 0.721 116.344 115.700 -0.128 0.000 2.564 229 S HA 0.860 5.283 4.470 -0.078 0.000 0.274 229 S C -1.699 172.886 174.600 -0.026 0.000 1.124 229 S CA -0.864 57.185 58.200 -0.251 0.000 0.869 229 S CB 1.858 64.955 63.200 -0.172 0.000 1.105 229 S HN 0.880 nan 8.310 nan 0.000 0.472 230 L N 1.261 122.460 121.223 -0.040 0.000 2.342 230 L HA 0.885 5.178 4.340 -0.078 0.000 0.271 230 L C -0.233 176.663 176.870 0.044 0.000 1.008 230 L CA -1.101 53.775 54.840 0.060 0.000 0.818 230 L CB 2.041 44.179 42.059 0.133 0.000 1.296 230 L HN 0.983 nan 8.230 nan 0.000 0.427 231 A N 2.898 125.754 122.820 0.061 0.000 2.343 231 A HA 0.697 4.970 4.320 -0.078 0.000 0.308 231 A C -1.301 176.315 177.584 0.054 0.000 1.092 231 A CA -0.394 51.678 52.037 0.057 0.000 0.751 231 A CB 1.443 20.471 19.000 0.046 0.000 1.203 231 A HN 0.532 nan 8.150 nan 0.000 0.452 232 L N 3.314 124.576 121.223 0.066 0.000 2.313 232 L HA 0.641 4.934 4.340 -0.078 0.000 0.273 232 L C 0.529 177.415 176.870 0.026 0.000 1.028 232 L CA 0.148 54.997 54.840 0.015 0.000 0.871 232 L CB 0.943 43.045 42.059 0.073 0.000 1.242 232 L HN 0.755 nan 8.230 nan 0.000 0.434 233 G N 3.104 111.857 108.800 -0.078 0.000 2.400 233 G HA2 0.507 4.420 3.960 -0.078 0.000 0.301 233 G HA3 0.507 4.420 3.960 -0.078 0.000 0.301 233 G C -1.073 173.661 174.900 -0.276 0.000 1.154 233 G CA -0.297 44.783 45.100 -0.033 0.000 0.852 233 G HN 0.385 nan 8.290 nan 0.000 0.511 234 F N -0.236 119.558 119.950 -0.260 0.000 2.561 234 F HA 0.777 5.256 4.527 -0.079 0.000 0.321 234 F C 0.736 176.293 175.800 -0.405 0.000 1.065 234 F CA -0.173 57.509 58.000 -0.531 0.000 0.934 234 F CB 2.959 41.221 39.000 -1.230 0.000 1.215 234 F HN 0.808 nan 8.300 nan 0.000 0.471 235 G N -0.299 108.435 108.800 -0.109 0.000 2.559 235 G HA2 0.475 4.388 3.960 -0.078 0.000 0.291 235 G HA3 0.475 4.388 3.960 -0.078 0.000 0.291 235 G C -0.383 174.670 174.900 0.256 0.000 1.424 235 G CA -0.215 44.970 45.100 0.141 0.000 0.786 235 G HN 0.800 nan 8.290 nan 0.000 0.485 236 A N -0.835 122.128 122.820 0.238 0.000 2.066 236 A HA 0.384 4.657 4.320 -0.078 0.000 0.218 236 A C 0.904 178.563 177.584 0.125 0.000 1.157 236 A CA 2.292 54.442 52.037 0.189 0.000 0.670 236 A CB -0.530 18.552 19.000 0.136 0.000 0.804 236 A HN 1.081 nan 8.150 nan 0.000 0.453 237 D N -5.657 114.799 120.400 0.093 0.000 2.596 237 D HA 0.356 4.949 4.640 -0.078 0.000 0.262 237 D C 0.452 176.769 176.300 0.028 0.000 1.210 237 D CA 0.049 54.083 54.000 0.056 0.000 0.873 237 D CB 0.071 40.900 40.800 0.048 0.000 1.408 237 D HN -0.209 nan 8.370 nan 0.000 0.441 238 T N -0.186 114.375 114.554 0.011 0.000 2.665 238 T HA -0.180 4.123 4.350 -0.078 0.000 0.268 238 T C 1.878 176.574 174.700 -0.008 0.000 1.035 238 T CA 2.572 64.665 62.100 -0.011 0.000 1.151 238 T CB -0.600 68.261 68.868 -0.012 0.000 0.862 238 T HN 0.602 nan 8.240 nan 0.000 0.438 239 A N 0.972 123.795 122.820 0.006 0.000 1.902 239 A HA -0.151 4.122 4.320 -0.078 0.000 0.217 239 A C 2.217 179.809 177.584 0.012 0.000 1.181 239 A CA 1.963 54.005 52.037 0.009 0.000 0.623 239 A CB -0.606 18.402 19.000 0.014 0.000 0.818 239 A HN 0.625 nan 8.150 nan 0.000 0.443 240 E N -0.217 119.997 120.200 0.022 0.000 2.051 240 E HA -0.134 4.169 4.350 -0.078 0.000 0.192 240 E C 2.228 178.838 176.600 0.017 0.000 0.991 240 E CA 0.991 57.411 56.400 0.032 0.000 0.799 240 E CB -0.241 29.494 29.700 0.058 0.000 0.748 240 E HN 0.537 nan 8.360 nan 0.000 0.449 241 A N 1.687 124.503 122.820 -0.008 0.000 1.883 241 A HA -0.186 4.087 4.320 -0.078 0.000 0.217 241 A C 2.255 179.812 177.584 -0.044 0.000 1.186 241 A CA 1.146 53.151 52.037 -0.053 0.000 0.624 241 A CB -0.792 18.139 19.000 -0.116 0.000 0.822 241 A HN 0.410 nan 8.150 nan 0.000 0.444 242 L N -0.819 120.386 121.223 -0.029 0.000 2.046 242 L HA -0.190 4.103 4.340 -0.078 0.000 0.208 242 L C 2.909 179.778 176.870 -0.001 0.000 1.077 242 L CA 1.650 56.481 54.840 -0.015 0.000 0.747 242 L CB -0.602 41.453 42.059 -0.007 0.000 0.896 242 L HN 0.456 nan 8.230 nan 0.000 0.432 243 A N -0.954 121.869 122.820 0.005 0.000 1.902 243 A HA -0.196 4.077 4.320 -0.078 0.000 0.217 243 A C 2.186 179.779 177.584 0.016 0.000 1.181 243 A CA 2.209 54.253 52.037 0.012 0.000 0.623 243 A CB -0.845 18.164 19.000 0.016 0.000 0.818 243 A HN 0.465 nan 8.150 nan 0.000 0.443 244 T N 0.184 114.748 114.554 0.018 0.000 2.777 244 T HA 0.033 4.336 4.350 -0.078 0.000 0.266 244 T C 2.247 176.961 174.700 0.024 0.000 1.040 244 T CA 1.454 63.570 62.100 0.026 0.000 1.141 244 T CB -0.419 68.472 68.868 0.038 0.000 0.868 244 T HN 0.584 nan 8.240 nan 0.000 0.444 245 A N 1.998 124.826 122.820 0.014 0.000 1.877 245 A HA -0.137 4.136 4.320 -0.078 0.000 0.216 245 A C 2.248 179.844 177.584 0.019 0.000 1.186 245 A CA 1.605 53.653 52.037 0.017 0.000 0.620 245 A CB -0.450 18.552 19.000 0.004 0.000 0.822 245 A HN 0.461 nan 8.150 nan 0.000 0.443 246 K N -0.249 120.160 120.400 0.015 0.000 2.097 246 K HA -0.059 4.214 4.320 -0.078 0.000 0.206 246 K C 2.254 178.862 176.600 0.014 0.000 1.049 246 K CA 1.088 57.383 56.287 0.013 0.000 0.933 246 K CB -0.343 32.163 32.500 0.011 0.000 0.717 246 K HN 0.444 nan 8.250 nan 0.000 0.442 247 A N 1.133 123.962 122.820 0.015 0.000 1.933 247 A HA -0.162 4.111 4.320 -0.078 0.000 0.218 247 A C 2.214 179.807 177.584 0.014 0.000 1.175 247 A CA 1.812 53.858 52.037 0.014 0.000 0.628 247 A CB -0.461 18.548 19.000 0.016 0.000 0.814 247 A HN 0.168 nan 8.150 nan 0.000 0.444 248 S N -0.140 115.572 115.700 0.019 0.000 2.345 248 S HA -0.070 4.353 4.470 -0.078 0.000 0.220 248 S C 1.829 176.441 174.600 0.021 0.000 1.031 248 S CA 1.416 59.627 58.200 0.019 0.000 0.996 248 S CB -0.465 62.751 63.200 0.027 0.000 0.882 248 S HN 0.517 nan 8.310 nan 0.000 0.445 249 L N 1.090 122.328 121.223 0.024 0.000 2.131 249 L HA -0.086 4.207 4.340 -0.078 0.000 0.210 249 L C 2.703 179.584 176.870 0.019 0.000 1.092 249 L CA 1.099 55.954 54.840 0.025 0.000 0.759 249 L CB -1.059 41.010 42.059 0.016 0.000 0.903 249 L HN 0.432 nan 8.230 nan 0.000 0.435 250 G N -0.878 107.930 108.800 0.013 0.000 2.442 250 G HA2 -0.235 3.678 3.960 -0.078 0.000 0.219 250 G HA3 -0.235 3.678 3.960 -0.078 0.000 0.219 250 G C 1.584 176.490 174.900 0.009 0.000 1.141 250 G CA 1.343 46.449 45.100 0.010 0.000 0.763 250 G HN 0.288 nan 8.290 nan 0.000 0.554 251 T N 0.031 114.590 114.554 0.009 0.000 2.896 251 T HA 0.393 4.696 4.350 -0.078 0.000 0.263 251 T C 1.140 175.844 174.700 0.007 0.000 1.050 251 T CA 1.253 63.356 62.100 0.004 0.000 1.140 251 T CB -0.278 68.588 68.868 -0.003 0.000 0.877 251 T HN 1.214 nan 8.240 nan 0.000 0.457 252 G N -0.340 108.470 108.800 0.017 0.000 2.697 252 G HA2 -0.160 3.753 3.960 -0.078 0.000 0.686 252 G HA3 -0.160 3.753 3.960 -0.078 0.000 0.686 252 G C -0.049 174.874 174.900 0.038 0.000 1.179 252 G CA -0.177 44.946 45.100 0.038 0.000 0.765 252 G HN 0.164 nan 8.290 nan 0.000 0.649 253 Y N 1.651 121.933 120.300 -0.030 0.000 2.097 253 Y HA -0.154 4.349 4.550 -0.078 0.000 0.282 253 Y C 2.804 178.688 175.900 -0.028 0.000 1.152 253 Y CA 2.780 60.855 58.100 -0.043 0.000 1.136 253 Y CB -0.027 38.391 38.460 -0.069 0.000 0.975 253 Y HN 0.561 nan 8.280 nan 0.000 0.498 254 K N 0.345 120.765 120.400 0.033 0.000 2.044 254 K HA -0.242 4.031 4.320 -0.078 0.000 0.210 254 K C 2.116 178.654 176.600 -0.103 0.000 1.049 254 K CA 1.874 58.143 56.287 -0.030 0.000 0.927 254 K CB -0.426 32.107 32.500 0.055 0.000 0.713 254 K HN 0.208 nan 8.250 nan 0.000 0.443 255 K N 0.921 121.281 120.400 -0.066 0.000 2.026 255 K HA -0.078 4.195 4.320 -0.078 0.000 0.208 255 K C 2.071 178.622 176.600 -0.082 0.000 1.048 255 K CA 0.929 57.184 56.287 -0.054 0.000 0.929 255 K CB -0.278 32.206 32.500 -0.027 0.000 0.713 255 K HN -0.113 nan 8.250 nan 0.000 0.439 256 V N 0.221 120.062 119.914 -0.122 0.000 2.343 256 V HA -0.243 3.830 4.120 -0.078 0.000 0.247 256 V C 2.327 178.326 176.094 -0.159 0.000 1.051 256 V CA 2.087 64.313 62.300 -0.123 0.000 1.036 256 V CB -0.596 31.146 31.823 -0.136 0.000 0.654 256 V HN 0.462 nan 8.190 nan 0.000 0.451 257 S N -0.582 114.902 115.700 -0.361 0.000 2.359 257 S HA -0.265 4.158 4.470 -0.078 0.000 0.224 257 S C 2.078 176.640 174.600 -0.062 0.000 1.035 257 S CA 1.959 59.953 58.200 -0.344 0.000 1.018 257 S CB -0.205 62.599 63.200 -0.659 0.000 0.876 257 S HN 0.630 nan 8.310 nan 0.000 0.448 258 K N 0.565 120.925 120.400 -0.066 0.000 2.026 258 K HA -0.058 4.215 4.320 -0.078 0.000 0.208 258 K C 2.577 179.193 176.600 0.027 0.000 1.048 258 K CA 1.463 57.749 56.287 -0.003 0.000 0.929 258 K CB -0.516 31.975 32.500 -0.014 0.000 0.713 258 K HN 0.362 nan 8.250 nan 0.000 0.439 259 S N 0.414 116.123 115.700 0.015 0.000 2.359 259 S HA -0.227 4.196 4.470 -0.078 0.000 0.224 259 S C 1.969 176.599 174.600 0.050 0.000 1.035 259 S CA 1.272 59.482 58.200 0.018 0.000 1.018 259 S CB -0.387 62.816 63.200 0.005 0.000 0.876 259 S HN 0.411 nan 8.310 nan 0.000 0.448 260 Y N 1.760 122.039 120.300 -0.036 0.000 2.145 260 Y HA -0.101 4.402 4.550 -0.078 0.000 0.286 260 Y C 2.548 178.515 175.900 0.112 0.000 1.145 260 Y CA 2.303 60.411 58.100 0.015 0.000 1.148 260 Y CB -0.906 37.582 38.460 0.047 0.000 0.981 260 Y HN 0.266 nan 8.280 nan 0.000 0.507 261 T N -0.272 114.416 114.554 0.223 0.000 2.904 261 T HA -0.065 4.238 4.350 -0.078 0.000 0.267 261 T C 1.939 176.690 174.700 0.085 0.000 1.059 261 T CA 1.178 63.376 62.100 0.164 0.000 1.137 261 T CB -0.798 68.168 68.868 0.164 0.000 0.879 261 T HN 0.597 nan 8.240 nan 0.000 0.467 262 G N 1.303 110.127 108.800 0.040 0.000 2.408 262 G HA2 -0.143 3.770 3.960 -0.078 0.000 0.217 262 G HA3 -0.143 3.770 3.960 -0.078 0.000 0.217 262 G C 1.450 176.337 174.900 -0.021 0.000 1.150 262 G CA 0.428 45.537 45.100 0.014 0.000 0.776 262 G HN 0.492 nan 8.290 nan 0.000 0.542 263 E N -0.240 119.894 120.200 -0.110 0.000 2.051 263 E HA -0.158 4.145 4.350 -0.078 0.000 0.192 263 E C 2.237 178.724 176.600 -0.188 0.000 0.991 263 E CA 0.886 57.156 56.400 -0.217 0.000 0.799 263 E CB -0.228 29.221 29.700 -0.418 0.000 0.748 263 E HN 0.701 nan 8.360 nan 0.000 0.449 264 W N 1.597 122.820 121.300 -0.129 0.000 2.358 264 W HA -0.142 4.471 4.660 -0.079 0.000 0.303 264 W C 2.575 179.107 176.519 0.022 0.000 1.208 264 W CA 0.792 58.095 57.345 -0.070 0.000 1.274 264 W CB 0.006 29.358 29.460 -0.180 0.000 1.138 264 W HN 0.003 nan 8.180 nan 0.000 0.515 265 K N 1.167 121.698 120.400 0.218 0.000 2.026 265 K HA -0.256 4.017 4.320 -0.078 0.000 0.208 265 K C 2.088 178.752 176.600 0.106 0.000 1.048 265 K CA 1.757 58.125 56.287 0.135 0.000 0.929 265 K CB -0.300 32.248 32.500 0.080 0.000 0.713 265 K HN -0.022 nan 8.250 nan 0.000 0.439 266 K N -0.372 120.077 120.400 0.081 0.000 2.097 266 K HA -0.214 4.059 4.320 -0.078 0.000 0.206 266 K C 2.116 178.764 176.600 0.081 0.000 1.049 266 K CA 1.479 57.798 56.287 0.054 0.000 0.933 266 K CB -0.273 32.240 32.500 0.022 0.000 0.717 266 K HN 0.255 nan 8.250 nan 0.000 0.442 267 Y N 0.867 121.167 120.300 0.000 0.000 2.114 267 Y HA -0.279 4.224 4.550 -0.078 0.000 0.284 267 Y C 1.824 177.771 175.900 0.078 0.000 1.143 267 Y CA 1.226 59.338 58.100 0.020 0.000 1.135 267 Y CB -0.073 38.391 38.460 0.007 0.000 0.980 267 Y HN -0.002 nan 8.280 nan 0.000 0.499 268 L N 0.891 122.141 121.223 0.045 0.000 1.989 268 L HA -0.269 4.024 4.340 -0.078 0.000 0.211 268 L C 2.195 179.030 176.870 -0.058 0.000 1.071 268 L CA 2.122 56.941 54.840 -0.035 0.000 0.749 268 L CB -1.993 40.121 42.059 0.091 0.000 0.890 268 L HN 0.392 nan 8.230 nan 0.000 0.431 269 N N -0.244 118.449 118.700 -0.011 0.000 2.348 269 N HA -0.180 4.513 4.740 -0.078 0.000 0.185 269 N C 1.886 177.372 175.510 -0.040 0.000 1.019 269 N CA 1.350 54.392 53.050 -0.014 0.000 0.880 269 N CB 0.067 38.557 38.487 0.004 0.000 0.965 269 N HN 0.423 nan 8.380 nan 0.000 0.437 270 S N -1.046 114.611 115.700 -0.072 0.000 2.501 270 S HA 0.128 4.551 4.470 -0.078 0.000 0.220 270 S C 0.813 175.352 174.600 -0.102 0.000 0.997 270 S CA -0.239 57.916 58.200 -0.076 0.000 0.919 270 S CB -0.145 63.015 63.200 -0.066 0.000 0.778 270 S HN 0.171 nan 8.310 nan 0.000 0.523 271 L N 1.405 122.538 121.223 -0.150 0.000 2.469 271 L HA 0.442 4.735 4.340 -0.078 0.000 0.253 271 L C 0.411 177.252 176.870 -0.049 0.000 1.143 271 L CA -0.947 53.818 54.840 -0.125 0.000 0.804 271 L CB 0.086 42.027 42.059 -0.197 0.000 1.214 271 L HN 0.094 nan 8.230 nan 0.000 0.476 272 D N 0.582 120.969 120.400 -0.021 0.000 2.472 272 D HA 0.180 4.773 4.640 -0.078 0.000 0.237 272 D C -0.294 176.001 176.300 -0.009 0.000 1.141 272 D CA 0.104 54.099 54.000 -0.009 0.000 0.875 272 D CB 1.032 41.833 40.800 0.002 0.000 1.192 272 D HN 0.545 nan 8.370 nan 0.000 0.450 273 A N 4.752 127.551 122.820 -0.035 0.000 2.409 273 A HA 0.410 4.683 4.320 -0.078 0.000 0.267 273 A C -2.065 175.447 177.584 -0.120 0.000 1.127 273 A CA -1.094 50.905 52.037 -0.063 0.000 0.795 273 A CB 0.123 19.090 19.000 -0.055 0.000 1.061 273 A HN 0.520 nan 8.150 nan 0.000 0.502 274 P HA 0.247 nan 4.420 nan 0.000 0.272 274 P C 0.136 177.290 177.300 -0.243 0.000 1.240 274 P CA -0.048 62.814 63.100 -0.397 0.000 0.791 274 P CB 0.579 31.757 31.700 -0.871 0.000 0.978 275 A N 1.479 124.168 122.820 -0.218 0.000 2.587 275 A HA 0.065 4.338 4.320 -0.078 0.000 0.235 275 A C 1.768 179.283 177.584 -0.115 0.000 1.044 275 A CA 0.789 52.747 52.037 -0.133 0.000 0.754 275 A CB -0.869 18.066 19.000 -0.109 0.000 0.968 275 A HN 0.702 nan 8.150 nan 0.000 0.509 276 T N -0.301 114.207 114.554 -0.078 0.000 2.929 276 T HA -0.152 4.151 4.350 -0.078 0.000 0.271 276 T C 1.545 176.216 174.700 -0.049 0.000 1.085 276 T CA 1.535 63.599 62.100 -0.060 0.000 1.125 276 T CB -0.648 68.194 68.868 -0.043 0.000 0.874 276 T HN 1.207 nan 8.240 nan 0.000 0.494 277 S N 0.963 116.635 115.700 -0.047 0.000 2.603 277 S HA 0.210 4.633 4.470 -0.078 0.000 0.229 277 S C 0.766 175.349 174.600 -0.030 0.000 0.972 277 S CA -0.259 57.922 58.200 -0.032 0.000 0.935 277 S CB -0.805 62.380 63.200 -0.025 0.000 0.769 277 S HN 0.544 nan 8.310 nan 0.000 0.536 278 L N 4.108 125.302 121.223 -0.049 0.000 2.363 278 L HA 0.201 4.494 4.340 -0.078 0.000 0.286 278 L C 0.992 177.850 176.870 -0.019 0.000 1.106 278 L CA -0.479 54.341 54.840 -0.034 0.000 0.859 278 L CB -0.103 41.914 42.059 -0.071 0.000 1.223 278 L HN 0.365 nan 8.230 nan 0.000 0.446 279 T N -0.182 114.371 114.554 -0.001 0.000 2.791 279 T HA 0.060 4.363 4.350 -0.078 0.000 0.323 279 T C 1.629 176.330 174.700 0.002 0.000 1.082 279 T CA -0.056 62.045 62.100 0.003 0.000 1.084 279 T CB 1.286 70.162 68.868 0.013 0.000 0.992 279 T HN 0.663 nan 8.240 nan 0.000 0.547 280 G N 1.403 110.206 108.800 0.006 0.000 2.766 280 G HA2 -0.276 3.637 3.960 -0.078 0.000 0.222 280 G HA3 -0.276 3.637 3.960 -0.078 0.000 0.222 280 G C 1.844 176.749 174.900 0.008 0.000 1.225 280 G CA 1.708 46.814 45.100 0.009 0.000 0.784 280 G HN 1.326 nan 8.290 nan 0.000 0.631 281 A N 0.206 123.035 122.820 0.014 0.000 1.908 281 A HA 0.056 4.329 4.320 -0.078 0.000 0.218 281 A C 2.512 180.006 177.584 -0.149 0.000 1.181 281 A CA 1.689 53.718 52.037 -0.013 0.000 0.627 281 A CB -0.400 18.588 19.000 -0.021 0.000 0.818 281 A HN 0.425 nan 8.150 nan 0.000 0.445 282 L N -1.515 119.655 121.223 -0.088 0.000 2.217 282 L HA -0.095 4.198 4.340 -0.078 0.000 0.211 282 L C 2.677 179.619 176.870 0.120 0.000 1.107 282 L CA 1.306 56.161 54.840 0.026 0.000 0.783 282 L CB -0.430 41.692 42.059 0.105 0.000 0.919 282 L HN 0.355 nan 8.230 nan 0.000 0.442 283 R N 0.403 120.928 120.500 0.043 0.000 2.062 283 R HA -0.081 4.212 4.340 -0.078 0.000 0.229 283 R C 2.200 178.526 176.300 0.043 0.000 1.128 283 R CA 1.930 58.060 56.100 0.050 0.000 0.960 283 R CB -0.868 29.429 30.300 -0.006 0.000 0.855 283 R HN 0.105 nan 8.270 nan 0.000 0.432 284 T N 0.722 115.231 114.554 -0.076 0.000 2.788 284 T HA -0.160 4.143 4.350 -0.078 0.000 0.268 284 T C 1.495 175.965 174.700 -0.384 0.000 1.044 284 T CA 1.524 63.456 62.100 -0.279 0.000 1.139 284 T CB -0.285 68.319 68.868 -0.440 0.000 0.867 284 T HN 0.225 nan 8.240 nan 0.000 0.454 285 Q N 0.296 119.971 119.800 -0.208 0.000 2.124 285 Q HA -0.115 4.178 4.340 -0.078 0.000 0.202 285 Q C 1.859 177.760 176.000 -0.166 0.000 0.977 285 Q CA 1.530 57.233 55.803 -0.167 0.000 0.850 285 Q CB -0.652 27.911 28.738 -0.291 0.000 0.901 285 Q HN 0.711 nan 8.270 nan 0.000 0.429 286 Y N 0.623 120.925 120.300 0.003 0.000 2.114 286 Y HA -0.200 4.303 4.550 -0.078 0.000 0.284 286 Y C 1.593 177.517 175.900 0.040 0.000 1.143 286 Y CA 2.209 60.424 58.100 0.192 0.000 1.135 286 Y CB -0.264 38.319 38.460 0.205 0.000 0.980 286 Y HN 0.186 nan 8.280 nan 0.000 0.499 287 D N -0.407 120.059 120.400 0.109 0.000 2.104 287 D HA -0.190 4.403 4.640 -0.078 0.000 0.194 287 D C 2.383 178.599 176.300 -0.141 0.000 0.994 287 D CA 1.882 55.876 54.000 -0.010 0.000 0.830 287 D CB -0.558 40.239 40.800 -0.006 0.000 0.959 287 D HN 0.319 nan 8.370 nan 0.000 0.452 288 V N 0.684 120.483 119.914 -0.192 0.000 2.427 288 V HA -0.180 3.893 4.120 -0.078 0.000 0.248 288 V C 2.473 178.484 176.094 -0.138 0.000 1.051 288 V CA 1.530 63.718 62.300 -0.187 0.000 1.048 288 V CB -0.446 31.271 31.823 -0.176 0.000 0.666 288 V HN 0.125 nan 8.190 nan 0.000 0.456 289 S N -0.221 115.395 115.700 -0.140 0.000 2.368 289 S HA -0.109 4.314 4.470 -0.078 0.000 0.224 289 S C 1.916 176.450 174.600 -0.110 0.000 1.029 289 S CA 1.376 59.513 58.200 -0.106 0.000 0.988 289 S CB -0.321 62.831 63.200 -0.080 0.000 0.838 289 S HN 0.481 nan 8.310 nan 0.000 0.462 290 L N 1.022 122.130 121.223 -0.191 0.000 1.994 290 L HA -0.143 4.150 4.340 -0.078 0.000 0.208 290 L C 2.358 179.244 176.870 0.027 0.000 1.071 290 L CA 1.496 56.253 54.840 -0.138 0.000 0.745 290 L CB -0.311 41.604 42.059 -0.240 0.000 0.892 290 L HN 0.397 nan 8.230 nan 0.000 0.431 291 M N -1.447 118.123 119.600 -0.050 0.000 2.117 291 M HA -0.194 4.239 4.480 -0.078 0.000 0.262 291 M C 2.118 178.337 176.300 -0.135 0.000 1.065 291 M CA 2.022 57.208 55.300 -0.190 0.000 1.114 291 M CB -0.709 31.451 32.600 -0.734 0.000 1.361 291 M HN 0.238 nan 8.290 nan 0.000 0.408 292 T N 0.771 115.274 114.554 -0.086 0.000 2.746 292 T HA -0.113 4.190 4.350 -0.078 0.000 0.267 292 T C 1.932 176.762 174.700 0.217 0.000 1.039 292 T CA 1.385 63.518 62.100 0.055 0.000 1.142 292 T CB -0.369 68.517 68.868 0.031 0.000 0.866 292 T HN 0.135 nan 8.240 nan 0.000 0.444 293 V N 1.581 121.563 119.914 0.113 0.000 2.343 293 V HA -0.146 3.927 4.120 -0.078 0.000 0.247 293 V C 2.690 178.979 176.094 0.325 0.000 1.051 293 V CA 1.404 63.781 62.300 0.129 0.000 1.036 293 V CB -0.475 31.371 31.823 0.039 0.000 0.654 293 V HN 0.300 nan 8.190 nan 0.000 0.451 294 K N 0.419 121.003 120.400 0.306 0.000 2.063 294 K HA -0.127 4.146 4.320 -0.078 0.000 0.208 294 K C 2.190 178.992 176.600 0.337 0.000 1.048 294 K CA 1.801 58.300 56.287 0.354 0.000 0.928 294 K CB -0.500 32.198 32.500 0.330 0.000 0.713 294 K HN 0.491 nan 8.250 nan 0.000 0.442 295 S N 0.089 116.007 115.700 0.363 0.000 2.547 295 S HA -0.081 4.342 4.470 -0.078 0.000 0.235 295 S C 0.883 175.663 174.600 0.301 0.000 0.980 295 S CA 0.548 58.960 58.200 0.353 0.000 0.941 295 S CB -0.280 63.084 63.200 0.274 0.000 0.763 295 S HN 0.380 nan 8.310 nan 0.000 0.532 296 H N 0.899 120.078 119.070 0.183 0.000 2.526 296 H HA 0.306 4.814 4.556 -0.078 0.000 0.274 296 H C 0.585 175.831 175.328 -0.137 0.000 0.999 296 H CA -0.026 56.057 56.048 0.059 0.000 1.157 296 H CB 0.149 29.983 29.762 0.119 0.000 1.407 296 H HN 0.414 nan 8.280 nan 0.000 0.568 297 E N 1.209 121.281 120.200 -0.214 0.000 2.249 297 E HA 0.077 4.380 4.350 -0.078 0.000 0.280 297 E C -0.557 175.886 176.600 -0.262 0.000 1.016 297 E CA -0.700 55.225 56.400 -0.792 0.000 0.830 297 E CB 0.895 30.004 29.700 -0.985 0.000 1.081 297 E HN 0.225 nan 8.360 nan 0.000 0.395 298 D N 2.514 122.715 120.400 -0.332 0.000 2.357 298 D HA 0.007 4.600 4.640 -0.078 0.000 0.242 298 D C 0.533 176.866 176.300 0.056 0.000 1.153 298 D CA 0.000 53.962 54.000 -0.063 0.000 0.918 298 D CB 0.866 41.555 40.800 -0.186 0.000 1.181 298 D HN 0.295 nan 8.370 nan 0.000 0.435 299 K N 1.149 121.696 120.400 0.245 0.000 2.361 299 K HA 0.065 4.338 4.320 -0.078 0.000 0.194 299 K C 1.172 177.780 176.600 0.013 0.000 1.032 299 K CA 0.391 56.731 56.287 0.088 0.000 1.048 299 K CB 0.441 32.972 32.500 0.052 0.000 0.842 299 K HN 0.413 nan 8.250 nan 0.000 0.526 300 T N -0.169 114.390 114.554 0.009 0.000 3.015 300 T HA 0.176 4.479 4.350 -0.078 0.000 0.250 300 T C 0.069 174.483 174.700 -0.477 0.000 1.057 300 T CA 0.305 62.296 62.100 -0.182 0.000 1.066 300 T CB 0.093 68.881 68.868 -0.134 0.000 0.959 300 T HN -0.029 nan 8.240 nan 0.000 0.488 301 F N 3.064 122.898 119.950 -0.193 0.000 2.531 301 F HA 0.332 4.813 4.527 -0.078 0.000 0.333 301 F C -2.428 173.256 175.800 -0.194 0.000 1.292 301 F CA -2.753 55.134 58.000 -0.188 0.000 1.184 301 F CB 1.006 39.855 39.000 -0.251 0.000 1.426 301 F HN -0.134 nan 8.300 nan 0.000 0.559 302 P HA 0.080 nan 4.420 nan 0.000 0.264 302 P C 0.897 178.201 177.300 0.008 0.000 1.179 302 P CA 1.354 64.427 63.100 -0.044 0.000 0.763 302 P CB 1.200 32.901 31.700 0.001 0.000 0.806 303 G N 1.255 110.004 108.800 -0.086 0.000 2.234 303 G HA2 -0.145 3.768 3.960 -0.078 0.000 0.235 303 G HA3 -0.145 3.768 3.960 -0.078 0.000 0.235 303 G C 0.251 175.028 174.900 -0.204 0.000 0.997 303 G CA 0.083 45.237 45.100 0.090 0.000 0.623 303 G HN 0.895 nan 8.290 nan 0.000 0.514 304 A N 0.307 122.646 122.820 -0.801 0.000 2.276 304 A HA 0.771 5.044 4.320 -0.078 0.000 0.300 304 A C -0.704 176.416 177.584 -0.774 0.000 1.235 304 A CA -0.264 51.000 52.037 -1.288 0.000 0.867 304 A CB 0.242 18.209 19.000 -1.720 0.000 1.137 304 A HN 0.595 nan 8.150 nan 0.000 0.527 305 F N 4.115 123.792 119.950 -0.456 0.000 2.449 305 F HA 0.400 4.880 4.527 -0.079 0.000 0.342 305 F C 0.642 176.359 175.800 -0.139 0.000 1.127 305 F CA -1.071 56.807 58.000 -0.203 0.000 0.975 305 F CB 1.507 40.440 39.000 -0.111 0.000 1.146 305 F HN 0.539 nan 8.300 nan 0.000 0.444 306 I N 0.998 121.592 120.570 0.040 0.000 2.713 306 I HA 0.532 4.655 4.170 -0.078 0.000 0.300 306 I C 0.897 177.154 176.117 0.234 0.000 1.009 306 I CA -0.464 60.892 61.300 0.094 0.000 1.305 306 I CB 0.645 38.627 38.000 -0.030 0.000 1.430 306 I HN 0.655 nan 8.210 nan 0.000 0.546 307 A N 3.922 126.905 122.820 0.272 0.000 1.930 307 A HA 0.034 4.307 4.320 -0.078 0.000 0.217 307 A C 1.262 178.949 177.584 0.171 0.000 1.175 307 A CA 1.524 53.652 52.037 0.152 0.000 0.627 307 A CB -0.326 18.625 19.000 -0.081 0.000 0.815 307 A HN 0.976 nan 8.150 nan 0.000 0.443 308 S N -2.273 113.599 115.700 0.288 0.000 2.579 308 S HA 0.377 4.800 4.470 -0.078 0.000 0.290 308 S C -0.967 173.697 174.600 0.107 0.000 1.123 308 S CA -0.729 57.658 58.200 0.312 0.000 0.894 308 S CB 0.122 63.455 63.200 0.222 0.000 1.095 308 S HN 0.304 nan 8.310 nan 0.000 0.450 309 L N 3.792 124.964 121.223 -0.084 0.000 2.697 309 L HA 0.345 4.638 4.340 -0.078 0.000 0.239 309 L C 0.736 177.542 176.870 -0.107 0.000 1.430 309 L CA 0.326 54.891 54.840 -0.459 0.000 1.193 309 L CB -0.501 41.197 42.059 -0.602 0.000 1.516 309 L HN 0.696 nan 8.230 nan 0.000 0.439 310 T N -0.153 114.421 114.554 0.033 0.000 2.739 310 T HA 0.640 4.943 4.350 -0.078 0.000 0.303 310 T C -1.374 173.343 174.700 0.028 0.000 1.389 310 T CA -0.431 61.696 62.100 0.044 0.000 1.001 310 T CB 1.260 70.076 68.868 -0.087 0.000 1.436 310 T HN -0.014 nan 8.240 nan 0.000 0.500 311 I N 3.723 124.258 120.570 -0.058 0.000 2.521 311 I HA 0.355 4.478 4.170 -0.078 0.000 0.277 311 I C -2.307 173.718 176.117 -0.154 0.000 1.054 311 I CA -1.931 59.324 61.300 -0.074 0.000 1.117 311 I CB 1.997 39.974 38.000 -0.038 0.000 1.217 311 I HN 0.329 nan 8.210 nan 0.000 0.469 312 P HA -0.127 nan 4.420 nan 0.000 0.262 312 P C -0.269 176.928 177.300 -0.171 0.000 1.182 312 P CA 0.270 63.006 63.100 -0.605 0.000 0.761 312 P CB 0.309 31.402 31.700 -1.012 0.000 0.795 313 W N 1.641 122.931 121.300 -0.017 0.000 5.361 313 W HA -0.134 4.479 4.660 -0.078 0.000 0.385 313 W C 1.238 177.816 176.519 0.099 0.000 1.458 313 W CA 0.829 58.202 57.345 0.046 0.000 0.922 313 W CB -2.697 26.821 29.460 0.096 0.000 2.606 313 W HN 0.620 nan 8.180 nan 0.000 1.450 314 G N 0.326 109.252 108.800 0.210 0.000 2.471 314 G HA2 -0.186 3.727 3.960 -0.078 0.000 0.219 314 G HA3 -0.186 3.727 3.960 -0.078 0.000 0.219 314 G C 1.335 176.404 174.900 0.282 0.000 1.125 314 G CA 1.332 46.602 45.100 0.283 0.000 0.775 314 G HN 0.397 nan 8.290 nan 0.000 0.548 315 Q N 0.464 120.392 119.800 0.213 0.000 2.437 315 Q HA 0.301 4.594 4.340 -0.078 0.000 0.210 315 Q C 1.920 178.012 176.000 0.154 0.000 0.972 315 Q CA 1.187 57.089 55.803 0.165 0.000 0.903 315 Q CB -0.207 28.614 28.738 0.138 0.000 0.967 315 Q HN 0.419 nan 8.270 nan 0.000 0.486 316 A N -0.271 122.663 122.820 0.190 0.000 2.508 316 A HA 0.676 4.949 4.320 -0.078 0.000 0.257 316 A C 0.447 178.131 177.584 0.165 0.000 1.226 316 A CA 0.026 52.153 52.037 0.149 0.000 0.947 316 A CB 0.397 19.473 19.000 0.127 0.000 1.079 316 A HN 0.208 nan 8.150 nan 0.000 0.531 317 A N 1.279 124.237 122.820 0.229 0.000 2.258 317 A HA 0.590 4.863 4.320 -0.078 0.000 0.316 317 A C 0.589 178.313 177.584 0.233 0.000 1.279 317 A CA 0.088 52.286 52.037 0.269 0.000 0.876 317 A CB 0.042 19.269 19.000 0.378 0.000 1.170 317 A HN 0.939 nan 8.150 nan 0.000 0.520 318 S N 1.884 117.674 115.700 0.150 0.000 2.568 318 S HA 0.390 4.813 4.470 -0.078 0.000 0.282 318 S C 0.795 175.427 174.600 0.053 0.000 1.338 318 S CA 0.093 58.328 58.200 0.058 0.000 1.045 318 S CB 1.291 64.519 63.200 0.046 0.000 0.873 318 S HN 1.568 nan 8.310 nan 0.000 0.516 319 A N 1.425 124.141 122.820 -0.174 0.000 2.430 319 A HA 0.349 4.622 4.320 -0.078 0.000 0.243 319 A C 1.485 178.991 177.584 -0.129 0.000 1.254 319 A CA -0.227 51.627 52.037 -0.306 0.000 0.914 319 A CB -0.407 17.887 19.000 -1.178 0.000 0.998 319 A HN 0.794 nan 8.150 nan 0.000 0.515 320 E N 0.376 120.532 120.200 -0.074 0.000 2.110 320 E HA -0.039 4.264 4.350 -0.078 0.000 0.193 320 E C 0.373 176.953 176.600 -0.034 0.000 0.988 320 E CA 1.441 57.808 56.400 -0.055 0.000 0.804 320 E CB -0.093 29.588 29.700 -0.032 0.000 0.745 320 E HN 0.435 nan 8.360 nan 0.000 0.458 321 T N 0.390 114.959 114.554 0.025 0.000 2.918 321 T HA 0.225 4.528 4.350 -0.078 0.000 0.286 321 T C -0.520 174.251 174.700 0.119 0.000 1.026 321 T CA -0.757 61.363 62.100 0.033 0.000 1.031 321 T CB 0.952 69.869 68.868 0.083 0.000 1.046 321 T HN 0.083 nan 8.240 nan 0.000 0.479 322 H N 2.306 121.486 119.070 0.184 0.000 3.140 322 H HA 0.085 4.593 4.556 -0.079 0.000 0.316 322 H C 0.520 175.986 175.328 0.230 0.000 0.986 322 H CA 0.803 56.981 56.048 0.216 0.000 1.397 322 H CB 0.402 30.261 29.762 0.161 0.000 1.377 322 H HN 0.365 nan 8.280 nan 0.000 0.585 323 R N 2.143 122.891 120.500 0.413 0.000 2.807 323 R HA 0.133 4.426 4.340 -0.078 0.000 0.276 323 R C 0.792 177.232 176.300 0.233 0.000 0.979 323 R CA -0.605 55.682 56.100 0.312 0.000 0.928 323 R CB 1.568 32.083 30.300 0.358 0.000 1.191 323 R HN 0.741 nan 8.270 nan 0.000 0.471 324 E N 1.878 122.134 120.200 0.095 0.000 2.166 324 E HA 0.099 4.402 4.350 -0.078 0.000 0.192 324 E C 0.835 177.160 176.600 -0.459 0.000 0.967 324 E CA 0.857 57.189 56.400 -0.113 0.000 0.840 324 E CB 0.063 29.750 29.700 -0.022 0.000 0.795 324 E HN 0.906 nan 8.360 nan 0.000 0.470 325 G N 0.720 109.469 108.800 -0.086 0.000 2.614 325 G HA2 -0.366 3.547 3.960 -0.078 0.000 0.303 325 G HA3 -0.366 3.547 3.960 -0.078 0.000 0.303 325 G C 0.449 175.542 174.900 0.323 0.000 1.270 325 G CA 0.701 45.814 45.100 0.021 0.000 0.988 325 G HN 0.491 nan 8.290 nan 0.000 0.551 326 Y N 1.523 121.813 120.300 -0.017 0.000 2.481 326 Y HA 0.221 4.724 4.550 -0.079 0.000 0.247 326 Y C 1.605 177.618 175.900 0.189 0.000 1.151 326 Y CA 0.241 58.449 58.100 0.179 0.000 1.238 326 Y CB 0.360 38.824 38.460 0.007 0.000 1.179 326 Y HN 0.654 nan 8.280 nan 0.000 0.524 327 H N -0.512 118.715 119.070 0.260 0.000 2.768 327 H HA 0.672 5.181 4.556 -0.078 0.000 0.219 327 H C -0.451 174.907 175.328 0.049 0.000 1.898 327 H CA -0.278 55.795 56.048 0.042 0.000 1.313 327 H CB -0.258 29.454 29.762 -0.083 0.000 1.701 327 H HN 0.145 nan 8.280 nan 0.000 0.534 328 A N 0.792 123.709 122.820 0.163 0.000 2.593 328 A HA 0.599 4.872 4.320 -0.078 0.000 0.290 328 A C -1.201 176.426 177.584 0.072 0.000 1.126 328 A CA -0.901 51.140 52.037 0.006 0.000 0.695 328 A CB 1.216 20.074 19.000 -0.237 0.000 1.290 328 A HN 0.261 nan 8.150 nan 0.000 0.414 329 V N 1.444 121.333 119.914 -0.042 0.000 2.364 329 V HA 0.275 4.348 4.120 -0.078 0.000 0.272 329 V C -0.777 175.350 176.094 0.055 0.000 1.036 329 V CA -0.163 62.164 62.300 0.046 0.000 0.880 329 V CB 0.447 32.266 31.823 -0.007 0.000 0.991 329 V HN 0.688 nan 8.190 nan 0.000 0.460 330 W N 3.365 124.663 121.300 -0.003 0.000 2.376 330 W HA 0.426 5.039 4.660 -0.079 0.000 0.312 330 W C 0.976 177.483 176.519 -0.020 0.000 1.060 330 W CA -0.561 56.778 57.345 -0.010 0.000 1.221 330 W CB 2.060 31.490 29.460 -0.050 0.000 1.281 330 W HN 0.730 nan 8.180 nan 0.000 0.456 331 A N 3.803 126.736 122.820 0.189 0.000 1.917 331 A HA -0.261 4.012 4.320 -0.078 0.000 0.219 331 A C 2.144 179.745 177.584 0.028 0.000 1.182 331 A CA 1.875 53.954 52.037 0.071 0.000 0.633 331 A CB -0.520 18.446 19.000 -0.057 0.000 0.819 331 A HN 0.705 nan 8.150 nan 0.000 0.448 332 R N -0.196 120.334 120.500 0.051 0.000 2.070 332 R HA -0.197 4.096 4.340 -0.078 0.000 0.233 332 R C 1.605 177.652 176.300 -0.421 0.000 1.137 332 R CA 2.177 58.187 56.100 -0.151 0.000 0.945 332 R CB -0.518 29.718 30.300 -0.107 0.000 0.845 332 R HN 0.472 nan 8.270 nan 0.000 0.430 333 D N 0.112 120.331 120.400 -0.302 0.000 2.144 333 D HA -0.194 4.399 4.640 -0.078 0.000 0.199 333 D C 1.856 177.997 176.300 -0.265 0.000 0.984 333 D CA 1.543 55.332 54.000 -0.351 0.000 0.834 333 D CB -0.076 40.647 40.800 -0.128 0.000 0.955 333 D HN 0.280 nan 8.370 nan 0.000 0.465 334 M N -0.686 118.835 119.600 -0.132 0.000 2.132 334 M HA -0.200 4.233 4.480 -0.078 0.000 0.263 334 M C 2.053 178.179 176.300 -0.291 0.000 1.065 334 M CA 1.314 56.520 55.300 -0.157 0.000 1.122 334 M CB -0.135 32.458 32.600 -0.011 0.000 1.365 334 M HN 0.155 nan 8.290 nan 0.000 0.411 335 Y N 1.190 121.254 120.300 -0.393 0.000 2.165 335 Y HA -0.319 4.184 4.550 -0.078 0.000 0.286 335 Y C 2.256 177.840 175.900 -0.526 0.000 1.155 335 Y CA 1.945 59.766 58.100 -0.464 0.000 1.164 335 Y CB -0.365 37.693 38.460 -0.669 0.000 0.978 335 Y HN 0.343 nan 8.280 nan 0.000 0.513 336 Q N -0.018 119.434 119.800 -0.580 0.000 2.124 336 Q HA -0.145 4.148 4.340 -0.078 0.000 0.202 336 Q C 2.465 178.186 176.000 -0.464 0.000 0.977 336 Q CA 1.621 57.067 55.803 -0.595 0.000 0.850 336 Q CB -0.535 27.770 28.738 -0.722 0.000 0.901 336 Q HN 0.491 nan 8.270 nan 0.000 0.429 337 S N 0.946 116.379 115.700 -0.445 0.000 2.345 337 S HA -0.104 4.319 4.470 -0.078 0.000 0.219 337 S C 2.174 176.458 174.600 -0.527 0.000 1.031 337 S CA 1.380 59.319 58.200 -0.435 0.000 0.984 337 S CB -0.342 62.562 63.200 -0.493 0.000 0.874 337 S HN 0.444 nan 8.310 nan 0.000 0.451 338 V N -0.080 119.446 119.914 -0.646 0.000 2.667 338 V HA -0.052 4.021 4.120 -0.078 0.000 0.252 338 V C 2.075 177.949 176.094 -0.367 0.000 1.065 338 V CA 2.158 64.151 62.300 -0.512 0.000 1.083 338 V CB -1.357 30.210 31.823 -0.428 0.000 0.692 338 V HN 0.461 nan 8.190 nan 0.000 0.468 339 T N -0.028 114.237 114.554 -0.483 0.000 2.915 339 T HA 0.058 4.361 4.350 -0.078 0.000 0.269 339 T C 1.856 176.391 174.700 -0.275 0.000 1.071 339 T CA 1.716 63.548 62.100 -0.445 0.000 1.132 339 T CB -0.347 68.054 68.868 -0.778 0.000 0.878 339 T HN 0.805 nan 8.240 nan 0.000 0.479 340 A N 0.637 123.305 122.820 -0.254 0.000 1.903 340 A HA 0.230 4.503 4.320 -0.078 0.000 0.213 340 A C 2.199 179.725 177.584 -0.097 0.000 1.185 340 A CA 0.717 52.668 52.037 -0.144 0.000 0.628 340 A CB -0.543 18.383 19.000 -0.122 0.000 0.830 340 A HN 0.530 nan 8.150 nan 0.000 0.446 341 L N -0.829 120.329 121.223 -0.109 0.000 2.141 341 L HA -0.133 4.160 4.340 -0.078 0.000 0.209 341 L C 2.409 179.264 176.870 -0.025 0.000 1.094 341 L CA 0.457 55.280 54.840 -0.027 0.000 0.763 341 L CB -0.489 41.574 42.059 0.006 0.000 0.908 341 L HN 0.282 nan 8.230 nan 0.000 0.437 342 L N 0.205 121.386 121.223 -0.071 0.000 2.046 342 L HA -0.129 4.164 4.340 -0.078 0.000 0.208 342 L C 2.740 179.590 176.870 -0.034 0.000 1.077 342 L CA 2.022 56.829 54.840 -0.054 0.000 0.747 342 L CB -1.107 40.898 42.059 -0.090 0.000 0.896 342 L HN 0.168 nan 8.230 nan 0.000 0.432 343 A N -1.066 121.730 122.820 -0.041 0.000 1.933 343 A HA -0.077 4.195 4.320 -0.078 0.000 0.218 343 A C 2.319 179.923 177.584 0.033 0.000 1.175 343 A CA 1.553 53.585 52.037 -0.008 0.000 0.628 343 A CB -0.750 18.245 19.000 -0.008 0.000 0.814 343 A HN 0.410 nan 8.150 nan 0.000 0.444 344 A N -2.083 120.761 122.820 0.040 0.000 2.167 344 A HA 0.403 4.676 4.320 -0.078 0.000 0.214 344 A C 1.729 179.331 177.584 0.030 0.000 1.151 344 A CA 1.333 53.419 52.037 0.080 0.000 0.735 344 A CB -0.662 18.367 19.000 0.048 0.000 0.802 344 A HN 1.866 nan 8.150 nan 0.000 0.467 345 G N -0.775 108.030 108.800 0.010 0.000 2.138 345 G HA2 -0.168 3.745 3.960 -0.078 0.000 0.193 345 G HA3 -0.168 3.745 3.960 -0.078 0.000 0.193 345 G C -0.215 174.685 174.900 -0.000 0.000 0.998 345 G CA 0.195 45.293 45.100 -0.003 0.000 0.668 345 G HN 0.459 nan 8.290 nan 0.000 0.516 346 D N 0.590 121.004 120.400 0.023 0.000 2.524 346 D HA 0.436 5.029 4.640 -0.078 0.000 0.222 346 D C 1.333 177.671 176.300 0.063 0.000 1.142 346 D CA -0.450 53.593 54.000 0.071 0.000 0.973 346 D CB 0.882 41.780 40.800 0.165 0.000 1.025 346 D HN 0.289 nan 8.370 nan 0.000 0.519 347 E N 2.419 122.646 120.200 0.044 0.000 2.106 347 E HA -0.175 4.128 4.350 -0.078 0.000 0.192 347 E C 1.514 178.146 176.600 0.054 0.000 0.984 347 E CA 1.152 57.573 56.400 0.035 0.000 0.806 347 E CB 0.070 29.783 29.700 0.021 0.000 0.750 347 E HN 0.601 nan 8.360 nan 0.000 0.458 348 E N -0.467 119.775 120.200 0.070 0.000 2.110 348 E HA -0.218 4.085 4.350 -0.078 0.000 0.193 348 E C 1.881 178.549 176.600 0.113 0.000 0.988 348 E CA 1.045 57.494 56.400 0.080 0.000 0.804 348 E CB -0.224 29.522 29.700 0.076 0.000 0.745 348 E HN 0.345 nan 8.360 nan 0.000 0.458 349 A N 1.123 124.029 122.820 0.144 0.000 1.902 349 A HA -0.119 4.154 4.320 -0.078 0.000 0.217 349 A C 2.382 180.085 177.584 0.199 0.000 1.181 349 A CA 1.810 53.978 52.037 0.219 0.000 0.623 349 A CB -0.735 18.436 19.000 0.285 0.000 0.818 349 A HN 0.420 nan 8.150 nan 0.000 0.443 350 A N -0.305 122.576 122.820 0.101 0.000 1.930 350 A HA 0.227 4.500 4.320 -0.078 0.000 0.217 350 A C 2.478 180.121 177.584 0.098 0.000 1.175 350 A CA 1.888 53.959 52.037 0.057 0.000 0.627 350 A CB -0.906 18.096 19.000 0.003 0.000 0.815 350 A HN 0.981 nan 8.150 nan 0.000 0.443 351 A N 0.129 123.003 122.820 0.090 0.000 1.873 351 A HA -0.154 4.119 4.320 -0.078 0.000 0.215 351 A C 2.244 179.917 177.584 0.148 0.000 1.186 351 A CA 1.456 53.544 52.037 0.085 0.000 0.616 351 A CB -0.502 18.532 19.000 0.057 0.000 0.823 351 A HN 0.538 nan 8.150 nan 0.000 0.442 352 R N -0.799 119.805 120.500 0.174 0.000 2.083 352 R HA -0.128 4.165 4.340 -0.078 0.000 0.237 352 R C 2.407 178.903 176.300 0.328 0.000 1.137 352 R CA 1.239 57.476 56.100 0.229 0.000 0.951 352 R CB -0.824 29.591 30.300 0.193 0.000 0.851 352 R HN 0.536 nan 8.270 nan 0.000 0.434 353 G N 0.855 109.852 108.800 0.327 0.000 2.491 353 G HA2 -0.296 3.617 3.960 -0.078 0.000 0.218 353 G HA3 -0.296 3.617 3.960 -0.078 0.000 0.218 353 G C 1.450 176.601 174.900 0.418 0.000 1.180 353 G CA 0.956 46.288 45.100 0.386 0.000 0.774 353 G HN 0.282 nan 8.290 nan 0.000 0.562 354 V N 0.677 120.789 119.914 0.330 0.000 2.343 354 V HA -0.162 3.911 4.120 -0.078 0.000 0.247 354 V C 2.682 179.102 176.094 0.543 0.000 1.051 354 V CA 3.041 65.589 62.300 0.413 0.000 1.036 354 V CB -0.208 31.764 31.823 0.247 0.000 0.654 354 V HN 0.506 nan 8.190 nan 0.000 0.451 355 E N -0.569 119.875 120.200 0.407 0.000 2.077 355 E HA -0.305 3.998 4.350 -0.078 0.000 0.193 355 E C 1.835 178.718 176.600 0.472 0.000 0.989 355 E CA 2.374 59.018 56.400 0.406 0.000 0.800 355 E CB -0.779 29.098 29.700 0.295 0.000 0.746 355 E HN 0.793 nan 8.360 nan 0.000 0.452 356 W N 0.549 122.060 121.300 0.352 0.000 2.358 356 W HA -0.130 4.483 4.660 -0.079 0.000 0.303 356 W C 1.795 178.531 176.519 0.362 0.000 1.208 356 W CA 1.751 59.340 57.345 0.406 0.000 1.274 356 W CB -0.328 29.315 29.460 0.306 0.000 1.138 356 W HN 0.126 nan 8.180 nan 0.000 0.515 357 L N -0.596 120.951 121.223 0.539 0.000 1.989 357 L HA -0.256 4.037 4.340 -0.078 0.000 0.211 357 L C 2.393 179.301 176.870 0.065 0.000 1.071 357 L CA 1.709 56.717 54.840 0.279 0.000 0.749 357 L CB -0.977 41.215 42.059 0.222 0.000 0.890 357 L HN -0.044 nan 8.230 nan 0.000 0.431 358 F N -1.161 118.948 119.950 0.266 0.000 2.456 358 F HA -0.105 4.375 4.527 -0.078 0.000 0.298 358 F C 2.468 178.185 175.800 -0.139 0.000 1.104 358 F CA 1.022 59.077 58.000 0.090 0.000 1.435 358 F CB -0.528 38.563 39.000 0.153 0.000 1.078 358 F HN -0.020 nan 8.300 nan 0.000 0.546 359 T N -1.728 112.814 114.554 -0.020 0.000 2.901 359 T HA -0.080 4.223 4.350 -0.078 0.000 0.252 359 T C 1.392 175.739 174.700 -0.587 0.000 1.035 359 T CA 1.229 63.155 62.100 -0.291 0.000 1.142 359 T CB -0.284 68.395 68.868 -0.316 0.000 0.869 359 T HN 0.132 nan 8.240 nan 0.000 0.442 360 Y N 0.610 120.587 120.300 -0.539 0.000 2.441 360 Y HA 0.280 4.783 4.550 -0.079 0.000 0.288 360 Y C 2.641 178.103 175.900 -0.729 0.000 1.118 360 Y CA 0.275 57.950 58.100 -0.708 0.000 1.215 360 Y CB 0.109 37.923 38.460 -1.076 0.000 1.118 360 Y HN 0.109 nan 8.280 nan 0.000 0.547 361 Q N 0.171 119.542 119.800 -0.715 0.000 2.349 361 Q HA -0.030 4.263 4.340 -0.078 0.000 0.209 361 Q C 0.626 176.301 176.000 -0.543 0.000 0.920 361 Q CA -0.040 55.469 55.803 -0.490 0.000 0.901 361 Q CB 0.433 29.000 28.738 -0.285 0.000 1.021 361 Q HN 0.338 nan 8.270 nan 0.000 0.519 362 Q N 1.404 120.736 119.800 -0.781 0.000 2.286 362 Q HA -0.067 4.226 4.340 -0.078 0.000 0.290 362 Q C -0.716 174.850 176.000 -0.723 0.000 1.049 362 Q CA 0.117 55.194 55.803 -1.210 0.000 0.923 362 Q CB 0.641 28.686 28.738 -1.155 0.000 1.183 362 Q HN 0.090 nan 8.270 nan 0.000 0.383 363 Q N 4.456 123.814 119.800 -0.737 0.000 2.260 363 Q HA 0.156 4.449 4.340 -0.078 0.000 0.242 363 Q C -1.614 174.189 176.000 -0.328 0.000 0.932 363 Q CA -1.904 53.616 55.803 -0.471 0.000 0.891 363 Q CB 0.687 29.131 28.738 -0.490 0.000 1.222 363 Q HN 0.592 nan 8.270 nan 0.000 0.453 364 P HA -0.208 nan 4.420 nan 0.000 0.218 364 P C 0.394 177.634 177.300 -0.101 0.000 1.146 364 P CA 1.547 64.562 63.100 -0.143 0.000 0.813 364 P CB 0.218 31.858 31.700 -0.099 0.000 0.778 365 D N -1.699 118.661 120.400 -0.067 0.000 2.349 365 D HA 0.066 4.659 4.640 -0.078 0.000 0.224 365 D C 1.544 177.846 176.300 0.002 0.000 1.029 365 D CA 0.862 54.873 54.000 0.017 0.000 0.879 365 D CB -0.694 40.175 40.800 0.114 0.000 0.906 365 D HN 0.306 nan 8.370 nan 0.000 0.528 366 G N 0.123 108.834 108.800 -0.149 0.000 2.254 366 G HA2 -0.252 3.661 3.960 -0.078 0.000 0.225 366 G HA3 -0.252 3.661 3.960 -0.078 0.000 0.225 366 G C 0.338 175.027 174.900 -0.351 0.000 1.003 366 G CA 0.173 45.165 45.100 -0.179 0.000 0.622 366 G HN 0.801 nan 8.290 nan 0.000 0.507 367 H N 0.253 118.887 119.070 -0.726 0.000 2.509 367 H HA 0.710 5.219 4.556 -0.078 0.000 0.359 367 H C -0.917 174.039 175.328 -0.620 0.000 1.253 367 H CA -0.879 54.696 56.048 -0.788 0.000 1.373 367 H CB 0.778 29.631 29.762 -1.515 0.000 1.555 367 H HN 0.035 nan 8.280 nan 0.000 0.586 368 F N 1.802 121.408 119.950 -0.574 0.000 2.420 368 F HA 0.303 4.783 4.527 -0.078 0.000 0.342 368 F C -1.781 173.748 175.800 -0.451 0.000 1.113 368 F CA -2.318 55.373 58.000 -0.515 0.000 1.059 368 F CB 1.428 40.255 39.000 -0.287 0.000 1.128 368 F HN 0.411 nan 8.300 nan 0.000 0.475 369 P HA -0.048 nan 4.420 nan 0.000 0.270 369 P C 0.159 177.436 177.300 -0.039 0.000 1.223 369 P CA -0.085 62.924 63.100 -0.152 0.000 0.785 369 P CB 0.942 32.533 31.700 -0.181 0.000 0.923 370 Q N 0.258 120.043 119.800 -0.025 0.000 2.061 370 Q HA -0.103 4.190 4.340 -0.078 0.000 0.204 370 Q C 0.293 176.156 176.000 -0.228 0.000 0.984 370 Q CA 1.530 57.309 55.803 -0.041 0.000 0.846 370 Q CB 0.057 28.785 28.738 -0.017 0.000 0.902 370 Q HN 0.546 nan 8.270 nan 0.000 0.421 371 T N -1.200 113.169 114.554 -0.309 0.000 2.821 371 T HA 0.501 4.804 4.350 -0.078 0.000 0.306 371 T C -1.759 172.772 174.700 -0.282 0.000 1.313 371 T CA -0.127 61.662 62.100 -0.518 0.000 1.012 371 T CB 1.868 70.182 68.868 -0.924 0.000 1.298 371 T HN 0.402 nan 8.240 nan 0.000 0.502 372 S N 1.288 116.849 115.700 -0.232 0.000 2.643 372 S HA 0.691 5.114 4.470 -0.078 0.000 0.270 372 S C -0.899 173.654 174.600 -0.078 0.000 1.166 372 S CA -0.980 57.155 58.200 -0.107 0.000 0.815 372 S CB 1.727 64.918 63.200 -0.014 0.000 1.139 372 S HN 0.871 nan 8.310 nan 0.000 0.472 373 R N -0.193 120.274 120.500 -0.055 0.000 2.580 373 R HA 0.499 4.792 4.340 -0.078 0.000 0.267 373 R C 1.547 177.810 176.300 -0.062 0.000 1.125 373 R CA 0.041 56.105 56.100 -0.062 0.000 1.188 373 R CB 0.695 30.955 30.300 -0.068 0.000 1.155 373 R HN 0.841 nan 8.270 nan 0.000 0.586 374 V N -0.960 118.853 119.914 -0.167 0.000 3.078 374 V HA -0.076 3.997 4.120 -0.078 0.000 0.265 374 V C 0.886 176.644 176.094 -0.562 0.000 1.122 374 V CA 1.700 63.825 62.300 -0.291 0.000 1.141 374 V CB -0.697 30.911 31.823 -0.358 0.000 0.735 374 V HN 0.882 nan 8.190 nan 0.000 0.498 375 D N -0.105 119.870 120.400 -0.709 0.000 2.342 375 D HA 0.301 4.894 4.640 -0.078 0.000 0.221 375 D C 1.587 177.633 176.300 -0.423 0.000 1.101 375 D CA 0.427 53.727 54.000 -1.167 0.000 0.837 375 D CB 0.233 40.569 40.800 -0.774 0.000 0.938 375 D HN 0.708 nan 8.370 nan 0.000 0.508 376 G N -0.213 108.495 108.800 -0.152 0.000 2.225 376 G HA2 -0.280 3.633 3.960 -0.078 0.000 0.254 376 G HA3 -0.280 3.633 3.960 -0.078 0.000 0.254 376 G C 0.483 175.317 174.900 -0.109 0.000 0.988 376 G CA 0.247 45.268 45.100 -0.132 0.000 0.625 376 G HN 0.434 nan 8.290 nan 0.000 0.527 377 T N 1.768 116.264 114.554 -0.096 0.000 2.829 377 T HA 0.333 4.636 4.350 -0.078 0.000 0.293 377 T C 0.951 175.604 174.700 -0.079 0.000 0.970 377 T CA 0.255 62.309 62.100 -0.076 0.000 1.168 377 T CB 0.981 69.814 68.868 -0.059 0.000 0.911 377 T HN 0.539 nan 8.240 nan 0.000 0.535 378 I N 3.410 123.929 120.570 -0.086 0.000 2.752 378 I HA 0.183 4.306 4.170 -0.078 0.000 0.289 378 I C 1.166 177.234 176.117 -0.082 0.000 1.197 378 I CA 0.502 61.746 61.300 -0.092 0.000 1.432 378 I CB 0.348 38.296 38.000 -0.087 0.000 1.359 378 I HN 0.743 nan 8.210 nan 0.000 0.571 379 G N 5.980 114.714 108.800 -0.109 0.000 2.543 379 G HA2 0.151 4.064 3.960 -0.078 0.000 0.221 379 G HA3 0.151 4.064 3.960 -0.078 0.000 0.221 379 G C -0.153 174.694 174.900 -0.087 0.000 1.902 379 G CA -0.229 44.806 45.100 -0.109 0.000 0.838 379 G HN 0.633 nan 8.290 nan 0.000 0.650 380 Q N 0.338 120.062 119.800 -0.125 0.000 2.299 380 Q HA 0.301 4.594 4.340 -0.078 0.000 0.246 380 Q C -0.547 175.425 176.000 -0.046 0.000 0.935 380 Q CA -0.309 55.455 55.803 -0.066 0.000 0.887 380 Q CB 1.274 29.971 28.738 -0.068 0.000 1.223 380 Q HN 0.375 nan 8.270 nan 0.000 0.439 381 N N 0.261 118.959 118.700 -0.003 0.000 2.328 381 N HA 0.159 4.852 4.740 -0.078 0.000 0.247 381 N C -0.556 174.979 175.510 0.042 0.000 1.165 381 N CA -0.134 52.927 53.050 0.018 0.000 0.873 381 N CB 0.557 39.055 38.487 0.019 0.000 1.125 381 N HN 0.657 nan 8.380 nan 0.000 0.513 382 G N 0.076 108.901 108.800 0.043 0.000 2.606 382 G HA2 0.332 4.245 3.960 -0.078 0.000 0.252 382 G HA3 0.332 4.245 3.960 -0.078 0.000 0.252 382 G C -0.182 174.757 174.900 0.064 0.000 1.206 382 G CA -0.354 44.776 45.100 0.050 0.000 0.861 382 G HN 0.205 nan 8.290 nan 0.000 0.561 383 I N 0.894 121.491 120.570 0.044 0.000 2.330 383 I HA 0.231 4.354 4.170 -0.078 0.000 0.286 383 I C -0.044 176.101 176.117 0.046 0.000 1.025 383 I CA -0.148 61.184 61.300 0.053 0.000 1.197 383 I CB 0.847 38.849 38.000 0.004 0.000 1.358 383 I HN 0.438 nan 8.210 nan 0.000 0.467 384 Q N 5.593 125.436 119.800 0.072 0.000 2.394 384 Q HA 0.396 4.689 4.340 -0.078 0.000 0.259 384 Q C 0.956 176.970 176.000 0.023 0.000 1.021 384 Q CA -0.420 55.401 55.803 0.030 0.000 0.805 384 Q CB 2.327 31.095 28.738 0.050 0.000 1.226 384 Q HN 0.601 nan 8.270 nan 0.000 0.476 385 L N 1.786 123.000 121.223 -0.014 0.000 2.265 385 L HA -0.215 4.078 4.340 -0.078 0.000 0.215 385 L C 1.863 178.665 176.870 -0.112 0.000 1.117 385 L CA 1.026 55.861 54.840 -0.008 0.000 0.782 385 L CB -0.341 41.694 42.059 -0.040 0.000 0.914 385 L HN 0.723 nan 8.230 nan 0.000 0.441 386 D N -0.019 120.253 120.400 -0.213 0.000 2.269 386 D HA -0.200 4.393 4.640 -0.078 0.000 0.208 386 D C 1.458 177.525 176.300 -0.388 0.000 0.963 386 D CA 0.856 54.572 54.000 -0.472 0.000 0.864 386 D CB -0.131 40.348 40.800 -0.534 0.000 0.936 386 D HN 0.431 nan 8.370 nan 0.000 0.505 387 E N -0.266 119.865 120.200 -0.115 0.000 2.427 387 E HA -0.014 4.289 4.350 -0.078 0.000 0.196 387 E C 1.163 177.693 176.600 -0.117 0.000 1.028 387 E CA 0.573 56.954 56.400 -0.032 0.000 0.864 387 E CB 0.220 29.956 29.700 0.060 0.000 0.813 387 E HN 0.288 nan 8.360 nan 0.000 0.514 388 T N 0.159 114.685 114.554 -0.047 0.000 3.039 388 T HA 0.118 4.421 4.350 -0.078 0.000 0.250 388 T C 1.861 176.533 174.700 -0.046 0.000 1.052 388 T CA 0.632 62.772 62.100 0.067 0.000 1.125 388 T CB 0.272 69.269 68.868 0.215 0.000 0.908 388 T HN 0.165 nan 8.240 nan 0.000 0.473 389 A N 0.796 123.526 122.820 -0.151 0.000 1.930 389 A HA 0.127 4.400 4.320 -0.078 0.000 0.215 389 A C 1.769 179.233 177.584 -0.201 0.000 1.176 389 A CA 0.978 52.900 52.037 -0.191 0.000 0.632 389 A CB -0.780 18.030 19.000 -0.317 0.000 0.819 389 A HN 0.394 nan 8.150 nan 0.000 0.445 390 F N 0.730 120.521 119.950 -0.266 0.000 2.134 390 F HA -0.050 4.430 4.527 -0.078 0.000 0.299 390 F C -0.251 175.472 175.800 -0.127 0.000 1.097 390 F CA 1.340 59.125 58.000 -0.358 0.000 1.264 390 F CB -1.411 37.246 39.000 -0.571 0.000 1.001 390 F HN 0.242 nan 8.300 nan 0.000 0.479 391 P HA -0.129 nan 4.420 nan 0.000 0.219 391 P C 2.027 179.517 177.300 0.316 0.000 1.150 391 P CA 1.506 64.577 63.100 -0.048 0.000 0.814 391 P CB -0.051 31.151 31.700 -0.829 0.000 0.787 392 I N -0.551 120.186 120.570 0.278 0.000 2.252 392 I HA -0.200 3.923 4.170 -0.078 0.000 0.245 392 I C 2.499 178.761 176.117 0.242 0.000 1.102 392 I CA 1.220 62.712 61.300 0.320 0.000 1.385 392 I CB -0.586 37.528 38.000 0.190 0.000 1.064 392 I HN -0.156 nan 8.210 nan 0.000 0.414 393 L N -0.311 121.037 121.223 0.208 0.000 2.275 393 L HA -0.198 4.095 4.340 -0.078 0.000 0.215 393 L C 2.376 179.402 176.870 0.260 0.000 1.119 393 L CA 0.565 55.542 54.840 0.228 0.000 0.790 393 L CB -0.310 41.908 42.059 0.264 0.000 0.919 393 L HN 0.265 nan 8.230 nan 0.000 0.443 394 L N -0.217 121.177 121.223 0.285 0.000 2.072 394 L HA -0.046 4.247 4.340 -0.078 0.000 0.205 394 L C 2.691 179.659 176.870 0.163 0.000 1.079 394 L CA 1.908 56.876 54.840 0.213 0.000 0.752 394 L CB -0.924 41.266 42.059 0.219 0.000 0.906 394 L HN 0.133 nan 8.230 nan 0.000 0.436 395 A N -0.738 122.212 122.820 0.217 0.000 1.930 395 A HA -0.245 4.028 4.320 -0.078 0.000 0.217 395 A C 2.146 179.778 177.584 0.080 0.000 1.175 395 A CA 1.789 53.900 52.037 0.123 0.000 0.627 395 A CB -0.834 18.290 19.000 0.206 0.000 0.815 395 A HN 0.554 nan 8.150 nan 0.000 0.443 396 N N -0.346 118.427 118.700 0.122 0.000 2.084 396 N HA -0.235 4.458 4.740 -0.078 0.000 0.190 396 N C 1.938 177.485 175.510 0.063 0.000 1.030 396 N CA 1.948 55.053 53.050 0.091 0.000 0.849 396 N CB -0.331 38.220 38.487 0.107 0.000 1.012 396 N HN 0.620 nan 8.380 nan 0.000 0.423 397 Q N -0.668 119.176 119.800 0.074 0.000 2.084 397 Q HA -0.093 4.200 4.340 -0.078 0.000 0.202 397 Q C 1.420 177.430 176.000 0.018 0.000 0.978 397 Q CA 1.288 57.118 55.803 0.046 0.000 0.844 397 Q CB -0.062 28.702 28.738 0.044 0.000 0.898 397 Q HN 0.407 nan 8.270 nan 0.000 0.426 398 I N -0.207 120.370 120.570 0.012 0.000 3.251 398 I HA 0.082 4.205 4.170 -0.078 0.000 0.277 398 I C 1.240 177.338 176.117 -0.031 0.000 1.268 398 I CA 1.230 62.523 61.300 -0.011 0.000 1.449 398 I CB 0.059 38.051 38.000 -0.013 0.000 1.083 398 I HN 0.472 nan 8.210 nan 0.000 0.464 399 G N 0.824 109.607 108.800 -0.027 0.000 2.148 399 G HA2 -0.359 3.554 3.960 -0.078 0.000 0.254 399 G HA3 -0.359 3.554 3.960 -0.078 0.000 0.254 399 G C 0.769 175.617 174.900 -0.087 0.000 0.981 399 G CA 0.262 45.339 45.100 -0.039 0.000 0.670 399 G HN 0.304 nan 8.290 nan 0.000 0.528 400 R N 1.476 121.880 120.500 -0.159 0.000 2.853 400 R HA 0.444 4.737 4.340 -0.078 0.000 0.238 400 R C 1.463 177.586 176.300 -0.295 0.000 1.538 400 R CA 0.832 56.713 56.100 -0.365 0.000 1.166 400 R CB -0.703 29.202 30.300 -0.660 0.000 1.201 400 R HN 0.448 nan 8.270 nan 0.000 0.606 401 T N -1.322 113.171 114.554 -0.101 0.000 3.231 401 T HA 0.122 4.425 4.350 -0.078 0.000 0.292 401 T C -0.183 174.574 174.700 0.094 0.000 1.001 401 T CA -0.416 61.716 62.100 0.054 0.000 0.920 401 T CB -0.537 68.348 68.868 0.028 0.000 1.140 401 T HN 0.545 nan 8.240 nan 0.000 0.525 402 D N 1.456 121.900 120.400 0.073 0.000 2.443 402 D HA 0.457 5.050 4.640 -0.078 0.000 0.239 402 D C 1.665 178.069 176.300 0.173 0.000 1.136 402 D CA -0.007 54.049 54.000 0.093 0.000 0.879 402 D CB 0.899 41.737 40.800 0.063 0.000 1.195 402 D HN 0.103 nan 8.370 nan 0.000 0.443 403 A N 3.190 126.086 122.820 0.126 0.000 1.929 403 A HA -0.227 4.045 4.320 -0.078 0.000 0.221 403 A C 2.195 179.888 177.584 0.181 0.000 1.211 403 A CA 2.323 54.456 52.037 0.159 0.000 0.657 403 A CB -1.689 17.367 19.000 0.093 0.000 0.827 403 A HN 0.777 nan 8.150 nan 0.000 0.462 404 G N -1.819 107.059 108.800 0.131 0.000 2.421 404 G HA2 -0.218 3.695 3.960 -0.078 0.000 0.216 404 G HA3 -0.218 3.695 3.960 -0.078 0.000 0.216 404 G C 1.487 176.443 174.900 0.094 0.000 1.171 404 G CA 1.131 46.288 45.100 0.094 0.000 0.775 404 G HN 0.562 nan 8.290 nan 0.000 0.543 405 F N 0.214 120.162 119.950 -0.003 0.000 2.216 405 F HA -0.043 4.437 4.527 -0.078 0.000 0.300 405 F C 2.264 178.025 175.800 -0.065 0.000 1.085 405 F CA 1.344 59.309 58.000 -0.058 0.000 1.326 405 F CB -0.153 38.805 39.000 -0.069 0.000 1.027 405 F HN 0.231 nan 8.300 nan 0.000 0.497 406 Y N 1.171 121.499 120.300 0.046 0.000 2.133 406 Y HA -0.141 4.362 4.550 -0.078 0.000 0.287 406 Y C 2.450 178.295 175.900 -0.092 0.000 1.134 406 Y CA 1.681 59.767 58.100 -0.023 0.000 1.133 406 Y CB -0.546 37.945 38.460 0.051 0.000 0.987 406 Y HN -0.183 nan 8.280 nan 0.000 0.502 407 R N 0.667 120.970 120.500 -0.329 0.000 2.081 407 R HA -0.124 4.169 4.340 -0.078 0.000 0.235 407 R C 1.687 177.793 176.300 -0.323 0.000 1.131 407 R CA 1.918 57.785 56.100 -0.387 0.000 0.960 407 R CB -1.232 29.003 30.300 -0.108 0.000 0.856 407 R HN 0.604 nan 8.270 nan 0.000 0.436 408 N N -0.309 118.234 118.700 -0.261 0.000 2.392 408 N HA -0.041 4.652 4.740 -0.078 0.000 0.177 408 N C 1.045 176.372 175.510 -0.305 0.000 1.066 408 N CA 0.245 53.156 53.050 -0.231 0.000 0.895 408 N CB 0.375 38.768 38.487 -0.157 0.000 0.988 408 N HN 0.079 nan 8.380 nan 0.000 0.457 409 E N 0.157 120.049 120.200 -0.512 0.000 2.476 409 E HA 0.188 4.491 4.350 -0.078 0.000 0.193 409 E C 1.491 177.747 176.600 -0.572 0.000 0.966 409 E CA -0.182 55.816 56.400 -0.670 0.000 1.114 409 E CB -0.265 28.512 29.700 -1.537 0.000 1.151 409 E HN -0.058 nan 8.360 nan 0.000 0.487 410 L N 1.683 122.455 121.223 -0.751 0.000 1.976 410 L HA -0.113 4.180 4.340 -0.078 0.000 0.209 410 L C 2.191 178.958 176.870 -0.172 0.000 1.071 410 L CA 2.011 56.652 54.840 -0.333 0.000 0.746 410 L CB -0.721 41.273 42.059 -0.108 0.000 0.890 410 L HN 0.157 nan 8.230 nan 0.000 0.432 411 K N 0.013 120.202 120.400 -0.353 0.000 2.044 411 K HA -0.157 4.116 4.320 -0.078 0.000 0.210 411 K C -0.505 176.056 176.600 -0.065 0.000 1.049 411 K CA 2.030 58.181 56.287 -0.226 0.000 0.927 411 K CB -0.895 31.310 32.500 -0.491 0.000 0.713 411 K HN 0.257 nan 8.250 nan 0.000 0.443 412 P HA -0.162 nan 4.420 nan 0.000 0.216 412 P C 0.919 178.255 177.300 0.060 0.000 1.150 412 P CA 1.896 64.985 63.100 -0.019 0.000 0.837 412 P CB -0.059 31.600 31.700 -0.068 0.000 0.786 413 A N 0.457 123.327 122.820 0.083 0.000 1.897 413 A HA 0.019 4.292 4.320 -0.078 0.000 0.215 413 A C 2.473 180.144 177.584 0.146 0.000 1.181 413 A CA 1.965 54.107 52.037 0.175 0.000 0.620 413 A CB -1.468 17.752 19.000 0.368 0.000 0.821 413 A HN 0.206 nan 8.150 nan 0.000 0.443 414 A N -0.021 122.810 122.820 0.019 0.000 1.930 414 A HA -0.145 4.128 4.320 -0.078 0.000 0.217 414 A C 1.744 179.309 177.584 -0.032 0.000 1.175 414 A CA 1.823 53.752 52.037 -0.180 0.000 0.627 414 A CB -0.558 18.036 19.000 -0.677 0.000 0.815 414 A HN 0.424 nan 8.150 nan 0.000 0.443 415 D N -1.638 118.832 120.400 0.117 0.000 2.144 415 D HA -0.160 4.433 4.640 -0.078 0.000 0.199 415 D C 1.609 177.998 176.300 0.147 0.000 0.984 415 D CA 1.368 55.476 54.000 0.181 0.000 0.834 415 D CB -0.403 40.484 40.800 0.145 0.000 0.955 415 D HN 0.601 nan 8.370 nan 0.000 0.465 416 Y N 0.870 121.200 120.300 0.049 0.000 2.145 416 Y HA -0.216 4.287 4.550 -0.079 0.000 0.286 416 Y C 2.066 178.003 175.900 0.061 0.000 1.145 416 Y CA 1.105 59.232 58.100 0.046 0.000 1.148 416 Y CB -0.318 38.178 38.460 0.061 0.000 0.981 416 Y HN -0.114 nan 8.280 nan 0.000 0.507 417 L N -0.670 120.675 121.223 0.205 0.000 2.013 417 L HA -0.233 4.060 4.340 -0.078 0.000 0.212 417 L C 2.521 179.499 176.870 0.181 0.000 1.073 417 L CA 1.479 56.423 54.840 0.173 0.000 0.753 417 L CB -1.366 40.793 42.059 0.167 0.000 0.890 417 L HN 0.169 nan 8.230 nan 0.000 0.432 418 V N -0.572 119.418 119.914 0.126 0.000 2.343 418 V HA -0.287 3.786 4.120 -0.078 0.000 0.247 418 V C 2.655 178.809 176.094 0.100 0.000 1.051 418 V CA 1.587 63.965 62.300 0.129 0.000 1.036 418 V CB -1.067 30.832 31.823 0.127 0.000 0.654 418 V HN 0.517 nan 8.190 nan 0.000 0.451 419 A N -0.132 122.685 122.820 -0.005 0.000 1.930 419 A HA -0.025 4.247 4.320 -0.078 0.000 0.217 419 A C 2.367 179.856 177.584 -0.158 0.000 1.175 419 A CA 1.736 53.719 52.037 -0.090 0.000 0.627 419 A CB -0.665 18.240 19.000 -0.159 0.000 0.815 419 A HN 0.565 nan 8.150 nan 0.000 0.443 420 A N -1.165 121.504 122.820 -0.252 0.000 2.067 420 A HA 0.399 4.671 4.320 -0.078 0.000 0.219 420 A C 1.656 179.146 177.584 -0.157 0.000 1.158 420 A CA 1.529 53.400 52.037 -0.277 0.000 0.661 420 A CB -1.226 17.576 19.000 -0.330 0.000 0.801 420 A HN 2.171 nan 8.150 nan 0.000 0.452 421 G N -1.481 107.319 108.800 0.001 0.000 2.829 421 G HA2 -0.151 3.762 3.960 -0.078 0.000 0.628 421 G HA3 -0.151 3.762 3.960 -0.078 0.000 0.628 421 G C -1.222 173.419 174.900 -0.432 0.000 1.412 421 G CA -0.168 44.919 45.100 -0.021 0.000 0.864 421 G HN 0.216 nan 8.290 nan 0.000 0.544 422 P HA -0.001 nan 4.420 nan 0.000 0.226 422 P C 0.524 177.246 177.300 -0.963 0.000 1.153 422 P CA 1.066 63.298 63.100 -1.446 0.000 0.777 422 P CB 0.105 30.872 31.700 -1.555 0.000 0.794 423 K N 0.250 120.127 120.400 -0.871 0.000 2.258 423 K HA 0.322 4.595 4.320 -0.078 0.000 0.284 423 K C 0.313 176.633 176.600 -0.467 0.000 1.051 423 K CA -0.209 55.606 56.287 -0.786 0.000 0.923 423 K CB 0.824 32.815 32.500 -0.848 0.000 1.046 423 K HN -0.189 nan 8.250 nan 0.000 0.474 424 T N 3.461 117.793 114.554 -0.370 0.000 2.799 424 T HA 0.222 4.525 4.350 -0.078 0.000 0.286 424 T C -1.581 173.004 174.700 -0.193 0.000 0.973 424 T CA -2.455 59.502 62.100 -0.237 0.000 1.035 424 T CB 0.865 69.616 68.868 -0.194 0.000 0.932 424 T HN 0.355 nan 8.240 nan 0.000 0.469 425 P HA -0.014 nan 4.420 nan 0.000 0.223 425 P C -0.009 177.242 177.300 -0.082 0.000 1.151 425 P CA 0.864 63.896 63.100 -0.113 0.000 0.787 425 P CB 0.445 32.095 31.700 -0.085 0.000 0.788 426 Q N -0.324 119.435 119.800 -0.068 0.000 2.289 426 Q HA 0.202 4.495 4.340 -0.078 0.000 0.270 426 Q C -0.538 175.423 176.000 -0.065 0.000 1.038 426 Q CA -0.725 55.054 55.803 -0.040 0.000 0.812 426 Q CB 2.278 31.020 28.738 0.007 0.000 1.300 426 Q HN -0.022 nan 8.270 nan 0.000 0.427 427 E N 1.673 121.827 120.200 -0.077 0.000 2.561 427 E HA 0.156 4.459 4.350 -0.078 0.000 0.254 427 E C 0.710 177.212 176.600 -0.164 0.000 1.213 427 E CA -0.567 55.745 56.400 -0.148 0.000 0.995 427 E CB 0.312 29.905 29.700 -0.178 0.000 1.233 427 E HN 0.620 nan 8.360 nan 0.000 0.556 428 R N -0.507 119.794 120.500 -0.331 0.000 2.200 428 R HA -0.085 4.208 4.340 -0.078 0.000 0.234 428 R C 0.996 177.190 176.300 -0.176 0.000 1.127 428 R CA 1.499 57.390 56.100 -0.348 0.000 0.989 428 R CB -0.475 29.484 30.300 -0.569 0.000 0.869 428 R HN 0.646 nan 8.270 nan 0.000 0.459 429 W N 1.556 122.864 121.300 0.015 0.000 3.345 429 W HA 0.184 4.797 4.660 -0.079 0.000 0.282 429 W C -0.280 176.240 176.519 0.001 0.000 1.302 429 W CA -0.596 56.744 57.345 -0.009 0.000 1.724 429 W CB 0.242 29.710 29.460 0.015 0.000 1.104 429 W HN 0.170 nan 8.180 nan 0.000 0.694 430 E N -0.015 120.298 120.200 0.188 0.000 2.476 430 E HA -0.282 4.021 4.350 -0.078 0.000 0.251 430 E C 0.331 177.011 176.600 0.133 0.000 1.130 430 E CA 1.032 57.521 56.400 0.149 0.000 0.736 430 E CB -1.565 28.249 29.700 0.190 0.000 1.298 430 E HN 0.618 nan 8.360 nan 0.000 0.400 431 E N -0.822 119.455 120.200 0.130 0.000 2.399 431 E HA 0.064 4.367 4.350 -0.078 0.000 0.206 431 E C 0.717 177.352 176.600 0.057 0.000 0.812 431 E CA 1.093 57.565 56.400 0.120 0.000 1.138 431 E CB 0.862 30.672 29.700 0.183 0.000 1.140 431 E HN 0.346 nan 8.360 nan 0.000 0.536 432 T N -1.657 112.911 114.554 0.022 0.000 2.787 432 T HA 0.706 5.009 4.350 -0.078 0.000 0.297 432 T C 0.039 174.698 174.700 -0.067 0.000 1.221 432 T CA -0.628 61.442 62.100 -0.050 0.000 1.006 432 T CB 1.917 70.711 68.868 -0.123 0.000 1.328 432 T HN 0.082 nan 8.240 nan 0.000 0.509 433 G N -2.086 106.649 108.800 -0.107 0.000 3.042 433 G HA2 0.883 4.795 3.960 -0.078 0.000 0.278 433 G HA3 0.883 4.795 3.960 -0.078 0.000 0.278 433 G C 0.055 174.863 174.900 -0.154 0.000 1.371 433 G CA -0.348 44.673 45.100 -0.131 0.000 1.009 433 G HN 1.829 nan 8.290 nan 0.000 0.523 434 G N -1.859 106.805 108.800 -0.227 0.000 2.306 434 G HA2 0.146 4.059 3.960 -0.078 0.000 0.262 434 G HA3 0.146 4.059 3.960 -0.078 0.000 0.262 434 G C -1.235 173.445 174.900 -0.367 0.000 1.263 434 G CA -0.783 44.140 45.100 -0.295 0.000 1.088 434 G HN 0.838 nan 8.290 nan 0.000 0.489 435 Y N 1.332 121.502 120.300 -0.217 0.000 2.531 435 Y HA 0.530 5.033 4.550 -0.078 0.000 0.347 435 Y C 1.136 176.994 175.900 -0.070 0.000 1.024 435 Y CA 0.646 58.621 58.100 -0.209 0.000 1.306 435 Y CB 1.272 39.595 38.460 -0.229 0.000 1.149 435 Y HN 0.580 nan 8.280 nan 0.000 0.527 436 S N 1.801 117.504 115.700 0.005 0.000 2.451 436 S HA 0.197 4.620 4.470 -0.078 0.000 0.301 436 S C 1.195 175.793 174.600 -0.005 0.000 1.116 436 S CA -0.222 57.971 58.200 -0.012 0.000 1.093 436 S CB 0.740 63.871 63.200 -0.114 0.000 1.017 436 S HN 0.825 nan 8.310 nan 0.000 0.482 437 T N 2.512 117.062 114.554 -0.008 0.000 2.674 437 T HA -0.130 4.173 4.350 -0.078 0.000 0.265 437 T C 2.019 176.427 174.700 -0.487 0.000 1.039 437 T CA 1.830 63.835 62.100 -0.157 0.000 1.150 437 T CB -1.007 67.764 68.868 -0.163 0.000 0.864 437 T HN 0.551 nan 8.240 nan 0.000 0.427 438 S N 0.963 116.433 115.700 -0.383 0.000 2.353 438 S HA -0.153 4.270 4.470 -0.078 0.000 0.222 438 S C 2.267 176.661 174.600 -0.345 0.000 1.035 438 S CA 2.070 60.027 58.200 -0.405 0.000 1.025 438 S CB -1.202 61.768 63.200 -0.383 0.000 0.902 438 S HN 0.710 nan 8.310 nan 0.000 0.440 439 T N 2.229 116.614 114.554 -0.282 0.000 2.857 439 T HA 0.060 4.363 4.350 -0.078 0.000 0.266 439 T C 1.643 176.225 174.700 -0.197 0.000 1.048 439 T CA 0.926 62.865 62.100 -0.267 0.000 1.139 439 T CB -0.349 68.379 68.868 -0.233 0.000 0.874 439 T HN 0.196 nan 8.240 nan 0.000 0.455 440 L N 1.513 122.670 121.223 -0.110 0.000 2.191 440 L HA 0.155 4.448 4.340 -0.078 0.000 0.212 440 L C 2.557 179.496 176.870 0.115 0.000 1.103 440 L CA 1.199 56.057 54.840 0.031 0.000 0.769 440 L CB -1.166 40.989 42.059 0.160 0.000 0.908 440 L HN 0.230 nan 8.230 nan 0.000 0.438 441 A N -1.177 121.643 122.820 0.001 0.000 1.902 441 A HA -0.205 4.068 4.320 -0.078 0.000 0.217 441 A C 2.484 180.057 177.584 -0.017 0.000 1.181 441 A CA 1.954 54.019 52.037 0.046 0.000 0.623 441 A CB -0.884 17.947 19.000 -0.282 0.000 0.818 441 A HN 0.592 nan 8.150 nan 0.000 0.443 442 S N -0.718 114.873 115.700 -0.181 0.000 2.406 442 S HA -0.176 4.247 4.470 -0.078 0.000 0.228 442 S C 1.929 176.424 174.600 -0.175 0.000 1.020 442 S CA 1.216 59.228 58.200 -0.312 0.000 0.965 442 S CB -0.421 62.294 63.200 -0.809 0.000 0.798 442 S HN 0.662 nan 8.310 nan 0.000 0.488 443 Q N 0.856 120.619 119.800 -0.061 0.000 2.046 443 Q HA 0.088 4.381 4.340 -0.078 0.000 0.200 443 Q C 2.225 178.347 176.000 0.203 0.000 0.975 443 Q CA 1.733 57.601 55.803 0.110 0.000 0.836 443 Q CB -0.426 28.451 28.738 0.232 0.000 0.896 443 Q HN 0.603 nan 8.270 nan 0.000 0.428 444 I N 0.566 121.277 120.570 0.236 0.000 2.179 444 I HA -0.286 3.837 4.170 -0.078 0.000 0.242 444 I C 2.419 178.620 176.117 0.140 0.000 1.088 444 I CA 1.062 62.477 61.300 0.192 0.000 1.357 444 I CB -0.429 37.649 38.000 0.130 0.000 1.051 444 I HN 0.170 nan 8.210 nan 0.000 0.409 445 A N 0.712 123.604 122.820 0.120 0.000 1.902 445 A HA -0.128 4.145 4.320 -0.078 0.000 0.217 445 A C 2.543 180.184 177.584 0.095 0.000 1.181 445 A CA 1.804 53.922 52.037 0.135 0.000 0.623 445 A CB -0.833 18.235 19.000 0.113 0.000 0.818 445 A HN 0.431 nan 8.150 nan 0.000 0.443 446 A N -0.311 122.534 122.820 0.042 0.000 1.902 446 A HA -0.021 4.252 4.320 -0.078 0.000 0.217 446 A C 2.160 179.742 177.584 -0.004 0.000 1.181 446 A CA 1.490 53.538 52.037 0.018 0.000 0.623 446 A CB -0.551 18.435 19.000 -0.023 0.000 0.818 446 A HN 0.464 nan 8.150 nan 0.000 0.443 447 L N -1.039 120.177 121.223 -0.013 0.000 2.156 447 L HA -0.111 4.182 4.340 -0.078 0.000 0.208 447 L C 3.060 179.941 176.870 0.017 0.000 1.095 447 L CA 0.816 55.608 54.840 -0.081 0.000 0.770 447 L CB -0.514 41.477 42.059 -0.113 0.000 0.914 447 L HN 0.449 nan 8.230 nan 0.000 0.439 448 A N 0.234 123.108 122.820 0.090 0.000 1.902 448 A HA -0.150 4.123 4.320 -0.078 0.000 0.217 448 A C 2.533 180.166 177.584 0.082 0.000 1.181 448 A CA 1.683 53.796 52.037 0.127 0.000 0.623 448 A CB -0.590 18.559 19.000 0.249 0.000 0.818 448 A HN 0.382 nan 8.150 nan 0.000 0.443 449 A N -0.102 122.765 122.820 0.079 0.000 1.873 449 A HA 0.184 4.457 4.320 -0.078 0.000 0.215 449 A C 2.504 180.131 177.584 0.071 0.000 1.186 449 A CA 2.016 54.095 52.037 0.070 0.000 0.616 449 A CB -1.060 17.989 19.000 0.082 0.000 0.823 449 A HN 1.091 nan 8.150 nan 0.000 0.442 450 A N -0.150 122.696 122.820 0.043 0.000 1.978 450 A HA 0.134 4.407 4.320 -0.078 0.000 0.220 450 A C 2.448 180.176 177.584 0.241 0.000 1.170 450 A CA 2.069 54.138 52.037 0.053 0.000 0.636 450 A CB -0.903 17.922 19.000 -0.291 0.000 0.810 450 A HN 1.029 nan 8.150 nan 0.000 0.448 451 A N 0.191 123.149 122.820 0.230 0.000 1.877 451 A HA -0.184 4.089 4.320 -0.078 0.000 0.216 451 A C 1.775 179.405 177.584 0.077 0.000 1.186 451 A CA 1.836 54.008 52.037 0.225 0.000 0.620 451 A CB -0.564 18.515 19.000 0.133 0.000 0.822 451 A HN 0.456 nan 8.150 nan 0.000 0.443 452 D N -0.015 120.410 120.400 0.042 0.000 2.144 452 D HA -0.092 4.501 4.640 -0.078 0.000 0.199 452 D C 1.855 178.136 176.300 -0.031 0.000 0.984 452 D CA 1.047 55.043 54.000 -0.006 0.000 0.834 452 D CB -0.317 40.481 40.800 -0.004 0.000 0.955 452 D HN 0.538 nan 8.370 nan 0.000 0.465 453 I N 1.029 121.599 120.570 -0.001 0.000 2.252 453 I HA -0.202 3.921 4.170 -0.078 0.000 0.245 453 I C 2.473 178.431 176.117 -0.265 0.000 1.102 453 I CA 0.803 62.072 61.300 -0.050 0.000 1.385 453 I CB -0.184 37.860 38.000 0.073 0.000 1.064 453 I HN -0.084 nan 8.210 nan 0.000 0.414 454 A N 1.046 123.735 122.820 -0.218 0.000 1.877 454 A HA -0.119 4.154 4.320 -0.078 0.000 0.216 454 A C 2.440 179.808 177.584 -0.360 0.000 1.186 454 A CA 1.910 53.656 52.037 -0.484 0.000 0.620 454 A CB -1.432 17.557 19.000 -0.019 0.000 0.822 454 A HN 0.445 nan 8.150 nan 0.000 0.443 455 G N -0.133 108.551 108.800 -0.194 0.000 2.421 455 G HA2 -0.302 3.611 3.960 -0.078 0.000 0.216 455 G HA3 -0.302 3.611 3.960 -0.078 0.000 0.216 455 G C 1.617 176.426 174.900 -0.152 0.000 1.171 455 G CA 1.279 46.286 45.100 -0.155 0.000 0.775 455 G HN 0.640 nan 8.290 nan 0.000 0.543 456 K N 0.456 120.768 120.400 -0.147 0.000 2.211 456 K HA -0.063 4.210 4.320 -0.078 0.000 0.204 456 K C 1.430 177.944 176.600 -0.142 0.000 1.047 456 K CA 1.247 57.462 56.287 -0.119 0.000 0.935 456 K CB -0.114 32.330 32.500 -0.093 0.000 0.728 456 K HN 0.195 nan 8.250 nan 0.000 0.452 457 N N -0.087 118.470 118.700 -0.238 0.000 2.268 457 N HA 0.045 4.738 4.740 -0.078 0.000 0.204 457 N C 0.386 175.797 175.510 -0.164 0.000 1.124 457 N CA 0.864 53.778 53.050 -0.226 0.000 0.838 457 N CB 1.122 39.369 38.487 -0.399 0.000 0.994 457 N HN 0.484 nan 8.380 nan 0.000 0.489 458 G N 1.364 110.077 108.800 -0.144 0.000 2.159 458 G HA2 -0.244 3.669 3.960 -0.078 0.000 0.256 458 G HA3 -0.244 3.669 3.960 -0.078 0.000 0.256 458 G C -0.135 174.708 174.900 -0.094 0.000 0.977 458 G CA 0.152 45.195 45.100 -0.095 0.000 0.652 458 G HN 0.371 nan 8.290 nan 0.000 0.531 459 D N 0.675 120.991 120.400 -0.140 0.000 2.524 459 D HA 0.670 5.263 4.640 -0.078 0.000 0.222 459 D C 1.553 177.736 176.300 -0.195 0.000 1.142 459 D CA 0.442 54.375 54.000 -0.113 0.000 0.973 459 D CB 0.270 41.058 40.800 -0.021 0.000 1.025 459 D HN 0.361 nan 8.370 nan 0.000 0.519 460 A N 2.402 125.098 122.820 -0.207 0.000 1.933 460 A HA -0.016 4.257 4.320 -0.078 0.000 0.218 460 A C 2.071 179.239 177.584 -0.693 0.000 1.175 460 A CA 1.626 53.464 52.037 -0.332 0.000 0.628 460 A CB -0.619 18.268 19.000 -0.188 0.000 0.814 460 A HN 0.531 nan 8.150 nan 0.000 0.444 461 G N -0.665 107.745 108.800 -0.651 0.000 2.459 461 G HA2 -0.181 3.732 3.960 -0.078 0.000 0.217 461 G HA3 -0.181 3.732 3.960 -0.078 0.000 0.217 461 G C 1.823 176.380 174.900 -0.571 0.000 1.183 461 G CA 1.291 45.936 45.100 -0.759 0.000 0.776 461 G HN 0.485 nan 8.290 nan 0.000 0.552 462 S N 0.921 116.352 115.700 -0.448 0.000 2.423 462 S HA 0.058 4.481 4.470 -0.078 0.000 0.231 462 S C 2.699 176.807 174.600 -0.821 0.000 1.014 462 S CA 1.062 58.875 58.200 -0.646 0.000 0.965 462 S CB -0.244 62.681 63.200 -0.457 0.000 0.785 462 S HN 0.601 nan 8.310 nan 0.000 0.495 463 A N 1.662 124.197 122.820 -0.475 0.000 1.873 463 A HA 0.148 4.421 4.320 -0.078 0.000 0.215 463 A C 2.369 179.799 177.584 -0.256 0.000 1.186 463 A CA 1.593 53.462 52.037 -0.281 0.000 0.616 463 A CB -1.110 17.763 19.000 -0.212 0.000 0.823 463 A HN 0.504 nan 8.150 nan 0.000 0.442 464 A N -0.507 122.098 122.820 -0.360 0.000 1.902 464 A HA -0.007 4.266 4.320 -0.078 0.000 0.217 464 A C 2.243 179.722 177.584 -0.174 0.000 1.181 464 A CA 1.830 53.724 52.037 -0.239 0.000 0.623 464 A CB -0.998 17.827 19.000 -0.291 0.000 0.818 464 A HN 0.382 nan 8.150 nan 0.000 0.443 465 V N -1.066 118.692 119.914 -0.259 0.000 2.255 465 V HA -0.333 3.740 4.120 -0.078 0.000 0.247 465 V C 2.377 178.430 176.094 -0.068 0.000 1.051 465 V CA 2.107 64.299 62.300 -0.180 0.000 1.018 465 V CB -1.197 30.476 31.823 -0.249 0.000 0.641 465 V HN 0.722 nan 8.190 nan 0.000 0.445 466 Y N -0.273 119.966 120.300 -0.103 0.000 2.145 466 Y HA -0.252 4.251 4.550 -0.078 0.000 0.286 466 Y C 2.901 178.731 175.900 -0.118 0.000 1.145 466 Y CA 1.524 59.561 58.100 -0.106 0.000 1.148 466 Y CB -0.233 38.199 38.460 -0.047 0.000 0.981 466 Y HN 0.079 nan 8.280 nan 0.000 0.507 467 R N 0.386 120.928 120.500 0.071 0.000 2.062 467 R HA -0.147 4.146 4.340 -0.078 0.000 0.231 467 R C 2.547 178.841 176.300 -0.010 0.000 1.136 467 R CA 1.152 57.269 56.100 0.029 0.000 0.948 467 R CB -0.481 29.820 30.300 0.002 0.000 0.845 467 R HN 0.305 nan 8.270 nan 0.000 0.430 468 A N -0.094 122.703 122.820 -0.039 0.000 1.908 468 A HA -0.184 4.089 4.320 -0.078 0.000 0.218 468 A C 2.163 179.675 177.584 -0.120 0.000 1.181 468 A CA 2.206 54.211 52.037 -0.053 0.000 0.627 468 A CB -0.953 18.020 19.000 -0.047 0.000 0.818 468 A HN 0.412 nan 8.150 nan 0.000 0.445 469 T N 0.200 114.632 114.554 -0.203 0.000 2.674 469 T HA -0.006 4.297 4.350 -0.078 0.000 0.265 469 T C 2.268 176.544 174.700 -0.707 0.000 1.039 469 T CA 1.716 63.524 62.100 -0.487 0.000 1.150 469 T CB -0.535 67.998 68.868 -0.557 0.000 0.864 469 T HN 0.616 nan 8.240 nan 0.000 0.427 470 A N 1.891 124.462 122.820 -0.416 0.000 1.908 470 A HA -0.172 4.101 4.320 -0.078 0.000 0.218 470 A C 2.109 179.660 177.584 -0.056 0.000 1.181 470 A CA 1.873 53.784 52.037 -0.211 0.000 0.627 470 A CB -0.743 18.264 19.000 0.012 0.000 0.818 470 A HN 0.347 nan 8.150 nan 0.000 0.445 471 D N -0.718 119.691 120.400 0.015 0.000 2.123 471 D HA -0.142 4.451 4.640 -0.078 0.000 0.196 471 D C 1.940 178.239 176.300 -0.001 0.000 0.992 471 D CA 1.663 55.712 54.000 0.083 0.000 0.833 471 D CB -0.266 40.586 40.800 0.087 0.000 0.954 471 D HN 0.586 nan 8.370 nan 0.000 0.455 472 E N -0.203 119.975 120.200 -0.038 0.000 2.077 472 E HA -0.149 4.154 4.350 -0.078 0.000 0.193 472 E C 1.823 178.490 176.600 0.112 0.000 0.989 472 E CA 1.059 57.468 56.400 0.015 0.000 0.800 472 E CB -0.268 29.464 29.700 0.052 0.000 0.746 472 E HN 0.286 nan 8.360 nan 0.000 0.452 473 W N 0.989 122.290 121.300 0.001 0.000 2.388 473 W HA 0.004 4.617 4.660 -0.078 0.000 0.294 473 W C 2.272 178.711 176.519 -0.133 0.000 1.212 473 W CA 0.650 58.018 57.345 0.039 0.000 1.271 473 W CB -1.164 28.431 29.460 0.225 0.000 1.126 473 W HN 0.270 nan 8.180 nan 0.000 0.535 474 Q N 1.412 121.227 119.800 0.025 0.000 2.124 474 Q HA -0.180 4.113 4.340 -0.078 0.000 0.202 474 Q C 2.091 177.943 176.000 -0.246 0.000 0.977 474 Q CA 1.892 57.563 55.803 -0.220 0.000 0.850 474 Q CB -0.194 28.218 28.738 -0.544 0.000 0.901 474 Q HN 0.486 nan 8.270 nan 0.000 0.429 475 R N -1.087 119.296 120.500 -0.195 0.000 2.313 475 R HA 0.153 4.446 4.340 -0.078 0.000 0.199 475 R C 1.288 177.386 176.300 -0.337 0.000 0.958 475 R CA 0.866 56.835 56.100 -0.218 0.000 1.047 475 R CB 0.147 30.363 30.300 -0.139 0.000 0.955 475 R HN -0.076 nan 8.270 nan 0.000 0.481 476 S N 0.021 115.441 115.700 -0.467 0.000 2.539 476 S HA 0.058 4.481 4.470 -0.078 0.000 0.221 476 S C 1.079 175.258 174.600 -0.700 0.000 0.987 476 S CA -0.002 57.679 58.200 -0.865 0.000 0.929 476 S CB 0.685 62.854 63.200 -1.718 0.000 0.832 476 S HN 0.319 nan 8.310 nan 0.000 0.492 477 T N 2.889 117.229 114.554 -0.357 0.000 2.665 477 T HA -0.166 4.137 4.350 -0.078 0.000 0.268 477 T C 1.649 176.337 174.700 -0.019 0.000 1.035 477 T CA 1.755 63.784 62.100 -0.119 0.000 1.151 477 T CB -0.239 68.418 68.868 -0.352 0.000 0.862 477 T HN 0.433 nan 8.240 nan 0.000 0.438 478 E N 0.476 120.494 120.200 -0.303 0.000 2.107 478 E HA -0.009 4.294 4.350 -0.078 0.000 0.191 478 E C 2.171 178.630 176.600 -0.234 0.000 0.982 478 E CA 0.697 56.833 56.400 -0.440 0.000 0.809 478 E CB -0.145 28.910 29.700 -1.075 0.000 0.756 478 E HN 0.170 nan 8.360 nan 0.000 0.459 479 K N -0.015 120.208 120.400 -0.294 0.000 2.097 479 K HA -0.133 4.140 4.320 -0.078 0.000 0.206 479 K C 1.314 177.875 176.600 -0.065 0.000 1.049 479 K CA 1.276 57.429 56.287 -0.223 0.000 0.933 479 K CB -0.268 32.016 32.500 -0.360 0.000 0.717 479 K HN 0.184 nan 8.250 nan 0.000 0.442 480 W N -0.541 120.667 121.300 -0.154 0.000 2.523 480 W HA 0.166 4.780 4.660 -0.077 0.000 0.278 480 W C 1.392 177.853 176.519 -0.096 0.000 1.236 480 W CA 0.571 57.766 57.345 -0.250 0.000 1.306 480 W CB -0.233 28.983 29.460 -0.407 0.000 1.101 480 W HN 0.092 nan 8.180 nan 0.000 0.577 481 M N -2.423 117.355 119.600 0.296 0.000 2.289 481 M HA 0.151 4.584 4.480 -0.078 0.000 0.335 481 M C -0.289 176.183 176.300 0.288 0.000 0.961 481 M CA -0.011 55.490 55.300 0.335 0.000 1.018 481 M CB 0.510 33.408 32.600 0.496 0.000 1.678 481 M HN -0.330 nan 8.290 nan 0.000 0.589 482 F N 2.157 122.057 119.950 -0.083 0.000 2.335 482 F HA 0.375 4.855 4.527 -0.078 0.000 0.365 482 F C 0.625 176.282 175.800 -0.239 0.000 1.122 482 F CA -0.284 57.506 58.000 -0.349 0.000 1.151 482 F CB 0.636 39.222 39.000 -0.689 0.000 1.282 482 F HN -0.200 nan 8.300 nan 0.000 0.513 483 T N 3.391 117.568 114.554 -0.629 0.000 2.860 483 T HA 0.160 4.463 4.350 -0.078 0.000 0.299 483 T C 0.894 175.145 174.700 -0.748 0.000 1.045 483 T CA 0.059 61.821 62.100 -0.564 0.000 1.071 483 T CB 1.103 69.642 68.868 -0.548 0.000 0.985 483 T HN 0.761 nan 8.240 nan 0.000 0.537 484 T N 2.583 116.899 114.554 -0.396 0.000 3.058 484 T HA 0.164 4.467 4.350 -0.078 0.000 0.278 484 T C 0.574 175.159 174.700 -0.193 0.000 0.974 484 T CA -0.411 61.532 62.100 -0.261 0.000 0.893 484 T CB -0.056 68.772 68.868 -0.067 0.000 1.138 484 T HN 0.760 nan 8.240 nan 0.000 0.529 485 N N 0.532 119.106 118.700 -0.210 0.000 2.536 485 N HA 0.230 4.923 4.740 -0.078 0.000 0.286 485 N C 0.244 175.689 175.510 -0.108 0.000 1.577 485 N CA -0.489 52.490 53.050 -0.117 0.000 0.883 485 N CB -0.084 38.364 38.487 -0.064 0.000 1.390 485 N HN 0.145 nan 8.380 nan 0.000 0.491 486 G N 1.331 110.009 108.800 -0.204 0.000 2.432 486 G HA2 0.307 4.220 3.960 -0.078 0.000 0.257 486 G HA3 0.307 4.220 3.960 -0.078 0.000 0.257 486 G C -1.751 173.216 174.900 0.112 0.000 1.238 486 G CA -1.080 43.982 45.100 -0.064 0.000 0.838 486 G HN 0.109 nan 8.290 nan 0.000 0.547 487 P HA 0.120 nan 4.420 nan 0.000 0.269 487 P C -0.558 176.817 177.300 0.125 0.000 1.601 487 P CA 0.105 63.277 63.100 0.121 0.000 0.831 487 P CB 0.039 31.806 31.700 0.112 0.000 1.688 488 V N -0.983 119.036 119.914 0.173 0.000 2.808 488 V HA 0.562 4.635 4.120 -0.078 0.000 0.308 488 V C 1.014 177.176 176.094 0.113 0.000 1.099 488 V CA 0.018 62.370 62.300 0.087 0.000 0.920 488 V CB 1.366 33.152 31.823 -0.062 0.000 1.014 488 V HN 0.472 nan 8.190 nan 0.000 0.425 489 G N 4.419 113.249 108.800 0.051 0.000 2.652 489 G HA2 -0.347 3.566 3.960 -0.078 0.000 0.318 489 G HA3 -0.347 3.566 3.960 -0.078 0.000 0.318 489 G C 0.491 175.438 174.900 0.078 0.000 1.295 489 G CA 1.067 46.201 45.100 0.056 0.000 0.999 489 G HN 1.200 nan 8.290 nan 0.000 0.548 490 D N 0.907 121.359 120.400 0.087 0.000 2.363 490 D HA 0.352 4.945 4.640 -0.078 0.000 0.226 490 D C 1.903 178.239 176.300 0.060 0.000 1.020 490 D CA 1.354 55.395 54.000 0.068 0.000 0.892 490 D CB -0.581 40.257 40.800 0.064 0.000 0.900 490 D HN 2.110 nan 8.370 nan 0.000 0.531 491 G N -0.092 108.775 108.800 0.111 0.000 2.184 491 G HA2 -0.342 3.571 3.960 -0.078 0.000 0.264 491 G HA3 -0.342 3.571 3.960 -0.078 0.000 0.264 491 G C 0.074 174.822 174.900 -0.253 0.000 0.975 491 G CA 0.325 45.433 45.100 0.015 0.000 0.642 491 G HN 0.486 nan 8.290 nan 0.000 0.536 492 K N 0.047 120.354 120.400 -0.155 0.000 2.367 492 K HA 0.651 4.924 4.320 -0.078 0.000 0.263 492 K C -0.492 175.862 176.600 -0.410 0.000 1.000 492 K CA -0.752 55.289 56.287 -0.410 0.000 0.891 492 K CB 1.172 33.667 32.500 -0.009 0.000 1.117 492 K HN 0.637 nan 8.250 nan 0.000 0.443 493 Y N -1.061 118.626 120.300 -1.022 0.000 2.732 493 Y HA 0.258 4.761 4.550 -0.079 0.000 0.342 493 Y C -1.473 174.003 175.900 -0.706 0.000 1.203 493 Y CA -1.630 56.074 58.100 -0.660 0.000 1.092 493 Y CB 0.253 38.558 38.460 -0.257 0.000 1.345 493 Y HN 0.280 nan 8.280 nan 0.000 0.458 494 Y N 2.913 123.196 120.300 -0.028 0.000 2.377 494 Y HA 0.392 4.894 4.550 -0.079 0.000 0.330 494 Y C 0.590 176.614 175.900 0.207 0.000 1.108 494 Y CA -0.500 57.663 58.100 0.105 0.000 1.308 494 Y CB 0.741 39.291 38.460 0.150 0.000 1.216 494 Y HN 0.569 nan 8.280 nan 0.000 0.518 495 L N 1.331 122.754 121.223 0.334 0.000 2.567 495 L HA 0.482 4.775 4.340 -0.078 0.000 0.238 495 L C 1.394 178.447 176.870 0.306 0.000 1.168 495 L CA -0.724 54.306 54.840 0.318 0.000 0.817 495 L CB 0.183 42.365 42.059 0.206 0.000 1.409 495 L HN 0.580 nan 8.230 nan 0.000 0.502 496 R N -0.346 120.285 120.500 0.219 0.000 2.062 496 R HA 0.314 4.607 4.340 -0.078 0.000 0.226 496 R C -0.079 176.323 176.300 0.170 0.000 1.125 496 R CA 1.243 57.443 56.100 0.166 0.000 0.966 496 R CB 0.216 30.548 30.300 0.053 0.000 0.861 496 R HN 0.755 nan 8.270 nan 0.000 0.433 497 I N -0.413 120.293 120.570 0.227 0.000 2.785 497 I HA 0.145 4.268 4.170 -0.078 0.000 0.293 497 I C -1.823 174.433 176.117 0.231 0.000 1.446 497 I CA -0.540 60.883 61.300 0.206 0.000 1.028 497 I CB 2.257 40.350 38.000 0.156 0.000 1.349 497 I HN 0.037 nan 8.210 nan 0.000 0.438 498 S N 4.340 120.160 115.700 0.199 0.000 2.500 498 S HA 0.759 5.182 4.470 -0.078 0.000 0.301 498 S C 0.590 175.287 174.600 0.161 0.000 1.092 498 S CA 0.186 58.491 58.200 0.175 0.000 1.030 498 S CB 1.901 65.189 63.200 0.147 0.000 1.031 498 S HN 0.798 nan 8.310 nan 0.000 0.483 499 A N 2.911 125.781 122.820 0.084 0.000 2.021 499 A HA 0.092 4.365 4.320 -0.078 0.000 0.216 499 A C 1.936 179.567 177.584 0.078 0.000 1.163 499 A CA 1.598 53.650 52.037 0.025 0.000 0.676 499 A CB -0.796 18.183 19.000 -0.034 0.000 0.818 499 A HN 0.991 nan 8.150 nan 0.000 0.453 500 T N -5.785 108.825 114.554 0.093 0.000 2.990 500 T HA 0.423 4.726 4.350 -0.078 0.000 0.249 500 T C 1.398 176.087 174.700 -0.019 0.000 1.039 500 T CA 1.161 63.303 62.100 0.069 0.000 1.036 500 T CB 0.373 69.254 68.868 0.023 0.000 0.994 500 T HN 1.609 nan 8.240 nan 0.000 0.489 501 G N 1.797 110.494 108.800 -0.172 0.000 2.157 501 G HA2 -0.236 3.677 3.960 -0.078 0.000 0.239 501 G HA3 -0.236 3.677 3.960 -0.078 0.000 0.239 501 G C -0.070 174.758 174.900 -0.120 0.000 0.982 501 G CA 0.032 44.766 45.100 -0.610 0.000 0.650 501 G HN 0.814 nan 8.290 nan 0.000 0.527 502 N N 0.702 119.378 118.700 -0.040 0.000 2.776 502 N HA 0.424 5.117 4.740 -0.078 0.000 0.245 502 N C -0.980 174.537 175.510 0.011 0.000 1.121 502 N CA -1.650 51.402 53.050 0.003 0.000 0.852 502 N CB 1.465 39.956 38.487 0.007 0.000 1.142 502 N HN 0.024 nan 8.380 nan 0.000 0.514 503 P HA -0.112 nan 4.420 nan 0.000 0.229 503 P C -0.066 177.216 177.300 -0.030 0.000 1.150 503 P CA 1.111 64.213 63.100 0.003 0.000 0.765 503 P CB 0.177 31.870 31.700 -0.013 0.000 0.783 504 N N -0.004 118.681 118.700 -0.025 0.000 2.236 504 N HA -0.022 4.671 4.740 -0.078 0.000 0.196 504 N C 0.725 176.232 175.510 -0.005 0.000 1.114 504 N CA 0.048 53.080 53.050 -0.031 0.000 0.859 504 N CB 0.035 38.501 38.487 -0.035 0.000 0.982 504 N HN 0.176 nan 8.380 nan 0.000 0.493 505 D N 0.467 120.872 120.400 0.009 0.000 2.363 505 D HA -0.004 4.589 4.640 -0.078 0.000 0.226 505 D C 1.278 177.596 176.300 0.029 0.000 1.020 505 D CA 0.288 54.298 54.000 0.017 0.000 0.892 505 D CB -0.483 40.328 40.800 0.018 0.000 0.900 505 D HN 0.112 nan 8.370 nan 0.000 0.531 506 G N 0.081 108.906 108.800 0.041 0.000 2.258 506 G HA2 -0.211 3.702 3.960 -0.078 0.000 0.274 506 G HA3 -0.211 3.702 3.960 -0.078 0.000 0.274 506 G C 0.539 175.486 174.900 0.078 0.000 1.021 506 G CA 0.334 45.473 45.100 0.065 0.000 0.798 506 G HN 0.858 nan 8.290 nan 0.000 0.507 507 A N 0.056 122.919 122.820 0.072 0.000 2.511 507 A HA 0.639 4.912 4.320 -0.078 0.000 0.242 507 A C 1.074 178.714 177.584 0.094 0.000 1.069 507 A CA 1.214 53.288 52.037 0.061 0.000 0.763 507 A CB 0.241 19.265 19.000 0.040 0.000 1.001 507 A HN 1.780 nan 8.150 nan 0.000 0.498 508 T N -0.010 114.583 114.554 0.064 0.000 2.937 508 T HA 0.850 5.152 4.350 -0.078 0.000 0.283 508 T C -0.238 174.439 174.700 -0.038 0.000 1.012 508 T CA -0.667 61.482 62.100 0.083 0.000 0.997 508 T CB 1.219 70.129 68.868 0.070 0.000 1.136 508 T HN 1.259 nan 8.240 nan 0.000 0.551 509 R N -0.426 120.005 120.500 -0.116 0.000 2.765 509 R HA 0.462 4.755 4.340 -0.078 0.000 0.277 509 R C -2.198 173.874 176.300 -0.381 0.000 1.028 509 R CA -0.919 54.987 56.100 -0.323 0.000 0.860 509 R CB 0.517 30.474 30.300 -0.571 0.000 1.270 509 R HN 0.584 nan 8.270 nan 0.000 0.484 510 D N 0.766 120.995 120.400 -0.285 0.000 2.277 510 D HA 0.166 4.759 4.640 -0.078 0.000 0.249 510 D C -0.439 175.739 176.300 -0.203 0.000 1.134 510 D CA -0.455 53.476 54.000 -0.114 0.000 0.863 510 D CB 0.518 41.300 40.800 -0.030 0.000 1.143 510 D HN 0.544 nan 8.370 nan 0.000 0.458 511 W N 3.518 124.912 121.300 0.156 0.000 3.400 511 W HA 0.374 4.988 4.660 -0.077 0.000 0.347 511 W C 1.477 178.113 176.519 0.195 0.000 1.218 511 W CA 0.128 57.574 57.345 0.168 0.000 1.837 511 W CB -0.237 29.360 29.460 0.229 0.000 1.067 511 W HN 0.732 nan 8.180 nan 0.000 0.701 512 G N 1.671 110.650 108.800 0.299 0.000 2.806 512 G HA2 -0.365 3.548 3.960 -0.078 0.000 0.236 512 G HA3 -0.365 3.548 3.960 -0.078 0.000 0.236 512 G C 0.576 175.676 174.900 0.332 0.000 1.387 512 G CA -0.023 45.243 45.100 0.277 0.000 0.884 512 G HN 0.329 nan 8.290 nan 0.000 0.560 513 N N -0.671 118.236 118.700 0.344 0.000 2.681 513 N HA -0.212 4.481 4.740 -0.078 0.000 0.250 513 N C 1.737 177.436 175.510 0.315 0.000 1.133 513 N CA 3.058 56.361 53.050 0.421 0.000 0.732 513 N CB -1.285 37.485 38.487 0.472 0.000 1.107 513 N HN 2.615 nan 8.380 nan 0.000 0.559 514 G N -1.762 107.183 108.800 0.242 0.000 2.157 514 G HA2 -0.252 3.661 3.960 -0.078 0.000 0.248 514 G HA3 -0.252 3.661 3.960 -0.078 0.000 0.248 514 G C 0.965 175.985 174.900 0.201 0.000 0.979 514 G CA 0.933 46.143 45.100 0.184 0.000 0.650 514 G HN 0.951 nan 8.290 nan 0.000 0.529 515 A N -0.253 122.729 122.820 0.271 0.000 2.067 515 A HA 0.554 4.827 4.320 -0.078 0.000 0.217 515 A C 2.550 180.343 177.584 0.349 0.000 1.156 515 A CA 2.040 54.269 52.037 0.320 0.000 0.683 515 A CB -0.479 18.766 19.000 0.409 0.000 0.808 515 A HN 2.672 nan 8.150 nan 0.000 0.455 516 G N -1.852 107.112 108.800 0.274 0.000 2.642 516 G HA2 -0.099 3.814 3.960 -0.078 0.000 0.231 516 G HA3 -0.099 3.814 3.960 -0.078 0.000 0.231 516 G C -0.253 174.781 174.900 0.223 0.000 1.338 516 G CA -0.333 44.867 45.100 0.166 0.000 0.883 516 G HN 0.925 nan 8.290 nan 0.000 0.570 517 V N 2.491 122.407 119.914 0.003 0.000 2.439 517 V HA 0.674 4.747 4.120 -0.078 0.000 0.282 517 V C 0.251 176.236 176.094 -0.182 0.000 1.039 517 V CA -0.221 62.091 62.300 0.020 0.000 0.913 517 V CB 1.331 33.132 31.823 -0.036 0.000 0.983 517 V HN 0.816 nan 8.190 nan 0.000 0.460 518 H N 4.281 123.559 119.070 0.347 0.000 2.996 518 H HA 0.375 4.884 4.556 -0.078 0.000 0.368 518 H C -2.784 172.810 175.328 0.444 0.000 1.185 518 H CA -1.494 54.732 56.048 0.297 0.000 1.160 518 H CB 2.898 32.761 29.762 0.169 0.000 1.820 518 H HN 0.370 nan 8.280 nan 0.000 0.547 519 P HA 0.085 nan 4.420 nan 0.000 0.276 519 P C 0.301 177.848 177.300 0.411 0.000 1.230 519 P CA -0.120 63.176 63.100 0.326 0.000 0.776 519 P CB 1.407 33.227 31.700 0.201 0.000 0.888 520 E N 1.766 122.229 120.200 0.437 0.000 2.284 520 E HA -0.246 4.056 4.350 -0.078 0.000 0.200 520 E C 1.445 178.209 176.600 0.272 0.000 1.008 520 E CA 1.007 57.691 56.400 0.473 0.000 0.829 520 E CB -0.313 29.605 29.700 0.363 0.000 0.744 520 E HN 0.441 nan 8.360 nan 0.000 0.491 521 N N 0.264 119.087 118.700 0.205 0.000 2.309 521 N HA -0.080 4.613 4.740 -0.078 0.000 0.182 521 N C 1.229 176.862 175.510 0.205 0.000 1.018 521 N CA 1.102 54.236 53.050 0.139 0.000 0.876 521 N CB 0.054 38.596 38.487 0.092 0.000 0.972 521 N HN 0.183 nan 8.380 nan 0.000 0.434 522 A N -0.622 122.326 122.820 0.214 0.000 2.308 522 A HA 0.221 4.494 4.320 -0.078 0.000 0.217 522 A C 0.316 177.939 177.584 0.065 0.000 1.216 522 A CA -0.128 52.029 52.037 0.201 0.000 0.864 522 A CB 0.444 19.622 19.000 0.296 0.000 0.902 522 A HN -0.021 nan 8.150 nan 0.000 0.499 523 V N 2.927 122.833 119.914 -0.013 0.000 2.318 523 V HA 0.279 4.352 4.120 -0.078 0.000 0.271 523 V C -0.287 175.760 176.094 -0.079 0.000 1.030 523 V CA -0.470 61.685 62.300 -0.241 0.000 0.844 523 V CB 0.886 32.273 31.823 -0.727 0.000 1.015 523 V HN 0.271 nan 8.190 nan 0.000 0.460 524 L N 4.204 125.370 121.223 -0.094 0.000 2.334 524 L HA 0.663 4.956 4.340 -0.078 0.000 0.277 524 L C -0.185 176.737 176.870 0.087 0.000 1.075 524 L CA 0.277 55.117 54.840 0.000 0.000 0.804 524 L CB 1.567 43.552 42.059 -0.123 0.000 1.174 524 L HN 0.675 nan 8.230 nan 0.000 0.438 525 D N 0.894 121.411 120.400 0.195 0.000 2.977 525 D HA 0.190 4.783 4.640 -0.078 0.000 0.220 525 D C 0.596 176.985 176.300 0.149 0.000 1.267 525 D CA -0.387 53.733 54.000 0.200 0.000 0.884 525 D CB 2.420 43.342 40.800 0.204 0.000 1.667 525 D HN 0.666 nan 8.370 nan 0.000 0.536 526 G N 1.671 110.438 108.800 -0.056 0.000 2.776 526 G HA2 -0.020 3.893 3.960 -0.078 0.000 0.209 526 G HA3 -0.020 3.893 3.960 -0.078 0.000 0.209 526 G C 1.260 175.763 174.900 -0.661 0.000 1.145 526 G CA 0.631 45.421 45.100 -0.518 0.000 0.791 526 G HN 0.523 nan 8.290 nan 0.000 0.530 527 G N 1.304 109.914 108.800 -0.316 0.000 2.479 527 G HA2 -0.206 3.707 3.960 -0.078 0.000 0.220 527 G HA3 -0.206 3.707 3.960 -0.078 0.000 0.220 527 G C 1.460 176.066 174.900 -0.490 0.000 1.115 527 G CA 0.927 45.819 45.100 -0.347 0.000 0.757 527 G HN 0.639 nan 8.290 nan 0.000 0.560 528 F N -0.086 119.672 119.950 -0.320 0.000 2.451 528 F HA 0.231 4.711 4.527 -0.079 0.000 0.299 528 F C 1.955 177.549 175.800 -0.343 0.000 1.101 528 F CA 0.149 57.860 58.000 -0.482 0.000 1.436 528 F CB -0.361 38.496 39.000 -0.237 0.000 1.074 528 F HN 0.030 nan 8.300 nan 0.000 0.553 529 L N 0.545 121.310 121.223 -0.765 0.000 2.362 529 L HA -0.097 4.196 4.340 -0.078 0.000 0.219 529 L C 2.269 179.020 176.870 -0.199 0.000 1.134 529 L CA 0.766 55.343 54.840 -0.439 0.000 0.807 529 L CB -0.649 41.061 42.059 -0.583 0.000 0.927 529 L HN 0.182 nan 8.230 nan 0.000 0.447 530 E N 0.020 120.036 120.200 -0.307 0.000 2.265 530 E HA -0.176 4.127 4.350 -0.078 0.000 0.196 530 E C 2.100 178.647 176.600 -0.090 0.000 0.996 530 E CA 1.054 57.334 56.400 -0.201 0.000 0.832 530 E CB -0.146 29.383 29.700 -0.285 0.000 0.756 530 E HN 0.522 nan 8.360 nan 0.000 0.491 531 F N 0.526 120.468 119.950 -0.014 0.000 2.095 531 F HA -0.226 4.254 4.527 -0.078 0.000 0.298 531 F C 2.582 178.427 175.800 0.074 0.000 1.104 531 F CA 1.237 59.246 58.000 0.016 0.000 1.232 531 F CB -0.323 38.680 39.000 0.005 0.000 0.987 531 F HN -0.015 nan 8.300 nan 0.000 0.475 532 V N -1.002 119.101 119.914 0.314 0.000 2.649 532 V HA -0.096 3.977 4.120 -0.078 0.000 0.248 532 V C 2.207 178.410 176.094 0.182 0.000 1.054 532 V CA 1.310 63.764 62.300 0.256 0.000 1.073 532 V CB -0.672 31.340 31.823 0.316 0.000 0.699 532 V HN 0.276 nan 8.190 nan 0.000 0.463 533 R N -0.008 120.582 120.500 0.150 0.000 2.105 533 R HA 0.026 4.319 4.340 -0.078 0.000 0.239 533 R C 1.867 178.242 176.300 0.125 0.000 1.135 533 R CA 1.948 58.115 56.100 0.112 0.000 0.967 533 R CB -0.249 30.097 30.300 0.077 0.000 0.861 533 R HN 0.589 nan 8.270 nan 0.000 0.442 534 L N -0.247 121.060 121.223 0.139 0.000 2.653 534 L HA 0.243 4.536 4.340 -0.078 0.000 0.231 534 L C 0.842 177.813 176.870 0.170 0.000 1.153 534 L CA 0.278 55.209 54.840 0.152 0.000 0.933 534 L CB 0.652 42.792 42.059 0.135 0.000 1.175 534 L HN 0.470 nan 8.230 nan 0.000 0.473 535 G N 0.111 109.014 108.800 0.172 0.000 2.203 535 G HA2 -0.267 3.646 3.960 -0.078 0.000 0.263 535 G HA3 -0.267 3.646 3.960 -0.078 0.000 0.263 535 G C 0.688 175.738 174.900 0.250 0.000 1.012 535 G CA 0.506 45.718 45.100 0.186 0.000 0.749 535 G HN 0.217 nan 8.290 nan 0.000 0.512 536 V N -0.944 119.107 119.914 0.228 0.000 3.129 536 V HA 0.196 4.269 4.120 -0.078 0.000 0.259 536 V C 1.251 177.386 176.094 0.068 0.000 1.116 536 V CA 1.706 64.091 62.300 0.141 0.000 1.127 536 V CB -0.053 31.871 31.823 0.170 0.000 0.742 536 V HN 0.404 nan 8.190 nan 0.000 0.474 537 K N -0.551 119.937 120.400 0.147 0.000 2.536 537 K HA 0.666 4.939 4.320 -0.078 0.000 0.269 537 K C -0.508 176.186 176.600 0.157 0.000 0.965 537 K CA -0.329 56.026 56.287 0.114 0.000 0.860 537 K CB 2.251 34.800 32.500 0.082 0.000 1.423 537 K HN 0.046 nan 8.250 nan 0.000 0.438 538 A N 1.966 124.866 122.820 0.133 0.000 2.466 538 A HA 0.262 4.535 4.320 -0.078 0.000 0.238 538 A C -1.554 176.110 177.584 0.134 0.000 1.074 538 A CA -0.578 51.529 52.037 0.116 0.000 0.774 538 A CB -0.254 18.798 19.000 0.088 0.000 1.015 538 A HN 0.372 nan 8.150 nan 0.000 0.498 539 P HA -0.132 nan 4.420 nan 0.000 0.216 539 P C 1.002 178.349 177.300 0.078 0.000 1.150 539 P CA 2.185 65.325 63.100 0.066 0.000 0.837 539 P CB 0.198 31.887 31.700 -0.019 0.000 0.786 540 A N -0.931 121.930 122.820 0.068 0.000 2.370 540 A HA 0.075 4.348 4.320 -0.078 0.000 0.238 540 A C 0.343 177.996 177.584 0.115 0.000 1.289 540 A CA -0.220 51.864 52.037 0.079 0.000 0.885 540 A CB -1.416 17.607 19.000 0.038 0.000 0.961 540 A HN 0.102 nan 8.150 nan 0.000 0.499 541 D N 1.170 121.664 120.400 0.156 0.000 2.648 541 D HA -0.013 4.580 4.640 -0.078 0.000 0.229 541 D C -0.717 175.658 176.300 0.125 0.000 1.119 541 D CA -0.495 53.595 54.000 0.150 0.000 0.850 541 D CB 1.033 41.957 40.800 0.207 0.000 1.169 541 D HN 0.175 nan 8.370 nan 0.000 0.489 542 P HA -0.186 nan 4.420 nan 0.000 0.217 542 P C 0.826 178.010 177.300 -0.194 0.000 1.151 542 P CA 1.293 64.317 63.100 -0.126 0.000 0.828 542 P CB -0.023 31.508 31.700 -0.282 0.000 0.788 543 Y N 0.119 120.330 120.300 -0.147 0.000 2.242 543 Y HA -0.118 4.385 4.550 -0.078 0.000 0.291 543 Y C 2.677 178.597 175.900 0.033 0.000 1.137 543 Y CA 0.858 58.759 58.100 -0.333 0.000 1.181 543 Y CB -1.439 36.657 38.460 -0.608 0.000 0.989 543 Y HN -0.269 nan 8.280 nan 0.000 0.527 544 V N -0.309 119.831 119.914 0.377 0.000 2.515 544 V HA -0.308 3.765 4.120 -0.078 0.000 0.250 544 V C 2.439 178.680 176.094 0.246 0.000 1.058 544 V CA 1.537 64.077 62.300 0.399 0.000 1.064 544 V CB -1.268 30.847 31.823 0.487 0.000 0.675 544 V HN 0.464 nan 8.190 nan 0.000 0.461 545 A N -0.144 122.813 122.820 0.229 0.000 1.877 545 A HA -0.268 4.005 4.320 -0.078 0.000 0.216 545 A C 2.159 179.835 177.584 0.153 0.000 1.186 545 A CA 1.898 54.059 52.037 0.206 0.000 0.620 545 A CB -0.602 18.493 19.000 0.159 0.000 0.822 545 A HN 0.514 nan 8.150 nan 0.000 0.443 546 D N -0.359 120.121 120.400 0.134 0.000 2.348 546 D HA -0.021 4.572 4.640 -0.078 0.000 0.216 546 D C 1.703 178.103 176.300 0.168 0.000 0.970 546 D CA 1.059 55.156 54.000 0.161 0.000 0.889 546 D CB 0.030 40.962 40.800 0.220 0.000 0.912 546 D HN 0.341 nan 8.370 nan 0.000 0.524 547 S N -0.108 115.650 115.700 0.097 0.000 2.428 547 S HA -0.055 4.368 4.470 -0.078 0.000 0.230 547 S C 1.797 176.412 174.600 0.024 0.000 1.014 547 S CA -0.041 58.106 58.200 -0.088 0.000 0.957 547 S CB 0.176 62.874 63.200 -0.837 0.000 0.784 547 S HN 0.193 nan 8.310 nan 0.000 0.499 548 L N 2.121 123.428 121.223 0.140 0.000 1.970 548 L HA -0.115 4.178 4.340 -0.078 0.000 0.212 548 L C 2.686 179.667 176.870 0.184 0.000 1.071 548 L CA 2.005 56.985 54.840 0.232 0.000 0.751 548 L CB -1.650 40.545 42.059 0.227 0.000 0.889 548 L HN 0.293 nan 8.230 nan 0.000 0.432 549 A N -0.719 122.180 122.820 0.132 0.000 1.859 549 A HA -0.263 4.010 4.320 -0.078 0.000 0.217 549 A C 2.217 179.824 177.584 0.038 0.000 1.198 549 A CA 2.053 54.145 52.037 0.092 0.000 0.629 549 A CB -0.740 18.307 19.000 0.078 0.000 0.830 549 A HN 0.439 nan 8.150 nan 0.000 0.446 550 E N -0.564 119.621 120.200 -0.026 0.000 2.058 550 E HA -0.102 4.201 4.350 -0.078 0.000 0.194 550 E C 2.163 178.656 176.600 -0.179 0.000 0.997 550 E CA 1.806 58.098 56.400 -0.180 0.000 0.801 550 E CB -0.795 28.637 29.700 -0.448 0.000 0.746 550 E HN 0.604 nan 8.360 nan 0.000 0.450 551 T N 1.223 115.729 114.554 -0.081 0.000 2.720 551 T HA -0.157 4.146 4.350 -0.078 0.000 0.268 551 T C 1.141 175.935 174.700 0.155 0.000 1.037 551 T CA 1.600 63.739 62.100 0.065 0.000 1.144 551 T CB -0.392 68.658 68.868 0.304 0.000 0.864 551 T HN 0.119 nan 8.240 nan 0.000 0.444 552 D N 1.153 121.676 120.400 0.205 0.000 2.117 552 D HA 0.012 4.605 4.640 -0.078 0.000 0.197 552 D C 2.350 178.662 176.300 0.019 0.000 0.987 552 D CA 1.194 55.310 54.000 0.194 0.000 0.829 552 D CB -0.498 40.424 40.800 0.204 0.000 0.961 552 D HN 0.410 nan 8.370 nan 0.000 0.460 553 A N 0.355 123.172 122.820 -0.005 0.000 1.902 553 A HA -0.159 4.114 4.320 -0.078 0.000 0.217 553 A C 2.332 179.869 177.584 -0.078 0.000 1.181 553 A CA 2.091 54.100 52.037 -0.048 0.000 0.623 553 A CB -0.692 18.279 19.000 -0.048 0.000 0.818 553 A HN 0.236 nan 8.150 nan 0.000 0.443 554 S N -0.447 115.195 115.700 -0.097 0.000 2.371 554 S HA -0.041 4.382 4.470 -0.078 0.000 0.224 554 S C 1.564 176.082 174.600 -0.137 0.000 1.029 554 S CA 1.422 59.534 58.200 -0.147 0.000 0.978 554 S CB -0.361 62.718 63.200 -0.202 0.000 0.833 554 S HN 0.798 nan 8.310 nan 0.000 0.466 555 I N -0.467 120.078 120.570 -0.041 0.000 4.338 555 I HA 0.417 4.540 4.170 -0.078 0.000 0.329 555 I C 0.269 176.439 176.117 0.088 0.000 1.378 555 I CA -0.561 60.763 61.300 0.040 0.000 1.170 555 I CB 0.580 38.630 38.000 0.082 0.000 1.206 555 I HN 0.235 nan 8.210 nan 0.000 0.432 556 S N 1.355 116.986 115.700 -0.116 0.000 2.687 556 S HA 0.698 5.121 4.470 -0.078 0.000 0.283 556 S C -0.446 173.944 174.600 -0.350 0.000 1.170 556 S CA -0.333 57.557 58.200 -0.516 0.000 1.008 556 S CB 1.960 64.648 63.200 -0.854 0.000 1.026 556 S HN 0.564 nan 8.310 nan 0.000 0.541 557 Q N 0.361 119.886 119.800 -0.458 0.000 2.438 557 Q HA 0.357 4.650 4.340 -0.078 0.000 0.272 557 Q C -2.044 173.772 176.000 -0.307 0.000 0.994 557 Q CA -0.529 55.103 55.803 -0.286 0.000 0.887 557 Q CB 1.505 30.137 28.738 -0.178 0.000 1.432 557 Q HN 0.719 nan 8.270 nan 0.000 0.392 558 E N 1.993 122.066 120.200 -0.212 0.000 2.130 558 E HA 0.323 4.626 4.350 -0.078 0.000 0.284 558 E C -0.807 175.716 176.600 -0.128 0.000 1.018 558 E CA 0.007 56.302 56.400 -0.174 0.000 0.817 558 E CB 1.179 30.802 29.700 -0.129 0.000 1.078 558 E HN 0.630 nan 8.360 nan 0.000 0.396 559 T N 1.475 115.957 114.554 -0.120 0.000 2.923 559 T HA 0.437 4.740 4.350 -0.078 0.000 0.281 559 T C -1.564 173.100 174.700 -0.061 0.000 0.995 559 T CA -1.574 60.476 62.100 -0.085 0.000 0.985 559 T CB 1.250 70.069 68.868 -0.082 0.000 1.114 559 T HN 0.284 nan 8.240 nan 0.000 0.548 560 P HA 0.058 nan 4.420 nan 0.000 0.222 560 P C 1.423 178.706 177.300 -0.029 0.000 1.147 560 P CA 0.982 64.063 63.100 -0.032 0.000 0.790 560 P CB -0.447 31.240 31.700 -0.022 0.000 0.780 561 G N -1.152 107.630 108.800 -0.031 0.000 2.880 561 G HA2 0.410 4.323 3.960 -0.078 0.000 0.209 561 G HA3 0.410 4.323 3.960 -0.078 0.000 0.209 561 G C 0.655 175.546 174.900 -0.015 0.000 1.157 561 G CA 0.519 45.608 45.100 -0.018 0.000 0.779 561 G HN 0.658 nan 8.290 nan 0.000 0.539 562 G N -0.826 107.952 108.800 -0.038 0.000 2.347 562 G HA2 0.124 4.037 3.960 -0.078 0.000 0.341 562 G HA3 0.124 4.037 3.960 -0.078 0.000 0.341 562 G C -0.852 173.999 174.900 -0.083 0.000 1.287 562 G CA -0.767 44.303 45.100 -0.050 0.000 0.984 562 G HN 0.408 nan 8.290 nan 0.000 0.526 563 R N -0.286 120.150 120.500 -0.106 0.000 2.438 563 R HA 0.699 4.992 4.340 -0.078 0.000 0.287 563 R C 0.501 176.638 176.300 -0.272 0.000 1.077 563 R CA 0.162 56.098 56.100 -0.274 0.000 1.034 563 R CB 0.291 30.373 30.300 -0.362 0.000 0.993 563 R HN 0.543 nan 8.270 nan 0.000 0.459 564 M N 2.586 121.901 119.600 -0.474 0.000 2.691 564 M HA 0.474 4.907 4.480 -0.078 0.000 0.293 564 M C -1.184 174.864 176.300 -0.421 0.000 1.259 564 M CA -0.708 54.477 55.300 -0.191 0.000 0.827 564 M CB 2.285 34.816 32.600 -0.114 0.000 1.753 564 M HN 0.496 nan 8.290 nan 0.000 0.465 565 W N 0.143 121.366 121.300 -0.127 0.000 2.936 565 W HA 0.447 5.060 4.660 -0.079 0.000 0.338 565 W C -0.470 175.904 176.519 -0.243 0.000 1.121 565 W CA -0.599 56.656 57.345 -0.151 0.000 1.209 565 W CB 1.416 30.834 29.460 -0.072 0.000 1.420 565 W HN 0.552 nan 8.180 nan 0.000 0.516 566 H N 0.999 120.107 119.070 0.062 0.000 2.509 566 H HA 0.248 4.757 4.556 -0.078 0.000 0.359 566 H C 1.129 176.328 175.328 -0.216 0.000 1.253 566 H CA 0.146 56.131 56.048 -0.104 0.000 1.373 566 H CB 1.552 31.197 29.762 -0.196 0.000 1.555 566 H HN 0.242 nan 8.280 nan 0.000 0.586 567 R N 0.175 120.404 120.500 -0.452 0.000 2.062 567 R HA -0.078 4.215 4.340 -0.078 0.000 0.231 567 R C -0.010 176.220 176.300 -0.116 0.000 1.136 567 R CA 1.710 57.459 56.100 -0.584 0.000 0.948 567 R CB 0.023 29.491 30.300 -1.388 0.000 0.845 567 R HN 0.578 nan 8.270 nan 0.000 0.430 568 Y N -4.018 116.155 120.300 -0.211 0.000 2.725 568 Y HA 0.386 4.888 4.550 -0.079 0.000 0.333 568 Y C -0.999 174.725 175.900 -0.293 0.000 1.242 568 Y CA -1.695 56.301 58.100 -0.174 0.000 1.059 568 Y CB 0.570 38.958 38.460 -0.121 0.000 1.306 568 Y HN -0.265 nan 8.280 nan 0.000 0.454 569 T N 2.207 116.643 114.554 -0.196 0.000 2.902 569 T HA 0.092 4.395 4.350 -0.078 0.000 0.301 569 T C -0.625 173.710 174.700 -0.609 0.000 1.012 569 T CA 1.212 62.929 62.100 -0.637 0.000 1.151 569 T CB -0.653 67.658 68.868 -0.929 0.000 0.946 569 T HN 0.830 nan 8.240 nan 0.000 0.542 570 Y N -1.382 118.736 120.300 -0.304 0.000 4.916 570 Y HA -0.248 4.256 4.550 -0.078 0.000 0.247 570 Y C 0.847 176.640 175.900 -0.180 0.000 0.962 570 Y CA 0.321 58.262 58.100 -0.265 0.000 1.933 570 Y CB -1.915 36.283 38.460 -0.437 0.000 1.451 570 Y HN 0.677 nan 8.280 nan 0.000 0.539 571 D N 1.595 121.800 120.400 -0.326 0.000 2.586 571 D HA 0.169 4.762 4.640 -0.078 0.000 0.234 571 D C 1.149 177.359 176.300 -0.151 0.000 1.132 571 D CA 1.437 55.115 54.000 -0.536 0.000 0.860 571 D CB 1.070 41.118 40.800 -1.254 0.000 1.159 571 D HN 0.396 nan 8.370 nan 0.000 0.490 572 G N 3.150 111.985 108.800 0.058 0.000 3.277 572 G HA2 -0.065 3.848 3.960 -0.078 0.000 0.243 572 G HA3 -0.065 3.848 3.960 -0.078 0.000 0.243 572 G C 0.220 175.232 174.900 0.185 0.000 1.107 572 G CA -0.432 44.753 45.100 0.142 0.000 0.771 572 G HN 0.618 nan 8.290 nan 0.000 0.544 573 Y N 1.670 121.931 120.300 -0.066 0.000 2.570 573 Y HA 0.455 4.958 4.550 -0.079 0.000 0.336 573 Y C 0.693 176.510 175.900 -0.138 0.000 1.284 573 Y CA 0.116 58.056 58.100 -0.267 0.000 1.761 573 Y CB -0.307 38.014 38.460 -0.232 0.000 1.724 573 Y HN 0.170 nan 8.280 nan 0.000 0.455 574 G N 2.777 111.406 108.800 -0.284 0.000 2.430 574 G HA2 0.183 4.096 3.960 -0.078 0.000 0.300 574 G HA3 0.183 4.096 3.960 -0.078 0.000 0.300 574 G C -1.466 173.406 174.900 -0.047 0.000 1.330 574 G CA -1.162 43.869 45.100 -0.115 0.000 0.813 574 G HN 0.255 nan 8.290 nan 0.000 0.487 575 E N 0.530 120.780 120.200 0.084 0.000 2.458 575 E HA 0.276 4.579 4.350 -0.078 0.000 0.264 575 E C 0.596 177.261 176.600 0.109 0.000 1.097 575 E CA 0.489 56.938 56.400 0.082 0.000 0.973 575 E CB 0.442 30.308 29.700 0.276 0.000 0.963 575 E HN 0.405 nan 8.360 nan 0.000 0.451 576 K N 0.476 120.920 120.400 0.074 0.000 2.102 576 K HA 0.340 4.613 4.320 -0.078 0.000 0.244 576 K C 1.069 177.772 176.600 0.172 0.000 1.021 576 K CA 0.019 56.360 56.287 0.090 0.000 0.913 576 K CB 0.605 33.128 32.500 0.038 0.000 1.062 576 K HN 0.537 nan 8.250 nan 0.000 0.485 577 A N 1.400 124.304 122.820 0.140 0.000 2.032 577 A HA -0.190 4.083 4.320 -0.078 0.000 0.221 577 A C 1.293 179.011 177.584 0.225 0.000 1.165 577 A CA 2.214 54.351 52.037 0.166 0.000 0.645 577 A CB -0.614 18.450 19.000 0.106 0.000 0.807 577 A HN 0.853 nan 8.150 nan 0.000 0.453 578 D N -2.729 117.790 120.400 0.198 0.000 2.339 578 D HA 0.294 4.887 4.640 -0.078 0.000 0.217 578 D C 1.153 177.632 176.300 0.299 0.000 1.050 578 D CA 0.908 55.039 54.000 0.218 0.000 0.856 578 D CB -0.463 40.442 40.800 0.174 0.000 0.922 578 D HN 0.753 nan 8.370 nan 0.000 0.518 579 G N 0.328 109.304 108.800 0.293 0.000 2.195 579 G HA2 -0.292 3.621 3.960 -0.078 0.000 0.246 579 G HA3 -0.292 3.621 3.960 -0.078 0.000 0.246 579 G C 0.438 175.155 174.900 -0.305 0.000 0.984 579 G CA 0.359 45.578 45.100 0.197 0.000 0.633 579 G HN 0.825 nan 8.290 nan 0.000 0.525 580 S N 1.700 117.237 115.700 -0.273 0.000 2.585 580 S HA 0.607 5.030 4.470 -0.078 0.000 0.273 580 S C -1.530 172.892 174.600 -0.297 0.000 1.339 580 S CA -0.580 57.327 58.200 -0.488 0.000 1.028 580 S CB 1.727 64.867 63.200 -0.101 0.000 0.906 580 S HN 0.432 nan 8.310 nan 0.000 0.528 581 P HA -0.037 nan 4.420 nan 0.000 0.267 581 P C -0.474 176.502 177.300 -0.540 0.000 1.201 581 P CA -0.292 62.569 63.100 -0.397 0.000 0.775 581 P CB 0.272 31.888 31.700 -0.140 0.000 0.854 582 W N 3.724 124.247 121.300 -1.295 0.000 2.210 582 W HA 0.125 4.738 4.660 -0.078 0.000 0.330 582 W C 0.284 176.454 176.519 -0.582 0.000 1.334 582 W CA 0.448 57.217 57.345 -0.960 0.000 1.227 582 W CB 0.232 28.813 29.460 -1.465 0.000 1.178 582 W HN 0.392 nan 8.180 nan 0.000 0.560 583 D N 3.094 122.834 120.400 -1.100 0.000 2.692 583 D HA 0.256 4.849 4.640 -0.078 0.000 0.290 583 D C 0.997 176.641 176.300 -1.093 0.000 1.455 583 D CA 0.145 53.585 54.000 -0.933 0.000 0.796 583 D CB 0.207 40.742 40.800 -0.443 0.000 1.131 583 D HN 0.745 nan 8.370 nan 0.000 0.467 584 G N -0.103 107.570 108.800 -1.879 0.000 2.545 584 G HA2 -0.074 3.839 3.960 -0.078 0.000 0.195 584 G HA3 -0.074 3.839 3.960 -0.078 0.000 0.195 584 G C 0.270 175.065 174.900 -0.175 0.000 1.009 584 G CA 0.190 44.820 45.100 -0.783 0.000 0.703 584 G HN 0.974 nan 8.290 nan 0.000 0.479 585 T N -2.180 112.204 114.554 -0.283 0.000 2.868 585 T HA 0.932 5.235 4.350 -0.078 0.000 0.306 585 T C 0.180 174.972 174.700 0.154 0.000 1.224 585 T CA 0.517 62.688 62.100 0.119 0.000 1.012 585 T CB 2.256 71.161 68.868 0.061 0.000 1.221 585 T HN 2.104 nan 8.240 nan 0.000 0.499 586 G N 0.357 109.304 108.800 0.245 0.000 2.455 586 G HA2 0.443 4.356 3.960 -0.078 0.000 0.223 586 G HA3 0.443 4.356 3.960 -0.078 0.000 0.223 586 G C -2.149 172.839 174.900 0.146 0.000 1.226 586 G CA -0.096 45.109 45.100 0.175 0.000 0.948 586 G HN 1.352 nan 8.290 nan 0.000 0.478 587 I N 1.225 121.850 120.570 0.092 0.000 2.478 587 I HA 0.722 4.845 4.170 -0.078 0.000 0.287 587 I C 0.500 176.617 176.117 -0.000 0.000 1.042 587 I CA -0.163 61.155 61.300 0.030 0.000 1.067 587 I CB 1.383 39.375 38.000 -0.012 0.000 1.233 587 I HN 1.194 nan 8.210 nan 0.000 0.431 588 G N 6.762 115.544 108.800 -0.030 0.000 2.353 588 G HA2 0.320 4.233 3.960 -0.078 0.000 0.239 588 G HA3 0.320 4.233 3.960 -0.078 0.000 0.239 588 G C 0.102 175.042 174.900 0.066 0.000 1.295 588 G CA -0.413 44.686 45.100 -0.002 0.000 0.884 588 G HN 0.631 nan 8.290 nan 0.000 0.537 589 R N 0.550 121.137 120.500 0.145 0.000 2.751 589 R HA 0.448 4.741 4.340 -0.078 0.000 0.217 589 R C -0.203 176.185 176.300 0.148 0.000 1.436 589 R CA -1.187 54.984 56.100 0.118 0.000 1.006 589 R CB -0.345 29.956 30.300 0.002 0.000 2.065 589 R HN 0.311 nan 8.270 nan 0.000 0.525 590 L N 0.976 122.148 121.223 -0.086 0.000 2.349 590 L HA 0.197 4.490 4.340 -0.078 0.000 0.275 590 L C -0.563 176.317 176.870 0.018 0.000 1.115 590 L CA -0.103 54.647 54.840 -0.150 0.000 0.820 590 L CB 0.150 42.058 42.059 -0.251 0.000 1.135 590 L HN 0.384 nan 8.230 nan 0.000 0.445 591 W N 5.809 126.983 121.300 -0.211 0.000 2.322 591 W HA 0.418 5.030 4.660 -0.079 0.000 0.321 591 W C -1.175 175.269 176.519 -0.125 0.000 0.991 591 W CA -1.896 55.331 57.345 -0.196 0.000 1.448 591 W CB 0.569 29.870 29.460 -0.264 0.000 1.239 591 W HN 0.462 nan 8.180 nan 0.000 0.399 592 P HA -0.275 nan 4.420 nan 0.000 0.218 592 P C 1.431 178.770 177.300 0.066 0.000 1.146 592 P CA 1.542 64.668 63.100 0.042 0.000 0.820 592 P CB 0.207 31.895 31.700 -0.018 0.000 0.778 593 L N -3.098 118.124 121.223 -0.001 0.000 2.265 593 L HA -0.068 4.225 4.340 -0.078 0.000 0.215 593 L C 2.335 179.201 176.870 -0.006 0.000 1.117 593 L CA 1.649 56.462 54.840 -0.045 0.000 0.782 593 L CB -2.019 39.868 42.059 -0.287 0.000 0.914 593 L HN -0.167 nan 8.230 nan 0.000 0.441 594 L N -0.632 120.612 121.223 0.035 0.000 2.217 594 L HA -0.067 4.226 4.340 -0.078 0.000 0.211 594 L C 2.478 179.290 176.870 -0.096 0.000 1.107 594 L CA 0.875 55.693 54.840 -0.038 0.000 0.783 594 L CB -0.564 41.502 42.059 0.011 0.000 0.919 594 L HN 0.329 nan 8.230 nan 0.000 0.442 595 S N 0.116 115.890 115.700 0.124 0.000 2.368 595 S HA -0.088 4.335 4.470 -0.078 0.000 0.224 595 S C 2.074 176.730 174.600 0.092 0.000 1.029 595 S CA 1.168 59.517 58.200 0.249 0.000 0.988 595 S CB -0.420 63.022 63.200 0.404 0.000 0.838 595 S HN 0.587 nan 8.310 nan 0.000 0.462 596 G N 1.422 110.268 108.800 0.076 0.000 2.422 596 G HA2 -0.196 3.717 3.960 -0.078 0.000 0.218 596 G HA3 -0.196 3.717 3.960 -0.078 0.000 0.218 596 G C 1.270 176.127 174.900 -0.072 0.000 1.146 596 G CA 0.628 45.748 45.100 0.033 0.000 0.769 596 G HN 0.497 nan 8.290 nan 0.000 0.547 597 E N -0.034 120.106 120.200 -0.101 0.000 2.047 597 E HA -0.135 4.168 4.350 -0.078 0.000 0.191 597 E C 2.599 179.036 176.600 -0.272 0.000 0.987 597 E CA 0.961 57.271 56.400 -0.151 0.000 0.799 597 E CB -0.091 29.514 29.700 -0.159 0.000 0.752 597 E HN 0.276 nan 8.360 nan 0.000 0.449 598 R N 1.001 121.237 120.500 -0.439 0.000 2.096 598 R HA -0.088 4.205 4.340 -0.078 0.000 0.235 598 R C 2.149 178.055 176.300 -0.657 0.000 1.127 598 R CA 1.730 57.503 56.100 -0.546 0.000 0.968 598 R CB -0.941 28.906 30.300 -0.755 0.000 0.861 598 R HN 0.188 nan 8.270 nan 0.000 0.440 599 G N 0.064 108.343 108.800 -0.868 0.000 2.432 599 G HA2 -0.226 3.687 3.960 -0.078 0.000 0.219 599 G HA3 -0.226 3.687 3.960 -0.078 0.000 0.219 599 G C 1.195 175.884 174.900 -0.352 0.000 1.135 599 G CA 0.676 45.202 45.100 -0.956 0.000 0.767 599 G HN 0.460 nan 8.290 nan 0.000 0.550 600 E N -0.842 119.238 120.200 -0.199 0.000 2.152 600 E HA -0.086 4.217 4.350 -0.078 0.000 0.192 600 E C 1.955 178.530 176.600 -0.042 0.000 0.983 600 E CA 0.508 56.859 56.400 -0.083 0.000 0.818 600 E CB -0.146 29.532 29.700 -0.036 0.000 0.758 600 E HN 0.655 nan 8.360 nan 0.000 0.467 601 Y N 1.076 121.271 120.300 -0.174 0.000 2.220 601 Y HA -0.142 4.362 4.550 -0.078 0.000 0.291 601 Y C 2.207 178.062 175.900 -0.075 0.000 1.129 601 Y CA 1.373 59.410 58.100 -0.105 0.000 1.161 601 Y CB -0.137 38.249 38.460 -0.123 0.000 0.997 601 Y HN -0.025 nan 8.280 nan 0.000 0.522 602 A N 0.562 123.282 122.820 -0.167 0.000 1.877 602 A HA -0.202 4.071 4.320 -0.078 0.000 0.216 602 A C 2.163 179.670 177.584 -0.129 0.000 1.186 602 A CA 1.742 53.688 52.037 -0.152 0.000 0.620 602 A CB -1.306 17.693 19.000 -0.002 0.000 0.822 602 A HN 0.579 nan 8.150 nan 0.000 0.443 603 L N -0.064 121.105 121.223 -0.091 0.000 2.042 603 L HA -0.134 4.159 4.340 -0.078 0.000 0.210 603 L C 2.626 179.453 176.870 -0.072 0.000 1.076 603 L CA 2.329 57.138 54.840 -0.051 0.000 0.749 603 L CB -0.645 41.393 42.059 -0.036 0.000 0.893 603 L HN 0.349 nan 8.230 nan 0.000 0.432 604 A N -0.909 121.849 122.820 -0.102 0.000 2.024 604 A HA -0.179 4.094 4.320 -0.078 0.000 0.220 604 A C 1.836 179.349 177.584 -0.118 0.000 1.164 604 A CA 1.748 53.731 52.037 -0.090 0.000 0.643 604 A CB -0.681 18.275 19.000 -0.074 0.000 0.806 604 A HN 0.656 nan 8.150 nan 0.000 0.451 605 N N -0.738 117.850 118.700 -0.187 0.000 2.276 605 N HA 0.177 4.870 4.740 -0.078 0.000 0.212 605 N C 0.938 176.398 175.510 -0.083 0.000 1.127 605 N CA 0.816 53.769 53.050 -0.163 0.000 0.834 605 N CB 0.446 38.771 38.487 -0.271 0.000 1.014 605 N HN 0.583 nan 8.380 nan 0.000 0.491 606 G N 1.186 109.951 108.800 -0.058 0.000 2.153 606 G HA2 -0.286 3.627 3.960 -0.078 0.000 0.252 606 G HA3 -0.286 3.627 3.960 -0.078 0.000 0.252 606 G C 0.058 174.954 174.900 -0.007 0.000 0.994 606 G CA 0.187 45.271 45.100 -0.026 0.000 0.698 606 G HN 0.401 nan 8.290 nan 0.000 0.521 607 Q N -0.427 119.373 119.800 -0.001 0.000 2.180 607 Q HA 0.489 4.782 4.340 -0.078 0.000 0.241 607 Q C -0.354 175.685 176.000 0.065 0.000 0.970 607 Q CA -0.802 55.026 55.803 0.041 0.000 0.919 607 Q CB 0.883 29.664 28.738 0.072 0.000 1.222 607 Q HN 0.200 nan 8.270 nan 0.000 0.482 608 D N -0.245 120.206 120.400 0.084 0.000 2.339 608 D HA 0.178 4.771 4.640 -0.078 0.000 0.256 608 D C -0.305 176.094 176.300 0.164 0.000 1.214 608 D CA 0.072 54.124 54.000 0.085 0.000 0.877 608 D CB 1.179 42.012 40.800 0.056 0.000 1.111 608 D HN 0.594 nan 8.370 nan 0.000 0.478 609 A N 4.837 127.755 122.820 0.162 0.000 2.238 609 A HA 0.026 4.299 4.320 -0.078 0.000 0.210 609 A C 2.050 179.772 177.584 0.230 0.000 1.179 609 A CA -0.153 52.059 52.037 0.292 0.000 0.827 609 A CB -0.184 18.903 19.000 0.145 0.000 0.856 609 A HN 0.627 nan 8.150 nan 0.000 0.488 610 L N 0.627 121.913 121.223 0.105 0.000 2.043 610 L HA -0.142 4.151 4.340 -0.078 0.000 0.212 610 L C -0.385 176.516 176.870 0.051 0.000 1.075 610 L CA 2.527 57.403 54.840 0.060 0.000 0.752 610 L CB -2.076 40.002 42.059 0.031 0.000 0.891 610 L HN 0.286 nan 8.230 nan 0.000 0.432 611 P HA -0.203 nan 4.420 nan 0.000 0.218 611 P C 1.430 178.655 177.300 -0.125 0.000 1.149 611 P CA 1.530 64.564 63.100 -0.111 0.000 0.817 611 P CB -0.157 31.406 31.700 -0.229 0.000 0.785 612 Y N -0.198 120.155 120.300 0.089 0.000 2.293 612 Y HA -0.061 4.442 4.550 -0.078 0.000 0.291 612 Y C 2.688 178.655 175.900 0.111 0.000 1.137 612 Y CA 0.799 58.965 58.100 0.109 0.000 1.202 612 Y CB -1.340 37.173 38.460 0.088 0.000 0.990 612 Y HN -0.185 nan 8.280 nan 0.000 0.537 613 L N -0.434 120.911 121.223 0.203 0.000 2.093 613 L HA -0.173 4.120 4.340 -0.078 0.000 0.208 613 L C 2.373 179.432 176.870 0.316 0.000 1.085 613 L CA 1.094 56.035 54.840 0.168 0.000 0.755 613 L CB -0.385 41.670 42.059 -0.007 0.000 0.904 613 L HN 0.191 nan 8.230 nan 0.000 0.435 614 E N -0.180 120.144 120.200 0.207 0.000 2.058 614 E HA -0.183 4.120 4.350 -0.078 0.000 0.194 614 E C 2.169 178.886 176.600 0.195 0.000 0.997 614 E CA 1.865 58.386 56.400 0.201 0.000 0.801 614 E CB -0.424 29.338 29.700 0.104 0.000 0.746 614 E HN 0.448 nan 8.360 nan 0.000 0.450 615 T N 1.522 116.166 114.554 0.150 0.000 2.746 615 T HA -0.104 4.199 4.350 -0.078 0.000 0.267 615 T C 2.019 176.811 174.700 0.155 0.000 1.039 615 T CA 1.177 63.352 62.100 0.124 0.000 1.142 615 T CB -0.144 68.801 68.868 0.129 0.000 0.866 615 T HN 0.122 nan 8.240 nan 0.000 0.444 616 M N 0.368 120.112 119.600 0.241 0.000 2.159 616 M HA -0.125 4.308 4.480 -0.078 0.000 0.263 616 M C 2.326 178.750 176.300 0.207 0.000 1.063 616 M CA 1.457 56.909 55.300 0.254 0.000 1.110 616 M CB -0.501 32.344 32.600 0.408 0.000 1.374 616 M HN 0.400 nan 8.290 nan 0.000 0.411 617 H N -0.251 118.924 119.070 0.175 0.000 2.502 617 H HA -0.035 4.474 4.556 -0.078 0.000 0.283 617 H C 1.956 177.288 175.328 0.007 0.000 1.015 617 H CA 1.565 57.647 56.048 0.057 0.000 1.298 617 H CB 0.337 30.163 29.762 0.107 0.000 1.411 617 H HN 0.386 nan 8.280 nan 0.000 0.556 618 S N -0.142 115.483 115.700 -0.124 0.000 2.515 618 S HA 0.064 4.487 4.470 -0.078 0.000 0.231 618 S C 2.051 176.541 174.600 -0.185 0.000 0.987 618 S CA 0.445 58.532 58.200 -0.188 0.000 0.936 618 S CB -0.062 63.103 63.200 -0.057 0.000 0.766 618 S HN 0.459 nan 8.310 nan 0.000 0.528 619 A N 0.813 123.547 122.820 -0.143 0.000 2.178 619 A HA 0.722 4.995 4.320 -0.078 0.000 0.211 619 A C 1.188 178.674 177.584 -0.163 0.000 1.157 619 A CA 0.319 52.281 52.037 -0.124 0.000 0.780 619 A CB -0.578 18.374 19.000 -0.079 0.000 0.828 619 A HN 0.754 nan 8.150 nan 0.000 0.476 620 A N 1.023 123.703 122.820 -0.233 0.000 2.304 620 A HA 0.522 4.795 4.320 -0.078 0.000 0.271 620 A C 0.335 177.766 177.584 -0.253 0.000 1.091 620 A CA -0.327 51.575 52.037 -0.226 0.000 0.812 620 A CB 0.121 18.995 19.000 -0.211 0.000 1.056 620 A HN 0.587 nan 8.150 nan 0.000 0.489 621 N N 0.261 118.844 118.700 -0.194 0.000 2.476 621 N HA 0.449 5.142 4.740 -0.078 0.000 0.287 621 N C 0.888 176.266 175.510 -0.219 0.000 1.262 621 N CA -0.010 52.935 53.050 -0.175 0.000 0.980 621 N CB 0.161 38.575 38.487 -0.122 0.000 1.163 621 N HN 0.561 nan 8.380 nan 0.000 0.592 622 A N -1.080 121.646 122.820 -0.156 0.000 2.076 622 A HA 0.002 4.275 4.320 -0.078 0.000 0.220 622 A C 1.826 179.375 177.584 -0.057 0.000 1.160 622 A CA 1.733 53.683 52.037 -0.145 0.000 0.653 622 A CB -1.547 17.430 19.000 -0.039 0.000 0.801 622 A HN 0.810 nan 8.150 nan 0.000 0.455 623 G N -3.773 105.050 108.800 0.038 0.000 2.813 623 G HA2 0.211 4.124 3.960 -0.078 0.000 0.209 623 G HA3 0.211 4.124 3.960 -0.078 0.000 0.209 623 G C 0.434 175.590 174.900 0.427 0.000 1.150 623 G CA 0.570 45.849 45.100 0.298 0.000 0.785 623 G HN 0.541 nan 8.290 nan 0.000 0.535 624 Y N -2.113 118.228 120.300 0.068 0.000 4.786 624 Y HA -0.174 4.329 4.550 -0.078 0.000 0.243 624 Y C 0.914 176.797 175.900 -0.028 0.000 1.027 624 Y CA -0.074 58.050 58.100 0.039 0.000 2.052 624 Y CB -1.990 36.509 38.460 0.065 0.000 1.578 624 Y HN 0.157 nan 8.280 nan 0.000 0.655 625 M N 1.580 121.203 119.600 0.039 0.000 2.143 625 M HA 0.243 4.676 4.480 -0.078 0.000 0.348 625 M C 0.213 176.469 176.300 -0.073 0.000 1.375 625 M CA 0.106 55.388 55.300 -0.031 0.000 1.124 625 M CB 0.071 32.619 32.600 -0.087 0.000 1.669 625 M HN 0.025 nan 8.290 nan 0.000 0.469 626 I N 7.378 127.905 120.570 -0.072 0.000 2.352 626 I HA 0.332 4.455 4.170 -0.078 0.000 0.290 626 I C -1.864 174.175 176.117 -0.131 0.000 1.036 626 I CA -2.229 59.015 61.300 -0.092 0.000 1.336 626 I CB 0.725 38.690 38.000 -0.059 0.000 1.407 626 I HN 0.313 nan 8.210 nan 0.000 0.497 627 P HA 0.223 nan 4.420 nan 0.000 0.283 627 P C 0.411 177.509 177.300 -0.337 0.000 1.278 627 P CA -0.454 62.498 63.100 -0.245 0.000 0.834 627 P CB 1.696 33.245 31.700 -0.253 0.000 1.150 628 E N 0.123 120.045 120.200 -0.463 0.000 2.106 628 E HA -0.126 4.177 4.350 -0.078 0.000 0.192 628 E C 0.083 176.087 176.600 -0.992 0.000 0.984 628 E CA 1.067 57.016 56.400 -0.752 0.000 0.806 628 E CB 0.277 29.487 29.700 -0.817 0.000 0.750 628 E HN 0.444 nan 8.360 nan 0.000 0.458 629 Q N 0.032 119.403 119.800 -0.715 0.000 2.416 629 Q HA 0.453 4.746 4.340 -0.078 0.000 0.281 629 Q C -1.319 174.497 176.000 -0.306 0.000 1.067 629 Q CA -0.851 54.606 55.803 -0.577 0.000 0.809 629 Q CB 2.929 31.330 28.738 -0.561 0.000 1.418 629 Q HN 0.099 nan 8.270 nan 0.000 0.411 630 V N -2.566 117.230 119.914 -0.196 0.000 2.823 630 V HA 0.566 4.639 4.120 -0.078 0.000 0.312 630 V C -0.486 175.608 176.094 0.001 0.000 1.072 630 V CA -1.038 61.209 62.300 -0.089 0.000 0.937 630 V CB 1.902 33.676 31.823 -0.082 0.000 1.013 630 V HN 0.900 nan 8.190 nan 0.000 0.430 631 W N 4.198 125.400 121.300 -0.164 0.000 2.209 631 W HA 0.188 4.801 4.660 -0.079 0.000 0.344 631 W C 0.118 176.589 176.519 -0.079 0.000 1.285 631 W CA 0.911 58.176 57.345 -0.135 0.000 1.267 631 W CB 1.266 30.657 29.460 -0.115 0.000 1.167 631 W HN 1.019 nan 8.180 nan 0.000 0.574 632 D N 2.921 122.946 120.400 -0.625 0.000 2.503 632 D HA 0.123 4.716 4.640 -0.078 0.000 0.218 632 D C 0.106 176.115 176.300 -0.484 0.000 1.183 632 D CA -0.029 53.711 54.000 -0.433 0.000 0.827 632 D CB 0.095 40.737 40.800 -0.262 0.000 1.034 632 D HN 0.061 nan 8.370 nan 0.000 0.510 633 R N 0.605 120.630 120.500 -0.791 0.000 2.711 633 R HA 0.298 4.591 4.340 -0.078 0.000 0.284 633 R C 0.226 176.577 176.300 0.084 0.000 0.968 633 R CA -0.583 55.326 56.100 -0.319 0.000 0.924 633 R CB 1.319 31.439 30.300 -0.299 0.000 1.162 633 R HN -0.133 nan 8.270 nan 0.000 0.465 634 D N 1.129 121.583 120.400 0.090 0.000 2.224 634 D HA -0.085 4.508 4.640 -0.078 0.000 0.205 634 D C 0.012 176.430 176.300 0.196 0.000 0.965 634 D CA 1.195 55.272 54.000 0.128 0.000 0.852 634 D CB 0.519 41.358 40.800 0.065 0.000 0.947 634 D HN 0.438 nan 8.370 nan 0.000 0.494 635 E N 2.340 122.688 120.200 0.246 0.000 2.229 635 E HA 0.222 4.525 4.350 -0.078 0.000 0.283 635 E C -2.394 174.413 176.600 0.346 0.000 1.030 635 E CA -2.102 54.445 56.400 0.244 0.000 0.836 635 E CB 0.884 30.704 29.700 0.199 0.000 1.068 635 E HN 0.080 nan 8.360 nan 0.000 0.401 636 P HA 0.046 nan 4.420 nan 0.000 0.295 636 P C 0.318 177.615 177.300 -0.005 0.000 1.354 636 P CA -0.257 62.858 63.100 0.024 0.000 0.814 636 P CB 0.935 32.626 31.700 -0.016 0.000 0.935 637 T N 0.324 114.860 114.554 -0.030 0.000 2.895 637 T HA -0.039 4.264 4.350 -0.078 0.000 0.386 637 T C 1.735 176.369 174.700 -0.109 0.000 1.112 637 T CA 0.638 62.744 62.100 0.011 0.000 1.070 637 T CB -0.792 68.144 68.868 0.114 0.000 1.319 637 T HN 0.362 nan 8.240 nan 0.000 0.519 638 S N -1.149 114.459 115.700 -0.154 0.000 2.469 638 S HA -0.017 4.406 4.470 -0.078 0.000 0.238 638 S C 0.327 174.624 174.600 -0.505 0.000 0.998 638 S CA 0.062 58.066 58.200 -0.326 0.000 0.957 638 S CB -1.050 61.903 63.200 -0.412 0.000 0.764 638 S HN 0.651 nan 8.310 nan 0.000 0.514 639 Y N 0.920 121.013 120.300 -0.344 0.000 2.326 639 Y HA 0.577 5.080 4.550 -0.078 0.000 0.324 639 Y C 1.608 177.204 175.900 -0.506 0.000 1.291 639 Y CA -0.525 57.292 58.100 -0.471 0.000 1.348 639 Y CB 0.427 38.434 38.460 -0.756 0.000 1.294 639 Y HN 0.063 nan 8.280 nan 0.000 0.525 640 G N 0.221 108.878 108.800 -0.239 0.000 3.471 640 G HA2 0.037 3.950 3.960 -0.078 0.000 0.254 640 G HA3 0.037 3.950 3.960 -0.078 0.000 0.254 640 G C -0.469 174.334 174.900 -0.162 0.000 1.199 640 G CA -0.285 44.708 45.100 -0.178 0.000 1.683 640 G HN 0.717 nan 8.290 nan 0.000 0.625 641 H N 0.584 119.456 119.070 -0.330 0.000 2.848 641 H HA 0.224 4.733 4.556 -0.079 0.000 0.341 641 H C -0.123 174.981 175.328 -0.374 0.000 1.060 641 H CA 0.019 55.719 56.048 -0.580 0.000 1.444 641 H CB 1.290 30.157 29.762 -1.492 0.000 1.446 641 H HN 0.138 nan 8.280 nan 0.000 0.583 642 E N 2.795 122.967 120.200 -0.047 0.000 2.210 642 E HA 0.136 4.439 4.350 -0.078 0.000 0.266 642 E C -0.590 176.140 176.600 0.217 0.000 0.883 642 E CA -0.894 55.551 56.400 0.076 0.000 0.761 642 E CB 2.100 31.816 29.700 0.026 0.000 1.156 642 E HN 0.466 nan 8.360 nan 0.000 0.412 643 L N 2.613 123.996 121.223 0.267 0.000 2.540 643 L HA 0.038 4.331 4.340 -0.078 0.000 0.276 643 L C 1.132 178.057 176.870 0.092 0.000 1.212 643 L CA 1.649 56.619 54.840 0.215 0.000 0.893 643 L CB 0.068 42.201 42.059 0.123 0.000 1.138 643 L HN 0.996 nan 8.230 nan 0.000 0.491 644 G N 3.607 112.439 108.800 0.054 0.000 2.184 644 G HA2 -0.239 3.674 3.960 -0.078 0.000 0.264 644 G HA3 -0.239 3.674 3.960 -0.078 0.000 0.264 644 G C 0.304 175.190 174.900 -0.023 0.000 0.975 644 G CA -0.029 45.066 45.100 -0.008 0.000 0.642 644 G HN 0.546 nan 8.290 nan 0.000 0.536 645 R N 0.434 120.940 120.500 0.009 0.000 2.643 645 R HA 0.675 4.968 4.340 -0.078 0.000 0.272 645 R C 0.605 176.878 176.300 -0.046 0.000 0.995 645 R CA -0.335 55.746 56.100 -0.032 0.000 1.032 645 R CB 0.930 31.215 30.300 -0.024 0.000 1.126 645 R HN 0.249 nan 8.270 nan 0.000 0.505 646 S N 0.452 116.097 115.700 -0.093 0.000 2.558 646 S HA 0.013 4.436 4.470 -0.078 0.000 0.291 646 S C 0.618 175.140 174.600 -0.130 0.000 1.306 646 S CA 0.112 58.231 58.200 -0.134 0.000 1.056 646 S CB 0.264 63.370 63.200 -0.157 0.000 0.836 646 S HN 0.590 nan 8.310 nan 0.000 0.504 647 T N 2.086 116.534 114.554 -0.177 0.000 2.924 647 T HA 0.500 4.803 4.350 -0.078 0.000 0.301 647 T C 1.487 176.060 174.700 -0.212 0.000 1.120 647 T CA -0.079 61.912 62.100 -0.182 0.000 0.940 647 T CB -0.078 68.712 68.868 -0.130 0.000 1.591 647 T HN 0.633 nan 8.240 nan 0.000 0.578 648 G N 0.183 108.879 108.800 -0.173 0.000 2.813 648 G HA2 0.236 4.149 3.960 -0.078 0.000 0.209 648 G HA3 0.236 4.149 3.960 -0.078 0.000 0.209 648 G C 0.826 175.176 174.900 -0.917 0.000 1.150 648 G CA 0.323 45.239 45.100 -0.307 0.000 0.785 648 G HN 0.937 nan 8.290 nan 0.000 0.535 649 S N 0.221 115.264 115.700 -1.095 0.000 2.598 649 S HA 0.653 5.076 4.470 -0.078 0.000 0.267 649 S C 0.726 174.846 174.600 -0.799 0.000 1.189 649 S CA -0.136 57.255 58.200 -1.349 0.000 1.010 649 S CB 0.751 63.119 63.200 -1.387 0.000 1.084 649 S HN 0.649 nan 8.310 nan 0.000 0.541 650 A N 0.389 122.740 122.820 -0.782 0.000 2.566 650 A HA 0.466 4.739 4.320 -0.078 0.000 0.245 650 A C 0.348 177.719 177.584 -0.356 0.000 1.056 650 A CA 0.170 51.896 52.037 -0.518 0.000 0.757 650 A CB -0.786 17.937 19.000 -0.461 0.000 0.979 650 A HN 1.050 nan 8.150 nan 0.000 0.508 651 S N 4.159 119.705 115.700 -0.255 0.000 2.616 651 S HA 0.544 4.967 4.470 -0.078 0.000 0.276 651 S C -3.160 171.358 174.600 -0.137 0.000 1.159 651 S CA -0.914 57.168 58.200 -0.196 0.000 1.000 651 S CB 1.530 64.602 63.200 -0.213 0.000 1.117 651 S HN 0.600 nan 8.310 nan 0.000 0.464 652 P HA 0.334 nan 4.420 nan 0.000 0.278 652 P C -0.955 176.303 177.300 -0.070 0.000 1.238 652 P CA -0.701 62.353 63.100 -0.078 0.000 0.794 652 P CB 0.902 32.582 31.700 -0.033 0.000 0.955 653 L N 2.709 123.868 121.223 -0.107 0.000 2.257 653 L HA 0.241 4.534 4.340 -0.078 0.000 0.290 653 L C 1.710 178.515 176.870 -0.108 0.000 1.044 653 L CA 0.308 55.099 54.840 -0.081 0.000 0.810 653 L CB 0.489 42.481 42.059 -0.111 0.000 1.193 653 L HN 0.384 nan 8.230 nan 0.000 0.425 654 S N 4.864 120.415 115.700 -0.249 0.000 2.380 654 S HA -0.239 4.184 4.470 -0.078 0.000 0.229 654 S C 1.497 176.067 174.600 -0.049 0.000 1.043 654 S CA 1.971 59.954 58.200 -0.363 0.000 1.038 654 S CB -0.402 62.446 63.200 -0.586 0.000 0.872 654 S HN 0.863 nan 8.310 nan 0.000 0.456 655 W N 2.287 123.482 121.300 -0.174 0.000 2.335 655 W HA -0.097 4.516 4.660 -0.079 0.000 0.311 655 W C 2.494 178.979 176.519 -0.057 0.000 1.213 655 W CA 1.583 58.865 57.345 -0.105 0.000 1.274 655 W CB -1.340 28.081 29.460 -0.065 0.000 1.148 655 W HN 0.378 nan 8.180 nan 0.000 0.498 656 A N -0.259 122.615 122.820 0.089 0.000 1.930 656 A HA -0.169 4.104 4.320 -0.078 0.000 0.217 656 A C 1.951 179.578 177.584 0.071 0.000 1.175 656 A CA 2.022 54.053 52.037 -0.009 0.000 0.627 656 A CB -0.811 18.125 19.000 -0.107 0.000 0.815 656 A HN 0.267 nan 8.150 nan 0.000 0.443 657 M N 0.008 119.629 119.600 0.035 0.000 2.086 657 M HA -0.023 4.410 4.480 -0.078 0.000 0.261 657 M C 2.287 178.635 176.300 0.079 0.000 1.067 657 M CA 1.547 56.866 55.300 0.031 0.000 1.116 657 M CB -0.683 31.894 32.600 -0.038 0.000 1.348 657 M HN 0.415 nan 8.290 nan 0.000 0.407 658 A N -1.047 121.810 122.820 0.062 0.000 1.902 658 A HA -0.228 4.045 4.320 -0.078 0.000 0.217 658 A C 2.074 179.711 177.584 0.089 0.000 1.181 658 A CA 1.942 54.001 52.037 0.038 0.000 0.623 658 A CB -0.875 18.116 19.000 -0.015 0.000 0.818 658 A HN 0.537 nan 8.150 nan 0.000 0.443 659 Q N -1.517 118.386 119.800 0.172 0.000 2.226 659 Q HA -0.188 4.105 4.340 -0.078 0.000 0.204 659 Q C 1.663 177.743 176.000 0.133 0.000 0.975 659 Q CA 2.076 57.976 55.803 0.162 0.000 0.866 659 Q CB -0.646 28.210 28.738 0.196 0.000 0.915 659 Q HN 0.756 nan 8.270 nan 0.000 0.440 660 Y N -0.946 119.392 120.300 0.062 0.000 2.184 660 Y HA -0.097 4.406 4.550 -0.078 0.000 0.290 660 Y C 1.869 177.826 175.900 0.095 0.000 1.129 660 Y CA 1.523 59.673 58.100 0.083 0.000 1.144 660 Y CB -0.167 38.343 38.460 0.083 0.000 0.995 660 Y HN -0.024 nan 8.280 nan 0.000 0.513 661 V N 0.930 120.965 119.914 0.202 0.000 2.343 661 V HA -0.287 3.786 4.120 -0.078 0.000 0.247 661 V C 2.513 178.657 176.094 0.084 0.000 1.051 661 V CA 2.297 64.655 62.300 0.098 0.000 1.036 661 V CB -0.670 31.098 31.823 -0.092 0.000 0.654 661 V HN 0.334 nan 8.190 nan 0.000 0.451 662 R N -0.521 119.995 120.500 0.028 0.000 2.096 662 R HA -0.164 4.129 4.340 -0.078 0.000 0.235 662 R C 2.228 178.525 176.300 -0.005 0.000 1.127 662 R CA 1.600 57.701 56.100 0.003 0.000 0.968 662 R CB -0.265 30.020 30.300 -0.026 0.000 0.861 662 R HN 0.445 nan 8.270 nan 0.000 0.440 663 L N 0.386 121.591 121.223 -0.031 0.000 2.072 663 L HA 0.034 4.327 4.340 -0.078 0.000 0.205 663 L C 2.198 179.025 176.870 -0.071 0.000 1.079 663 L CA 2.026 56.832 54.840 -0.057 0.000 0.752 663 L CB -0.736 41.275 42.059 -0.081 0.000 0.906 663 L HN 0.176 nan 8.230 nan 0.000 0.436 664 A N -0.124 122.632 122.820 -0.107 0.000 1.892 664 A HA -0.210 4.063 4.320 -0.078 0.000 0.218 664 A C 2.466 180.033 177.584 -0.027 0.000 1.188 664 A CA 2.235 54.223 52.037 -0.082 0.000 0.631 664 A CB -1.304 17.715 19.000 0.032 0.000 0.822 664 A HN 0.604 nan 8.150 nan 0.000 0.447 665 A N -0.694 122.152 122.820 0.045 0.000 1.933 665 A HA 0.140 4.413 4.320 -0.078 0.000 0.218 665 A C 2.423 180.003 177.584 -0.008 0.000 1.175 665 A CA 1.895 53.948 52.037 0.027 0.000 0.628 665 A CB -1.378 17.658 19.000 0.060 0.000 0.814 665 A HN 0.790 nan 8.150 nan 0.000 0.444 666 G N -0.530 108.264 108.800 -0.011 0.000 2.422 666 G HA2 -0.123 3.790 3.960 -0.078 0.000 0.218 666 G HA3 -0.123 3.790 3.960 -0.078 0.000 0.218 666 G C 1.490 176.377 174.900 -0.020 0.000 1.146 666 G CA 1.217 46.307 45.100 -0.016 0.000 0.769 666 G HN 0.316 nan 8.290 nan 0.000 0.547 667 V N 0.843 120.740 119.914 -0.028 0.000 2.343 667 V HA -0.168 3.905 4.120 -0.078 0.000 0.247 667 V C 2.678 178.753 176.094 -0.032 0.000 1.051 667 V CA 2.305 64.589 62.300 -0.027 0.000 1.036 667 V CB -0.355 31.447 31.823 -0.036 0.000 0.654 667 V HN 0.500 nan 8.190 nan 0.000 0.451 668 K N 0.390 120.764 120.400 -0.044 0.000 2.097 668 K HA -0.116 4.157 4.320 -0.078 0.000 0.205 668 K C 2.028 178.610 176.600 -0.031 0.000 1.050 668 K CA 1.532 57.791 56.287 -0.046 0.000 0.938 668 K CB -0.245 32.218 32.500 -0.062 0.000 0.718 668 K HN 0.426 nan 8.250 nan 0.000 0.442 669 A N -0.036 122.770 122.820 -0.024 0.000 2.072 669 A HA 0.181 4.454 4.320 -0.078 0.000 0.216 669 A C 1.580 179.156 177.584 -0.014 0.000 1.156 669 A CA 1.071 53.098 52.037 -0.017 0.000 0.701 669 A CB -0.348 18.645 19.000 -0.012 0.000 0.816 669 A HN 0.592 nan 8.150 nan 0.000 0.458 670 G N -2.763 106.028 108.800 -0.014 0.000 2.175 670 G HA2 0.258 4.171 3.960 -0.078 0.000 0.244 670 G HA3 0.258 4.171 3.960 -0.078 0.000 0.244 670 G C 0.215 175.108 174.900 -0.012 0.000 0.982 670 G CA 0.485 45.577 45.100 -0.012 0.000 0.641 670 G HN 1.978 nan 8.290 nan 0.000 0.527 671 A N -0.554 122.259 122.820 -0.011 0.000 2.599 671 A HA 0.796 5.069 4.320 -0.078 0.000 0.294 671 A C -2.955 174.626 177.584 -0.006 0.000 1.055 671 A CA -0.633 51.398 52.037 -0.009 0.000 0.683 671 A CB 1.482 20.480 19.000 -0.004 0.000 1.278 671 A HN 0.347 nan 8.150 nan 0.000 0.412 672 P HA 0.032 nan 4.420 nan 0.000 0.261 672 P C 0.752 178.056 177.300 0.007 0.000 1.183 672 P CA 0.415 63.516 63.100 0.003 0.000 0.761 672 P CB 1.006 32.715 31.700 0.014 0.000 0.785 673 V N 3.093 123.007 119.914 -0.000 0.000 3.041 673 V HA -0.117 3.956 4.120 -0.078 0.000 0.260 673 V C 2.020 178.113 176.094 -0.002 0.000 1.105 673 V CA 1.756 64.055 62.300 -0.002 0.000 1.125 673 V CB -0.774 31.044 31.823 -0.007 0.000 0.730 673 V HN 0.604 nan 8.190 nan 0.000 0.479 674 E N -0.584 119.615 120.200 -0.002 0.000 2.474 674 E HA 0.023 4.326 4.350 -0.078 0.000 0.195 674 E C 0.640 177.272 176.600 0.053 0.000 1.039 674 E CA 0.040 56.440 56.400 0.001 0.000 0.881 674 E CB -0.557 29.114 29.700 -0.048 0.000 0.970 674 E HN 0.465 nan 8.360 nan 0.000 0.486 675 T N 5.777 120.366 114.554 0.058 0.000 2.867 675 T HA 0.106 4.409 4.350 -0.078 0.000 0.297 675 T C -2.334 172.414 174.700 0.081 0.000 0.989 675 T CA -0.614 61.536 62.100 0.083 0.000 1.159 675 T CB 0.799 69.710 68.868 0.072 0.000 0.928 675 T HN 0.179 nan 8.240 nan 0.000 0.538 676 P HA 0.108 nan 4.420 nan 0.000 0.269 676 P C 0.521 177.864 177.300 0.072 0.000 1.263 676 P CA -0.057 63.098 63.100 0.092 0.000 0.813 676 P CB 0.658 32.427 31.700 0.116 0.000 0.868 677 Q N 2.915 122.744 119.800 0.049 0.000 2.112 677 Q HA -0.220 4.073 4.340 -0.078 0.000 0.206 677 Q C 1.854 177.867 176.000 0.022 0.000 0.987 677 Q CA 1.943 57.765 55.803 0.033 0.000 0.858 677 Q CB -0.355 28.395 28.738 0.020 0.000 0.905 677 Q HN 0.575 nan 8.270 nan 0.000 0.420 678 N N 0.266 118.978 118.700 0.020 0.000 2.309 678 N HA -0.108 4.585 4.740 -0.078 0.000 0.182 678 N C 1.621 177.124 175.510 -0.012 0.000 1.018 678 N CA 1.206 54.255 53.050 -0.001 0.000 0.876 678 N CB -0.485 38.004 38.487 0.002 0.000 0.972 678 N HN 0.099 nan 8.380 nan 0.000 0.434 679 V N 1.187 121.121 119.914 0.034 0.000 2.407 679 V HA 0.020 4.093 4.120 -0.078 0.000 0.245 679 V C 2.729 178.866 176.094 0.072 0.000 1.041 679 V CA 1.531 63.872 62.300 0.069 0.000 1.040 679 V CB -0.951 30.970 31.823 0.163 0.000 0.671 679 V HN 0.461 nan 8.190 nan 0.000 0.455 680 A N 0.099 122.970 122.820 0.084 0.000 1.969 680 A HA -0.043 4.230 4.320 -0.078 0.000 0.218 680 A C 2.372 179.973 177.584 0.029 0.000 1.169 680 A CA 1.764 53.854 52.037 0.089 0.000 0.635 680 A CB -0.628 18.419 19.000 0.079 0.000 0.810 680 A HN 0.546 nan 8.150 nan 0.000 0.445 681 A N -0.425 122.387 122.820 -0.012 0.000 1.972 681 A HA -0.144 4.129 4.320 -0.078 0.000 0.219 681 A C 2.227 179.755 177.584 -0.093 0.000 1.169 681 A CA 1.684 53.698 52.037 -0.039 0.000 0.635 681 A CB -0.380 18.595 19.000 -0.042 0.000 0.810 681 A HN 0.556 nan 8.150 nan 0.000 0.446 682 R N -2.608 117.776 120.500 -0.193 0.000 2.112 682 R HA 0.007 4.300 4.340 -0.078 0.000 0.216 682 R C 1.303 177.373 176.300 -0.382 0.000 1.080 682 R CA 1.174 57.046 56.100 -0.380 0.000 0.996 682 R CB -0.035 29.859 30.300 -0.676 0.000 0.902 682 R HN 0.564 nan 8.270 nan 0.000 0.449 683 Y N -1.781 118.533 120.300 0.023 0.000 2.535 683 Y HA 0.406 4.909 4.550 -0.078 0.000 0.264 683 Y C 1.640 177.558 175.900 0.030 0.000 1.087 683 Y CA 0.201 58.315 58.100 0.024 0.000 1.285 683 Y CB 0.412 38.891 38.460 0.032 0.000 1.200 683 Y HN 0.095 nan 8.280 nan 0.000 0.514 684 A N -0.128 122.796 122.820 0.173 0.000 2.348 684 A HA 0.632 4.905 4.320 -0.078 0.000 0.224 684 A C 1.397 179.025 177.584 0.074 0.000 1.227 684 A CA 0.451 52.563 52.037 0.124 0.000 0.885 684 A CB -0.617 18.458 19.000 0.124 0.000 0.933 684 A HN 0.198 nan 8.150 nan 0.000 0.506 685 A N -0.404 122.446 122.820 0.050 0.000 2.445 685 A HA 0.643 4.916 4.320 -0.078 0.000 0.270 685 A C 1.422 179.021 177.584 0.026 0.000 1.495 685 A CA 0.206 52.259 52.037 0.027 0.000 0.840 685 A CB -0.804 18.199 19.000 0.006 0.000 1.472 685 A HN 0.581 nan 8.150 nan 0.000 0.541 686 G N -1.156 107.653 108.800 0.014 0.000 2.830 686 G HA2 0.316 4.229 3.960 -0.078 0.000 0.172 686 G HA3 0.316 4.229 3.960 -0.078 0.000 0.172 686 G C 0.349 175.256 174.900 0.012 0.000 1.782 686 G CA 0.707 45.815 45.100 0.013 0.000 0.900 686 G HN 0.848 nan 8.290 nan 0.000 0.389 687 T N 3.269 117.826 114.554 0.005 0.000 2.723 687 T HA 0.194 4.497 4.350 -0.078 0.000 0.260 687 T C -1.447 173.255 174.700 0.004 0.000 1.019 687 T CA -0.082 62.019 62.100 0.003 0.000 1.155 687 T CB 0.506 69.372 68.868 -0.003 0.000 1.024 687 T HN 0.376 nan 8.240 nan 0.000 0.491 688 P HA 0.531 nan 4.420 nan 0.000 0.282 688 P C -0.668 176.634 177.300 0.004 0.000 1.287 688 P CA -0.738 62.370 63.100 0.014 0.000 0.792 688 P CB 1.012 32.723 31.700 0.019 0.000 1.163 689 L N -0.073 121.155 121.223 0.007 0.000 2.333 689 L HA 0.353 4.646 4.340 -0.078 0.000 0.269 689 L C 0.910 177.782 176.870 0.003 0.000 1.010 689 L CA -0.934 53.905 54.840 -0.001 0.000 0.818 689 L CB 1.879 43.932 42.059 -0.009 0.000 1.306 689 L HN 0.492 nan 8.230 nan 0.000 0.430 690 S N 0.197 115.896 115.700 -0.002 0.000 2.585 690 S HA 0.240 4.663 4.470 -0.078 0.000 0.273 690 S C -0.120 174.480 174.600 0.000 0.000 1.339 690 S CA -0.536 57.663 58.200 -0.001 0.000 1.028 690 S CB 1.464 64.662 63.200 -0.003 0.000 0.906 690 S HN 0.537 nan 8.310 nan 0.000 0.528 691 S N 3.161 118.861 115.700 -0.000 0.000 2.474 691 S HA 0.511 4.934 4.470 -0.078 0.000 0.321 691 S C -2.360 172.240 174.600 0.001 0.000 1.080 691 S CA -1.627 56.574 58.200 0.001 0.000 1.106 691 S CB 0.252 63.452 63.200 -0.001 0.000 0.984 691 S HN 0.767 nan 8.310 nan 0.000 0.464 692 P HA 0.183 nan 4.420 nan 0.000 0.269 692 P C -0.452 176.854 177.300 0.009 0.000 1.215 692 P CA -0.270 62.831 63.100 0.002 0.000 0.780 692 P CB 0.486 32.184 31.700 -0.003 0.000 0.898 693 E N 1.126 121.336 120.200 0.016 0.000 2.354 693 E HA 0.398 4.701 4.350 -0.078 0.000 0.269 693 E C -1.232 175.393 176.600 0.042 0.000 1.036 693 E CA -0.377 56.038 56.400 0.025 0.000 0.876 693 E CB 0.210 29.925 29.700 0.026 0.000 1.009 693 E HN 0.309 nan 8.360 nan 0.000 0.416 694 L N 3.283 124.538 121.223 0.053 0.000 2.516 694 L HA 0.476 4.769 4.340 -0.078 0.000 0.267 694 L C -1.567 175.365 176.870 0.103 0.000 0.957 694 L CA -0.041 54.852 54.840 0.087 0.000 0.860 694 L CB 2.049 44.142 42.059 0.056 0.000 1.265 694 L HN 0.423 nan 8.230 nan 0.000 0.403 695 S N 4.452 120.238 115.700 0.143 0.000 2.774 695 S HA 0.641 5.064 4.470 -0.078 0.000 0.297 695 S C -1.094 173.577 174.600 0.119 0.000 1.143 695 S CA -0.450 57.811 58.200 0.102 0.000 1.090 695 S CB 0.896 64.128 63.200 0.053 0.000 1.019 695 S HN 0.444 nan 8.310 nan 0.000 0.482 696 V N 5.987 125.979 119.914 0.130 0.000 2.372 696 V HA 0.215 4.288 4.120 -0.078 0.000 0.261 696 V C 1.691 177.801 176.094 0.028 0.000 1.055 696 V CA 0.175 62.547 62.300 0.121 0.000 0.930 696 V CB 0.520 32.443 31.823 0.166 0.000 1.031 696 V HN 1.026 nan 8.190 nan 0.000 0.479 697 T N 1.530 116.058 114.554 -0.044 0.000 3.043 697 T HA 0.388 4.691 4.350 -0.078 0.000 0.263 697 T C 0.570 175.253 174.700 -0.028 0.000 1.094 697 T CA 0.623 62.698 62.100 -0.043 0.000 1.127 697 T CB 0.319 69.141 68.868 -0.077 0.000 0.905 697 T HN 0.921 nan 8.240 nan 0.000 0.490 698 A N 1.772 124.576 122.820 -0.027 0.000 2.566 698 A HA 0.723 4.996 4.320 -0.078 0.000 0.297 698 A C -3.021 174.572 177.584 0.015 0.000 1.059 698 A CA -1.711 50.322 52.037 -0.007 0.000 0.691 698 A CB 1.544 20.531 19.000 -0.022 0.000 1.282 698 A HN 0.088 nan 8.150 nan 0.000 0.401 699 P HA 0.341 nan 4.420 nan 0.000 0.297 699 P C -0.317 176.999 177.300 0.028 0.000 1.303 699 P CA -0.077 63.038 63.100 0.025 0.000 0.753 699 P CB 0.750 32.467 31.700 0.028 0.000 1.281 700 E N -1.286 118.930 120.200 0.027 0.000 2.359 700 E HA 0.321 4.624 4.350 -0.078 0.000 0.255 700 E C 1.591 178.211 176.600 0.032 0.000 1.191 700 E CA -0.607 55.810 56.400 0.028 0.000 0.952 700 E CB 0.287 30.002 29.700 0.025 0.000 1.152 700 E HN 0.358 nan 8.360 nan 0.000 0.496 701 A N 0.670 123.510 122.820 0.033 0.000 1.927 701 A HA -0.161 4.112 4.320 -0.078 0.000 0.220 701 A C 0.734 178.336 177.584 0.029 0.000 1.185 701 A CA 1.551 53.609 52.037 0.035 0.000 0.639 701 A CB -0.202 18.819 19.000 0.035 0.000 0.820 701 A HN 0.290 nan 8.150 nan 0.000 0.451 702 L N -0.855 120.384 121.223 0.026 0.000 2.436 702 L HA 0.636 4.929 4.340 -0.078 0.000 0.268 702 L C -0.410 176.478 176.870 0.029 0.000 0.974 702 L CA 0.517 55.371 54.840 0.024 0.000 0.826 702 L CB 2.169 44.241 42.059 0.021 0.000 1.291 702 L HN 0.423 nan 8.230 nan 0.000 0.406 703 S N 1.465 117.183 115.700 0.030 0.000 2.636 703 S HA 0.784 5.207 4.470 -0.078 0.000 0.268 703 S C -1.091 173.536 174.600 0.044 0.000 1.159 703 S CA -0.702 57.524 58.200 0.043 0.000 0.815 703 S CB 1.735 64.961 63.200 0.043 0.000 1.130 703 S HN 0.581 nan 8.310 nan 0.000 0.471 704 T N 1.525 116.124 114.554 0.075 0.000 2.812 704 T HA 0.794 5.097 4.350 -0.078 0.000 0.282 704 T C 0.302 175.074 174.700 0.119 0.000 0.990 704 T CA -0.159 61.989 62.100 0.079 0.000 0.960 704 T CB 1.243 70.208 68.868 0.161 0.000 0.948 704 T HN 1.103 nan 8.240 nan 0.000 0.438 705 A N 1.899 124.782 122.820 0.105 0.000 2.346 705 A HA 0.423 4.696 4.320 -0.078 0.000 0.252 705 A C 0.694 178.436 177.584 0.263 0.000 1.089 705 A CA -0.339 51.789 52.037 0.152 0.000 0.797 705 A CB 0.179 19.259 19.000 0.133 0.000 1.047 705 A HN 0.824 nan 8.150 nan 0.000 0.494 706 D N -0.786 119.753 120.400 0.231 0.000 2.398 706 D HA 0.164 4.757 4.640 -0.078 0.000 0.210 706 D C 0.465 176.914 176.300 0.249 0.000 1.094 706 D CA 1.183 55.339 54.000 0.260 0.000 0.839 706 D CB 0.295 41.181 40.800 0.145 0.000 0.963 706 D HN 0.602 nan 8.370 nan 0.000 0.506 707 S N -1.140 114.706 115.700 0.244 0.000 2.757 707 S HA 0.544 4.967 4.470 -0.078 0.000 0.285 707 S C 0.351 175.057 174.600 0.178 0.000 1.196 707 S CA -0.288 58.051 58.200 0.231 0.000 0.856 707 S CB 1.260 64.531 63.200 0.119 0.000 1.212 707 S HN -0.140 nan 8.310 nan 0.000 0.516 708 A N 0.760 123.606 122.820 0.043 0.000 2.252 708 A HA 0.473 4.746 4.320 -0.078 0.000 0.207 708 A C 0.995 178.426 177.584 -0.256 0.000 1.194 708 A CA 0.990 52.852 52.037 -0.291 0.000 0.809 708 A CB -1.373 17.543 19.000 -0.142 0.000 0.814 708 A HN 1.475 nan 8.150 nan 0.000 0.482 709 T N -4.142 110.341 114.554 -0.119 0.000 2.903 709 T HA 0.747 5.050 4.350 -0.078 0.000 0.299 709 T C -0.724 173.950 174.700 -0.044 0.000 1.093 709 T CA -0.149 61.900 62.100 -0.085 0.000 1.002 709 T CB 1.822 70.665 68.868 -0.043 0.000 1.127 709 T HN 0.934 nan 8.240 nan 0.000 0.488 710 A N 1.517 124.316 122.820 -0.035 0.000 2.414 710 A HA 0.730 5.003 4.320 -0.078 0.000 0.306 710 A C -0.473 177.114 177.584 0.004 0.000 1.054 710 A CA -0.855 51.178 52.037 -0.007 0.000 0.724 710 A CB 1.754 20.748 19.000 -0.009 0.000 1.267 710 A HN 0.932 nan 8.150 nan 0.000 0.418 711 V N 2.371 122.292 119.914 0.011 0.000 2.439 711 V HA 0.277 4.350 4.120 -0.078 0.000 0.271 711 V C -0.215 175.891 176.094 0.020 0.000 1.040 711 V CA 0.064 62.370 62.300 0.011 0.000 1.002 711 V CB 0.878 32.702 31.823 0.001 0.000 1.000 711 V HN 0.562 nan 8.190 nan 0.000 0.477 712 V N 7.697 127.636 119.914 0.042 0.000 2.350 712 V HA 0.634 4.707 4.120 -0.078 0.000 0.285 712 V C 0.141 176.293 176.094 0.097 0.000 1.014 712 V CA -0.624 61.728 62.300 0.086 0.000 0.831 712 V CB 1.282 33.181 31.823 0.126 0.000 1.000 712 V HN 1.035 nan 8.190 nan 0.000 0.433 713 R N 3.360 123.833 120.500 -0.045 0.000 2.831 713 R HA 0.989 5.282 4.340 -0.078 0.000 0.266 713 R C -0.124 175.734 176.300 -0.738 0.000 1.051 713 R CA -0.425 55.421 56.100 -0.424 0.000 0.943 713 R CB 2.357 32.478 30.300 -0.299 0.000 1.228 713 R HN 0.883 nan 8.270 nan 0.000 0.467 714 G N -0.032 107.959 108.800 -1.349 0.000 2.344 714 G HA2 0.277 4.190 3.960 -0.078 0.000 0.282 714 G HA3 0.277 4.190 3.960 -0.078 0.000 0.282 714 G C -1.496 172.983 174.900 -0.701 0.000 1.281 714 G CA -0.506 44.095 45.100 -0.831 0.000 0.877 714 G HN 0.604 nan 8.290 nan 0.000 0.494 715 T N -0.375 114.098 114.554 -0.135 0.000 2.942 715 T HA 0.858 5.161 4.350 -0.078 0.000 0.289 715 T C -0.609 174.244 174.700 0.255 0.000 1.044 715 T CA 0.290 62.426 62.100 0.060 0.000 1.023 715 T CB 1.836 70.711 68.868 0.010 0.000 1.123 715 T HN 1.193 nan 8.240 nan 0.000 0.512 716 T N 0.923 115.591 114.554 0.190 0.000 2.843 716 T HA 0.300 4.603 4.350 -0.078 0.000 0.337 716 T C -1.033 173.712 174.700 0.075 0.000 1.754 716 T CA -0.662 61.520 62.100 0.136 0.000 1.052 716 T CB 0.658 69.604 68.868 0.131 0.000 1.588 716 T HN 0.630 nan 8.240 nan 0.000 0.493 717 N N 1.065 119.790 118.700 0.041 0.000 2.200 717 N HA 0.414 5.107 4.740 -0.078 0.000 0.224 717 N C 0.281 175.795 175.510 0.007 0.000 1.179 717 N CA 0.009 53.072 53.050 0.022 0.000 0.877 717 N CB 0.449 38.946 38.487 0.016 0.000 1.072 717 N HN 0.697 nan 8.380 nan 0.000 0.519 718 A N 0.041 122.860 122.820 -0.002 0.000 2.313 718 A HA 0.717 4.990 4.320 -0.078 0.000 0.261 718 A C 1.350 178.915 177.584 -0.032 0.000 1.090 718 A CA 0.056 52.079 52.037 -0.023 0.000 0.807 718 A CB 0.264 19.237 19.000 -0.044 0.000 1.055 718 A HN 0.308 nan 8.150 nan 0.000 0.492 719 A N 0.355 123.153 122.820 -0.037 0.000 1.898 719 A HA 0.193 4.466 4.320 -0.078 0.000 0.214 719 A C 1.030 178.568 177.584 -0.077 0.000 1.183 719 A CA 1.213 53.225 52.037 -0.042 0.000 0.622 719 A CB -0.077 18.906 19.000 -0.029 0.000 0.824 719 A HN 0.716 nan 8.150 nan 0.000 0.444 720 K N -1.266 119.072 120.400 -0.102 0.000 2.443 720 K HA 0.664 4.937 4.320 -0.078 0.000 0.251 720 K C -1.826 174.611 176.600 -0.272 0.000 0.972 720 K CA -0.614 55.550 56.287 -0.205 0.000 0.833 720 K CB 2.814 35.194 32.500 -0.200 0.000 1.317 720 K HN -0.024 nan 8.250 nan 0.000 0.441 721 V N 2.162 121.802 119.914 -0.458 0.000 2.760 721 V HA 0.417 4.490 4.120 -0.078 0.000 0.309 721 V C -1.710 174.034 176.094 -0.584 0.000 1.077 721 V CA -0.868 61.147 62.300 -0.475 0.000 0.910 721 V CB 1.499 32.923 31.823 -0.665 0.000 1.008 721 V HN 0.625 nan 8.190 nan 0.000 0.424 722 Y N 2.523 122.700 120.300 -0.206 0.000 2.361 722 Y HA 0.666 5.169 4.550 -0.078 0.000 0.337 722 Y C -0.147 175.670 175.900 -0.139 0.000 0.965 722 Y CA -0.889 57.122 58.100 -0.148 0.000 1.091 722 Y CB 2.294 40.678 38.460 -0.127 0.000 1.182 722 Y HN 0.356 nan 8.280 nan 0.000 0.450 723 V N 2.794 122.730 119.914 0.036 0.000 2.370 723 V HA 0.521 4.594 4.120 -0.078 0.000 0.283 723 V C -0.356 175.752 176.094 0.025 0.000 1.023 723 V CA -0.495 61.815 62.300 0.016 0.000 0.857 723 V CB 1.499 33.333 31.823 0.018 0.000 0.985 723 V HN 0.756 nan 8.190 nan 0.000 0.443 724 S N 3.828 119.533 115.700 0.007 0.000 2.532 724 S HA 0.718 5.141 4.470 -0.078 0.000 0.299 724 S C -1.115 173.478 174.600 -0.011 0.000 1.105 724 S CA -0.522 57.671 58.200 -0.011 0.000 1.018 724 S CB 1.773 64.949 63.200 -0.040 0.000 1.021 724 S HN 0.767 nan 8.310 nan 0.000 0.483 725 V N 5.660 125.563 119.914 -0.018 0.000 2.444 725 V HA 0.527 4.600 4.120 -0.078 0.000 0.294 725 V C 0.041 176.122 176.094 -0.023 0.000 1.022 725 V CA -0.298 61.989 62.300 -0.022 0.000 0.850 725 V CB 0.501 32.303 31.823 -0.035 0.000 0.992 725 V HN 1.163 nan 8.190 nan 0.000 0.426 726 N N 5.059 123.749 118.700 -0.016 0.000 2.710 726 N HA -0.224 4.469 4.740 -0.078 0.000 0.249 726 N C 0.995 176.503 175.510 -0.003 0.000 1.059 726 N CA 0.702 53.745 53.050 -0.011 0.000 0.720 726 N CB -0.980 37.496 38.487 -0.018 0.000 0.983 726 N HN 1.656 nan 8.380 nan 0.000 0.544 727 G N -1.876 106.923 108.800 -0.001 0.000 2.176 727 G HA2 -0.275 3.638 3.960 -0.078 0.000 0.232 727 G HA3 -0.275 3.638 3.960 -0.078 0.000 0.232 727 G C 0.067 174.950 174.900 -0.028 0.000 0.986 727 G CA 0.420 45.519 45.100 -0.001 0.000 0.643 727 G HN 0.363 nan 8.290 nan 0.000 0.522 728 T N 1.440 115.977 114.554 -0.030 0.000 2.770 728 T HA 0.711 5.014 4.350 -0.078 0.000 0.297 728 T C 0.289 174.971 174.700 -0.031 0.000 0.997 728 T CA 0.550 62.631 62.100 -0.032 0.000 0.949 728 T CB 1.490 70.341 68.868 -0.028 0.000 0.941 728 T HN 1.236 nan 8.240 nan 0.000 0.457 729 A N 2.939 125.735 122.820 -0.039 0.000 2.312 729 A HA 0.847 5.120 4.320 -0.078 0.000 0.326 729 A C 0.340 177.942 177.584 0.031 0.000 1.172 729 A CA -0.742 51.284 52.037 -0.017 0.000 0.821 729 A CB 1.037 19.990 19.000 -0.078 0.000 1.166 729 A HN 0.699 nan 8.150 nan 0.000 0.493 730 T N 0.504 115.102 114.554 0.072 0.000 2.971 730 T HA 0.423 4.726 4.350 -0.078 0.000 0.304 730 T C -0.594 174.161 174.700 0.092 0.000 1.038 730 T CA -0.523 61.622 62.100 0.076 0.000 1.007 730 T CB 1.076 69.960 68.868 0.026 0.000 1.055 730 T HN 0.770 nan 8.240 nan 0.000 0.451 731 E N 2.471 122.713 120.200 0.071 0.000 2.398 731 E HA 0.512 4.815 4.350 -0.078 0.000 0.263 731 E C -0.502 176.003 176.600 -0.158 0.000 1.046 731 E CA -0.442 55.856 56.400 -0.170 0.000 0.908 731 E CB 0.695 30.236 29.700 -0.264 0.000 0.963 731 E HN 0.820 nan 8.360 nan 0.000 0.431 732 A N 5.763 128.437 122.820 -0.242 0.000 2.285 732 A HA 0.409 4.682 4.320 -0.078 0.000 0.310 732 A C -2.397 175.103 177.584 -0.140 0.000 1.266 732 A CA -1.633 50.330 52.037 -0.123 0.000 0.832 732 A CB 0.895 19.838 19.000 -0.094 0.000 1.163 732 A HN 0.447 nan 8.150 nan 0.000 0.499 733 P HA 0.171 nan 4.420 nan 0.000 0.271 733 P C -0.336 176.959 177.300 -0.008 0.000 1.220 733 P CA 0.196 63.258 63.100 -0.062 0.000 0.768 733 P CB 1.043 32.721 31.700 -0.036 0.000 0.848 734 V N 4.546 124.444 119.914 -0.027 0.000 2.432 734 V HA 0.233 4.306 4.120 -0.078 0.000 0.275 734 V C 0.727 176.835 176.094 0.022 0.000 1.043 734 V CA 0.259 62.575 62.300 0.028 0.000 0.925 734 V CB 0.880 32.700 31.823 -0.005 0.000 0.985 734 V HN 0.548 nan 8.190 nan 0.000 0.466 735 T N 3.953 118.531 114.554 0.040 0.000 2.864 735 T HA 0.291 4.594 4.350 -0.078 0.000 0.310 735 T C -0.266 174.445 174.700 0.018 0.000 1.040 735 T CA -0.360 61.752 62.100 0.019 0.000 0.977 735 T CB 0.386 69.261 68.868 0.012 0.000 0.976 735 T HN 0.808 nan 8.240 nan 0.000 0.459 736 D N 2.831 123.238 120.400 0.012 0.000 2.697 736 D HA -0.194 4.399 4.640 -0.078 0.000 0.235 736 D C 1.322 177.633 176.300 0.018 0.000 1.167 736 D CA 1.722 55.727 54.000 0.010 0.000 0.656 736 D CB -1.131 39.670 40.800 0.002 0.000 1.025 736 D HN 1.235 nan 8.370 nan 0.000 0.419 737 G N -0.501 108.318 108.800 0.032 0.000 2.168 737 G HA2 -0.324 3.589 3.960 -0.078 0.000 0.263 737 G HA3 -0.324 3.589 3.960 -0.078 0.000 0.263 737 G C 0.499 175.446 174.900 0.079 0.000 0.977 737 G CA 1.431 46.562 45.100 0.051 0.000 0.659 737 G HN 1.107 nan 8.290 nan 0.000 0.533 738 T N -1.631 112.966 114.554 0.072 0.000 2.916 738 T HA 0.863 5.166 4.350 -0.078 0.000 0.292 738 T C -0.465 174.315 174.700 0.132 0.000 1.064 738 T CA -0.320 61.802 62.100 0.037 0.000 1.011 738 T CB 2.702 71.538 68.868 -0.053 0.000 1.152 738 T HN 1.555 nan 8.240 nan 0.000 0.510 739 F N -1.543 118.390 119.950 -0.029 0.000 2.645 739 F HA 0.871 5.351 4.527 -0.079 0.000 0.310 739 F C -0.781 175.002 175.800 -0.028 0.000 1.102 739 F CA -1.029 56.950 58.000 -0.036 0.000 0.952 739 F CB 1.724 40.696 39.000 -0.047 0.000 1.326 739 F HN 0.805 nan 8.300 nan 0.000 0.456 740 S N 2.321 118.080 115.700 0.098 0.000 2.584 740 S HA 0.651 5.074 4.470 -0.078 0.000 0.282 740 S C -2.426 172.219 174.600 0.074 0.000 1.138 740 S CA -0.409 57.796 58.200 0.008 0.000 0.987 740 S CB 1.127 64.290 63.200 -0.061 0.000 1.137 740 S HN 1.034 nan 8.310 nan 0.000 0.457 741 L N 3.868 125.145 121.223 0.091 0.000 2.431 741 L HA 0.677 4.970 4.340 -0.078 0.000 0.266 741 L C -1.526 175.367 176.870 0.038 0.000 0.978 741 L CA -0.217 54.661 54.840 0.063 0.000 0.822 741 L CB 2.112 44.218 42.059 0.078 0.000 1.310 741 L HN 0.577 nan 8.230 nan 0.000 0.409 742 D N 4.102 124.513 120.400 0.018 0.000 2.411 742 D HA 0.227 4.820 4.640 -0.078 0.000 0.225 742 D C -0.474 175.825 176.300 -0.003 0.000 1.156 742 D CA 0.191 54.194 54.000 0.005 0.000 0.874 742 D CB 1.907 42.707 40.800 0.000 0.000 1.034 742 D HN 0.284 nan 8.370 nan 0.000 0.502 743 V N 1.727 121.637 119.914 -0.006 0.000 2.617 743 V HA 0.561 4.634 4.120 -0.078 0.000 0.298 743 V C -0.103 175.961 176.094 -0.050 0.000 1.048 743 V CA -0.690 61.598 62.300 -0.019 0.000 0.964 743 V CB 1.606 33.424 31.823 -0.008 0.000 1.004 743 V HN 0.598 nan 8.190 nan 0.000 0.466 744 A N 6.595 129.379 122.820 -0.060 0.000 2.450 744 A HA 0.553 4.826 4.320 -0.078 0.000 0.255 744 A C -0.621 176.882 177.584 -0.135 0.000 1.096 744 A CA -0.269 51.710 52.037 -0.097 0.000 0.778 744 A CB -0.019 18.936 19.000 -0.076 0.000 1.031 744 A HN 0.682 nan 8.150 nan 0.000 0.494 745 L N 2.814 123.898 121.223 -0.233 0.000 2.305 745 L HA 0.394 4.687 4.340 -0.078 0.000 0.281 745 L C 1.725 178.437 176.870 -0.263 0.000 1.085 745 L CA 1.026 55.691 54.840 -0.291 0.000 0.813 745 L CB 1.179 42.922 42.059 -0.526 0.000 1.157 745 L HN 0.908 nan 8.230 nan 0.000 0.436 746 T N -1.431 113.031 114.554 -0.153 0.000 3.001 746 T HA 0.469 4.772 4.350 -0.078 0.000 0.251 746 T C 0.600 175.275 174.700 -0.042 0.000 1.040 746 T CA 0.341 62.387 62.100 -0.090 0.000 0.985 746 T CB 0.353 69.187 68.868 -0.057 0.000 1.011 746 T HN 0.609 nan 8.240 nan 0.000 0.509 747 G N -0.393 108.389 108.800 -0.031 0.000 2.788 747 G HA2 0.617 4.530 3.960 -0.078 0.000 0.293 747 G HA3 0.617 4.530 3.960 -0.078 0.000 0.293 747 G C 0.735 175.675 174.900 0.067 0.000 1.392 747 G CA -0.228 44.886 45.100 0.022 0.000 0.810 747 G HN 0.169 nan 8.290 nan 0.000 0.508 748 A N -0.790 122.044 122.820 0.022 0.000 1.930 748 A HA 0.213 4.486 4.320 -0.078 0.000 0.217 748 A C 1.261 178.777 177.584 -0.112 0.000 1.175 748 A CA 1.634 53.634 52.037 -0.062 0.000 0.627 748 A CB -0.200 18.756 19.000 -0.072 0.000 0.815 748 A HN 0.454 nan 8.150 nan 0.000 0.443 749 K N 1.107 121.469 120.400 -0.064 0.000 2.413 749 K HA 0.282 4.555 4.320 -0.078 0.000 0.257 749 K C -1.645 174.928 176.600 -0.045 0.000 0.946 749 K CA -0.556 55.692 56.287 -0.065 0.000 0.823 749 K CB 0.595 33.064 32.500 -0.052 0.000 1.109 749 K HN 0.269 nan 8.250 nan 0.000 0.427 750 N N 4.143 122.816 118.700 -0.046 0.000 2.476 750 N HA 0.109 4.802 4.740 -0.078 0.000 0.257 750 N C -1.160 174.334 175.510 -0.027 0.000 0.970 750 N CA -0.635 52.392 53.050 -0.040 0.000 0.938 750 N CB 1.600 40.055 38.487 -0.053 0.000 1.144 750 N HN 0.291 nan 8.380 nan 0.000 0.500 751 K N 2.732 123.120 120.400 -0.021 0.000 2.273 751 K HA 0.226 4.499 4.320 -0.078 0.000 0.287 751 K C -0.892 175.707 176.600 -0.001 0.000 1.089 751 K CA -0.397 55.885 56.287 -0.008 0.000 0.909 751 K CB 0.320 32.815 32.500 -0.009 0.000 1.123 751 K HN 0.260 nan 8.250 nan 0.000 0.473 752 V N 4.290 124.208 119.914 0.007 0.000 2.350 752 V HA 0.228 4.301 4.120 -0.078 0.000 0.276 752 V C 0.233 176.342 176.094 0.024 0.000 1.028 752 V CA -0.661 61.646 62.300 0.012 0.000 0.860 752 V CB 1.421 33.253 31.823 0.015 0.000 0.990 752 V HN 0.610 nan 8.190 nan 0.000 0.453 753 T N 4.866 119.431 114.554 0.017 0.000 2.767 753 T HA 0.508 4.811 4.350 -0.078 0.000 0.284 753 T C -0.193 174.513 174.700 0.010 0.000 0.973 753 T CA -0.285 61.826 62.100 0.018 0.000 0.996 753 T CB 1.453 70.326 68.868 0.008 0.000 0.927 753 T HN 0.365 nan 8.240 nan 0.000 0.456 754 V N 3.101 123.023 119.914 0.014 0.000 2.328 754 V HA 0.705 4.778 4.120 -0.078 0.000 0.278 754 V C 0.187 176.262 176.094 -0.032 0.000 1.021 754 V CA -0.967 61.325 62.300 -0.013 0.000 0.838 754 V CB 0.952 32.780 31.823 0.009 0.000 0.999 754 V HN 1.035 nan 8.190 nan 0.000 0.447 755 A N 4.250 127.049 122.820 -0.035 0.000 2.303 755 A HA 0.901 5.174 4.320 -0.078 0.000 0.320 755 A C 0.114 177.672 177.584 -0.043 0.000 1.192 755 A CA -0.373 51.650 52.037 -0.023 0.000 0.821 755 A CB 1.151 20.149 19.000 -0.003 0.000 1.188 755 A HN 1.212 nan 8.150 nan 0.000 0.492 756 A N 2.344 125.129 122.820 -0.059 0.000 2.288 756 A HA 0.658 4.931 4.320 -0.078 0.000 0.320 756 A C -0.636 176.930 177.584 -0.030 0.000 1.217 756 A CA -0.418 51.568 52.037 -0.085 0.000 0.840 756 A CB 0.790 19.735 19.000 -0.092 0.000 1.179 756 A HN 1.065 nan 8.150 nan 0.000 0.504 757 V N 2.351 122.253 119.914 -0.019 0.000 2.409 757 V HA 0.624 4.697 4.120 -0.078 0.000 0.291 757 V C 0.718 176.805 176.094 -0.011 0.000 1.020 757 V CA -0.430 61.872 62.300 0.004 0.000 0.848 757 V CB 1.083 32.936 31.823 0.051 0.000 0.990 757 V HN 1.176 nan 8.190 nan 0.000 0.430 758 A N 3.672 126.486 122.820 -0.010 0.000 2.313 758 A HA 0.724 4.997 4.320 -0.078 0.000 0.261 758 A C 1.567 179.144 177.584 -0.010 0.000 1.090 758 A CA 0.311 52.341 52.037 -0.012 0.000 0.807 758 A CB 0.575 19.569 19.000 -0.009 0.000 1.055 758 A HN 1.339 nan 8.150 nan 0.000 0.492 759 A N 0.215 123.028 122.820 -0.011 0.000 2.019 759 A HA -0.122 4.151 4.320 -0.078 0.000 0.219 759 A C 1.395 178.972 177.584 -0.011 0.000 1.164 759 A CA 2.003 54.033 52.037 -0.011 0.000 0.644 759 A CB -0.469 18.525 19.000 -0.011 0.000 0.805 759 A HN 0.878 nan 8.150 nan 0.000 0.449 760 D N -2.674 117.719 120.400 -0.012 0.000 2.339 760 D HA 0.277 4.870 4.640 -0.078 0.000 0.217 760 D C 1.140 177.429 176.300 -0.018 0.000 1.050 760 D CA 1.036 55.027 54.000 -0.014 0.000 0.856 760 D CB -0.222 40.570 40.800 -0.013 0.000 0.922 760 D HN 0.717 nan 8.370 nan 0.000 0.518 761 G N -0.403 108.387 108.800 -0.017 0.000 2.213 761 G HA2 -0.163 3.750 3.960 -0.078 0.000 0.226 761 G HA3 -0.163 3.750 3.960 -0.078 0.000 0.226 761 G C 0.716 175.604 174.900 -0.020 0.000 0.992 761 G CA -0.018 45.069 45.100 -0.022 0.000 0.632 761 G HN 0.747 nan 8.290 nan 0.000 0.511 762 G N 0.271 109.063 108.800 -0.014 0.000 2.544 762 G HA2 0.616 4.529 3.960 -0.078 0.000 0.242 762 G HA3 0.616 4.529 3.960 -0.078 0.000 0.242 762 G C 0.354 175.252 174.900 -0.004 0.000 1.247 762 G CA 1.397 46.493 45.100 -0.006 0.000 0.840 762 G HN 1.534 nan 8.290 nan 0.000 0.578 763 T N -2.247 112.308 114.554 0.002 0.000 2.901 763 T HA 0.800 5.103 4.350 -0.078 0.000 0.293 763 T C -0.449 174.250 174.700 -0.001 0.000 1.084 763 T CA -0.215 61.884 62.100 -0.002 0.000 1.008 763 T CB 2.149 71.015 68.868 -0.004 0.000 1.170 763 T HN 1.604 nan 8.240 nan 0.000 0.509 764 A N 0.646 123.462 122.820 -0.006 0.000 2.498 764 A HA 0.912 5.185 4.320 -0.078 0.000 0.298 764 A C -1.071 176.511 177.584 -0.003 0.000 1.075 764 A CA -0.815 51.222 52.037 -0.000 0.000 0.714 764 A CB 2.009 21.012 19.000 0.005 0.000 1.299 764 A HN 1.462 nan 8.150 nan 0.000 0.407 765 V N 0.713 120.634 119.914 0.011 0.000 3.114 765 V HA 0.820 4.893 4.120 -0.078 0.000 0.308 765 V C -1.682 174.440 176.094 0.046 0.000 1.168 765 V CA -0.492 61.817 62.300 0.015 0.000 1.015 765 V CB 2.233 34.055 31.823 -0.002 0.000 1.050 765 V HN 0.977 nan 8.190 nan 0.000 0.433 766 E N 2.565 122.796 120.200 0.052 0.000 2.321 766 E HA 0.493 4.796 4.350 -0.078 0.000 0.278 766 E C -1.941 174.703 176.600 0.073 0.000 0.902 766 E CA -0.559 55.885 56.400 0.074 0.000 0.758 766 E CB 2.336 32.085 29.700 0.082 0.000 1.213 766 E HN 0.731 nan 8.360 nan 0.000 0.426 767 D N 1.382 121.834 120.400 0.086 0.000 2.350 767 D HA 0.570 5.163 4.640 -0.078 0.000 0.245 767 D C -0.427 175.913 176.300 0.066 0.000 1.036 767 D CA -0.606 53.440 54.000 0.078 0.000 0.848 767 D CB 1.826 42.686 40.800 0.099 0.000 1.307 767 D HN 0.054 nan 8.370 nan 0.000 0.469 768 R N -0.160 120.371 120.500 0.051 0.000 2.698 768 R HA 0.537 4.830 4.340 -0.078 0.000 0.275 768 R C -1.076 175.240 176.300 0.026 0.000 1.001 768 R CA -0.565 55.560 56.100 0.041 0.000 0.896 768 R CB 1.970 32.296 30.300 0.043 0.000 1.218 768 R HN 0.185 nan 8.270 nan 0.000 0.462 769 T N 1.540 116.105 114.554 0.019 0.000 2.792 769 T HA 0.541 4.844 4.350 -0.078 0.000 0.280 769 T C -0.960 173.740 174.700 0.000 0.000 0.990 769 T CA -0.535 61.568 62.100 0.005 0.000 0.960 769 T CB 1.253 70.122 68.868 0.001 0.000 0.939 769 T HN 0.152 nan 8.240 nan 0.000 0.439 770 V N 4.935 124.841 119.914 -0.013 0.000 2.444 770 V HA 0.407 4.480 4.120 -0.078 0.000 0.294 770 V C -0.611 175.454 176.094 -0.048 0.000 1.022 770 V CA -0.932 61.358 62.300 -0.017 0.000 0.850 770 V CB 1.440 33.255 31.823 -0.014 0.000 0.992 770 V HN 0.622 nan 8.190 nan 0.000 0.426 771 L N 5.110 126.289 121.223 -0.074 0.000 2.326 771 L HA 0.471 4.764 4.340 -0.078 0.000 0.278 771 L C -0.598 176.107 176.870 -0.276 0.000 1.092 771 L CA -0.079 54.638 54.840 -0.204 0.000 0.810 771 L CB 0.598 42.540 42.059 -0.195 0.000 1.153 771 L HN 0.689 nan 8.230 nan 0.000 0.439 772 Y N 2.455 122.387 120.300 -0.613 0.000 2.373 772 Y HA 0.346 4.849 4.550 -0.078 0.000 0.336 772 Y C -0.647 174.796 175.900 -0.760 0.000 0.979 772 Y CA -0.495 57.277 58.100 -0.546 0.000 1.080 772 Y CB 1.313 39.612 38.460 -0.268 0.000 1.190 772 Y HN 0.633 nan 8.280 nan 0.000 0.446 773 Y N 3.747 123.507 120.300 -0.899 0.000 2.471 773 Y HA 0.562 5.064 4.550 -0.078 0.000 0.249 773 Y C 1.073 176.476 175.900 -0.830 0.000 1.116 773 Y CA 0.139 57.739 58.100 -0.832 0.000 1.240 773 Y CB 1.515 39.493 38.460 -0.803 0.000 1.251 773 Y HN 0.894 nan 8.280 nan 0.000 0.527 774 G N -0.220 107.988 108.800 -0.987 0.000 2.316 774 G HA2 -0.070 3.843 3.960 -0.078 0.000 0.349 774 G HA3 -0.070 3.843 3.960 -0.078 0.000 0.349 774 G C -1.117 173.902 174.900 0.199 0.000 1.274 774 G CA -0.934 43.964 45.100 -0.335 0.000 1.018 774 G HN -0.113 nan 8.290 nan 0.000 0.486 775 S N 0.325 116.168 115.700 0.238 0.000 2.531 775 S HA 0.393 4.816 4.470 -0.078 0.000 0.279 775 S C 0.774 175.508 174.600 0.224 0.000 1.305 775 S CA -0.332 58.008 58.200 0.234 0.000 1.058 775 S CB 1.057 64.347 63.200 0.150 0.000 0.899 775 S HN 0.672 nan 8.310 nan 0.000 0.493 776 R N 3.585 124.191 120.500 0.175 0.000 2.296 776 R HA 0.106 4.399 4.340 -0.078 0.000 0.323 776 R C 0.724 176.931 176.300 -0.154 0.000 1.067 776 R CA -0.411 55.603 56.100 -0.142 0.000 0.946 776 R CB 0.006 30.211 30.300 -0.157 0.000 0.991 776 R HN 0.578 nan 8.270 nan 0.000 0.448 777 I N 2.766 123.203 120.570 -0.222 0.000 2.202 777 I HA 0.017 4.140 4.170 -0.078 0.000 0.242 777 I C 1.333 177.346 176.117 -0.172 0.000 1.091 777 I CA 1.463 62.670 61.300 -0.155 0.000 1.368 777 I CB -1.071 36.821 38.000 -0.180 0.000 1.058 777 I HN 0.799 nan 8.210 nan 0.000 0.410 778 G N -1.006 107.642 108.800 -0.253 0.000 2.349 778 G HA2 0.654 4.567 3.960 -0.078 0.000 0.294 778 G HA3 0.654 4.567 3.960 -0.078 0.000 0.294 778 G C -2.042 172.719 174.900 -0.232 0.000 1.380 778 G CA 0.111 45.094 45.100 -0.194 0.000 0.811 778 G HN 0.412 nan 8.290 nan 0.000 0.519 779 A N -0.943 121.786 122.820 -0.152 0.000 2.594 779 A HA 0.920 5.193 4.320 -0.078 0.000 0.291 779 A C -1.488 176.051 177.584 -0.075 0.000 1.105 779 A CA -0.619 51.341 52.037 -0.129 0.000 0.694 779 A CB 1.492 20.428 19.000 -0.107 0.000 1.291 779 A HN 1.111 nan 8.150 nan 0.000 0.410 780 L N 1.178 122.369 121.223 -0.054 0.000 2.408 780 L HA 0.657 4.950 4.340 -0.078 0.000 0.268 780 L C 0.207 177.067 176.870 -0.017 0.000 0.986 780 L CA -0.634 54.189 54.840 -0.028 0.000 0.820 780 L CB 2.448 44.496 42.059 -0.017 0.000 1.303 780 L HN 0.913 nan 8.230 nan 0.000 0.411 781 S N 0.190 115.883 115.700 -0.011 0.000 2.664 781 S HA 0.788 5.211 4.470 -0.078 0.000 0.304 781 S C -1.217 173.380 174.600 -0.004 0.000 1.099 781 S CA -0.708 57.489 58.200 -0.005 0.000 1.003 781 S CB 2.667 65.865 63.200 -0.004 0.000 1.092 781 S HN 0.663 nan 8.310 nan 0.000 0.525 782 D N 0.590 120.990 120.400 -0.001 0.000 2.886 782 D HA 0.483 5.076 4.640 -0.078 0.000 0.216 782 D C -2.893 173.407 176.300 -0.000 0.000 1.256 782 D CA -1.138 52.860 54.000 -0.003 0.000 0.844 782 D CB 2.008 42.805 40.800 -0.004 0.000 1.669 782 D HN 0.418 nan 8.370 nan 0.000 0.513 783 P HA 0.285 nan 4.420 nan 0.000 0.272 783 P C -0.909 176.394 177.300 0.004 0.000 1.223 783 P CA -0.445 62.654 63.100 -0.001 0.000 0.784 783 P CB 1.036 32.733 31.700 -0.005 0.000 0.923 784 A N 1.430 124.252 122.820 0.005 0.000 2.271 784 A HA 0.565 4.838 4.320 -0.078 0.000 0.288 784 A C 1.200 178.789 177.584 0.008 0.000 1.094 784 A CA 0.033 52.075 52.037 0.008 0.000 0.828 784 A CB -0.782 18.220 19.000 0.004 0.000 1.091 784 A HN 0.847 nan 8.150 nan 0.000 0.493 785 G N 0.077 108.885 108.800 0.014 0.000 2.273 785 G HA2 -0.214 3.699 3.960 -0.078 0.000 0.280 785 G HA3 -0.214 3.699 3.960 -0.078 0.000 0.280 785 G C 0.092 175.004 174.900 0.020 0.000 1.047 785 G CA 0.963 46.072 45.100 0.014 0.000 0.869 785 G HN 0.916 nan 8.290 nan 0.000 0.502 786 D N 0.044 120.462 120.400 0.029 0.000 2.433 786 D HA 0.095 4.688 4.640 -0.078 0.000 0.211 786 D C 1.251 177.569 176.300 0.031 0.000 1.114 786 D CA 0.454 54.464 54.000 0.015 0.000 0.837 786 D CB 0.080 40.881 40.800 0.001 0.000 0.984 786 D HN 0.403 nan 8.370 nan 0.000 0.505 787 D N 0.626 121.083 120.400 0.096 0.000 2.948 787 D HA -0.062 4.531 4.640 -0.078 0.000 0.241 787 D C -0.161 176.252 176.300 0.188 0.000 1.198 787 D CA -0.095 54.009 54.000 0.173 0.000 0.926 787 D CB -1.723 39.296 40.800 0.366 0.000 1.151 787 D HN 0.493 nan 8.370 nan 0.000 0.441 788 N N -1.218 117.517 118.700 0.058 0.000 2.451 788 N HA 0.279 4.972 4.740 -0.078 0.000 0.271 788 N C 1.013 176.407 175.510 -0.193 0.000 1.410 788 N CA -0.458 52.614 53.050 0.036 0.000 0.884 788 N CB 0.643 39.157 38.487 0.044 0.000 1.332 788 N HN 0.158 nan 8.380 nan 0.000 0.498 789 G N 3.049 111.674 108.800 -0.291 0.000 2.651 789 G HA2 -0.356 3.557 3.960 -0.078 0.000 0.315 789 G HA3 -0.356 3.557 3.960 -0.078 0.000 0.315 789 G C -1.325 173.282 174.900 -0.488 0.000 1.258 789 G CA 0.600 45.319 45.100 -0.635 0.000 1.002 789 G HN 0.342 nan 8.290 nan 0.000 0.551 790 P HA 0.105 nan 4.420 nan 0.000 0.234 790 P C 1.104 178.289 177.300 -0.191 0.000 1.167 790 P CA 2.503 65.445 63.100 -0.263 0.000 0.763 790 P CB -0.130 31.480 31.700 -0.151 0.000 0.835 791 G N -2.036 106.633 108.800 -0.218 0.000 2.173 791 G HA2 -0.152 3.761 3.960 -0.078 0.000 0.142 791 G HA3 -0.152 3.761 3.960 -0.078 0.000 0.142 791 G C 0.516 175.389 174.900 -0.044 0.000 1.019 791 G CA 0.251 45.291 45.100 -0.101 0.000 0.699 791 G HN 0.417 nan 8.290 nan 0.000 0.495 792 T N -0.464 114.068 114.554 -0.037 0.000 3.144 792 T HA 0.399 4.702 4.350 -0.078 0.000 0.290 792 T C 0.486 175.331 174.700 0.242 0.000 0.966 792 T CA -0.206 61.954 62.100 0.099 0.000 0.907 792 T CB -0.040 68.916 68.868 0.146 0.000 1.152 792 T HN 0.370 nan 8.240 nan 0.000 0.532 793 Y N 1.980 122.262 120.300 -0.030 0.000 2.301 793 Y HA 0.554 5.058 4.550 -0.077 0.000 0.328 793 Y C 0.867 176.717 175.900 -0.083 0.000 1.242 793 Y CA -1.166 56.880 58.100 -0.090 0.000 1.323 793 Y CB 0.779 39.158 38.460 -0.135 0.000 1.266 793 Y HN -0.112 nan 8.280 nan 0.000 0.527 794 R N 1.453 121.917 120.500 -0.060 0.000 2.686 794 R HA 0.301 4.594 4.340 -0.078 0.000 0.283 794 R C -1.691 174.642 176.300 0.055 0.000 0.978 794 R CA -1.129 54.910 56.100 -0.102 0.000 0.897 794 R CB 1.676 31.634 30.300 -0.571 0.000 1.192 794 R HN 0.512 nan 8.270 nan 0.000 0.457 795 Y N 2.556 122.904 120.300 0.079 0.000 2.397 795 Y HA 0.103 4.605 4.550 -0.079 0.000 0.335 795 Y C -1.557 174.389 175.900 0.078 0.000 1.213 795 Y CA -1.620 56.596 58.100 0.195 0.000 1.391 795 Y CB 0.283 38.891 38.460 0.246 0.000 1.293 795 Y HN 0.333 nan 8.280 nan 0.000 0.557 796 P HA -0.009 nan 4.420 nan 0.000 0.271 796 P C 0.638 177.945 177.300 0.012 0.000 1.226 796 P CA 0.098 63.156 63.100 -0.071 0.000 0.765 796 P CB 0.969 32.307 31.700 -0.603 0.000 0.835 797 T N 0.289 114.909 114.554 0.110 0.000 2.751 797 T HA -0.232 4.071 4.350 -0.078 0.000 0.268 797 T C 1.056 175.736 174.700 -0.034 0.000 1.045 797 T CA 0.761 62.887 62.100 0.043 0.000 1.142 797 T CB -0.915 67.931 68.868 -0.037 0.000 0.851 797 T HN 0.450 nan 8.240 nan 0.000 0.474 798 N N 1.742 120.333 118.700 -0.182 0.000 2.294 798 N HA -0.081 4.612 4.740 -0.078 0.000 0.248 798 N C 1.542 177.077 175.510 0.043 0.000 1.242 798 N CA 0.829 53.764 53.050 -0.192 0.000 0.848 798 N CB 1.096 39.217 38.487 -0.611 0.000 1.084 798 N HN 0.602 nan 8.380 nan 0.000 0.457 799 S N 3.632 119.349 115.700 0.029 0.000 2.359 799 S HA -0.216 4.207 4.470 -0.078 0.000 0.224 799 S C 2.055 176.655 174.600 -0.000 0.000 1.035 799 S CA 1.317 59.536 58.200 0.033 0.000 1.018 799 S CB -0.758 62.461 63.200 0.032 0.000 0.876 799 S HN 0.711 nan 8.310 nan 0.000 0.448 800 A N 0.921 123.734 122.820 -0.011 0.000 2.023 800 A HA -0.133 4.140 4.320 -0.078 0.000 0.223 800 A C 1.002 178.256 177.584 -0.550 0.000 1.180 800 A CA 1.425 53.287 52.037 -0.291 0.000 0.659 800 A CB -1.272 17.543 19.000 -0.308 0.000 0.817 800 A HN 0.713 nan 8.150 nan 0.000 0.466 801 Y N 0.447 120.662 120.300 -0.142 0.000 2.623 801 Y HA 0.358 4.859 4.550 -0.082 0.000 0.341 801 Y C 0.522 176.387 175.900 -0.058 0.000 1.292 801 Y CA -0.788 57.266 58.100 -0.077 0.000 1.840 801 Y CB -0.664 37.931 38.460 0.226 0.000 1.865 801 Y HN 0.004 nan 8.280 nan 0.000 0.440 802 V N 4.639 124.457 119.914 -0.161 0.000 2.901 802 V HA -0.039 4.034 4.120 -0.078 0.000 0.307 802 V C -1.596 174.412 176.094 -0.143 0.000 1.084 802 V CA -1.531 60.681 62.300 -0.148 0.000 1.184 802 V CB 0.154 31.855 31.823 -0.205 0.000 0.941 802 V HN 0.446 nan 8.190 nan 0.000 0.493 803 P HA 0.144 nan 4.420 nan 0.000 0.268 803 P C 0.827 178.001 177.300 -0.209 0.000 1.205 803 P CA 1.061 63.971 63.100 -0.317 0.000 0.771 803 P CB 0.775 32.336 31.700 -0.231 0.000 0.858 804 G N 2.268 110.948 108.800 -0.200 0.000 2.184 804 G HA2 -0.353 3.560 3.960 -0.078 0.000 0.264 804 G HA3 -0.353 3.560 3.960 -0.078 0.000 0.264 804 G C 1.128 176.050 174.900 0.037 0.000 0.975 804 G CA 0.558 45.650 45.100 -0.014 0.000 0.642 804 G HN 0.723 nan 8.290 nan 0.000 0.536 805 A N -0.552 122.274 122.820 0.009 0.000 1.978 805 A HA 0.345 4.618 4.320 -0.078 0.000 0.220 805 A C 1.527 178.912 177.584 -0.332 0.000 1.170 805 A CA 1.957 53.842 52.037 -0.254 0.000 0.636 805 A CB -0.323 18.365 19.000 -0.521 0.000 0.810 805 A HN 0.813 nan 8.150 nan 0.000 0.448 806 F N -0.467 119.656 119.950 0.288 0.000 2.708 806 F HA 0.272 4.750 4.527 -0.081 0.000 0.300 806 F C 0.021 175.879 175.800 0.098 0.000 1.118 806 F CA -1.240 56.831 58.000 0.118 0.000 1.307 806 F CB 0.330 39.305 39.000 -0.043 0.000 0.986 806 F HN 0.038 nan 8.300 nan 0.000 0.522 807 D N 1.708 122.239 120.400 0.218 0.000 2.485 807 D HA 0.257 4.850 4.640 -0.078 0.000 0.229 807 D C -0.174 176.168 176.300 0.069 0.000 1.101 807 D CA -0.025 54.057 54.000 0.136 0.000 0.906 807 D CB 0.431 41.302 40.800 0.119 0.000 1.019 807 D HN 0.079 nan 8.370 nan 0.000 0.516 808 L N 2.203 123.457 121.223 0.051 0.000 2.456 808 L HA 0.176 4.469 4.340 -0.078 0.000 0.272 808 L C 1.800 178.682 176.870 0.020 0.000 1.189 808 L CA 0.179 55.036 54.840 0.029 0.000 0.846 808 L CB 0.964 43.031 42.059 0.013 0.000 1.111 808 L HN 0.478 nan 8.230 nan 0.000 0.475 809 T N -2.206 112.359 114.554 0.018 0.000 2.975 809 T HA 0.436 4.739 4.350 -0.078 0.000 0.261 809 T C 0.425 175.133 174.700 0.013 0.000 0.984 809 T CA 0.187 62.295 62.100 0.014 0.000 0.911 809 T CB 0.761 69.638 68.868 0.015 0.000 1.127 809 T HN 0.775 nan 8.240 nan 0.000 0.514 810 G N 0.108 108.918 108.800 0.016 0.000 2.387 810 G HA2 0.503 4.416 3.960 -0.078 0.000 0.294 810 G HA3 0.503 4.416 3.960 -0.078 0.000 0.294 810 G C -2.295 172.616 174.900 0.017 0.000 1.509 810 G CA -0.533 44.576 45.100 0.014 0.000 0.806 810 G HN 0.314 nan 8.290 nan 0.000 0.546 811 V N 0.799 120.717 119.914 0.006 0.000 2.569 811 V HA 0.572 4.645 4.120 -0.078 0.000 0.301 811 V C -1.350 174.716 176.094 -0.047 0.000 1.044 811 V CA -0.728 61.575 62.300 0.005 0.000 0.874 811 V CB 2.049 33.884 31.823 0.020 0.000 1.002 811 V HN 0.776 nan 8.190 nan 0.000 0.424 812 D N 2.845 123.210 120.400 -0.059 0.000 2.649 812 D HA 0.639 5.232 4.640 -0.078 0.000 0.249 812 D C -0.829 175.254 176.300 -0.361 0.000 1.112 812 D CA -0.277 53.597 54.000 -0.210 0.000 0.850 812 D CB 2.497 43.239 40.800 -0.096 0.000 1.399 812 D HN 0.312 nan 8.370 nan 0.000 0.503 813 V N 2.706 122.258 119.914 -0.603 0.000 2.417 813 V HA 0.466 4.539 4.120 -0.078 0.000 0.291 813 V C -0.943 174.767 176.094 -0.640 0.000 1.024 813 V CA -0.663 61.231 62.300 -0.676 0.000 0.861 813 V CB 0.407 31.715 31.823 -0.857 0.000 0.985 813 V HN 0.462 nan 8.190 nan 0.000 0.436 814 Y N 1.243 121.438 120.300 -0.176 0.000 2.485 814 Y HA 0.477 4.980 4.550 -0.079 0.000 0.345 814 Y C 0.114 176.042 175.900 0.046 0.000 0.998 814 Y CA -1.316 56.760 58.100 -0.040 0.000 1.059 814 Y CB 1.364 39.822 38.460 -0.004 0.000 1.234 814 Y HN 0.607 nan 8.280 nan 0.000 0.461 815 D N 2.092 122.619 120.400 0.212 0.000 2.352 815 D HA 0.336 4.929 4.640 -0.078 0.000 0.245 815 D C -0.452 175.896 176.300 0.081 0.000 1.224 815 D CA 0.017 54.113 54.000 0.160 0.000 0.879 815 D CB 0.726 41.602 40.800 0.125 0.000 1.057 815 D HN 0.650 nan 8.370 nan 0.000 0.491 816 A N 3.545 126.384 122.820 0.030 0.000 3.290 816 A HA 0.615 4.888 4.320 -0.078 0.000 0.297 816 A C 1.371 178.929 177.584 -0.043 0.000 1.285 816 A CA 0.178 52.208 52.037 -0.012 0.000 1.060 816 A CB -0.476 18.530 19.000 0.011 0.000 1.114 816 A HN 0.827 nan 8.150 nan 0.000 0.601 817 G N 1.018 109.793 108.800 -0.041 0.000 3.181 817 G HA2 -0.391 3.522 3.960 -0.078 0.000 0.322 817 G HA3 -0.391 3.522 3.960 -0.078 0.000 0.322 817 G C 0.777 175.622 174.900 -0.092 0.000 1.246 817 G CA 0.758 45.831 45.100 -0.045 0.000 0.989 817 G HN 0.446 nan 8.290 nan 0.000 0.607 818 D N 2.455 122.809 120.400 -0.078 0.000 2.348 818 D HA 0.258 4.851 4.640 -0.078 0.000 0.211 818 D C 0.457 176.676 176.300 -0.135 0.000 0.998 818 D CA 1.157 55.102 54.000 -0.093 0.000 0.873 818 D CB 0.115 40.886 40.800 -0.049 0.000 0.925 818 D HN 0.543 nan 8.370 nan 0.000 0.524 819 D N -1.518 118.803 120.400 -0.130 0.000 2.533 819 D HA 0.308 4.901 4.640 -0.078 0.000 0.247 819 D C -0.840 175.375 176.300 -0.143 0.000 1.056 819 D CA -0.566 53.369 54.000 -0.108 0.000 1.054 819 D CB 1.281 42.084 40.800 0.005 0.000 1.400 819 D HN -0.111 nan 8.370 nan 0.000 0.533 820 Y N -0.029 120.344 120.300 0.122 0.000 2.352 820 Y HA 0.584 5.087 4.550 -0.079 0.000 0.339 820 Y C -0.169 175.841 175.900 0.183 0.000 0.992 820 Y CA -1.252 56.933 58.100 0.143 0.000 1.100 820 Y CB 1.977 40.596 38.460 0.265 0.000 1.192 820 Y HN 0.368 nan 8.280 nan 0.000 0.458 821 A N 4.511 127.490 122.820 0.265 0.000 2.253 821 A HA 0.568 4.841 4.320 -0.078 0.000 0.316 821 A C -1.445 176.218 177.584 0.132 0.000 1.327 821 A CA -0.416 51.725 52.037 0.174 0.000 0.917 821 A CB -0.348 18.679 19.000 0.045 0.000 1.162 821 A HN 0.625 nan 8.150 nan 0.000 0.535 822 F N 2.794 122.759 119.950 0.025 0.000 2.350 822 F HA 0.365 4.845 4.527 -0.078 0.000 0.365 822 F C 0.201 175.974 175.800 -0.046 0.000 1.122 822 F CA -0.231 57.769 58.000 -0.001 0.000 1.139 822 F CB 1.574 40.565 39.000 -0.015 0.000 1.220 822 F HN 0.266 nan 8.300 nan 0.000 0.499 823 V N 4.053 124.004 119.914 0.061 0.000 2.350 823 V HA 0.673 4.746 4.120 -0.078 0.000 0.276 823 V C 0.152 176.268 176.094 0.037 0.000 1.028 823 V CA -0.807 61.485 62.300 -0.014 0.000 0.860 823 V CB 1.050 32.829 31.823 -0.075 0.000 0.990 823 V HN 0.780 nan 8.190 nan 0.000 0.453 824 A N 3.927 126.764 122.820 0.029 0.000 2.304 824 A HA 0.786 5.059 4.320 -0.078 0.000 0.323 824 A C 0.116 177.715 177.584 0.026 0.000 1.195 824 A CA -0.405 51.654 52.037 0.036 0.000 0.826 824 A CB 0.885 19.910 19.000 0.041 0.000 1.184 824 A HN 0.699 nan 8.150 nan 0.000 0.496 825 T N 3.280 117.851 114.554 0.029 0.000 2.797 825 T HA 0.600 4.903 4.350 -0.078 0.000 0.279 825 T C 0.147 174.859 174.700 0.021 0.000 0.991 825 T CA -0.115 62.001 62.100 0.027 0.000 0.979 825 T CB 0.693 69.583 68.868 0.036 0.000 0.943 825 T HN 0.661 nan 8.240 nan 0.000 0.444 826 I N -0.419 120.159 120.570 0.012 0.000 3.023 826 I HA 0.855 4.978 4.170 -0.078 0.000 0.312 826 I C 1.009 177.127 176.117 0.002 0.000 1.056 826 I CA -1.378 59.927 61.300 0.009 0.000 1.033 826 I CB 1.584 39.582 38.000 -0.003 0.000 1.233 826 I HN 0.605 nan 8.210 nan 0.000 0.462 827 A N 2.640 125.462 122.820 0.003 0.000 1.903 827 A HA 0.370 4.643 4.320 -0.078 0.000 0.213 827 A C 1.354 178.923 177.584 -0.024 0.000 1.185 827 A CA 0.879 52.913 52.037 -0.006 0.000 0.628 827 A CB -0.987 18.013 19.000 -0.000 0.000 0.830 827 A HN 0.932 nan 8.150 nan 0.000 0.446 828 G N -0.438 108.340 108.800 -0.036 0.000 2.572 828 G HA2 0.405 4.318 3.960 -0.078 0.000 0.261 828 G HA3 0.405 4.318 3.960 -0.078 0.000 0.261 828 G C -0.221 174.633 174.900 -0.076 0.000 1.197 828 G CA -0.315 44.745 45.100 -0.067 0.000 0.870 828 G HN 0.486 nan 8.290 nan 0.000 0.548 829 E N -0.864 119.281 120.200 -0.092 0.000 2.415 829 E HA 0.127 4.430 4.350 -0.078 0.000 0.262 829 E C -0.327 176.204 176.600 -0.114 0.000 1.038 829 E CA -0.345 56.000 56.400 -0.091 0.000 0.921 829 E CB 0.669 30.311 29.700 -0.097 0.000 0.950 829 E HN 0.063 nan 8.360 nan 0.000 0.438 830 V N 5.412 125.272 119.914 -0.091 0.000 2.339 830 V HA 0.113 4.186 4.120 -0.078 0.000 0.261 830 V C 0.100 176.130 176.094 -0.106 0.000 1.058 830 V CA -0.220 62.024 62.300 -0.093 0.000 0.897 830 V CB 0.643 32.434 31.823 -0.054 0.000 1.052 830 V HN 0.686 nan 8.190 nan 0.000 0.480 831 T N 3.493 117.954 114.554 -0.156 0.000 2.912 831 T HA 0.374 4.677 4.350 -0.078 0.000 0.280 831 T C 0.394 175.025 174.700 -0.115 0.000 0.989 831 T CA -0.619 61.382 62.100 -0.164 0.000 0.995 831 T CB 1.171 69.872 68.868 -0.278 0.000 1.077 831 T HN 0.695 nan 8.240 nan 0.000 0.531 832 N N 0.807 119.448 118.700 -0.097 0.000 2.635 832 N HA 0.147 4.840 4.740 -0.078 0.000 0.252 832 N C -2.014 173.473 175.510 -0.037 0.000 1.589 832 N CA -0.992 52.025 53.050 -0.055 0.000 0.828 832 N CB 1.007 39.479 38.487 -0.026 0.000 1.403 832 N HN 0.345 nan 8.380 nan 0.000 0.518 833 P HA -0.077 nan 4.420 nan 0.000 0.214 833 P C 0.703 178.200 177.300 0.328 0.000 1.162 833 P CA 0.811 63.916 63.100 0.008 0.000 0.871 833 P CB -0.151 31.395 31.700 -0.256 0.000 0.783 834 W N 1.053 122.366 121.300 0.022 0.000 3.124 834 W HA 0.191 4.827 4.660 -0.039 0.000 0.248 834 W C 0.714 177.217 176.519 -0.027 0.000 1.323 834 W CA -0.135 57.200 57.345 -0.017 0.000 1.450 834 W CB -0.766 28.639 29.460 -0.091 0.000 1.108 834 W HN 0.096 nan 8.180 nan 0.000 0.717 835 G N 1.781 110.711 108.800 0.216 0.000 2.331 835 G HA2 0.003 3.916 3.960 -0.078 0.000 0.254 835 G HA3 0.003 3.916 3.960 -0.078 0.000 0.254 835 G C -0.027 174.915 174.900 0.070 0.000 0.879 835 G CA -0.069 45.100 45.100 0.115 0.000 1.287 835 G HN 0.493 nan 8.290 nan 0.000 0.383 836 G N 0.038 108.858 108.800 0.033 0.000 2.798 836 G HA2 0.673 4.586 3.960 -0.078 0.000 0.286 836 G HA3 0.673 4.586 3.960 -0.078 0.000 0.286 836 G C -0.341 174.557 174.900 -0.002 0.000 1.389 836 G CA -0.306 44.790 45.100 -0.006 0.000 0.894 836 G HN 0.740 nan 8.290 nan 0.000 0.488 837 Q N 0.096 119.891 119.800 -0.009 0.000 2.325 837 Q HA 0.395 4.688 4.340 -0.078 0.000 0.256 837 Q C 1.169 177.169 176.000 -0.001 0.000 1.142 837 Q CA 0.985 56.790 55.803 0.002 0.000 0.902 837 Q CB 0.014 28.756 28.738 0.007 0.000 1.350 837 Q HN 1.552 nan 8.270 nan 0.000 0.449 838 A N 3.154 125.975 122.820 0.002 0.000 1.693 838 A HA -0.284 3.989 4.320 -0.078 0.000 0.227 838 A C 0.356 177.935 177.584 -0.008 0.000 0.457 838 A CA 1.690 53.727 52.037 -0.001 0.000 1.106 838 A CB -1.983 17.019 19.000 0.003 0.000 1.453 838 A HN 0.873 nan 8.150 nan 0.000 0.714 839 I N -4.237 116.328 120.570 -0.008 0.000 3.206 839 I HA 0.902 5.025 4.170 -0.078 0.000 0.313 839 I C 0.575 176.678 176.117 -0.022 0.000 1.103 839 I CA 0.024 61.319 61.300 -0.009 0.000 0.985 839 I CB 1.420 39.425 38.000 0.008 0.000 1.240 839 I HN 0.321 nan 8.210 nan 0.000 0.464 840 S N -0.015 115.675 115.700 -0.017 0.000 3.019 840 S HA 0.142 4.565 4.470 -0.078 0.000 0.258 840 S C 1.318 175.813 174.600 -0.175 0.000 1.082 840 S CA 0.200 58.321 58.200 -0.131 0.000 0.836 840 S CB -0.012 63.019 63.200 -0.281 0.000 0.834 840 S HN 0.852 nan 8.310 nan 0.000 0.457 841 H N 1.588 120.614 119.070 -0.073 0.000 2.431 841 H HA 0.337 4.848 4.556 -0.076 0.000 0.295 841 H C 0.344 175.908 175.328 0.394 0.000 1.038 841 H CA 0.473 56.597 56.048 0.127 0.000 1.360 841 H CB -0.191 29.527 29.762 -0.074 0.000 1.433 841 H HN 0.207 nan 8.280 nan 0.000 0.536 842 Q N 1.060 121.082 119.800 0.370 0.000 2.332 842 Q HA 0.244 4.537 4.340 -0.078 0.000 0.263 842 Q C -0.037 176.137 176.000 0.290 0.000 0.979 842 Q CA 0.224 56.272 55.803 0.408 0.000 0.885 842 Q CB 1.089 29.952 28.738 0.208 0.000 1.218 842 Q HN 0.233 nan 8.270 nan 0.000 0.405 843 R N 1.952 122.638 120.500 0.311 0.000 2.607 843 R HA 0.426 4.718 4.340 -0.078 0.000 0.278 843 R C -1.632 174.832 176.300 0.272 0.000 1.637 843 R CA -0.393 55.851 56.100 0.241 0.000 1.325 843 R CB 0.885 31.329 30.300 0.240 0.000 1.211 843 R HN 0.536 nan 8.270 nan 0.000 0.565 844 V N 3.600 123.612 119.914 0.162 0.000 2.617 844 V HA 0.503 4.576 4.120 -0.078 0.000 0.298 844 V C -0.753 175.379 176.094 0.063 0.000 1.048 844 V CA -0.422 61.938 62.300 0.100 0.000 0.964 844 V CB 1.717 33.565 31.823 0.042 0.000 1.004 844 V HN 0.826 nan 8.190 nan 0.000 0.466 845 N N 5.496 124.221 118.700 0.041 0.000 2.284 845 N HA 0.587 5.280 4.740 -0.078 0.000 0.300 845 N C -1.292 174.062 175.510 -0.260 0.000 1.047 845 N CA -0.644 52.307 53.050 -0.165 0.000 0.821 845 N CB 2.092 40.507 38.487 -0.121 0.000 1.337 845 N HN 0.571 nan 8.380 nan 0.000 0.482 846 I N 3.219 123.544 120.570 -0.408 0.000 2.521 846 I HA 0.205 4.328 4.170 -0.078 0.000 0.277 846 I C -1.091 174.802 176.117 -0.374 0.000 1.054 846 I CA -0.584 60.557 61.300 -0.265 0.000 1.117 846 I CB 0.539 38.446 38.000 -0.155 0.000 1.217 846 I HN 0.423 nan 8.210 nan 0.000 0.469 847 Y N 6.200 126.388 120.300 -0.185 0.000 2.436 847 Y HA 0.346 4.849 4.550 -0.078 0.000 0.343 847 Y C 0.224 176.117 175.900 -0.012 0.000 1.008 847 Y CA -0.214 57.735 58.100 -0.251 0.000 1.241 847 Y CB 0.484 38.659 38.460 -0.476 0.000 1.153 847 Y HN 0.345 nan 8.280 nan 0.000 0.521 848 L N 3.871 125.210 121.223 0.193 0.000 2.295 848 L HA 0.802 5.095 4.340 -0.078 0.000 0.285 848 L C 0.660 177.688 176.870 0.262 0.000 1.035 848 L CA -0.272 54.683 54.840 0.192 0.000 0.806 848 L CB 1.352 43.482 42.059 0.119 0.000 1.214 848 L HN 0.850 nan 8.230 nan 0.000 0.426 849 G N 1.717 110.635 108.800 0.197 0.000 2.772 849 G HA2 0.445 4.358 3.960 -0.078 0.000 0.284 849 G HA3 0.445 4.358 3.960 -0.078 0.000 0.284 849 G C -0.615 174.340 174.900 0.092 0.000 1.217 849 G CA -0.427 44.777 45.100 0.173 0.000 0.831 849 G HN 0.497 nan 8.290 nan 0.000 0.523 850 K N -0.352 120.084 120.400 0.059 0.000 2.644 850 K HA 0.384 4.657 4.320 -0.078 0.000 0.198 850 K C 0.717 177.281 176.600 -0.060 0.000 1.113 850 K CA 0.177 56.467 56.287 0.006 0.000 1.073 850 K CB 1.505 34.010 32.500 0.007 0.000 0.811 850 K HN 1.363 nan 8.250 nan 0.000 0.508 851 G N 2.177 110.922 108.800 -0.092 0.000 2.273 851 G HA2 -0.290 3.623 3.960 -0.078 0.000 0.280 851 G HA3 -0.290 3.623 3.960 -0.078 0.000 0.280 851 G C -0.441 174.247 174.900 -0.355 0.000 1.047 851 G CA 0.364 45.223 45.100 -0.402 0.000 0.869 851 G HN 0.402 nan 8.290 nan 0.000 0.502 852 E N -0.686 119.491 120.200 -0.038 0.000 2.222 852 E HA 0.608 4.911 4.350 -0.078 0.000 0.272 852 E C 1.070 177.777 176.600 0.179 0.000 0.982 852 E CA -0.124 56.306 56.400 0.051 0.000 0.842 852 E CB 1.379 31.097 29.700 0.030 0.000 1.144 852 E HN 1.298 nan 8.360 nan 0.000 0.397 853 G N 0.773 109.665 108.800 0.154 0.000 2.569 853 G HA2 -0.129 3.784 3.960 -0.078 0.000 0.259 853 G HA3 -0.129 3.784 3.960 -0.078 0.000 0.259 853 G C 0.245 175.234 174.900 0.148 0.000 1.263 853 G CA -0.447 44.726 45.100 0.121 0.000 0.928 853 G HN 0.852 nan 8.290 nan 0.000 0.572 854 G N -1.499 107.315 108.800 0.022 0.000 3.247 854 G HA2 0.810 4.723 3.960 -0.078 0.000 0.226 854 G HA3 0.810 4.723 3.960 -0.078 0.000 0.226 854 G C 0.479 175.316 174.900 -0.105 0.000 1.220 854 G CA 0.741 45.779 45.100 -0.104 0.000 0.875 854 G HN 2.294 nan 8.290 nan 0.000 0.606 855 A N -0.301 122.456 122.820 -0.105 0.000 2.591 855 A HA 0.478 4.751 4.320 -0.078 0.000 0.244 855 A C 0.205 177.776 177.584 -0.022 0.000 1.031 855 A CA 0.984 52.981 52.037 -0.066 0.000 0.767 855 A CB -0.611 18.358 19.000 -0.051 0.000 0.942 855 A HN 0.724 nan 8.150 nan 0.000 0.514 856 T N 5.842 120.402 114.554 0.010 0.000 2.928 856 T HA 0.556 4.859 4.350 -0.078 0.000 0.296 856 T C -2.860 171.892 174.700 0.087 0.000 1.000 856 T CA -0.761 61.369 62.100 0.050 0.000 0.989 856 T CB 1.933 70.853 68.868 0.085 0.000 1.005 856 T HN 0.583 nan 8.240 nan 0.000 0.442 857 P HA 0.201 nan 4.420 nan 0.000 0.268 857 P C 0.420 177.818 177.300 0.162 0.000 1.205 857 P CA 0.059 63.206 63.100 0.078 0.000 0.771 857 P CB 0.697 32.433 31.700 0.061 0.000 0.858 858 G N 2.634 111.421 108.800 -0.021 0.000 2.504 858 G HA2 0.358 4.271 3.960 -0.078 0.000 0.257 858 G HA3 0.358 4.271 3.960 -0.078 0.000 0.257 858 G C -0.031 174.947 174.900 0.130 0.000 1.451 858 G CA -0.886 44.116 45.100 -0.164 0.000 1.059 858 G HN 0.444 nan 8.290 nan 0.000 0.550 859 L N 2.082 123.390 121.223 0.141 0.000 2.452 859 L HA 0.147 4.440 4.340 -0.078 0.000 0.267 859 L C -0.725 176.126 176.870 -0.032 0.000 1.188 859 L CA -1.390 53.490 54.840 0.066 0.000 0.821 859 L CB 0.921 42.944 42.059 -0.059 0.000 1.102 859 L HN 0.372 nan 8.230 nan 0.000 0.470 860 P HA -0.256 nan 4.420 nan 0.000 0.216 860 P C 1.143 178.382 177.300 -0.101 0.000 0.860 860 P CA 1.825 64.893 63.100 -0.054 0.000 1.042 860 P CB -0.168 31.502 31.700 -0.050 0.000 0.716 861 G N -1.940 106.781 108.800 -0.132 0.000 2.687 861 G HA2 -0.172 3.741 3.960 -0.078 0.000 0.209 861 G HA3 -0.172 3.741 3.960 -0.078 0.000 0.209 861 G C 1.335 176.096 174.900 -0.232 0.000 1.146 861 G CA 1.107 46.115 45.100 -0.153 0.000 0.787 861 G HN 0.306 nan 8.290 nan 0.000 0.532 862 T N 0.661 115.045 114.554 -0.284 0.000 2.812 862 T HA -0.060 4.243 4.350 -0.078 0.000 0.264 862 T C 1.352 175.991 174.700 -0.101 0.000 1.042 862 T CA 0.936 62.819 62.100 -0.362 0.000 1.140 862 T CB -0.289 68.396 68.868 -0.305 0.000 0.870 862 T HN 0.677 nan 8.240 nan 0.000 0.445 863 N N 0.985 119.640 118.700 -0.076 0.000 2.776 863 N HA -0.138 4.555 4.740 -0.078 0.000 0.249 863 N C -0.461 175.049 175.510 -0.001 0.000 1.111 863 N CA 0.392 53.413 53.050 -0.048 0.000 0.711 863 N CB -1.386 37.052 38.487 -0.082 0.000 1.065 863 N HN 0.618 nan 8.380 nan 0.000 0.556 864 I N -3.914 116.664 120.570 0.014 0.000 3.095 864 I HA 0.625 4.748 4.170 -0.078 0.000 0.310 864 I C -1.177 174.925 176.117 -0.024 0.000 1.196 864 I CA -0.872 60.442 61.300 0.023 0.000 0.985 864 I CB 2.177 40.225 38.000 0.079 0.000 1.250 864 I HN -0.223 nan 8.210 nan 0.000 0.446 865 N N 2.959 121.640 118.700 -0.032 0.000 2.402 865 N HA 0.646 5.339 4.740 -0.078 0.000 0.294 865 N C -1.322 174.136 175.510 -0.087 0.000 1.203 865 N CA -0.477 52.542 53.050 -0.052 0.000 0.838 865 N CB 2.032 40.505 38.487 -0.024 0.000 1.306 865 N HN 0.430 nan 8.380 nan 0.000 0.510 866 L N 0.966 122.133 121.223 -0.093 0.000 2.334 866 L HA 0.371 4.664 4.340 -0.078 0.000 0.273 866 L C 1.828 178.676 176.870 -0.035 0.000 1.013 866 L CA -0.323 54.468 54.840 -0.082 0.000 0.816 866 L CB 1.231 43.216 42.059 -0.123 0.000 1.278 866 L HN 0.755 nan 8.230 nan 0.000 0.431 867 E N 0.827 121.006 120.200 -0.035 0.000 2.130 867 E HA -0.173 4.130 4.350 -0.078 0.000 0.196 867 E C -0.426 175.947 176.600 -0.379 0.000 0.998 867 E CA 1.511 57.820 56.400 -0.152 0.000 0.806 867 E CB 0.269 29.937 29.700 -0.053 0.000 0.738 867 E HN 0.686 nan 8.360 nan 0.000 0.459 868 H N -2.269 116.836 119.070 0.059 0.000 2.960 868 H HA 0.551 5.060 4.556 -0.078 0.000 0.338 868 H C -0.905 174.493 175.328 0.117 0.000 1.261 868 H CA -0.425 55.664 56.048 0.068 0.000 1.136 868 H CB 1.555 31.354 29.762 0.061 0.000 1.875 868 H HN 0.125 nan 8.280 nan 0.000 0.550 869 A N 1.384 124.337 122.820 0.221 0.000 2.425 869 A HA 0.292 4.565 4.320 -0.078 0.000 0.242 869 A C -0.682 177.035 177.584 0.222 0.000 1.077 869 A CA -0.308 51.802 52.037 0.121 0.000 0.781 869 A CB 0.003 19.010 19.000 0.012 0.000 1.020 869 A HN 0.599 nan 8.150 nan 0.000 0.494 870 W N 1.149 122.495 121.300 0.078 0.000 2.819 870 W HA 0.505 5.118 4.660 -0.078 0.000 0.337 870 W C -1.327 175.251 176.519 0.097 0.000 1.077 870 W CA -0.995 56.416 57.345 0.110 0.000 1.226 870 W CB 0.810 30.383 29.460 0.189 0.000 1.419 870 W HN 0.624 nan 8.180 nan 0.000 0.502 871 D N 1.618 122.173 120.400 0.257 0.000 2.240 871 D HA -0.026 4.567 4.640 -0.078 0.000 0.206 871 D C 0.808 177.260 176.300 0.253 0.000 0.963 871 D CA 1.405 55.477 54.000 0.121 0.000 0.863 871 D CB 0.537 41.399 40.800 0.104 0.000 0.973 871 D HN 0.355 nan 8.370 nan 0.000 0.501 872 S N -1.107 114.890 115.700 0.494 0.000 2.570 872 S HA 0.572 4.995 4.470 -0.078 0.000 0.270 872 S C -1.276 173.578 174.600 0.424 0.000 1.149 872 S CA -0.919 57.577 58.200 0.494 0.000 0.837 872 S CB 2.371 65.702 63.200 0.217 0.000 1.124 872 S HN -0.093 nan 8.310 nan 0.000 0.465 873 V N 2.105 122.137 119.914 0.196 0.000 2.709 873 V HA 0.640 4.713 4.120 -0.078 0.000 0.308 873 V C -1.330 174.663 176.094 -0.168 0.000 1.062 873 V CA -1.113 61.035 62.300 -0.253 0.000 0.901 873 V CB 1.489 32.829 31.823 -0.805 0.000 1.003 873 V HN 0.964 nan 8.190 nan 0.000 0.425 874 I N 6.726 127.122 120.570 -0.290 0.000 2.304 874 I HA 0.393 4.516 4.170 -0.078 0.000 0.291 874 I C -0.449 175.556 176.117 -0.186 0.000 1.018 874 I CA -0.605 60.550 61.300 -0.241 0.000 1.260 874 I CB 1.669 39.406 38.000 -0.438 0.000 1.390 874 I HN 0.303 nan 8.210 nan 0.000 0.475 875 V N 5.510 125.407 119.914 -0.029 0.000 2.350 875 V HA 0.236 4.309 4.120 -0.078 0.000 0.276 875 V C 0.266 176.373 176.094 0.021 0.000 1.028 875 V CA -0.381 61.917 62.300 -0.002 0.000 0.860 875 V CB 1.314 33.181 31.823 0.073 0.000 0.990 875 V HN 0.694 nan 8.190 nan 0.000 0.453 876 T N 4.129 118.687 114.554 0.006 0.000 3.016 876 T HA 0.307 4.610 4.350 -0.078 0.000 0.335 876 T C -0.549 174.179 174.700 0.048 0.000 1.176 876 T CA -0.155 61.958 62.100 0.022 0.000 0.987 876 T CB -0.109 68.768 68.868 0.015 0.000 1.073 876 T HN 0.678 nan 8.240 nan 0.000 0.547 877 D N 2.390 122.818 120.400 0.047 0.000 2.479 877 D HA 0.274 4.867 4.640 -0.078 0.000 0.246 877 D C 0.388 176.695 176.300 0.012 0.000 1.336 877 D CA -0.496 53.527 54.000 0.039 0.000 0.967 877 D CB 1.326 42.155 40.800 0.049 0.000 1.275 877 D HN 0.558 nan 8.370 nan 0.000 0.577 878 G N 2.885 111.679 108.800 -0.011 0.000 3.581 878 G HA2 0.261 4.174 3.960 -0.078 0.000 0.255 878 G HA3 0.261 4.174 3.960 -0.078 0.000 0.255 878 G C 0.395 175.239 174.900 -0.092 0.000 1.121 878 G CA -0.305 44.779 45.100 -0.027 0.000 1.739 878 G HN 0.226 nan 8.290 nan 0.000 0.646 879 R N -0.381 120.027 120.500 -0.154 0.000 2.522 879 R HA 0.464 4.757 4.340 -0.078 0.000 0.283 879 R C -0.050 176.045 176.300 -0.343 0.000 1.074 879 R CA -1.092 54.748 56.100 -0.433 0.000 0.925 879 R CB 0.238 30.127 30.300 -0.684 0.000 1.205 879 R HN 0.264 nan 8.270 nan 0.000 0.436 880 F N 2.313 122.294 119.950 0.052 0.000 2.988 880 F HA -0.340 4.136 4.527 -0.086 0.000 0.287 880 F C 0.516 176.345 175.800 0.049 0.000 0.781 880 F CA 0.823 58.849 58.000 0.043 0.000 1.221 880 F CB -1.220 37.802 39.000 0.037 0.000 1.392 880 F HN 0.835 nan 8.300 nan 0.000 0.425 881 D N 0.531 121.033 120.400 0.169 0.000 2.751 881 D HA -0.172 4.421 4.640 -0.078 0.000 0.233 881 D C 0.950 177.348 176.300 0.163 0.000 1.149 881 D CA 1.243 55.322 54.000 0.131 0.000 0.682 881 D CB -0.988 39.882 40.800 0.117 0.000 1.068 881 D HN 0.681 nan 8.370 nan 0.000 0.429 882 G N -0.899 108.005 108.800 0.173 0.000 3.448 882 G HA2 0.507 4.420 3.960 -0.078 0.000 0.261 882 G HA3 0.507 4.420 3.960 -0.078 0.000 0.261 882 G C 0.418 175.450 174.900 0.220 0.000 1.173 882 G CA 0.284 45.502 45.100 0.198 0.000 0.835 882 G HN 0.600 nan 8.290 nan 0.000 0.534 883 A N -0.602 122.332 122.820 0.189 0.000 2.311 883 A HA 0.999 5.272 4.320 -0.078 0.000 0.334 883 A C 0.520 178.187 177.584 0.138 0.000 1.139 883 A CA 0.053 52.192 52.037 0.169 0.000 0.830 883 A CB 1.406 20.452 19.000 0.076 0.000 1.234 883 A HN 1.556 nan 8.150 nan 0.000 0.483 884 G N -1.650 107.200 108.800 0.083 0.000 2.369 884 G HA2 0.448 4.361 3.960 -0.078 0.000 0.295 884 G HA3 0.448 4.361 3.960 -0.078 0.000 0.295 884 G C -1.169 173.623 174.900 -0.180 0.000 1.298 884 G CA -0.041 44.979 45.100 -0.133 0.000 0.940 884 G HN 1.953 nan 8.290 nan 0.000 0.536 885 V N 0.461 120.202 119.914 -0.289 0.000 2.407 885 V HA 0.788 4.861 4.120 -0.078 0.000 0.278 885 V C -0.979 174.949 176.094 -0.277 0.000 1.037 885 V CA -0.706 61.492 62.300 -0.170 0.000 0.900 885 V CB 0.461 32.222 31.823 -0.103 0.000 0.983 885 V HN 0.720 nan 8.190 nan 0.000 0.459 886 Y N 4.792 125.114 120.300 0.038 0.000 2.393 886 Y HA 0.755 5.258 4.550 -0.079 0.000 0.341 886 Y C 0.631 176.666 175.900 0.224 0.000 0.988 886 Y CA -0.248 57.915 58.100 0.105 0.000 1.078 886 Y CB 1.960 40.477 38.460 0.095 0.000 1.203 886 Y HN 0.852 nan 8.280 nan 0.000 0.453 887 A N 4.190 127.198 122.820 0.314 0.000 2.313 887 A HA 0.321 4.594 4.320 -0.078 0.000 0.261 887 A C -1.527 176.212 177.584 0.258 0.000 1.090 887 A CA -1.393 50.783 52.037 0.231 0.000 0.807 887 A CB -0.093 18.970 19.000 0.105 0.000 1.055 887 A HN 0.633 nan 8.150 nan 0.000 0.492 888 P HA -0.177 nan 4.420 nan 0.000 0.223 888 P C 0.212 177.519 177.300 0.010 0.000 1.144 888 P CA 1.691 64.629 63.100 -0.270 0.000 0.783 888 P CB -0.180 31.055 31.700 -0.776 0.000 0.771 889 D N -1.823 118.596 120.400 0.033 0.000 2.328 889 D HA 0.156 4.749 4.640 -0.078 0.000 0.226 889 D C 1.442 177.800 176.300 0.096 0.000 1.066 889 D CA 0.476 54.505 54.000 0.048 0.000 0.861 889 D CB -0.669 40.145 40.800 0.022 0.000 0.912 889 D HN 0.226 nan 8.370 nan 0.000 0.521 890 G N -0.793 108.106 108.800 0.166 0.000 2.194 890 G HA2 -0.265 3.648 3.960 -0.078 0.000 0.236 890 G HA3 -0.265 3.648 3.960 -0.078 0.000 0.236 890 G C 0.442 175.498 174.900 0.261 0.000 0.987 890 G CA 0.177 45.381 45.100 0.173 0.000 0.635 890 G HN 0.431 nan 8.290 nan 0.000 0.520 891 T N 1.304 115.985 114.554 0.212 0.000 2.834 891 T HA 0.386 4.689 4.350 -0.078 0.000 0.298 891 T C 0.654 175.470 174.700 0.192 0.000 0.966 891 T CA 0.121 62.325 62.100 0.174 0.000 1.141 891 T CB 1.112 70.034 68.868 0.091 0.000 0.905 891 T HN 0.505 nan 8.240 nan 0.000 0.535 892 R N 2.845 123.397 120.500 0.087 0.000 2.220 892 R HA 0.151 4.444 4.340 -0.078 0.000 0.340 892 R C 1.572 177.760 176.300 -0.188 0.000 1.076 892 R CA -0.153 55.756 56.100 -0.318 0.000 0.920 892 R CB 0.146 30.179 30.300 -0.445 0.000 1.062 892 R HN 0.816 nan 8.270 nan 0.000 0.469 893 T N -0.298 114.157 114.554 -0.166 0.000 3.085 893 T HA 0.039 4.342 4.350 -0.078 0.000 0.263 893 T C 0.592 175.234 174.700 -0.097 0.000 1.127 893 T CA 0.381 62.431 62.100 -0.083 0.000 1.103 893 T CB 0.123 68.973 68.868 -0.031 0.000 0.921 893 T HN 0.356 nan 8.240 nan 0.000 0.510 894 S N -0.755 114.846 115.700 -0.165 0.000 2.565 894 S HA 0.630 5.053 4.470 -0.078 0.000 0.274 894 S C -1.240 173.266 174.600 -0.156 0.000 1.144 894 S CA -0.438 57.689 58.200 -0.122 0.000 0.849 894 S CB 0.980 64.137 63.200 -0.071 0.000 1.103 894 S HN 0.732 nan 8.310 nan 0.000 0.455 895 A N 1.692 124.456 122.820 -0.093 0.000 2.271 895 A HA 0.884 5.157 4.320 -0.078 0.000 0.288 895 A C 0.141 177.695 177.584 -0.050 0.000 1.094 895 A CA -0.053 51.940 52.037 -0.073 0.000 0.828 895 A CB 0.556 19.535 19.000 -0.036 0.000 1.091 895 A HN 1.830 nan 8.150 nan 0.000 0.493 896 V N -1.935 117.960 119.914 -0.033 0.000 3.130 896 V HA 0.855 4.928 4.120 -0.078 0.000 0.310 896 V C -0.328 175.767 176.094 0.002 0.000 1.158 896 V CA -0.592 61.699 62.300 -0.015 0.000 1.029 896 V CB 1.630 33.438 31.823 -0.025 0.000 1.057 896 V HN 0.809 nan 8.190 nan 0.000 0.436 897 S N 2.584 118.290 115.700 0.011 0.000 2.472 897 S HA 0.798 5.221 4.470 -0.078 0.000 0.303 897 S C -0.606 174.004 174.600 0.016 0.000 1.099 897 S CA -0.592 57.617 58.200 0.015 0.000 1.077 897 S CB 1.177 64.388 63.200 0.018 0.000 1.031 897 S HN 0.701 nan 8.310 nan 0.000 0.487 898 L N 3.364 124.596 121.223 0.015 0.000 2.322 898 L HA 0.641 4.934 4.340 -0.078 0.000 0.281 898 L C -1.003 175.875 176.870 0.013 0.000 1.014 898 L CA -0.857 53.990 54.840 0.013 0.000 0.815 898 L CB 1.395 43.461 42.059 0.012 0.000 1.247 898 L HN 0.415 nan 8.230 nan 0.000 0.421 899 L N 3.208 124.437 121.223 0.011 0.000 2.386 899 L HA 0.841 5.134 4.340 -0.078 0.000 0.271 899 L C -0.525 176.353 176.870 0.012 0.000 0.993 899 L CA -0.192 54.658 54.840 0.017 0.000 0.819 899 L CB 1.872 43.950 42.059 0.032 0.000 1.294 899 L HN 0.645 nan 8.230 nan 0.000 0.414 900 A N 4.292 127.120 122.820 0.013 0.000 2.304 900 A HA 0.740 5.013 4.320 -0.078 0.000 0.323 900 A C -1.010 176.586 177.584 0.019 0.000 1.195 900 A CA -0.471 51.571 52.037 0.009 0.000 0.826 900 A CB 1.274 20.272 19.000 -0.003 0.000 1.184 900 A HN 0.568 nan 8.150 nan 0.000 0.496 901 V N 5.558 125.487 119.914 0.025 0.000 2.313 901 V HA 0.215 4.288 4.120 -0.078 0.000 0.262 901 V C -1.522 174.584 176.094 0.019 0.000 1.011 901 V CA -0.760 61.562 62.300 0.037 0.000 0.858 901 V CB 1.064 32.939 31.823 0.086 0.000 1.104 901 V HN 0.871 nan 8.190 nan 0.000 0.456 902 P HA -0.224 nan 4.420 nan 0.000 0.216 902 P C 1.369 178.663 177.300 -0.010 0.000 1.150 902 P CA 1.542 64.634 63.100 -0.014 0.000 0.837 902 P CB 0.444 32.128 31.700 -0.026 0.000 0.786 903 E N 0.658 120.856 120.200 -0.005 0.000 2.130 903 E HA -0.150 4.153 4.350 -0.078 0.000 0.196 903 E C 1.800 178.403 176.600 0.006 0.000 0.998 903 E CA 1.523 57.920 56.400 -0.004 0.000 0.806 903 E CB -0.818 28.879 29.700 -0.005 0.000 0.738 903 E HN 0.221 nan 8.360 nan 0.000 0.459 904 A N 0.622 123.453 122.820 0.019 0.000 2.390 904 A HA 0.245 4.518 4.320 -0.078 0.000 0.232 904 A C 0.578 178.178 177.584 0.026 0.000 1.233 904 A CA 0.040 52.096 52.037 0.032 0.000 0.907 904 A CB -0.089 18.947 19.000 0.060 0.000 0.967 904 A HN 0.195 nan 8.150 nan 0.000 0.512 905 R N -0.858 119.648 120.500 0.011 0.000 3.651 905 R HA -0.177 4.116 4.340 -0.078 0.000 0.292 905 R C -0.638 175.667 176.300 0.008 0.000 1.161 905 R CA 1.031 57.130 56.100 -0.001 0.000 0.787 905 R CB -2.297 28.000 30.300 -0.004 0.000 1.249 905 R HN 0.731 nan 8.270 nan 0.000 0.476 906 Q N 0.239 120.050 119.800 0.020 0.000 2.226 906 Q HA 0.646 4.939 4.340 -0.078 0.000 0.256 906 Q C -0.170 175.832 176.000 0.003 0.000 0.962 906 Q CA -0.669 55.145 55.803 0.018 0.000 0.887 906 Q CB 1.744 30.506 28.738 0.039 0.000 1.282 906 Q HN 0.195 nan 8.270 nan 0.000 0.449 907 I N 1.926 122.492 120.570 -0.007 0.000 2.448 907 I HA 0.274 4.397 4.170 -0.078 0.000 0.281 907 I C -0.922 175.179 176.117 -0.026 0.000 1.027 907 I CA -0.799 60.496 61.300 -0.008 0.000 1.111 907 I CB 1.629 39.633 38.000 0.006 0.000 1.236 907 I HN 0.253 nan 8.210 nan 0.000 0.452 908 V N 4.834 124.719 119.914 -0.048 0.000 2.465 908 V HA 0.389 4.462 4.120 -0.078 0.000 0.279 908 V C 0.278 176.359 176.094 -0.021 0.000 1.045 908 V CA -0.215 62.031 62.300 -0.089 0.000 0.938 908 V CB 1.519 33.241 31.823 -0.167 0.000 0.986 908 V HN 0.679 nan 8.190 nan 0.000 0.467 909 T N 5.313 119.877 114.554 0.018 0.000 2.864 909 T HA 0.421 4.724 4.350 -0.078 0.000 0.310 909 T C -0.147 174.605 174.700 0.088 0.000 1.040 909 T CA -0.642 61.484 62.100 0.043 0.000 0.977 909 T CB 0.609 69.496 68.868 0.032 0.000 0.976 909 T HN 0.493 nan 8.240 nan 0.000 0.459 910 R N 2.116 122.653 120.500 0.061 0.000 2.216 910 R HA 0.501 4.794 4.340 -0.078 0.000 0.332 910 R C -0.574 175.778 176.300 0.086 0.000 1.056 910 R CA -0.309 55.843 56.100 0.085 0.000 0.901 910 R CB 0.360 30.691 30.300 0.052 0.000 1.039 910 R HN 0.388 nan 8.270 nan 0.000 0.456 911 V N 6.353 126.359 119.914 0.154 0.000 2.378 911 V HA 0.371 4.444 4.120 -0.078 0.000 0.288 911 V C -2.000 174.182 176.094 0.147 0.000 1.016 911 V CA -2.245 60.133 62.300 0.130 0.000 0.840 911 V CB 1.706 33.609 31.823 0.134 0.000 0.994 911 V HN 0.687 nan 8.190 nan 0.000 0.431 912 P HA 0.122 nan 4.420 nan 0.000 0.267 912 P C 0.515 177.852 177.300 0.062 0.000 1.205 912 P CA -0.037 63.082 63.100 0.032 0.000 0.765 912 P CB 1.006 32.713 31.700 0.013 0.000 0.828 913 K N 2.982 123.353 120.400 -0.049 0.000 2.089 913 K HA -0.218 4.055 4.320 -0.078 0.000 0.210 913 K C 2.057 178.726 176.600 0.115 0.000 1.048 913 K CA 2.113 58.383 56.287 -0.028 0.000 0.926 913 K CB -0.688 31.637 32.500 -0.292 0.000 0.714 913 K HN 0.495 nan 8.250 nan 0.000 0.448 914 A N 1.502 124.350 122.820 0.047 0.000 2.024 914 A HA -0.152 4.121 4.320 -0.078 0.000 0.220 914 A C 2.342 179.965 177.584 0.064 0.000 1.164 914 A CA 1.792 53.859 52.037 0.051 0.000 0.643 914 A CB -0.634 18.380 19.000 0.023 0.000 0.806 914 A HN 0.376 nan 8.150 nan 0.000 0.451 915 A N -0.533 122.328 122.820 0.070 0.000 2.019 915 A HA 0.072 4.345 4.320 -0.078 0.000 0.219 915 A C 1.330 178.957 177.584 0.071 0.000 1.164 915 A CA 0.975 53.043 52.037 0.051 0.000 0.644 915 A CB -0.400 18.621 19.000 0.035 0.000 0.805 915 A HN 0.458 nan 8.150 nan 0.000 0.449 916 L N 0.817 122.116 121.223 0.127 0.000 2.783 916 L HA 0.245 4.538 4.340 -0.078 0.000 0.235 916 L C 1.057 177.995 176.870 0.113 0.000 1.260 916 L CA -0.538 54.376 54.840 0.123 0.000 1.184 916 L CB -0.257 41.898 42.059 0.160 0.000 1.472 916 L HN 0.355 nan 8.230 nan 0.000 0.426 917 G N 0.758 109.607 108.800 0.082 0.000 2.549 917 G HA2 -0.020 3.893 3.960 -0.078 0.000 0.316 917 G HA3 -0.020 3.893 3.960 -0.078 0.000 0.316 917 G C 1.250 176.192 174.900 0.070 0.000 0.391 917 G CA 0.662 45.802 45.100 0.067 0.000 1.275 917 G HN 0.904 nan 8.290 nan 0.000 0.372 918 G N -0.075 108.776 108.800 0.086 0.000 2.203 918 G HA2 -0.152 3.761 3.960 -0.078 0.000 0.263 918 G HA3 -0.152 3.761 3.960 -0.078 0.000 0.263 918 G C 0.357 175.304 174.900 0.079 0.000 1.012 918 G CA 0.494 45.642 45.100 0.081 0.000 0.749 918 G HN 1.565 nan 8.290 nan 0.000 0.512 919 L N 1.143 122.419 121.223 0.089 0.000 2.297 919 L HA 0.619 4.912 4.340 -0.078 0.000 0.277 919 L C -0.108 176.793 176.870 0.052 0.000 1.040 919 L CA -1.465 53.416 54.840 0.067 0.000 0.867 919 L CB 1.054 43.154 42.059 0.069 0.000 1.244 919 L HN 0.121 nan 8.230 nan 0.000 0.433 920 D N 6.724 127.151 120.400 0.045 0.000 2.371 920 D HA 0.160 4.753 4.640 -0.078 0.000 0.256 920 D C -1.593 174.668 176.300 -0.064 0.000 1.193 920 D CA -1.775 52.234 54.000 0.015 0.000 0.881 920 D CB 1.529 42.357 40.800 0.047 0.000 1.143 920 D HN 0.407 nan 8.370 nan 0.000 0.473 921 P HA -0.097 nan 4.420 nan 0.000 0.226 921 P C 0.870 178.088 177.300 -0.137 0.000 1.153 921 P CA 0.508 63.497 63.100 -0.186 0.000 0.777 921 P CB 0.215 31.689 31.700 -0.376 0.000 0.794 922 A N 0.556 123.313 122.820 -0.105 0.000 2.015 922 A HA -0.082 4.191 4.320 -0.078 0.000 0.219 922 A C 1.832 179.389 177.584 -0.044 0.000 1.163 922 A CA 2.143 54.140 52.037 -0.067 0.000 0.646 922 A CB -1.314 17.671 19.000 -0.026 0.000 0.806 922 A HN 0.384 nan 8.150 nan 0.000 0.448 923 T N -4.106 110.430 114.554 -0.030 0.000 3.231 923 T HA 0.659 4.962 4.350 -0.078 0.000 0.292 923 T C 0.258 174.951 174.700 -0.012 0.000 1.001 923 T CA 0.297 62.386 62.100 -0.018 0.000 0.920 923 T CB -0.022 68.842 68.868 -0.007 0.000 1.140 923 T HN 0.554 nan 8.240 nan 0.000 0.525 924 A N 1.627 124.440 122.820 -0.012 0.000 2.264 924 A HA 0.814 5.087 4.320 -0.078 0.000 0.304 924 A C 0.164 177.757 177.584 0.015 0.000 1.100 924 A CA -0.928 51.115 52.037 0.009 0.000 0.839 924 A CB 0.836 19.849 19.000 0.023 0.000 1.121 924 A HN 0.339 nan 8.150 nan 0.000 0.496 925 R N 0.259 120.779 120.500 0.033 0.000 2.540 925 R HA 0.663 4.956 4.340 -0.078 0.000 0.287 925 R C -0.613 175.738 176.300 0.086 0.000 0.980 925 R CA -0.177 55.948 56.100 0.042 0.000 0.966 925 R CB 1.401 31.715 30.300 0.024 0.000 1.106 925 R HN 0.926 nan 8.270 nan 0.000 0.480 926 M N -1.346 118.308 119.600 0.089 0.000 2.520 926 M HA 0.460 4.893 4.480 -0.078 0.000 0.280 926 M C -1.186 175.180 176.300 0.110 0.000 1.232 926 M CA -0.812 54.557 55.300 0.115 0.000 0.892 926 M CB 2.423 35.088 32.600 0.109 0.000 1.728 926 M HN 0.169 nan 8.290 nan 0.000 0.475 927 S N 1.357 117.142 115.700 0.142 0.000 2.482 927 S HA 0.818 5.241 4.470 -0.078 0.000 0.303 927 S C -0.769 173.913 174.600 0.136 0.000 1.091 927 S CA -0.696 57.583 58.200 0.132 0.000 1.057 927 S CB 2.139 65.418 63.200 0.132 0.000 1.031 927 S HN 0.517 nan 8.310 nan 0.000 0.485 928 V N 1.956 121.914 119.914 0.073 0.000 2.487 928 V HA 0.892 4.965 4.120 -0.078 0.000 0.298 928 V C -0.219 175.859 176.094 -0.026 0.000 1.028 928 V CA -0.611 61.706 62.300 0.028 0.000 0.860 928 V CB 1.303 33.134 31.823 0.013 0.000 0.991 928 V HN 0.999 nan 8.190 nan 0.000 0.427 929 A N 4.973 127.744 122.820 -0.082 0.000 2.449 929 A HA 0.938 5.211 4.320 -0.078 0.000 0.302 929 A C -1.022 176.256 177.584 -0.511 0.000 1.048 929 A CA -0.661 51.181 52.037 -0.325 0.000 0.708 929 A CB 1.875 20.649 19.000 -0.376 0.000 1.274 929 A HN 0.909 nan 8.150 nan 0.000 0.410 930 M N 2.692 121.939 119.600 -0.588 0.000 2.167 930 M HA 0.779 5.212 4.480 -0.078 0.000 0.333 930 M C -1.990 173.930 176.300 -0.634 0.000 1.030 930 M CA -0.622 54.440 55.300 -0.396 0.000 0.963 930 M CB -0.325 32.209 32.600 -0.110 0.000 1.589 930 M HN 0.498 nan 8.290 nan 0.000 0.431 931 F N 1.658 121.571 119.950 -0.061 0.000 2.661 931 F HA 0.895 5.375 4.527 -0.079 0.000 0.347 931 F C 0.870 176.577 175.800 -0.155 0.000 1.086 931 F CA -1.063 56.830 58.000 -0.179 0.000 1.016 931 F CB 1.287 40.231 39.000 -0.094 0.000 1.368 931 F HN 0.611 nan 8.300 nan 0.000 0.505 932 G N 0.658 109.486 108.800 0.046 0.000 2.343 932 G HA2 0.253 4.165 3.960 -0.078 0.000 0.319 932 G HA3 0.253 4.165 3.960 -0.078 0.000 0.319 932 G C -0.988 174.104 174.900 0.320 0.000 1.126 932 G CA -0.689 44.518 45.100 0.179 0.000 0.889 932 G HN 0.641 nan 8.290 nan 0.000 0.457 933 N N 1.078 119.983 118.700 0.342 0.000 2.453 933 N HA 0.468 5.161 4.740 -0.078 0.000 0.253 933 N C -0.192 175.487 175.510 0.283 0.000 1.252 933 N CA 0.454 53.653 53.050 0.248 0.000 0.917 933 N CB 1.411 39.993 38.487 0.159 0.000 1.117 933 N HN 0.663 nan 8.380 nan 0.000 0.442 934 A N 1.805 124.794 122.820 0.281 0.000 2.610 934 A HA 0.379 4.652 4.320 -0.078 0.000 0.291 934 A C -1.038 176.772 177.584 0.376 0.000 1.086 934 A CA -0.770 51.454 52.037 0.312 0.000 0.677 934 A CB 0.948 20.093 19.000 0.242 0.000 1.278 934 A HN 0.725 nan 8.150 nan 0.000 0.414 935 E N 0.644 121.014 120.200 0.284 0.000 2.373 935 E HA 0.290 4.593 4.350 -0.078 0.000 0.263 935 E C 1.157 177.756 176.600 -0.001 0.000 1.073 935 E CA 0.290 56.727 56.400 0.062 0.000 0.894 935 E CB 0.962 30.628 29.700 -0.056 0.000 1.008 935 E HN 0.740 nan 8.360 nan 0.000 0.420 936 S N 1.939 117.575 115.700 -0.106 0.000 2.372 936 S HA -0.215 4.208 4.470 -0.078 0.000 0.227 936 S C 1.948 176.531 174.600 -0.027 0.000 1.044 936 S CA 1.201 59.364 58.200 -0.061 0.000 1.050 936 S CB -0.776 62.364 63.200 -0.101 0.000 0.901 936 S HN 0.743 nan 8.310 nan 0.000 0.447 937 G N 0.923 109.694 108.800 -0.047 0.000 2.586 937 G HA2 -0.025 3.888 3.960 -0.078 0.000 0.215 937 G HA3 -0.025 3.888 3.960 -0.078 0.000 0.215 937 G C 1.168 176.101 174.900 0.055 0.000 1.128 937 G CA 0.495 45.588 45.100 -0.012 0.000 0.774 937 G HN 0.703 nan 8.290 nan 0.000 0.543 938 E N -0.835 119.410 120.200 0.074 0.000 2.452 938 E HA 0.366 4.669 4.350 -0.078 0.000 0.197 938 E C 0.961 177.677 176.600 0.193 0.000 1.022 938 E CA 0.230 56.728 56.400 0.163 0.000 0.890 938 E CB 0.738 30.531 29.700 0.154 0.000 0.918 938 E HN 0.333 nan 8.360 nan 0.000 0.496 939 G N 1.424 110.292 108.800 0.113 0.000 2.376 939 G HA2 0.181 4.094 3.960 -0.078 0.000 0.302 939 G HA3 0.181 4.094 3.960 -0.078 0.000 0.302 939 G C -0.782 174.133 174.900 0.025 0.000 1.586 939 G CA -1.126 44.021 45.100 0.077 0.000 0.907 939 G HN 0.124 nan 8.290 nan 0.000 0.655 940 I N 0.020 120.585 120.570 -0.008 0.000 2.710 940 I HA 0.421 4.544 4.170 -0.078 0.000 0.286 940 I C 1.493 177.579 176.117 -0.051 0.000 1.181 940 I CA 0.784 62.065 61.300 -0.032 0.000 1.430 940 I CB 0.556 38.529 38.000 -0.044 0.000 1.367 940 I HN 1.960 nan 8.210 nan 0.000 0.577 941 G N 4.323 113.091 108.800 -0.053 0.000 2.168 941 G HA2 -0.352 3.561 3.960 -0.078 0.000 0.257 941 G HA3 -0.352 3.561 3.960 -0.078 0.000 0.257 941 G C 0.401 175.266 174.900 -0.059 0.000 0.997 941 G CA 0.324 45.376 45.100 -0.080 0.000 0.708 941 G HN 0.982 nan 8.290 nan 0.000 0.520 942 N N -2.664 116.038 118.700 0.003 0.000 2.783 942 N HA -0.170 4.523 4.740 -0.078 0.000 0.247 942 N C -0.009 175.541 175.510 0.067 0.000 1.089 942 N CA 1.297 54.397 53.050 0.083 0.000 0.690 942 N CB -1.341 37.229 38.487 0.139 0.000 0.991 942 N HN 0.852 nan 8.380 nan 0.000 0.552 943 V N 0.741 120.669 119.914 0.023 0.000 2.444 943 V HA 0.291 4.364 4.120 -0.078 0.000 0.294 943 V C 0.886 177.039 176.094 0.099 0.000 1.022 943 V CA -0.847 61.461 62.300 0.013 0.000 0.850 943 V CB 2.228 33.954 31.823 -0.161 0.000 0.992 943 V HN 0.200 nan 8.190 nan 0.000 0.426 944 R N 7.535 128.157 120.500 0.204 0.000 2.343 944 R HA 0.249 4.542 4.340 -0.078 0.000 0.326 944 R C -2.226 174.237 176.300 0.273 0.000 1.055 944 R CA -1.153 55.105 56.100 0.263 0.000 0.961 944 R CB 0.781 31.256 30.300 0.292 0.000 0.978 944 R HN 0.479 nan 8.270 nan 0.000 0.443 945 P HA -0.010 nan 4.420 nan 0.000 0.272 945 P C -0.779 176.445 177.300 -0.128 0.000 1.240 945 P CA -0.211 62.836 63.100 -0.088 0.000 0.791 945 P CB 1.002 32.548 31.700 -0.255 0.000 0.978 946 V N 2.140 121.816 119.914 -0.397 0.000 2.581 946 V HA 0.380 4.453 4.120 -0.078 0.000 0.303 946 V C -0.257 175.514 176.094 -0.538 0.000 1.041 946 V CA -0.272 61.790 62.300 -0.396 0.000 0.907 946 V CB 0.870 32.263 31.823 -0.718 0.000 0.994 946 V HN 0.473 nan 8.190 nan 0.000 0.442 947 Y N 0.105 120.389 120.300 -0.028 0.000 2.662 947 Y HA 0.453 4.955 4.550 -0.079 0.000 0.335 947 Y C 0.312 176.292 175.900 0.134 0.000 1.066 947 Y CA -1.261 56.903 58.100 0.107 0.000 1.116 947 Y CB 0.658 39.330 38.460 0.353 0.000 1.308 947 Y HN 0.652 nan 8.280 nan 0.000 0.502 948 D N 0.412 121.054 120.400 0.402 0.000 2.629 948 D HA -0.038 4.555 4.640 -0.078 0.000 0.228 948 D C 1.181 177.698 176.300 0.362 0.000 1.127 948 D CA 1.241 55.440 54.000 0.332 0.000 0.855 948 D CB 1.319 42.305 40.800 0.310 0.000 1.180 948 D HN 0.760 nan 8.370 nan 0.000 0.484 949 G N 3.107 112.071 108.800 0.273 0.000 2.453 949 G HA2 -0.190 3.723 3.960 -0.078 0.000 0.215 949 G HA3 -0.190 3.723 3.960 -0.078 0.000 0.215 949 G C 1.440 176.526 174.900 0.309 0.000 1.201 949 G CA 1.383 46.636 45.100 0.256 0.000 0.784 949 G HN 0.677 nan 8.290 nan 0.000 0.545 950 A N -0.040 122.931 122.820 0.252 0.000 1.908 950 A HA -0.080 4.193 4.320 -0.078 0.000 0.218 950 A C 2.255 179.974 177.584 0.225 0.000 1.181 950 A CA 1.911 54.074 52.037 0.210 0.000 0.627 950 A CB -0.796 18.304 19.000 0.166 0.000 0.818 950 A HN 0.546 nan 8.150 nan 0.000 0.445 951 Y N -1.288 119.093 120.300 0.136 0.000 2.165 951 Y HA -0.249 4.254 4.550 -0.079 0.000 0.286 951 Y C 2.116 178.067 175.900 0.085 0.000 1.155 951 Y CA 1.780 59.932 58.100 0.088 0.000 1.164 951 Y CB -0.742 37.776 38.460 0.096 0.000 0.978 951 Y HN 0.515 nan 8.280 nan 0.000 0.513 952 W N 1.435 122.634 121.300 -0.168 0.000 2.379 952 W HA -0.140 4.472 4.660 -0.080 0.000 0.307 952 W C 2.412 178.811 176.519 -0.199 0.000 1.200 952 W CA 2.234 59.414 57.345 -0.275 0.000 1.297 952 W CB -0.449 28.976 29.460 -0.060 0.000 1.140 952 W HN 0.208 nan 8.180 nan 0.000 0.507 953 E N 0.742 121.051 120.200 0.183 0.000 2.130 953 E HA -0.223 4.080 4.350 -0.078 0.000 0.196 953 E C 2.102 178.595 176.600 -0.178 0.000 0.998 953 E CA 2.181 58.600 56.400 0.031 0.000 0.806 953 E CB -0.723 29.084 29.700 0.178 0.000 0.738 953 E HN 0.239 nan 8.360 nan 0.000 0.459 954 A N -0.101 122.623 122.820 -0.160 0.000 1.902 954 A HA 0.078 4.351 4.320 -0.078 0.000 0.217 954 A C 1.975 179.392 177.584 -0.279 0.000 1.181 954 A CA 1.638 53.572 52.037 -0.171 0.000 0.623 954 A CB -1.050 17.883 19.000 -0.112 0.000 0.818 954 A HN 0.742 nan 8.150 nan 0.000 0.443 955 G N 0.192 108.725 108.800 -0.444 0.000 2.212 955 G HA2 -0.155 3.758 3.960 -0.078 0.000 0.255 955 G HA3 -0.155 3.758 3.960 -0.078 0.000 0.255 955 G C -0.479 174.187 174.900 -0.391 0.000 1.062 955 G CA 0.371 45.179 45.100 -0.487 0.000 0.815 955 G HN 1.079 nan 8.290 nan 0.000 0.497 956 D N 0.142 120.294 120.400 -0.413 0.000 2.440 956 D HA 0.479 5.072 4.640 -0.078 0.000 0.252 956 D C -1.509 174.579 176.300 -0.353 0.000 1.180 956 D CA -1.499 52.325 54.000 -0.292 0.000 0.894 956 D CB 2.228 42.940 40.800 -0.148 0.000 1.111 956 D HN 0.230 nan 8.370 nan 0.000 0.544 957 P HA 0.180 nan 4.420 nan 0.000 0.288 957 P C 0.646 177.654 177.300 -0.487 0.000 1.291 957 P CA -0.433 62.425 63.100 -0.403 0.000 0.766 957 P CB 0.786 32.274 31.700 -0.353 0.000 1.242 958 A N -0.345 122.320 122.820 -0.258 0.000 1.970 958 A HA -0.067 4.206 4.320 -0.078 0.000 0.216 958 A C 2.029 179.548 177.584 -0.108 0.000 1.170 958 A CA 0.824 52.761 52.037 -0.168 0.000 0.645 958 A CB -1.399 17.594 19.000 -0.010 0.000 0.816 958 A HN 0.772 nan 8.150 nan 0.000 0.447 959 W N -0.285 120.987 121.300 -0.046 0.000 2.525 959 W HA -0.023 4.601 4.660 -0.059 0.000 0.259 959 W C 1.156 177.695 176.519 0.033 0.000 1.253 959 W CA 0.287 57.691 57.345 0.099 0.000 1.262 959 W CB -0.908 28.566 29.460 0.023 0.000 1.122 959 W HN 0.148 nan 8.180 nan 0.000 0.607 960 I N 1.952 122.157 120.570 -0.608 0.000 2.163 960 I HA -0.215 3.908 4.170 -0.078 0.000 0.240 960 I C 2.383 178.300 176.117 -0.333 0.000 1.081 960 I CA 1.584 62.550 61.300 -0.557 0.000 1.353 960 I CB -1.365 36.082 38.000 -0.921 0.000 1.054 960 I HN -0.013 nan 8.210 nan 0.000 0.407 961 K N 0.619 120.626 120.400 -0.655 0.000 2.487 961 K HA -0.105 4.168 4.320 -0.078 0.000 0.192 961 K C 1.726 178.073 176.600 -0.422 0.000 1.027 961 K CA 0.516 56.175 56.287 -1.047 0.000 1.054 961 K CB 0.327 32.026 32.500 -1.333 0.000 0.824 961 K HN 0.309 nan 8.250 nan 0.000 0.510 962 E N -1.324 118.757 120.200 -0.199 0.000 2.399 962 E HA 0.001 4.304 4.350 -0.078 0.000 0.205 962 E C -0.052 176.289 176.600 -0.431 0.000 0.906 962 E CA 0.027 56.278 56.400 -0.248 0.000 0.998 962 E CB 0.391 30.003 29.700 -0.147 0.000 1.002 962 E HN 0.321 nan 8.360 nan 0.000 0.501 963 W N 0.908 122.237 121.300 0.049 0.000 2.007 963 W HA 0.356 4.985 4.660 -0.051 0.000 0.301 963 W C -0.231 176.255 176.519 -0.056 0.000 0.887 963 W CA -0.588 56.776 57.345 0.031 0.000 1.625 963 W CB 0.983 30.546 29.460 0.172 0.000 1.078 963 W HN -0.246 nan 8.180 nan 0.000 0.502 964 R N -0.155 120.409 120.500 0.107 0.000 2.774 964 R HA 0.460 4.753 4.340 -0.078 0.000 0.272 964 R C -0.928 175.359 176.300 -0.021 0.000 1.000 964 R CA -1.208 54.931 56.100 0.064 0.000 0.906 964 R CB 0.709 31.228 30.300 0.365 0.000 1.227 964 R HN -0.221 nan 8.270 nan 0.000 0.468 965 F N -0.213 119.768 119.950 0.051 0.000 2.410 965 F HA 0.590 5.073 4.527 -0.074 0.000 0.334 965 F C 1.421 176.973 175.800 -0.414 0.000 1.134 965 F CA 0.291 58.138 58.000 -0.256 0.000 1.227 965 F CB 1.015 39.787 39.000 -0.381 0.000 1.194 965 F HN 0.553 nan 8.300 nan 0.000 0.571 966 G N -0.937 107.433 108.800 -0.717 0.000 2.642 966 G HA2 0.512 4.425 3.960 -0.078 0.000 0.293 966 G HA3 0.512 4.425 3.960 -0.078 0.000 0.293 966 G C 0.167 174.801 174.900 -0.444 0.000 1.341 966 G CA -0.448 44.175 45.100 -0.795 0.000 0.916 966 G HN 1.174 nan 8.290 nan 0.000 0.474 967 G N -1.592 107.133 108.800 -0.125 0.000 2.179 967 G HA2 0.134 4.047 3.960 -0.078 0.000 0.220 967 G HA3 0.134 4.047 3.960 -0.078 0.000 0.220 967 G C 0.820 175.868 174.900 0.247 0.000 0.990 967 G CA 0.840 45.993 45.100 0.090 0.000 0.646 967 G HN 1.602 nan 8.290 nan 0.000 0.517 968 G N -0.069 108.758 108.800 0.044 0.000 2.992 968 G HA2 0.838 4.751 3.960 -0.078 0.000 0.201 968 G HA3 0.838 4.751 3.960 -0.078 0.000 0.201 968 G C 0.299 175.269 174.900 0.117 0.000 2.057 968 G CA 1.185 46.328 45.100 0.072 0.000 0.800 968 G HN 1.846 nan 8.290 nan 0.000 0.700 969 A N -2.316 120.435 122.820 -0.114 0.000 2.582 969 A HA 0.769 5.042 4.320 -0.078 0.000 0.297 969 A C -0.046 177.505 177.584 -0.054 0.000 1.059 969 A CA 0.560 52.581 52.037 -0.027 0.000 0.705 969 A CB 0.766 19.693 19.000 -0.122 0.000 1.279 969 A HN 2.511 nan 8.150 nan 0.000 0.404 970 G N -0.938 107.889 108.800 0.045 0.000 2.541 970 G HA2 0.575 4.488 3.960 -0.078 0.000 0.686 970 G HA3 0.575 4.488 3.960 -0.078 0.000 0.686 970 G C -0.394 174.578 174.900 0.120 0.000 1.286 970 G CA 0.108 45.234 45.100 0.043 0.000 0.894 970 G HN 2.459 nan 8.290 nan 0.000 0.575 971 V N -2.178 117.747 119.914 0.018 0.000 3.158 971 V HA 0.895 4.968 4.120 -0.078 0.000 0.311 971 V C 0.260 176.423 176.094 0.116 0.000 1.181 971 V CA -0.933 61.181 62.300 -0.309 0.000 1.054 971 V CB 1.719 33.030 31.823 -0.854 0.000 1.085 971 V HN 1.934 nan 8.190 nan 0.000 0.446 972 F N 2.078 121.957 119.950 -0.119 0.000 2.484 972 F HA 0.623 5.104 4.527 -0.076 0.000 0.360 972 F C -0.097 175.767 175.800 0.106 0.000 1.101 972 F CA 0.545 58.581 58.000 0.061 0.000 1.251 972 F CB 0.754 39.756 39.000 0.003 0.000 1.132 972 F HN 0.857 nan 8.300 nan 0.000 0.570 973 D N 3.956 123.804 120.400 -0.921 0.000 2.386 973 D HA 0.224 4.817 4.640 -0.078 0.000 0.247 973 D C 0.562 176.332 176.300 -0.883 0.000 1.336 973 D CA -0.302 53.306 54.000 -0.653 0.000 0.976 973 D CB 1.189 41.828 40.800 -0.268 0.000 1.257 973 D HN 0.716 nan 8.370 nan 0.000 0.570 974 G N 1.913 110.262 108.800 -0.752 0.000 2.956 974 G HA2 -0.106 3.807 3.960 -0.078 0.000 0.207 974 G HA3 -0.106 3.807 3.960 -0.078 0.000 0.207 974 G C 1.224 176.061 174.900 -0.104 0.000 1.162 974 G CA 1.116 46.053 45.100 -0.272 0.000 0.796 974 G HN 0.535 nan 8.290 nan 0.000 0.527 975 T N -1.136 113.343 114.554 -0.126 0.000 3.009 975 T HA 0.219 4.522 4.350 -0.078 0.000 0.258 975 T C 1.180 175.840 174.700 -0.066 0.000 1.063 975 T CA 0.234 62.295 62.100 -0.066 0.000 1.139 975 T CB -0.011 68.826 68.868 -0.051 0.000 0.890 975 T HN 0.195 nan 8.240 nan 0.000 0.471 976 I N 0.152 120.667 120.570 -0.092 0.000 2.607 976 I HA 0.501 4.624 4.170 -0.078 0.000 0.305 976 I C -2.026 174.052 176.117 -0.065 0.000 0.995 976 I CA -3.061 58.197 61.300 -0.069 0.000 1.148 976 I CB 1.194 39.153 38.000 -0.068 0.000 1.323 976 I HN -0.205 nan 8.210 nan 0.000 0.461 977 P HA -0.166 nan 4.420 nan 0.000 0.219 977 P C 1.439 178.724 177.300 -0.026 0.000 1.146 977 P CA 1.863 64.944 63.100 -0.031 0.000 0.808 977 P CB 0.127 31.810 31.700 -0.029 0.000 0.779 978 S N -0.738 114.938 115.700 -0.041 0.000 2.428 978 S HA -0.073 4.350 4.470 -0.078 0.000 0.230 978 S C 1.345 175.935 174.600 -0.016 0.000 1.014 978 S CA 0.277 58.453 58.200 -0.040 0.000 0.957 978 S CB -0.759 62.405 63.200 -0.061 0.000 0.784 978 S HN -0.067 nan 8.310 nan 0.000 0.499 979 R N 0.663 121.134 120.500 -0.049 0.000 4.024 979 R HA -0.142 4.151 4.340 -0.078 0.000 0.391 979 R C -0.660 175.656 176.300 0.027 0.000 1.157 979 R CA 1.440 57.487 56.100 -0.089 0.000 1.215 979 R CB -2.596 27.787 30.300 0.138 0.000 1.738 979 R HN 0.678 nan 8.270 nan 0.000 0.566 980 D N -0.088 120.321 120.400 0.016 0.000 2.375 980 D HA 0.215 4.808 4.640 -0.078 0.000 0.247 980 D C 0.934 177.220 176.300 -0.023 0.000 1.061 980 D CA 0.367 54.393 54.000 0.044 0.000 0.834 980 D CB 1.310 42.010 40.800 -0.167 0.000 1.247 980 D HN 0.085 nan 8.370 nan 0.000 0.489 981 T N -0.044 114.513 114.554 0.005 0.000 3.148 981 T HA 0.086 4.388 4.350 -0.078 0.000 0.253 981 T C 0.246 174.917 174.700 -0.048 0.000 1.134 981 T CA -0.089 61.989 62.100 -0.037 0.000 1.051 981 T CB 0.179 69.022 68.868 -0.042 0.000 0.959 981 T HN 0.239 nan 8.240 nan 0.000 0.525 982 D N 1.390 121.746 120.400 -0.073 0.000 2.365 982 D HA 0.193 4.786 4.640 -0.078 0.000 0.235 982 D C 0.352 176.545 176.300 -0.177 0.000 1.368 982 D CA -0.359 53.578 54.000 -0.104 0.000 1.001 982 D CB 1.478 42.222 40.800 -0.094 0.000 1.364 982 D HN 0.167 nan 8.370 nan 0.000 0.577 983 T N -0.146 114.318 114.554 -0.150 0.000 3.244 983 T HA 0.163 4.466 4.350 -0.078 0.000 0.254 983 T C 0.685 175.280 174.700 -0.175 0.000 1.024 983 T CA -0.282 61.715 62.100 -0.172 0.000 0.920 983 T CB 0.253 69.049 68.868 -0.120 0.000 1.042 983 T HN 0.005 nan 8.240 nan 0.000 0.572 984 D N 2.621 122.898 120.400 -0.204 0.000 2.162 984 D HA -0.023 4.570 4.640 -0.078 0.000 0.203 984 D C 0.774 176.882 176.300 -0.320 0.000 0.967 984 D CA 0.757 54.668 54.000 -0.149 0.000 0.840 984 D CB -0.115 40.680 40.800 -0.008 0.000 0.972 984 D HN 0.711 nan 8.370 nan 0.000 0.482 985 D N 1.662 121.607 120.400 -0.760 0.000 2.350 985 D HA 0.082 4.675 4.640 -0.078 0.000 0.249 985 D C -2.400 173.650 176.300 -0.418 0.000 1.119 985 D CA -1.524 51.820 54.000 -1.094 0.000 0.886 985 D CB 1.096 41.061 40.800 -1.392 0.000 1.195 985 D HN 0.060 nan 8.370 nan 0.000 0.437 986 P HA 0.094 nan 4.420 nan 0.000 0.275 986 P C -0.247 177.082 177.300 0.050 0.000 1.227 986 P CA -0.321 62.776 63.100 -0.004 0.000 0.781 986 P CB 0.705 32.444 31.700 0.065 0.000 0.906 987 N N 0.665 119.398 118.700 0.056 0.000 2.449 987 N HA 0.102 4.795 4.740 -0.078 0.000 0.191 987 N C 0.435 176.012 175.510 0.111 0.000 1.161 987 N CA -0.351 52.710 53.050 0.019 0.000 0.863 987 N CB 0.123 38.616 38.487 0.010 0.000 0.980 987 N HN 0.490 nan 8.380 nan 0.000 0.458 988 A N 0.535 123.419 122.820 0.107 0.000 2.354 988 A HA 0.219 4.492 4.320 -0.078 0.000 0.281 988 A C 0.782 178.236 177.584 -0.217 0.000 1.174 988 A CA -0.325 51.547 52.037 -0.276 0.000 0.828 988 A CB 0.370 19.145 19.000 -0.375 0.000 1.099 988 A HN 0.173 nan 8.150 nan 0.000 0.516 989 L N 1.713 122.722 121.223 -0.356 0.000 2.478 989 L HA 0.140 4.433 4.340 -0.078 0.000 0.223 989 L C 0.437 177.206 176.870 -0.168 0.000 1.140 989 L CA 1.354 56.044 54.840 -0.251 0.000 0.842 989 L CB -0.529 41.297 42.059 -0.388 0.000 0.953 989 L HN 0.901 nan 8.230 nan 0.000 0.452 990 D N -1.684 118.593 120.400 -0.206 0.000 2.951 990 D HA 0.280 4.873 4.640 -0.078 0.000 0.262 990 D C -0.957 175.240 176.300 -0.172 0.000 1.110 990 D CA -0.225 53.686 54.000 -0.149 0.000 0.724 990 D CB 0.993 41.751 40.800 -0.070 0.000 1.516 990 D HN -0.196 nan 8.370 nan 0.000 0.447 991 V N -2.363 117.477 119.914 -0.123 0.000 3.165 991 V HA 0.818 4.891 4.120 -0.078 0.000 0.309 991 V C -1.250 174.809 176.094 -0.057 0.000 1.267 991 V CA -1.040 61.197 62.300 -0.104 0.000 1.067 991 V CB 1.487 33.251 31.823 -0.097 0.000 1.082 991 V HN 0.509 nan 8.190 nan 0.000 0.451 992 L N 1.960 123.161 121.223 -0.036 0.000 2.322 992 L HA 0.865 5.158 4.340 -0.078 0.000 0.279 992 L C 0.086 176.949 176.870 -0.011 0.000 1.036 992 L CA -0.054 54.775 54.840 -0.018 0.000 0.807 992 L CB 1.552 43.607 42.059 -0.007 0.000 1.226 992 L HN 0.914 nan 8.230 nan 0.000 0.433 993 V N -0.799 119.109 119.914 -0.011 0.000 3.126 993 V HA 1.060 5.133 4.120 -0.078 0.000 0.314 993 V C 0.040 176.133 176.094 -0.002 0.000 1.138 993 V CA -0.486 61.811 62.300 -0.006 0.000 1.034 993 V CB 1.355 33.170 31.823 -0.013 0.000 1.075 993 V HN 0.737 nan 8.190 nan 0.000 0.442 994 G N 0.148 108.950 108.800 0.003 0.000 2.642 994 G HA2 0.575 4.488 3.960 -0.078 0.000 0.291 994 G HA3 0.575 4.488 3.960 -0.078 0.000 0.291 994 G C -0.426 174.474 174.900 0.000 0.000 1.345 994 G CA -0.880 44.222 45.100 0.004 0.000 1.043 994 G HN 0.909 nan 8.290 nan 0.000 0.528 995 E N -0.881 119.320 120.200 0.000 0.000 2.438 995 E HA 0.301 4.604 4.350 -0.078 0.000 0.261 995 E C 1.319 177.918 176.600 -0.001 0.000 1.103 995 E CA 0.786 57.185 56.400 -0.002 0.000 0.959 995 E CB 0.346 30.045 29.700 -0.002 0.000 0.958 995 E HN 0.969 nan 8.360 nan 0.000 0.447 996 G N 1.100 109.897 108.800 -0.004 0.000 2.270 996 G HA2 -0.354 3.559 3.960 -0.078 0.000 0.268 996 G HA3 -0.354 3.559 3.960 -0.078 0.000 0.268 996 G C 0.207 175.103 174.900 -0.006 0.000 0.982 996 G CA 1.258 46.356 45.100 -0.004 0.000 0.628 996 G HN 0.615 nan 8.290 nan 0.000 0.544 997 Q N -0.853 118.943 119.800 -0.007 0.000 2.378 997 Q HA 0.778 5.071 4.340 -0.078 0.000 0.276 997 Q C -0.816 175.176 176.000 -0.014 0.000 1.083 997 Q CA -0.344 55.453 55.803 -0.010 0.000 0.856 997 Q CB 2.252 30.986 28.738 -0.007 0.000 1.383 997 Q HN 0.307 nan 8.270 nan 0.000 0.458 998 T N -0.939 113.603 114.554 -0.020 0.000 2.903 998 T HA 0.099 4.402 4.350 -0.078 0.000 0.299 998 T C 0.273 174.953 174.700 -0.032 0.000 1.093 998 T CA -0.432 61.653 62.100 -0.025 0.000 1.002 998 T CB 2.058 70.910 68.868 -0.027 0.000 1.127 998 T HN 0.815 nan 8.240 nan 0.000 0.488 999 Q N 2.393 122.170 119.800 -0.038 0.000 2.170 999 Q HA -0.030 4.263 4.340 -0.078 0.000 0.203 999 Q C 2.036 177.999 176.000 -0.062 0.000 0.976 999 Q CA 1.919 57.691 55.803 -0.051 0.000 0.858 999 Q CB -0.332 28.371 28.738 -0.059 0.000 0.907 999 Q HN 0.816 nan 8.270 nan 0.000 0.433 1000 A N 0.221 123.006 122.820 -0.058 0.000 1.969 1000 A HA -0.037 4.236 4.320 -0.078 0.000 0.218 1000 A C 2.125 179.672 177.584 -0.062 0.000 1.169 1000 A CA 1.474 53.471 52.037 -0.066 0.000 0.635 1000 A CB -0.603 18.362 19.000 -0.058 0.000 0.810 1000 A HN 0.534 nan 8.150 nan 0.000 0.445 1001 A N -0.979 121.812 122.820 -0.049 0.000 1.911 1001 A HA 0.160 4.433 4.320 -0.078 0.000 0.212 1001 A C 2.227 179.790 177.584 -0.034 0.000 1.189 1001 A CA 1.240 53.251 52.037 -0.043 0.000 0.639 1001 A CB -0.951 18.028 19.000 -0.035 0.000 0.839 1001 A HN 0.793 nan 8.150 nan 0.000 0.449 1002 V N -0.546 119.350 119.914 -0.029 0.000 2.490 1002 V HA -0.120 3.953 4.120 -0.078 0.000 0.250 1002 V C 1.772 177.862 176.094 -0.007 0.000 1.061 1002 V CA 1.947 64.236 62.300 -0.019 0.000 1.064 1002 V CB -0.317 31.493 31.823 -0.022 0.000 0.670 1002 V HN 0.374 nan 8.190 nan 0.000 0.461 1003 L N 0.348 121.561 121.223 -0.017 0.000 2.607 1003 L HA 0.344 4.637 4.340 -0.078 0.000 0.228 1003 L C 0.820 177.735 176.870 0.076 0.000 1.123 1003 L CA 0.407 55.256 54.840 0.015 0.000 0.890 1003 L CB -0.423 41.601 42.059 -0.058 0.000 1.103 1003 L HN 0.294 nan 8.230 nan 0.000 0.468 1004 D N 0.210 120.610 120.400 0.001 0.000 2.429 1004 D HA -0.129 4.464 4.640 -0.078 0.000 0.253 1004 D C 1.225 177.500 176.300 -0.041 0.000 1.294 1004 D CA -0.122 53.830 54.000 -0.080 0.000 1.063 1004 D CB 0.207 40.943 40.800 -0.107 0.000 1.096 1004 D HN 0.335 nan 8.370 nan 0.000 0.516 1005 W N 3.683 124.969 121.300 -0.024 0.000 2.595 1005 W HA -0.007 4.607 4.660 -0.076 0.000 0.257 1005 W C 1.054 177.571 176.519 -0.003 0.000 1.267 1005 W CA -0.298 57.042 57.345 -0.007 0.000 1.300 1005 W CB -0.654 28.814 29.460 0.012 0.000 1.120 1005 W HN 0.262 nan 8.180 nan 0.000 0.618 1006 R N 1.087 121.221 120.500 -0.610 0.000 2.148 1006 R HA 0.032 4.325 4.340 -0.078 0.000 0.223 1006 R C 2.180 178.358 176.300 -0.203 0.000 1.088 1006 R CA 1.373 57.172 56.100 -0.501 0.000 0.985 1006 R CB -0.353 29.557 30.300 -0.651 0.000 0.880 1006 R HN 0.123 nan 8.270 nan 0.000 0.451 1007 A N 0.631 123.358 122.820 -0.155 0.000 2.379 1007 A HA 0.383 4.656 4.320 -0.078 0.000 0.236 1007 A C 0.307 177.872 177.584 -0.030 0.000 1.272 1007 A CA 0.402 52.389 52.037 -0.083 0.000 0.886 1007 A CB 0.550 19.500 19.000 -0.085 0.000 0.962 1007 A HN 0.318 nan 8.150 nan 0.000 0.504 1008 G N -1.489 107.314 108.800 0.006 0.000 2.308 1008 G HA2 0.449 4.362 3.960 -0.078 0.000 0.288 1008 G HA3 0.449 4.362 3.960 -0.078 0.000 0.288 1008 G C -1.073 173.884 174.900 0.095 0.000 1.722 1008 G CA 0.255 45.378 45.100 0.038 0.000 0.924 1008 G HN 0.879 nan 8.290 nan 0.000 0.732 1009 S N 1.701 117.456 115.700 0.092 0.000 2.543 1009 S HA 0.834 5.257 4.470 -0.078 0.000 0.271 1009 S C -2.508 172.128 174.600 0.060 0.000 1.148 1009 S CA -0.762 57.504 58.200 0.111 0.000 0.914 1009 S CB 1.847 65.150 63.200 0.172 0.000 1.096 1009 S HN 0.847 nan 8.310 nan 0.000 0.471 1010 P HA 0.342 nan 4.420 nan 0.000 0.274 1010 P C 0.097 177.429 177.300 0.052 0.000 1.231 1010 P CA -0.545 62.584 63.100 0.048 0.000 0.790 1010 P CB 0.430 32.140 31.700 0.018 0.000 0.951 1011 V N 0.162 120.119 119.914 0.072 0.000 2.999 1011 V HA 0.104 4.177 4.120 -0.078 0.000 0.307 1011 V C 0.218 176.323 176.094 0.019 0.000 1.084 1011 V CA -0.577 61.758 62.300 0.058 0.000 1.155 1011 V CB 0.796 32.665 31.823 0.076 0.000 0.975 1011 V HN 0.413 nan 8.190 nan 0.000 0.490 1012 V N 5.332 125.247 119.914 0.003 0.000 2.334 1012 V HA 0.466 4.539 4.120 -0.078 0.000 0.281 1012 V C 0.010 176.092 176.094 -0.019 0.000 1.016 1012 V CA -0.330 61.959 62.300 -0.019 0.000 0.832 1012 V CB 1.453 33.257 31.823 -0.033 0.000 0.999 1012 V HN 0.887 nan 8.190 nan 0.000 0.439 1013 V N 10.894 130.793 119.914 -0.024 0.000 2.488 1013 V HA 0.335 4.408 4.120 -0.078 0.000 0.277 1013 V C -1.804 174.288 176.094 -0.002 0.000 1.046 1013 V CA -1.442 60.849 62.300 -0.015 0.000 0.986 1013 V CB 1.368 33.181 31.823 -0.016 0.000 0.989 1013 V HN 0.812 nan 8.190 nan 0.000 0.475 1014 P HA 0.035 nan 4.420 nan 0.000 0.266 1014 P C -0.629 176.710 177.300 0.065 0.000 1.195 1014 P CA -0.383 62.739 63.100 0.036 0.000 0.768 1014 P CB 0.627 32.344 31.700 0.027 0.000 0.838 1015 M N 4.068 123.739 119.600 0.118 0.000 2.063 1015 M HA 0.299 4.732 4.480 -0.078 0.000 0.348 1015 M C -0.838 175.518 176.300 0.094 0.000 1.180 1015 M CA -0.339 55.044 55.300 0.138 0.000 1.059 1015 M CB -0.410 32.337 32.600 0.246 0.000 1.544 1015 M HN 0.211 nan 8.290 nan 0.000 0.447 1016 L N 2.628 123.890 121.223 0.065 0.000 2.335 1016 L HA 0.979 5.272 4.340 -0.078 0.000 0.268 1016 L C 0.565 177.450 176.870 0.024 0.000 1.016 1016 L CA -1.162 53.700 54.840 0.037 0.000 0.805 1016 L CB 1.663 43.737 42.059 0.026 0.000 1.311 1016 L HN 0.725 nan 8.230 nan 0.000 0.456 1017 G N 0.226 109.030 108.800 0.006 0.000 2.482 1017 G HA2 0.592 4.505 3.960 -0.078 0.000 0.317 1017 G HA3 0.592 4.505 3.960 -0.078 0.000 0.317 1017 G C -1.297 173.590 174.900 -0.022 0.000 1.241 1017 G CA -0.588 44.507 45.100 -0.007 0.000 0.967 1017 G HN 0.160 nan 8.290 nan 0.000 0.482 1018 L N 1.719 122.918 121.223 -0.040 0.000 2.410 1018 L HA 0.237 4.530 4.340 -0.078 0.000 0.273 1018 L C 0.283 177.118 176.870 -0.059 0.000 1.144 1018 L CA -0.212 54.589 54.840 -0.066 0.000 0.863 1018 L CB 1.058 43.052 42.059 -0.108 0.000 1.140 1018 L HN 0.351 nan 8.230 nan 0.000 0.463 1019 Q N 5.914 125.680 119.800 -0.056 0.000 2.274 1019 Q HA 0.397 4.690 4.340 -0.078 0.000 0.256 1019 Q C -1.952 174.014 176.000 -0.057 0.000 0.927 1019 Q CA -1.860 53.916 55.803 -0.046 0.000 0.939 1019 Q CB 0.907 29.625 28.738 -0.034 0.000 1.201 1019 Q HN 0.417 nan 8.270 nan 0.000 0.426 1020 P HA 0.000 nan 4.420 nan 0.000 0.216 1020 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 1020 P CB 0.000 31.681 31.700 -0.032 0.000 0.726