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 2w55_1_F DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK QSQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.495 174.600 -0.176 0.000 1.055 2 S CA 0.000 58.120 58.200 -0.133 0.000 1.107 2 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 3 V N 2.575 122.312 119.914 -0.295 0.000 2.617 3 V HA 0.380 4.500 4.120 0.000 0.000 0.304 3 V C 1.611 177.548 176.094 -0.262 0.000 1.040 3 V CA 1.802 63.879 62.300 -0.371 0.000 1.149 3 V CB 0.271 31.583 31.823 -0.851 0.000 0.914 3 V HN 0.838 nan 8.190 nan 0.000 0.487 4 G N 3.628 112.328 108.800 -0.168 0.000 2.176 4 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 4 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 4 G C 0.211 175.064 174.900 -0.077 0.000 0.979 4 G CA -0.060 44.976 45.100 -0.107 0.000 0.641 4 G HN 0.545 nan 8.290 nan 0.000 0.530 5 K N 0.669 121.021 120.400 -0.080 0.000 2.118 5 K HA 0.485 4.805 4.320 0.000 0.000 0.264 5 K C -2.401 174.177 176.600 -0.037 0.000 1.000 5 K CA -2.140 54.113 56.287 -0.055 0.000 0.929 5 K CB 1.622 34.087 32.500 -0.058 0.000 1.021 5 K HN 0.081 nan 8.250 nan 0.000 0.463 6 P HA 0.228 nan 4.420 nan 0.000 0.209 6 P C -0.400 176.897 177.300 -0.005 0.000 1.843 6 P CA -0.187 62.906 63.100 -0.012 0.000 0.985 6 P CB -0.061 31.633 31.700 -0.010 0.000 1.904 7 L N 1.835 123.054 121.223 -0.006 0.000 2.418 7 L HA 0.447 4.787 4.340 0.000 0.000 0.265 7 L C -1.833 175.050 176.870 0.022 0.000 1.143 7 L CA -2.250 52.590 54.840 -0.000 0.000 0.809 7 L CB 0.004 42.056 42.059 -0.012 0.000 1.124 7 L HN 0.017 nan 8.230 nan 0.000 0.456 8 P HA 0.134 nan 4.420 nan 0.000 0.279 8 P C -1.025 176.331 177.300 0.092 0.000 1.276 8 P CA -0.544 62.593 63.100 0.061 0.000 0.801 8 P CB 0.344 32.072 31.700 0.047 0.000 1.127 9 H N 0.407 119.498 119.070 0.035 0.000 2.929 9 H HA 0.010 4.566 4.556 -0.000 0.000 0.317 9 H C 1.202 176.542 175.328 0.019 0.000 1.031 9 H CA 0.935 57.014 56.048 0.051 0.000 1.466 9 H CB -0.378 29.450 29.762 0.110 0.000 1.482 9 H HN 0.566 nan 8.280 nan 0.000 0.561 10 D N 2.949 123.093 120.400 -0.428 0.000 3.609 10 D HA -0.354 4.286 4.640 0.000 0.000 0.548 10 D C 0.191 176.253 176.300 -0.397 0.000 1.197 10 D CA 3.210 56.948 54.000 -0.437 0.000 1.532 10 D CB -0.841 39.659 40.800 -0.500 0.000 0.415 10 D HN 0.526 nan 8.370 nan 0.000 0.646 11 S N -1.447 113.898 115.700 -0.593 0.000 2.256 11 S HA 0.796 5.266 4.470 0.000 0.000 0.210 11 S C 0.862 175.092 174.600 -0.617 0.000 1.329 11 S CA -0.048 57.851 58.200 -0.503 0.000 1.267 11 S CB 0.885 63.803 63.200 -0.470 0.000 1.086 11 S HN 0.606 nan 8.310 nan 0.000 0.468 12 A N 2.669 125.322 122.820 -0.278 0.000 1.873 12 A HA -0.068 4.252 4.320 0.000 0.000 0.215 12 A C 2.197 179.760 177.584 -0.036 0.000 1.186 12 A CA 1.302 53.302 52.037 -0.061 0.000 0.616 12 A CB -0.488 18.536 19.000 0.041 0.000 0.823 12 A HN 0.593 nan 8.150 nan 0.000 0.442 13 R N -0.346 120.118 120.500 -0.061 0.000 2.096 13 R HA -0.087 4.253 4.340 0.000 0.000 0.235 13 R C 2.261 178.544 176.300 -0.028 0.000 1.127 13 R CA 1.377 57.460 56.100 -0.027 0.000 0.968 13 R CB -0.389 29.891 30.300 -0.032 0.000 0.861 13 R HN 0.441 nan 8.270 nan 0.000 0.440 14 A N 0.504 123.267 122.820 -0.096 0.000 1.845 14 A HA -0.196 4.124 4.320 0.000 0.000 0.215 14 A C 1.806 179.414 177.584 0.039 0.000 1.195 14 A CA 1.724 53.716 52.037 -0.074 0.000 0.616 14 A CB -1.027 17.880 19.000 -0.155 0.000 0.832 14 A HN 0.599 nan 8.150 nan 0.000 0.443 15 H N -1.419 117.687 119.070 0.060 0.000 2.289 15 H HA -0.141 4.415 4.556 0.000 0.000 0.296 15 H C 2.077 177.463 175.328 0.096 0.000 1.091 15 H CA 1.205 57.320 56.048 0.110 0.000 1.274 15 H CB -0.225 29.627 29.762 0.149 0.000 1.364 15 H HN 0.253 nan 8.280 nan 0.000 0.490 16 V N 0.816 120.857 119.914 0.211 0.000 2.568 16 V HA -0.232 3.888 4.120 0.000 0.000 0.253 16 V C 2.341 178.495 176.094 0.099 0.000 1.072 16 V CA 2.287 64.668 62.300 0.135 0.000 1.084 16 V CB -0.428 31.455 31.823 0.101 0.000 0.676 16 V HN 0.741 nan 8.190 nan 0.000 0.469 17 T N -4.473 110.132 114.554 0.085 0.000 3.022 17 T HA 0.359 4.709 4.350 0.000 0.000 0.250 17 T C 1.464 176.205 174.700 0.068 0.000 1.060 17 T CA 0.844 62.981 62.100 0.062 0.000 1.013 17 T CB 0.900 69.791 68.868 0.038 0.000 0.982 17 T HN 0.905 nan 8.240 nan 0.000 0.508 18 G N 1.150 110.008 108.800 0.096 0.000 2.176 18 G HA2 -0.301 3.659 3.960 0.000 0.000 0.253 18 G HA3 -0.301 3.659 3.960 0.000 0.000 0.253 18 G C 0.922 175.868 174.900 0.077 0.000 0.979 18 G CA 0.404 45.566 45.100 0.102 0.000 0.641 18 G HN 0.445 nan 8.290 nan 0.000 0.530 19 Q N 0.080 119.911 119.800 0.052 0.000 2.061 19 Q HA 0.068 4.408 4.340 0.000 0.000 0.204 19 Q C 2.066 178.062 176.000 -0.007 0.000 0.984 19 Q CA 1.309 57.121 55.803 0.015 0.000 0.846 19 Q CB -0.374 28.360 28.738 -0.006 0.000 0.902 19 Q HN 1.186 nan 8.270 nan 0.000 0.421 20 A N 2.447 125.267 122.820 -0.001 0.000 2.566 20 A HA 0.023 4.343 4.320 0.000 0.000 0.245 20 A C -0.150 177.319 177.584 -0.192 0.000 1.056 20 A CA 0.264 52.246 52.037 -0.090 0.000 0.757 20 A CB -0.178 18.845 19.000 0.038 0.000 0.979 20 A HN 0.295 nan 8.150 nan 0.000 0.508 21 R N 2.306 122.642 120.500 -0.273 0.000 2.445 21 R HA 0.662 5.002 4.340 0.000 0.000 0.308 21 R C -1.612 174.475 176.300 -0.356 0.000 0.961 21 R CA -0.592 55.385 56.100 -0.205 0.000 0.862 21 R CB 0.888 31.134 30.300 -0.089 0.000 1.144 21 R HN 0.569 nan 8.270 nan 0.000 0.447 22 Y N 1.302 121.616 120.300 0.023 0.000 2.567 22 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 22 Y C 1.555 177.451 175.900 -0.006 0.000 1.106 22 Y CA -1.159 56.949 58.100 0.013 0.000 1.157 22 Y CB 1.222 39.688 38.460 0.009 0.000 1.277 22 Y HN 0.546 nan 8.280 nan 0.000 0.490 23 L N 0.938 122.249 121.223 0.148 0.000 2.082 23 L HA -0.354 3.986 4.340 0.000 0.000 0.223 23 L C 1.645 178.539 176.870 0.040 0.000 1.086 23 L CA 2.669 57.547 54.840 0.063 0.000 0.793 23 L CB -0.343 41.747 42.059 0.051 0.000 0.896 23 L HN 0.897 nan 8.230 nan 0.000 0.441 24 D N -1.494 118.941 120.400 0.057 0.000 2.219 24 D HA -0.175 4.465 4.640 0.000 0.000 0.205 24 D C 1.609 177.933 176.300 0.039 0.000 0.970 24 D CA 1.169 55.192 54.000 0.039 0.000 0.851 24 D CB 0.020 40.829 40.800 0.016 0.000 0.943 24 D HN 0.512 nan 8.370 nan 0.000 0.488 25 D N 0.013 120.449 120.400 0.060 0.000 2.144 25 D HA -0.049 4.591 4.640 0.000 0.000 0.200 25 D C 0.533 176.840 176.300 0.011 0.000 0.978 25 D CA 0.276 54.305 54.000 0.049 0.000 0.833 25 D CB -0.362 40.486 40.800 0.080 0.000 0.961 25 D HN 0.303 nan 8.370 nan 0.000 0.470 26 L N 3.003 124.219 121.223 -0.013 0.000 2.615 26 L HA 0.043 4.383 4.340 0.000 0.000 0.284 26 L C -1.718 175.127 176.870 -0.042 0.000 1.237 26 L CA -1.012 53.795 54.840 -0.055 0.000 0.905 26 L CB -0.492 41.495 42.059 -0.121 0.000 1.149 26 L HN -0.018 nan 8.230 nan 0.000 0.499 27 P HA 0.256 nan 4.420 nan 0.000 0.274 27 P C -1.041 176.236 177.300 -0.037 0.000 1.246 27 P CA -0.515 62.570 63.100 -0.024 0.000 0.795 27 P CB 1.146 32.834 31.700 -0.021 0.000 1.006 28 C N -1.863 117.426 119.300 -0.017 0.000 3.247 28 C HA 0.439 4.899 4.460 0.000 0.000 0.375 28 C C -2.927 172.057 174.990 -0.010 0.000 1.102 28 C CA -1.987 57.018 59.018 -0.022 0.000 1.227 28 C CB -0.146 27.576 27.740 -0.029 0.000 1.586 28 C HN 0.425 nan 8.230 nan 0.000 0.544 29 P HA 0.044 nan 4.420 nan 0.000 0.267 29 P C 1.097 178.393 177.300 -0.006 0.000 1.158 29 P CA 1.436 64.531 63.100 -0.009 0.000 0.756 29 P CB 0.289 31.982 31.700 -0.011 0.000 0.766 30 A N 3.900 126.721 122.820 0.000 0.000 1.927 30 A HA -0.289 4.031 4.320 0.000 0.000 0.220 30 A C 1.827 179.411 177.584 0.000 0.000 1.185 30 A CA 2.226 54.267 52.037 0.007 0.000 0.639 30 A CB -1.043 17.962 19.000 0.008 0.000 0.820 30 A HN 0.764 nan 8.150 nan 0.000 0.451 31 N N 0.132 118.826 118.700 -0.010 0.000 2.396 31 N HA -0.057 4.683 4.740 0.000 0.000 0.180 31 N C 0.160 175.638 175.510 -0.053 0.000 1.028 31 N CA 1.140 54.178 53.050 -0.020 0.000 0.893 31 N CB -1.756 36.723 38.487 -0.013 0.000 0.967 31 N HN 0.279 nan 8.380 nan 0.000 0.440 32 T N 2.261 116.771 114.554 -0.074 0.000 2.658 32 T HA -0.054 4.296 4.350 0.000 0.000 0.252 32 T C 0.572 175.085 174.700 -0.311 0.000 1.021 32 T CA 0.355 62.364 62.100 -0.152 0.000 1.169 32 T CB 0.077 68.860 68.868 -0.141 0.000 1.015 32 T HN 0.156 nan 8.240 nan 0.000 0.489 33 L N 3.443 124.495 121.223 -0.285 0.000 2.431 33 L HA 0.473 4.813 4.340 0.000 0.000 0.260 33 L C 0.659 177.232 176.870 -0.495 0.000 1.098 33 L CA -1.015 53.642 54.840 -0.305 0.000 0.800 33 L CB 0.659 42.663 42.059 -0.090 0.000 1.210 33 L HN 0.643 nan 8.230 nan 0.000 0.465 34 H N 1.925 121.013 119.070 0.031 0.000 2.589 34 H HA 0.498 5.054 4.556 0.000 0.000 0.351 34 H C -0.878 174.437 175.328 -0.022 0.000 1.074 34 H CA -0.537 55.523 56.048 0.021 0.000 1.203 34 H CB 1.864 31.657 29.762 0.052 0.000 1.558 34 H HN 0.307 nan 8.280 nan 0.000 0.522 35 L N 1.753 123.010 121.223 0.058 0.000 2.331 35 L HA 0.774 5.114 4.340 0.000 0.000 0.275 35 L C 0.175 176.970 176.870 -0.125 0.000 1.022 35 L CA -0.945 53.874 54.840 -0.035 0.000 0.812 35 L CB 1.688 43.695 42.059 -0.087 0.000 1.257 35 L HN 0.593 nan 8.230 nan 0.000 0.435 36 A N 2.159 124.899 122.820 -0.132 0.000 2.520 36 A HA 0.690 5.010 4.320 0.000 0.000 0.298 36 A C -1.118 176.389 177.584 -0.128 0.000 1.051 36 A CA -0.481 51.459 52.037 -0.162 0.000 0.690 36 A CB 0.943 19.857 19.000 -0.143 0.000 1.281 36 A HN 0.525 nan 8.150 nan 0.000 0.402 37 F N 0.993 120.908 119.950 -0.060 0.000 2.410 37 F HA 0.470 4.997 4.527 0.000 0.000 0.334 37 F C 1.431 176.989 175.800 -0.405 0.000 1.134 37 F CA 0.257 58.140 58.000 -0.194 0.000 1.227 37 F CB 1.354 40.264 39.000 -0.149 0.000 1.194 37 F HN 0.657 nan 8.300 nan 0.000 0.571 38 G N 3.313 111.728 108.800 -0.642 0.000 2.335 38 G HA2 0.592 4.552 3.960 0.000 0.000 0.316 38 G HA3 0.592 4.552 3.960 0.000 0.000 0.316 38 G C -1.067 173.479 174.900 -0.591 0.000 1.129 38 G CA -0.604 43.890 45.100 -1.011 0.000 0.899 38 G HN 0.472 nan 8.290 nan 0.000 0.448 39 L N 1.282 122.317 121.223 -0.314 0.000 2.352 39 L HA 0.502 4.842 4.340 0.000 0.000 0.269 39 L C 0.991 177.746 176.870 -0.190 0.000 1.034 39 L CA -0.944 53.729 54.840 -0.277 0.000 0.806 39 L CB 1.868 43.769 42.059 -0.262 0.000 1.244 39 L HN 0.531 nan 8.230 nan 0.000 0.447 40 S N -0.397 115.142 115.700 -0.268 0.000 2.549 40 S HA 0.074 4.544 4.470 0.000 0.000 0.279 40 S C 1.030 175.473 174.600 -0.262 0.000 1.321 40 S CA -0.134 57.937 58.200 -0.215 0.000 1.054 40 S CB 0.699 63.676 63.200 -0.372 0.000 0.899 40 S HN 0.773 nan 8.310 nan 0.000 0.497 41 T N 1.332 115.736 114.554 -0.251 0.000 3.065 41 T HA 0.253 4.603 4.350 0.000 0.000 0.252 41 T C 0.322 174.784 174.700 -0.397 0.000 1.099 41 T CA -0.102 61.840 62.100 -0.262 0.000 1.063 41 T CB 0.001 68.788 68.868 -0.135 0.000 0.948 41 T HN 0.493 nan 8.240 nan 0.000 0.506 42 E N 0.843 120.655 120.200 -0.646 0.000 2.277 42 E HA 0.624 4.974 4.350 0.000 0.000 0.274 42 E C 0.910 177.303 176.600 -0.345 0.000 1.022 42 E CA -0.135 55.934 56.400 -0.552 0.000 0.853 42 E CB 1.638 30.868 29.700 -0.783 0.000 1.086 42 E HN 0.272 nan 8.360 nan 0.000 0.397 43 A N 1.943 124.631 122.820 -0.220 0.000 1.975 43 A HA 0.004 4.324 4.320 0.000 0.000 0.215 43 A C 0.907 178.428 177.584 -0.104 0.000 1.170 43 A CA 0.897 52.864 52.037 -0.118 0.000 0.656 43 A CB 0.366 19.328 19.000 -0.063 0.000 0.821 43 A HN 0.339 nan 8.150 nan 0.000 0.449 44 S N -1.812 113.805 115.700 -0.139 0.000 2.550 44 S HA 0.585 5.055 4.470 0.000 0.000 0.274 44 S C -0.860 173.664 174.600 -0.127 0.000 1.110 44 S CA 0.255 58.381 58.200 -0.124 0.000 1.013 44 S CB 0.390 63.561 63.200 -0.048 0.000 1.152 44 S HN 1.638 nan 8.310 nan 0.000 0.450 45 A N 2.896 125.629 122.820 -0.144 0.000 2.564 45 A HA 0.946 5.266 4.320 0.000 0.000 0.291 45 A C -1.054 176.507 177.584 -0.037 0.000 1.102 45 A CA -0.238 51.760 52.037 -0.064 0.000 0.660 45 A CB 0.725 19.702 19.000 -0.038 0.000 1.283 45 A HN 1.795 nan 8.150 nan 0.000 0.430 46 A N 0.453 123.286 122.820 0.021 0.000 2.303 46 A HA 0.673 4.993 4.320 0.000 0.000 0.320 46 A C -0.433 177.183 177.584 0.053 0.000 1.192 46 A CA -0.431 51.618 52.037 0.021 0.000 0.821 46 A CB -0.008 18.999 19.000 0.011 0.000 1.188 46 A HN 0.790 nan 8.150 nan 0.000 0.492 47 I N 3.328 123.918 120.570 0.033 0.000 2.460 47 I HA 0.034 4.204 4.170 0.000 0.000 0.297 47 I C 1.262 177.350 176.117 -0.048 0.000 1.139 47 I CA 0.237 61.517 61.300 -0.033 0.000 1.340 47 I CB 0.344 38.314 38.000 -0.051 0.000 1.444 47 I HN 0.778 nan 8.210 nan 0.000 0.557 48 T N 1.119 115.638 114.554 -0.058 0.000 3.144 48 T HA 0.375 4.725 4.350 0.000 0.000 0.249 48 T C 0.638 175.299 174.700 -0.066 0.000 1.089 48 T CA -0.200 61.873 62.100 -0.044 0.000 0.989 48 T CB 0.160 69.014 68.868 -0.023 0.000 0.992 48 T HN 0.714 nan 8.240 nan 0.000 0.540 49 G N 0.649 109.385 108.800 -0.107 0.000 2.633 49 G HA2 0.498 4.459 3.960 0.000 0.000 0.299 49 G HA3 0.498 4.459 3.960 0.000 0.000 0.299 49 G C -2.379 172.431 174.900 -0.151 0.000 1.501 49 G CA -0.862 44.172 45.100 -0.110 0.000 0.887 49 G HN 0.289 nan 8.290 nan 0.000 0.561 50 L N 1.806 122.956 121.223 -0.122 0.000 2.568 50 L HA 0.604 4.944 4.340 0.000 0.000 0.262 50 L C -1.586 175.205 176.870 -0.132 0.000 0.980 50 L CA -0.686 54.075 54.840 -0.132 0.000 0.882 50 L CB 1.957 43.956 42.059 -0.100 0.000 1.198 50 L HN 0.513 nan 8.230 nan 0.000 0.425 51 D N 4.352 124.667 120.400 -0.142 0.000 2.443 51 D HA 0.339 4.979 4.640 0.000 0.000 0.221 51 D C 0.271 176.455 176.300 -0.194 0.000 1.097 51 D CA -0.076 53.840 54.000 -0.140 0.000 0.865 51 D CB 0.881 41.618 40.800 -0.105 0.000 1.034 51 D HN 0.595 nan 8.370 nan 0.000 0.511 52 L N 3.022 124.104 121.223 -0.235 0.000 2.728 52 L HA 0.242 4.582 4.340 0.000 0.000 0.235 52 L C 1.562 178.300 176.870 -0.221 0.000 1.197 52 L CA -0.143 54.498 54.840 -0.332 0.000 0.992 52 L CB 0.192 41.997 42.059 -0.423 0.000 1.263 52 L HN 0.302 nan 8.230 nan 0.000 0.484 53 E N 1.572 121.680 120.200 -0.153 0.000 2.046 53 E HA -0.086 4.264 4.350 0.000 0.000 0.190 53 E C -0.689 175.857 176.600 -0.090 0.000 0.982 53 E CA 1.144 57.479 56.400 -0.109 0.000 0.800 53 E CB -0.565 29.085 29.700 -0.084 0.000 0.756 53 E HN 0.226 nan 8.360 nan 0.000 0.449 54 P HA -0.081 nan 4.420 nan 0.000 0.226 54 P C 0.921 178.188 177.300 -0.056 0.000 1.153 54 P CA 0.665 63.731 63.100 -0.057 0.000 0.777 54 P CB 0.206 31.879 31.700 -0.045 0.000 0.794 55 V N 0.046 119.904 119.914 -0.093 0.000 2.283 55 V HA -0.162 3.958 4.120 0.000 0.000 0.243 55 V C 2.358 178.416 176.094 -0.059 0.000 1.039 55 V CA 1.568 63.820 62.300 -0.080 0.000 1.016 55 V CB -0.930 30.779 31.823 -0.190 0.000 0.650 55 V HN 0.051 nan 8.190 nan 0.000 0.449 56 R N -0.206 120.241 120.500 -0.087 0.000 2.193 56 R HA -0.169 4.171 4.340 0.000 0.000 0.229 56 R C 2.235 178.507 176.300 -0.046 0.000 1.110 56 R CA 1.308 57.365 56.100 -0.070 0.000 0.988 56 R CB -0.163 30.083 30.300 -0.089 0.000 0.871 56 R HN 0.622 nan 8.270 nan 0.000 0.458 57 E N 0.600 120.776 120.200 -0.041 0.000 2.086 57 E HA -0.038 4.312 4.350 0.000 0.000 0.190 57 E C 0.272 176.864 176.600 -0.014 0.000 0.975 57 E CA 0.026 56.409 56.400 -0.028 0.000 0.813 57 E CB 0.196 29.878 29.700 -0.029 0.000 0.768 57 E HN 0.021 nan 8.360 nan 0.000 0.457 58 S N 2.342 118.037 115.700 -0.009 0.000 2.702 58 S HA -0.031 4.439 4.470 0.000 0.000 0.314 58 S C -2.344 172.261 174.600 0.008 0.000 1.244 58 S CA -1.218 56.985 58.200 0.005 0.000 1.058 58 S CB 0.333 63.542 63.200 0.016 0.000 0.783 58 S HN -0.020 nan 8.310 nan 0.000 0.503 59 P HA 0.169 nan 4.420 nan 0.000 0.264 59 P C 1.112 178.425 177.300 0.021 0.000 1.183 59 P CA 1.133 64.241 63.100 0.014 0.000 0.763 59 P CB 0.133 31.842 31.700 0.015 0.000 0.807 60 G N 1.479 110.292 108.800 0.022 0.000 2.308 60 G HA2 -0.235 3.725 3.960 0.000 0.000 0.221 60 G HA3 -0.235 3.725 3.960 0.000 0.000 0.221 60 G C -0.017 174.900 174.900 0.028 0.000 1.032 60 G CA -0.087 45.032 45.100 0.031 0.000 0.623 60 G HN 0.542 nan 8.290 nan 0.000 0.506 61 V N 3.318 123.244 119.914 0.020 0.000 2.434 61 V HA 0.176 4.296 4.120 0.000 0.000 0.281 61 V C 1.681 177.775 176.094 -0.000 0.000 1.005 61 V CA 0.501 62.810 62.300 0.015 0.000 1.089 61 V CB 0.901 32.727 31.823 0.005 0.000 0.978 61 V HN 0.333 nan 8.190 nan 0.000 0.474 62 I N 3.551 124.125 120.570 0.007 0.000 3.265 62 I HA 0.359 4.529 4.170 0.000 0.000 0.282 62 I C 0.981 177.078 176.117 -0.034 0.000 1.207 62 I CA 0.769 62.068 61.300 -0.003 0.000 1.449 62 I CB -0.136 37.875 38.000 0.018 0.000 1.121 62 I HN 0.702 nan 8.210 nan 0.000 0.442 63 A N 0.289 123.082 122.820 -0.045 0.000 2.589 63 A HA 0.693 5.013 4.320 0.000 0.000 0.296 63 A C -1.289 176.177 177.584 -0.197 0.000 1.062 63 A CA -0.370 51.555 52.037 -0.186 0.000 0.686 63 A CB 1.662 20.561 19.000 -0.168 0.000 1.282 63 A HN -0.183 nan 8.150 nan 0.000 0.404 64 V N 1.323 121.010 119.914 -0.377 0.000 2.735 64 V HA 0.699 4.819 4.120 0.000 0.000 0.310 64 V C -1.250 174.596 176.094 -0.414 0.000 1.061 64 V CA -0.380 61.796 62.300 -0.207 0.000 0.913 64 V CB 1.634 33.370 31.823 -0.145 0.000 1.005 64 V HN 0.741 nan 8.190 nan 0.000 0.428 65 F N 1.327 121.362 119.950 0.142 0.000 2.507 65 F HA 0.667 5.194 4.527 0.000 0.000 0.325 65 F C 0.623 176.528 175.800 0.175 0.000 1.116 65 F CA -0.435 57.646 58.000 0.135 0.000 0.930 65 F CB 2.418 41.501 39.000 0.138 0.000 1.146 65 F HN 0.452 nan 8.300 nan 0.000 0.447 66 T N 0.450 115.179 114.554 0.291 0.000 2.948 66 T HA 0.493 4.843 4.350 0.000 0.000 0.285 66 T C 1.070 175.896 174.700 0.210 0.000 1.019 66 T CA -0.325 61.905 62.100 0.217 0.000 1.013 66 T CB 1.788 70.725 68.868 0.115 0.000 1.117 66 T HN 0.653 nan 8.240 nan 0.000 0.533 67 A N 0.634 123.550 122.820 0.161 0.000 1.972 67 A HA 0.159 4.479 4.320 0.000 0.000 0.219 67 A C 2.399 180.047 177.584 0.107 0.000 1.169 67 A CA 1.533 53.648 52.037 0.130 0.000 0.635 67 A CB -1.247 17.820 19.000 0.111 0.000 0.810 67 A HN 0.967 nan 8.150 nan 0.000 0.446 68 A N -0.455 122.422 122.820 0.094 0.000 2.125 68 A HA -0.118 4.202 4.320 0.000 0.000 0.219 68 A C 1.326 178.958 177.584 0.081 0.000 1.156 68 A CA 1.591 53.670 52.037 0.070 0.000 0.671 68 A CB -0.289 18.741 19.000 0.050 0.000 0.794 68 A HN 0.457 nan 8.150 nan 0.000 0.459 69 D N -0.622 119.855 120.400 0.127 0.000 2.369 69 D HA 0.177 4.817 4.640 0.000 0.000 0.211 69 D C 0.015 176.415 176.300 0.167 0.000 1.077 69 D CA 0.077 54.178 54.000 0.168 0.000 0.842 69 D CB 0.168 41.129 40.800 0.268 0.000 0.947 69 D HN 0.359 nan 8.370 nan 0.000 0.509 70 L N 3.019 124.314 121.223 0.121 0.000 2.278 70 L HA 0.157 4.497 4.340 0.000 0.000 0.287 70 L C -0.752 176.149 176.870 0.052 0.000 1.072 70 L CA -1.277 53.615 54.840 0.087 0.000 0.819 70 L CB 0.954 43.062 42.059 0.082 0.000 1.176 70 L HN -0.223 nan 8.230 nan 0.000 0.435 71 P HA -0.156 nan 4.420 nan 0.000 0.215 71 P C 0.374 177.534 177.300 -0.234 0.000 1.157 71 P CA 1.692 64.762 63.100 -0.050 0.000 0.874 71 P CB 0.381 32.136 31.700 0.091 0.000 0.790 72 H N -1.836 117.256 119.070 0.037 0.000 5.104 72 H HA 0.257 4.813 4.556 0.000 0.000 0.167 72 H C 0.094 175.446 175.328 0.040 0.000 1.341 72 H CA -0.495 55.577 56.048 0.040 0.000 0.513 72 H CB -0.760 29.029 29.762 0.045 0.000 1.576 72 H HN -0.172 nan 8.280 nan 0.000 0.320 73 D N 1.532 122.058 120.400 0.210 0.000 2.401 73 D HA 0.017 4.657 4.640 0.000 0.000 0.254 73 D C -0.368 175.978 176.300 0.076 0.000 1.192 73 D CA 0.208 54.273 54.000 0.107 0.000 0.885 73 D CB 0.306 41.151 40.800 0.075 0.000 1.147 73 D HN 0.258 nan 8.370 nan 0.000 0.478 74 N N 2.923 121.661 118.700 0.063 0.000 2.801 74 N HA 0.115 4.855 4.740 0.000 0.000 0.235 74 N C -1.605 173.933 175.510 0.048 0.000 1.069 74 N CA -0.287 52.798 53.050 0.059 0.000 0.946 74 N CB 0.137 38.670 38.487 0.077 0.000 1.212 74 N HN 0.198 nan 8.380 nan 0.000 0.509 75 D N 1.507 121.919 120.400 0.019 0.000 2.614 75 D HA 0.278 4.918 4.640 0.000 0.000 0.203 75 D C -0.908 175.371 176.300 -0.034 0.000 1.312 75 D CA -0.319 53.683 54.000 0.004 0.000 0.889 75 D CB 1.381 42.181 40.800 -0.000 0.000 1.615 75 D HN 0.353 nan 8.370 nan 0.000 0.567 76 A N 2.352 125.130 122.820 -0.070 0.000 2.508 76 A HA 0.223 4.543 4.320 0.000 0.000 0.257 76 A C 0.720 178.299 177.584 -0.007 0.000 1.226 76 A CA -0.156 51.810 52.037 -0.119 0.000 0.947 76 A CB 0.447 19.144 19.000 -0.505 0.000 1.079 76 A HN 0.271 nan 8.150 nan 0.000 0.531 77 S N 1.762 117.462 115.700 -0.000 0.000 2.510 77 S HA 0.282 4.752 4.470 0.000 0.000 0.279 77 S C -0.871 173.714 174.600 -0.025 0.000 1.284 77 S CA -1.099 57.092 58.200 -0.016 0.000 1.059 77 S CB 0.802 63.969 63.200 -0.055 0.000 0.901 77 S HN 0.337 nan 8.310 nan 0.000 0.491 78 P HA 0.045 nan 4.420 nan 0.000 0.219 78 P C 0.453 177.730 177.300 -0.039 0.000 1.150 78 P CA 0.532 63.613 63.100 -0.032 0.000 0.814 78 P CB -0.127 31.580 31.700 0.012 0.000 0.787 79 A N 1.426 124.217 122.820 -0.049 0.000 2.366 79 A HA 0.246 4.566 4.320 0.000 0.000 0.250 79 A C -0.775 176.782 177.584 -0.045 0.000 1.099 79 A CA -0.791 51.214 52.037 -0.054 0.000 0.794 79 A CB -0.799 18.142 19.000 -0.098 0.000 1.056 79 A HN 0.057 nan 8.150 nan 0.000 0.499 80 P HA -0.068 nan 4.420 nan 0.000 0.214 80 P C 0.857 178.140 177.300 -0.028 0.000 1.162 80 P CA 1.046 64.132 63.100 -0.025 0.000 0.879 80 P CB -0.224 31.466 31.700 -0.018 0.000 0.786 81 S N 1.733 117.413 115.700 -0.032 0.000 2.537 81 S HA 0.164 4.634 4.470 0.000 0.000 0.286 81 S C -2.060 172.514 174.600 -0.042 0.000 1.299 81 S CA -1.218 56.966 58.200 -0.026 0.000 1.067 81 S CB -0.505 62.687 63.200 -0.013 0.000 0.864 81 S HN -0.029 nan 8.310 nan 0.000 0.494 82 P HA 0.025 nan 4.420 nan 0.000 0.266 82 P C -0.769 176.507 177.300 -0.041 0.000 1.186 82 P CA 0.301 63.392 63.100 -0.014 0.000 0.767 82 P CB 0.284 31.994 31.700 0.018 0.000 0.820 83 E N 3.010 123.202 120.200 -0.013 0.000 2.409 83 E HA 0.339 4.689 4.350 0.000 0.000 0.259 83 E C -2.764 173.940 176.600 0.173 0.000 0.932 83 E CA -2.478 53.925 56.400 0.006 0.000 0.809 83 E CB 1.423 31.057 29.700 -0.109 0.000 1.341 83 E HN 0.184 nan 8.360 nan 0.000 0.405 84 P HA 0.001 nan 4.420 nan 0.000 0.271 84 P C 0.860 178.310 177.300 0.251 0.000 1.216 84 P CA -0.302 62.935 63.100 0.229 0.000 0.771 84 P CB 1.299 33.144 31.700 0.242 0.000 0.864 85 V N 3.457 123.430 119.914 0.098 0.000 2.261 85 V HA -0.157 3.963 4.120 0.000 0.000 0.246 85 V C 1.204 177.353 176.094 0.092 0.000 1.047 85 V CA 1.568 63.901 62.300 0.055 0.000 1.015 85 V CB -0.864 30.968 31.823 0.014 0.000 0.642 85 V HN 0.414 nan 8.190 nan 0.000 0.446 86 L N 0.292 121.573 121.223 0.096 0.000 2.329 86 L HA 0.683 5.023 4.340 0.000 0.000 0.279 86 L C 0.274 177.193 176.870 0.081 0.000 1.014 86 L CA -0.753 54.127 54.840 0.066 0.000 0.814 86 L CB 1.438 43.581 42.059 0.140 0.000 1.257 86 L HN 0.205 nan 8.230 nan 0.000 0.424 87 A N 1.521 124.362 122.820 0.035 0.000 2.565 87 A HA 0.280 4.600 4.320 0.000 0.000 0.237 87 A C 0.581 178.216 177.584 0.086 0.000 1.053 87 A CA 0.177 52.247 52.037 0.055 0.000 0.755 87 A CB -0.198 18.794 19.000 -0.013 0.000 0.980 87 A HN 0.741 nan 8.150 nan 0.000 0.506 88 T N 0.350 114.971 114.554 0.111 0.000 3.336 88 T HA 0.539 4.889 4.350 0.000 0.000 0.384 88 T C 1.062 175.814 174.700 0.086 0.000 1.704 88 T CA 0.356 62.517 62.100 0.102 0.000 1.334 88 T CB 0.119 69.058 68.868 0.118 0.000 1.131 88 T HN 2.379 nan 8.240 nan 0.000 0.684 89 G N 2.398 111.233 108.800 0.058 0.000 2.320 89 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 89 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 89 G C -0.191 174.723 174.900 0.024 0.000 1.033 89 G CA 0.264 45.387 45.100 0.039 0.000 0.620 89 G HN 0.982 nan 8.290 nan 0.000 0.517 90 E N -0.441 119.770 120.200 0.019 0.000 2.383 90 E HA 0.678 5.028 4.350 0.000 0.000 0.275 90 E C -0.255 176.245 176.600 -0.167 0.000 0.918 90 E CA -0.790 55.571 56.400 -0.065 0.000 0.764 90 E CB 2.666 32.312 29.700 -0.091 0.000 1.252 90 E HN 1.007 nan 8.360 nan 0.000 0.449 91 V N -0.971 118.784 119.914 -0.265 0.000 2.975 91 V HA 0.475 4.595 4.120 0.000 0.000 0.318 91 V C -0.105 175.636 176.094 -0.588 0.000 1.077 91 V CA -0.391 61.707 62.300 -0.338 0.000 1.000 91 V CB 1.498 33.181 31.823 -0.233 0.000 1.066 91 V HN 0.906 nan 8.190 nan 0.000 0.452 92 H N 1.669 120.600 119.070 -0.233 0.000 3.622 92 H HA 0.374 4.930 4.556 0.000 0.000 0.259 92 H C -0.206 175.119 175.328 -0.004 0.000 1.145 92 H CA 0.818 56.821 56.048 -0.075 0.000 1.178 92 H CB 1.401 31.224 29.762 0.103 0.000 1.542 92 H HN 0.779 nan 8.280 nan 0.000 0.586 93 F N -1.347 118.415 119.950 -0.313 0.000 2.713 93 F HA 0.493 5.020 4.527 0.000 0.000 0.311 93 F C -1.359 174.305 175.800 -0.227 0.000 1.141 93 F CA -1.467 56.394 58.000 -0.231 0.000 0.939 93 F CB 0.866 39.736 39.000 -0.216 0.000 1.325 93 F HN -0.346 nan 8.300 nan 0.000 0.453 94 V N 2.598 122.424 119.914 -0.146 0.000 2.403 94 V HA 0.483 4.603 4.120 0.000 0.000 0.265 94 V C 0.846 176.734 176.094 -0.342 0.000 1.034 94 V CA 0.797 62.949 62.300 -0.246 0.000 1.036 94 V CB -0.351 31.430 31.823 -0.071 0.000 1.032 94 V HN 1.553 nan 8.190 nan 0.000 0.478 95 G N 3.351 111.775 108.800 -0.627 0.000 2.151 95 G HA2 -0.161 3.799 3.960 0.000 0.000 0.140 95 G HA3 -0.161 3.799 3.960 0.000 0.000 0.140 95 G C 0.026 174.340 174.900 -0.976 0.000 1.020 95 G CA -0.123 44.629 45.100 -0.579 0.000 0.688 95 G HN 0.644 nan 8.290 nan 0.000 0.500 96 Q N 0.886 119.826 119.800 -1.433 0.000 2.304 96 Q HA 0.389 4.729 4.340 0.000 0.000 0.260 96 Q C -2.381 173.250 176.000 -0.614 0.000 0.965 96 Q CA -1.751 53.375 55.803 -1.128 0.000 0.898 96 Q CB 1.104 29.178 28.738 -1.107 0.000 1.196 96 Q HN 0.130 nan 8.270 nan 0.000 0.402 97 P HA -0.010 nan 4.420 nan 0.000 0.266 97 P C -0.319 176.765 177.300 -0.359 0.000 1.215 97 P CA 0.638 63.354 63.100 -0.639 0.000 0.763 97 P CB 0.524 31.410 31.700 -1.357 0.000 0.806 98 I N 3.336 123.754 120.570 -0.253 0.000 2.729 98 I HA 0.086 4.256 4.170 0.000 0.000 0.256 98 I C 0.872 177.068 176.117 0.131 0.000 1.115 98 I CA 0.732 62.010 61.300 -0.036 0.000 1.446 98 I CB 0.016 38.055 38.000 0.065 0.000 1.176 98 I HN 0.271 nan 8.210 nan 0.000 0.446 99 F N -0.247 119.756 119.950 0.090 0.000 2.764 99 F HA 0.790 5.317 4.527 0.000 0.000 0.347 99 F C -1.169 174.823 175.800 0.319 0.000 1.151 99 F CA -1.493 56.611 58.000 0.174 0.000 1.021 99 F CB 1.141 40.209 39.000 0.112 0.000 1.438 99 F HN -0.291 nan 8.300 nan 0.000 0.516 100 L N 1.597 123.177 121.223 0.596 0.000 2.431 100 L HA 0.793 5.133 4.340 0.000 0.000 0.266 100 L C -1.676 175.481 176.870 0.479 0.000 0.978 100 L CA -0.730 54.388 54.840 0.463 0.000 0.822 100 L CB 2.229 44.541 42.059 0.421 0.000 1.310 100 L HN 0.609 nan 8.230 nan 0.000 0.409 101 V N 3.840 123.940 119.914 0.311 0.000 2.409 101 V HA 0.846 4.966 4.120 0.000 0.000 0.291 101 V C 0.139 176.333 176.094 0.166 0.000 1.020 101 V CA -0.486 61.961 62.300 0.245 0.000 0.848 101 V CB 1.249 33.203 31.823 0.218 0.000 0.990 101 V HN 0.937 nan 8.190 nan 0.000 0.430 102 A N 3.961 126.888 122.820 0.177 0.000 2.249 102 A HA 0.933 5.253 4.320 0.000 0.000 0.314 102 A C 0.153 177.787 177.584 0.084 0.000 1.290 102 A CA 0.043 52.162 52.037 0.137 0.000 0.893 102 A CB 0.774 19.900 19.000 0.209 0.000 1.165 102 A HN 1.361 nan 8.150 nan 0.000 0.530 103 A N 1.459 124.323 122.820 0.074 0.000 2.437 103 A HA 0.753 5.074 4.320 0.000 0.000 0.288 103 A C 1.057 178.690 177.584 0.082 0.000 1.201 103 A CA 0.259 52.338 52.037 0.070 0.000 0.795 103 A CB 0.294 19.337 19.000 0.071 0.000 1.359 103 A HN 1.360 nan 8.150 nan 0.000 0.435 104 T N -1.671 112.934 114.554 0.085 0.000 3.118 104 T HA 0.283 4.633 4.350 0.000 0.000 0.260 104 T C 0.668 175.491 174.700 0.205 0.000 1.139 104 T CA 1.039 63.199 62.100 0.100 0.000 1.085 104 T CB -0.794 68.114 68.868 0.067 0.000 0.934 104 T HN 1.634 nan 8.240 nan 0.000 0.518 105 S N -1.193 114.650 115.700 0.238 0.000 2.656 105 S HA 0.379 4.849 4.470 0.000 0.000 0.273 105 S C 0.396 175.094 174.600 0.164 0.000 1.168 105 S CA -0.860 57.487 58.200 0.245 0.000 0.817 105 S CB 1.172 64.437 63.200 0.107 0.000 1.146 105 S HN 0.142 nan 8.310 nan 0.000 0.475 106 H N 0.741 119.729 119.070 -0.138 0.000 2.395 106 H HA 0.115 4.672 4.556 0.000 0.000 0.299 106 H C 1.842 177.160 175.328 -0.017 0.000 1.070 106 H CA 1.263 57.252 56.048 -0.099 0.000 1.356 106 H CB 0.032 29.672 29.762 -0.204 0.000 1.401 106 H HN 0.458 nan 8.280 nan 0.000 0.524 107 R N 0.522 121.088 120.500 0.111 0.000 2.080 107 R HA -0.089 4.251 4.340 0.000 0.000 0.236 107 R C 2.437 178.759 176.300 0.036 0.000 1.137 107 R CA 1.180 57.327 56.100 0.078 0.000 0.943 107 R CB -0.906 29.431 30.300 0.063 0.000 0.846 107 R HN 0.352 nan 8.270 nan 0.000 0.431 108 A N 0.918 123.763 122.820 0.041 0.000 1.972 108 A HA -0.077 4.243 4.320 0.000 0.000 0.219 108 A C 2.359 179.959 177.584 0.027 0.000 1.169 108 A CA 1.797 53.857 52.037 0.038 0.000 0.635 108 A CB -0.458 18.573 19.000 0.051 0.000 0.810 108 A HN 0.400 nan 8.150 nan 0.000 0.446 109 A N -0.463 122.358 122.820 0.002 0.000 1.855 109 A HA -0.106 4.214 4.320 0.000 0.000 0.215 109 A C 2.284 179.847 177.584 -0.034 0.000 1.191 109 A CA 1.304 53.331 52.037 -0.017 0.000 0.613 109 A CB -0.465 18.493 19.000 -0.069 0.000 0.829 109 A HN 0.398 nan 8.150 nan 0.000 0.442 110 R N -0.385 120.059 120.500 -0.093 0.000 2.082 110 R HA -0.110 4.230 4.340 0.000 0.000 0.234 110 R C 2.106 178.409 176.300 0.006 0.000 1.136 110 R CA 1.656 57.723 56.100 -0.055 0.000 0.935 110 R CB -0.967 29.309 30.300 -0.041 0.000 0.842 110 R HN 0.629 nan 8.270 nan 0.000 0.430 111 I N 0.698 121.279 120.570 0.018 0.000 2.113 111 I HA -0.359 3.811 4.170 0.000 0.000 0.242 111 I C 2.503 178.648 176.117 0.048 0.000 1.057 111 I CA 1.816 63.136 61.300 0.032 0.000 1.314 111 I CB -0.435 37.584 38.000 0.031 0.000 1.022 111 I HN 0.202 nan 8.210 nan 0.000 0.408 112 A N 0.262 123.117 122.820 0.057 0.000 1.969 112 A HA -0.083 4.237 4.320 0.000 0.000 0.218 112 A C 2.507 180.186 177.584 0.160 0.000 1.169 112 A CA 1.554 53.641 52.037 0.083 0.000 0.635 112 A CB -0.698 18.348 19.000 0.077 0.000 0.810 112 A HN 0.470 nan 8.150 nan 0.000 0.445 113 A N 0.567 123.495 122.820 0.180 0.000 1.908 113 A HA -0.208 4.112 4.320 0.000 0.000 0.218 113 A C 2.209 179.961 177.584 0.281 0.000 1.181 113 A CA 1.551 53.755 52.037 0.277 0.000 0.627 113 A CB -0.515 18.518 19.000 0.055 0.000 0.818 113 A HN 0.594 nan 8.150 nan 0.000 0.445 114 R N 0.017 120.599 120.500 0.137 0.000 2.120 114 R HA -0.090 4.250 4.340 0.000 0.000 0.234 114 R C 1.371 177.732 176.300 0.102 0.000 1.123 114 R CA 1.356 57.516 56.100 0.101 0.000 0.975 114 R CB -0.356 29.976 30.300 0.054 0.000 0.866 114 R HN 0.459 nan 8.270 nan 0.000 0.446 115 K N 1.057 121.512 120.400 0.092 0.000 2.611 115 K HA 0.104 4.424 4.320 0.000 0.000 0.193 115 K C 0.409 177.019 176.600 0.017 0.000 1.026 115 K CA 0.014 56.327 56.287 0.044 0.000 1.063 115 K CB 0.207 32.721 32.500 0.023 0.000 0.839 115 K HN 0.125 nan 8.250 nan 0.000 0.505 116 A N 1.677 124.533 122.820 0.061 0.000 2.351 116 A HA 0.242 4.562 4.320 0.000 0.000 0.257 116 A C -0.207 177.371 177.584 -0.009 0.000 1.087 116 A CA -0.235 51.795 52.037 -0.013 0.000 0.798 116 A CB 0.356 19.427 19.000 0.118 0.000 1.033 116 A HN 0.259 nan 8.150 nan 0.000 0.488 117 R N 1.379 121.839 120.500 -0.065 0.000 2.358 117 R HA 0.465 4.805 4.340 0.000 0.000 0.309 117 R C -1.434 174.799 176.300 -0.111 0.000 1.026 117 R CA -0.070 55.993 56.100 -0.063 0.000 0.909 117 R CB 0.832 31.096 30.300 -0.061 0.000 1.153 117 R HN 0.713 nan 8.270 nan 0.000 0.515 118 I N 2.328 122.811 120.570 -0.145 0.000 2.378 118 I HA 0.271 4.441 4.170 0.000 0.000 0.291 118 I C 0.321 176.172 176.117 -0.444 0.000 0.992 118 I CA -0.778 60.325 61.300 -0.329 0.000 1.154 118 I CB 2.134 39.866 38.000 -0.447 0.000 1.315 118 I HN 0.428 nan 8.210 nan 0.000 0.448 119 T N 2.413 116.739 114.554 -0.381 0.000 2.743 119 T HA 0.565 4.915 4.350 0.000 0.000 0.292 119 T C -0.661 173.844 174.700 -0.325 0.000 0.972 119 T CA -0.605 61.334 62.100 -0.267 0.000 0.967 119 T CB 0.257 69.054 68.868 -0.118 0.000 0.926 119 T HN 0.244 nan 8.240 nan 0.000 0.459 120 Y N 1.275 121.559 120.300 -0.027 0.000 2.419 120 Y HA 0.596 5.146 4.550 0.000 0.000 0.328 120 Y C 0.555 176.437 175.900 -0.030 0.000 1.162 120 Y CA -1.487 56.592 58.100 -0.036 0.000 1.174 120 Y CB 1.337 39.767 38.460 -0.049 0.000 1.228 120 Y HN 0.879 nan 8.280 nan 0.000 0.473 121 A N 4.085 126.980 122.820 0.125 0.000 2.412 121 A HA 0.574 4.894 4.320 0.000 0.000 0.334 121 A C -2.788 174.827 177.584 0.053 0.000 1.419 121 A CA -1.855 50.222 52.037 0.067 0.000 0.930 121 A CB -0.298 18.722 19.000 0.034 0.000 1.149 121 A HN 0.427 nan 8.150 nan 0.000 0.515 122 P HA 0.388 nan 4.420 nan 0.000 0.271 122 P C -0.256 177.040 177.300 -0.007 0.000 1.218 122 P CA 0.013 63.112 63.100 -0.001 0.000 0.780 122 P CB 0.694 32.388 31.700 -0.010 0.000 0.901 123 R N 2.100 122.586 120.500 -0.022 0.000 2.912 123 R HA 0.563 4.903 4.340 0.000 0.000 0.262 123 R C -2.385 173.905 176.300 -0.016 0.000 1.057 123 R CA -2.126 53.965 56.100 -0.014 0.000 0.981 123 R CB 0.179 30.471 30.300 -0.013 0.000 1.201 123 R HN 0.338 nan 8.270 nan 0.000 0.484 124 P HA 0.061 nan 4.420 nan 0.000 0.267 124 P C -1.184 176.111 177.300 -0.007 0.000 1.205 124 P CA -0.011 63.086 63.100 -0.006 0.000 0.765 124 P CB 0.786 32.485 31.700 -0.002 0.000 0.828 125 A N 4.105 126.920 122.820 -0.009 0.000 2.292 125 A HA 0.514 4.834 4.320 0.000 0.000 0.319 125 A C -0.041 177.537 177.584 -0.011 0.000 1.206 125 A CA -0.733 51.299 52.037 -0.009 0.000 0.835 125 A CB 0.115 19.104 19.000 -0.018 0.000 1.164 125 A HN 0.444 nan 8.150 nan 0.000 0.505 126 I N 3.678 124.241 120.570 -0.011 0.000 2.269 126 I HA 0.161 4.331 4.170 0.000 0.000 0.293 126 I C 0.700 176.787 176.117 -0.051 0.000 1.106 126 I CA 0.552 61.836 61.300 -0.028 0.000 1.248 126 I CB 0.289 38.272 38.000 -0.030 0.000 1.444 126 I HN 0.688 nan 8.210 nan 0.000 0.497 127 L N 2.501 123.686 121.223 -0.063 0.000 2.445 127 L HA 0.178 4.518 4.340 0.000 0.000 0.207 127 L C 1.350 178.139 176.870 -0.135 0.000 1.053 127 L CA 0.290 55.062 54.840 -0.112 0.000 0.841 127 L CB -0.119 41.891 42.059 -0.083 0.000 1.074 127 L HN 0.576 nan 8.230 nan 0.000 0.479 128 T N -0.783 113.722 114.554 -0.082 0.000 2.904 128 T HA 0.159 4.509 4.350 0.000 0.000 0.290 128 T C 1.056 175.708 174.700 -0.080 0.000 1.018 128 T CA -0.467 61.588 62.100 -0.074 0.000 1.075 128 T CB 1.274 70.121 68.868 -0.036 0.000 0.986 128 T HN -0.022 nan 8.240 nan 0.000 0.523 129 L N 2.851 124.026 121.223 -0.081 0.000 2.043 129 L HA -0.057 4.283 4.340 0.000 0.000 0.212 129 L C 2.334 179.159 176.870 -0.074 0.000 1.075 129 L CA 1.948 56.739 54.840 -0.082 0.000 0.752 129 L CB -0.788 41.227 42.059 -0.074 0.000 0.891 129 L HN 0.783 nan 8.230 nan 0.000 0.432 130 D N -1.166 119.199 120.400 -0.057 0.000 2.087 130 D HA -0.238 4.402 4.640 0.000 0.000 0.192 130 D C 2.057 178.326 176.300 -0.052 0.000 0.993 130 D CA 1.440 55.409 54.000 -0.052 0.000 0.828 130 D CB -0.069 40.711 40.800 -0.033 0.000 0.968 130 D HN 0.456 nan 8.370 nan 0.000 0.448 131 Q N 0.525 120.299 119.800 -0.044 0.000 2.082 131 Q HA -0.239 4.101 4.340 0.000 0.000 0.211 131 Q C 2.234 178.204 176.000 -0.051 0.000 1.002 131 Q CA 2.015 57.794 55.803 -0.041 0.000 0.868 131 Q CB -0.224 28.491 28.738 -0.037 0.000 0.931 131 Q HN 0.246 nan 8.270 nan 0.000 0.414 132 A N 0.566 123.348 122.820 -0.063 0.000 1.849 132 A HA -0.241 4.079 4.320 0.000 0.000 0.217 132 A C 2.039 179.579 177.584 -0.073 0.000 1.202 132 A CA 1.717 53.710 52.037 -0.073 0.000 0.629 132 A CB -1.000 17.950 19.000 -0.083 0.000 0.834 132 A HN 0.383 nan 8.150 nan 0.000 0.447 133 L N -0.440 120.733 121.223 -0.082 0.000 2.012 133 L HA -0.128 4.212 4.340 0.000 0.000 0.210 133 L C 2.705 179.531 176.870 -0.072 0.000 1.073 133 L CA 2.471 57.253 54.840 -0.096 0.000 0.748 133 L CB -0.665 41.310 42.059 -0.140 0.000 0.891 133 L HN 0.376 nan 8.230 nan 0.000 0.431 134 A N -1.287 121.497 122.820 -0.061 0.000 2.066 134 A HA 0.164 4.484 4.320 0.000 0.000 0.218 134 A C 2.176 179.739 177.584 -0.036 0.000 1.157 134 A CA 1.084 53.094 52.037 -0.044 0.000 0.670 134 A CB -0.773 18.204 19.000 -0.037 0.000 0.804 134 A HN 0.491 nan 8.150 nan 0.000 0.453 135 A N -1.195 121.601 122.820 -0.040 0.000 2.251 135 A HA 0.311 4.631 4.320 0.000 0.000 0.209 135 A C 0.823 178.384 177.584 -0.039 0.000 1.187 135 A CA 0.972 52.988 52.037 -0.035 0.000 0.823 135 A CB -0.302 18.677 19.000 -0.036 0.000 0.846 135 A HN 0.476 nan 8.150 nan 0.000 0.486 136 D N -0.930 119.445 120.400 -0.042 0.000 2.837 136 D HA -0.164 4.476 4.640 0.000 0.000 0.230 136 D C 0.104 176.366 176.300 -0.064 0.000 1.152 136 D CA 1.104 55.080 54.000 -0.040 0.000 0.736 136 D CB -1.551 39.233 40.800 -0.026 0.000 1.084 136 D HN 0.337 nan 8.370 nan 0.000 0.429 137 S N 0.077 115.727 115.700 -0.082 0.000 2.405 137 S HA 0.541 5.011 4.470 0.000 0.000 0.291 137 S C 0.092 174.582 174.600 -0.182 0.000 1.137 137 S CA -0.125 57.997 58.200 -0.130 0.000 1.061 137 S CB 0.147 63.280 63.200 -0.112 0.000 1.001 137 S HN 0.464 nan 8.310 nan 0.000 0.507 138 R N 2.661 123.005 120.500 -0.261 0.000 2.712 138 R HA 0.553 4.893 4.340 0.000 0.000 0.272 138 R C -1.517 174.535 176.300 -0.414 0.000 1.032 138 R CA -0.943 54.997 56.100 -0.267 0.000 0.874 138 R CB 0.412 30.665 30.300 -0.079 0.000 1.256 138 R HN 0.384 nan 8.270 nan 0.000 0.468 139 F N 0.578 120.507 119.950 -0.035 0.000 2.403 139 F HA 0.358 4.885 4.527 0.000 0.000 0.326 139 F C 0.923 176.700 175.800 -0.039 0.000 1.099 139 F CA -0.203 57.771 58.000 -0.043 0.000 1.036 139 F CB 0.885 39.851 39.000 -0.057 0.000 1.336 139 F HN 0.846 nan 8.300 nan 0.000 0.497 140 E N -0.367 119.945 120.200 0.186 0.000 3.449 140 E HA -0.255 4.095 4.350 0.000 0.000 0.289 140 E C 0.678 177.300 176.600 0.037 0.000 0.870 140 E CA 0.755 57.202 56.400 0.078 0.000 0.946 140 E CB -1.482 28.247 29.700 0.048 0.000 1.476 140 E HN 1.057 nan 8.360 nan 0.000 0.466 141 G N -0.157 108.659 108.800 0.027 0.000 2.387 141 G HA2 0.134 4.094 3.960 0.000 0.000 0.270 141 G HA3 0.134 4.094 3.960 0.000 0.000 0.270 141 G C 0.425 175.326 174.900 0.002 0.000 0.957 141 G CA 0.828 45.931 45.100 0.005 0.000 1.352 141 G HN 1.190 nan 8.290 nan 0.000 0.457 142 G N 1.160 109.961 108.800 0.002 0.000 2.497 142 G HA2 0.403 4.363 3.960 0.000 0.000 0.686 142 G HA3 0.403 4.363 3.960 0.000 0.000 0.686 142 G C -2.212 172.665 174.900 -0.038 0.000 1.288 142 G CA -0.114 44.985 45.100 -0.003 0.000 0.899 142 G HN 1.027 nan 8.290 nan 0.000 0.608 143 P HA 0.523 nan 4.420 nan 0.000 0.276 143 P C 0.445 177.620 177.300 -0.208 0.000 1.252 143 P CA -0.168 62.754 63.100 -0.297 0.000 0.802 143 P CB 1.276 32.546 31.700 -0.718 0.000 1.035 144 V N -0.984 118.784 119.914 -0.243 0.000 2.617 144 V HA 0.604 4.724 4.120 0.000 0.000 0.298 144 V C -0.048 175.886 176.094 -0.266 0.000 1.048 144 V CA -0.697 61.469 62.300 -0.223 0.000 0.964 144 V CB 0.789 32.444 31.823 -0.279 0.000 1.004 144 V HN 0.250 nan 8.190 nan 0.000 0.466 145 I N 3.203 123.678 120.570 -0.158 0.000 2.478 145 I HA 0.504 4.674 4.170 0.000 0.000 0.287 145 I C -1.007 175.202 176.117 0.153 0.000 1.042 145 I CA -0.047 61.214 61.300 -0.065 0.000 1.067 145 I CB 1.918 39.922 38.000 0.006 0.000 1.233 145 I HN 0.606 nan 8.210 nan 0.000 0.431 146 W N 5.255 126.612 121.300 0.094 0.000 2.529 146 W HA 0.825 5.485 4.660 0.000 0.000 0.321 146 W C -0.297 176.299 176.519 0.128 0.000 1.047 146 W CA -1.618 55.810 57.345 0.139 0.000 1.216 146 W CB 1.803 31.397 29.460 0.223 0.000 1.357 146 W HN 0.486 nan 8.180 nan 0.000 0.489 147 A N 4.045 127.067 122.820 0.337 0.000 2.375 147 A HA 0.697 5.017 4.320 0.000 0.000 0.295 147 A C -0.819 176.868 177.584 0.172 0.000 1.066 147 A CA -0.888 51.278 52.037 0.213 0.000 0.722 147 A CB 1.276 20.365 19.000 0.149 0.000 1.206 147 A HN 0.618 nan 8.150 nan 0.000 0.435 148 R N 2.473 123.069 120.500 0.159 0.000 2.393 148 R HA 0.563 4.903 4.340 0.000 0.000 0.310 148 R C 0.881 177.226 176.300 0.075 0.000 0.968 148 R CA 0.866 57.035 56.100 0.114 0.000 0.867 148 R CB 1.115 31.493 30.300 0.130 0.000 1.124 148 R HN 1.917 nan 8.270 nan 0.000 0.450 149 G N 2.849 111.684 108.800 0.058 0.000 2.578 149 G HA2 -0.319 3.641 3.960 0.000 0.000 0.284 149 G HA3 -0.319 3.641 3.960 0.000 0.000 0.284 149 G C -0.863 174.061 174.900 0.039 0.000 1.283 149 G CA 0.320 45.445 45.100 0.042 0.000 0.944 149 G HN 0.682 nan 8.290 nan 0.000 0.558 150 D N -0.465 119.951 120.400 0.027 0.000 2.425 150 D HA 0.513 5.153 4.640 0.000 0.000 0.240 150 D C 1.370 177.676 176.300 0.009 0.000 1.080 150 D CA -0.094 53.918 54.000 0.021 0.000 0.836 150 D CB 1.531 42.341 40.800 0.018 0.000 1.125 150 D HN 0.204 nan 8.370 nan 0.000 0.525 151 V N 4.026 123.944 119.914 0.008 0.000 2.446 151 V HA -0.092 4.028 4.120 0.000 0.000 0.244 151 V C 2.226 178.310 176.094 -0.017 0.000 1.039 151 V CA 0.774 63.068 62.300 -0.010 0.000 1.045 151 V CB -0.213 31.602 31.823 -0.013 0.000 0.681 151 V HN 0.523 nan 8.190 nan 0.000 0.459 152 E N 0.784 120.978 120.200 -0.009 0.000 2.048 152 E HA -0.243 4.107 4.350 0.000 0.000 0.202 152 E C 2.290 178.882 176.600 -0.013 0.000 1.021 152 E CA 2.258 58.651 56.400 -0.011 0.000 0.825 152 E CB -0.948 28.750 29.700 -0.004 0.000 0.756 152 E HN 0.564 nan 8.360 nan 0.000 0.454 153 T N 1.706 116.256 114.554 -0.006 0.000 2.624 153 T HA -0.214 4.136 4.350 0.000 0.000 0.268 153 T C 1.951 176.644 174.700 -0.011 0.000 1.041 153 T CA 2.115 64.212 62.100 -0.006 0.000 1.159 153 T CB -0.401 68.467 68.868 0.000 0.000 0.863 153 T HN 0.363 nan 8.240 nan 0.000 0.434 154 A N 1.152 123.964 122.820 -0.013 0.000 1.845 154 A HA 0.004 4.324 4.320 0.000 0.000 0.215 154 A C 2.364 179.932 177.584 -0.026 0.000 1.195 154 A CA 1.364 53.390 52.037 -0.018 0.000 0.616 154 A CB -0.947 18.040 19.000 -0.022 0.000 0.832 154 A HN 0.480 nan 8.150 nan 0.000 0.443 155 L N -0.647 120.556 121.223 -0.033 0.000 2.083 155 L HA -0.211 4.129 4.340 0.000 0.000 0.209 155 L C 3.086 179.936 176.870 -0.035 0.000 1.083 155 L CA 1.017 55.833 54.840 -0.040 0.000 0.752 155 L CB -0.651 41.378 42.059 -0.050 0.000 0.899 155 L HN 0.452 nan 8.230 nan 0.000 0.433 156 A N 0.253 123.055 122.820 -0.029 0.000 1.917 156 A HA -0.159 4.161 4.320 0.000 0.000 0.219 156 A C 2.126 179.694 177.584 -0.027 0.000 1.182 156 A CA 1.970 53.991 52.037 -0.026 0.000 0.633 156 A CB -0.972 18.016 19.000 -0.019 0.000 0.819 156 A HN 0.468 nan 8.150 nan 0.000 0.448 157 G N -1.434 107.350 108.800 -0.026 0.000 3.502 157 G HA2 0.458 4.418 3.960 0.000 0.000 0.267 157 G HA3 0.458 4.418 3.960 0.000 0.000 0.267 157 G C 0.410 175.289 174.900 -0.035 0.000 1.090 157 G CA 0.512 45.595 45.100 -0.028 0.000 0.795 157 G HN 0.744 nan 8.290 nan 0.000 0.535 158 A N 0.487 123.285 122.820 -0.037 0.000 2.492 158 A HA 0.584 4.904 4.320 0.000 0.000 0.254 158 A C 1.700 179.243 177.584 -0.068 0.000 1.091 158 A CA 0.487 52.501 52.037 -0.039 0.000 0.768 158 A CB 0.641 19.623 19.000 -0.029 0.000 1.028 158 A HN 0.731 nan 8.150 nan 0.000 0.498 159 A N 2.517 125.284 122.820 -0.088 0.000 2.015 159 A HA 0.114 4.434 4.320 0.000 0.000 0.219 159 A C 0.804 178.137 177.584 -0.417 0.000 1.163 159 A CA 1.445 53.356 52.037 -0.208 0.000 0.646 159 A CB -0.323 18.573 19.000 -0.173 0.000 0.806 159 A HN 0.930 nan 8.150 nan 0.000 0.448 160 H N -2.478 116.573 119.070 -0.031 0.000 2.930 160 H HA 0.649 5.205 4.556 0.000 0.000 0.371 160 H C -0.819 174.483 175.328 -0.042 0.000 1.169 160 H CA -0.541 55.486 56.048 -0.035 0.000 1.157 160 H CB 1.895 31.636 29.762 -0.035 0.000 1.789 160 H HN 0.364 nan 8.280 nan 0.000 0.547 161 L N 0.513 121.790 121.223 0.089 0.000 2.465 161 L HA 1.004 5.344 4.340 0.000 0.000 0.257 161 L C -1.651 175.217 176.870 -0.002 0.000 0.988 161 L CA -0.905 53.943 54.840 0.015 0.000 0.827 161 L CB 2.265 44.308 42.059 -0.027 0.000 1.397 161 L HN 0.700 nan 8.230 nan 0.000 0.410 162 A N 2.067 124.860 122.820 -0.045 0.000 2.381 162 A HA 0.769 5.089 4.320 0.000 0.000 0.299 162 A C -1.134 176.284 177.584 -0.277 0.000 1.049 162 A CA -0.418 51.556 52.037 -0.106 0.000 0.715 162 A CB 1.472 20.494 19.000 0.036 0.000 1.222 162 A HN 0.822 nan 8.150 nan 0.000 0.428 163 E N 1.040 120.946 120.200 -0.491 0.000 2.210 163 E HA 0.630 4.980 4.350 0.000 0.000 0.266 163 E C 0.126 176.168 176.600 -0.929 0.000 0.883 163 E CA -0.528 55.516 56.400 -0.594 0.000 0.761 163 E CB 2.390 31.886 29.700 -0.340 0.000 1.156 163 E HN 0.899 nan 8.360 nan 0.000 0.412 164 G N 0.501 108.487 108.800 -1.356 0.000 2.827 164 G HA2 0.555 4.515 3.960 0.000 0.000 0.296 164 G HA3 0.555 4.515 3.960 0.000 0.000 0.296 164 G C -1.546 172.953 174.900 -0.669 0.000 1.362 164 G CA -0.441 44.017 45.100 -1.069 0.000 0.809 164 G HN 0.572 nan 8.290 nan 0.000 0.522 165 C N 0.564 119.845 119.300 -0.032 0.000 3.044 165 C HA 0.622 5.082 4.460 0.000 0.000 0.382 165 C C -1.444 173.813 174.990 0.445 0.000 1.071 165 C CA -1.275 57.865 59.018 0.203 0.000 1.296 165 C CB -1.166 26.625 27.740 0.086 0.000 1.730 165 C HN 0.846 nan 8.230 nan 0.000 0.513 166 F N 3.745 123.870 119.950 0.291 0.000 2.547 166 F HA 0.763 5.290 4.527 0.000 0.000 0.316 166 F C -0.064 175.855 175.800 0.199 0.000 1.121 166 F CA -0.560 57.600 58.000 0.267 0.000 0.911 166 F CB 1.026 40.234 39.000 0.346 0.000 1.179 166 F HN 0.289 nan 8.300 nan 0.000 0.443 167 E N 4.260 124.464 120.200 0.007 0.000 2.383 167 E HA 0.352 4.702 4.350 0.000 0.000 0.264 167 E C -0.604 175.844 176.600 -0.252 0.000 1.050 167 E CA -0.167 56.170 56.400 -0.104 0.000 0.896 167 E CB 2.256 31.965 29.700 0.014 0.000 0.982 167 E HN 0.695 nan 8.360 nan 0.000 0.424 168 I N 1.049 121.494 120.570 -0.209 0.000 2.436 168 I HA 0.235 4.405 4.170 0.000 0.000 0.289 168 I C 0.732 176.844 176.117 -0.008 0.000 1.010 168 I CA -0.721 60.463 61.300 -0.193 0.000 1.098 168 I CB 1.983 39.882 38.000 -0.169 0.000 1.266 168 I HN 0.426 nan 8.210 nan 0.000 0.434 169 G N 3.813 112.567 108.800 -0.077 0.000 2.554 169 G HA2 0.404 4.364 3.960 0.000 0.000 0.238 169 G HA3 0.404 4.364 3.960 0.000 0.000 0.238 169 G C 0.390 175.489 174.900 0.333 0.000 1.259 169 G CA -0.089 45.049 45.100 0.065 0.000 0.843 169 G HN 0.750 nan 8.290 nan 0.000 0.582 170 G N -1.112 107.874 108.800 0.310 0.000 2.535 170 G HA2 0.515 4.475 3.960 0.000 0.000 0.282 170 G HA3 0.515 4.475 3.960 0.000 0.000 0.282 170 G C -0.343 174.750 174.900 0.320 0.000 1.350 170 G CA -0.340 44.947 45.100 0.312 0.000 1.039 170 G HN 0.724 nan 8.290 nan 0.000 0.509 171 Q N -0.946 118.941 119.800 0.144 0.000 2.364 171 Q HA 0.268 4.608 4.340 0.000 0.000 0.251 171 Q C -1.590 174.472 176.000 0.103 0.000 0.927 171 Q CA -0.650 55.206 55.803 0.088 0.000 0.924 171 Q CB 1.977 30.464 28.738 -0.419 0.000 1.419 171 Q HN 0.573 nan 8.270 nan 0.000 0.427 172 E N 1.847 122.108 120.200 0.102 0.000 2.289 172 E HA 0.123 4.473 4.350 0.000 0.000 0.278 172 E C -0.153 176.501 176.600 0.090 0.000 1.032 172 E CA 0.463 56.787 56.400 -0.127 0.000 0.854 172 E CB 0.703 29.930 29.700 -0.788 0.000 1.046 172 E HN 0.677 nan 8.360 nan 0.000 0.409 173 H N 4.188 123.238 119.070 -0.033 0.000 2.319 173 H HA -0.077 4.479 4.556 0.000 0.000 0.297 173 H C 0.094 175.268 175.328 -0.257 0.000 1.097 173 H CA 1.884 57.719 56.048 -0.356 0.000 1.285 173 H CB -0.292 29.005 29.762 -0.776 0.000 1.368 173 H HN 0.718 nan 8.280 nan 0.000 0.495 174 F N 0.549 120.246 119.950 -0.421 0.000 2.866 174 F HA -0.274 4.253 4.527 0.000 0.000 0.254 174 F C -0.879 174.807 175.800 -0.190 0.000 1.009 174 F CA -0.629 57.206 58.000 -0.274 0.000 0.907 174 F CB -1.284 37.672 39.000 -0.073 0.000 0.859 174 F HN 0.144 nan 8.300 nan 0.000 0.842 175 Y N 0.618 121.029 120.300 0.184 0.000 2.359 175 Y HA 0.333 4.883 4.550 -0.000 0.000 0.330 175 Y C 0.850 176.825 175.900 0.127 0.000 1.143 175 Y CA -1.784 56.465 58.100 0.248 0.000 1.318 175 Y CB 0.163 38.788 38.460 0.275 0.000 1.234 175 Y HN 0.089 nan 8.280 nan 0.000 0.522 176 L N 1.173 122.591 121.223 0.325 0.000 2.131 176 L HA -0.071 4.269 4.340 0.000 0.000 0.210 176 L C 1.033 177.942 176.870 0.064 0.000 1.092 176 L CA 1.358 56.303 54.840 0.176 0.000 0.759 176 L CB -0.534 41.601 42.059 0.126 0.000 0.903 176 L HN 0.842 nan 8.230 nan 0.000 0.435 177 E N 0.294 120.500 120.200 0.010 0.000 2.167 177 E HA 0.335 4.685 4.350 0.000 0.000 0.284 177 E C 0.094 176.671 176.600 -0.037 0.000 1.016 177 E CA -0.319 56.028 56.400 -0.089 0.000 0.817 177 E CB 1.267 30.824 29.700 -0.238 0.000 1.080 177 E HN 0.180 nan 8.360 nan 0.000 0.397 178 G N 3.275 112.072 108.800 -0.006 0.000 2.599 178 G HA2 0.011 3.971 3.960 0.000 0.000 0.264 178 G HA3 0.011 3.971 3.960 0.000 0.000 0.264 178 G C -0.107 174.716 174.900 -0.127 0.000 1.200 178 G CA -0.544 44.584 45.100 0.046 0.000 0.896 178 G HN 0.554 nan 8.290 nan 0.000 0.536 179 Q N -0.613 119.110 119.800 -0.128 0.000 2.304 179 Q HA 0.321 4.661 4.340 0.000 0.000 0.315 179 Q C 0.131 175.943 176.000 -0.314 0.000 1.075 179 Q CA 0.853 56.484 55.803 -0.287 0.000 0.988 179 Q CB 0.866 29.402 28.738 -0.336 0.000 1.146 179 Q HN 0.730 nan 8.270 nan 0.000 0.383 180 A N 1.346 124.017 122.820 -0.247 0.000 2.513 180 A HA 0.763 5.083 4.320 0.000 0.000 0.296 180 A C -1.511 176.009 177.584 -0.108 0.000 1.052 180 A CA -0.019 51.922 52.037 -0.161 0.000 0.714 180 A CB 1.644 20.592 19.000 -0.087 0.000 1.279 180 A HN 0.689 nan 8.150 nan 0.000 0.397 181 A N 0.964 123.734 122.820 -0.082 0.000 2.515 181 A HA 0.858 5.178 4.320 0.000 0.000 0.298 181 A C -1.696 175.885 177.584 -0.004 0.000 1.059 181 A CA -0.478 51.536 52.037 -0.038 0.000 0.698 181 A CB 1.635 20.601 19.000 -0.057 0.000 1.289 181 A HN 2.137 nan 8.150 nan 0.000 0.404 182 L N 1.491 122.735 121.223 0.035 0.000 2.491 182 L HA 0.796 5.136 4.340 0.000 0.000 0.267 182 L C -0.223 176.692 176.870 0.075 0.000 0.971 182 L CA -0.175 54.694 54.840 0.049 0.000 0.857 182 L CB 1.233 43.322 42.059 0.049 0.000 1.226 182 L HN 1.166 nan 8.230 nan 0.000 0.408 183 A N 5.899 128.736 122.820 0.029 0.000 2.301 183 A HA 0.828 5.148 4.320 0.000 0.000 0.312 183 A C -1.012 176.589 177.584 0.029 0.000 1.182 183 A CA -0.457 51.592 52.037 0.019 0.000 0.826 183 A CB 0.608 19.596 19.000 -0.019 0.000 1.134 183 A HN 0.736 nan 8.150 nan 0.000 0.501 184 L N 3.409 124.655 121.223 0.038 0.000 2.372 184 L HA 0.351 4.691 4.340 0.000 0.000 0.273 184 L C -2.593 174.284 176.870 0.011 0.000 0.989 184 L CA -1.962 52.898 54.840 0.033 0.000 0.841 184 L CB 2.164 44.265 42.059 0.071 0.000 1.225 184 L HN 0.424 nan 8.230 nan 0.000 0.414 185 P HA 0.069 nan 4.420 nan 0.000 0.269 185 P C -0.255 177.044 177.300 -0.002 0.000 1.252 185 P CA -0.015 63.083 63.100 -0.003 0.000 0.780 185 P CB 0.878 32.578 31.700 -0.001 0.000 0.829 186 A N 4.140 126.956 122.820 -0.007 0.000 3.175 186 A HA 0.269 4.589 4.320 0.000 0.000 0.289 186 A C 0.137 177.713 177.584 -0.012 0.000 1.429 186 A CA -0.584 51.449 52.037 -0.008 0.000 1.155 186 A CB -1.063 17.930 19.000 -0.012 0.000 1.169 186 A HN 0.669 nan 8.150 nan 0.000 0.574 187 E N -0.417 119.778 120.200 -0.008 0.000 1.008 187 E HA -0.105 4.246 4.350 0.000 0.000 0.356 187 E C 0.959 177.550 176.600 -0.014 0.000 1.342 187 E CA 0.691 57.086 56.400 -0.009 0.000 1.337 187 E CB -1.428 28.267 29.700 -0.008 0.000 0.398 187 E HN 1.818 nan 8.360 nan 0.000 0.359 188 G N 1.602 110.396 108.800 -0.011 0.000 2.383 188 G HA2 -0.205 3.755 3.960 0.000 0.000 0.229 188 G HA3 -0.205 3.755 3.960 0.000 0.000 0.229 188 G C 0.579 175.470 174.900 -0.015 0.000 1.089 188 G CA 0.056 45.148 45.100 -0.014 0.000 0.640 188 G HN 1.487 nan 8.290 nan 0.000 0.510 189 G N -1.381 107.408 108.800 -0.019 0.000 3.135 189 G HA2 0.874 4.834 3.960 0.000 0.000 0.278 189 G HA3 0.874 4.834 3.960 0.000 0.000 0.278 189 G C -0.684 174.201 174.900 -0.024 0.000 1.302 189 G CA 0.643 45.730 45.100 -0.021 0.000 0.880 189 G HN 1.610 nan 8.290 nan 0.000 0.574 190 V N -2.847 117.047 119.914 -0.033 0.000 3.040 190 V HA 0.861 4.981 4.120 0.000 0.000 0.312 190 V C -0.850 175.214 176.094 -0.050 0.000 1.115 190 V CA -1.076 61.201 62.300 -0.037 0.000 0.998 190 V CB 1.604 33.400 31.823 -0.045 0.000 1.042 190 V HN 0.629 nan 8.190 nan 0.000 0.433 191 V N 3.986 123.871 119.914 -0.048 0.000 2.407 191 V HA 0.500 4.620 4.120 0.000 0.000 0.291 191 V C -0.446 175.581 176.094 -0.112 0.000 1.018 191 V CA -0.362 61.884 62.300 -0.090 0.000 0.842 191 V CB 1.429 33.210 31.823 -0.070 0.000 0.996 191 V HN 0.713 nan 8.190 nan 0.000 0.426 192 I N 4.726 125.192 120.570 -0.174 0.000 2.353 192 I HA 0.477 4.647 4.170 0.000 0.000 0.293 192 I C 0.085 176.018 176.117 -0.307 0.000 0.992 192 I CA -0.261 60.950 61.300 -0.148 0.000 1.268 192 I CB 1.182 39.117 38.000 -0.108 0.000 1.387 192 I HN 0.572 nan 8.210 nan 0.000 0.478 193 H N 4.934 123.986 119.070 -0.029 0.000 2.524 193 H HA 0.626 5.182 4.556 0.000 0.000 0.353 193 H C -0.531 174.778 175.328 -0.030 0.000 1.136 193 H CA -0.427 55.607 56.048 -0.023 0.000 1.193 193 H CB 2.569 32.322 29.762 -0.015 0.000 1.558 193 H HN 0.786 nan 8.280 nan 0.000 0.515 194 C N 0.194 119.537 119.300 0.071 0.000 3.247 194 C HA 0.269 4.729 4.460 0.000 0.000 0.375 194 C C 0.362 175.347 174.990 -0.008 0.000 1.102 194 C CA -1.125 57.898 59.018 0.009 0.000 1.227 194 C CB 0.803 28.526 27.740 -0.029 0.000 1.586 194 C HN 0.769 nan 8.230 nan 0.000 0.544 195 S N 2.272 117.949 115.700 -0.039 0.000 3.024 195 S HA 0.514 4.984 4.470 0.000 0.000 0.316 195 S C 0.173 174.706 174.600 -0.112 0.000 1.197 195 S CA 0.626 58.784 58.200 -0.069 0.000 1.097 195 S CB -0.766 62.368 63.200 -0.111 0.000 1.471 195 S HN 1.385 nan 8.310 nan 0.000 0.543 196 S N 3.147 118.802 115.700 -0.074 0.000 2.546 196 S HA 0.382 4.852 4.470 0.000 0.000 0.274 196 S C 0.139 174.710 174.600 -0.047 0.000 1.121 196 S CA -0.775 57.385 58.200 -0.066 0.000 0.887 196 S CB 1.504 64.684 63.200 -0.034 0.000 1.094 196 S HN 0.763 nan 8.310 nan 0.000 0.474 197 Q N 2.083 121.858 119.800 -0.042 0.000 2.220 197 Q HA 0.272 4.612 4.340 0.000 0.000 0.205 197 Q C -0.122 175.898 176.000 0.033 0.000 0.865 197 Q CA -0.056 55.727 55.803 -0.033 0.000 0.960 197 Q CB -0.061 28.631 28.738 -0.076 0.000 1.097 197 Q HN 0.774 nan 8.270 nan 0.000 0.493 198 H N 0.833 119.876 119.070 -0.044 0.000 2.974 198 H HA 0.198 4.755 4.556 0.000 0.000 0.285 198 H C -2.219 173.087 175.328 -0.038 0.000 1.227 198 H CA -2.076 53.952 56.048 -0.032 0.000 1.569 198 H CB 1.772 31.517 29.762 -0.028 0.000 1.648 198 H HN -0.004 nan 8.280 nan 0.000 0.521 199 P HA -0.047 nan 4.420 nan 0.000 0.219 199 P C 1.369 178.690 177.300 0.034 0.000 1.154 199 P CA 0.658 63.796 63.100 0.063 0.000 0.826 199 P CB 0.557 32.278 31.700 0.035 0.000 0.795 200 S N 0.129 115.913 115.700 0.141 0.000 2.382 200 S HA -0.176 4.294 4.470 0.000 0.000 0.228 200 S C 2.015 176.548 174.600 -0.113 0.000 1.027 200 S CA 1.414 59.651 58.200 0.063 0.000 0.991 200 S CB -0.712 62.595 63.200 0.179 0.000 0.823 200 S HN 0.320 nan 8.310 nan 0.000 0.469 201 E N 0.864 120.792 120.200 -0.453 0.000 2.031 201 E HA -0.143 4.207 4.350 0.000 0.000 0.193 201 E C 1.905 178.358 176.600 -0.246 0.000 0.994 201 E CA 1.232 57.295 56.400 -0.562 0.000 0.800 201 E CB -0.244 28.827 29.700 -1.049 0.000 0.752 201 E HN 0.443 nan 8.360 nan 0.000 0.447 202 I N 1.095 121.543 120.570 -0.203 0.000 2.248 202 I HA -0.338 3.832 4.170 0.000 0.000 0.248 202 I C 2.776 178.807 176.117 -0.143 0.000 1.107 202 I CA 1.506 62.730 61.300 -0.127 0.000 1.373 202 I CB -0.279 37.666 38.000 -0.092 0.000 1.055 202 I HN 0.339 nan 8.210 nan 0.000 0.418 203 Q N 0.270 119.970 119.800 -0.167 0.000 1.975 203 Q HA -0.339 4.001 4.340 0.000 0.000 0.205 203 Q C 2.279 178.013 176.000 -0.444 0.000 0.990 203 Q CA 2.369 58.024 55.803 -0.247 0.000 0.845 203 Q CB -0.324 28.292 28.738 -0.203 0.000 0.913 203 Q HN 0.643 nan 8.270 nan 0.000 0.420 204 H N 0.105 118.786 119.070 -0.649 0.000 2.357 204 H HA -0.159 4.397 4.556 0.000 0.000 0.296 204 H C 1.975 177.085 175.328 -0.364 0.000 1.108 204 H CA 2.189 57.721 56.048 -0.860 0.000 1.273 204 H CB 0.235 29.820 29.762 -0.294 0.000 1.367 204 H HN 0.055 nan 8.280 nan 0.000 0.498 205 K N 0.098 120.482 120.400 -0.026 0.000 1.991 205 K HA -0.059 4.261 4.320 0.000 0.000 0.207 205 K C 2.444 178.996 176.600 -0.079 0.000 1.045 205 K CA 1.118 57.419 56.287 0.024 0.000 0.937 205 K CB -0.617 31.897 32.500 0.024 0.000 0.720 205 K HN 0.236 nan 8.250 nan 0.000 0.438 206 V N 1.958 121.798 119.914 -0.123 0.000 2.252 206 V HA -0.307 3.813 4.120 0.000 0.000 0.249 206 V C 2.523 178.526 176.094 -0.152 0.000 1.056 206 V CA 2.185 64.413 62.300 -0.120 0.000 1.022 206 V CB -0.919 30.830 31.823 -0.123 0.000 0.641 206 V HN 0.346 nan 8.190 nan 0.000 0.445 207 A N -0.984 121.680 122.820 -0.260 0.000 1.892 207 A HA -0.338 3.982 4.320 0.000 0.000 0.218 207 A C 2.005 179.432 177.584 -0.261 0.000 1.188 207 A CA 2.603 54.459 52.037 -0.301 0.000 0.631 207 A CB -0.961 17.732 19.000 -0.512 0.000 0.822 207 A HN 0.743 nan 8.150 nan 0.000 0.447 208 H N -1.172 117.759 119.070 -0.233 0.000 2.389 208 H HA 0.113 4.670 4.556 0.000 0.000 0.299 208 H C 2.400 177.668 175.328 -0.101 0.000 1.081 208 H CA 1.276 57.226 56.048 -0.164 0.000 1.345 208 H CB 0.001 29.645 29.762 -0.197 0.000 1.393 208 H HN 0.546 nan 8.280 nan 0.000 0.520 209 A N 0.206 123.050 122.820 0.039 0.000 2.014 209 A HA -0.036 4.284 4.320 0.000 0.000 0.218 209 A C 2.164 179.776 177.584 0.046 0.000 1.163 209 A CA 0.762 52.827 52.037 0.048 0.000 0.652 209 A CB -0.261 18.747 19.000 0.013 0.000 0.808 209 A HN 0.323 nan 8.150 nan 0.000 0.449 210 L N -2.050 119.158 121.223 -0.025 0.000 2.127 210 L HA 0.151 4.491 4.340 0.000 0.000 0.203 210 L C 1.804 178.617 176.870 -0.095 0.000 1.080 210 L CA 1.207 56.034 54.840 -0.022 0.000 0.768 210 L CB -0.180 41.845 42.059 -0.056 0.000 0.924 210 L HN 0.594 nan 8.230 nan 0.000 0.444 211 G N 0.156 108.768 108.800 -0.314 0.000 2.159 211 G HA2 -0.157 3.803 3.960 0.000 0.000 0.170 211 G HA3 -0.157 3.803 3.960 0.000 0.000 0.170 211 G C -0.026 174.662 174.900 -0.353 0.000 1.007 211 G CA -0.054 44.599 45.100 -0.745 0.000 0.672 211 G HN 0.231 nan 8.290 nan 0.000 0.507 212 L N -1.016 120.085 121.223 -0.204 0.000 2.334 212 L HA 0.989 5.329 4.340 0.000 0.000 0.270 212 L C 0.891 177.712 176.870 -0.082 0.000 1.018 212 L CA -0.908 53.870 54.840 -0.102 0.000 0.811 212 L CB 1.162 43.192 42.059 -0.049 0.000 1.271 212 L HN 0.273 nan 8.230 nan 0.000 0.443 213 A N 0.336 123.152 122.820 -0.006 0.000 2.327 213 A HA 0.372 4.692 4.320 0.000 0.000 0.255 213 A C 0.717 178.381 177.584 0.133 0.000 1.099 213 A CA -0.125 51.908 52.037 -0.006 0.000 0.801 213 A CB -0.097 18.790 19.000 -0.188 0.000 1.062 213 A HN 0.669 nan 8.150 nan 0.000 0.496 214 F N 0.360 120.166 119.950 -0.240 0.000 2.134 214 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 214 F C 2.326 178.118 175.800 -0.014 0.000 1.097 214 F CA 2.126 60.042 58.000 -0.139 0.000 1.264 214 F CB -1.122 37.800 39.000 -0.131 0.000 1.001 214 F HN 0.842 nan 8.300 nan 0.000 0.479 215 H N -2.459 116.687 119.070 0.127 0.000 2.567 215 H HA -0.007 4.549 4.556 0.000 0.000 0.276 215 H C 0.432 175.766 175.328 0.011 0.000 1.016 215 H CA 0.688 56.766 56.048 0.050 0.000 1.186 215 H CB -0.264 29.515 29.762 0.028 0.000 1.351 215 H HN 0.170 nan 8.280 nan 0.000 0.605 216 D N 1.157 121.719 120.400 0.270 0.000 2.398 216 D HA 0.148 4.788 4.640 0.000 0.000 0.210 216 D C -0.360 175.948 176.300 0.013 0.000 1.094 216 D CA 0.091 54.149 54.000 0.098 0.000 0.839 216 D CB 1.267 42.129 40.800 0.103 0.000 0.963 216 D HN 0.162 nan 8.370 nan 0.000 0.506 217 V N 1.496 121.407 119.914 -0.006 0.000 2.443 217 V HA 0.319 4.439 4.120 0.000 0.000 0.293 217 V C 0.035 176.091 176.094 -0.063 0.000 1.021 217 V CA -0.887 61.373 62.300 -0.067 0.000 0.848 217 V CB 2.596 34.336 31.823 -0.139 0.000 0.998 217 V HN -0.112 nan 8.190 nan 0.000 0.424 218 R N 3.645 124.103 120.500 -0.070 0.000 2.474 218 R HA 0.808 5.148 4.340 0.000 0.000 0.295 218 R C -1.758 174.469 176.300 -0.121 0.000 0.980 218 R CA -0.397 55.656 56.100 -0.078 0.000 0.934 218 R CB 1.966 32.222 30.300 -0.073 0.000 1.101 218 R HN 0.487 nan 8.270 nan 0.000 0.469 219 V N 4.230 124.074 119.914 -0.117 0.000 2.447 219 V HA 0.263 4.383 4.120 0.000 0.000 0.292 219 V C -0.771 175.242 176.094 -0.136 0.000 1.021 219 V CA -0.725 61.492 62.300 -0.138 0.000 0.850 219 V CB 1.622 33.387 31.823 -0.097 0.000 1.005 219 V HN 0.825 nan 8.190 nan 0.000 0.426 220 E N 4.928 124.996 120.200 -0.220 0.000 2.175 220 E HA 0.574 4.924 4.350 0.000 0.000 0.278 220 E C -0.768 175.798 176.600 -0.057 0.000 0.969 220 E CA -0.703 55.610 56.400 -0.145 0.000 0.796 220 E CB 1.856 31.442 29.700 -0.190 0.000 1.104 220 E HN 0.341 nan 8.360 nan 0.000 0.395 221 M N 3.637 123.232 119.600 -0.008 0.000 2.124 221 M HA 0.236 4.716 4.480 0.000 0.000 0.280 221 M C -0.034 176.293 176.300 0.045 0.000 0.954 221 M CA -0.476 54.837 55.300 0.022 0.000 0.958 221 M CB 1.398 34.001 32.600 0.005 0.000 1.611 221 M HN 0.424 nan 8.290 nan 0.000 0.449 222 R N 3.160 123.698 120.500 0.063 0.000 2.055 222 R HA 0.291 4.631 4.340 0.000 0.000 0.221 222 R C 0.319 176.679 176.300 0.101 0.000 1.154 222 R CA 1.270 57.413 56.100 0.071 0.000 0.975 222 R CB 0.443 30.764 30.300 0.035 0.000 0.869 222 R HN 0.802 nan 8.270 nan 0.000 0.437 223 R N -1.970 118.576 120.500 0.076 0.000 2.747 223 R HA 0.549 4.889 4.340 0.000 0.000 0.272 223 R C -0.935 175.447 176.300 0.136 0.000 1.032 223 R CA -0.736 55.425 56.100 0.102 0.000 0.896 223 R CB 1.268 31.635 30.300 0.111 0.000 1.253 223 R HN -0.094 nan 8.270 nan 0.000 0.461 224 M N -0.507 119.188 119.600 0.158 0.000 2.691 224 M HA 0.429 4.909 4.480 0.000 0.000 0.293 224 M C 0.431 176.818 176.300 0.145 0.000 1.259 224 M CA -0.687 54.686 55.300 0.120 0.000 0.827 224 M CB 2.665 35.233 32.600 -0.053 0.000 1.753 224 M HN 0.956 nan 8.290 nan 0.000 0.465 225 G N 0.026 108.795 108.800 -0.052 0.000 3.314 225 G HA2 0.522 4.482 3.960 0.000 0.000 0.238 225 G HA3 0.522 4.482 3.960 0.000 0.000 0.238 225 G C 0.224 175.129 174.900 0.010 0.000 1.184 225 G CA 0.265 45.272 45.100 -0.156 0.000 0.806 225 G HN 1.056 nan 8.290 nan 0.000 0.536 226 G N -2.291 106.483 108.800 -0.043 0.000 2.535 226 G HA2 0.426 4.386 3.960 0.000 0.000 0.662 226 G HA3 0.426 4.386 3.960 0.000 0.000 0.662 226 G C 0.344 175.149 174.900 -0.159 0.000 1.417 226 G CA -0.256 44.788 45.100 -0.093 0.000 0.866 226 G HN 0.844 nan 8.290 nan 0.000 0.647 227 G N -0.362 108.163 108.800 -0.459 0.000 2.831 227 G HA2 0.495 4.455 3.960 0.000 0.000 0.200 227 G HA3 0.495 4.455 3.960 0.000 0.000 0.200 227 G C 1.042 175.933 174.900 -0.016 0.000 1.130 227 G CA 0.914 45.882 45.100 -0.219 0.000 0.678 227 G HN 1.541 nan 8.290 nan 0.000 0.795 228 F N 0.863 120.809 119.950 -0.008 0.000 3.112 228 F HA -0.230 4.297 4.527 0.000 0.000 0.280 228 F C 1.982 177.711 175.800 -0.117 0.000 0.863 228 F CA 1.076 59.044 58.000 -0.052 0.000 0.987 228 F CB -1.473 37.487 39.000 -0.067 0.000 1.153 228 F HN 0.884 nan 8.300 nan 0.000 0.517 229 G N -1.500 107.303 108.800 0.005 0.000 2.259 229 G HA2 -0.149 3.811 3.960 0.000 0.000 0.217 229 G HA3 -0.149 3.811 3.960 0.000 0.000 0.217 229 G C 1.126 175.934 174.900 -0.154 0.000 1.001 229 G CA 0.020 45.148 45.100 0.047 0.000 0.627 229 G HN 1.097 nan 8.290 nan 0.000 0.501 230 G N 0.249 108.673 108.800 -0.626 0.000 2.511 230 G HA2 0.146 4.106 3.960 0.000 0.000 0.217 230 G HA3 0.146 4.106 3.960 0.000 0.000 0.217 230 G C 1.253 176.047 174.900 -0.177 0.000 1.133 230 G CA 1.247 45.901 45.100 -0.742 0.000 0.792 230 G HN 0.497 nan 8.290 nan 0.000 0.539 231 K N 0.002 120.298 120.400 -0.174 0.000 2.437 231 K HA 0.178 4.498 4.320 0.000 0.000 0.205 231 K C 1.752 178.317 176.600 -0.059 0.000 1.026 231 K CA -0.171 56.019 56.287 -0.163 0.000 1.153 231 K CB 0.568 32.913 32.500 -0.258 0.000 0.863 231 K HN 0.353 nan 8.250 nan 0.000 0.502 232 Q N 1.142 120.933 119.800 -0.016 0.000 2.008 232 Q HA -0.105 4.235 4.340 0.000 0.000 0.196 232 Q C 1.913 177.969 176.000 0.094 0.000 0.973 232 Q CA 2.068 57.910 55.803 0.065 0.000 0.826 232 Q CB 0.233 29.026 28.738 0.091 0.000 0.894 232 Q HN 0.270 nan 8.270 nan 0.000 0.439 233 S N -1.184 114.567 115.700 0.085 0.000 2.502 233 S HA 0.097 4.567 4.470 0.000 0.000 0.215 233 S C 1.280 175.945 174.600 0.108 0.000 1.009 233 S CA -0.334 57.919 58.200 0.089 0.000 0.908 233 S CB 0.395 63.654 63.200 0.100 0.000 0.801 233 S HN 0.327 nan 8.310 nan 0.000 0.505 234 Q N 1.006 120.864 119.800 0.096 0.000 2.280 234 Q HA 0.296 4.636 4.340 0.000 0.000 0.201 234 Q C 1.674 177.744 176.000 0.116 0.000 0.890 234 Q CA 0.601 56.491 55.803 0.145 0.000 0.947 234 Q CB 0.067 28.881 28.738 0.126 0.000 1.081 234 Q HN 0.659 nan 8.270 nan 0.000 0.502 235 G N 1.806 110.637 108.800 0.050 0.000 2.403 235 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 235 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 235 G C 1.225 176.147 174.900 0.038 0.000 1.154 235 G CA 0.357 45.458 45.100 0.001 0.000 0.784 235 G HN 0.403 nan 8.290 nan 0.000 0.538 236 N N -0.017 118.722 118.700 0.065 0.000 2.132 236 N HA -0.200 4.540 4.740 0.000 0.000 0.191 236 N C 1.874 177.409 175.510 0.042 0.000 1.015 236 N CA 1.236 54.304 53.050 0.031 0.000 0.864 236 N CB -0.239 38.258 38.487 0.016 0.000 1.006 236 N HN 0.415 nan 8.380 nan 0.000 0.430 237 H N -0.305 118.838 119.070 0.122 0.000 2.428 237 H HA 0.067 4.623 4.556 0.000 0.000 0.296 237 H C 1.734 177.199 175.328 0.228 0.000 1.062 237 H CA 0.815 57.012 56.048 0.248 0.000 1.350 237 H CB 0.161 30.150 29.762 0.378 0.000 1.403 237 H HN 0.101 nan 8.280 nan 0.000 0.533 238 L N -0.582 120.732 121.223 0.151 0.000 2.162 238 L HA 0.075 4.415 4.340 0.000 0.000 0.205 238 L C 2.552 179.402 176.870 -0.034 0.000 1.086 238 L CA 1.031 55.853 54.840 -0.031 0.000 0.778 238 L CB -0.410 41.528 42.059 -0.203 0.000 0.928 238 L HN 0.245 nan 8.230 nan 0.000 0.446 239 A N 0.063 122.870 122.820 -0.022 0.000 1.902 239 A HA -0.158 4.162 4.320 0.000 0.000 0.217 239 A C 2.295 179.855 177.584 -0.040 0.000 1.181 239 A CA 1.686 53.699 52.037 -0.039 0.000 0.623 239 A CB -0.697 18.275 19.000 -0.046 0.000 0.818 239 A HN 0.337 nan 8.150 nan 0.000 0.443 240 I N -0.462 120.094 120.570 -0.024 0.000 2.286 240 I HA -0.221 3.949 4.170 0.000 0.000 0.245 240 I C 2.983 179.080 176.117 -0.034 0.000 1.104 240 I CA 0.871 62.152 61.300 -0.031 0.000 1.397 240 I CB -0.362 37.618 38.000 -0.033 0.000 1.072 240 I HN 0.360 nan 8.210 nan 0.000 0.417 241 A N 0.133 122.957 122.820 0.008 0.000 1.883 241 A HA -0.262 4.058 4.320 0.000 0.000 0.217 241 A C 2.467 179.977 177.584 -0.123 0.000 1.186 241 A CA 2.047 54.065 52.037 -0.032 0.000 0.624 241 A CB -1.280 17.696 19.000 -0.042 0.000 0.822 241 A HN 0.531 nan 8.150 nan 0.000 0.444 242 C N -1.254 117.988 119.300 -0.097 0.000 2.432 242 C HA 0.072 4.532 4.460 0.000 0.000 0.277 242 C C 3.365 178.297 174.990 -0.097 0.000 1.249 242 C CA 0.876 59.839 59.018 -0.091 0.000 1.725 242 C CB -1.332 26.371 27.740 -0.062 0.000 2.028 242 C HN 0.709 nan 8.230 nan 0.000 0.477 243 A N 0.074 122.842 122.820 -0.087 0.000 1.930 243 A HA -0.075 4.245 4.320 0.000 0.000 0.217 243 A C 2.245 179.768 177.584 -0.102 0.000 1.175 243 A CA 2.002 53.992 52.037 -0.079 0.000 0.627 243 A CB -0.647 18.311 19.000 -0.070 0.000 0.815 243 A HN 0.383 nan 8.150 nan 0.000 0.443 244 V N -0.229 119.595 119.914 -0.151 0.000 2.358 244 V HA -0.211 3.909 4.120 0.000 0.000 0.246 244 V C 3.021 178.907 176.094 -0.347 0.000 1.047 244 V CA 1.848 64.018 62.300 -0.217 0.000 1.035 244 V CB -1.162 30.508 31.823 -0.254 0.000 0.658 244 V HN 0.601 nan 8.190 nan 0.000 0.452 245 A N 0.022 122.582 122.820 -0.434 0.000 1.898 245 A HA -0.044 4.276 4.320 0.000 0.000 0.216 245 A C 2.404 179.957 177.584 -0.051 0.000 1.181 245 A CA 1.883 53.719 52.037 -0.335 0.000 0.620 245 A CB -0.712 18.167 19.000 -0.201 0.000 0.819 245 A HN 0.547 nan 8.150 nan 0.000 0.442 246 A N -0.412 122.370 122.820 -0.062 0.000 1.930 246 A HA -0.125 4.195 4.320 0.000 0.000 0.217 246 A C 2.226 179.809 177.584 -0.001 0.000 1.175 246 A CA 1.654 53.679 52.037 -0.019 0.000 0.627 246 A CB -0.434 18.550 19.000 -0.028 0.000 0.815 246 A HN 0.545 nan 8.150 nan 0.000 0.443 247 R N -0.549 119.942 120.500 -0.015 0.000 2.075 247 R HA -0.019 4.321 4.340 0.000 0.000 0.232 247 R C 2.170 178.500 176.300 0.050 0.000 1.126 247 R CA 1.316 57.422 56.100 0.010 0.000 0.963 247 R CB -0.291 30.010 30.300 0.002 0.000 0.858 247 R HN 0.430 nan 8.270 nan 0.000 0.435 248 A N -0.422 122.448 122.820 0.084 0.000 1.975 248 A HA -0.056 4.264 4.320 0.000 0.000 0.215 248 A C 1.915 179.602 177.584 0.171 0.000 1.170 248 A CA 1.460 53.607 52.037 0.184 0.000 0.656 248 A CB -0.235 19.010 19.000 0.409 0.000 0.821 248 A HN 0.557 nan 8.150 nan 0.000 0.449 249 T N -5.248 109.396 114.554 0.150 0.000 3.022 249 T HA 0.404 4.754 4.350 0.000 0.000 0.250 249 T C 1.600 176.335 174.700 0.058 0.000 1.060 249 T CA 1.097 63.261 62.100 0.108 0.000 1.013 249 T CB 0.293 69.230 68.868 0.117 0.000 0.982 249 T HN 1.510 nan 8.240 nan 0.000 0.508 250 G N 2.212 111.040 108.800 0.046 0.000 2.353 250 G HA2 -0.322 3.638 3.960 0.000 0.000 0.258 250 G HA3 -0.322 3.638 3.960 0.000 0.000 0.258 250 G C 0.381 175.290 174.900 0.015 0.000 1.013 250 G CA 0.256 45.372 45.100 0.026 0.000 0.622 250 G HN 0.663 nan 8.290 nan 0.000 0.535 251 R N 1.589 122.098 120.500 0.016 0.000 2.539 251 R HA 0.363 4.703 4.340 0.000 0.000 0.275 251 R C -2.259 174.035 176.300 -0.010 0.000 1.077 251 R CA -1.392 54.708 56.100 -0.000 0.000 1.097 251 R CB 0.492 30.789 30.300 -0.005 0.000 1.018 251 R HN 0.182 nan 8.270 nan 0.000 0.483 252 P HA 0.010 nan 4.420 nan 0.000 0.268 252 P C -0.586 176.685 177.300 -0.049 0.000 1.204 252 P CA -0.019 63.066 63.100 -0.025 0.000 0.768 252 P CB 0.530 32.216 31.700 -0.023 0.000 0.842 253 C N 4.644 123.919 119.300 -0.041 0.000 2.364 253 C HA 0.445 4.905 4.460 0.000 0.000 0.324 253 C C 0.379 175.347 174.990 -0.036 0.000 1.234 253 C CA -0.377 58.609 59.018 -0.054 0.000 1.417 253 C CB 0.804 28.519 27.740 -0.043 0.000 2.101 253 C HN 0.559 nan 8.230 nan 0.000 0.466 254 K N 4.304 124.686 120.400 -0.031 0.000 2.244 254 K HA 0.752 5.072 4.320 0.000 0.000 0.260 254 K C -1.247 175.402 176.600 0.081 0.000 0.951 254 K CA -0.402 55.911 56.287 0.043 0.000 0.826 254 K CB 1.296 33.863 32.500 0.112 0.000 1.108 254 K HN 0.853 nan 8.250 nan 0.000 0.433 255 M N 4.350 123.968 119.600 0.030 0.000 2.326 255 M HA 0.412 4.892 4.480 0.000 0.000 0.306 255 M C -1.473 174.826 176.300 -0.001 0.000 1.054 255 M CA -0.714 54.589 55.300 0.006 0.000 0.922 255 M CB 1.611 34.146 32.600 -0.109 0.000 1.632 255 M HN 0.784 nan 8.290 nan 0.000 0.436 256 R N 3.282 123.838 120.500 0.094 0.000 2.725 256 R HA 0.494 4.834 4.340 0.000 0.000 0.277 256 R C -2.246 174.205 176.300 0.251 0.000 0.987 256 R CA -0.617 55.518 56.100 0.059 0.000 0.901 256 R CB 0.816 31.140 30.300 0.040 0.000 1.207 256 R HN 0.637 nan 8.270 nan 0.000 0.463 257 Y N 1.247 121.595 120.300 0.080 0.000 2.299 257 Y HA 0.209 4.759 4.550 0.000 0.000 0.326 257 Y C 0.313 176.255 175.900 0.070 0.000 1.164 257 Y CA -0.981 57.172 58.100 0.088 0.000 1.234 257 Y CB 1.283 39.791 38.460 0.079 0.000 1.219 257 Y HN 0.492 nan 8.280 nan 0.000 0.497 258 D N 1.727 122.271 120.400 0.241 0.000 2.339 258 D HA 0.018 4.658 4.640 0.000 0.000 0.245 258 D C 1.112 177.452 176.300 0.068 0.000 1.115 258 D CA -0.086 53.982 54.000 0.113 0.000 0.917 258 D CB 1.126 41.984 40.800 0.097 0.000 1.192 258 D HN 0.554 nan 8.370 nan 0.000 0.428 259 R N 1.400 121.904 120.500 0.006 0.000 2.133 259 R HA -0.217 4.123 4.340 0.000 0.000 0.247 259 R C 0.996 177.267 176.300 -0.049 0.000 1.151 259 R CA 1.791 57.849 56.100 -0.071 0.000 0.971 259 R CB -0.150 30.072 30.300 -0.131 0.000 0.866 259 R HN 0.400 nan 8.270 nan 0.000 0.447 260 D N 0.224 120.615 120.400 -0.015 0.000 2.242 260 D HA -0.208 4.432 4.640 0.000 0.000 0.193 260 D C 1.459 177.693 176.300 -0.109 0.000 1.005 260 D CA 2.029 56.005 54.000 -0.041 0.000 0.856 260 D CB -0.460 40.313 40.800 -0.045 0.000 1.001 260 D HN 0.289 nan 8.370 nan 0.000 0.452 261 D N 0.126 120.448 120.400 -0.129 0.000 2.117 261 D HA -0.141 4.499 4.640 0.000 0.000 0.197 261 D C 1.661 177.818 176.300 -0.239 0.000 0.987 261 D CA 0.685 54.543 54.000 -0.236 0.000 0.829 261 D CB -0.446 40.139 40.800 -0.358 0.000 0.961 261 D HN 0.284 nan 8.370 nan 0.000 0.460 262 D N 0.035 120.368 120.400 -0.112 0.000 2.172 262 D HA -0.155 4.485 4.640 0.000 0.000 0.196 262 D C 1.946 178.251 176.300 0.009 0.000 0.999 262 D CA 0.953 54.988 54.000 0.059 0.000 0.856 262 D CB 0.109 41.001 40.800 0.154 0.000 0.934 262 D HN 0.265 nan 8.370 nan 0.000 0.453 263 M N -0.740 118.829 119.600 -0.052 0.000 2.466 263 M HA -0.045 4.435 4.480 0.000 0.000 0.265 263 M C 2.292 178.592 176.300 0.000 0.000 1.122 263 M CA 0.219 55.487 55.300 -0.053 0.000 1.157 263 M CB 0.434 32.981 32.600 -0.089 0.000 1.352 263 M HN -0.146 nan 8.290 nan 0.000 0.464 264 V N 0.885 120.787 119.914 -0.021 0.000 2.323 264 V HA -0.183 3.937 4.120 0.000 0.000 0.244 264 V C 2.125 178.297 176.094 0.130 0.000 1.041 264 V CA 1.598 63.908 62.300 0.017 0.000 1.025 264 V CB -0.310 31.448 31.823 -0.107 0.000 0.656 264 V HN 0.376 nan 8.190 nan 0.000 0.451 265 I N -0.672 119.913 120.570 0.025 0.000 2.206 265 I HA -0.044 4.126 4.170 0.000 0.000 0.239 265 I C 1.512 177.733 176.117 0.173 0.000 1.078 265 I CA 1.215 62.573 61.300 0.096 0.000 1.367 265 I CB -0.209 37.703 38.000 -0.147 0.000 1.078 265 I HN 0.302 nan 8.210 nan 0.000 0.413 266 T N 0.307 114.934 114.554 0.121 0.000 2.934 266 T HA 0.541 4.891 4.350 0.000 0.000 0.283 266 T C 0.127 174.889 174.700 0.103 0.000 1.005 266 T CA -0.526 61.655 62.100 0.136 0.000 1.041 266 T CB 1.345 70.347 68.868 0.223 0.000 1.042 266 T HN 0.271 nan 8.240 nan 0.000 0.505 267 G N 2.272 111.124 108.800 0.087 0.000 2.504 267 G HA2 0.595 4.555 3.960 0.000 0.000 0.288 267 G HA3 0.595 4.555 3.960 0.000 0.000 0.288 267 G C -0.870 174.115 174.900 0.142 0.000 1.182 267 G CA -0.675 44.465 45.100 0.067 0.000 0.894 267 G HN 0.737 nan 8.290 nan 0.000 0.521 268 K N -0.696 119.765 120.400 0.102 0.000 2.354 268 K HA 0.477 4.797 4.320 0.000 0.000 0.238 268 K C 0.393 177.040 176.600 0.079 0.000 1.068 268 K CA -0.908 55.451 56.287 0.120 0.000 0.925 268 K CB 0.928 33.495 32.500 0.112 0.000 1.286 268 K HN 0.469 nan 8.250 nan 0.000 0.500 269 R N 1.162 121.716 120.500 0.090 0.000 2.522 269 R HA -0.009 4.331 4.340 0.000 0.000 0.284 269 R C -0.737 175.575 176.300 0.020 0.000 1.032 269 R CA 0.044 56.143 56.100 -0.002 0.000 1.049 269 R CB -0.054 30.003 30.300 -0.405 0.000 0.956 269 R HN 0.526 nan 8.270 nan 0.000 0.422 270 H N 3.211 122.314 119.070 0.055 0.000 3.184 270 H HA -0.061 4.495 4.556 0.000 0.000 0.274 270 H C -0.230 175.236 175.328 0.231 0.000 0.962 270 H CA 0.874 56.985 56.048 0.106 0.000 1.441 270 H CB 0.105 29.946 29.762 0.133 0.000 1.518 270 H HN 0.523 nan 8.280 nan 0.000 0.539 271 D N 3.679 124.227 120.400 0.248 0.000 2.345 271 D HA 0.091 4.731 4.640 0.000 0.000 0.247 271 D C -0.150 176.282 176.300 0.220 0.000 1.108 271 D CA -0.132 54.034 54.000 0.277 0.000 0.894 271 D CB 1.027 41.946 40.800 0.198 0.000 1.203 271 D HN 0.268 nan 8.370 nan 0.000 0.430 272 F N -0.051 119.908 119.950 0.015 0.000 2.575 272 F HA 0.422 4.949 4.527 0.000 0.000 0.330 272 F C 0.840 176.587 175.800 -0.088 0.000 1.056 272 F CA -1.202 56.775 58.000 -0.038 0.000 0.964 272 F CB 2.317 41.260 39.000 -0.094 0.000 1.258 272 F HN 0.093 nan 8.300 nan 0.000 0.484 273 R N 2.773 123.324 120.500 0.086 0.000 2.480 273 R HA 0.625 4.965 4.340 0.000 0.000 0.306 273 R C -1.726 174.654 176.300 0.135 0.000 0.958 273 R CA -0.435 55.688 56.100 0.037 0.000 0.861 273 R CB 1.098 31.411 30.300 0.021 0.000 1.171 273 R HN 0.675 nan 8.270 nan 0.000 0.445 274 I N 4.634 125.251 120.570 0.079 0.000 2.411 274 I HA 0.335 4.505 4.170 0.000 0.000 0.284 274 I C -0.096 176.279 176.117 0.429 0.000 1.012 274 I CA -0.739 60.743 61.300 0.305 0.000 1.119 274 I CB 1.767 39.947 38.000 0.300 0.000 1.261 274 I HN 0.437 nan 8.210 nan 0.000 0.448 275 R N 7.178 127.900 120.500 0.370 0.000 2.254 275 R HA 0.388 4.728 4.340 0.000 0.000 0.318 275 R C -1.605 174.907 176.300 0.353 0.000 1.031 275 R CA -0.338 55.915 56.100 0.255 0.000 0.905 275 R CB 0.820 31.196 30.300 0.126 0.000 1.050 275 R HN 0.560 nan 8.270 nan 0.000 0.456 276 Y N 1.135 121.545 120.300 0.183 0.000 2.376 276 Y HA 0.549 5.099 4.550 0.000 0.000 0.340 276 Y C -1.045 174.764 175.900 -0.151 0.000 0.965 276 Y CA -1.255 56.864 58.100 0.032 0.000 1.078 276 Y CB 1.430 40.008 38.460 0.196 0.000 1.193 276 Y HN 0.400 nan 8.280 nan 0.000 0.452 277 R N 5.451 125.843 120.500 -0.180 0.000 2.412 277 R HA 0.529 4.869 4.340 0.000 0.000 0.304 277 R C -1.519 174.658 176.300 -0.207 0.000 1.066 277 R CA -0.549 55.436 56.100 -0.191 0.000 0.923 277 R CB 1.915 32.114 30.300 -0.168 0.000 1.156 277 R HN 0.935 nan 8.270 nan 0.000 0.513 278 I N 0.997 121.493 120.570 -0.123 0.000 2.562 278 I HA 0.678 4.848 4.170 0.000 0.000 0.301 278 I C -0.219 175.852 176.117 -0.077 0.000 1.003 278 I CA -0.430 60.797 61.300 -0.122 0.000 1.127 278 I CB 1.850 39.802 38.000 -0.079 0.000 1.304 278 I HN 0.630 nan 8.210 nan 0.000 0.446 279 G N 4.304 113.062 108.800 -0.070 0.000 2.714 279 G HA2 0.888 4.848 3.960 0.000 0.000 0.292 279 G HA3 0.888 4.848 3.960 0.000 0.000 0.292 279 G C -1.741 173.145 174.900 -0.023 0.000 1.308 279 G CA -0.352 44.727 45.100 -0.035 0.000 0.964 279 G HN 0.969 nan 8.290 nan 0.000 0.484 280 A N -0.123 122.704 122.820 0.012 0.000 2.586 280 A HA 0.680 5.000 4.320 0.000 0.000 0.290 280 A C -1.341 176.273 177.584 0.051 0.000 1.086 280 A CA -0.432 51.619 52.037 0.023 0.000 0.665 280 A CB 1.364 20.374 19.000 0.017 0.000 1.279 280 A HN 0.953 nan 8.150 nan 0.000 0.423 281 D N 0.165 120.592 120.400 0.045 0.000 2.432 281 D HA 0.588 5.229 4.640 0.000 0.000 0.258 281 D C 1.214 177.565 176.300 0.085 0.000 1.146 281 D CA 0.100 54.123 54.000 0.038 0.000 1.015 281 D CB 1.054 41.867 40.800 0.021 0.000 1.107 281 D HN 0.752 nan 8.370 nan 0.000 0.529 282 A N 0.486 123.330 122.820 0.040 0.000 1.940 282 A HA -0.201 4.119 4.320 0.000 0.000 0.219 282 A C 2.096 179.732 177.584 0.086 0.000 1.176 282 A CA 2.744 54.819 52.037 0.064 0.000 0.631 282 A CB -1.195 17.807 19.000 0.004 0.000 0.814 282 A HN 0.682 nan 8.150 nan 0.000 0.446 283 S N -2.330 113.399 115.700 0.049 0.000 2.423 283 S HA 0.305 4.775 4.470 0.000 0.000 0.231 283 S C 1.548 176.163 174.600 0.026 0.000 1.014 283 S CA 1.494 59.715 58.200 0.034 0.000 0.965 283 S CB -0.137 63.077 63.200 0.023 0.000 0.785 283 S HN 1.814 nan 8.310 nan 0.000 0.495 284 G N 0.464 109.283 108.800 0.032 0.000 2.705 284 G HA2 -0.116 3.844 3.960 0.000 0.000 0.193 284 G HA3 -0.116 3.844 3.960 0.000 0.000 0.193 284 G C -0.135 174.756 174.900 -0.014 0.000 1.015 284 G CA -0.446 44.654 45.100 -0.000 0.000 0.743 284 G HN 0.346 nan 8.290 nan 0.000 0.476 285 K N 1.473 121.875 120.400 0.005 0.000 2.448 285 K HA 0.304 4.624 4.320 0.000 0.000 0.278 285 K C 0.916 177.517 176.600 0.001 0.000 1.009 285 K CA -0.065 56.228 56.287 0.011 0.000 0.995 285 K CB 0.848 33.374 32.500 0.043 0.000 0.917 285 K HN 0.394 nan 8.250 nan 0.000 0.481 286 L N 3.369 124.581 121.223 -0.017 0.000 2.456 286 L HA 0.005 4.346 4.340 0.000 0.000 0.272 286 L C 1.641 178.493 176.870 -0.030 0.000 1.189 286 L CA 0.029 54.845 54.840 -0.040 0.000 0.846 286 L CB 0.112 42.130 42.059 -0.069 0.000 1.111 286 L HN 0.530 nan 8.230 nan 0.000 0.475 287 L N 1.436 122.637 121.223 -0.036 0.000 2.642 287 L HA 0.414 4.754 4.340 0.000 0.000 0.233 287 L C 0.569 177.409 176.870 -0.050 0.000 1.077 287 L CA 0.136 54.957 54.840 -0.032 0.000 0.879 287 L CB 0.783 42.831 42.059 -0.018 0.000 1.151 287 L HN 0.791 nan 8.230 nan 0.000 0.495 288 G N -0.245 108.518 108.800 -0.062 0.000 2.433 288 G HA2 0.533 4.493 3.960 0.000 0.000 0.306 288 G HA3 0.533 4.493 3.960 0.000 0.000 0.306 288 G C -1.935 172.908 174.900 -0.094 0.000 1.627 288 G CA 0.049 45.109 45.100 -0.067 0.000 0.893 288 G HN 0.024 nan 8.290 nan 0.000 0.648 289 A N 1.115 123.870 122.820 -0.109 0.000 2.343 289 A HA 0.782 5.102 4.320 0.000 0.000 0.308 289 A C -1.145 176.250 177.584 -0.314 0.000 1.092 289 A CA -0.550 51.333 52.037 -0.257 0.000 0.751 289 A CB 1.979 20.837 19.000 -0.237 0.000 1.203 289 A HN 0.743 nan 8.150 nan 0.000 0.452 290 D N 1.499 121.653 120.400 -0.410 0.000 2.303 290 D HA 0.635 5.275 4.640 0.000 0.000 0.236 290 D C -1.283 174.788 176.300 -0.382 0.000 1.068 290 D CA 0.149 53.991 54.000 -0.263 0.000 0.830 290 D CB 0.424 41.142 40.800 -0.137 0.000 1.109 290 D HN 0.276 nan 8.370 nan 0.000 0.496 291 F N 2.509 122.476 119.950 0.028 0.000 2.520 291 F HA 0.519 5.046 4.527 -0.000 0.000 0.322 291 F C -0.334 175.447 175.800 -0.031 0.000 1.103 291 F CA -1.068 56.950 58.000 0.029 0.000 0.926 291 F CB 2.123 41.110 39.000 -0.023 0.000 1.154 291 F HN 0.014 nan 8.300 nan 0.000 0.453 292 V N 2.797 122.880 119.914 0.281 0.000 2.407 292 V HA 0.315 4.435 4.120 0.000 0.000 0.291 292 V C -0.673 175.637 176.094 0.360 0.000 1.018 292 V CA -0.780 61.652 62.300 0.220 0.000 0.842 292 V CB 1.343 33.289 31.823 0.206 0.000 0.996 292 V HN 0.732 nan 8.190 nan 0.000 0.426 293 H N 5.306 124.551 119.070 0.290 0.000 2.467 293 H HA 0.668 5.224 4.556 -0.000 0.000 0.326 293 H C -0.811 174.647 175.328 0.217 0.000 1.094 293 H CA -0.794 55.451 56.048 0.328 0.000 1.253 293 H CB 1.622 31.643 29.762 0.433 0.000 1.439 293 H HN 0.436 nan 8.280 nan 0.000 0.479 294 L N 2.893 124.230 121.223 0.190 0.000 2.343 294 L HA 0.566 4.906 4.340 0.000 0.000 0.278 294 L C -0.342 176.300 176.870 -0.380 0.000 0.996 294 L CA -0.740 54.077 54.840 -0.039 0.000 0.831 294 L CB 1.581 43.616 42.059 -0.040 0.000 1.232 294 L HN 0.608 nan 8.230 nan 0.000 0.413 295 A N 3.176 125.690 122.820 -0.509 0.000 2.330 295 A HA 0.665 4.985 4.320 0.000 0.000 0.327 295 A C -0.293 177.131 177.584 -0.267 0.000 1.155 295 A CA -0.708 50.865 52.037 -0.773 0.000 0.803 295 A CB 1.154 19.536 19.000 -1.030 0.000 1.208 295 A HN 0.625 nan 8.150 nan 0.000 0.477 296 R N 2.108 122.508 120.500 -0.166 0.000 2.429 296 R HA 0.158 4.498 4.340 0.000 0.000 0.302 296 R C 0.014 176.343 176.300 0.049 0.000 1.268 296 R CA -0.002 56.057 56.100 -0.067 0.000 1.090 296 R CB -0.096 30.142 30.300 -0.104 0.000 1.102 296 R HN 0.874 nan 8.270 nan 0.000 0.522 297 C N 1.000 120.376 119.300 0.127 0.000 2.504 297 C HA 0.265 4.725 4.460 0.000 0.000 0.279 297 C C 1.329 176.360 174.990 0.068 0.000 1.358 297 C CA 0.707 59.870 59.018 0.242 0.000 1.747 297 C CB -0.629 27.327 27.740 0.360 0.000 2.037 297 C HN 0.987 nan 8.230 nan 0.000 0.503 298 G N 0.168 109.015 108.800 0.078 0.000 2.566 298 G HA2 -0.178 3.782 3.960 0.000 0.000 0.599 298 G HA3 -0.178 3.782 3.960 0.000 0.000 0.599 298 G C 0.278 175.300 174.900 0.202 0.000 1.292 298 G CA 0.009 45.144 45.100 0.058 0.000 0.922 298 G HN 0.553 nan 8.290 nan 0.000 0.514 299 W N 0.022 121.326 121.300 0.007 0.000 2.525 299 W HA 0.390 5.050 4.660 0.000 0.000 0.259 299 W C 0.561 177.186 176.519 0.177 0.000 1.253 299 W CA 1.163 58.553 57.345 0.076 0.000 1.262 299 W CB -0.753 28.770 29.460 0.106 0.000 1.122 299 W HN 1.237 nan 8.180 nan 0.000 0.607 300 S N -0.377 114.964 115.700 -0.599 0.000 2.541 300 S HA 0.590 5.060 4.470 0.000 0.000 0.280 300 S C 0.891 175.108 174.600 -0.638 0.000 1.112 300 S CA 0.003 57.736 58.200 -0.778 0.000 0.925 300 S CB 1.707 63.914 63.200 -1.655 0.000 1.067 300 S HN 0.179 nan 8.310 nan 0.000 0.479 301 A N 3.740 126.117 122.820 -0.738 0.000 1.859 301 A HA -0.031 4.289 4.320 0.000 0.000 0.218 301 A C 1.210 178.439 177.584 -0.591 0.000 1.209 301 A CA 2.570 53.988 52.037 -1.032 0.000 0.639 301 A CB -1.891 16.775 19.000 -0.557 0.000 0.835 301 A HN 1.269 nan 8.150 nan 0.000 0.450 302 D N -2.475 117.709 120.400 -0.360 0.000 3.608 302 D HA -0.244 4.396 4.640 0.000 0.000 0.152 302 D C 0.449 176.683 176.300 -0.111 0.000 0.971 302 D CA 2.222 56.113 54.000 -0.183 0.000 1.072 302 D CB -1.130 39.584 40.800 -0.143 0.000 0.507 302 D HN 0.214 nan 8.370 nan 0.000 0.520 303 L N 0.248 121.459 121.223 -0.020 0.000 2.667 303 L HA 0.262 4.602 4.340 0.000 0.000 0.232 303 L C 2.010 178.848 176.870 -0.052 0.000 1.138 303 L CA 0.099 54.975 54.840 0.060 0.000 0.921 303 L CB 0.154 42.361 42.059 0.247 0.000 1.180 303 L HN 0.188 nan 8.230 nan 0.000 0.487 304 S N 0.718 116.339 115.700 -0.133 0.000 2.372 304 S HA -0.288 4.182 4.470 0.000 0.000 0.227 304 S C 1.902 176.337 174.600 -0.275 0.000 1.044 304 S CA 1.948 59.979 58.200 -0.281 0.000 1.050 304 S CB -0.317 62.723 63.200 -0.266 0.000 0.901 304 S HN 0.461 nan 8.310 nan 0.000 0.447 305 L N 2.163 123.286 121.223 -0.167 0.000 1.956 305 L HA -0.119 4.221 4.340 0.000 0.000 0.216 305 L C -1.098 175.776 176.870 0.006 0.000 1.073 305 L CA 1.890 56.688 54.840 -0.070 0.000 0.762 305 L CB -1.215 40.823 42.059 -0.036 0.000 0.889 305 L HN 0.216 nan 8.230 nan 0.000 0.433 306 P HA -0.121 nan 4.420 nan 0.000 0.218 306 P C 1.936 179.325 177.300 0.148 0.000 1.149 306 P CA 1.172 64.445 63.100 0.287 0.000 0.817 306 P CB -0.019 32.004 31.700 0.539 0.000 0.785 307 V N -0.471 119.208 119.914 -0.392 0.000 2.295 307 V HA -0.273 3.847 4.120 0.000 0.000 0.246 307 V C 2.446 178.381 176.094 -0.265 0.000 1.049 307 V CA 2.099 63.924 62.300 -0.792 0.000 1.024 307 V CB -1.447 29.857 31.823 -0.866 0.000 0.648 307 V HN 0.187 nan 8.190 nan 0.000 0.447 308 C N 0.062 119.266 119.300 -0.160 0.000 2.448 308 C HA -0.075 4.385 4.460 0.000 0.000 0.280 308 C C 2.378 177.411 174.990 0.072 0.000 1.398 308 C CA 0.274 59.300 59.018 0.013 0.000 1.774 308 C CB -1.152 26.574 27.740 -0.023 0.000 1.888 308 C HN 0.613 nan 8.230 nan 0.000 0.519 309 D N 0.629 121.098 120.400 0.115 0.000 2.117 309 D HA -0.125 4.516 4.640 0.000 0.000 0.198 309 D C 2.256 178.759 176.300 0.339 0.000 0.982 309 D CA 0.979 55.140 54.000 0.269 0.000 0.828 309 D CB -0.458 40.617 40.800 0.458 0.000 0.967 309 D HN 0.480 nan 8.370 nan 0.000 0.464 310 R N 0.635 121.298 120.500 0.273 0.000 2.189 310 R HA 0.002 4.342 4.340 0.000 0.000 0.218 310 R C 2.040 178.454 176.300 0.191 0.000 1.074 310 R CA 0.919 57.184 56.100 0.275 0.000 0.991 310 R CB 0.040 30.492 30.300 0.253 0.000 0.883 310 R HN 0.074 nan 8.270 nan 0.000 0.457 311 A N 0.780 123.651 122.820 0.086 0.000 1.855 311 A HA -0.165 4.155 4.320 0.000 0.000 0.215 311 A C 2.142 179.866 177.584 0.233 0.000 1.191 311 A CA 1.358 53.385 52.037 -0.017 0.000 0.613 311 A CB -0.397 18.481 19.000 -0.203 0.000 0.829 311 A HN 0.303 nan 8.150 nan 0.000 0.442 312 M N -1.150 118.648 119.600 0.331 0.000 2.159 312 M HA -0.108 4.372 4.480 0.000 0.000 0.263 312 M C 1.956 178.686 176.300 0.716 0.000 1.063 312 M CA 1.041 56.592 55.300 0.420 0.000 1.110 312 M CB -0.372 32.244 32.600 0.026 0.000 1.374 312 M HN 0.321 nan 8.290 nan 0.000 0.411 313 L N -0.585 121.030 121.223 0.654 0.000 2.127 313 L HA -0.197 4.143 4.340 0.000 0.000 0.211 313 L C 1.624 178.764 176.870 0.450 0.000 1.089 313 L CA 1.997 57.078 54.840 0.402 0.000 0.757 313 L CB -1.048 41.110 42.059 0.166 0.000 0.899 313 L HN 0.311 nan 8.230 nan 0.000 0.434 314 H N -2.197 117.084 119.070 0.352 0.000 2.542 314 H HA 0.399 4.955 4.556 0.000 0.000 0.283 314 H C 1.590 177.053 175.328 0.225 0.000 1.059 314 H CA 0.389 56.613 56.048 0.295 0.000 1.162 314 H CB 0.048 29.933 29.762 0.203 0.000 1.539 314 H HN 0.165 nan 8.280 nan 0.000 0.543 315 A N 0.801 123.796 122.820 0.292 0.000 2.252 315 A HA -0.068 4.252 4.320 0.000 0.000 0.207 315 A C 1.401 178.959 177.584 -0.044 0.000 1.194 315 A CA 0.902 52.926 52.037 -0.021 0.000 0.809 315 A CB -0.162 18.785 19.000 -0.088 0.000 0.814 315 A HN 0.492 nan 8.150 nan 0.000 0.482 316 D N -1.341 119.180 120.400 0.201 0.000 2.367 316 D HA 0.238 4.878 4.640 0.000 0.000 0.207 316 D C 1.164 177.642 176.300 0.297 0.000 1.034 316 D CA 0.887 55.060 54.000 0.289 0.000 0.861 316 D CB -0.582 40.540 40.800 0.537 0.000 0.943 316 D HN 0.525 nan 8.370 nan 0.000 0.515 317 G N 0.859 109.806 108.800 0.244 0.000 2.582 317 G HA2 -0.322 3.638 3.960 0.000 0.000 0.288 317 G HA3 -0.322 3.638 3.960 0.000 0.000 0.288 317 G C 0.568 175.461 174.900 -0.011 0.000 1.247 317 G CA 0.578 45.774 45.100 0.160 0.000 0.972 317 G HN 0.305 nan 8.290 nan 0.000 0.557 318 S N 0.689 116.086 115.700 -0.505 0.000 2.614 318 S HA 0.413 4.883 4.470 0.000 0.000 0.230 318 S C -0.430 173.998 174.600 -0.286 0.000 0.952 318 S CA 0.289 58.277 58.200 -0.353 0.000 0.949 318 S CB -0.144 62.885 63.200 -0.285 0.000 0.786 318 S HN 0.422 nan 8.310 nan 0.000 0.478 319 Y N 0.107 120.500 120.300 0.155 0.000 2.376 319 Y HA 0.464 5.014 4.550 0.000 0.000 0.340 319 Y C -0.345 175.300 175.900 -0.425 0.000 0.965 319 Y CA -1.635 56.413 58.100 -0.087 0.000 1.078 319 Y CB 0.664 39.099 38.460 -0.043 0.000 1.193 319 Y HN 0.113 nan 8.280 nan 0.000 0.452 320 F N 4.374 123.909 119.950 -0.692 0.000 2.487 320 F HA 0.424 4.951 4.527 0.000 0.000 0.364 320 F C -0.736 174.964 175.800 -0.167 0.000 1.126 320 F CA -0.527 57.073 58.000 -0.666 0.000 1.135 320 F CB 0.041 38.741 39.000 -0.501 0.000 1.127 320 F HN 0.199 nan 8.300 nan 0.000 0.559 321 V N 9.731 129.297 119.914 -0.580 0.000 2.398 321 V HA 0.233 4.353 4.120 0.000 0.000 0.286 321 V C -1.639 174.035 176.094 -0.701 0.000 1.026 321 V CA -1.306 60.724 62.300 -0.450 0.000 0.868 321 V CB 1.506 33.254 31.823 -0.125 0.000 0.982 321 V HN 0.615 nan 8.190 nan 0.000 0.443 322 P HA 0.029 nan 4.420 nan 0.000 0.214 322 P C 0.191 177.390 177.300 -0.168 0.000 1.162 322 P CA 1.005 63.871 63.100 -0.390 0.000 0.874 322 P CB 0.334 31.949 31.700 -0.142 0.000 0.784 323 A N -0.357 122.401 122.820 -0.102 0.000 2.331 323 A HA 0.706 5.026 4.320 0.000 0.000 0.320 323 A C -1.196 176.381 177.584 -0.012 0.000 1.138 323 A CA -0.510 51.509 52.037 -0.031 0.000 0.790 323 A CB 0.366 19.357 19.000 -0.015 0.000 1.206 323 A HN 0.153 nan 8.150 nan 0.000 0.470 324 L N 2.286 123.536 121.223 0.045 0.000 2.562 324 L HA 0.594 4.934 4.340 0.000 0.000 0.266 324 L C -0.741 176.212 176.870 0.138 0.000 0.949 324 L CA -0.346 54.544 54.840 0.083 0.000 0.879 324 L CB 1.600 43.723 42.059 0.108 0.000 1.278 324 L HN 0.842 nan 8.230 nan 0.000 0.404 325 R N 5.594 126.167 120.500 0.121 0.000 2.483 325 R HA 0.644 4.984 4.340 0.000 0.000 0.303 325 R C -1.668 174.722 176.300 0.150 0.000 0.987 325 R CA -0.502 55.685 56.100 0.145 0.000 0.881 325 R CB 1.271 31.625 30.300 0.089 0.000 1.177 325 R HN 0.596 nan 8.270 nan 0.000 0.451 326 I N 2.373 123.046 120.570 0.172 0.000 2.412 326 I HA 0.341 4.511 4.170 0.000 0.000 0.296 326 I C -0.118 175.970 176.117 -0.049 0.000 0.987 326 I CA -0.512 60.819 61.300 0.053 0.000 1.180 326 I CB 1.936 39.929 38.000 -0.012 0.000 1.340 326 I HN 0.500 nan 8.210 nan 0.000 0.455 327 E N 4.606 124.747 120.200 -0.098 0.000 2.235 327 E HA 0.329 4.679 4.350 0.000 0.000 0.252 327 E C -1.429 175.056 176.600 -0.193 0.000 0.886 327 E CA -0.301 56.011 56.400 -0.146 0.000 0.767 327 E CB 1.472 31.144 29.700 -0.047 0.000 1.205 327 E HN 0.578 nan 8.360 nan 0.000 0.421 328 S N 4.722 120.251 115.700 -0.286 0.000 2.474 328 S HA 0.310 4.780 4.470 0.000 0.000 0.321 328 S C -0.944 173.513 174.600 -0.238 0.000 1.080 328 S CA -0.659 57.460 58.200 -0.134 0.000 1.106 328 S CB 0.462 63.614 63.200 -0.080 0.000 0.984 328 S HN 0.533 nan 8.310 nan 0.000 0.464 329 H N 5.220 124.285 119.070 -0.009 0.000 2.597 329 H HA 0.307 4.863 4.556 0.000 0.000 0.303 329 H C -0.081 175.210 175.328 -0.063 0.000 1.057 329 H CA -0.802 55.224 56.048 -0.036 0.000 1.261 329 H CB 0.664 30.406 29.762 -0.034 0.000 1.397 329 H HN 0.454 nan 8.280 nan 0.000 0.461 330 R N 4.300 124.831 120.500 0.051 0.000 2.612 330 R HA 0.208 4.548 4.340 0.000 0.000 0.273 330 R C -0.152 176.225 176.300 0.128 0.000 1.376 330 R CA -0.349 55.792 56.100 0.069 0.000 1.171 330 R CB -0.271 30.093 30.300 0.108 0.000 1.151 330 R HN 0.465 nan 8.270 nan 0.000 0.560 331 L N 2.582 123.841 121.223 0.060 0.000 2.276 331 L HA 0.386 4.726 4.340 0.000 0.000 0.286 331 L C 1.046 177.907 176.870 -0.014 0.000 1.061 331 L CA -0.449 54.387 54.840 -0.007 0.000 0.807 331 L CB 1.003 43.035 42.059 -0.046 0.000 1.177 331 L HN 0.244 nan 8.230 nan 0.000 0.429 332 R N 2.404 122.781 120.500 -0.205 0.000 2.298 332 R HA 0.351 4.691 4.340 0.000 0.000 0.310 332 R C -0.693 175.540 176.300 -0.112 0.000 1.068 332 R CA -0.159 55.774 56.100 -0.277 0.000 0.957 332 R CB 0.776 30.651 30.300 -0.708 0.000 1.003 332 R HN 0.776 nan 8.270 nan 0.000 0.454 333 T N 0.627 115.166 114.554 -0.024 0.000 2.893 333 T HA 0.240 4.590 4.350 0.000 0.000 0.291 333 T C 0.068 174.794 174.700 0.043 0.000 1.028 333 T CA -0.996 61.083 62.100 -0.035 0.000 0.995 333 T CB 1.483 70.286 68.868 -0.108 0.000 1.051 333 T HN 0.547 nan 8.240 nan 0.000 0.470 334 N N 1.603 120.327 118.700 0.041 0.000 2.906 334 N HA 0.221 4.961 4.740 0.000 0.000 0.282 334 N C 0.215 175.783 175.510 0.097 0.000 1.293 334 N CA -0.148 52.977 53.050 0.125 0.000 1.059 334 N CB 0.050 38.593 38.487 0.093 0.000 1.388 334 N HN 0.783 nan 8.380 nan 0.000 0.533 335 T N -3.533 111.041 114.554 0.034 0.000 2.807 335 T HA 0.355 4.706 4.350 0.000 0.000 0.277 335 T C -0.019 174.600 174.700 -0.135 0.000 1.006 335 T CA -1.022 61.048 62.100 -0.049 0.000 1.006 335 T CB 0.784 69.420 68.868 -0.387 0.000 1.274 335 T HN -0.173 nan 8.240 nan 0.000 0.569 336 Q N 1.467 121.136 119.800 -0.218 0.000 2.310 336 Q HA 0.257 4.597 4.340 0.000 0.000 0.315 336 Q C 0.215 176.108 176.000 -0.177 0.000 1.081 336 Q CA 0.373 55.912 55.803 -0.440 0.000 0.981 336 Q CB 0.216 28.914 28.738 -0.067 0.000 1.184 336 Q HN 0.690 nan 8.270 nan 0.000 0.389 337 S N 3.078 118.708 115.700 -0.117 0.000 2.443 337 S HA 0.088 4.558 4.470 0.000 0.000 0.284 337 S C -0.259 174.246 174.600 -0.158 0.000 1.206 337 S CA -0.432 57.672 58.200 -0.160 0.000 1.074 337 S CB -0.212 62.786 63.200 -0.337 0.000 0.963 337 S HN 0.560 nan 8.310 nan 0.000 0.501 338 N N 3.367 121.914 118.700 -0.255 0.000 2.513 338 N HA 0.189 4.929 4.740 0.000 0.000 0.268 338 N C 0.014 175.364 175.510 -0.268 0.000 1.180 338 N CA -0.002 52.795 53.050 -0.421 0.000 0.948 338 N CB 1.000 38.897 38.487 -0.984 0.000 1.083 338 N HN 0.528 nan 8.380 nan 0.000 0.455 339 T N 0.170 114.694 114.554 -0.049 0.000 2.693 339 T HA 0.574 4.924 4.350 0.000 0.000 0.278 339 T C -0.703 174.141 174.700 0.241 0.000 0.994 339 T CA -0.499 61.681 62.100 0.134 0.000 1.033 339 T CB 0.917 69.866 68.868 0.136 0.000 1.342 339 T HN 0.502 nan 8.240 nan 0.000 0.538 340 A N 0.952 123.957 122.820 0.308 0.000 2.555 340 A HA 0.491 4.811 4.320 0.000 0.000 0.233 340 A C -0.567 177.297 177.584 0.466 0.000 1.060 340 A CA 0.366 52.669 52.037 0.443 0.000 0.759 340 A CB -0.625 18.709 19.000 0.556 0.000 0.995 340 A HN 0.752 nan 8.150 nan 0.000 0.506 341 F N 0.823 120.911 119.950 0.230 0.000 2.623 341 F HA 0.375 4.902 4.527 -0.000 0.000 0.323 341 F C 0.470 176.189 175.800 -0.136 0.000 1.158 341 F CA -1.005 57.035 58.000 0.066 0.000 1.030 341 F CB 1.224 40.070 39.000 -0.258 0.000 1.280 341 F HN 0.781 nan 8.300 nan 0.000 0.474 342 R N 3.796 124.493 120.500 0.329 0.000 4.509 342 R HA -0.039 4.301 4.340 0.000 0.000 0.132 342 R C 0.891 176.955 176.300 -0.392 0.000 0.287 342 R CA 1.956 58.048 56.100 -0.013 0.000 0.855 342 R CB -0.823 29.490 30.300 0.020 0.000 1.022 342 R HN 1.137 nan 8.270 nan 0.000 0.241 343 G N 3.259 111.943 108.800 -0.194 0.000 2.428 343 G HA2 -0.288 3.672 3.960 0.000 0.000 0.199 343 G HA3 -0.288 3.672 3.960 0.000 0.000 0.199 343 G C 0.226 175.166 174.900 0.067 0.000 1.005 343 G CA -0.156 44.804 45.100 -0.233 0.000 0.671 343 G HN 0.711 nan 8.290 nan 0.000 0.485 344 F N 0.796 120.692 119.950 -0.090 0.000 2.943 344 F HA 0.039 4.566 4.527 0.000 0.000 0.258 344 F C 1.801 177.582 175.800 -0.031 0.000 0.995 344 F CA 2.624 60.624 58.000 -0.001 0.000 0.896 344 F CB -0.980 38.050 39.000 0.050 0.000 0.821 344 F HN 2.005 nan 8.300 nan 0.000 0.828 345 G N -0.500 108.186 108.800 -0.190 0.000 2.299 345 G HA2 -0.288 3.672 3.960 0.000 0.000 0.237 345 G HA3 -0.288 3.672 3.960 0.000 0.000 0.237 345 G C 1.668 176.423 174.900 -0.242 0.000 1.027 345 G CA 0.777 45.731 45.100 -0.243 0.000 0.619 345 G HN 1.557 nan 8.290 nan 0.000 0.513 346 G N 2.015 110.717 108.800 -0.164 0.000 2.529 346 G HA2 -0.037 3.923 3.960 0.000 0.000 0.219 346 G HA3 -0.037 3.923 3.960 0.000 0.000 0.219 346 G C 0.133 174.992 174.900 -0.068 0.000 1.177 346 G CA 2.119 47.112 45.100 -0.179 0.000 0.773 346 G HN 0.560 nan 8.290 nan 0.000 0.573 347 P HA -0.126 nan 4.420 nan 0.000 0.216 347 P C 1.801 179.149 177.300 0.080 0.000 1.150 347 P CA 1.446 64.565 63.100 0.032 0.000 0.843 347 P CB -0.011 31.616 31.700 -0.121 0.000 0.787 348 Q N -0.705 119.004 119.800 -0.152 0.000 2.002 348 Q HA -0.088 4.252 4.340 0.000 0.000 0.204 348 Q C 2.478 178.250 176.000 -0.379 0.000 0.988 348 Q CA 2.200 57.781 55.803 -0.370 0.000 0.843 348 Q CB -1.754 26.328 28.738 -1.093 0.000 0.908 348 Q HN 0.234 nan 8.270 nan 0.000 0.420 349 G N 0.028 108.613 108.800 -0.358 0.000 2.469 349 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 349 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 349 G C 1.448 176.327 174.900 -0.035 0.000 1.150 349 G CA 1.157 46.144 45.100 -0.189 0.000 0.763 349 G HN 0.463 nan 8.290 nan 0.000 0.561 350 A N 0.295 123.159 122.820 0.073 0.000 1.872 350 A HA 0.142 4.462 4.320 0.000 0.000 0.214 350 A C 2.344 180.014 177.584 0.143 0.000 1.187 350 A CA 1.532 53.657 52.037 0.147 0.000 0.614 350 A CB -0.527 18.593 19.000 0.198 0.000 0.826 350 A HN 0.389 nan 8.150 nan 0.000 0.442 351 L N 0.407 121.721 121.223 0.151 0.000 2.079 351 L HA -0.102 4.238 4.340 0.000 0.000 0.210 351 L C 2.394 179.429 176.870 0.276 0.000 1.081 351 L CA 2.098 57.064 54.840 0.211 0.000 0.752 351 L CB -0.949 41.239 42.059 0.215 0.000 0.896 351 L HN 0.349 nan 8.230 nan 0.000 0.433 352 G N -0.996 107.924 108.800 0.199 0.000 2.440 352 G HA2 -0.357 3.603 3.960 0.000 0.000 0.218 352 G HA3 -0.357 3.603 3.960 0.000 0.000 0.218 352 G C 1.540 176.544 174.900 0.174 0.000 1.154 352 G CA 1.099 46.342 45.100 0.238 0.000 0.767 352 G HN 0.397 nan 8.290 nan 0.000 0.552 353 M N 0.548 120.186 119.600 0.063 0.000 2.200 353 M HA 0.139 4.619 4.480 0.000 0.000 0.265 353 M C 2.149 178.567 176.300 0.196 0.000 1.066 353 M CA 1.065 56.511 55.300 0.244 0.000 1.127 353 M CB -0.321 32.443 32.600 0.273 0.000 1.379 353 M HN 0.092 nan 8.290 nan 0.000 0.420 354 E N -0.304 120.003 120.200 0.179 0.000 2.204 354 E HA -0.117 4.233 4.350 0.000 0.000 0.194 354 E C 2.150 178.728 176.600 -0.038 0.000 0.989 354 E CA 0.626 57.109 56.400 0.139 0.000 0.824 354 E CB -0.240 29.573 29.700 0.189 0.000 0.756 354 E HN 0.468 nan 8.360 nan 0.000 0.477 355 R N 0.228 120.621 120.500 -0.180 0.000 2.080 355 R HA 0.107 4.447 4.340 0.000 0.000 0.222 355 R C 2.164 178.092 176.300 -0.619 0.000 1.107 355 R CA 0.912 56.732 56.100 -0.466 0.000 0.980 355 R CB -0.279 29.455 30.300 -0.943 0.000 0.879 355 R HN 0.095 nan 8.270 nan 0.000 0.439 356 A N 0.981 123.393 122.820 -0.681 0.000 1.902 356 A HA -0.164 4.156 4.320 0.000 0.000 0.217 356 A C 2.123 179.598 177.584 -0.182 0.000 1.181 356 A CA 1.237 52.974 52.037 -0.501 0.000 0.623 356 A CB -0.475 18.467 19.000 -0.097 0.000 0.818 356 A HN 0.244 nan 8.150 nan 0.000 0.443 357 I N -0.771 119.700 120.570 -0.165 0.000 2.614 357 I HA -0.143 4.027 4.170 0.000 0.000 0.258 357 I C 2.161 178.196 176.117 -0.138 0.000 1.189 357 I CA 1.643 62.822 61.300 -0.201 0.000 1.462 357 I CB 0.017 37.782 38.000 -0.392 0.000 1.092 357 I HN 0.445 nan 8.210 nan 0.000 0.442 358 E N -0.389 119.747 120.200 -0.106 0.000 2.051 358 E HA -0.260 4.090 4.350 0.000 0.000 0.189 358 E C 2.173 178.781 176.600 0.013 0.000 0.979 358 E CA 1.431 57.812 56.400 -0.032 0.000 0.803 358 E CB -0.265 29.392 29.700 -0.071 0.000 0.761 358 E HN 0.617 nan 8.360 nan 0.000 0.451 359 H N -0.868 118.103 119.070 -0.164 0.000 2.387 359 H HA -0.091 4.465 4.556 0.000 0.000 0.299 359 H C 1.947 177.116 175.328 -0.266 0.000 1.090 359 H CA 1.560 57.359 56.048 -0.416 0.000 1.332 359 H CB 0.008 29.540 29.762 -0.384 0.000 1.386 359 H HN 0.224 nan 8.280 nan 0.000 0.516 360 L N 0.056 121.283 121.223 0.008 0.000 2.056 360 L HA -0.038 4.302 4.340 0.000 0.000 0.207 360 L C 2.479 179.286 176.870 -0.106 0.000 1.078 360 L CA 1.656 56.471 54.840 -0.042 0.000 0.749 360 L CB -0.789 41.231 42.059 -0.064 0.000 0.901 360 L HN 0.376 nan 8.230 nan 0.000 0.433 361 A N -0.412 122.352 122.820 -0.094 0.000 1.877 361 A HA -0.180 4.140 4.320 0.000 0.000 0.216 361 A C 2.303 179.845 177.584 -0.071 0.000 1.186 361 A CA 1.535 53.519 52.037 -0.088 0.000 0.620 361 A CB -0.511 18.458 19.000 -0.051 0.000 0.822 361 A HN 0.421 nan 8.150 nan 0.000 0.443 362 R N -0.531 119.949 120.500 -0.032 0.000 2.092 362 R HA -0.086 4.254 4.340 0.000 0.000 0.231 362 R C 2.335 178.586 176.300 -0.082 0.000 1.119 362 R CA 1.213 57.306 56.100 -0.010 0.000 0.970 362 R CB -1.303 29.067 30.300 0.117 0.000 0.864 362 R HN 0.530 nan 8.270 nan 0.000 0.440 363 G N 2.243 110.957 108.800 -0.143 0.000 2.433 363 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 363 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 363 G C 1.492 176.327 174.900 -0.109 0.000 1.186 363 G CA 0.973 46.000 45.100 -0.121 0.000 0.779 363 G HN 0.441 nan 8.290 nan 0.000 0.543 364 M N -0.276 119.203 119.600 -0.202 0.000 2.505 364 M HA 0.483 4.963 4.480 0.000 0.000 0.230 364 M C 1.213 177.398 176.300 -0.192 0.000 1.153 364 M CA 0.537 55.636 55.300 -0.335 0.000 0.997 364 M CB 0.186 32.251 32.600 -0.891 0.000 1.606 364 M HN 0.310 nan 8.290 nan 0.000 0.481 365 G N 2.173 110.904 108.800 -0.115 0.000 2.314 365 G HA2 -0.215 3.745 3.960 0.000 0.000 0.292 365 G HA3 -0.215 3.745 3.960 0.000 0.000 0.292 365 G C -0.500 174.358 174.900 -0.071 0.000 1.059 365 G CA -0.074 44.983 45.100 -0.071 0.000 0.982 365 G HN 0.601 nan 8.290 nan 0.000 0.505 366 R N -0.351 120.100 120.500 -0.082 0.000 2.750 366 R HA 0.345 4.685 4.340 0.000 0.000 0.281 366 R C -0.773 175.502 176.300 -0.043 0.000 0.972 366 R CA -0.962 55.097 56.100 -0.067 0.000 0.912 366 R CB 1.442 31.686 30.300 -0.093 0.000 1.187 366 R HN 0.318 nan 8.270 nan 0.000 0.464 367 D N 3.700 124.083 120.400 -0.028 0.000 2.363 367 D HA 0.053 4.693 4.640 0.000 0.000 0.263 367 D C -1.221 175.085 176.300 0.010 0.000 1.258 367 D CA -1.435 52.561 54.000 -0.006 0.000 0.907 367 D CB 1.046 41.840 40.800 -0.010 0.000 1.107 367 D HN 0.114 nan 8.370 nan 0.000 0.495 368 P HA -0.295 nan 4.420 nan 0.000 0.218 368 P C 1.047 178.371 177.300 0.041 0.000 1.150 368 P CA 1.592 64.704 63.100 0.021 0.000 0.841 368 P CB 0.032 31.768 31.700 0.061 0.000 0.784 369 A N 0.475 123.366 122.820 0.119 0.000 1.908 369 A HA -0.179 4.141 4.320 0.000 0.000 0.218 369 A C 1.948 179.580 177.584 0.079 0.000 1.181 369 A CA 1.519 53.656 52.037 0.166 0.000 0.627 369 A CB -0.839 18.376 19.000 0.359 0.000 0.818 369 A HN 0.111 nan 8.150 nan 0.000 0.445 370 E N -1.137 119.090 120.200 0.045 0.000 2.437 370 E HA 0.152 4.502 4.350 0.000 0.000 0.189 370 E C 1.015 177.588 176.600 -0.045 0.000 1.054 370 E CA 0.061 56.466 56.400 0.009 0.000 0.874 370 E CB 0.452 30.161 29.700 0.016 0.000 1.011 370 E HN 0.520 nan 8.360 nan 0.000 0.474 371 L N -0.433 120.741 121.223 -0.081 0.000 2.577 371 L HA 0.171 4.511 4.340 0.000 0.000 0.225 371 L C 2.016 178.743 176.870 -0.239 0.000 1.053 371 L CA 0.709 55.465 54.840 -0.141 0.000 0.866 371 L CB 0.272 42.244 42.059 -0.144 0.000 1.132 371 L HN -0.152 nan 8.230 nan 0.000 0.486 372 R N -0.568 119.781 120.500 -0.251 0.000 2.075 372 R HA 0.066 4.406 4.340 0.000 0.000 0.226 372 R C 2.193 177.997 176.300 -0.827 0.000 1.114 372 R CA 1.106 56.966 56.100 -0.401 0.000 0.972 372 R CB -0.478 29.766 30.300 -0.093 0.000 0.869 372 R HN 0.385 nan 8.270 nan 0.000 0.437 373 A N 1.448 124.015 122.820 -0.421 0.000 1.908 373 A HA -0.159 4.161 4.320 0.000 0.000 0.218 373 A C 2.108 179.596 177.584 -0.159 0.000 1.181 373 A CA 1.122 53.042 52.037 -0.194 0.000 0.627 373 A CB -0.507 18.539 19.000 0.077 0.000 0.818 373 A HN 0.314 nan 8.150 nan 0.000 0.445 374 L N -0.975 120.157 121.223 -0.151 0.000 2.291 374 L HA 0.009 4.349 4.340 0.000 0.000 0.214 374 L C 0.430 177.247 176.870 -0.088 0.000 1.120 374 L CA 0.959 55.753 54.840 -0.077 0.000 0.799 374 L CB -0.064 41.958 42.059 -0.061 0.000 0.925 374 L HN 0.276 nan 8.230 nan 0.000 0.446 375 N N -0.440 118.138 118.700 -0.203 0.000 2.535 375 N HA 0.209 4.949 4.740 0.000 0.000 0.294 375 N C -1.086 174.408 175.510 -0.026 0.000 1.408 375 N CA -0.039 52.949 53.050 -0.103 0.000 0.927 375 N CB 0.314 38.709 38.487 -0.154 0.000 1.276 375 N HN 0.138 nan 8.380 nan 0.000 0.505 376 F N -0.124 119.897 119.950 0.118 0.000 2.440 376 F HA 0.361 4.888 4.527 0.000 0.000 0.328 376 F C 0.669 176.461 175.800 -0.013 0.000 1.070 376 F CA -1.211 56.822 58.000 0.054 0.000 1.011 376 F CB 0.894 39.920 39.000 0.044 0.000 1.226 376 F HN 0.038 nan 8.300 nan 0.000 0.491 377 Y N 1.632 122.112 120.300 0.300 0.000 2.717 377 Y HA -0.077 4.473 4.550 -0.000 0.000 0.330 377 Y C 0.702 176.613 175.900 0.018 0.000 1.217 377 Y CA -0.310 57.851 58.100 0.101 0.000 1.506 377 Y CB -0.160 38.326 38.460 0.043 0.000 1.268 377 Y HN 0.399 nan 8.280 nan 0.000 0.561 378 D N 5.665 126.118 120.400 0.088 0.000 2.449 378 D HA 0.004 4.644 4.640 0.000 0.000 0.236 378 D C -2.116 174.185 176.300 0.002 0.000 1.149 378 D CA -0.795 53.219 54.000 0.023 0.000 0.878 378 D CB 0.298 41.079 40.800 -0.032 0.000 1.198 378 D HN 0.282 nan 8.370 nan 0.000 0.446 379 P HA 0.101 nan 4.420 nan 0.000 0.269 379 P C -2.418 174.867 177.300 -0.025 0.000 1.217 379 P CA -0.839 62.233 63.100 -0.047 0.000 0.783 379 P CB -0.600 31.082 31.700 -0.030 0.000 0.898 380 P HA 0.072 nan 4.420 nan 0.000 0.269 380 P C -0.072 177.230 177.300 0.002 0.000 1.217 380 P CA 0.733 63.832 63.100 -0.003 0.000 0.783 380 P CB 0.066 31.771 31.700 0.009 0.000 0.898 399 K N 3.279 123.679 120.400 0.001 0.000 2.319 399 K HA 0.049 4.369 4.320 0.000 0.000 0.277 399 K C -0.890 175.703 176.600 -0.012 0.000 1.111 399 K CA 0.914 57.201 56.287 0.001 0.000 1.093 399 K CB -0.362 32.141 32.500 0.005 0.000 0.910 399 K HN 0.131 nan 8.250 nan 0.000 0.452 400 T N 4.239 118.790 114.554 -0.006 0.000 2.909 400 T HA 0.175 4.525 4.350 0.000 0.000 0.286 400 T C 0.309 175.007 174.700 -0.004 0.000 1.002 400 T CA -0.540 61.551 62.100 -0.014 0.000 1.074 400 T CB 1.094 69.961 68.868 -0.001 0.000 0.984 400 T HN 0.445 nan 8.240 nan 0.000 0.495 401 Q N 1.113 120.899 119.800 -0.023 0.000 2.535 401 Q HA 0.437 4.777 4.340 0.000 0.000 0.228 401 Q C 0.516 176.592 176.000 0.127 0.000 1.062 401 Q CA -0.353 55.481 55.803 0.052 0.000 0.967 401 Q CB 0.404 29.128 28.738 -0.024 0.000 1.273 401 Q HN 0.781 nan 8.270 nan 0.000 0.554 402 T N -2.991 111.715 114.554 0.252 0.000 2.916 402 T HA 0.527 4.878 4.350 0.000 0.000 0.292 402 T C 0.006 174.793 174.700 0.145 0.000 1.064 402 T CA -0.969 61.186 62.100 0.092 0.000 1.011 402 T CB 1.378 70.263 68.868 0.029 0.000 1.152 402 T HN 0.672 nan 8.240 nan 0.000 0.510 403 T N -0.873 113.560 114.554 -0.200 0.000 2.726 403 T HA 0.159 4.509 4.350 0.000 0.000 0.294 403 T C 1.591 176.166 174.700 -0.209 0.000 1.013 403 T CA -0.190 61.748 62.100 -0.271 0.000 0.996 403 T CB 0.068 68.285 68.868 -1.085 0.000 1.016 403 T HN 0.911 nan 8.240 nan 0.000 0.529 404 H N 0.128 119.178 119.070 -0.034 0.000 2.489 404 H HA -0.141 4.415 4.556 0.000 0.000 0.295 404 H C 1.410 176.771 175.328 0.055 0.000 1.082 404 H CA 1.651 57.737 56.048 0.064 0.000 1.295 404 H CB -0.905 28.975 29.762 0.196 0.000 1.380 404 H HN 0.937 nan 8.280 nan 0.000 0.548 405 Y N -0.487 119.500 120.300 -0.521 0.000 2.471 405 Y HA 0.449 4.999 4.550 0.000 0.000 0.286 405 Y C 1.415 177.167 175.900 -0.246 0.000 1.188 405 Y CA -0.379 57.452 58.100 -0.449 0.000 1.286 405 Y CB -0.120 37.959 38.460 -0.635 0.000 1.072 405 Y HN 0.222 nan 8.280 nan 0.000 0.517 406 G N 1.200 109.851 108.800 -0.248 0.000 2.289 406 G HA2 -0.307 3.654 3.960 0.000 0.000 0.280 406 G HA3 -0.307 3.654 3.960 0.000 0.000 0.280 406 G C -0.439 174.371 174.900 -0.150 0.000 1.089 406 G CA 0.316 45.335 45.100 -0.135 0.000 0.939 406 G HN 0.667 nan 8.290 nan 0.000 0.499 407 Q N -0.184 119.444 119.800 -0.287 0.000 2.337 407 Q HA 0.490 4.830 4.340 0.000 0.000 0.270 407 Q C 0.235 176.160 176.000 -0.126 0.000 1.043 407 Q CA -0.812 54.886 55.803 -0.174 0.000 0.794 407 Q CB 1.313 29.962 28.738 -0.149 0.000 1.281 407 Q HN 0.499 nan 8.270 nan 0.000 0.446 408 E N 1.474 121.654 120.200 -0.033 0.000 2.437 408 E HA 0.053 4.403 4.350 0.000 0.000 0.263 408 E C -0.674 175.935 176.600 0.016 0.000 1.030 408 E CA 0.142 56.536 56.400 -0.010 0.000 0.934 408 E CB 0.953 30.664 29.700 0.019 0.000 0.943 408 E HN 0.369 nan 8.360 nan 0.000 0.444 409 V N 2.420 122.297 119.914 -0.061 0.000 2.271 409 V HA 0.189 4.309 4.120 0.000 0.000 0.259 409 V C 0.580 176.680 176.094 0.010 0.000 1.030 409 V CA -0.213 62.038 62.300 -0.082 0.000 0.957 409 V CB 0.620 32.106 31.823 -0.562 0.000 1.186 409 V HN 0.763 nan 8.190 nan 0.000 0.471 410 A N 1.630 124.498 122.820 0.080 0.000 2.259 410 A HA 0.092 4.412 4.320 0.000 0.000 0.208 410 A C 1.265 178.898 177.584 0.080 0.000 1.201 410 A CA 0.829 52.903 52.037 0.061 0.000 0.824 410 A CB -0.125 18.910 19.000 0.058 0.000 0.838 410 A HN 0.738 nan 8.150 nan 0.000 0.485 411 D N -2.113 118.372 120.400 0.142 0.000 2.513 411 D HA 0.070 4.710 4.640 0.000 0.000 0.222 411 D C 0.102 176.428 176.300 0.044 0.000 1.210 411 D CA -0.370 53.732 54.000 0.171 0.000 0.825 411 D CB -1.397 39.586 40.800 0.305 0.000 1.037 411 D HN 0.116 nan 8.370 nan 0.000 0.506 412 C N 2.152 121.370 119.300 -0.138 0.000 2.610 412 C HA 0.319 4.779 4.460 0.000 0.000 0.382 412 C C 1.540 176.154 174.990 -0.626 0.000 1.287 412 C CA -0.349 58.285 59.018 -0.640 0.000 1.640 412 C CB -1.071 26.488 27.740 -0.303 0.000 2.335 412 C HN 0.317 nan 8.230 nan 0.000 0.577 413 V N 5.187 124.546 119.914 -0.927 0.000 3.271 413 V HA 0.202 4.322 4.120 0.000 0.000 0.327 413 V C 1.416 177.054 176.094 -0.760 0.000 1.389 413 V CA 0.438 62.385 62.300 -0.590 0.000 1.156 413 V CB -0.854 30.768 31.823 -0.335 0.000 1.103 413 V HN 0.847 nan 8.190 nan 0.000 0.453 414 L N 1.399 122.116 121.223 -0.844 0.000 2.131 414 L HA 0.025 4.365 4.340 0.000 0.000 0.210 414 L C 2.717 179.213 176.870 -0.623 0.000 1.092 414 L CA 1.844 56.200 54.840 -0.806 0.000 0.759 414 L CB -0.802 40.609 42.059 -1.080 0.000 0.903 414 L HN 0.533 nan 8.230 nan 0.000 0.435 415 G N -0.149 108.397 108.800 -0.423 0.000 2.679 415 G HA2 -0.330 3.630 3.960 0.000 0.000 0.217 415 G HA3 -0.330 3.630 3.960 0.000 0.000 0.217 415 G C 1.359 176.180 174.900 -0.133 0.000 1.267 415 G CA 1.064 46.065 45.100 -0.166 0.000 0.799 415 G HN 0.393 nan 8.290 nan 0.000 0.606 416 E N -0.155 119.965 120.200 -0.134 0.000 2.031 416 E HA -0.059 4.292 4.350 0.000 0.000 0.193 416 E C 2.518 179.019 176.600 -0.165 0.000 0.994 416 E CA 0.729 57.107 56.400 -0.037 0.000 0.800 416 E CB -0.310 29.498 29.700 0.180 0.000 0.752 416 E HN 0.349 nan 8.360 nan 0.000 0.447 417 L N 0.819 121.693 121.223 -0.582 0.000 2.034 417 L HA -0.288 4.052 4.340 0.000 0.000 0.217 417 L C 2.275 178.971 176.870 -0.291 0.000 1.077 417 L CA 1.335 55.739 54.840 -0.726 0.000 0.769 417 L CB -0.145 41.263 42.059 -1.085 0.000 0.890 417 L HN 0.055 nan 8.230 nan 0.000 0.435 418 V N -1.013 118.758 119.914 -0.239 0.000 2.453 418 V HA -0.228 3.892 4.120 0.000 0.000 0.247 418 V C 2.417 178.494 176.094 -0.029 0.000 1.048 418 V CA 2.108 64.344 62.300 -0.106 0.000 1.049 418 V CB -0.633 31.174 31.823 -0.027 0.000 0.672 418 V HN 0.541 nan 8.190 nan 0.000 0.457 419 T N -0.452 114.101 114.554 -0.001 0.000 2.867 419 T HA -0.175 4.175 4.350 0.000 0.000 0.268 419 T C 2.004 176.737 174.700 0.054 0.000 1.057 419 T CA 1.249 63.376 62.100 0.046 0.000 1.136 419 T CB -0.179 68.724 68.868 0.058 0.000 0.874 419 T HN 0.355 nan 8.240 nan 0.000 0.466 420 R N 0.268 120.802 120.500 0.056 0.000 2.119 420 R HA 0.082 4.422 4.340 0.000 0.000 0.222 420 R C 2.312 178.652 176.300 0.067 0.000 1.088 420 R CA 0.666 56.823 56.100 0.094 0.000 0.984 420 R CB -0.291 30.123 30.300 0.190 0.000 0.884 420 R HN 0.298 nan 8.270 nan 0.000 0.447 421 L N 1.184 122.421 121.223 0.024 0.000 2.044 421 L HA -0.123 4.217 4.340 0.000 0.000 0.205 421 L C 2.108 178.970 176.870 -0.013 0.000 1.075 421 L CA 1.711 56.549 54.840 -0.004 0.000 0.747 421 L CB -0.264 41.763 42.059 -0.054 0.000 0.903 421 L HN 0.151 nan 8.230 nan 0.000 0.435 422 Q N -0.670 119.120 119.800 -0.016 0.000 2.084 422 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 422 Q C 2.221 178.295 176.000 0.123 0.000 0.978 422 Q CA 1.856 57.686 55.803 0.044 0.000 0.844 422 Q CB -0.050 28.754 28.738 0.110 0.000 0.898 422 Q HN 0.334 nan 8.270 nan 0.000 0.426 423 K N 0.217 120.672 120.400 0.093 0.000 2.025 423 K HA -0.111 4.209 4.320 0.000 0.000 0.207 423 K C 2.291 178.934 176.600 0.072 0.000 1.049 423 K CA 1.574 57.912 56.287 0.085 0.000 0.933 423 K CB -0.251 32.293 32.500 0.072 0.000 0.714 423 K HN 0.222 nan 8.250 nan 0.000 0.438 424 S N 0.130 115.868 115.700 0.062 0.000 2.382 424 S HA -0.095 4.375 4.470 0.000 0.000 0.228 424 S C 2.086 176.716 174.600 0.050 0.000 1.027 424 S CA 1.062 59.294 58.200 0.053 0.000 0.991 424 S CB -0.300 62.932 63.200 0.053 0.000 0.823 424 S HN 0.230 nan 8.310 nan 0.000 0.469 425 A N 1.324 124.175 122.820 0.052 0.000 2.208 425 A HA 0.295 4.615 4.320 0.000 0.000 0.209 425 A C 0.909 178.548 177.584 0.091 0.000 1.161 425 A CA 0.480 52.549 52.037 0.054 0.000 0.782 425 A CB -0.912 18.103 19.000 0.025 0.000 0.816 425 A HN 0.739 nan 8.150 nan 0.000 0.477 426 N N -2.303 116.459 118.700 0.104 0.000 2.699 426 N HA -0.222 4.518 4.740 0.000 0.000 0.257 426 N C -0.123 175.486 175.510 0.166 0.000 1.077 426 N CA 0.796 53.910 53.050 0.106 0.000 0.702 426 N CB -2.069 36.455 38.487 0.062 0.000 0.886 426 N HN 0.340 nan 8.380 nan 0.000 0.549 427 F N 0.781 120.737 119.950 0.009 0.000 2.074 427 F HA 0.022 4.549 4.527 -0.000 0.000 0.293 427 F C 2.263 178.066 175.800 0.006 0.000 1.116 427 F CA 2.098 60.103 58.000 0.008 0.000 1.212 427 F CB -0.832 38.179 39.000 0.018 0.000 0.998 427 F HN 0.338 nan 8.300 nan 0.000 0.471 428 T N -0.574 113.937 114.554 -0.071 0.000 2.867 428 T HA -0.134 4.216 4.350 0.000 0.000 0.268 428 T C 1.818 176.436 174.700 -0.136 0.000 1.057 428 T CA 1.843 63.830 62.100 -0.189 0.000 1.136 428 T CB -0.670 68.157 68.868 -0.069 0.000 0.874 428 T HN 0.296 nan 8.240 nan 0.000 0.466 429 T N 2.085 116.603 114.554 -0.060 0.000 2.698 429 T HA -0.012 4.338 4.350 0.000 0.000 0.260 429 T C 2.122 176.790 174.700 -0.054 0.000 1.044 429 T CA 0.626 62.702 62.100 -0.041 0.000 1.149 429 T CB -0.176 68.687 68.868 -0.008 0.000 0.864 429 T HN 0.287 nan 8.240 nan 0.000 0.419 430 R N 0.769 121.244 120.500 -0.041 0.000 2.091 430 R HA -0.060 4.280 4.340 0.000 0.000 0.238 430 R C 2.722 178.969 176.300 -0.088 0.000 1.136 430 R CA 1.384 57.459 56.100 -0.042 0.000 0.959 430 R CB -0.308 29.994 30.300 0.004 0.000 0.856 430 R HN 0.311 nan 8.270 nan 0.000 0.437 431 R N 0.499 120.891 120.500 -0.180 0.000 2.096 431 R HA -0.127 4.213 4.340 0.000 0.000 0.235 431 R C 2.119 178.331 176.300 -0.148 0.000 1.127 431 R CA 1.617 57.571 56.100 -0.242 0.000 0.968 431 R CB -0.178 29.807 30.300 -0.525 0.000 0.861 431 R HN 0.230 nan 8.270 nan 0.000 0.440 432 A N 0.230 122.977 122.820 -0.122 0.000 1.929 432 A HA -0.122 4.198 4.320 0.000 0.000 0.216 432 A C 1.932 179.499 177.584 -0.029 0.000 1.176 432 A CA 1.329 53.324 52.037 -0.070 0.000 0.628 432 A CB -0.378 18.585 19.000 -0.061 0.000 0.816 432 A HN 0.463 nan 8.150 nan 0.000 0.444 433 E N -0.197 119.988 120.200 -0.025 0.000 2.118 433 E HA -0.172 4.178 4.350 0.000 0.000 0.195 433 E C 1.697 178.327 176.600 0.050 0.000 0.992 433 E CA 1.352 57.757 56.400 0.008 0.000 0.804 433 E CB -0.248 29.445 29.700 -0.011 0.000 0.741 433 E HN 0.701 nan 8.360 nan 0.000 0.458 434 I N 0.200 120.781 120.570 0.019 0.000 2.394 434 I HA -0.246 3.924 4.170 0.000 0.000 0.251 434 I C 2.341 178.531 176.117 0.122 0.000 1.136 434 I CA 0.733 62.072 61.300 0.065 0.000 1.425 434 I CB -0.230 37.764 38.000 -0.010 0.000 1.079 434 I HN 0.151 nan 8.210 nan 0.000 0.425 435 A N 0.918 123.769 122.820 0.051 0.000 1.865 435 A HA -0.238 4.082 4.320 0.000 0.000 0.217 435 A C 2.552 180.169 177.584 0.054 0.000 1.191 435 A CA 2.118 54.176 52.037 0.035 0.000 0.623 435 A CB -0.979 18.020 19.000 -0.002 0.000 0.826 435 A HN 0.421 nan 8.150 nan 0.000 0.444 436 A N -2.216 120.641 122.820 0.063 0.000 1.933 436 A HA -0.165 4.155 4.320 0.000 0.000 0.218 436 A C 1.992 179.629 177.584 0.088 0.000 1.175 436 A CA 1.500 53.571 52.037 0.057 0.000 0.628 436 A CB -0.817 18.215 19.000 0.054 0.000 0.814 436 A HN 0.841 nan 8.150 nan 0.000 0.444 437 W N 0.934 122.215 121.300 -0.032 0.000 2.436 437 W HA -0.069 4.591 4.660 0.000 0.000 0.284 437 W C 1.612 178.111 176.519 -0.033 0.000 1.225 437 W CA 1.452 58.779 57.345 -0.029 0.000 1.271 437 W CB 0.035 29.478 29.460 -0.028 0.000 1.114 437 W HN 0.327 nan 8.180 nan 0.000 0.559 438 N N -0.300 118.511 118.700 0.185 0.000 2.300 438 N HA -0.129 4.611 4.740 0.000 0.000 0.179 438 N C 1.809 177.270 175.510 -0.082 0.000 1.016 438 N CA 1.812 54.898 53.050 0.059 0.000 0.876 438 N CB -0.701 37.850 38.487 0.105 0.000 0.979 438 N HN 0.188 nan 8.380 nan 0.000 0.432 439 S N -1.829 113.828 115.700 -0.071 0.000 2.527 439 S HA 0.034 4.504 4.470 0.000 0.000 0.222 439 S C 1.669 176.185 174.600 -0.139 0.000 0.985 439 S CA 0.567 58.714 58.200 -0.089 0.000 0.921 439 S CB -0.018 63.150 63.200 -0.054 0.000 0.772 439 S HN 0.126 nan 8.310 nan 0.000 0.529 440 T N 1.536 115.961 114.554 -0.215 0.000 3.086 440 T HA 0.334 4.684 4.350 0.000 0.000 0.250 440 T C -0.078 174.390 174.700 -0.387 0.000 1.074 440 T CA -0.187 61.752 62.100 -0.269 0.000 0.988 440 T CB -0.404 68.308 68.868 -0.259 0.000 0.988 440 T HN 0.482 nan 8.240 nan 0.000 0.530 441 N N -0.334 118.105 118.700 -0.436 0.000 2.405 441 N HA 0.531 5.271 4.740 0.000 0.000 0.285 441 N C 0.655 176.013 175.510 -0.254 0.000 1.262 441 N CA -0.865 51.916 53.050 -0.447 0.000 0.773 441 N CB 1.586 39.586 38.487 -0.811 0.000 1.490 441 N HN 0.099 nan 8.380 nan 0.000 0.486 442 R N -1.504 118.882 120.500 -0.190 0.000 2.635 442 R HA 0.264 4.604 4.340 0.000 0.000 0.241 442 R C 0.120 176.372 176.300 -0.080 0.000 0.941 442 R CA -0.029 56.003 56.100 -0.114 0.000 1.014 442 R CB 0.102 30.345 30.300 -0.094 0.000 1.517 442 R HN 0.348 nan 8.270 nan 0.000 0.594 443 T N 1.098 115.603 114.554 -0.081 0.000 3.023 443 T HA 0.386 4.736 4.350 0.000 0.000 0.249 443 T C 0.449 175.141 174.700 -0.013 0.000 1.050 443 T CA 0.259 62.334 62.100 -0.042 0.000 1.088 443 T CB 0.272 69.119 68.868 -0.035 0.000 0.946 443 T HN -0.027 nan 8.240 nan 0.000 0.480 444 L N 1.008 122.221 121.223 -0.017 0.000 2.342 444 L HA 0.821 5.161 4.340 0.000 0.000 0.271 444 L C -0.787 176.171 176.870 0.147 0.000 1.008 444 L CA -1.208 53.694 54.840 0.103 0.000 0.818 444 L CB 1.857 44.065 42.059 0.248 0.000 1.296 444 L HN 0.017 nan 8.230 nan 0.000 0.427 445 A N 2.528 125.506 122.820 0.263 0.000 2.429 445 A HA 0.625 4.945 4.320 0.000 0.000 0.289 445 A C -0.869 176.860 177.584 0.241 0.000 1.043 445 A CA -0.655 51.550 52.037 0.279 0.000 0.722 445 A CB 1.261 20.315 19.000 0.089 0.000 1.243 445 A HN 0.745 nan 8.150 nan 0.000 0.415 446 R N 0.545 121.213 120.500 0.279 0.000 2.560 446 R HA 0.629 4.969 4.340 0.000 0.000 0.270 446 R C 0.313 176.604 176.300 -0.014 0.000 1.074 446 R CA 0.247 56.348 56.100 0.001 0.000 1.140 446 R CB 1.582 31.764 30.300 -0.198 0.000 1.073 446 R HN 0.878 nan 8.270 nan 0.000 0.527 447 G N 1.403 110.168 108.800 -0.059 0.000 2.719 447 G HA2 0.565 4.525 3.960 0.000 0.000 0.298 447 G HA3 0.565 4.525 3.960 0.000 0.000 0.298 447 G C -1.592 173.286 174.900 -0.036 0.000 1.411 447 G CA -0.467 44.599 45.100 -0.056 0.000 0.991 447 G HN 0.496 nan 8.290 nan 0.000 0.509 448 I N 0.706 121.275 120.570 -0.001 0.000 2.828 448 I HA 0.862 5.032 4.170 0.000 0.000 0.302 448 I C -0.442 175.757 176.117 0.136 0.000 1.101 448 I CA -0.947 60.397 61.300 0.074 0.000 1.031 448 I CB 2.264 40.330 38.000 0.110 0.000 1.231 448 I HN 0.870 nan 8.210 nan 0.000 0.427 449 A N 6.361 129.289 122.820 0.181 0.000 2.605 449 A HA 0.598 4.918 4.320 0.000 0.000 0.294 449 A C -2.251 175.383 177.584 0.084 0.000 1.062 449 A CA -0.512 51.638 52.037 0.188 0.000 0.682 449 A CB 1.525 20.598 19.000 0.121 0.000 1.278 449 A HN 0.729 nan 8.150 nan 0.000 0.410 450 L N 1.472 122.706 121.223 0.018 0.000 2.325 450 L HA 0.794 5.134 4.340 0.000 0.000 0.281 450 L C -0.183 176.709 176.870 0.038 0.000 1.004 450 L CA -0.241 54.534 54.840 -0.109 0.000 0.823 450 L CB 1.646 43.477 42.059 -0.381 0.000 1.236 450 L HN 0.783 nan 8.230 nan 0.000 0.415 451 S N 6.546 122.285 115.700 0.066 0.000 2.501 451 S HA 0.762 5.232 4.470 0.000 0.000 0.301 451 S C -2.715 171.962 174.600 0.128 0.000 1.096 451 S CA -1.433 56.847 58.200 0.132 0.000 1.063 451 S CB 1.726 65.013 63.200 0.144 0.000 1.042 451 S HN 0.538 nan 8.310 nan 0.000 0.494 452 P HA 0.515 nan 4.420 nan 0.000 0.285 452 P C -1.405 175.959 177.300 0.108 0.000 1.280 452 P CA -0.722 62.455 63.100 0.127 0.000 0.862 452 P CB 1.350 33.170 31.700 0.199 0.000 1.153 453 V N 1.569 121.536 119.914 0.088 0.000 2.540 453 V HA 0.462 4.582 4.120 0.000 0.000 0.302 453 V C 0.089 176.224 176.094 0.067 0.000 1.035 453 V CA -0.468 61.897 62.300 0.109 0.000 0.873 453 V CB 1.697 33.612 31.823 0.153 0.000 0.992 453 V HN 0.558 nan 8.190 nan 0.000 0.428 454 K N 4.564 125.000 120.400 0.060 0.000 2.502 454 K HA 0.577 4.897 4.320 0.000 0.000 0.254 454 K C -2.184 174.479 176.600 0.106 0.000 0.947 454 K CA -0.470 55.763 56.287 -0.090 0.000 0.834 454 K CB 1.461 33.919 32.500 -0.070 0.000 1.112 454 K HN 0.535 nan 8.250 nan 0.000 0.427 455 F N 2.901 122.779 119.950 -0.119 0.000 2.539 455 F HA 0.453 4.980 4.527 -0.000 0.000 0.328 455 F C -0.030 175.671 175.800 -0.166 0.000 1.148 455 F CA -0.478 57.528 58.000 0.010 0.000 0.940 455 F CB 1.661 40.664 39.000 0.006 0.000 1.194 455 F HN 0.628 nan 8.300 nan 0.000 0.438 456 G N 6.224 114.503 108.800 -0.867 0.000 2.442 456 G HA2 0.441 4.401 3.960 0.000 0.000 0.249 456 G HA3 0.441 4.401 3.960 0.000 0.000 0.249 456 G C -0.812 173.060 174.900 -1.713 0.000 1.263 456 G CA -0.436 43.630 45.100 -1.725 0.000 0.846 456 G HN 0.493 nan 8.290 nan 0.000 0.555 457 I N 1.142 120.975 120.570 -1.228 0.000 2.362 457 I HA 0.625 4.795 4.170 0.000 0.000 0.289 457 I C 0.303 176.143 176.117 -0.461 0.000 0.994 457 I CA -0.235 60.570 61.300 -0.826 0.000 1.158 457 I CB 0.501 37.904 38.000 -0.995 0.000 1.315 457 I HN 0.573 nan 8.210 nan 0.000 0.451 458 S N 4.679 120.214 115.700 -0.275 0.000 2.655 458 S HA 0.283 4.753 4.470 0.000 0.000 0.275 458 S C -1.362 173.159 174.600 -0.132 0.000 0.899 458 S CA -0.761 57.359 58.200 -0.133 0.000 1.080 458 S CB 0.071 63.275 63.200 0.006 0.000 1.359 458 S HN 0.296 nan 8.310 nan 0.000 0.453 459 F N 2.464 122.396 119.950 -0.030 0.000 2.456 459 F HA 0.213 4.740 4.527 0.000 0.000 0.358 459 F C 2.184 178.006 175.800 0.036 0.000 1.095 459 F CA 0.769 58.745 58.000 -0.040 0.000 1.216 459 F CB 1.418 40.365 39.000 -0.089 0.000 1.125 459 F HN 0.813 nan 8.300 nan 0.000 0.549 460 T N 0.807 115.557 114.554 0.326 0.000 2.674 460 T HA -0.147 4.203 4.350 0.000 0.000 0.265 460 T C 0.774 175.746 174.700 0.455 0.000 1.039 460 T CA 0.758 63.079 62.100 0.368 0.000 1.150 460 T CB -0.458 68.666 68.868 0.426 0.000 0.864 460 T HN 0.287 nan 8.240 nan 0.000 0.427 461 L N 3.642 125.042 121.223 0.294 0.000 2.404 461 L HA 0.307 4.647 4.340 0.000 0.000 0.277 461 L C 2.018 178.949 176.870 0.102 0.000 1.184 461 L CA -0.070 54.878 54.840 0.181 0.000 1.013 461 L CB -0.405 41.710 42.059 0.093 0.000 1.318 461 L HN 0.404 nan 8.230 nan 0.000 0.435 462 T N -2.426 112.251 114.554 0.206 0.000 2.737 462 T HA -0.309 4.041 4.350 0.000 0.000 0.269 462 T C 1.776 176.513 174.700 0.062 0.000 1.040 462 T CA 1.745 63.945 62.100 0.166 0.000 1.142 462 T CB -0.647 68.336 68.868 0.192 0.000 0.861 462 T HN 0.738 nan 8.240 nan 0.000 0.456 463 H N 1.176 120.254 119.070 0.014 0.000 2.557 463 H HA 0.049 4.605 4.556 0.000 0.000 0.287 463 H C 1.860 177.151 175.328 -0.062 0.000 1.043 463 H CA 0.652 56.689 56.048 -0.017 0.000 1.226 463 H CB -0.530 29.216 29.762 -0.026 0.000 1.361 463 H HN 0.339 nan 8.280 nan 0.000 0.592 464 L N 0.820 121.675 121.223 -0.613 0.000 2.395 464 L HA -0.018 4.322 4.340 0.000 0.000 0.218 464 L C 0.500 177.195 176.870 -0.292 0.000 1.130 464 L CA 0.355 54.777 54.840 -0.696 0.000 0.826 464 L CB -0.475 40.798 42.059 -1.311 0.000 0.941 464 L HN 0.211 nan 8.230 nan 0.000 0.451 465 N N 2.748 121.440 118.700 -0.014 0.000 2.892 465 N HA 0.023 4.763 4.740 0.000 0.000 0.300 465 N C -0.133 175.358 175.510 -0.033 0.000 1.211 465 N CA 0.272 53.395 53.050 0.122 0.000 1.158 465 N CB 0.076 38.629 38.487 0.111 0.000 1.455 465 N HN 0.550 nan 8.380 nan 0.000 0.524 466 Q N -0.703 119.067 119.800 -0.050 0.000 2.456 466 Q HA 0.863 5.203 4.340 0.000 0.000 0.284 466 Q C -1.633 174.271 176.000 -0.160 0.000 1.061 466 Q CA -1.322 54.363 55.803 -0.196 0.000 0.799 466 Q CB 2.149 30.858 28.738 -0.048 0.000 1.445 466 Q HN 0.118 nan 8.270 nan 0.000 0.411 467 A N 0.299 122.906 122.820 -0.354 0.000 2.604 467 A HA 0.927 5.247 4.320 0.000 0.000 0.295 467 A C -1.077 176.425 177.584 -0.137 0.000 1.067 467 A CA -0.155 51.805 52.037 -0.129 0.000 0.683 467 A CB 1.968 20.968 19.000 -0.000 0.000 1.281 467 A HN 0.948 nan 8.150 nan 0.000 0.407 468 G N -0.769 108.072 108.800 0.069 0.000 2.612 468 G HA2 0.895 4.855 3.960 0.000 0.000 0.298 468 G HA3 0.895 4.855 3.960 0.000 0.000 0.298 468 G C -0.720 174.272 174.900 0.154 0.000 1.336 468 G CA 0.073 45.272 45.100 0.166 0.000 0.953 468 G HN 1.983 nan 8.290 nan 0.000 0.482 469 A N -0.017 122.892 122.820 0.148 0.000 2.539 469 A HA 0.806 5.126 4.320 0.000 0.000 0.296 469 A C -1.892 175.750 177.584 0.097 0.000 1.073 469 A CA -0.631 51.486 52.037 0.133 0.000 0.700 469 A CB 2.158 21.222 19.000 0.107 0.000 1.296 469 A HN 1.544 nan 8.150 nan 0.000 0.405 470 L N 1.931 123.200 121.223 0.076 0.000 2.446 470 L HA 0.673 5.013 4.340 0.000 0.000 0.268 470 L C -1.521 175.359 176.870 0.017 0.000 0.975 470 L CA -0.287 54.578 54.840 0.042 0.000 0.848 470 L CB 1.762 43.843 42.059 0.037 0.000 1.225 470 L HN 0.441 nan 8.230 nan 0.000 0.410 471 V N 4.979 124.890 119.914 -0.005 0.000 2.357 471 V HA 0.540 4.660 4.120 0.000 0.000 0.284 471 V C -0.449 175.594 176.094 -0.085 0.000 1.018 471 V CA -0.653 61.627 62.300 -0.033 0.000 0.841 471 V CB 1.376 33.188 31.823 -0.019 0.000 0.991 471 V HN 0.664 nan 8.190 nan 0.000 0.437 472 Q N 4.996 124.702 119.800 -0.157 0.000 2.257 472 Q HA 0.610 4.950 4.340 0.000 0.000 0.255 472 Q C -0.731 175.057 176.000 -0.353 0.000 0.920 472 Q CA -0.311 55.296 55.803 -0.327 0.000 0.927 472 Q CB 2.699 31.104 28.738 -0.555 0.000 1.229 472 Q HN 0.676 nan 8.270 nan 0.000 0.433 473 I N 2.986 123.378 120.570 -0.297 0.000 2.355 473 I HA 0.294 4.464 4.170 0.000 0.000 0.288 473 I C -0.336 175.645 176.117 -0.227 0.000 0.999 473 I CA -0.833 60.364 61.300 -0.172 0.000 1.163 473 I CB 0.527 38.537 38.000 0.016 0.000 1.316 473 I HN 0.479 nan 8.210 nan 0.000 0.454 474 Y N 3.093 123.399 120.300 0.011 0.000 2.289 474 Y HA 0.054 4.604 4.550 0.000 0.000 0.332 474 Y C 2.115 177.978 175.900 -0.062 0.000 1.324 474 Y CA -0.286 57.791 58.100 -0.038 0.000 1.478 474 Y CB 0.741 39.177 38.460 -0.040 0.000 1.378 474 Y HN 0.622 nan 8.280 nan 0.000 0.558 475 T N -2.822 111.755 114.554 0.039 0.000 2.867 475 T HA -0.188 4.162 4.350 0.000 0.000 0.268 475 T C 1.090 175.778 174.700 -0.021 0.000 1.057 475 T CA 1.358 63.389 62.100 -0.114 0.000 1.136 475 T CB -0.321 68.327 68.868 -0.367 0.000 0.874 475 T HN 0.775 nan 8.240 nan 0.000 0.466 476 D N 1.528 121.945 120.400 0.029 0.000 2.347 476 D HA 0.142 4.782 4.640 0.000 0.000 0.215 476 D C 1.692 178.055 176.300 0.104 0.000 0.976 476 D CA 0.869 54.898 54.000 0.048 0.000 0.884 476 D CB -0.724 40.094 40.800 0.030 0.000 0.915 476 D HN 0.636 nan 8.370 nan 0.000 0.526 477 G N 0.125 109.016 108.800 0.151 0.000 2.168 477 G HA2 -0.210 3.750 3.960 0.000 0.000 0.197 477 G HA3 -0.210 3.750 3.960 0.000 0.000 0.197 477 G C 0.172 175.196 174.900 0.207 0.000 0.997 477 G CA 0.208 45.461 45.100 0.254 0.000 0.658 477 G HN 0.753 nan 8.290 nan 0.000 0.513 478 S N -0.231 115.563 115.700 0.157 0.000 2.525 478 S HA 0.777 5.247 4.470 0.000 0.000 0.278 478 S C 0.251 174.945 174.600 0.157 0.000 1.234 478 S CA -0.072 58.203 58.200 0.125 0.000 1.058 478 S CB 2.340 65.604 63.200 0.107 0.000 0.983 478 S HN 1.788 nan 8.310 nan 0.000 0.495 479 V N -0.306 119.656 119.914 0.081 0.000 2.667 479 V HA 0.958 5.078 4.120 0.000 0.000 0.308 479 V C -0.028 176.088 176.094 0.037 0.000 1.048 479 V CA -1.065 61.252 62.300 0.028 0.000 0.928 479 V CB 0.891 32.711 31.823 -0.005 0.000 1.004 479 V HN 1.259 nan 8.190 nan 0.000 0.444 480 A N 4.888 127.702 122.820 -0.010 0.000 2.287 480 A HA 0.811 5.131 4.320 0.000 0.000 0.317 480 A C -0.853 176.722 177.584 -0.015 0.000 1.220 480 A CA -0.566 51.490 52.037 0.032 0.000 0.835 480 A CB 1.129 20.210 19.000 0.135 0.000 1.180 480 A HN 1.503 nan 8.150 nan 0.000 0.500 481 L N 3.172 124.393 121.223 -0.004 0.000 2.296 481 L HA 0.555 4.895 4.340 0.000 0.000 0.286 481 L C -0.472 176.419 176.870 0.036 0.000 1.023 481 L CA -0.179 54.667 54.840 0.010 0.000 0.812 481 L CB 1.162 43.224 42.059 0.004 0.000 1.223 481 L HN 0.736 nan 8.230 nan 0.000 0.421 482 N N 2.762 121.501 118.700 0.064 0.000 2.238 482 N HA 0.522 5.262 4.740 0.000 0.000 0.302 482 N C -1.453 174.159 175.510 0.171 0.000 1.072 482 N CA -0.323 52.772 53.050 0.074 0.000 0.792 482 N CB 1.683 40.185 38.487 0.025 0.000 1.425 482 N HN 0.999 nan 8.380 nan 0.000 0.478 483 H N -1.410 117.675 119.070 0.025 0.000 2.928 483 H HA 0.435 4.991 4.556 0.000 0.000 0.285 483 H C 0.698 176.066 175.328 0.066 0.000 1.438 483 H CA -0.772 55.306 56.048 0.050 0.000 1.176 483 H CB 0.558 30.353 29.762 0.055 0.000 1.864 483 H HN 0.401 nan 8.280 nan 0.000 0.567 484 G N -0.541 108.303 108.800 0.075 0.000 2.464 484 G HA2 0.139 4.099 3.960 0.000 0.000 0.217 484 G HA3 0.139 4.099 3.960 0.000 0.000 0.217 484 G C 0.777 175.650 174.900 -0.046 0.000 1.138 484 G CA 0.125 45.234 45.100 0.015 0.000 0.793 484 G HN 0.846 nan 8.290 nan 0.000 0.539 485 G N 0.708 109.512 108.800 0.006 0.000 2.398 485 G HA2 0.401 4.361 3.960 0.000 0.000 0.246 485 G HA3 0.401 4.361 3.960 0.000 0.000 0.246 485 G C 0.356 175.216 174.900 -0.066 0.000 1.289 485 G CA 0.481 45.614 45.100 0.055 0.000 0.869 485 G HN 0.398 nan 8.290 nan 0.000 0.543 486 T N -0.411 114.114 114.554 -0.049 0.000 2.882 486 T HA 0.478 4.828 4.350 0.000 0.000 0.287 486 T C -0.127 174.485 174.700 -0.147 0.000 0.992 486 T CA -0.768 61.290 62.100 -0.071 0.000 1.076 486 T CB 2.115 70.951 68.868 -0.054 0.000 0.961 486 T HN 0.424 nan 8.240 nan 0.000 0.490 487 E N 2.569 122.650 120.200 -0.198 0.000 2.200 487 E HA 0.407 4.757 4.350 0.000 0.000 0.283 487 E C 0.425 176.975 176.600 -0.083 0.000 1.015 487 E CA -0.664 55.596 56.400 -0.233 0.000 0.819 487 E CB 0.797 30.311 29.700 -0.309 0.000 1.081 487 E HN 0.816 nan 8.360 nan 0.000 0.397 488 M N 1.932 121.464 119.600 -0.113 0.000 2.241 488 M HA 0.495 4.975 4.480 0.000 0.000 0.374 488 M C 0.853 177.047 176.300 -0.177 0.000 0.922 488 M CA 0.186 55.401 55.300 -0.140 0.000 1.031 488 M CB 1.226 33.683 32.600 -0.238 0.000 1.864 488 M HN 0.513 nan 8.290 nan 0.000 0.636 489 G N 1.438 110.136 108.800 -0.170 0.000 2.901 489 G HA2 -0.220 3.740 3.960 0.000 0.000 0.194 489 G HA3 -0.220 3.740 3.960 0.000 0.000 0.194 489 G C 0.942 175.668 174.900 -0.290 0.000 1.020 489 G CA 0.236 45.188 45.100 -0.246 0.000 0.787 489 G HN 0.482 nan 8.290 nan 0.000 0.477 490 Q N 1.867 121.545 119.800 -0.204 0.000 2.515 490 Q HA 0.193 4.533 4.340 0.000 0.000 0.215 490 Q C 1.658 177.593 176.000 -0.109 0.000 0.983 490 Q CA 1.866 57.586 55.803 -0.138 0.000 0.905 490 Q CB -0.694 27.981 28.738 -0.105 0.000 0.961 490 Q HN 1.941 nan 8.270 nan 0.000 0.503 491 G N 1.362 110.074 108.800 -0.147 0.000 2.149 491 G HA2 -0.293 3.667 3.960 0.000 0.000 0.235 491 G HA3 -0.293 3.667 3.960 0.000 0.000 0.235 491 G C 0.336 175.325 174.900 0.148 0.000 1.018 491 G CA 0.352 45.498 45.100 0.076 0.000 0.728 491 G HN 0.413 nan 8.290 nan 0.000 0.508 492 L N 0.107 121.367 121.223 0.062 0.000 2.012 492 L HA 0.012 4.352 4.340 0.000 0.000 0.210 492 L C 2.517 179.468 176.870 0.135 0.000 1.073 492 L CA 2.957 57.824 54.840 0.045 0.000 0.748 492 L CB -0.537 41.513 42.059 -0.015 0.000 0.891 492 L HN 0.396 nan 8.230 nan 0.000 0.431 493 H N -0.079 119.091 119.070 0.167 0.000 2.353 493 H HA -0.014 4.542 4.556 -0.000 0.000 0.300 493 H C 2.217 177.566 175.328 0.035 0.000 1.090 493 H CA 1.222 57.340 56.048 0.116 0.000 1.327 493 H CB -0.831 28.985 29.762 0.089 0.000 1.383 493 H HN 0.506 nan 8.280 nan 0.000 0.508 494 A N 1.613 124.536 122.820 0.172 0.000 1.859 494 A HA -0.256 4.064 4.320 0.000 0.000 0.217 494 A C 2.341 179.954 177.584 0.049 0.000 1.198 494 A CA 2.213 54.302 52.037 0.086 0.000 0.629 494 A CB -0.456 18.614 19.000 0.117 0.000 0.830 494 A HN 0.409 nan 8.150 nan 0.000 0.446 495 K N -1.203 119.229 120.400 0.054 0.000 2.103 495 K HA -0.126 4.194 4.320 0.000 0.000 0.207 495 K C 2.041 178.632 176.600 -0.015 0.000 1.048 495 K CA 1.545 57.840 56.287 0.013 0.000 0.930 495 K CB -0.271 32.240 32.500 0.018 0.000 0.716 495 K HN 0.399 nan 8.250 nan 0.000 0.444 496 M N 0.281 119.863 119.600 -0.029 0.000 2.200 496 M HA -0.076 4.404 4.480 0.000 0.000 0.265 496 M C 2.271 178.532 176.300 -0.065 0.000 1.066 496 M CA 1.169 56.404 55.300 -0.108 0.000 1.127 496 M CB -0.643 31.773 32.600 -0.306 0.000 1.379 496 M HN -0.090 nan 8.290 nan 0.000 0.420 497 V N 0.211 120.106 119.914 -0.031 0.000 2.515 497 V HA -0.239 3.881 4.120 0.000 0.000 0.250 497 V C 2.379 178.447 176.094 -0.043 0.000 1.058 497 V CA 1.427 63.706 62.300 -0.035 0.000 1.064 497 V CB -0.762 31.044 31.823 -0.028 0.000 0.675 497 V HN 0.512 nan 8.190 nan 0.000 0.461 498 Q N -0.649 119.126 119.800 -0.043 0.000 2.079 498 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 498 Q C 2.333 178.285 176.000 -0.080 0.000 0.974 498 Q CA 1.664 57.426 55.803 -0.068 0.000 0.840 498 Q CB -0.102 28.592 28.738 -0.073 0.000 0.898 498 Q HN 0.556 nan 8.270 nan 0.000 0.430 499 V N 0.584 120.479 119.914 -0.033 0.000 2.270 499 V HA -0.259 3.861 4.120 0.000 0.000 0.245 499 V C 2.244 178.367 176.094 0.048 0.000 1.043 499 V CA 1.731 64.067 62.300 0.059 0.000 1.014 499 V CB -1.073 30.824 31.823 0.123 0.000 0.645 499 V HN 0.409 nan 8.190 nan 0.000 0.447 500 A N 0.371 123.191 122.820 -0.001 0.000 1.884 500 A HA -0.264 4.056 4.320 0.000 0.000 0.219 500 A C 2.455 180.021 177.584 -0.031 0.000 1.197 500 A CA 2.780 54.807 52.037 -0.016 0.000 0.637 500 A CB -1.108 17.871 19.000 -0.034 0.000 0.827 500 A HN 0.619 nan 8.150 nan 0.000 0.450 501 A N -0.434 122.354 122.820 -0.053 0.000 1.908 501 A HA 0.085 4.405 4.320 0.000 0.000 0.218 501 A C 2.538 180.089 177.584 -0.056 0.000 1.181 501 A CA 2.539 54.529 52.037 -0.078 0.000 0.627 501 A CB -1.111 17.839 19.000 -0.082 0.000 0.818 501 A HN 1.221 nan 8.150 nan 0.000 0.445 502 A N -0.702 122.094 122.820 -0.040 0.000 1.902 502 A HA 0.028 4.348 4.320 0.000 0.000 0.217 502 A C 2.212 179.840 177.584 0.074 0.000 1.181 502 A CA 1.793 53.818 52.037 -0.021 0.000 0.623 502 A CB -0.852 18.067 19.000 -0.135 0.000 0.818 502 A HN 0.442 nan 8.150 nan 0.000 0.443 503 V N -0.036 119.939 119.914 0.101 0.000 2.427 503 V HA -0.201 3.920 4.120 0.000 0.000 0.248 503 V C 2.488 178.598 176.094 0.027 0.000 1.051 503 V CA 1.760 64.113 62.300 0.089 0.000 1.048 503 V CB -0.749 31.109 31.823 0.058 0.000 0.666 503 V HN 0.535 nan 8.190 nan 0.000 0.456 504 L N 0.199 121.424 121.223 0.002 0.000 2.095 504 L HA 0.246 4.586 4.340 0.000 0.000 0.204 504 L C 1.772 178.698 176.870 0.094 0.000 1.080 504 L CA 1.294 56.135 54.840 0.001 0.000 0.759 504 L CB -0.570 41.451 42.059 -0.064 0.000 0.914 504 L HN 0.557 nan 8.230 nan 0.000 0.439 505 G N 0.855 109.676 108.800 0.035 0.000 2.145 505 G HA2 -0.184 3.776 3.960 0.000 0.000 0.176 505 G HA3 -0.184 3.776 3.960 0.000 0.000 0.176 505 G C 0.062 174.955 174.900 -0.012 0.000 1.013 505 G CA 0.149 45.298 45.100 0.083 0.000 0.689 505 G HN 0.356 nan 8.290 nan 0.000 0.506 506 I N -2.515 117.960 120.570 -0.158 0.000 3.076 506 I HA 0.813 4.983 4.170 0.000 0.000 0.313 506 I C 0.247 176.286 176.117 -0.130 0.000 1.053 506 I CA -1.426 59.736 61.300 -0.231 0.000 1.048 506 I CB 1.112 38.830 38.000 -0.471 0.000 1.264 506 I HN -0.016 nan 8.210 nan 0.000 0.498 507 D N 2.234 122.569 120.400 -0.108 0.000 2.382 507 D HA 0.214 4.854 4.640 0.000 0.000 0.245 507 D C -1.593 174.659 176.300 -0.080 0.000 1.120 507 D CA -1.674 52.282 54.000 -0.073 0.000 0.890 507 D CB 1.122 41.892 40.800 -0.050 0.000 1.201 507 D HN 0.331 nan 8.370 nan 0.000 0.433 508 P HA -0.145 nan 4.420 nan 0.000 0.222 508 P C 1.396 178.663 177.300 -0.054 0.000 1.147 508 P CA 0.516 63.579 63.100 -0.062 0.000 0.790 508 P CB 0.182 31.849 31.700 -0.054 0.000 0.780 509 V N 0.960 120.845 119.914 -0.047 0.000 2.332 509 V HA -0.242 3.878 4.120 0.000 0.000 0.248 509 V C 2.741 178.813 176.094 -0.037 0.000 1.055 509 V CA 1.745 64.021 62.300 -0.039 0.000 1.038 509 V CB -1.253 30.551 31.823 -0.031 0.000 0.651 509 V HN 0.160 nan 8.190 nan 0.000 0.450 510 Q N -0.145 119.627 119.800 -0.046 0.000 2.368 510 Q HA -0.071 4.269 4.340 0.000 0.000 0.210 510 Q C 0.685 176.662 176.000 -0.037 0.000 0.982 510 Q CA 0.791 56.567 55.803 -0.044 0.000 0.884 510 Q CB -0.267 28.419 28.738 -0.086 0.000 0.933 510 Q HN 0.553 nan 8.270 nan 0.000 0.460 511 V N 1.845 121.730 119.914 -0.047 0.000 2.350 511 V HA 0.293 4.413 4.120 0.000 0.000 0.276 511 V C 0.058 176.133 176.094 -0.032 0.000 1.028 511 V CA -0.672 61.604 62.300 -0.039 0.000 0.860 511 V CB 1.271 33.063 31.823 -0.051 0.000 0.990 511 V HN 0.036 nan 8.190 nan 0.000 0.453 512 R N 3.884 124.374 120.500 -0.016 0.000 2.540 512 R HA 0.693 5.033 4.340 0.000 0.000 0.287 512 R C -0.903 175.372 176.300 -0.041 0.000 0.980 512 R CA -0.597 55.488 56.100 -0.026 0.000 0.966 512 R CB 1.519 31.818 30.300 -0.002 0.000 1.106 512 R HN 0.691 nan 8.270 nan 0.000 0.480 513 I N 2.874 123.393 120.570 -0.084 0.000 2.336 513 I HA 0.343 4.513 4.170 0.000 0.000 0.292 513 I C -0.548 175.485 176.117 -0.140 0.000 0.991 513 I CA 0.087 61.297 61.300 -0.149 0.000 1.227 513 I CB 1.614 39.426 38.000 -0.312 0.000 1.366 513 I HN 0.855 nan 8.210 nan 0.000 0.466 514 T N 4.629 119.118 114.554 -0.109 0.000 2.899 514 T HA 0.770 5.120 4.350 0.000 0.000 0.284 514 T C 0.370 174.997 174.700 -0.121 0.000 1.004 514 T CA -0.595 61.457 62.100 -0.080 0.000 1.043 514 T CB 1.116 69.966 68.868 -0.030 0.000 1.013 514 T HN 0.847 nan 8.240 nan 0.000 0.518 515 A N 1.928 124.710 122.820 -0.063 0.000 2.425 515 A HA 0.472 4.792 4.320 0.000 0.000 0.242 515 A C 0.899 178.457 177.584 -0.044 0.000 1.077 515 A CA -0.609 51.409 52.037 -0.031 0.000 0.781 515 A CB -0.626 18.379 19.000 0.008 0.000 1.020 515 A HN 0.904 nan 8.150 nan 0.000 0.494 516 T N 2.039 116.574 114.554 -0.032 0.000 2.934 516 T HA 0.252 4.602 4.350 0.000 0.000 0.306 516 T C -0.280 174.398 174.700 -0.037 0.000 1.042 516 T CA 0.615 62.681 62.100 -0.058 0.000 1.145 516 T CB 0.086 68.928 68.868 -0.044 0.000 0.982 516 T HN 0.618 nan 8.240 nan 0.000 0.544 517 D N 0.949 121.329 120.400 -0.034 0.000 2.970 517 D HA 0.184 4.824 4.640 0.000 0.000 0.230 517 D C 1.037 177.332 176.300 -0.008 0.000 1.276 517 D CA -0.450 53.534 54.000 -0.026 0.000 0.910 517 D CB 1.779 42.567 40.800 -0.021 0.000 1.590 517 D HN 0.515 nan 8.370 nan 0.000 0.551 518 T N -0.765 113.783 114.554 -0.010 0.000 3.007 518 T HA -0.098 4.252 4.350 0.000 0.000 0.270 518 T C 1.473 176.189 174.700 0.025 0.000 1.107 518 T CA 1.067 63.175 62.100 0.013 0.000 1.118 518 T CB -0.051 68.819 68.868 0.003 0.000 0.889 518 T HN 0.275 nan 8.240 nan 0.000 0.506 519 S N -0.545 115.162 115.700 0.012 0.000 2.540 519 S HA 0.362 4.832 4.470 0.000 0.000 0.218 519 S C 1.452 176.066 174.600 0.022 0.000 0.977 519 S CA -0.535 57.677 58.200 0.020 0.000 0.918 519 S CB 0.185 63.391 63.200 0.009 0.000 0.806 519 S HN 0.325 nan 8.310 nan 0.000 0.496 520 K N 0.760 121.173 120.400 0.020 0.000 2.216 520 K HA 0.391 4.711 4.320 0.000 0.000 0.207 520 K C -0.280 176.344 176.600 0.040 0.000 1.041 520 K CA 0.504 56.806 56.287 0.025 0.000 0.966 520 K CB 0.412 32.922 32.500 0.016 0.000 0.955 520 K HN 0.173 nan 8.250 nan 0.000 0.468 521 V N 3.978 123.918 119.914 0.044 0.000 2.376 521 V HA 0.356 4.476 4.120 0.000 0.000 0.287 521 V C -2.569 173.569 176.094 0.074 0.000 1.015 521 V CA -1.841 60.500 62.300 0.068 0.000 0.834 521 V CB 1.519 33.388 31.823 0.077 0.000 1.001 521 V HN 0.152 nan 8.190 nan 0.000 0.428 522 P HA 0.432 nan 4.420 nan 0.000 0.285 522 P C -0.358 177.014 177.300 0.119 0.000 1.280 522 P CA -0.529 62.629 63.100 0.097 0.000 0.862 522 P CB 0.819 32.572 31.700 0.088 0.000 1.153 523 N N -1.895 116.883 118.700 0.131 0.000 2.735 523 N HA -0.119 4.621 4.740 0.000 0.000 0.248 523 N C -0.051 175.535 175.510 0.127 0.000 1.083 523 N CA 1.220 54.355 53.050 0.142 0.000 0.703 523 N CB -2.426 36.140 38.487 0.131 0.000 1.005 523 N HN 0.692 nan 8.380 nan 0.000 0.550 524 T N -2.545 112.077 114.554 0.114 0.000 2.919 524 T HA 0.420 4.770 4.350 0.000 0.000 0.302 524 T C 0.771 175.485 174.700 0.023 0.000 1.031 524 T CA -0.401 61.742 62.100 0.071 0.000 1.127 524 T CB 1.419 70.320 68.868 0.056 0.000 0.952 524 T HN 0.136 nan 8.240 nan 0.000 0.540 525 S N 1.492 117.141 115.700 -0.085 0.000 2.632 525 S HA 0.594 5.064 4.470 0.000 0.000 0.267 525 S C 0.747 175.069 174.600 -0.465 0.000 1.276 525 S CA -0.667 57.360 58.200 -0.289 0.000 0.998 525 S CB 0.548 63.549 63.200 -0.331 0.000 0.953 525 S HN 1.152 nan 8.310 nan 0.000 0.547 526 A N 1.422 123.761 122.820 -0.802 0.000 2.498 526 A HA 0.307 4.627 4.320 0.000 0.000 0.239 526 A C 0.529 178.047 177.584 -0.111 0.000 1.068 526 A CA -0.207 51.448 52.037 -0.637 0.000 0.766 526 A CB -0.393 18.364 19.000 -0.405 0.000 1.003 526 A HN 0.688 nan 8.150 nan 0.000 0.497 527 T N 2.336 116.830 114.554 -0.101 0.000 3.121 527 T HA 0.456 4.806 4.350 0.000 0.000 0.256 527 T C 0.277 174.936 174.700 -0.069 0.000 0.942 527 T CA 1.088 63.156 62.100 -0.052 0.000 1.158 527 T CB -0.958 67.875 68.868 -0.058 0.000 0.963 527 T HN 1.218 nan 8.240 nan 0.000 0.660 528 A N 1.755 124.524 122.820 -0.086 0.000 2.610 528 A HA 0.830 5.150 4.320 0.000 0.000 0.291 528 A C 0.548 177.840 177.584 -0.487 0.000 1.086 528 A CA -0.335 51.591 52.037 -0.185 0.000 0.677 528 A CB 0.572 19.519 19.000 -0.089 0.000 1.278 528 A HN 1.453 nan 8.150 nan 0.000 0.414 529 A N -0.285 122.270 122.820 -0.441 0.000 3.028 529 A HA 0.127 4.447 4.320 0.000 0.000 0.248 529 A C 1.133 178.539 177.584 -0.296 0.000 1.316 529 A CA 1.475 53.219 52.037 -0.488 0.000 1.003 529 A CB -2.501 15.905 19.000 -0.990 0.000 1.148 529 A HN 2.540 nan 8.150 nan 0.000 0.828 530 S N -2.822 112.765 115.700 -0.189 0.000 3.261 530 S HA -0.289 4.181 4.470 0.000 0.000 0.287 530 S C 1.036 175.571 174.600 -0.108 0.000 1.281 530 S CA 2.006 60.148 58.200 -0.096 0.000 1.053 530 S CB -2.379 60.820 63.200 -0.001 0.000 1.251 530 S HN 2.511 nan 8.310 nan 0.000 0.659 531 S N 0.147 115.731 115.700 -0.193 0.000 2.556 531 S HA 0.394 4.864 4.470 0.000 0.000 0.216 531 S C 1.937 176.502 174.600 -0.058 0.000 0.970 531 S CA 0.509 58.625 58.200 -0.141 0.000 0.912 531 S CB -0.025 63.027 63.200 -0.247 0.000 0.790 531 S HN 0.794 nan 8.310 nan 0.000 0.504 532 G N 2.476 111.244 108.800 -0.054 0.000 2.553 532 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 532 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 532 G C 1.629 176.539 174.900 0.017 0.000 1.195 532 G CA 1.016 46.115 45.100 -0.002 0.000 0.779 532 G HN 0.752 nan 8.290 nan 0.000 0.577 533 A N 0.784 123.607 122.820 0.005 0.000 1.898 533 A HA 0.017 4.337 4.320 0.000 0.000 0.216 533 A C 2.088 179.664 177.584 -0.014 0.000 1.181 533 A CA 2.144 54.181 52.037 -0.000 0.000 0.620 533 A CB -0.477 18.531 19.000 0.013 0.000 0.819 533 A HN 0.325 nan 8.150 nan 0.000 0.442 534 D N -0.236 120.165 120.400 0.002 0.000 2.108 534 D HA -0.179 4.461 4.640 0.000 0.000 0.190 534 D C 2.059 178.312 176.300 -0.078 0.000 0.995 534 D CA 1.919 55.914 54.000 -0.009 0.000 0.834 534 D CB -0.283 40.554 40.800 0.062 0.000 0.967 534 D HN 0.449 nan 8.370 nan 0.000 0.446 535 M N -0.236 119.369 119.600 0.008 0.000 2.287 535 M HA -0.003 4.477 4.480 0.000 0.000 0.266 535 M C 1.526 177.835 176.300 0.016 0.000 1.079 535 M CA 0.652 56.006 55.300 0.090 0.000 1.146 535 M CB 0.004 32.723 32.600 0.198 0.000 1.374 535 M HN -0.024 nan 8.290 nan 0.000 0.435 536 N N 0.499 119.208 118.700 0.015 0.000 2.300 536 N HA -0.022 4.718 4.740 0.000 0.000 0.179 536 N C 1.810 177.269 175.510 -0.085 0.000 1.016 536 N CA 1.279 54.337 53.050 0.014 0.000 0.876 536 N CB -0.338 38.230 38.487 0.136 0.000 0.979 536 N HN 0.387 nan 8.380 nan 0.000 0.432 537 G N 1.481 110.218 108.800 -0.105 0.000 2.418 537 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 537 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 537 G C 1.564 176.376 174.900 -0.147 0.000 1.158 537 G CA 0.464 45.499 45.100 -0.108 0.000 0.771 537 G HN 0.138 nan 8.290 nan 0.000 0.545 538 M N 0.898 120.340 119.600 -0.263 0.000 2.132 538 M HA 0.049 4.529 4.480 0.000 0.000 0.263 538 M C 3.033 179.209 176.300 -0.207 0.000 1.065 538 M CA 1.353 56.411 55.300 -0.405 0.000 1.122 538 M CB -0.894 31.081 32.600 -1.041 0.000 1.365 538 M HN 0.337 nan 8.290 nan 0.000 0.411 539 A N -0.238 122.520 122.820 -0.103 0.000 1.877 539 A HA -0.099 4.221 4.320 0.000 0.000 0.216 539 A C 2.343 179.930 177.584 0.005 0.000 1.186 539 A CA 1.677 53.716 52.037 0.004 0.000 0.620 539 A CB -1.031 17.985 19.000 0.026 0.000 0.822 539 A HN 0.280 nan 8.150 nan 0.000 0.443 540 V N 0.317 120.216 119.914 -0.026 0.000 2.252 540 V HA -0.351 3.769 4.120 0.000 0.000 0.249 540 V C 2.549 178.631 176.094 -0.020 0.000 1.056 540 V CA 2.607 64.892 62.300 -0.024 0.000 1.022 540 V CB -0.716 31.067 31.823 -0.067 0.000 0.641 540 V HN 0.686 nan 8.190 nan 0.000 0.445 541 K N -0.154 120.220 120.400 -0.043 0.000 2.015 541 K HA -0.329 3.991 4.320 0.000 0.000 0.216 541 K C 1.996 178.577 176.600 -0.031 0.000 1.052 541 K CA 2.462 58.720 56.287 -0.049 0.000 0.937 541 K CB -0.482 31.945 32.500 -0.120 0.000 0.719 541 K HN 0.522 nan 8.250 nan 0.000 0.446 542 D N -0.471 119.920 120.400 -0.016 0.000 2.157 542 D HA -0.230 4.410 4.640 0.000 0.000 0.191 542 D C 1.587 177.901 176.300 0.023 0.000 1.004 542 D CA 1.906 55.919 54.000 0.022 0.000 0.854 542 D CB -0.120 40.725 40.800 0.075 0.000 0.936 542 D HN 0.399 nan 8.370 nan 0.000 0.446 543 A N -0.588 122.247 122.820 0.025 0.000 1.855 543 A HA -0.157 4.163 4.320 0.000 0.000 0.215 543 A C 2.628 180.212 177.584 -0.001 0.000 1.191 543 A CA 1.616 53.665 52.037 0.020 0.000 0.613 543 A CB -0.971 18.044 19.000 0.026 0.000 0.829 543 A HN 0.510 nan 8.150 nan 0.000 0.442 544 C N -0.406 118.889 119.300 -0.008 0.000 2.435 544 C HA -0.054 4.406 4.460 0.000 0.000 0.279 544 C C 2.564 177.530 174.990 -0.039 0.000 1.321 544 C CA 0.922 59.929 59.018 -0.017 0.000 1.752 544 C CB -1.406 26.327 27.740 -0.012 0.000 1.959 544 C HN 0.651 nan 8.230 nan 0.000 0.500 545 E N 0.855 121.033 120.200 -0.036 0.000 2.077 545 E HA -0.173 4.177 4.350 0.000 0.000 0.193 545 E C 2.129 178.699 176.600 -0.050 0.000 0.989 545 E CA 1.888 58.259 56.400 -0.049 0.000 0.800 545 E CB -0.246 29.432 29.700 -0.036 0.000 0.746 545 E HN 0.690 nan 8.360 nan 0.000 0.452 546 T N 1.578 116.115 114.554 -0.029 0.000 2.737 546 T HA -0.115 4.235 4.350 0.000 0.000 0.265 546 T C 2.052 176.731 174.700 -0.035 0.000 1.038 546 T CA 0.755 62.842 62.100 -0.022 0.000 1.144 546 T CB -0.236 68.629 68.868 -0.005 0.000 0.866 546 T HN 0.074 nan 8.240 nan 0.000 0.434 547 L N 0.373 121.573 121.223 -0.038 0.000 2.056 547 L HA -0.025 4.315 4.340 0.000 0.000 0.207 547 L C 3.081 179.898 176.870 -0.088 0.000 1.078 547 L CA 1.119 55.934 54.840 -0.041 0.000 0.749 547 L CB -0.438 41.611 42.059 -0.017 0.000 0.901 547 L HN 0.122 nan 8.230 nan 0.000 0.433 548 R N 0.400 120.804 120.500 -0.159 0.000 2.115 548 R HA -0.128 4.212 4.340 0.000 0.000 0.230 548 R C 2.086 178.210 176.300 -0.293 0.000 1.111 548 R CA 1.419 57.276 56.100 -0.406 0.000 0.976 548 R CB -0.430 29.577 30.300 -0.489 0.000 0.870 548 R HN 0.413 nan 8.270 nan 0.000 0.445 549 G N 0.796 109.516 108.800 -0.134 0.000 2.433 549 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 549 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 549 G C 1.528 176.425 174.900 -0.004 0.000 1.186 549 G CA 0.593 45.663 45.100 -0.050 0.000 0.779 549 G HN 0.331 nan 8.290 nan 0.000 0.543 550 R N -0.204 120.292 120.500 -0.007 0.000 2.091 550 R HA 0.053 4.393 4.340 0.000 0.000 0.238 550 R C 2.644 178.989 176.300 0.076 0.000 1.136 550 R CA 0.955 57.069 56.100 0.023 0.000 0.959 550 R CB -0.519 29.780 30.300 -0.002 0.000 0.856 550 R HN 0.307 nan 8.270 nan 0.000 0.437 551 L N 0.070 121.333 121.223 0.067 0.000 1.994 551 L HA -0.184 4.156 4.340 0.000 0.000 0.208 551 L C 2.674 179.730 176.870 0.311 0.000 1.071 551 L CA 1.331 56.288 54.840 0.195 0.000 0.745 551 L CB -0.560 41.603 42.059 0.173 0.000 0.892 551 L HN 0.288 nan 8.230 nan 0.000 0.431 552 A N 0.061 123.051 122.820 0.282 0.000 1.883 552 A HA -0.191 4.129 4.320 0.000 0.000 0.217 552 A C 2.351 180.017 177.584 0.138 0.000 1.186 552 A CA 1.913 54.131 52.037 0.302 0.000 0.624 552 A CB -1.416 17.745 19.000 0.268 0.000 0.822 552 A HN 0.485 nan 8.150 nan 0.000 0.444 553 G N -0.992 107.875 108.800 0.111 0.000 2.446 553 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 553 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 553 G C 1.469 176.415 174.900 0.075 0.000 1.168 553 G CA 1.293 46.438 45.100 0.075 0.000 0.771 553 G HN 0.605 nan 8.290 nan 0.000 0.551 554 F N 1.610 121.550 119.950 -0.018 0.000 2.095 554 F HA -0.114 4.414 4.527 0.000 0.000 0.298 554 F C 2.570 178.323 175.800 -0.079 0.000 1.104 554 F CA 1.683 59.653 58.000 -0.050 0.000 1.232 554 F CB -0.530 38.432 39.000 -0.063 0.000 0.987 554 F HN 0.012 nan 8.300 nan 0.000 0.475 555 V N 1.068 120.717 119.914 -0.440 0.000 2.295 555 V HA -0.287 3.833 4.120 0.000 0.000 0.246 555 V C 2.887 178.781 176.094 -0.333 0.000 1.049 555 V CA 1.839 63.795 62.300 -0.573 0.000 1.024 555 V CB -1.774 29.846 31.823 -0.338 0.000 0.648 555 V HN 0.538 nan 8.190 nan 0.000 0.447 556 A N 0.045 122.776 122.820 -0.149 0.000 1.883 556 A HA -0.174 4.146 4.320 0.000 0.000 0.217 556 A C 2.408 179.938 177.584 -0.089 0.000 1.186 556 A CA 2.459 54.453 52.037 -0.073 0.000 0.624 556 A CB -0.835 18.157 19.000 -0.013 0.000 0.822 556 A HN 0.580 nan 8.150 nan 0.000 0.444 557 A N -0.631 122.125 122.820 -0.107 0.000 1.832 557 A HA -0.128 4.192 4.320 0.000 0.000 0.214 557 A C 2.271 179.777 177.584 -0.130 0.000 1.200 557 A CA 1.633 53.619 52.037 -0.085 0.000 0.610 557 A CB -0.693 18.281 19.000 -0.043 0.000 0.842 557 A HN 0.473 nan 8.150 nan 0.000 0.444 558 R N -0.297 120.053 120.500 -0.249 0.000 2.133 558 R HA -0.198 4.142 4.340 0.000 0.000 0.245 558 R C 1.289 177.487 176.300 -0.171 0.000 1.137 558 R CA 2.059 57.997 56.100 -0.269 0.000 0.947 558 R CB -0.305 29.652 30.300 -0.572 0.000 0.865 558 R HN 0.506 nan 8.270 nan 0.000 0.437 559 E N -0.805 119.291 120.200 -0.173 0.000 2.479 559 E HA 0.070 4.420 4.350 0.000 0.000 0.193 559 E C 0.342 176.928 176.600 -0.023 0.000 1.049 559 E CA 0.666 57.035 56.400 -0.053 0.000 0.870 559 E CB 0.339 30.048 29.700 0.015 0.000 0.944 559 E HN 0.592 nan 8.360 nan 0.000 0.492 560 G N 2.257 111.031 108.800 -0.045 0.000 2.438 560 G HA2 -0.258 3.702 3.960 0.000 0.000 0.272 560 G HA3 -0.258 3.702 3.960 0.000 0.000 0.272 560 G C 0.238 175.133 174.900 -0.008 0.000 0.991 560 G CA 0.388 45.474 45.100 -0.023 0.000 1.348 560 G HN 0.421 nan 8.290 nan 0.000 0.483 561 C N -0.990 118.304 119.300 -0.009 0.000 3.249 561 C HA 0.964 5.425 4.460 0.000 0.000 0.350 561 C C 0.682 175.676 174.990 0.006 0.000 1.431 561 C CA -0.382 58.638 59.018 0.004 0.000 1.209 561 C CB 1.158 28.907 27.740 0.015 0.000 1.546 561 C HN 2.414 nan 8.230 nan 0.000 0.450 562 A N 0.759 123.588 122.820 0.015 0.000 2.477 562 A HA 0.597 4.917 4.320 0.000 0.000 0.246 562 A C 1.398 179.001 177.584 0.032 0.000 1.078 562 A CA 0.526 52.575 52.037 0.021 0.000 0.770 562 A CB 0.088 19.102 19.000 0.023 0.000 1.011 562 A HN 2.459 nan 8.150 nan 0.000 0.494 563 A N 2.721 125.563 122.820 0.036 0.000 1.933 563 A HA -0.179 4.141 4.320 0.000 0.000 0.218 563 A C 2.010 179.641 177.584 0.080 0.000 1.175 563 A CA 1.771 53.842 52.037 0.057 0.000 0.628 563 A CB -0.517 18.515 19.000 0.054 0.000 0.814 563 A HN 0.982 nan 8.150 nan 0.000 0.444 564 R N -0.147 120.391 120.500 0.063 0.000 2.303 564 R HA -0.070 4.270 4.340 0.000 0.000 0.225 564 R C 0.186 176.531 176.300 0.076 0.000 1.114 564 R CA 1.546 57.687 56.100 0.067 0.000 1.007 564 R CB -0.508 29.820 30.300 0.047 0.000 0.861 564 R HN 0.303 nan 8.270 nan 0.000 0.471 565 D N 0.427 120.870 120.400 0.071 0.000 2.368 565 D HA 0.091 4.731 4.640 0.000 0.000 0.218 565 D C -0.562 175.788 176.300 0.084 0.000 1.112 565 D CA 0.125 54.166 54.000 0.067 0.000 0.834 565 D CB 0.743 41.571 40.800 0.047 0.000 0.953 565 D HN -0.006 nan 8.370 nan 0.000 0.505 566 V N 2.758 122.742 119.914 0.117 0.000 2.320 566 V HA 0.234 4.354 4.120 0.000 0.000 0.265 566 V C 0.476 176.681 176.094 0.185 0.000 1.048 566 V CA -0.525 61.852 62.300 0.129 0.000 0.865 566 V CB 0.610 32.529 31.823 0.160 0.000 1.043 566 V HN -0.042 nan 8.190 nan 0.000 0.474 567 I N 5.112 125.745 120.570 0.105 0.000 2.337 567 I HA 0.353 4.524 4.170 0.000 0.000 0.291 567 I C -0.386 175.788 176.117 0.096 0.000 1.046 567 I CA 0.025 61.413 61.300 0.146 0.000 1.324 567 I CB 0.301 38.358 38.000 0.094 0.000 1.409 567 I HN 0.311 nan 8.210 nan 0.000 0.494 568 F N 4.748 124.776 119.950 0.131 0.000 2.405 568 F HA 0.484 5.011 4.527 -0.000 0.000 0.355 568 F C 0.124 176.001 175.800 0.129 0.000 1.121 568 F CA -0.229 57.874 58.000 0.171 0.000 1.112 568 F CB 0.926 40.051 39.000 0.209 0.000 1.126 568 F HN 0.464 nan 8.300 nan 0.000 0.481 569 D N 1.414 121.957 120.400 0.238 0.000 2.734 569 D HA 0.461 5.101 4.640 0.000 0.000 0.224 569 D C -0.517 175.843 176.300 0.100 0.000 1.222 569 D CA 0.033 54.122 54.000 0.148 0.000 0.761 569 D CB 1.470 42.335 40.800 0.107 0.000 1.569 569 D HN 0.701 nan 8.370 nan 0.000 0.477 570 A N 2.150 125.007 122.820 0.062 0.000 2.745 570 A HA 0.222 4.542 4.320 0.000 0.000 0.296 570 A C 1.612 179.224 177.584 0.045 0.000 1.500 570 A CA 2.028 54.085 52.037 0.034 0.000 0.766 570 A CB -2.224 16.792 19.000 0.027 0.000 1.030 570 A HN 2.108 nan 8.150 nan 0.000 0.489 571 G N -2.608 106.224 108.800 0.054 0.000 2.168 571 G HA2 -0.247 3.713 3.960 0.000 0.000 0.263 571 G HA3 -0.247 3.713 3.960 0.000 0.000 0.263 571 G C -0.051 174.954 174.900 0.176 0.000 0.977 571 G CA 1.030 46.176 45.100 0.078 0.000 0.659 571 G HN 1.477 nan 8.290 nan 0.000 0.533 572 Q N -0.495 119.399 119.800 0.157 0.000 2.306 572 Q HA 0.679 5.019 4.340 0.000 0.000 0.265 572 Q C -0.409 175.654 176.000 0.104 0.000 1.022 572 Q CA -0.743 55.143 55.803 0.138 0.000 0.853 572 Q CB 2.796 31.579 28.738 0.075 0.000 1.327 572 Q HN 0.250 nan 8.270 nan 0.000 0.449 573 V N 1.905 121.856 119.914 0.062 0.000 2.495 573 V HA 0.385 4.505 4.120 0.000 0.000 0.298 573 V C -0.333 175.829 176.094 0.113 0.000 1.031 573 V CA -0.612 61.592 62.300 -0.160 0.000 0.871 573 V CB 1.761 33.369 31.823 -0.358 0.000 0.988 573 V HN 0.630 nan 8.190 nan 0.000 0.432 574 Q N 2.487 122.301 119.800 0.022 0.000 2.372 574 Q HA 0.866 5.206 4.340 0.000 0.000 0.273 574 Q C -0.871 175.216 176.000 0.145 0.000 1.078 574 Q CA -0.651 55.207 55.803 0.091 0.000 0.806 574 Q CB 2.915 31.647 28.738 -0.010 0.000 1.332 574 Q HN 0.957 nan 8.270 nan 0.000 0.435 575 A N 0.447 123.384 122.820 0.195 0.000 2.590 575 A HA 0.518 4.838 4.320 0.000 0.000 0.294 575 A C -0.252 177.399 177.584 0.111 0.000 1.046 575 A CA -0.258 51.880 52.037 0.167 0.000 0.684 575 A CB 1.096 20.220 19.000 0.207 0.000 1.279 575 A HN 0.676 nan 8.150 nan 0.000 0.415 576 S N -0.178 115.558 115.700 0.061 0.000 3.473 576 S HA -0.060 4.410 4.470 0.000 0.000 0.339 576 S C 1.523 176.102 174.600 -0.036 0.000 1.148 576 S CA 2.022 60.237 58.200 0.025 0.000 0.969 576 S CB -1.566 61.671 63.200 0.062 0.000 0.936 576 S HN 2.847 nan 8.310 nan 0.000 0.530 577 G N 0.182 108.944 108.800 -0.065 0.000 2.246 577 G HA2 -0.299 3.661 3.960 0.000 0.000 0.273 577 G HA3 -0.299 3.661 3.960 0.000 0.000 0.273 577 G C -0.361 174.418 174.900 -0.202 0.000 1.055 577 G CA 0.804 45.840 45.100 -0.107 0.000 0.851 577 G HN 0.721 nan 8.290 nan 0.000 0.500 578 K N -0.429 119.767 120.400 -0.340 0.000 2.468 578 K HA 0.652 4.972 4.320 0.000 0.000 0.252 578 K C -0.659 175.392 176.600 -0.915 0.000 0.932 578 K CA -0.670 55.216 56.287 -0.670 0.000 0.794 578 K CB 2.323 34.299 32.500 -0.873 0.000 1.241 578 K HN 0.167 nan 8.250 nan 0.000 0.428 579 S N 2.527 117.753 115.700 -0.790 0.000 2.498 579 S HA 0.475 4.945 4.470 0.000 0.000 0.317 579 S C -0.651 173.630 174.600 -0.531 0.000 1.090 579 S CA -0.712 57.172 58.200 -0.528 0.000 1.089 579 S CB 0.385 63.439 63.200 -0.244 0.000 0.997 579 S HN 0.587 nan 8.310 nan 0.000 0.470 580 W N 3.627 124.899 121.300 -0.047 0.000 2.127 580 W HA 0.568 5.228 4.660 0.000 0.000 0.639 580 W C 0.285 176.800 176.519 -0.007 0.000 1.437 580 W CA -0.866 56.462 57.345 -0.029 0.000 0.964 580 W CB 0.259 29.694 29.460 -0.042 0.000 3.456 580 W HN 0.426 nan 8.180 nan 0.000 0.747 581 R N -0.379 120.315 120.500 0.324 0.000 2.668 581 R HA 0.197 4.537 4.340 0.000 0.000 0.272 581 R C 0.447 176.875 176.300 0.213 0.000 1.019 581 R CA -0.703 55.530 56.100 0.221 0.000 0.894 581 R CB 2.154 32.558 30.300 0.174 0.000 1.228 581 R HN 0.196 nan 8.270 nan 0.000 0.460 582 F N 2.068 122.077 119.950 0.098 0.000 2.091 582 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 582 F C 2.187 178.046 175.800 0.099 0.000 1.103 582 F CA 2.547 60.614 58.000 0.111 0.000 1.228 582 F CB 0.009 39.088 39.000 0.131 0.000 0.984 582 F HN 0.775 nan 8.300 nan 0.000 0.477 583 A N 0.258 123.262 122.820 0.307 0.000 1.917 583 A HA -0.290 4.030 4.320 0.000 0.000 0.219 583 A C 1.913 179.551 177.584 0.089 0.000 1.182 583 A CA 2.246 54.397 52.037 0.190 0.000 0.633 583 A CB -0.954 18.138 19.000 0.154 0.000 0.819 583 A HN 0.686 nan 8.150 nan 0.000 0.448 584 E N -1.088 119.159 120.200 0.079 0.000 2.452 584 E HA 0.140 4.490 4.350 0.000 0.000 0.197 584 E C 1.449 178.043 176.600 -0.009 0.000 1.022 584 E CA 0.092 56.522 56.400 0.051 0.000 0.890 584 E CB -0.023 29.730 29.700 0.089 0.000 0.918 584 E HN 0.454 nan 8.360 nan 0.000 0.496 585 I N 1.177 121.708 120.570 -0.065 0.000 2.500 585 I HA -0.116 4.054 4.170 0.000 0.000 0.252 585 I C 2.140 178.189 176.117 -0.114 0.000 1.142 585 I CA 0.691 61.910 61.300 -0.135 0.000 1.451 585 I CB -0.299 37.553 38.000 -0.246 0.000 1.093 585 I HN 0.082 nan 8.210 nan 0.000 0.430 586 V N 1.252 121.059 119.914 -0.179 0.000 2.323 586 V HA -0.175 3.945 4.120 0.000 0.000 0.244 586 V C 2.806 178.855 176.094 -0.075 0.000 1.041 586 V CA 1.607 63.814 62.300 -0.155 0.000 1.025 586 V CB -0.911 30.849 31.823 -0.105 0.000 0.656 586 V HN 0.406 nan 8.190 nan 0.000 0.451 587 A N 0.130 122.937 122.820 -0.021 0.000 1.908 587 A HA -0.181 4.139 4.320 0.000 0.000 0.218 587 A C 2.398 180.007 177.584 0.043 0.000 1.181 587 A CA 2.292 54.349 52.037 0.033 0.000 0.627 587 A CB -0.802 18.223 19.000 0.041 0.000 0.818 587 A HN 0.578 nan 8.150 nan 0.000 0.445 588 A N -0.415 122.397 122.820 -0.012 0.000 1.930 588 A HA 0.229 4.549 4.320 0.000 0.000 0.217 588 A C 2.443 179.818 177.584 -0.348 0.000 1.175 588 A CA 1.849 53.872 52.037 -0.023 0.000 0.627 588 A CB -0.864 18.224 19.000 0.147 0.000 0.815 588 A HN 1.066 nan 8.150 nan 0.000 0.443 589 A N -1.584 120.849 122.820 -0.645 0.000 2.015 589 A HA -0.061 4.259 4.320 0.000 0.000 0.219 589 A C 2.038 179.343 177.584 -0.466 0.000 1.163 589 A CA 1.460 52.851 52.037 -1.076 0.000 0.646 589 A CB -0.689 17.825 19.000 -0.808 0.000 0.806 589 A HN 0.784 nan 8.150 nan 0.000 0.448 590 Y N -0.253 119.854 120.300 -0.320 0.000 2.439 590 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 590 Y C 2.060 177.866 175.900 -0.156 0.000 1.130 590 Y CA 1.455 59.443 58.100 -0.187 0.000 1.254 590 Y CB -0.121 38.273 38.460 -0.110 0.000 1.000 590 Y HN 0.199 nan 8.280 nan 0.000 0.554 591 M N -0.051 119.377 119.600 -0.287 0.000 2.160 591 M HA 0.015 4.495 4.480 0.000 0.000 0.264 591 M C 2.316 178.455 176.300 -0.267 0.000 1.073 591 M CA 1.441 56.565 55.300 -0.292 0.000 1.142 591 M CB -1.461 31.070 32.600 -0.115 0.000 1.358 591 M HN 0.416 nan 8.290 nan 0.000 0.422 592 A N -0.200 122.456 122.820 -0.274 0.000 2.239 592 A HA -0.005 4.315 4.320 0.000 0.000 0.209 592 A C 0.831 178.295 177.584 -0.200 0.000 1.171 592 A CA 0.238 52.156 52.037 -0.200 0.000 0.768 592 A CB -0.507 18.370 19.000 -0.205 0.000 0.790 592 A HN 0.595 nan 8.150 nan 0.000 0.478 593 R N -1.254 119.092 120.500 -0.257 0.000 3.332 593 R HA -0.115 4.225 4.340 0.000 0.000 0.263 593 R C -0.894 175.320 176.300 -0.144 0.000 1.053 593 R CA 0.582 56.561 56.100 -0.202 0.000 0.705 593 R CB -1.945 28.258 30.300 -0.161 0.000 1.166 593 R HN 0.385 nan 8.270 nan 0.000 0.427 594 I N 0.491 120.956 120.570 -0.175 0.000 2.342 594 I HA 0.090 4.260 4.170 0.000 0.000 0.291 594 I C 1.310 177.378 176.117 -0.082 0.000 1.010 594 I CA -0.205 61.019 61.300 -0.126 0.000 1.308 594 I CB 1.564 39.462 38.000 -0.171 0.000 1.400 594 I HN 0.076 nan 8.210 nan 0.000 0.488 595 S N 5.814 121.484 115.700 -0.049 0.000 2.544 595 S HA 0.165 4.635 4.470 0.000 0.000 0.290 595 S C 0.478 175.058 174.600 -0.033 0.000 1.276 595 S CA -0.202 57.980 58.200 -0.029 0.000 1.075 595 S CB -0.039 63.147 63.200 -0.023 0.000 0.849 595 S HN 0.421 nan 8.310 nan 0.000 0.494 596 L N 4.571 125.777 121.223 -0.029 0.000 3.062 596 L HA 0.410 4.750 4.340 0.000 0.000 0.255 596 L C 0.427 177.258 176.870 -0.065 0.000 1.274 596 L CA -0.024 54.790 54.840 -0.044 0.000 1.047 596 L CB 0.483 42.516 42.059 -0.043 0.000 1.402 596 L HN 0.465 nan 8.230 nan 0.000 0.550 597 S N 0.616 116.286 115.700 -0.049 0.000 2.502 597 S HA 0.909 5.379 4.470 0.000 0.000 0.304 597 S C -0.676 173.907 174.600 -0.029 0.000 1.097 597 S CA -0.258 57.910 58.200 -0.053 0.000 1.045 597 S CB 1.416 64.591 63.200 -0.043 0.000 1.019 597 S HN 0.247 nan 8.310 nan 0.000 0.481 598 A N 2.927 125.733 122.820 -0.023 0.000 2.520 598 A HA 0.763 5.083 4.320 0.000 0.000 0.298 598 A C -0.183 177.409 177.584 0.013 0.000 1.051 598 A CA -0.745 51.290 52.037 -0.004 0.000 0.690 598 A CB 1.343 20.340 19.000 -0.004 0.000 1.281 598 A HN 0.892 nan 8.150 nan 0.000 0.402 599 T N -0.526 114.045 114.554 0.029 0.000 2.928 599 T HA 0.789 5.139 4.350 0.000 0.000 0.284 599 T C 0.238 174.985 174.700 0.079 0.000 1.008 599 T CA -0.134 61.999 62.100 0.056 0.000 1.057 599 T CB 1.801 70.705 68.868 0.059 0.000 1.018 599 T HN 1.673 nan 8.240 nan 0.000 0.493 600 G N 0.633 109.502 108.800 0.115 0.000 2.662 600 G HA2 0.608 4.568 3.960 0.000 0.000 0.302 600 G HA3 0.608 4.568 3.960 0.000 0.000 0.302 600 G C -1.990 173.049 174.900 0.232 0.000 1.389 600 G CA -0.716 44.467 45.100 0.138 0.000 0.998 600 G HN 0.678 nan 8.290 nan 0.000 0.502 601 F N 1.929 121.923 119.950 0.073 0.000 2.563 601 F HA 0.803 5.330 4.527 -0.000 0.000 0.316 601 F C -1.485 174.415 175.800 0.168 0.000 1.076 601 F CA -1.302 56.755 58.000 0.095 0.000 0.921 601 F CB 2.437 41.471 39.000 0.057 0.000 1.209 601 F HN 0.508 nan 8.300 nan 0.000 0.462 602 Y N 3.315 123.183 120.300 -0.720 0.000 2.479 602 Y HA 0.736 5.285 4.550 -0.000 0.000 0.338 602 Y C -1.758 173.765 175.900 -0.628 0.000 1.055 602 Y CA -0.981 56.849 58.100 -0.450 0.000 1.023 602 Y CB 1.645 39.967 38.460 -0.230 0.000 1.287 602 Y HN 0.837 nan 8.280 nan 0.000 0.447 603 A N 3.444 125.650 122.820 -1.023 0.000 2.356 603 A HA 0.622 4.942 4.320 0.000 0.000 0.310 603 A C -0.842 176.150 177.584 -0.987 0.000 1.075 603 A CA -0.764 50.820 52.037 -0.755 0.000 0.746 603 A CB 0.756 19.623 19.000 -0.221 0.000 1.221 603 A HN 0.703 nan 8.150 nan 0.000 0.443 604 T N 5.210 119.401 114.554 -0.605 0.000 2.799 604 T HA 0.429 4.779 4.350 0.000 0.000 0.296 604 T C -1.974 172.638 174.700 -0.146 0.000 0.947 604 T CA -0.263 61.662 62.100 -0.291 0.000 1.141 604 T CB 0.173 69.032 68.868 -0.014 0.000 0.891 604 T HN 0.609 nan 8.240 nan 0.000 0.533 605 P HA 0.465 nan 4.420 nan 0.000 0.281 605 P C -0.060 177.246 177.300 0.010 0.000 1.281 605 P CA -0.743 62.342 63.100 -0.026 0.000 0.811 605 P CB 0.884 32.581 31.700 -0.005 0.000 1.154 606 K N -2.474 117.934 120.400 0.013 0.000 3.587 606 K HA -0.134 4.186 4.320 0.000 0.000 0.294 606 K C -0.177 176.432 176.600 0.015 0.000 1.279 606 K CA 0.876 57.174 56.287 0.018 0.000 1.004 606 K CB -2.051 30.464 32.500 0.025 0.000 1.276 606 K HN 0.351 nan 8.250 nan 0.000 0.459 607 L N 1.678 122.911 121.223 0.018 0.000 2.272 607 L HA 0.507 4.847 4.340 0.000 0.000 0.289 607 L C 0.070 176.983 176.870 0.071 0.000 1.032 607 L CA -0.570 54.286 54.840 0.028 0.000 0.810 607 L CB 1.680 43.753 42.059 0.022 0.000 1.205 607 L HN 0.154 nan 8.230 nan 0.000 0.422 608 S N 3.223 118.983 115.700 0.101 0.000 2.652 608 S HA 0.635 5.105 4.470 0.000 0.000 0.273 608 S C -1.528 173.195 174.600 0.205 0.000 1.172 608 S CA -0.782 57.495 58.200 0.129 0.000 1.009 608 S CB 1.308 64.544 63.200 0.060 0.000 1.094 608 S HN 0.753 nan 8.310 nan 0.000 0.471 609 W N 2.648 123.903 121.300 -0.075 0.000 3.274 609 W HA 0.558 5.218 4.660 0.000 0.000 0.327 609 W C -1.945 174.531 176.519 -0.071 0.000 1.172 609 W CA -0.719 56.569 57.345 -0.095 0.000 1.217 609 W CB 0.874 30.239 29.460 -0.158 0.000 1.376 609 W HN 0.644 nan 8.180 nan 0.000 0.507 610 D N 4.013 124.301 120.400 -0.188 0.000 2.339 610 D HA 0.133 4.773 4.640 0.000 0.000 0.241 610 D C 1.213 177.226 176.300 -0.478 0.000 1.183 610 D CA 0.019 53.825 54.000 -0.323 0.000 0.859 610 D CB 1.352 42.073 40.800 -0.132 0.000 1.067 610 D HN 0.568 nan 8.370 nan 0.000 0.484 611 R N 3.600 123.661 120.500 -0.731 0.000 2.075 611 R HA -0.079 4.261 4.340 0.000 0.000 0.232 611 R C 1.869 178.182 176.300 0.021 0.000 1.126 611 R CA 0.921 56.657 56.100 -0.606 0.000 0.963 611 R CB 0.135 30.128 30.300 -0.512 0.000 0.858 611 R HN 0.525 nan 8.270 nan 0.000 0.435 612 L N 0.057 121.276 121.223 -0.007 0.000 2.027 612 L HA -0.130 4.210 4.340 0.000 0.000 0.206 612 L C 2.634 179.616 176.870 0.187 0.000 1.074 612 L CA 0.991 55.903 54.840 0.120 0.000 0.745 612 L CB -0.580 41.501 42.059 0.037 0.000 0.898 612 L HN 0.108 nan 8.230 nan 0.000 0.433 613 R N 0.595 121.132 120.500 0.062 0.000 2.096 613 R HA -0.072 4.268 4.340 0.000 0.000 0.235 613 R C 1.435 177.720 176.300 -0.025 0.000 1.127 613 R CA 1.083 57.208 56.100 0.041 0.000 0.968 613 R CB -0.980 29.316 30.300 -0.007 0.000 0.861 613 R HN 0.563 nan 8.270 nan 0.000 0.440 614 G N 0.947 109.649 108.800 -0.163 0.000 2.149 614 G HA2 -0.201 3.759 3.960 0.000 0.000 0.235 614 G HA3 -0.201 3.759 3.960 0.000 0.000 0.235 614 G C -0.244 174.431 174.900 -0.374 0.000 1.018 614 G CA 0.037 44.677 45.100 -0.767 0.000 0.728 614 G HN 0.219 nan 8.290 nan 0.000 0.508 615 Q N -0.878 118.881 119.800 -0.069 0.000 2.397 615 Q HA 0.771 5.111 4.340 0.000 0.000 0.275 615 Q C 0.494 176.571 176.000 0.129 0.000 1.090 615 Q CA 0.352 56.160 55.803 0.009 0.000 0.809 615 Q CB 2.041 30.774 28.738 -0.008 0.000 1.362 615 Q HN 1.701 nan 8.270 nan 0.000 0.431 616 G N 1.087 109.948 108.800 0.102 0.000 2.318 616 G HA2 -0.090 3.870 3.960 0.000 0.000 0.367 616 G HA3 -0.090 3.870 3.960 0.000 0.000 0.367 616 G C -1.460 173.479 174.900 0.066 0.000 1.260 616 G CA -0.938 44.236 45.100 0.123 0.000 1.055 616 G HN 0.453 nan 8.290 nan 0.000 0.484 617 R N 1.325 121.851 120.500 0.043 0.000 2.288 617 R HA 0.542 4.882 4.340 0.000 0.000 0.326 617 R C -1.760 174.379 176.300 -0.268 0.000 0.959 617 R CA -1.770 54.273 56.100 -0.096 0.000 0.834 617 R CB 1.960 32.232 30.300 -0.046 0.000 1.157 617 R HN 0.312 nan 8.270 nan 0.000 0.470 618 P HA 0.060 nan 4.420 nan 0.000 0.226 618 P C -0.386 176.396 177.300 -0.863 0.000 1.160 618 P CA 0.608 62.962 63.100 -1.243 0.000 0.837 618 P CB 0.477 30.697 31.700 -2.466 0.000 0.860 619 F N -1.102 118.619 119.950 -0.381 0.000 2.538 619 F HA 0.320 4.847 4.527 -0.000 0.000 0.325 619 F C 1.600 177.193 175.800 -0.344 0.000 1.066 619 F CA -1.238 56.497 58.000 -0.442 0.000 0.946 619 F CB 1.426 39.998 39.000 -0.713 0.000 1.199 619 F HN -0.327 nan 8.300 nan 0.000 0.473 620 L N 1.934 123.102 121.223 -0.090 0.000 2.127 620 L HA 0.097 4.437 4.340 0.000 0.000 0.203 620 L C -0.364 176.537 176.870 0.052 0.000 1.080 620 L CA 1.316 56.166 54.840 0.018 0.000 0.768 620 L CB -0.193 41.962 42.059 0.159 0.000 0.924 620 L HN 0.669 nan 8.230 nan 0.000 0.444 621 Y N -4.885 115.256 120.300 -0.264 0.000 2.744 621 Y HA 0.588 5.138 4.550 0.000 0.000 0.330 621 Y C -1.370 174.154 175.900 -0.627 0.000 1.263 621 Y CA -2.293 55.618 58.100 -0.315 0.000 1.065 621 Y CB 0.424 38.834 38.460 -0.084 0.000 1.306 621 Y HN -0.222 nan 8.280 nan 0.000 0.459 622 F N 1.139 121.083 119.950 -0.010 0.000 2.507 622 F HA 0.805 5.332 4.527 -0.000 0.000 0.325 622 F C 0.098 175.706 175.800 -0.320 0.000 1.116 622 F CA -1.026 56.759 58.000 -0.359 0.000 0.930 622 F CB 2.211 40.888 39.000 -0.539 0.000 1.146 622 F HN 0.778 nan 8.300 nan 0.000 0.447 623 A N 3.459 126.193 122.820 -0.144 0.000 2.301 623 A HA 0.696 5.016 4.320 0.000 0.000 0.298 623 A C -1.424 175.972 177.584 -0.314 0.000 1.185 623 A CA -0.264 51.745 52.037 -0.046 0.000 0.830 623 A CB 0.126 19.217 19.000 0.151 0.000 1.112 623 A HN 0.745 nan 8.150 nan 0.000 0.508 624 Y N 0.840 121.075 120.300 -0.108 0.000 2.654 624 Y HA 0.760 5.310 4.550 0.000 0.000 0.327 624 Y C 0.941 176.589 175.900 -0.420 0.000 1.122 624 Y CA 0.095 58.068 58.100 -0.213 0.000 1.227 624 Y CB 2.034 40.339 38.460 -0.260 0.000 1.370 624 Y HN 1.179 nan 8.280 nan 0.000 0.528 625 G N -0.658 108.082 108.800 -0.100 0.000 2.337 625 G HA2 0.532 4.492 3.960 0.000 0.000 0.310 625 G HA3 0.532 4.492 3.960 0.000 0.000 0.310 625 G C -2.171 172.739 174.900 0.018 0.000 1.534 625 G CA -0.256 44.800 45.100 -0.073 0.000 0.982 625 G HN 1.006 nan 8.290 nan 0.000 0.672 626 A N -0.752 122.082 122.820 0.023 0.000 2.594 626 A HA 1.147 5.467 4.320 0.000 0.000 0.291 626 A C -0.264 177.333 177.584 0.022 0.000 1.105 626 A CA 0.233 52.282 52.037 0.020 0.000 0.694 626 A CB 1.505 20.482 19.000 -0.038 0.000 1.291 626 A HN 2.656 nan 8.150 nan 0.000 0.410 627 A N 0.550 123.377 122.820 0.012 0.000 2.422 627 A HA 0.729 5.049 4.320 0.000 0.000 0.302 627 A C -1.156 176.390 177.584 -0.063 0.000 1.041 627 A CA -0.294 51.730 52.037 -0.021 0.000 0.708 627 A CB 0.796 19.813 19.000 0.027 0.000 1.257 627 A HN 0.765 nan 8.150 nan 0.000 0.414 628 I N 2.485 122.988 120.570 -0.112 0.000 2.328 628 I HA 0.330 4.501 4.170 0.000 0.000 0.287 628 I C -0.187 175.893 176.117 -0.062 0.000 1.012 628 I CA 0.011 61.234 61.300 -0.128 0.000 1.195 628 I CB 1.768 39.644 38.000 -0.206 0.000 1.350 628 I HN 0.588 nan 8.210 nan 0.000 0.464 629 T N 5.494 120.047 114.554 -0.003 0.000 2.823 629 T HA 0.345 4.695 4.350 0.000 0.000 0.279 629 T C -0.494 174.219 174.700 0.022 0.000 0.998 629 T CA -0.612 61.496 62.100 0.013 0.000 0.994 629 T CB 1.903 70.829 68.868 0.097 0.000 0.960 629 T HN 0.526 nan 8.240 nan 0.000 0.448 630 E N 2.098 122.290 120.200 -0.013 0.000 2.222 630 E HA 0.633 4.984 4.350 0.000 0.000 0.267 630 E C -1.053 175.512 176.600 -0.058 0.000 0.884 630 E CA -0.835 55.547 56.400 -0.030 0.000 0.764 630 E CB 1.480 31.151 29.700 -0.049 0.000 1.169 630 E HN 0.512 nan 8.360 nan 0.000 0.413 631 V N 0.628 120.502 119.914 -0.066 0.000 3.141 631 V HA 0.798 4.918 4.120 0.000 0.000 0.312 631 V C -0.694 175.346 176.094 -0.090 0.000 1.157 631 V CA -0.810 61.447 62.300 -0.073 0.000 1.041 631 V CB 1.546 33.335 31.823 -0.056 0.000 1.071 631 V HN 0.453 nan 8.190 nan 0.000 0.441 632 V N 0.751 120.619 119.914 -0.076 0.000 2.680 632 V HA 0.808 4.928 4.120 0.000 0.000 0.309 632 V C -0.247 175.836 176.094 -0.018 0.000 1.052 632 V CA -0.624 61.647 62.300 -0.049 0.000 0.908 632 V CB 1.258 33.051 31.823 -0.050 0.000 1.001 632 V HN 1.244 nan 8.190 nan 0.000 0.431 633 I N -0.711 119.864 120.570 0.009 0.000 2.646 633 I HA 0.745 4.915 4.170 0.000 0.000 0.299 633 I C -0.961 175.170 176.117 0.024 0.000 1.036 633 I CA -0.556 60.744 61.300 0.001 0.000 1.074 633 I CB 2.128 40.113 38.000 -0.024 0.000 1.258 633 I HN 0.609 nan 8.210 nan 0.000 0.430 634 D N 4.331 124.737 120.400 0.010 0.000 2.441 634 D HA 0.227 4.867 4.640 0.000 0.000 0.221 634 D C 0.967 177.266 176.300 -0.001 0.000 1.156 634 D CA -0.369 53.638 54.000 0.012 0.000 0.896 634 D CB 0.817 41.621 40.800 0.006 0.000 1.028 634 D HN 0.430 nan 8.370 nan 0.000 0.509 635 R N 2.807 123.307 120.500 -0.000 0.000 2.316 635 R HA -0.101 4.239 4.340 0.000 0.000 0.232 635 R C 1.228 177.518 176.300 -0.016 0.000 1.137 635 R CA 0.691 56.783 56.100 -0.012 0.000 1.012 635 R CB 0.001 30.291 30.300 -0.016 0.000 0.859 635 R HN 0.559 nan 8.270 nan 0.000 0.474 636 L N -0.981 120.235 121.223 -0.012 0.000 2.269 636 L HA -0.043 4.297 4.340 0.000 0.000 0.200 636 L C 2.371 179.233 176.870 -0.013 0.000 1.069 636 L CA 1.385 56.217 54.840 -0.013 0.000 0.804 636 L CB -0.014 42.038 42.059 -0.012 0.000 0.987 636 L HN 0.210 nan 8.230 nan 0.000 0.468 637 T N -5.398 109.149 114.554 -0.012 0.000 3.018 637 T HA 0.310 4.660 4.350 0.000 0.000 0.246 637 T C 1.378 176.069 174.700 -0.015 0.000 1.026 637 T CA 0.694 62.786 62.100 -0.012 0.000 1.081 637 T CB 1.146 70.007 68.868 -0.011 0.000 0.970 637 T HN 0.359 nan 8.240 nan 0.000 0.475 638 G N 1.203 109.993 108.800 -0.016 0.000 2.316 638 G HA2 -0.174 3.786 3.960 0.000 0.000 0.203 638 G HA3 -0.174 3.786 3.960 0.000 0.000 0.203 638 G C -0.155 174.732 174.900 -0.021 0.000 0.999 638 G CA -0.151 44.937 45.100 -0.021 0.000 0.649 638 G HN 0.650 nan 8.290 nan 0.000 0.489 639 E N 1.223 121.412 120.200 -0.018 0.000 2.696 639 E HA 0.290 4.641 4.350 0.000 0.000 0.270 639 E C 0.439 177.028 176.600 -0.018 0.000 0.958 639 E CA 1.381 57.770 56.400 -0.019 0.000 0.964 639 E CB 0.102 29.795 29.700 -0.013 0.000 0.948 639 E HN 0.823 nan 8.360 nan 0.000 0.472 640 N N 0.842 119.528 118.700 -0.024 0.000 2.823 640 N HA 0.516 5.256 4.740 0.000 0.000 0.251 640 N C -1.585 173.905 175.510 -0.032 0.000 1.392 640 N CA -1.176 51.858 53.050 -0.027 0.000 0.864 640 N CB 1.372 39.838 38.487 -0.035 0.000 1.481 640 N HN 0.471 nan 8.380 nan 0.000 0.508 641 R N 0.006 120.485 120.500 -0.036 0.000 2.629 641 R HA 0.489 4.829 4.340 0.000 0.000 0.266 641 R C -1.488 174.782 176.300 -0.049 0.000 1.051 641 R CA -0.920 55.156 56.100 -0.040 0.000 0.895 641 R CB 0.902 31.184 30.300 -0.031 0.000 1.246 641 R HN 0.539 nan 8.270 nan 0.000 0.459 642 I N 3.370 123.910 120.570 -0.050 0.000 2.587 642 I HA -0.044 4.126 4.170 0.000 0.000 0.284 642 I C 1.118 177.195 176.117 -0.067 0.000 1.134 642 I CA -0.071 61.197 61.300 -0.053 0.000 1.410 642 I CB 0.721 38.697 38.000 -0.039 0.000 1.392 642 I HN 0.592 nan 8.210 nan 0.000 0.545 643 L N 5.988 127.163 121.223 -0.081 0.000 2.145 643 L HA 0.199 4.539 4.340 0.000 0.000 0.201 643 L C 1.001 177.812 176.870 -0.099 0.000 1.075 643 L CA 0.685 55.471 54.840 -0.090 0.000 0.773 643 L CB -0.023 41.967 42.059 -0.115 0.000 0.936 643 L HN 0.586 nan 8.230 nan 0.000 0.451 644 R N -0.996 119.437 120.500 -0.113 0.000 2.594 644 R HA 0.409 4.749 4.340 0.000 0.000 0.265 644 R C -1.754 174.442 176.300 -0.175 0.000 1.070 644 R CA -0.390 55.629 56.100 -0.136 0.000 0.909 644 R CB 1.898 32.145 30.300 -0.089 0.000 1.243 644 R HN -0.189 nan 8.270 nan 0.000 0.455 645 T N 2.327 116.712 114.554 -0.283 0.000 2.881 645 T HA 0.376 4.727 4.350 0.000 0.000 0.290 645 T C -1.535 173.036 174.700 -0.214 0.000 1.000 645 T CA -0.851 61.041 62.100 -0.346 0.000 0.978 645 T CB 1.465 69.860 68.868 -0.788 0.000 0.997 645 T HN 0.437 nan 8.240 nan 0.000 0.443 646 D N 3.053 123.369 120.400 -0.141 0.000 2.425 646 D HA 0.468 5.108 4.640 0.000 0.000 0.240 646 D C -0.391 175.870 176.300 -0.066 0.000 1.080 646 D CA -0.260 53.703 54.000 -0.062 0.000 0.836 646 D CB 1.966 42.747 40.800 -0.033 0.000 1.125 646 D HN 0.394 nan 8.370 nan 0.000 0.525 647 I N 1.775 122.332 120.570 -0.021 0.000 2.530 647 I HA 0.399 4.569 4.170 0.000 0.000 0.297 647 I C -0.430 175.720 176.117 0.054 0.000 1.011 647 I CA -0.917 60.386 61.300 0.005 0.000 1.107 647 I CB 2.451 40.457 38.000 0.010 0.000 1.285 647 I HN 0.092 nan 8.210 nan 0.000 0.436 648 L N 5.802 127.069 121.223 0.073 0.000 2.514 648 L HA 0.382 4.722 4.340 0.000 0.000 0.257 648 L C -0.942 176.006 176.870 0.131 0.000 1.101 648 L CA -0.304 54.602 54.840 0.110 0.000 0.911 648 L CB 0.583 42.695 42.059 0.088 0.000 1.162 648 L HN 0.587 nan 8.230 nan 0.000 0.477 649 H N 1.334 120.456 119.070 0.086 0.000 2.496 649 H HA 0.396 4.952 4.556 0.000 0.000 0.342 649 H C -0.962 174.466 175.328 0.167 0.000 1.170 649 H CA -0.255 55.849 56.048 0.094 0.000 1.274 649 H CB 1.505 31.317 29.762 0.083 0.000 1.538 649 H HN 0.430 nan 8.280 nan 0.000 0.542 650 D N 2.059 122.210 120.400 -0.416 0.000 2.317 650 D HA 0.322 4.962 4.640 0.000 0.000 0.234 650 D C -0.492 175.842 176.300 0.057 0.000 1.112 650 D CA -0.187 53.793 54.000 -0.034 0.000 0.840 650 D CB 0.893 41.703 40.800 0.015 0.000 1.078 650 D HN 0.635 nan 8.370 nan 0.000 0.486 651 A N 3.046 125.988 122.820 0.204 0.000 2.564 651 A HA 0.617 4.937 4.320 0.000 0.000 0.279 651 A C 1.232 178.898 177.584 0.136 0.000 1.232 651 A CA 0.442 52.600 52.037 0.203 0.000 0.950 651 A CB -0.352 18.766 19.000 0.196 0.000 1.138 651 A HN 0.854 nan 8.150 nan 0.000 0.526 652 G N 0.353 109.236 108.800 0.138 0.000 2.582 652 G HA2 0.069 4.029 3.960 0.000 0.000 0.288 652 G HA3 0.069 4.029 3.960 0.000 0.000 0.288 652 G C 0.678 175.600 174.900 0.038 0.000 1.247 652 G CA 0.124 45.270 45.100 0.076 0.000 0.972 652 G HN 1.830 nan 8.290 nan 0.000 0.557 653 A N 0.038 122.864 122.820 0.010 0.000 2.805 653 A HA 0.622 4.942 4.320 0.000 0.000 0.301 653 A C 0.976 178.572 177.584 0.021 0.000 1.557 653 A CA 1.448 53.489 52.037 0.007 0.000 1.254 653 A CB -0.458 18.549 19.000 0.012 0.000 1.114 653 A HN 2.218 nan 8.150 nan 0.000 0.553 654 S N 2.167 117.880 115.700 0.022 0.000 2.575 654 S HA 0.077 4.547 4.470 0.000 0.000 0.295 654 S C 1.289 175.890 174.600 0.002 0.000 1.267 654 S CA -0.267 57.950 58.200 0.027 0.000 1.074 654 S CB -0.178 63.041 63.200 0.031 0.000 0.829 654 S HN 0.555 nan 8.310 nan 0.000 0.497 655 L N 3.919 125.148 121.223 0.010 0.000 2.093 655 L HA 0.076 4.416 4.340 0.000 0.000 0.208 655 L C 1.399 178.246 176.870 -0.038 0.000 1.085 655 L CA 0.760 55.588 54.840 -0.021 0.000 0.755 655 L CB -0.164 41.901 42.059 0.009 0.000 0.904 655 L HN 0.649 nan 8.230 nan 0.000 0.435 656 N N -1.246 117.448 118.700 -0.010 0.000 2.594 656 N HA 0.155 4.895 4.740 0.000 0.000 0.280 656 N C -2.297 173.214 175.510 0.003 0.000 1.156 656 N CA -1.256 51.788 53.050 -0.010 0.000 0.831 656 N CB 1.785 40.273 38.487 0.002 0.000 1.379 656 N HN -0.269 nan 8.380 nan 0.000 0.536 657 P HA -0.108 nan 4.420 nan 0.000 0.216 657 P C 1.084 178.387 177.300 0.004 0.000 1.153 657 P CA 1.453 64.555 63.100 0.004 0.000 0.858 657 P CB 0.400 32.097 31.700 -0.005 0.000 0.789 658 A N -0.589 122.231 122.820 0.000 0.000 1.858 658 A HA -0.172 4.148 4.320 0.000 0.000 0.216 658 A C 2.253 179.837 177.584 0.001 0.000 1.190 658 A CA 1.580 53.617 52.037 -0.000 0.000 0.617 658 A CB -1.655 17.348 19.000 0.005 0.000 0.827 658 A HN 0.103 nan 8.150 nan 0.000 0.443 659 L N -0.671 120.559 121.223 0.011 0.000 2.093 659 L HA -0.183 4.157 4.340 0.000 0.000 0.208 659 L C 2.133 179.005 176.870 0.004 0.000 1.085 659 L CA 1.415 56.262 54.840 0.012 0.000 0.755 659 L CB -0.690 41.386 42.059 0.029 0.000 0.904 659 L HN 0.296 nan 8.230 nan 0.000 0.435 660 D N 0.279 120.687 120.400 0.014 0.000 2.117 660 D HA -0.150 4.490 4.640 0.000 0.000 0.197 660 D C 2.244 178.550 176.300 0.010 0.000 0.987 660 D CA 1.251 55.266 54.000 0.025 0.000 0.829 660 D CB -0.062 40.769 40.800 0.052 0.000 0.961 660 D HN 0.266 nan 8.370 nan 0.000 0.460 661 I N 0.536 121.106 120.570 -0.000 0.000 2.315 661 I HA -0.127 4.043 4.170 0.000 0.000 0.248 661 I C 2.467 178.545 176.117 -0.065 0.000 1.117 661 I CA 1.133 62.417 61.300 -0.028 0.000 1.404 661 I CB -0.331 37.651 38.000 -0.032 0.000 1.071 661 I HN 0.024 nan 8.210 nan 0.000 0.419 662 G N -0.023 108.745 108.800 -0.053 0.000 2.440 662 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 662 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 662 G C 1.562 176.436 174.900 -0.044 0.000 1.154 662 G CA 0.410 45.474 45.100 -0.060 0.000 0.767 662 G HN 0.283 nan 8.290 nan 0.000 0.552 663 Q N 0.123 119.906 119.800 -0.028 0.000 2.096 663 Q HA -0.064 4.276 4.340 0.000 0.000 0.204 663 Q C 2.743 178.732 176.000 -0.018 0.000 0.982 663 Q CA 1.042 56.837 55.803 -0.012 0.000 0.850 663 Q CB -0.275 28.454 28.738 -0.015 0.000 0.901 663 Q HN 0.598 nan 8.270 nan 0.000 0.422 664 I N 0.668 121.204 120.570 -0.057 0.000 2.202 664 I HA -0.260 3.910 4.170 0.000 0.000 0.242 664 I C 2.195 178.311 176.117 -0.002 0.000 1.091 664 I CA 1.040 62.291 61.300 -0.082 0.000 1.368 664 I CB -0.242 37.694 38.000 -0.107 0.000 1.058 664 I HN 0.218 nan 8.210 nan 0.000 0.410 665 E N 0.981 121.143 120.200 -0.064 0.000 2.005 665 E HA -0.207 4.143 4.350 0.000 0.000 0.198 665 E C 2.313 178.987 176.600 0.123 0.000 1.010 665 E CA 1.448 57.793 56.400 -0.092 0.000 0.825 665 E CB -0.612 28.855 29.700 -0.389 0.000 0.769 665 E HN 0.570 nan 8.360 nan 0.000 0.456 666 G N 1.241 110.076 108.800 0.058 0.000 2.529 666 G HA2 -0.352 3.608 3.960 0.000 0.000 0.219 666 G HA3 -0.352 3.608 3.960 0.000 0.000 0.219 666 G C 1.733 176.721 174.900 0.146 0.000 1.177 666 G CA 1.423 46.585 45.100 0.104 0.000 0.773 666 G HN 0.377 nan 8.290 nan 0.000 0.573 667 A N -0.131 122.780 122.820 0.151 0.000 1.940 667 A HA -0.091 4.229 4.320 0.000 0.000 0.219 667 A C 2.224 179.844 177.584 0.061 0.000 1.176 667 A CA 1.918 54.065 52.037 0.182 0.000 0.631 667 A CB -0.666 18.421 19.000 0.145 0.000 0.814 667 A HN 0.610 nan 8.150 nan 0.000 0.446 668 Y N 0.391 120.684 120.300 -0.012 0.000 2.163 668 Y HA -0.136 4.414 4.550 0.000 0.000 0.288 668 Y C 2.272 178.134 175.900 -0.062 0.000 1.136 668 Y CA 1.947 60.017 58.100 -0.050 0.000 1.147 668 Y CB -0.380 38.127 38.460 0.077 0.000 0.987 668 Y HN 0.038 nan 8.280 nan 0.000 0.509 669 V N 0.999 120.984 119.914 0.118 0.000 2.469 669 V HA -0.340 3.780 4.120 0.000 0.000 0.251 669 V C 2.359 178.369 176.094 -0.139 0.000 1.064 669 V CA 2.398 64.695 62.300 -0.006 0.000 1.066 669 V CB -0.720 31.197 31.823 0.157 0.000 0.667 669 V HN 0.530 nan 8.190 nan 0.000 0.461 670 Q N -0.471 119.278 119.800 -0.084 0.000 2.245 670 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 670 Q C 2.226 178.080 176.000 -0.242 0.000 0.955 670 Q CA 1.183 56.967 55.803 -0.031 0.000 0.870 670 Q CB -0.137 28.706 28.738 0.176 0.000 0.945 670 Q HN 0.678 nan 8.270 nan 0.000 0.461 671 G N 0.405 108.766 108.800 -0.731 0.000 2.414 671 G HA2 -0.233 3.727 3.960 0.000 0.000 0.215 671 G HA3 -0.233 3.727 3.960 0.000 0.000 0.215 671 G C 1.416 175.979 174.900 -0.561 0.000 1.188 671 G CA 0.788 45.124 45.100 -1.272 0.000 0.783 671 G HN 0.442 nan 8.290 nan 0.000 0.537 672 A N 0.992 123.457 122.820 -0.592 0.000 1.883 672 A HA 0.113 4.433 4.320 0.000 0.000 0.217 672 A C 2.745 180.172 177.584 -0.262 0.000 1.186 672 A CA 2.218 53.988 52.037 -0.445 0.000 0.624 672 A CB -1.268 17.368 19.000 -0.606 0.000 0.822 672 A HN 0.623 nan 8.150 nan 0.000 0.444 673 G N -1.466 107.200 108.800 -0.222 0.000 2.469 673 G HA2 -0.332 3.628 3.960 0.000 0.000 0.220 673 G HA3 -0.332 3.628 3.960 0.000 0.000 0.220 673 G C 1.340 176.211 174.900 -0.049 0.000 1.136 673 G CA 1.299 46.321 45.100 -0.130 0.000 0.759 673 G HN 0.733 nan 8.290 nan 0.000 0.562 674 W N 1.148 122.325 121.300 -0.204 0.000 2.354 674 W HA 0.069 4.729 4.660 -0.000 0.000 0.315 674 W C 1.764 178.181 176.519 -0.169 0.000 1.206 674 W CA 1.004 58.257 57.345 -0.154 0.000 1.290 674 W CB -0.441 28.974 29.460 -0.075 0.000 1.152 674 W HN 0.092 nan 8.180 nan 0.000 0.489 675 L N 1.229 122.191 121.223 -0.434 0.000 2.653 675 L HA 0.140 4.480 4.340 0.000 0.000 0.232 675 L C 1.532 178.241 176.870 -0.268 0.000 1.169 675 L CA 0.852 55.322 54.840 -0.617 0.000 0.951 675 L CB -0.829 40.800 42.059 -0.716 0.000 1.181 675 L HN 0.103 nan 8.230 nan 0.000 0.460 676 T N -6.114 108.322 114.554 -0.197 0.000 3.429 676 T HA -0.013 4.337 4.350 0.000 0.000 0.212 676 T C 1.496 176.118 174.700 -0.130 0.000 0.980 676 T CA 0.702 62.729 62.100 -0.121 0.000 1.201 676 T CB -0.152 68.650 68.868 -0.109 0.000 1.289 676 T HN 0.091 nan 8.240 nan 0.000 0.346 677 T N -0.428 114.034 114.554 -0.154 0.000 3.022 677 T HA 0.315 4.665 4.350 0.000 0.000 0.250 677 T C 0.426 174.964 174.700 -0.269 0.000 1.060 677 T CA -0.191 61.801 62.100 -0.179 0.000 1.013 677 T CB -0.320 68.448 68.868 -0.168 0.000 0.982 677 T HN 0.437 nan 8.240 nan 0.000 0.508 678 E N 2.091 122.119 120.200 -0.288 0.000 2.070 678 E HA 0.288 4.638 4.350 0.000 0.000 0.282 678 E C -0.475 175.982 176.600 -0.239 0.000 1.104 678 E CA -0.058 56.072 56.400 -0.451 0.000 0.876 678 E CB 0.538 30.081 29.700 -0.263 0.000 1.055 678 E HN 0.482 nan 8.360 nan 0.000 0.401 679 E N 4.462 124.506 120.200 -0.259 0.000 2.241 679 E HA 0.221 4.571 4.350 0.000 0.000 0.263 679 E C -1.214 175.413 176.600 0.045 0.000 0.882 679 E CA -0.619 55.752 56.400 -0.050 0.000 0.769 679 E CB 1.002 30.665 29.700 -0.063 0.000 1.185 679 E HN 0.397 nan 8.360 nan 0.000 0.415 680 L N 4.125 125.415 121.223 0.111 0.000 2.290 680 L HA 0.398 4.738 4.340 0.000 0.000 0.284 680 L C -0.631 176.136 176.870 -0.171 0.000 1.078 680 L CA -0.690 54.114 54.840 -0.060 0.000 0.815 680 L CB 1.378 43.360 42.059 -0.128 0.000 1.162 680 L HN 0.314 nan 8.230 nan 0.000 0.435 681 V N 2.273 122.001 119.914 -0.311 0.000 2.487 681 V HA 0.406 4.526 4.120 0.000 0.000 0.298 681 V C -0.556 175.364 176.094 -0.289 0.000 1.028 681 V CA -0.726 61.484 62.300 -0.150 0.000 0.860 681 V CB 1.655 33.447 31.823 -0.050 0.000 0.991 681 V HN 0.608 nan 8.190 nan 0.000 0.427 682 W N 2.863 124.196 121.300 0.054 0.000 2.570 682 W HA 0.448 5.108 4.660 -0.000 0.000 0.337 682 W C -0.071 176.471 176.519 0.039 0.000 1.067 682 W CA -0.455 56.916 57.345 0.044 0.000 1.229 682 W CB 2.214 31.697 29.460 0.039 0.000 1.355 682 W HN 0.749 nan 8.180 nan 0.000 0.555 683 D N -0.186 120.343 120.400 0.215 0.000 2.511 683 D HA -0.027 4.613 4.640 0.000 0.000 0.276 683 D C 1.576 177.941 176.300 0.109 0.000 1.220 683 D CA -0.035 54.052 54.000 0.145 0.000 1.077 683 D CB -0.137 40.697 40.800 0.057 0.000 1.126 683 D HN 0.515 nan 8.370 nan 0.000 0.583 684 H N -1.124 117.997 119.070 0.085 0.000 2.518 684 H HA -0.067 4.489 4.556 0.000 0.000 0.292 684 H C 1.018 176.376 175.328 0.050 0.000 1.068 684 H CA 1.113 57.197 56.048 0.060 0.000 1.275 684 H CB -0.906 28.880 29.762 0.040 0.000 1.375 684 H HN 0.452 nan 8.280 nan 0.000 0.563 685 C N -1.535 117.617 119.300 -0.248 0.000 2.976 685 C HA 0.764 5.224 4.460 0.000 0.000 0.274 685 C C 1.751 176.707 174.990 -0.056 0.000 1.487 685 C CA -0.192 58.736 59.018 -0.149 0.000 1.789 685 C CB -0.371 27.233 27.740 -0.227 0.000 2.771 685 C HN 0.724 nan 8.230 nan 0.000 0.551 686 G N 1.507 110.328 108.800 0.034 0.000 2.179 686 G HA2 -0.238 3.722 3.960 0.000 0.000 0.260 686 G HA3 -0.238 3.722 3.960 0.000 0.000 0.260 686 G C 0.153 175.243 174.900 0.316 0.000 0.977 686 G CA -0.031 45.151 45.100 0.137 0.000 0.641 686 G HN 0.736 nan 8.290 nan 0.000 0.533 687 R N -0.166 120.435 120.500 0.169 0.000 2.401 687 R HA 0.400 4.740 4.340 0.000 0.000 0.299 687 R C 0.289 176.678 176.300 0.148 0.000 1.064 687 R CA -0.641 55.540 56.100 0.136 0.000 1.000 687 R CB 0.864 31.176 30.300 0.020 0.000 0.973 687 R HN 0.222 nan 8.270 nan 0.000 0.438 688 L N 3.921 125.184 121.223 0.067 0.000 2.433 688 L HA -0.005 4.335 4.340 0.000 0.000 0.275 688 L C 0.835 177.679 176.870 -0.043 0.000 1.128 688 L CA 0.448 55.149 54.840 -0.232 0.000 0.875 688 L CB 0.699 42.629 42.059 -0.215 0.000 1.171 688 L HN 0.669 nan 8.230 nan 0.000 0.463 689 M N 2.120 121.631 119.600 -0.148 0.000 2.216 689 M HA 0.050 4.530 4.480 0.000 0.000 0.264 689 M C 1.120 177.278 176.300 -0.238 0.000 1.080 689 M CA 1.088 56.319 55.300 -0.113 0.000 1.153 689 M CB -0.727 31.828 32.600 -0.076 0.000 1.356 689 M HN 0.711 nan 8.290 nan 0.000 0.432 690 T N -0.138 114.289 114.554 -0.212 0.000 3.185 690 T HA 0.137 4.487 4.350 0.000 0.000 0.287 690 T C 0.445 175.071 174.700 -0.124 0.000 1.051 690 T CA -0.340 61.670 62.100 -0.149 0.000 1.051 690 T CB -0.946 67.916 68.868 -0.011 0.000 1.034 690 T HN 0.597 nan 8.240 nan 0.000 0.685 691 H N 0.778 119.819 119.070 -0.049 0.000 2.567 691 H HA 0.661 5.217 4.556 0.000 0.000 0.267 691 H C -0.106 175.204 175.328 -0.030 0.000 1.148 691 H CA -0.850 55.156 56.048 -0.070 0.000 1.031 691 H CB 0.088 29.802 29.762 -0.080 0.000 1.691 691 H HN 0.683 nan 8.280 nan 0.000 0.588 692 A N 1.758 124.614 122.820 0.060 0.000 2.610 692 A HA 0.409 4.729 4.320 0.000 0.000 0.291 692 A C -2.343 175.379 177.584 0.231 0.000 1.086 692 A CA -1.336 50.776 52.037 0.126 0.000 0.677 692 A CB 1.552 20.619 19.000 0.112 0.000 1.278 692 A HN -0.033 nan 8.150 nan 0.000 0.414 693 P HA -0.055 nan 4.420 nan 0.000 0.231 693 P C 1.138 178.535 177.300 0.163 0.000 1.158 693 P CA 1.470 64.798 63.100 0.379 0.000 0.763 693 P CB 0.092 32.090 31.700 0.496 0.000 0.805 694 S N -0.502 115.265 115.700 0.111 0.000 2.442 694 S HA -0.068 4.402 4.470 0.000 0.000 0.236 694 S C 1.629 176.239 174.600 0.016 0.000 1.007 694 S CA 1.940 60.167 58.200 0.046 0.000 0.965 694 S CB -0.710 62.505 63.200 0.024 0.000 0.773 694 S HN 0.454 nan 8.310 nan 0.000 0.504 695 T N -3.434 111.135 114.554 0.026 0.000 2.993 695 T HA 0.248 4.598 4.350 0.000 0.000 0.260 695 T C -0.117 174.608 174.700 0.042 0.000 0.939 695 T CA -0.383 61.713 62.100 -0.006 0.000 0.886 695 T CB -0.168 68.654 68.868 -0.076 0.000 1.209 695 T HN 0.257 nan 8.240 nan 0.000 0.518 696 Y N 3.290 123.585 120.300 -0.008 0.000 2.342 696 Y HA 0.550 5.100 4.550 -0.000 0.000 0.338 696 Y C -0.861 175.012 175.900 -0.044 0.000 0.965 696 Y CA -1.177 56.926 58.100 0.005 0.000 1.159 696 Y CB 0.840 39.359 38.460 0.098 0.000 1.157 696 Y HN -0.188 nan 8.280 nan 0.000 0.486 697 K N 8.864 128.977 120.400 -0.479 0.000 2.354 697 K HA 0.259 4.579 4.320 0.000 0.000 0.257 697 K C -0.186 176.145 176.600 -0.447 0.000 1.062 697 K CA -0.474 55.597 56.287 -0.359 0.000 0.971 697 K CB 0.561 32.918 32.500 -0.237 0.000 1.305 697 K HN 0.678 nan 8.250 nan 0.000 0.449 698 I N -0.402 119.924 120.570 -0.407 0.000 2.886 698 I HA 0.380 4.550 4.170 0.000 0.000 0.299 698 I C -2.161 173.817 176.117 -0.233 0.000 1.044 698 I CA -2.422 58.688 61.300 -0.317 0.000 1.310 698 I CB -0.449 37.321 38.000 -0.383 0.000 1.441 698 I HN 0.160 nan 8.210 nan 0.000 0.578 699 P HA 0.150 nan 4.420 nan 0.000 0.260 699 P C -0.436 176.803 177.300 -0.102 0.000 1.185 699 P CA 0.257 63.284 63.100 -0.121 0.000 0.763 699 P CB 0.208 31.848 31.700 -0.100 0.000 0.776 700 A N 3.253 126.035 122.820 -0.063 0.000 2.252 700 A HA 0.372 4.692 4.320 0.000 0.000 0.305 700 A C 1.032 178.654 177.584 0.064 0.000 1.097 700 A CA -0.571 51.463 52.037 -0.005 0.000 0.849 700 A CB -0.040 18.964 19.000 0.007 0.000 1.142 700 A HN 0.529 nan 8.150 nan 0.000 0.499 701 F N 0.849 120.794 119.950 -0.009 0.000 2.043 701 F HA -0.274 4.253 4.527 0.000 0.000 0.297 701 F C 2.878 178.686 175.800 0.015 0.000 1.121 701 F CA 2.711 60.718 58.000 0.012 0.000 1.199 701 F CB 0.018 39.027 39.000 0.016 0.000 0.968 701 F HN 0.614 nan 8.300 nan 0.000 0.478 702 S N -0.068 115.831 115.700 0.332 0.000 2.407 702 S HA -0.265 4.205 4.470 0.000 0.000 0.235 702 S C 1.536 176.210 174.600 0.124 0.000 1.036 702 S CA 1.938 60.255 58.200 0.195 0.000 1.013 702 S CB -0.740 62.515 63.200 0.092 0.000 0.820 702 S HN 0.480 nan 8.310 nan 0.000 0.476 703 D N 1.767 122.212 120.400 0.076 0.000 2.378 703 D HA -0.011 4.629 4.640 0.000 0.000 0.227 703 D C 0.697 177.007 176.300 0.015 0.000 1.012 703 D CA 0.286 54.298 54.000 0.020 0.000 0.905 703 D CB -0.359 40.430 40.800 -0.018 0.000 0.895 703 D HN 0.736 nan 8.370 nan 0.000 0.532 704 R N 1.222 121.754 120.500 0.053 0.000 2.537 704 R HA 0.270 4.610 4.340 0.000 0.000 0.280 704 R C -2.553 173.749 176.300 0.004 0.000 1.058 704 R CA -1.364 54.774 56.100 0.063 0.000 1.057 704 R CB -0.626 29.746 30.300 0.121 0.000 0.973 704 R HN -0.224 nan 8.270 nan 0.000 0.438 705 P HA -0.005 nan 4.420 nan 0.000 0.258 705 P C -0.199 177.017 177.300 -0.140 0.000 1.214 705 P CA 0.197 63.151 63.100 -0.244 0.000 0.872 705 P CB 0.345 31.655 31.700 -0.649 0.000 0.890 706 R N 2.495 122.964 120.500 -0.051 0.000 2.377 706 R HA 0.055 4.395 4.340 0.000 0.000 0.207 706 R C 0.480 176.788 176.300 0.014 0.000 1.075 706 R CA 0.620 56.727 56.100 0.011 0.000 1.035 706 R CB -0.194 30.115 30.300 0.015 0.000 0.857 706 R HN 0.492 nan 8.270 nan 0.000 0.475 707 I N 0.263 120.818 120.570 -0.026 0.000 2.448 707 I HA 0.183 4.353 4.170 0.000 0.000 0.281 707 I C -0.993 175.124 176.117 -0.001 0.000 1.027 707 I CA -0.460 60.843 61.300 0.006 0.000 1.111 707 I CB 1.464 39.457 38.000 -0.013 0.000 1.236 707 I HN -0.104 nan 8.210 nan 0.000 0.452 708 F N 5.825 125.755 119.950 -0.033 0.000 2.347 708 F HA 0.414 4.941 4.527 0.000 0.000 0.366 708 F C -0.116 175.650 175.800 -0.056 0.000 1.107 708 F CA -0.702 57.261 58.000 -0.061 0.000 1.058 708 F CB 0.914 39.887 39.000 -0.045 0.000 1.236 708 F HN 0.424 nan 8.300 nan 0.000 0.456 709 N N 4.287 123.144 118.700 0.262 0.000 2.776 709 N HA 0.263 5.003 4.740 0.000 0.000 0.245 709 N C -1.181 174.392 175.510 0.105 0.000 1.121 709 N CA -0.181 52.946 53.050 0.128 0.000 0.852 709 N CB 1.699 40.225 38.487 0.066 0.000 1.142 709 N HN 0.129 nan 8.380 nan 0.000 0.514 710 V N 1.245 121.200 119.914 0.069 0.000 2.383 710 V HA 0.764 4.884 4.120 0.000 0.000 0.275 710 V C 0.329 176.442 176.094 0.031 0.000 1.036 710 V CA -0.612 61.707 62.300 0.032 0.000 0.889 710 V CB 0.873 32.665 31.823 -0.051 0.000 0.985 710 V HN 0.575 nan 8.190 nan 0.000 0.459 711 A N 5.812 128.670 122.820 0.064 0.000 2.354 711 A HA 0.913 5.233 4.320 0.000 0.000 0.321 711 A C -0.868 176.790 177.584 0.123 0.000 1.125 711 A CA -0.715 51.370 52.037 0.080 0.000 0.799 711 A CB 1.199 20.252 19.000 0.088 0.000 1.293 711 A HN 0.746 nan 8.150 nan 0.000 0.452 712 L N 0.863 122.160 121.223 0.123 0.000 2.331 712 L HA 0.351 4.691 4.340 0.000 0.000 0.275 712 L C -0.496 176.505 176.870 0.218 0.000 1.022 712 L CA -0.483 54.456 54.840 0.165 0.000 0.812 712 L CB 1.566 43.692 42.059 0.112 0.000 1.257 712 L HN 0.826 nan 8.230 nan 0.000 0.435 713 W N 3.914 125.229 121.300 0.025 0.000 2.416 713 W HA 0.131 4.791 4.660 0.000 0.000 0.318 713 W C -0.650 175.872 176.519 0.005 0.000 1.150 713 W CA -0.385 56.962 57.345 0.003 0.000 1.392 713 W CB 1.177 30.629 29.460 -0.014 0.000 1.311 713 W HN 0.516 nan 8.180 nan 0.000 0.436 714 D N 4.817 125.055 120.400 -0.270 0.000 2.494 714 D HA 0.094 4.734 4.640 0.000 0.000 0.217 714 D C -0.687 175.402 176.300 -0.353 0.000 1.153 714 D CA 0.513 54.379 54.000 -0.224 0.000 0.954 714 D CB 0.420 41.122 40.800 -0.164 0.000 1.034 714 D HN 0.378 nan 8.370 nan 0.000 0.518 715 Q N 3.176 122.825 119.800 -0.252 0.000 2.331 715 Q HA 0.297 4.637 4.340 0.000 0.000 0.249 715 Q C -2.620 173.346 176.000 -0.057 0.000 0.913 715 Q CA -2.018 53.656 55.803 -0.215 0.000 0.874 715 Q CB 1.796 30.331 28.738 -0.340 0.000 1.384 715 Q HN 0.176 nan 8.270 nan 0.000 0.427 716 P HA -0.108 nan 4.420 nan 0.000 0.266 716 P C -0.676 176.610 177.300 -0.023 0.000 1.186 716 P CA 0.150 63.233 63.100 -0.028 0.000 0.767 716 P CB 0.505 32.188 31.700 -0.028 0.000 0.820 717 N N 2.504 121.169 118.700 -0.059 0.000 2.483 717 N HA -0.009 4.731 4.740 0.000 0.000 0.264 717 N C 1.284 176.747 175.510 -0.078 0.000 1.197 717 N CA 0.174 53.156 53.050 -0.114 0.000 0.927 717 N CB 0.336 38.657 38.487 -0.278 0.000 1.065 717 N HN 0.230 nan 8.380 nan 0.000 0.461 718 R N 1.133 121.608 120.500 -0.042 0.000 2.159 718 R HA -0.059 4.281 4.340 0.000 0.000 0.237 718 R C -0.029 176.255 176.300 -0.027 0.000 1.131 718 R CA 0.997 57.091 56.100 -0.011 0.000 0.982 718 R CB 0.189 30.510 30.300 0.035 0.000 0.868 718 R HN 0.631 nan 8.270 nan 0.000 0.453 719 E N 0.331 120.486 120.200 -0.076 0.000 2.232 719 E HA 0.082 4.432 4.350 0.000 0.000 0.265 719 E C -0.522 176.029 176.600 -0.082 0.000 1.001 719 E CA -0.275 56.091 56.400 -0.057 0.000 0.870 719 E CB 1.079 30.759 29.700 -0.033 0.000 1.175 719 E HN 0.032 nan 8.360 nan 0.000 0.407 720 E N 1.060 121.235 120.200 -0.041 0.000 2.545 720 E HA 0.021 4.371 4.350 0.000 0.000 0.271 720 E C 0.049 176.596 176.600 -0.088 0.000 1.508 720 E CA -0.150 56.216 56.400 -0.057 0.000 1.774 720 E CB -0.135 29.549 29.700 -0.026 0.000 1.460 720 E HN 0.398 nan 8.360 nan 0.000 0.449 721 T N -1.824 112.659 114.554 -0.119 0.000 2.766 721 T HA 0.077 4.427 4.350 0.000 0.000 0.295 721 T C 0.601 175.194 174.700 -0.178 0.000 1.024 721 T CA -0.905 61.112 62.100 -0.138 0.000 1.018 721 T CB 0.805 69.583 68.868 -0.150 0.000 1.002 721 T HN 0.056 nan 8.240 nan 0.000 0.532 722 I N 2.458 122.907 120.570 -0.201 0.000 2.872 722 I HA 0.104 4.274 4.170 0.000 0.000 0.287 722 I C 0.199 176.298 176.117 -0.029 0.000 1.197 722 I CA -0.563 60.619 61.300 -0.196 0.000 1.390 722 I CB -1.726 36.194 38.000 -0.134 0.000 1.400 722 I HN 0.753 nan 8.210 nan 0.000 0.544 723 F N 6.803 126.697 119.950 -0.093 0.000 3.056 723 F HA -0.349 4.178 4.527 -0.000 0.000 0.266 723 F C 1.167 176.922 175.800 -0.075 0.000 0.957 723 F CA 1.033 58.990 58.000 -0.072 0.000 0.894 723 F CB -1.392 37.572 39.000 -0.059 0.000 0.832 723 F HN 0.667 nan 8.300 nan 0.000 0.745 724 R N -2.046 118.450 120.500 -0.007 0.000 3.502 724 R HA -0.218 4.122 4.340 0.000 0.000 0.266 724 R C 0.485 176.755 176.300 -0.050 0.000 1.077 724 R CA 0.695 56.762 56.100 -0.055 0.000 0.718 724 R CB -2.598 27.677 30.300 -0.041 0.000 1.120 724 R HN 0.502 nan 8.270 nan 0.000 0.457 725 S N -0.151 115.533 115.700 -0.025 0.000 2.655 725 S HA 0.520 4.990 4.470 0.000 0.000 0.265 725 S C 0.325 174.882 174.600 -0.070 0.000 1.240 725 S CA -0.736 57.460 58.200 -0.007 0.000 0.986 725 S CB 2.064 65.290 63.200 0.043 0.000 0.985 725 S HN 0.239 nan 8.310 nan 0.000 0.562 726 K N -0.167 120.249 120.400 0.026 0.000 2.238 726 K HA 0.658 4.978 4.320 0.000 0.000 0.239 726 K C -0.456 176.297 176.600 0.254 0.000 0.987 726 K CA -0.913 55.459 56.287 0.142 0.000 0.857 726 K CB 1.851 34.477 32.500 0.210 0.000 1.154 726 K HN 0.788 nan 8.250 nan 0.000 0.439 727 A N 0.955 124.006 122.820 0.385 0.000 2.401 727 A HA 0.211 4.531 4.320 0.000 0.000 0.259 727 A C 0.263 177.970 177.584 0.205 0.000 1.103 727 A CA -0.202 51.964 52.037 0.214 0.000 0.789 727 A CB 0.535 19.607 19.000 0.120 0.000 1.035 727 A HN 0.460 nan 8.150 nan 0.000 0.491 728 V N 3.095 123.092 119.914 0.138 0.000 3.199 728 V HA 0.246 4.366 4.120 0.000 0.000 0.331 728 V C 1.402 177.513 176.094 0.028 0.000 1.446 728 V CA 0.863 63.236 62.300 0.121 0.000 1.120 728 V CB 0.093 31.990 31.823 0.123 0.000 1.051 728 V HN 1.082 nan 8.190 nan 0.000 0.495 729 G N 0.082 108.894 108.800 0.019 0.000 2.425 729 G HA2 -0.095 3.865 3.960 0.000 0.000 0.213 729 G HA3 -0.095 3.865 3.960 0.000 0.000 0.213 729 G C 1.146 176.024 174.900 -0.037 0.000 1.201 729 G CA 1.041 46.133 45.100 -0.013 0.000 0.799 729 G HN 0.551 nan 8.290 nan 0.000 0.534 730 E N 0.386 120.531 120.200 -0.092 0.000 2.162 730 E HA 0.019 4.369 4.350 0.000 0.000 0.193 730 E C -0.293 176.039 176.600 -0.446 0.000 0.953 730 E CA 0.098 56.341 56.400 -0.263 0.000 0.849 730 E CB 0.095 29.587 29.700 -0.347 0.000 0.810 730 E HN 0.275 nan 8.360 nan 0.000 0.470 731 P HA -0.146 nan 4.420 nan 0.000 0.217 731 P C -1.721 175.537 177.300 -0.069 0.000 1.148 731 P CA 1.840 64.778 63.100 -0.270 0.000 0.828 731 P CB -0.997 30.829 31.700 0.210 0.000 0.783 732 P HA -0.033 nan 4.420 nan 0.000 0.249 732 P C 1.462 178.757 177.300 -0.008 0.000 1.229 732 P CA 0.115 63.085 63.100 -0.216 0.000 0.788 732 P CB -0.593 30.813 31.700 -0.490 0.000 1.072 733 F N 1.237 121.108 119.950 -0.132 0.000 2.186 733 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 733 F C 1.694 177.469 175.800 -0.041 0.000 1.090 733 F CA 1.182 59.132 58.000 -0.083 0.000 1.307 733 F CB -0.565 38.352 39.000 -0.139 0.000 1.019 733 F HN -0.277 nan 8.300 nan 0.000 0.489 734 L N 0.230 121.517 121.223 0.107 0.000 2.549 734 L HA -0.126 4.214 4.340 0.000 0.000 0.229 734 L C 1.901 178.821 176.870 0.083 0.000 1.158 734 L CA 0.834 55.740 54.840 0.110 0.000 0.842 734 L CB -0.699 41.424 42.059 0.106 0.000 0.952 734 L HN 0.216 nan 8.230 nan 0.000 0.452 735 L N -1.160 120.112 121.223 0.080 0.000 2.275 735 L HA -0.081 4.259 4.340 0.000 0.000 0.215 735 L C 2.543 179.514 176.870 0.168 0.000 1.119 735 L CA 0.954 55.892 54.840 0.164 0.000 0.790 735 L CB -1.103 41.098 42.059 0.236 0.000 0.919 735 L HN 0.382 nan 8.230 nan 0.000 0.443 736 G N 0.597 109.347 108.800 -0.083 0.000 2.450 736 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 736 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 736 G C 1.575 176.403 174.900 -0.121 0.000 1.130 736 G CA 0.510 45.411 45.100 -0.332 0.000 0.760 736 G HN 0.324 nan 8.290 nan 0.000 0.557 737 I N 0.870 121.443 120.570 0.005 0.000 2.300 737 I HA -0.235 3.935 4.170 0.000 0.000 0.252 737 I C 2.927 179.130 176.117 0.143 0.000 1.119 737 I CA 1.197 62.555 61.300 0.098 0.000 1.384 737 I CB -0.239 37.850 38.000 0.148 0.000 1.062 737 I HN 0.227 nan 8.210 nan 0.000 0.426 738 S N 0.417 116.196 115.700 0.132 0.000 2.370 738 S HA -0.194 4.276 4.470 0.000 0.000 0.226 738 S C 2.182 176.854 174.600 0.121 0.000 1.033 738 S CA 1.515 59.799 58.200 0.140 0.000 1.011 738 S CB -0.131 63.168 63.200 0.164 0.000 0.852 738 S HN 0.546 nan 8.310 nan 0.000 0.457 739 A N 0.003 122.884 122.820 0.102 0.000 1.969 739 A HA 0.022 4.342 4.320 0.000 0.000 0.218 739 A C 1.883 179.503 177.584 0.060 0.000 1.169 739 A CA 1.279 53.346 52.037 0.051 0.000 0.635 739 A CB -0.777 18.192 19.000 -0.053 0.000 0.810 739 A HN 0.636 nan 8.150 nan 0.000 0.445 740 F N 0.209 120.115 119.950 -0.074 0.000 2.128 740 F HA -0.063 4.464 4.527 -0.000 0.000 0.295 740 F C 1.725 177.517 175.800 -0.014 0.000 1.100 740 F CA 1.180 59.135 58.000 -0.076 0.000 1.260 740 F CB -0.248 38.681 39.000 -0.118 0.000 1.009 740 F HN 0.124 nan 8.300 nan 0.000 0.476 741 L N 0.565 121.755 121.223 -0.054 0.000 2.083 741 L HA -0.072 4.268 4.340 0.000 0.000 0.209 741 L C 2.715 179.571 176.870 -0.023 0.000 1.083 741 L CA 1.748 56.544 54.840 -0.073 0.000 0.752 741 L CB -2.031 40.060 42.059 0.054 0.000 0.899 741 L HN 0.255 nan 8.230 nan 0.000 0.433 742 A N -1.205 121.609 122.820 -0.010 0.000 1.933 742 A HA -0.172 4.148 4.320 0.000 0.000 0.218 742 A C 2.252 179.789 177.584 -0.079 0.000 1.175 742 A CA 1.376 53.404 52.037 -0.015 0.000 0.628 742 A CB -0.599 18.409 19.000 0.012 0.000 0.814 742 A HN 0.313 nan 8.150 nan 0.000 0.444 743 L N -0.824 120.330 121.223 -0.116 0.000 2.109 743 L HA -0.066 4.274 4.340 0.000 0.000 0.207 743 L C 2.354 179.089 176.870 -0.226 0.000 1.086 743 L CA 2.464 57.214 54.840 -0.150 0.000 0.760 743 L CB -0.914 41.068 42.059 -0.128 0.000 0.910 743 L HN 0.723 nan 8.230 nan 0.000 0.437 744 H N -1.390 117.430 119.070 -0.416 0.000 2.389 744 H HA -0.175 4.381 4.556 0.000 0.000 0.299 744 H C 1.933 177.092 175.328 -0.282 0.000 1.081 744 H CA 2.037 57.819 56.048 -0.444 0.000 1.345 744 H CB -0.152 29.250 29.762 -0.599 0.000 1.393 744 H HN 0.435 nan 8.280 nan 0.000 0.520 745 D N 0.077 120.194 120.400 -0.472 0.000 2.117 745 D HA -0.133 4.507 4.640 0.000 0.000 0.197 745 D C 2.270 178.396 176.300 -0.290 0.000 0.987 745 D CA 1.562 55.327 54.000 -0.393 0.000 0.829 745 D CB -0.513 40.209 40.800 -0.129 0.000 0.961 745 D HN 0.527 nan 8.370 nan 0.000 0.460 746 A N -0.476 122.218 122.820 -0.210 0.000 1.978 746 A HA -0.191 4.129 4.320 0.000 0.000 0.220 746 A C 2.499 179.991 177.584 -0.153 0.000 1.170 746 A CA 1.583 53.537 52.037 -0.137 0.000 0.636 746 A CB -0.939 18.001 19.000 -0.100 0.000 0.810 746 A HN 0.521 nan 8.150 nan 0.000 0.448 747 C N -1.420 117.740 119.300 -0.234 0.000 2.486 747 C HA 0.225 4.685 4.460 0.000 0.000 0.279 747 C C 3.225 178.075 174.990 -0.233 0.000 1.302 747 C CA 0.332 59.219 59.018 -0.220 0.000 1.720 747 C CB -1.210 26.376 27.740 -0.256 0.000 2.030 747 C HN 0.722 nan 8.230 nan 0.000 0.490 748 A N 0.595 123.202 122.820 -0.355 0.000 2.084 748 A HA 0.010 4.330 4.320 0.000 0.000 0.221 748 A C 2.192 179.686 177.584 -0.150 0.000 1.161 748 A CA 1.984 53.855 52.037 -0.277 0.000 0.653 748 A CB -0.529 18.249 19.000 -0.369 0.000 0.802 748 A HN 0.618 nan 8.150 nan 0.000 0.457 749 A N -1.566 121.175 122.820 -0.131 0.000 2.072 749 A HA 0.066 4.386 4.320 0.000 0.000 0.216 749 A C 2.134 179.685 177.584 -0.055 0.000 1.156 749 A CA 1.171 53.163 52.037 -0.075 0.000 0.701 749 A CB -0.829 18.142 19.000 -0.048 0.000 0.816 749 A HN 0.604 nan 8.150 nan 0.000 0.458 750 C N -0.885 118.378 119.300 -0.062 0.000 2.508 750 C HA 0.391 4.851 4.460 0.000 0.000 0.280 750 C C 1.732 176.705 174.990 -0.029 0.000 1.262 750 C CA 0.296 59.288 59.018 -0.043 0.000 1.706 750 C CB -1.227 26.485 27.740 -0.046 0.000 2.078 750 C HN 0.621 nan 8.230 nan 0.000 0.480 751 G N -0.371 108.416 108.800 -0.021 0.000 2.816 751 G HA2 0.571 4.531 3.960 0.000 0.000 0.288 751 G HA3 0.571 4.531 3.960 0.000 0.000 0.288 751 G C -2.565 172.328 174.900 -0.013 0.000 1.334 751 G CA -0.425 44.679 45.100 0.006 0.000 0.978 751 G HN 0.112 nan 8.290 nan 0.000 0.493 752 P HA 0.198 nan 4.420 nan 0.000 0.258 752 P C -0.273 176.907 177.300 -0.199 0.000 1.416 752 P CA 0.038 63.064 63.100 -0.123 0.000 0.927 752 P CB 0.026 31.626 31.700 -0.167 0.000 1.444 753 H N -0.982 118.104 119.070 0.027 0.000 2.525 753 H HA 0.129 4.685 4.556 0.000 0.000 0.340 753 H C -0.234 175.160 175.328 0.110 0.000 1.168 753 H CA -0.640 55.450 56.048 0.070 0.000 1.247 753 H CB 1.334 31.129 29.762 0.056 0.000 1.568 753 H HN 0.183 nan 8.280 nan 0.000 0.536 754 W N 4.721 126.087 121.300 0.109 0.000 2.397 754 W HA 0.040 4.700 4.660 -0.000 0.000 0.327 754 W C -2.159 174.407 176.519 0.078 0.000 1.421 754 W CA -1.457 55.916 57.345 0.047 0.000 1.288 754 W CB 0.534 29.992 29.460 -0.004 0.000 1.312 754 W HN 0.513 nan 8.180 nan 0.000 0.559 755 P HA -0.152 nan 4.420 nan 0.000 0.222 755 P C -0.022 176.964 177.300 -0.524 0.000 1.153 755 P CA 1.273 64.107 63.100 -0.443 0.000 0.798 755 P CB 0.065 31.514 31.700 -0.418 0.000 0.796 756 D N -1.404 118.340 120.400 -1.093 0.000 2.802 756 D HA -0.176 4.464 4.640 0.000 0.000 0.229 756 D C -0.510 175.693 176.300 -0.162 0.000 1.203 756 D CA 0.173 53.894 54.000 -0.465 0.000 0.712 756 D CB -1.186 39.656 40.800 0.070 0.000 0.973 756 D HN -0.009 nan 8.370 nan 0.000 0.407 757 L N 1.298 122.386 121.223 -0.224 0.000 2.416 757 L HA 0.247 4.587 4.340 0.000 0.000 0.272 757 L C 0.539 177.543 176.870 0.222 0.000 1.161 757 L CA 0.417 55.227 54.840 -0.050 0.000 0.845 757 L CB 0.873 42.819 42.059 -0.188 0.000 1.119 757 L HN 0.113 nan 8.230 nan 0.000 0.464 758 Q N 3.283 123.239 119.800 0.260 0.000 2.166 758 Q HA 0.744 5.084 4.340 0.000 0.000 0.226 758 Q C -0.897 175.278 176.000 0.292 0.000 0.989 758 Q CA -0.450 55.543 55.803 0.317 0.000 0.966 758 Q CB 1.485 30.328 28.738 0.175 0.000 1.173 758 Q HN 0.790 nan 8.270 nan 0.000 0.509 759 A N 1.709 124.562 122.820 0.055 0.000 2.343 759 A HA 0.653 4.973 4.320 0.000 0.000 0.308 759 A C -2.424 175.042 177.584 -0.198 0.000 1.092 759 A CA -1.471 50.412 52.037 -0.257 0.000 0.751 759 A CB 1.071 19.705 19.000 -0.609 0.000 1.203 759 A HN 0.383 nan 8.150 nan 0.000 0.452 760 P HA 0.345 nan 4.420 nan 0.000 0.277 760 P C -0.157 177.106 177.300 -0.062 0.000 1.240 760 P CA -0.150 62.815 63.100 -0.225 0.000 0.798 760 P CB 1.369 32.950 31.700 -0.199 0.000 0.979 761 A N 2.056 124.882 122.820 0.011 0.000 3.056 761 A HA 0.342 4.662 4.320 0.000 0.000 0.274 761 A C 0.934 178.518 177.584 -0.002 0.000 1.661 761 A CA -0.256 51.827 52.037 0.077 0.000 1.363 761 A CB -1.434 17.676 19.000 0.184 0.000 1.139 761 A HN 0.593 nan 8.150 nan 0.000 0.598 762 T N -0.610 113.929 114.554 -0.025 0.000 2.899 762 T HA 0.324 4.674 4.350 0.000 0.000 0.295 762 T C -1.201 173.481 174.700 -0.030 0.000 1.033 762 T CA -1.284 60.790 62.100 -0.043 0.000 1.084 762 T CB 0.745 69.583 68.868 -0.051 0.000 0.979 762 T HN 0.240 nan 8.240 nan 0.000 0.532 763 P HA -0.286 nan 4.420 nan 0.000 0.222 763 P C 1.325 178.611 177.300 -0.023 0.000 1.157 763 P CA 1.794 64.877 63.100 -0.029 0.000 0.905 763 P CB 0.082 31.764 31.700 -0.030 0.000 0.792 764 E N -0.381 119.807 120.200 -0.020 0.000 2.038 764 E HA -0.205 4.145 4.350 0.000 0.000 0.195 764 E C 2.104 178.699 176.600 -0.009 0.000 1.000 764 E CA 1.480 57.872 56.400 -0.013 0.000 0.803 764 E CB -0.581 29.113 29.700 -0.010 0.000 0.750 764 E HN 0.119 nan 8.360 nan 0.000 0.448 765 A N 0.384 123.202 122.820 -0.003 0.000 1.940 765 A HA -0.146 4.174 4.320 0.000 0.000 0.219 765 A C 2.381 179.962 177.584 -0.004 0.000 1.176 765 A CA 1.497 53.540 52.037 0.009 0.000 0.631 765 A CB -0.579 18.438 19.000 0.028 0.000 0.814 765 A HN 0.241 nan 8.150 nan 0.000 0.446 766 V N -0.186 119.718 119.914 -0.016 0.000 2.270 766 V HA -0.240 3.880 4.120 0.000 0.000 0.245 766 V C 2.505 178.573 176.094 -0.043 0.000 1.043 766 V CA 1.905 64.182 62.300 -0.038 0.000 1.014 766 V CB -0.819 30.980 31.823 -0.040 0.000 0.645 766 V HN 0.674 nan 8.190 nan 0.000 0.447 767 L N 0.515 121.720 121.223 -0.031 0.000 2.079 767 L HA -0.167 4.173 4.340 0.000 0.000 0.210 767 L C 2.469 179.322 176.870 -0.029 0.000 1.081 767 L CA 2.068 56.890 54.840 -0.029 0.000 0.752 767 L CB -0.554 41.492 42.059 -0.021 0.000 0.896 767 L HN 0.274 nan 8.230 nan 0.000 0.433 768 A N -0.122 122.684 122.820 -0.023 0.000 1.908 768 A HA -0.175 4.145 4.320 0.000 0.000 0.218 768 A C 2.439 180.002 177.584 -0.035 0.000 1.181 768 A CA 1.829 53.855 52.037 -0.019 0.000 0.627 768 A CB -1.026 17.971 19.000 -0.004 0.000 0.818 768 A HN 0.627 nan 8.150 nan 0.000 0.445 769 A N -0.663 122.126 122.820 -0.052 0.000 1.897 769 A HA 0.090 4.410 4.320 0.000 0.000 0.215 769 A C 2.218 179.744 177.584 -0.097 0.000 1.181 769 A CA 1.533 53.514 52.037 -0.093 0.000 0.620 769 A CB -0.899 18.026 19.000 -0.125 0.000 0.821 769 A HN 0.359 nan 8.150 nan 0.000 0.443 770 V N 0.609 120.476 119.914 -0.078 0.000 2.231 770 V HA -0.314 3.806 4.120 0.000 0.000 0.248 770 V C 2.711 178.776 176.094 -0.048 0.000 1.054 770 V CA 2.252 64.513 62.300 -0.066 0.000 1.015 770 V CB -0.873 30.920 31.823 -0.051 0.000 0.638 770 V HN 0.492 nan 8.190 nan 0.000 0.444 771 R N -0.092 120.384 120.500 -0.039 0.000 2.119 771 R HA -0.190 4.150 4.340 0.000 0.000 0.246 771 R C 2.428 178.707 176.300 -0.036 0.000 1.146 771 R CA 1.766 57.847 56.100 -0.031 0.000 0.962 771 R CB -0.639 29.645 30.300 -0.027 0.000 0.863 771 R HN 0.536 nan 8.270 nan 0.000 0.442 772 R N 0.026 120.500 120.500 -0.043 0.000 2.081 772 R HA -0.073 4.267 4.340 0.000 0.000 0.235 772 R C 2.368 178.657 176.300 -0.018 0.000 1.131 772 R CA 1.413 57.485 56.100 -0.046 0.000 0.960 772 R CB -0.403 29.869 30.300 -0.047 0.000 0.856 772 R HN 0.223 nan 8.270 nan 0.000 0.436 773 A N 1.478 124.292 122.820 -0.010 0.000 1.877 773 A HA -0.196 4.124 4.320 0.000 0.000 0.216 773 A C 1.821 179.468 177.584 0.105 0.000 1.186 773 A CA 1.457 53.522 52.037 0.046 0.000 0.620 773 A CB -0.366 18.611 19.000 -0.038 0.000 0.822 773 A HN 0.343 nan 8.150 nan 0.000 0.443 774 E N -1.103 119.122 120.200 0.043 0.000 2.409 774 E HA 0.203 4.553 4.350 0.000 0.000 0.198 774 E C 0.821 177.458 176.600 0.061 0.000 1.024 774 E CA 0.207 56.637 56.400 0.051 0.000 0.861 774 E CB -0.292 29.413 29.700 0.008 0.000 0.788 774 E HN 0.774 nan 8.360 nan 0.000 0.521 775 G N 2.130 110.926 108.800 -0.006 0.000 2.502 775 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 775 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 775 G C -0.482 174.374 174.900 -0.073 0.000 1.021 775 G CA 0.025 45.044 45.100 -0.135 0.000 1.333 775 G HN 0.060 nan 8.290 nan 0.000 0.508 776 R N 0.367 120.830 120.500 -0.062 0.000 2.808 776 R HA 0.866 5.206 4.340 0.000 0.000 0.272 776 R C 0.592 176.870 176.300 -0.036 0.000 0.995 776 R CA -0.256 55.820 56.100 -0.039 0.000 0.917 776 R CB 1.691 31.976 30.300 -0.025 0.000 1.217 776 R HN 2.145 nan 8.270 nan 0.000 0.471 777 A N 0.000 122.804 122.820 -0.026 0.000 2.254 777 A HA 0.000 4.320 4.320 0.000 0.000 0.244 777 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 777 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486