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 1jro_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 ESQGNHLAIA 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 0.000 174.497 174.600 -0.172 0.000 1.055 2 S CA 0.000 58.114 58.200 -0.143 0.000 1.107 2 S CB 0.000 63.130 63.200 -0.116 0.000 0.593 3 V N 2.712 122.461 119.914 -0.273 0.000 2.617 3 V HA 0.420 4.540 4.120 -0.000 0.000 0.304 3 V C 1.675 177.630 176.094 -0.232 0.000 1.040 3 V CA 1.915 64.024 62.300 -0.318 0.000 1.149 3 V CB 0.388 31.806 31.823 -0.675 0.000 0.914 3 V HN 0.896 nan 8.190 nan 0.000 0.487 4 G N 4.186 112.896 108.800 -0.149 0.000 2.259 4 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 4 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 4 G C 0.279 175.133 174.900 -0.077 0.000 1.001 4 G CA -0.148 44.889 45.100 -0.106 0.000 0.627 4 G HN 0.570 nan 8.290 nan 0.000 0.501 5 K N 1.481 121.833 120.400 -0.080 0.000 2.154 5 K HA 0.432 4.752 4.320 -0.000 0.000 0.264 5 K C -2.409 174.166 176.600 -0.043 0.000 1.008 5 K CA -1.317 54.936 56.287 -0.058 0.000 0.937 5 K CB 1.537 34.001 32.500 -0.059 0.000 1.002 5 K HN 0.040 nan 8.250 nan 0.000 0.469 6 P HA 0.167 nan 4.420 nan 0.000 0.214 6 P C -0.614 176.679 177.300 -0.013 0.000 1.826 6 P CA -0.072 63.017 63.100 -0.018 0.000 0.977 6 P CB -0.099 31.593 31.700 -0.015 0.000 1.930 7 L N 2.500 123.713 121.223 -0.017 0.000 2.418 7 L HA 0.398 4.738 4.340 -0.000 0.000 0.265 7 L C -1.414 175.461 176.870 0.008 0.000 1.143 7 L CA -2.222 52.612 54.840 -0.009 0.000 0.809 7 L CB -0.036 42.010 42.059 -0.022 0.000 1.124 7 L HN 0.054 nan 8.230 nan 0.000 0.456 8 P HA -0.046 nan 4.420 nan 0.000 0.273 8 P C -0.663 176.681 177.300 0.074 0.000 1.250 8 P CA -0.294 62.840 63.100 0.056 0.000 0.793 8 P CB 0.407 32.137 31.700 0.051 0.000 1.011 9 H N 1.872 120.960 119.070 0.030 0.000 2.928 9 H HA -0.067 4.489 4.556 -0.000 0.000 0.338 9 H C 1.349 176.678 175.328 0.002 0.000 1.047 9 H CA 0.734 56.807 56.048 0.040 0.000 1.435 9 H CB 0.483 30.301 29.762 0.093 0.000 1.428 9 H HN 0.541 nan 8.280 nan 0.000 0.590 10 D N 2.177 122.467 120.400 -0.183 0.000 2.357 10 D HA -0.141 4.499 4.640 -0.000 0.000 0.216 10 D C 0.036 176.375 176.300 0.064 0.000 0.973 10 D CA 0.926 54.905 54.000 -0.036 0.000 0.912 10 D CB 0.218 40.985 40.800 -0.056 0.000 0.900 10 D HN 0.250 nan 8.370 nan 0.000 0.501 11 S N -0.764 115.080 115.700 0.240 0.000 2.952 11 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 11 S C 1.351 175.620 174.600 -0.552 0.000 1.021 11 S CA -0.041 58.048 58.200 -0.185 0.000 1.067 11 S CB 1.133 64.189 63.200 -0.240 0.000 1.002 11 S HN 0.441 nan 8.310 nan 0.000 0.574 12 A N 2.615 125.325 122.820 -0.183 0.000 1.873 12 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 12 A C 2.040 179.570 177.584 -0.089 0.000 1.193 12 A CA 1.782 53.758 52.037 -0.102 0.000 0.629 12 A CB -0.486 18.537 19.000 0.038 0.000 0.826 12 A HN 0.467 nan 8.150 nan 0.000 0.447 13 R N -0.650 119.810 120.500 -0.067 0.000 2.081 13 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 13 R C 2.321 178.597 176.300 -0.041 0.000 1.131 13 R CA 1.357 57.438 56.100 -0.031 0.000 0.960 13 R CB -0.389 29.898 30.300 -0.021 0.000 0.856 13 R HN 0.466 nan 8.270 nan 0.000 0.436 14 A N 0.039 122.797 122.820 -0.102 0.000 1.933 14 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 14 A C 1.692 179.291 177.584 0.026 0.000 1.175 14 A CA 1.486 53.483 52.037 -0.066 0.000 0.628 14 A CB -0.731 18.211 19.000 -0.098 0.000 0.814 14 A HN 0.552 nan 8.150 nan 0.000 0.444 15 H N -1.557 117.522 119.070 0.015 0.000 2.253 15 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 15 H C 2.100 177.454 175.328 0.044 0.000 1.074 15 H CA 1.215 57.285 56.048 0.036 0.000 1.263 15 H CB -0.168 29.602 29.762 0.014 0.000 1.363 15 H HN 0.243 nan 8.280 nan 0.000 0.489 16 V N 1.053 121.071 119.914 0.174 0.000 2.568 16 V HA -0.208 3.912 4.120 -0.000 0.000 0.253 16 V C 2.071 178.211 176.094 0.076 0.000 1.072 16 V CA 2.243 64.608 62.300 0.108 0.000 1.084 16 V CB -0.463 31.409 31.823 0.081 0.000 0.676 16 V HN 0.697 nan 8.190 nan 0.000 0.469 17 T N -3.319 111.273 114.554 0.063 0.000 3.122 17 T HA 0.343 4.693 4.350 -0.000 0.000 0.250 17 T C 1.380 176.110 174.700 0.051 0.000 1.067 17 T CA 0.545 62.673 62.100 0.046 0.000 0.966 17 T CB 0.510 69.394 68.868 0.027 0.000 1.002 17 T HN 0.877 nan 8.240 nan 0.000 0.542 18 G N 1.691 110.538 108.800 0.077 0.000 2.179 18 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 18 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 18 G C 0.509 175.442 174.900 0.056 0.000 1.010 18 G CA 0.512 45.661 45.100 0.081 0.000 0.736 18 G HN 0.589 nan 8.290 nan 0.000 0.513 19 Q N -0.637 119.187 119.800 0.038 0.000 2.356 19 Q HA 0.523 4.863 4.340 -0.000 0.000 0.205 19 Q C 1.571 177.557 176.000 -0.023 0.000 0.901 19 Q CA 0.437 56.243 55.803 0.006 0.000 0.938 19 Q CB 0.641 29.375 28.738 -0.007 0.000 1.081 19 Q HN 0.800 nan 8.270 nan 0.000 0.517 20 A N 1.370 124.181 122.820 -0.014 0.000 2.401 20 A HA 0.312 4.632 4.320 -0.000 0.000 0.259 20 A C -0.365 177.066 177.584 -0.255 0.000 1.103 20 A CA -0.128 51.833 52.037 -0.128 0.000 0.789 20 A CB 0.308 19.256 19.000 -0.087 0.000 1.035 20 A HN 0.190 nan 8.150 nan 0.000 0.491 21 R N 1.374 121.694 120.500 -0.300 0.000 2.229 21 R HA 0.453 4.793 4.340 -0.000 0.000 0.328 21 R C -1.266 174.771 176.300 -0.438 0.000 1.009 21 R CA -0.042 55.899 56.100 -0.265 0.000 0.864 21 R CB 0.832 31.048 30.300 -0.141 0.000 1.085 21 R HN 0.770 nan 8.270 nan 0.000 0.453 22 Y N 1.165 121.462 120.300 -0.006 0.000 2.480 22 Y HA 0.115 4.665 4.550 -0.000 0.000 0.323 22 Y C 1.580 177.458 175.900 -0.036 0.000 1.267 22 Y CA -0.723 57.365 58.100 -0.020 0.000 1.336 22 Y CB 0.558 38.999 38.460 -0.032 0.000 1.361 22 Y HN 0.443 nan 8.280 nan 0.000 0.518 23 L N 0.709 122.002 121.223 0.117 0.000 1.997 23 L HA -0.280 4.060 4.340 -0.000 0.000 0.216 23 L C 1.669 178.543 176.870 0.006 0.000 1.074 23 L CA 2.295 57.154 54.840 0.031 0.000 0.763 23 L CB -0.351 41.716 42.059 0.013 0.000 0.890 23 L HN 0.801 nan 8.230 nan 0.000 0.434 24 D N -0.817 119.593 120.400 0.017 0.000 2.392 24 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 24 D C 1.182 177.489 176.300 0.012 0.000 1.003 24 D CA 0.784 54.785 54.000 0.002 0.000 0.917 24 D CB -0.076 40.712 40.800 -0.020 0.000 0.890 24 D HN 0.516 nan 8.370 nan 0.000 0.532 25 D N -0.690 119.724 120.400 0.023 0.000 2.389 25 D HA 0.040 4.680 4.640 -0.000 0.000 0.206 25 D C 0.675 176.962 176.300 -0.022 0.000 1.055 25 D CA -0.109 53.899 54.000 0.014 0.000 0.856 25 D CB 0.465 41.285 40.800 0.033 0.000 0.957 25 D HN 0.288 nan 8.370 nan 0.000 0.509 26 L N 2.394 123.588 121.223 -0.049 0.000 2.485 26 L HA 0.116 4.456 4.340 -0.000 0.000 0.275 26 L C -2.011 174.816 176.870 -0.071 0.000 1.207 26 L CA -1.189 53.596 54.840 -0.092 0.000 0.855 26 L CB -0.300 41.656 42.059 -0.173 0.000 1.114 26 L HN -0.279 nan 8.230 nan 0.000 0.485 27 P HA 0.197 nan 4.420 nan 0.000 0.280 27 P C -1.115 176.151 177.300 -0.056 0.000 1.244 27 P CA -0.508 62.565 63.100 -0.046 0.000 0.784 27 P CB 0.757 32.431 31.700 -0.043 0.000 0.913 28 C N 1.977 121.256 119.300 -0.035 0.000 2.994 28 C HA 0.741 5.201 4.460 -0.000 0.000 0.304 28 C C -2.522 172.456 174.990 -0.019 0.000 1.273 28 C CA -2.498 56.496 59.018 -0.040 0.000 1.537 28 C CB 0.284 27.992 27.740 -0.053 0.000 2.001 28 C HN 0.379 nan 8.230 nan 0.000 0.471 29 P HA 0.267 nan 4.420 nan 0.000 0.269 29 P C 0.763 178.065 177.300 0.003 0.000 1.211 29 P CA 0.233 63.328 63.100 -0.007 0.000 0.781 29 P CB 0.390 32.086 31.700 -0.008 0.000 0.877 30 A N 2.536 125.363 122.820 0.012 0.000 1.972 30 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 30 A C 1.612 179.214 177.584 0.030 0.000 1.169 30 A CA 1.652 53.704 52.037 0.026 0.000 0.635 30 A CB -1.126 17.888 19.000 0.023 0.000 0.810 30 A HN 0.739 nan 8.150 nan 0.000 0.446 31 N N 0.028 118.739 118.700 0.018 0.000 2.521 31 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 31 N C -0.133 175.382 175.510 0.008 0.000 1.146 31 N CA 0.799 53.860 53.050 0.019 0.000 0.893 31 N CB -1.287 37.210 38.487 0.016 0.000 0.975 31 N HN 0.157 nan 8.380 nan 0.000 0.451 32 T N 2.259 116.805 114.554 -0.014 0.000 2.866 32 T HA 0.055 4.404 4.350 -0.000 0.000 0.293 32 T C 0.528 175.154 174.700 -0.123 0.000 1.005 32 T CA 0.070 62.121 62.100 -0.081 0.000 1.162 32 T CB 0.306 69.105 68.868 -0.114 0.000 0.968 32 T HN 0.154 nan 8.240 nan 0.000 0.530 33 L N 4.049 125.194 121.223 -0.130 0.000 2.421 33 L HA 0.437 4.777 4.340 -0.000 0.000 0.263 33 L C 0.659 177.343 176.870 -0.310 0.000 1.122 33 L CA -0.870 53.913 54.840 -0.095 0.000 0.804 33 L CB 0.555 42.617 42.059 0.005 0.000 1.150 33 L HN 0.599 nan 8.230 nan 0.000 0.457 34 H N 2.753 121.851 119.070 0.046 0.000 2.547 34 H HA 0.521 5.077 4.556 -0.000 0.000 0.342 34 H C -0.754 174.593 175.328 0.031 0.000 1.048 34 H CA -0.560 55.520 56.048 0.052 0.000 1.204 34 H CB 2.028 31.845 29.762 0.092 0.000 1.493 34 H HN 0.344 nan 8.280 nan 0.000 0.511 35 L N 1.369 122.640 121.223 0.081 0.000 2.332 35 L HA 0.885 5.225 4.340 -0.000 0.000 0.269 35 L C 0.206 177.037 176.870 -0.066 0.000 1.016 35 L CA -1.086 53.751 54.840 -0.006 0.000 0.809 35 L CB 1.696 43.698 42.059 -0.095 0.000 1.280 35 L HN 0.575 nan 8.230 nan 0.000 0.447 36 A N 0.509 123.268 122.820 -0.102 0.000 2.609 36 A HA 0.775 5.095 4.320 -0.000 0.000 0.291 36 A C -1.629 175.864 177.584 -0.151 0.000 1.096 36 A CA -0.463 51.487 52.037 -0.145 0.000 0.684 36 A CB 1.390 20.337 19.000 -0.088 0.000 1.282 36 A HN 0.550 nan 8.150 nan 0.000 0.412 37 F N 0.349 120.262 119.950 -0.062 0.000 2.458 37 F HA 0.583 5.109 4.527 -0.000 0.000 0.330 37 F C 1.160 176.711 175.800 -0.414 0.000 1.082 37 F CA -0.573 57.307 58.000 -0.199 0.000 0.995 37 F CB 2.286 41.221 39.000 -0.109 0.000 1.170 37 F HN 0.751 nan 8.300 nan 0.000 0.478 38 G N 2.965 111.350 108.800 -0.692 0.000 2.367 38 G HA2 0.637 4.597 3.960 -0.000 0.000 0.314 38 G HA3 0.637 4.597 3.960 -0.000 0.000 0.314 38 G C -1.230 173.401 174.900 -0.448 0.000 1.130 38 G CA -0.558 43.996 45.100 -0.910 0.000 0.864 38 G HN 0.501 nan 8.290 nan 0.000 0.486 39 L N 0.949 122.043 121.223 -0.215 0.000 2.333 39 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 39 L C 0.776 177.584 176.870 -0.105 0.000 1.010 39 L CA -1.056 53.676 54.840 -0.180 0.000 0.818 39 L CB 2.057 44.017 42.059 -0.164 0.000 1.306 39 L HN 0.575 nan 8.230 nan 0.000 0.430 40 S N -0.333 115.262 115.700 -0.176 0.000 2.576 40 S HA 0.142 4.612 4.470 -0.000 0.000 0.276 40 S C 0.770 175.287 174.600 -0.139 0.000 1.339 40 S CA -0.045 58.096 58.200 -0.099 0.000 1.039 40 S CB 0.700 63.730 63.200 -0.283 0.000 0.902 40 S HN 0.751 nan 8.310 nan 0.000 0.516 41 T N 0.977 115.459 114.554 -0.119 0.000 3.134 41 T HA 0.375 4.725 4.350 -0.000 0.000 0.260 41 T C -0.137 174.368 174.700 -0.325 0.000 1.027 41 T CA -0.444 61.549 62.100 -0.179 0.000 0.913 41 T CB -0.039 68.773 68.868 -0.093 0.000 1.046 41 T HN 0.522 nan 8.240 nan 0.000 0.553 42 E N 0.619 120.546 120.200 -0.456 0.000 2.212 42 E HA 0.649 4.999 4.350 -0.000 0.000 0.268 42 E C 0.517 176.940 176.600 -0.296 0.000 0.902 42 E CA -0.579 55.544 56.400 -0.461 0.000 0.779 42 E CB 2.016 31.273 29.700 -0.740 0.000 1.172 42 E HN 0.153 nan 8.360 nan 0.000 0.409 43 A N 1.756 124.458 122.820 -0.197 0.000 2.066 43 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 43 A C 0.869 178.389 177.584 -0.107 0.000 1.157 43 A CA 0.934 52.902 52.037 -0.114 0.000 0.670 43 A CB 0.295 19.258 19.000 -0.062 0.000 0.804 43 A HN 0.295 nan 8.150 nan 0.000 0.453 44 S N -1.848 113.765 115.700 -0.145 0.000 2.388 44 S HA 0.540 5.010 4.470 -0.000 0.000 0.279 44 S C -0.980 173.548 174.600 -0.120 0.000 0.987 44 S CA 0.234 58.364 58.200 -0.116 0.000 0.993 44 S CB 0.071 63.246 63.200 -0.041 0.000 1.207 44 S HN 1.663 nan 8.310 nan 0.000 0.425 45 A N 2.847 125.588 122.820 -0.131 0.000 2.599 45 A HA 0.899 5.219 4.320 -0.000 0.000 0.294 45 A C -0.483 177.087 177.584 -0.024 0.000 1.055 45 A CA -0.167 51.836 52.037 -0.057 0.000 0.683 45 A CB 0.767 19.738 19.000 -0.050 0.000 1.278 45 A HN 1.719 nan 8.150 nan 0.000 0.412 46 A N 0.879 123.707 122.820 0.014 0.000 2.316 46 A HA 0.707 5.027 4.320 -0.000 0.000 0.284 46 A C -0.149 177.465 177.584 0.050 0.000 1.115 46 A CA -0.331 51.712 52.037 0.010 0.000 0.812 46 A CB -0.014 18.990 19.000 0.007 0.000 1.064 46 A HN 0.782 nan 8.150 nan 0.000 0.489 47 I N 1.546 122.122 120.570 0.009 0.000 2.395 47 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 47 I C 1.097 177.174 176.117 -0.066 0.000 1.023 47 I CA 0.017 61.284 61.300 -0.055 0.000 1.350 47 I CB 1.538 39.485 38.000 -0.089 0.000 1.409 47 I HN 0.776 nan 8.210 nan 0.000 0.507 48 T N 3.351 117.844 114.554 -0.101 0.000 2.999 48 T HA 0.261 4.611 4.350 -0.000 0.000 0.247 48 T C 0.384 175.036 174.700 -0.079 0.000 1.012 48 T CA 0.110 62.171 62.100 -0.065 0.000 1.048 48 T CB 0.583 69.426 68.868 -0.041 0.000 1.020 48 T HN 0.796 nan 8.240 nan 0.000 0.478 49 G N 0.692 109.420 108.800 -0.121 0.000 2.660 49 G HA2 0.607 4.567 3.960 -0.000 0.000 0.294 49 G HA3 0.607 4.567 3.960 -0.000 0.000 0.294 49 G C -2.210 172.597 174.900 -0.154 0.000 1.369 49 G CA -0.409 44.623 45.100 -0.113 0.000 0.912 49 G HN 0.148 nan 8.290 nan 0.000 0.479 50 L N 1.529 122.674 121.223 -0.130 0.000 2.492 50 L HA 0.438 4.778 4.340 -0.000 0.000 0.259 50 L C -1.182 175.597 176.870 -0.152 0.000 1.229 50 L CA -0.787 53.963 54.840 -0.150 0.000 0.903 50 L CB 1.419 43.403 42.059 -0.125 0.000 1.114 50 L HN 0.516 nan 8.230 nan 0.000 0.494 51 D N 3.113 123.423 120.400 -0.151 0.000 2.339 51 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 51 D C 0.633 176.817 176.300 -0.193 0.000 1.183 51 D CA 0.111 54.026 54.000 -0.142 0.000 0.859 51 D CB 0.889 41.626 40.800 -0.105 0.000 1.067 51 D HN 0.562 nan 8.370 nan 0.000 0.484 52 L N 3.027 124.124 121.223 -0.211 0.000 2.693 52 L HA 0.169 4.509 4.340 -0.000 0.000 0.235 52 L C 1.716 178.477 176.870 -0.181 0.000 1.127 52 L CA -0.163 54.510 54.840 -0.278 0.000 0.914 52 L CB 0.174 42.036 42.059 -0.329 0.000 1.193 52 L HN 0.335 nan 8.230 nan 0.000 0.502 53 E N 1.568 121.691 120.200 -0.128 0.000 2.038 53 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 53 E C -0.700 175.856 176.600 -0.073 0.000 1.000 53 E CA 1.810 58.156 56.400 -0.089 0.000 0.803 53 E CB -0.832 28.826 29.700 -0.070 0.000 0.750 53 E HN 0.246 nan 8.360 nan 0.000 0.448 54 P HA -0.139 nan 4.420 nan 0.000 0.219 54 P C 1.204 178.481 177.300 -0.038 0.000 1.146 54 P CA 0.940 64.013 63.100 -0.045 0.000 0.808 54 P CB 0.083 31.760 31.700 -0.039 0.000 0.779 55 V N 0.337 120.211 119.914 -0.068 0.000 2.255 55 V HA -0.213 3.907 4.120 -0.000 0.000 0.243 55 V C 2.473 178.554 176.094 -0.022 0.000 1.038 55 V CA 1.718 63.995 62.300 -0.038 0.000 1.008 55 V CB -1.050 30.712 31.823 -0.101 0.000 0.645 55 V HN 0.047 nan 8.190 nan 0.000 0.449 56 R N 0.240 120.710 120.500 -0.051 0.000 2.139 56 R HA -0.237 4.103 4.340 -0.000 0.000 0.243 56 R C 2.086 178.374 176.300 -0.021 0.000 1.145 56 R CA 1.866 57.944 56.100 -0.038 0.000 0.976 56 R CB -0.402 29.863 30.300 -0.058 0.000 0.866 56 R HN 0.631 nan 8.270 nan 0.000 0.449 57 E N 0.490 120.676 120.200 -0.023 0.000 2.358 57 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 57 E C 0.402 177.001 176.600 -0.002 0.000 1.010 57 E CA -0.092 56.300 56.400 -0.013 0.000 0.856 57 E CB 0.226 29.916 29.700 -0.017 0.000 0.795 57 E HN 0.036 nan 8.360 nan 0.000 0.504 58 S N 1.520 117.224 115.700 0.005 0.000 2.563 58 S HA 0.048 4.518 4.470 -0.000 0.000 0.284 58 S C -2.339 172.273 174.600 0.019 0.000 1.331 58 S CA -1.447 56.763 58.200 0.016 0.000 1.047 58 S CB 0.422 63.639 63.200 0.029 0.000 0.859 58 S HN -0.127 nan 8.310 nan 0.000 0.514 59 P HA 0.189 nan 4.420 nan 0.000 0.266 59 P C 0.849 178.165 177.300 0.026 0.000 1.195 59 P CA 0.840 63.951 63.100 0.019 0.000 0.768 59 P CB 0.168 31.879 31.700 0.017 0.000 0.838 60 G N 1.019 109.836 108.800 0.028 0.000 2.196 60 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.268 60 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.268 60 G C 0.222 175.150 174.900 0.047 0.000 0.975 60 G CA 0.109 45.232 45.100 0.037 0.000 0.648 60 G HN 0.544 nan 8.290 nan 0.000 0.538 61 V N 1.645 121.584 119.914 0.042 0.000 2.614 61 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 61 V C 1.525 177.644 176.094 0.042 0.000 1.049 61 V CA 0.048 62.379 62.300 0.051 0.000 1.038 61 V CB 1.476 33.328 31.823 0.047 0.000 0.980 61 V HN 0.190 nan 8.190 nan 0.000 0.481 62 I N 2.501 123.104 120.570 0.054 0.000 3.883 62 I HA 0.423 4.593 4.170 -0.000 0.000 0.305 62 I C 0.729 176.855 176.117 0.014 0.000 1.247 62 I CA 0.729 62.053 61.300 0.040 0.000 1.350 62 I CB 0.400 38.436 38.000 0.060 0.000 1.194 62 I HN 0.691 nan 8.210 nan 0.000 0.441 63 A N 0.418 123.251 122.820 0.020 0.000 2.612 63 A HA 0.730 5.050 4.320 -0.000 0.000 0.293 63 A C -1.498 176.033 177.584 -0.088 0.000 1.075 63 A CA -0.366 51.603 52.037 -0.113 0.000 0.680 63 A CB 2.010 20.936 19.000 -0.122 0.000 1.279 63 A HN -0.187 nan 8.150 nan 0.000 0.411 64 V N 1.107 120.835 119.914 -0.310 0.000 2.733 64 V HA 0.688 4.808 4.120 -0.000 0.000 0.306 64 V C -1.524 174.421 176.094 -0.248 0.000 1.084 64 V CA -0.329 61.940 62.300 -0.052 0.000 0.905 64 V CB 1.605 33.405 31.823 -0.039 0.000 1.010 64 V HN 0.762 nan 8.190 nan 0.000 0.424 65 F N 1.493 121.545 119.950 0.170 0.000 2.579 65 F HA 0.840 5.367 4.527 0.000 0.000 0.324 65 F C 0.489 176.399 175.800 0.183 0.000 1.058 65 F CA -0.621 57.467 58.000 0.146 0.000 0.944 65 F CB 2.411 41.497 39.000 0.142 0.000 1.245 65 F HN 0.369 nan 8.300 nan 0.000 0.477 66 T N -0.436 114.318 114.554 0.333 0.000 2.864 66 T HA 0.571 4.921 4.350 -0.000 0.000 0.289 66 T C 0.775 175.593 174.700 0.196 0.000 1.082 66 T CA 0.058 62.298 62.100 0.232 0.000 1.009 66 T CB 1.717 70.661 68.868 0.127 0.000 1.234 66 T HN 0.670 nan 8.240 nan 0.000 0.526 67 A N 0.651 123.556 122.820 0.143 0.000 1.978 67 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 67 A C 2.321 179.966 177.584 0.102 0.000 1.170 67 A CA 2.237 54.344 52.037 0.117 0.000 0.636 67 A CB -1.026 18.029 19.000 0.092 0.000 0.810 67 A HN 0.904 nan 8.150 nan 0.000 0.448 68 A N -0.281 122.591 122.820 0.088 0.000 2.015 68 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 68 A C 1.590 179.219 177.584 0.076 0.000 1.163 68 A CA 1.506 53.581 52.037 0.063 0.000 0.646 68 A CB -0.329 18.695 19.000 0.040 0.000 0.806 68 A HN 0.533 nan 8.150 nan 0.000 0.448 69 D N -0.190 120.286 120.400 0.127 0.000 2.347 69 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 69 D C 0.359 176.766 176.300 0.179 0.000 0.985 69 D CA 0.096 54.196 54.000 0.168 0.000 0.879 69 D CB -0.073 40.882 40.800 0.258 0.000 0.919 69 D HN 0.368 nan 8.370 nan 0.000 0.526 70 L N 2.454 123.765 121.223 0.146 0.000 2.513 70 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 70 L C -1.072 175.828 176.870 0.050 0.000 1.187 70 L CA -0.895 54.010 54.840 0.108 0.000 0.895 70 L CB 0.266 42.382 42.059 0.095 0.000 1.147 70 L HN -0.195 nan 8.230 nan 0.000 0.483 71 P HA -0.038 nan 4.420 nan 0.000 0.223 71 P C 0.043 177.102 177.300 -0.401 0.000 1.151 71 P CA 1.418 64.433 63.100 -0.141 0.000 0.787 71 P CB 0.391 32.081 31.700 -0.016 0.000 0.788 72 H N -3.055 116.048 119.070 0.056 0.000 5.309 72 H HA 0.243 4.799 4.556 -0.000 0.000 0.129 72 H C -0.407 174.950 175.328 0.047 0.000 1.315 72 H CA -0.613 55.465 56.048 0.049 0.000 0.188 72 H CB -0.596 29.198 29.762 0.054 0.000 1.678 72 H HN -0.289 nan 8.280 nan 0.000 0.195 73 D N 0.974 121.500 120.400 0.210 0.000 2.382 73 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 73 D C -0.339 176.021 176.300 0.101 0.000 1.120 73 D CA 0.164 54.237 54.000 0.122 0.000 0.890 73 D CB 0.479 41.346 40.800 0.113 0.000 1.201 73 D HN 0.276 nan 8.370 nan 0.000 0.433 74 N N 2.039 120.785 118.700 0.077 0.000 2.851 74 N HA 0.226 4.966 4.740 -0.000 0.000 0.248 74 N C -2.024 173.516 175.510 0.051 0.000 1.221 74 N CA -0.571 52.519 53.050 0.065 0.000 0.847 74 N CB 0.278 38.810 38.487 0.075 0.000 1.150 74 N HN 0.206 nan 8.380 nan 0.000 0.507 75 D N 1.469 121.885 120.400 0.027 0.000 2.333 75 D HA 0.317 4.957 4.640 -0.000 0.000 0.225 75 D C -0.482 175.795 176.300 -0.037 0.000 1.345 75 D CA -0.401 53.603 54.000 0.008 0.000 0.971 75 D CB 1.011 41.831 40.800 0.032 0.000 1.451 75 D HN 0.303 nan 8.370 nan 0.000 0.561 76 A N 2.527 125.276 122.820 -0.117 0.000 2.308 76 A HA 0.235 4.555 4.320 -0.000 0.000 0.217 76 A C 1.106 178.650 177.584 -0.066 0.000 1.216 76 A CA 0.015 51.955 52.037 -0.163 0.000 0.864 76 A CB 0.135 18.818 19.000 -0.528 0.000 0.902 76 A HN 0.396 nan 8.150 nan 0.000 0.499 77 S N 1.321 116.987 115.700 -0.056 0.000 2.558 77 S HA 0.177 4.647 4.470 -0.000 0.000 0.293 77 S C -1.372 173.190 174.600 -0.063 0.000 1.292 77 S CA -0.628 57.535 58.200 -0.061 0.000 1.063 77 S CB 0.647 63.794 63.200 -0.088 0.000 0.831 77 S HN 0.318 nan 8.310 nan 0.000 0.499 78 P HA 0.263 nan 4.420 nan 0.000 0.253 78 P C -0.370 176.903 177.300 -0.046 0.000 1.260 78 P CA 0.143 63.214 63.100 -0.048 0.000 0.800 78 P CB -0.073 31.632 31.700 0.008 0.000 1.162 79 A N 0.320 123.104 122.820 -0.060 0.000 2.485 79 A HA 0.654 4.974 4.320 -0.000 0.000 0.292 79 A C -1.972 175.586 177.584 -0.045 0.000 1.147 79 A CA -1.552 50.453 52.037 -0.053 0.000 0.750 79 A CB 0.417 19.365 19.000 -0.087 0.000 1.331 79 A HN -0.250 nan 8.150 nan 0.000 0.419 80 P HA -0.049 nan 4.420 nan 0.000 0.216 80 P C 0.428 177.717 177.300 -0.019 0.000 1.150 80 P CA 1.410 64.504 63.100 -0.011 0.000 0.837 80 P CB -0.048 31.650 31.700 -0.002 0.000 0.786 81 S N -0.010 115.667 115.700 -0.039 0.000 2.545 81 S HA 0.431 4.901 4.470 -0.000 0.000 0.275 81 S C -2.531 172.037 174.600 -0.055 0.000 1.299 81 S CA -1.575 56.605 58.200 -0.034 0.000 1.048 81 S CB 0.162 63.346 63.200 -0.026 0.000 0.938 81 S HN -0.041 nan 8.310 nan 0.000 0.496 82 P HA 0.333 nan 4.420 nan 0.000 0.274 82 P C -0.787 176.483 177.300 -0.050 0.000 1.231 82 P CA -0.429 62.658 63.100 -0.022 0.000 0.790 82 P CB 0.428 32.138 31.700 0.017 0.000 0.951 83 E N 2.718 122.892 120.200 -0.043 0.000 2.373 83 E HA 0.270 4.619 4.350 -0.000 0.000 0.251 83 E C -2.527 174.135 176.600 0.103 0.000 0.923 83 E CA -2.659 53.713 56.400 -0.048 0.000 0.798 83 E CB 1.179 30.772 29.700 -0.179 0.000 1.303 83 E HN 0.263 nan 8.360 nan 0.000 0.412 84 P HA -0.081 nan 4.420 nan 0.000 0.267 84 P C 0.765 178.151 177.300 0.143 0.000 1.200 84 P CA -0.093 63.115 63.100 0.179 0.000 0.772 84 P CB 1.395 33.232 31.700 0.228 0.000 0.855 85 V N 2.752 122.686 119.914 0.034 0.000 2.273 85 V HA -0.094 4.026 4.120 -0.000 0.000 0.242 85 V C 1.343 177.449 176.094 0.019 0.000 1.035 85 V CA 1.450 63.736 62.300 -0.023 0.000 1.013 85 V CB -0.625 31.180 31.823 -0.030 0.000 0.652 85 V HN 0.386 nan 8.190 nan 0.000 0.452 86 L N 0.809 122.060 121.223 0.045 0.000 2.289 86 L HA 0.610 4.950 4.340 -0.000 0.000 0.285 86 L C 0.404 177.311 176.870 0.062 0.000 1.049 86 L CA -0.632 54.229 54.840 0.034 0.000 0.804 86 L CB 1.105 43.223 42.059 0.099 0.000 1.195 86 L HN 0.205 nan 8.230 nan 0.000 0.428 87 A N 1.861 124.697 122.820 0.027 0.000 2.580 87 A HA 0.179 4.499 4.320 -0.000 0.000 0.244 87 A C 0.724 178.348 177.584 0.066 0.000 1.045 87 A CA 0.112 52.174 52.037 0.043 0.000 0.761 87 A CB -0.375 18.609 19.000 -0.027 0.000 0.962 87 A HN 0.751 nan 8.150 nan 0.000 0.512 88 T N 1.094 115.705 114.554 0.096 0.000 3.316 88 T HA 0.520 4.870 4.350 -0.000 0.000 0.341 88 T C 1.209 175.948 174.700 0.064 0.000 1.397 88 T CA 0.311 62.462 62.100 0.084 0.000 1.085 88 T CB 0.134 69.065 68.868 0.106 0.000 1.160 88 T HN 2.324 nan 8.240 nan 0.000 0.694 89 G N 2.648 111.468 108.800 0.033 0.000 2.299 89 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.237 89 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.237 89 G C -0.150 174.746 174.900 -0.007 0.000 1.027 89 G CA 0.230 45.340 45.100 0.016 0.000 0.619 89 G HN 0.998 nan 8.290 nan 0.000 0.513 90 E N -0.887 119.295 120.200 -0.030 0.000 2.449 90 E HA 0.707 5.057 4.350 -0.000 0.000 0.278 90 E C -0.562 175.896 176.600 -0.235 0.000 0.992 90 E CA -0.762 55.566 56.400 -0.120 0.000 0.807 90 E CB 2.464 32.069 29.700 -0.158 0.000 1.350 90 E HN 1.077 nan 8.360 nan 0.000 0.462 91 V N -2.048 117.657 119.914 -0.348 0.000 2.914 91 V HA 0.499 4.619 4.120 -0.000 0.000 0.314 91 V C -0.336 175.408 176.094 -0.584 0.000 1.084 91 V CA -0.663 61.395 62.300 -0.404 0.000 0.963 91 V CB 1.761 33.431 31.823 -0.255 0.000 1.025 91 V HN 0.903 nan 8.190 nan 0.000 0.432 92 H N 2.670 121.552 119.070 -0.313 0.000 3.078 92 H HA 0.423 4.979 4.556 -0.000 0.000 0.263 92 H C -0.554 174.712 175.328 -0.103 0.000 1.177 92 H CA 0.532 56.498 56.048 -0.137 0.000 1.128 92 H CB 1.081 30.902 29.762 0.098 0.000 1.623 92 H HN 0.794 nan 8.280 nan 0.000 0.592 93 F N -2.045 117.715 119.950 -0.316 0.000 2.746 93 F HA 0.383 4.910 4.527 -0.000 0.000 0.311 93 F C -1.734 173.936 175.800 -0.218 0.000 1.135 93 F CA -1.352 56.498 58.000 -0.250 0.000 0.954 93 F CB 0.575 39.408 39.000 -0.279 0.000 1.276 93 F HN -0.328 nan 8.300 nan 0.000 0.440 94 V N 3.275 123.166 119.914 -0.039 0.000 2.421 94 V HA 0.485 4.605 4.120 -0.000 0.000 0.271 94 V C 0.893 176.923 176.094 -0.108 0.000 1.031 94 V CA 1.364 63.581 62.300 -0.138 0.000 1.032 94 V CB -0.056 31.741 31.823 -0.043 0.000 1.009 94 V HN 1.569 nan 8.190 nan 0.000 0.477 95 G N 3.706 112.296 108.800 -0.351 0.000 2.336 95 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.194 95 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.194 95 G C 0.323 174.815 174.900 -0.680 0.000 0.999 95 G CA 0.066 44.994 45.100 -0.287 0.000 0.669 95 G HN 0.676 nan 8.290 nan 0.000 0.482 96 Q N 1.921 120.792 119.800 -1.547 0.000 2.286 96 Q HA 0.356 4.696 4.340 -0.000 0.000 0.290 96 Q C -2.335 173.314 176.000 -0.585 0.000 1.049 96 Q CA -0.936 54.116 55.803 -1.252 0.000 0.923 96 Q CB 0.671 28.582 28.738 -1.379 0.000 1.183 96 Q HN 0.234 nan 8.270 nan 0.000 0.383 97 P HA 0.043 nan 4.420 nan 0.000 0.275 97 P C -0.463 176.646 177.300 -0.318 0.000 1.227 97 P CA 0.362 63.178 63.100 -0.473 0.000 0.781 97 P CB 0.727 31.871 31.700 -0.927 0.000 0.906 98 I N 1.538 121.979 120.570 -0.215 0.000 4.197 98 I HA 0.189 4.359 4.170 -0.000 0.000 0.307 98 I C 0.431 176.645 176.117 0.161 0.000 1.236 98 I CA 0.256 61.549 61.300 -0.013 0.000 1.321 98 I CB 0.241 38.294 38.000 0.088 0.000 1.309 98 I HN 0.294 nan 8.210 nan 0.000 0.450 99 F N 0.112 120.111 119.950 0.082 0.000 2.675 99 F HA 0.795 5.322 4.527 -0.000 0.000 0.324 99 F C -1.359 174.631 175.800 0.317 0.000 1.106 99 F CA -1.468 56.632 58.000 0.167 0.000 0.970 99 F CB 1.447 40.518 39.000 0.118 0.000 1.385 99 F HN -0.294 nan 8.300 nan 0.000 0.489 100 L N 2.275 123.824 121.223 0.544 0.000 2.441 100 L HA 0.715 5.055 4.340 -0.000 0.000 0.270 100 L C -1.656 175.504 176.870 0.484 0.000 0.973 100 L CA -0.680 54.430 54.840 0.450 0.000 0.842 100 L CB 1.686 43.998 42.059 0.422 0.000 1.239 100 L HN 0.614 nan 8.230 nan 0.000 0.406 101 V N 4.158 124.265 119.914 0.321 0.000 2.481 101 V HA 0.862 4.982 4.120 -0.000 0.000 0.286 101 V C 0.361 176.583 176.094 0.213 0.000 1.042 101 V CA -0.199 62.278 62.300 0.295 0.000 0.928 101 V CB 1.379 33.343 31.823 0.234 0.000 0.986 101 V HN 0.945 nan 8.190 nan 0.000 0.462 102 A N 3.959 126.921 122.820 0.237 0.000 2.291 102 A HA 0.938 5.258 4.320 -0.000 0.000 0.311 102 A C -0.133 177.536 177.584 0.142 0.000 1.224 102 A CA -0.097 52.049 52.037 0.183 0.000 0.821 102 A CB 1.143 20.291 19.000 0.247 0.000 1.172 102 A HN 1.317 nan 8.150 nan 0.000 0.494 103 A N 1.228 124.125 122.820 0.128 0.000 2.532 103 A HA 0.762 5.082 4.320 -0.000 0.000 0.290 103 A C 0.837 178.511 177.584 0.149 0.000 1.143 103 A CA 0.223 52.329 52.037 0.115 0.000 0.728 103 A CB 0.450 19.506 19.000 0.093 0.000 1.317 103 A HN 1.445 nan 8.150 nan 0.000 0.414 104 T N -1.548 113.083 114.554 0.129 0.000 3.148 104 T HA 0.337 4.687 4.350 -0.000 0.000 0.253 104 T C 0.543 175.368 174.700 0.207 0.000 1.134 104 T CA 0.814 63.013 62.100 0.165 0.000 1.051 104 T CB -0.824 68.105 68.868 0.100 0.000 0.959 104 T HN 1.841 nan 8.240 nan 0.000 0.525 105 S N -0.690 115.090 115.700 0.134 0.000 2.537 105 S HA 0.294 4.764 4.470 -0.000 0.000 0.271 105 S C 0.436 175.004 174.600 -0.053 0.000 1.148 105 S CA -0.795 57.362 58.200 -0.073 0.000 0.868 105 S CB 1.194 64.356 63.200 -0.062 0.000 1.115 105 S HN 0.231 nan 8.310 nan 0.000 0.461 106 H N 2.298 121.179 119.070 -0.314 0.000 2.353 106 H HA -0.061 4.495 4.556 -0.000 0.000 0.298 106 H C 1.717 177.021 175.328 -0.040 0.000 1.103 106 H CA 1.947 57.931 56.048 -0.106 0.000 1.293 106 H CB 0.080 29.759 29.762 -0.138 0.000 1.372 106 H HN 0.524 nan 8.280 nan 0.000 0.501 107 R N 0.201 120.687 120.500 -0.024 0.000 2.075 107 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 107 R C 2.488 178.761 176.300 -0.045 0.000 1.126 107 R CA 0.946 57.024 56.100 -0.037 0.000 0.963 107 R CB -0.615 29.690 30.300 0.008 0.000 0.858 107 R HN 0.384 nan 8.270 nan 0.000 0.435 108 A N 0.902 123.710 122.820 -0.020 0.000 1.933 108 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 108 A C 2.329 179.915 177.584 0.003 0.000 1.175 108 A CA 1.697 53.736 52.037 0.004 0.000 0.628 108 A CB -0.424 18.590 19.000 0.024 0.000 0.814 108 A HN 0.363 nan 8.150 nan 0.000 0.444 109 A N 0.003 122.812 122.820 -0.018 0.000 1.855 109 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 109 A C 2.242 179.800 177.584 -0.044 0.000 1.191 109 A CA 1.393 53.423 52.037 -0.012 0.000 0.613 109 A CB -0.506 18.487 19.000 -0.011 0.000 0.829 109 A HN 0.520 nan 8.150 nan 0.000 0.442 110 R N -0.554 119.865 120.500 -0.134 0.000 2.091 110 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 110 R C 2.038 178.326 176.300 -0.019 0.000 1.136 110 R CA 1.652 57.694 56.100 -0.097 0.000 0.959 110 R CB -0.611 29.602 30.300 -0.146 0.000 0.856 110 R HN 0.583 nan 8.270 nan 0.000 0.437 111 I N 0.651 121.215 120.570 -0.010 0.000 2.142 111 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 111 I C 2.666 178.812 176.117 0.048 0.000 1.078 111 I CA 1.289 62.601 61.300 0.019 0.000 1.343 111 I CB -0.466 37.543 38.000 0.016 0.000 1.046 111 I HN 0.177 nan 8.210 nan 0.000 0.405 112 A N 0.753 123.608 122.820 0.058 0.000 1.940 112 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 112 A C 2.482 180.165 177.584 0.164 0.000 1.176 112 A CA 1.913 54.008 52.037 0.097 0.000 0.631 112 A CB -0.855 18.209 19.000 0.107 0.000 0.814 112 A HN 0.468 nan 8.150 nan 0.000 0.446 113 A N -0.658 122.251 122.820 0.147 0.000 2.070 113 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 113 A C 2.109 179.829 177.584 0.226 0.000 1.159 113 A CA 1.405 53.560 52.037 0.196 0.000 0.656 113 A CB -0.368 18.652 19.000 0.033 0.000 0.800 113 A HN 0.551 nan 8.150 nan 0.000 0.453 114 R N -0.877 119.709 120.500 0.143 0.000 2.317 114 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 114 R C 0.990 177.360 176.300 0.117 0.000 0.914 114 R CA 0.359 56.529 56.100 0.117 0.000 1.060 114 R CB 0.101 30.441 30.300 0.066 0.000 1.015 114 R HN 0.410 nan 8.270 nan 0.000 0.498 115 K N 0.239 120.713 120.400 0.124 0.000 2.374 115 K HA 0.212 4.531 4.320 -0.000 0.000 0.196 115 K C 0.400 177.020 176.600 0.033 0.000 1.023 115 K CA -0.171 56.155 56.287 0.065 0.000 1.103 115 K CB 0.949 33.474 32.500 0.042 0.000 0.848 115 K HN 0.036 nan 8.250 nan 0.000 0.528 116 A N 1.889 124.745 122.820 0.059 0.000 2.406 116 A HA 0.197 4.517 4.320 -0.000 0.000 0.243 116 A C -0.215 177.352 177.584 -0.028 0.000 1.082 116 A CA -0.032 51.968 52.037 -0.062 0.000 0.786 116 A CB 0.289 19.192 19.000 -0.161 0.000 1.029 116 A HN 0.220 nan 8.150 nan 0.000 0.495 117 R N 0.823 121.275 120.500 -0.080 0.000 2.360 117 R HA 0.554 4.894 4.340 -0.000 0.000 0.318 117 R C -1.342 174.890 176.300 -0.114 0.000 0.950 117 R CA -0.100 55.961 56.100 -0.066 0.000 0.837 117 R CB 1.204 31.467 30.300 -0.061 0.000 1.165 117 R HN 0.665 nan 8.270 nan 0.000 0.458 118 I N 1.909 122.397 120.570 -0.137 0.000 2.569 118 I HA 0.329 4.499 4.170 -0.000 0.000 0.296 118 I C 0.246 176.160 176.117 -0.338 0.000 1.028 118 I CA -0.770 60.352 61.300 -0.296 0.000 1.082 118 I CB 2.533 40.276 38.000 -0.429 0.000 1.264 118 I HN 0.559 nan 8.210 nan 0.000 0.429 119 T N 1.518 115.866 114.554 -0.343 0.000 2.888 119 T HA 0.702 5.052 4.350 -0.000 0.000 0.284 119 T C -0.868 173.654 174.700 -0.298 0.000 1.017 119 T CA -0.675 61.295 62.100 -0.217 0.000 1.022 119 T CB 1.413 70.227 68.868 -0.089 0.000 1.013 119 T HN 0.306 nan 8.240 nan 0.000 0.465 120 Y N -0.210 120.074 120.300 -0.028 0.000 2.633 120 Y HA 0.699 5.249 4.550 -0.000 0.000 0.339 120 Y C 0.071 175.953 175.900 -0.031 0.000 1.045 120 Y CA -1.633 56.445 58.100 -0.036 0.000 1.098 120 Y CB 1.978 40.410 38.460 -0.046 0.000 1.296 120 Y HN 0.956 nan 8.280 nan 0.000 0.494 121 A N 2.183 125.094 122.820 0.153 0.000 2.709 121 A HA 0.621 4.941 4.320 -0.000 0.000 0.332 121 A C -2.971 174.639 177.584 0.043 0.000 1.241 121 A CA -1.750 50.329 52.037 0.069 0.000 0.782 121 A CB -0.190 18.833 19.000 0.039 0.000 1.109 121 A HN 0.383 nan 8.150 nan 0.000 0.472 122 P HA 0.272 nan 4.420 nan 0.000 0.268 122 P C -0.152 177.137 177.300 -0.018 0.000 1.208 122 P CA 0.292 63.378 63.100 -0.024 0.000 0.777 122 P CB 0.541 32.218 31.700 -0.039 0.000 0.875 123 R N 2.129 122.611 120.500 -0.030 0.000 2.867 123 R HA 0.550 4.890 4.340 -0.000 0.000 0.268 123 R C -2.516 173.772 176.300 -0.019 0.000 1.014 123 R CA -2.131 53.959 56.100 -0.017 0.000 0.946 123 R CB 0.315 30.607 30.300 -0.013 0.000 1.208 123 R HN 0.288 nan 8.270 nan 0.000 0.477 124 P HA 0.099 nan 4.420 nan 0.000 0.267 124 P C -1.216 176.079 177.300 -0.008 0.000 1.205 124 P CA -0.110 62.986 63.100 -0.008 0.000 0.765 124 P CB 0.773 32.471 31.700 -0.003 0.000 0.828 125 A N 4.118 126.931 122.820 -0.013 0.000 2.305 125 A HA 0.538 4.858 4.320 -0.000 0.000 0.322 125 A C -0.035 177.539 177.584 -0.017 0.000 1.187 125 A CA -0.816 51.214 52.037 -0.013 0.000 0.825 125 A CB 0.214 19.199 19.000 -0.026 0.000 1.164 125 A HN 0.519 nan 8.150 nan 0.000 0.498 126 I N 3.395 123.956 120.570 -0.015 0.000 2.291 126 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 126 I C 0.260 176.340 176.117 -0.063 0.000 1.064 126 I CA 0.237 61.517 61.300 -0.034 0.000 1.269 126 I CB 0.648 38.629 38.000 -0.032 0.000 1.418 126 I HN 0.645 nan 8.210 nan 0.000 0.485 127 L N 5.076 126.251 121.223 -0.079 0.000 2.817 127 L HA 0.213 4.553 4.340 -0.000 0.000 0.248 127 L C 0.551 177.329 176.870 -0.153 0.000 1.133 127 L CA 0.104 54.861 54.840 -0.137 0.000 0.935 127 L CB 0.216 42.204 42.059 -0.119 0.000 1.266 127 L HN 0.624 nan 8.230 nan 0.000 0.535 128 T N -4.402 110.091 114.554 -0.102 0.000 2.906 128 T HA 0.377 4.727 4.350 -0.000 0.000 0.295 128 T C 0.805 175.456 174.700 -0.082 0.000 1.061 128 T CA -0.725 61.320 62.100 -0.090 0.000 1.000 128 T CB 2.252 71.091 68.868 -0.049 0.000 1.103 128 T HN -0.267 nan 8.240 nan 0.000 0.486 129 L N 1.570 122.746 121.223 -0.079 0.000 2.051 129 L HA -0.093 4.246 4.340 -0.000 0.000 0.214 129 L C 2.001 178.830 176.870 -0.068 0.000 1.076 129 L CA 1.942 56.737 54.840 -0.075 0.000 0.758 129 L CB -1.619 40.401 42.059 -0.065 0.000 0.890 129 L HN 0.806 nan 8.230 nan 0.000 0.433 130 D N -1.477 118.891 120.400 -0.053 0.000 2.097 130 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 130 D C 2.201 178.472 176.300 -0.048 0.000 0.984 130 D CA 0.968 54.939 54.000 -0.048 0.000 0.826 130 D CB -0.189 40.592 40.800 -0.031 0.000 0.973 130 D HN 0.397 nan 8.370 nan 0.000 0.460 131 Q N 0.434 120.207 119.800 -0.045 0.000 2.077 131 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 131 Q C 2.315 178.285 176.000 -0.051 0.000 0.989 131 Q CA 1.617 57.395 55.803 -0.042 0.000 0.853 131 Q CB -0.280 28.434 28.738 -0.039 0.000 0.907 131 Q HN 0.328 nan 8.270 nan 0.000 0.418 132 A N 0.370 123.153 122.820 -0.062 0.000 1.933 132 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 132 A C 1.986 179.528 177.584 -0.070 0.000 1.175 132 A CA 1.122 53.117 52.037 -0.070 0.000 0.628 132 A CB -0.462 18.490 19.000 -0.079 0.000 0.814 132 A HN 0.282 nan 8.150 nan 0.000 0.444 133 L N -0.546 120.631 121.223 -0.077 0.000 2.072 133 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 133 L C 2.861 179.693 176.870 -0.064 0.000 1.079 133 L CA 1.794 56.581 54.840 -0.089 0.000 0.752 133 L CB -0.991 40.997 42.059 -0.118 0.000 0.906 133 L HN 0.372 nan 8.230 nan 0.000 0.436 134 A N -0.801 121.987 122.820 -0.052 0.000 1.908 134 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 134 A C 2.225 179.789 177.584 -0.032 0.000 1.181 134 A CA 1.846 53.860 52.037 -0.038 0.000 0.627 134 A CB -0.851 18.130 19.000 -0.032 0.000 0.818 134 A HN 0.436 nan 8.150 nan 0.000 0.445 135 A N -1.918 120.880 122.820 -0.036 0.000 2.275 135 A HA 0.341 4.661 4.320 -0.000 0.000 0.212 135 A C 0.767 178.330 177.584 -0.035 0.000 1.201 135 A CA 1.095 53.113 52.037 -0.031 0.000 0.843 135 A CB -0.251 18.730 19.000 -0.033 0.000 0.873 135 A HN 0.563 nan 8.150 nan 0.000 0.492 136 D N -0.924 119.453 120.400 -0.039 0.000 2.800 136 D HA -0.155 4.485 4.640 -0.000 0.000 0.232 136 D C 0.022 176.285 176.300 -0.062 0.000 1.137 136 D CA 1.034 55.012 54.000 -0.037 0.000 0.718 136 D CB -1.578 39.209 40.800 -0.022 0.000 1.084 136 D HN 0.302 nan 8.370 nan 0.000 0.432 137 S N 0.306 115.957 115.700 -0.082 0.000 2.405 137 S HA 0.499 4.969 4.470 -0.000 0.000 0.291 137 S C 0.143 174.628 174.600 -0.192 0.000 1.137 137 S CA -0.132 57.989 58.200 -0.133 0.000 1.061 137 S CB 0.192 63.321 63.200 -0.117 0.000 1.001 137 S HN 0.460 nan 8.310 nan 0.000 0.507 138 R N 2.945 123.281 120.500 -0.273 0.000 2.747 138 R HA 0.483 4.823 4.340 -0.000 0.000 0.272 138 R C -1.727 174.307 176.300 -0.443 0.000 1.032 138 R CA -0.892 55.028 56.100 -0.301 0.000 0.896 138 R CB 0.506 30.756 30.300 -0.085 0.000 1.253 138 R HN 0.434 nan 8.270 nan 0.000 0.461 139 F N 0.604 120.547 119.950 -0.011 0.000 2.507 139 F HA 0.353 4.880 4.527 -0.000 0.000 0.327 139 F C 0.246 176.035 175.800 -0.018 0.000 1.068 139 F CA -0.406 57.582 58.000 -0.021 0.000 0.965 139 F CB 1.840 40.821 39.000 -0.032 0.000 1.192 139 F HN 0.787 nan 8.300 nan 0.000 0.476 140 E N 0.402 120.713 120.200 0.184 0.000 2.759 140 E HA -0.185 4.165 4.350 -0.000 0.000 0.280 140 E C 0.809 177.439 176.600 0.049 0.000 1.009 140 E CA 0.302 56.756 56.400 0.089 0.000 0.849 140 E CB -1.808 27.933 29.700 0.067 0.000 1.415 140 E HN 1.130 nan 8.360 nan 0.000 0.412 141 G N -0.181 108.644 108.800 0.042 0.000 2.467 141 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.302 141 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.302 141 G C 0.604 175.513 174.900 0.015 0.000 0.930 141 G CA 1.178 46.291 45.100 0.020 0.000 1.008 141 G HN 1.278 nan 8.290 nan 0.000 0.512 142 G N -1.303 107.506 108.800 0.015 0.000 2.335 142 G HA2 0.452 4.412 3.960 -0.000 0.000 0.592 142 G HA3 0.452 4.412 3.960 -0.000 0.000 0.592 142 G C -2.608 172.269 174.900 -0.038 0.000 1.442 142 G CA -0.229 44.874 45.100 0.006 0.000 0.976 142 G HN 0.605 nan 8.290 nan 0.000 0.652 143 P HA 0.462 nan 4.420 nan 0.000 0.272 143 P C -0.158 177.023 177.300 -0.199 0.000 1.230 143 P CA -0.248 62.669 63.100 -0.305 0.000 0.788 143 P CB 1.345 32.643 31.700 -0.669 0.000 0.949 144 V N 3.371 123.150 119.914 -0.226 0.000 2.394 144 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 144 V C 0.560 176.514 176.094 -0.234 0.000 1.031 144 V CA -0.385 61.807 62.300 -0.181 0.000 0.881 144 V CB 0.780 32.465 31.823 -0.230 0.000 0.982 144 V HN 0.359 nan 8.190 nan 0.000 0.451 145 I N 4.366 124.879 120.570 -0.095 0.000 2.436 145 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 145 I C -1.127 175.127 176.117 0.228 0.000 1.010 145 I CA -0.394 60.891 61.300 -0.025 0.000 1.098 145 I CB 1.986 40.003 38.000 0.029 0.000 1.266 145 I HN 0.494 nan 8.210 nan 0.000 0.434 146 W N 4.652 125.993 121.300 0.069 0.000 2.736 146 W HA 0.779 5.439 4.660 0.000 0.000 0.335 146 W C -0.434 176.152 176.519 0.113 0.000 1.059 146 W CA -1.577 55.837 57.345 0.114 0.000 1.226 146 W CB 1.929 31.506 29.460 0.194 0.000 1.416 146 W HN 0.424 nan 8.180 nan 0.000 0.505 147 A N 3.234 126.259 122.820 0.341 0.000 2.442 147 A HA 0.636 4.956 4.320 -0.000 0.000 0.284 147 A C -1.100 176.590 177.584 0.176 0.000 1.058 147 A CA -0.855 51.310 52.037 0.213 0.000 0.738 147 A CB 1.474 20.562 19.000 0.146 0.000 1.242 147 A HN 0.572 nan 8.150 nan 0.000 0.421 148 R N 2.461 123.061 120.500 0.167 0.000 2.295 148 R HA 0.560 4.900 4.340 -0.000 0.000 0.324 148 R C 0.695 177.045 176.300 0.084 0.000 0.968 148 R CA 1.006 57.185 56.100 0.131 0.000 0.837 148 R CB 0.983 31.379 30.300 0.159 0.000 1.133 148 R HN 2.187 nan 8.270 nan 0.000 0.450 149 G N 3.066 111.908 108.800 0.069 0.000 2.645 149 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 149 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 149 G C -1.072 173.854 174.900 0.042 0.000 1.331 149 G CA 0.024 45.154 45.100 0.050 0.000 0.890 149 G HN 0.639 nan 8.290 nan 0.000 0.572 150 D N 0.060 120.477 120.400 0.029 0.000 2.462 150 D HA 0.509 5.149 4.640 -0.000 0.000 0.245 150 D C 1.664 177.970 176.300 0.009 0.000 1.122 150 D CA 0.155 54.168 54.000 0.022 0.000 0.864 150 D CB 1.173 41.984 40.800 0.019 0.000 1.098 150 D HN 0.679 nan 8.370 nan 0.000 0.541 151 V N 2.708 122.626 119.914 0.006 0.000 2.379 151 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 151 V C 2.050 178.132 176.094 -0.019 0.000 1.044 151 V CA 0.938 63.230 62.300 -0.013 0.000 1.036 151 V CB -0.516 31.296 31.823 -0.019 0.000 0.664 151 V HN 0.436 nan 8.190 nan 0.000 0.453 152 E N 1.016 121.209 120.200 -0.011 0.000 2.058 152 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 152 E C 2.341 178.933 176.600 -0.015 0.000 0.997 152 E CA 2.075 58.467 56.400 -0.015 0.000 0.801 152 E CB -0.796 28.900 29.700 -0.007 0.000 0.746 152 E HN 0.638 nan 8.360 nan 0.000 0.450 153 T N 1.437 115.987 114.554 -0.008 0.000 2.684 153 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 153 T C 1.985 176.677 174.700 -0.013 0.000 1.036 153 T CA 1.694 63.789 62.100 -0.007 0.000 1.148 153 T CB -0.219 68.649 68.868 0.000 0.000 0.863 153 T HN 0.311 nan 8.240 nan 0.000 0.436 154 A N 0.697 123.508 122.820 -0.015 0.000 2.014 154 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 154 A C 2.212 179.778 177.584 -0.031 0.000 1.163 154 A CA 0.863 52.888 52.037 -0.020 0.000 0.652 154 A CB -0.592 18.396 19.000 -0.020 0.000 0.808 154 A HN 0.489 nan 8.150 nan 0.000 0.449 155 L N -1.037 120.164 121.223 -0.037 0.000 2.240 155 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 155 L C 2.961 179.804 176.870 -0.043 0.000 1.106 155 L CA 0.735 55.547 54.840 -0.047 0.000 0.793 155 L CB -0.464 41.562 42.059 -0.056 0.000 0.927 155 L HN 0.393 nan 8.230 nan 0.000 0.446 156 A N 0.447 123.246 122.820 -0.035 0.000 1.933 156 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 156 A C 2.092 179.654 177.584 -0.036 0.000 1.175 156 A CA 1.638 53.655 52.037 -0.033 0.000 0.628 156 A CB -0.907 18.078 19.000 -0.025 0.000 0.814 156 A HN 0.413 nan 8.150 nan 0.000 0.444 157 G N -0.959 107.822 108.800 -0.033 0.000 3.448 157 G HA2 0.456 4.416 3.960 -0.000 0.000 0.261 157 G HA3 0.456 4.416 3.960 -0.000 0.000 0.261 157 G C 0.311 175.185 174.900 -0.043 0.000 1.173 157 G CA 0.516 45.595 45.100 -0.034 0.000 0.835 157 G HN 0.716 nan 8.290 nan 0.000 0.534 158 A N 0.154 122.943 122.820 -0.051 0.000 2.289 158 A HA 0.700 5.020 4.320 -0.000 0.000 0.298 158 A C 1.521 179.047 177.584 -0.098 0.000 1.208 158 A CA 0.263 52.266 52.037 -0.057 0.000 0.845 158 A CB 1.008 19.979 19.000 -0.047 0.000 1.125 158 A HN 0.599 nan 8.150 nan 0.000 0.517 159 A N 2.326 125.072 122.820 -0.124 0.000 1.978 159 A HA 0.046 4.366 4.320 -0.000 0.000 0.220 159 A C 0.775 178.050 177.584 -0.516 0.000 1.170 159 A CA 1.653 53.513 52.037 -0.295 0.000 0.636 159 A CB -0.433 18.403 19.000 -0.272 0.000 0.810 159 A HN 0.919 nan 8.150 nan 0.000 0.448 160 H N -3.434 115.597 119.070 -0.065 0.000 2.930 160 H HA 0.724 5.280 4.556 -0.000 0.000 0.371 160 H C -1.250 174.016 175.328 -0.103 0.000 1.169 160 H CA -0.595 55.403 56.048 -0.083 0.000 1.157 160 H CB 1.850 31.561 29.762 -0.085 0.000 1.789 160 H HN 0.228 nan 8.280 nan 0.000 0.547 161 L N 1.386 122.614 121.223 0.008 0.000 2.505 161 L HA 0.836 5.176 4.340 -0.000 0.000 0.259 161 L C -1.522 175.251 176.870 -0.163 0.000 0.952 161 L CA -0.374 54.419 54.840 -0.078 0.000 0.840 161 L CB 1.954 43.965 42.059 -0.080 0.000 1.358 161 L HN 0.829 nan 8.230 nan 0.000 0.409 162 A N 3.268 125.963 122.820 -0.208 0.000 2.422 162 A HA 0.842 5.162 4.320 -0.000 0.000 0.302 162 A C -1.437 176.011 177.584 -0.227 0.000 1.041 162 A CA -0.548 51.260 52.037 -0.382 0.000 0.708 162 A CB 1.464 20.091 19.000 -0.622 0.000 1.257 162 A HN 0.653 nan 8.150 nan 0.000 0.414 163 E N 0.694 120.727 120.200 -0.278 0.000 2.238 163 E HA 0.688 5.038 4.350 -0.000 0.000 0.267 163 E C -0.220 176.171 176.600 -0.348 0.000 0.887 163 E CA -0.925 55.311 56.400 -0.274 0.000 0.769 163 E CB 2.581 32.169 29.700 -0.186 0.000 1.187 163 E HN 0.983 nan 8.360 nan 0.000 0.416 164 G N 0.153 108.437 108.800 -0.860 0.000 2.601 164 G HA2 0.457 4.417 3.960 -0.000 0.000 0.291 164 G HA3 0.457 4.417 3.960 -0.000 0.000 0.291 164 G C -1.773 172.695 174.900 -0.720 0.000 1.456 164 G CA -0.491 44.185 45.100 -0.707 0.000 0.804 164 G HN 0.594 nan 8.290 nan 0.000 0.499 165 C N 1.054 120.343 119.300 -0.018 0.000 2.686 165 C HA 0.960 5.420 4.460 -0.000 0.000 0.318 165 C C -1.264 174.016 174.990 0.483 0.000 1.160 165 C CA -1.068 58.072 59.018 0.204 0.000 1.396 165 C CB -0.103 27.703 27.740 0.109 0.000 1.924 165 C HN 1.347 nan 8.230 nan 0.000 0.471 166 F N 3.626 123.728 119.950 0.252 0.000 2.678 166 F HA 0.713 5.240 4.527 -0.000 0.000 0.308 166 F C -0.836 175.060 175.800 0.159 0.000 1.118 166 F CA -0.667 57.459 58.000 0.211 0.000 0.959 166 F CB 1.078 40.235 39.000 0.262 0.000 1.305 166 F HN 0.476 nan 8.300 nan 0.000 0.443 167 E N 3.320 123.463 120.200 -0.095 0.000 2.283 167 E HA 0.556 4.906 4.350 -0.000 0.000 0.271 167 E C -0.820 175.578 176.600 -0.337 0.000 1.031 167 E CA -0.716 55.570 56.400 -0.189 0.000 0.868 167 E CB 2.766 32.450 29.700 -0.026 0.000 1.094 167 E HN 0.640 nan 8.360 nan 0.000 0.401 168 I N 1.223 121.632 120.570 -0.269 0.000 2.497 168 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 168 I C 0.428 176.518 176.117 -0.045 0.000 1.060 168 I CA -0.770 60.369 61.300 -0.269 0.000 1.071 168 I CB 1.855 39.672 38.000 -0.305 0.000 1.216 168 I HN 0.444 nan 8.210 nan 0.000 0.442 169 G N 3.684 112.461 108.800 -0.039 0.000 2.569 169 G HA2 0.472 4.432 3.960 -0.000 0.000 0.249 169 G HA3 0.472 4.432 3.960 -0.000 0.000 0.249 169 G C 0.551 175.627 174.900 0.293 0.000 1.216 169 G CA -0.007 45.161 45.100 0.113 0.000 0.845 169 G HN 0.692 nan 8.290 nan 0.000 0.568 170 G N -1.184 107.798 108.800 0.303 0.000 2.481 170 G HA2 0.464 4.424 3.960 -0.000 0.000 0.251 170 G HA3 0.464 4.424 3.960 -0.000 0.000 0.251 170 G C -0.079 175.014 174.900 0.321 0.000 1.492 170 G CA 0.001 45.288 45.100 0.311 0.000 1.060 170 G HN 0.774 nan 8.290 nan 0.000 0.553 171 Q N -1.701 118.183 119.800 0.140 0.000 2.468 171 Q HA 0.334 4.674 4.340 -0.000 0.000 0.263 171 Q C -1.976 174.080 176.000 0.094 0.000 0.979 171 Q CA -0.681 55.188 55.803 0.110 0.000 0.932 171 Q CB 2.002 30.527 28.738 -0.355 0.000 1.462 171 Q HN 0.503 nan 8.270 nan 0.000 0.403 172 E N 1.376 121.629 120.200 0.088 0.000 2.156 172 E HA 0.231 4.581 4.350 -0.000 0.000 0.279 172 E C -0.261 176.383 176.600 0.073 0.000 0.965 172 E CA 0.160 56.486 56.400 -0.122 0.000 0.789 172 E CB 0.735 30.058 29.700 -0.628 0.000 1.098 172 E HN 0.719 nan 8.360 nan 0.000 0.397 173 H N 3.902 122.948 119.070 -0.041 0.000 2.357 173 H HA -0.125 4.431 4.556 -0.000 0.000 0.296 173 H C 0.080 175.284 175.328 -0.207 0.000 1.108 173 H CA 1.689 57.508 56.048 -0.381 0.000 1.273 173 H CB -0.303 29.141 29.762 -0.530 0.000 1.367 173 H HN 0.624 nan 8.280 nan 0.000 0.498 174 F N 0.521 120.256 119.950 -0.359 0.000 2.907 174 F HA -0.260 4.267 4.527 -0.000 0.000 0.244 174 F C -0.721 174.978 175.800 -0.169 0.000 1.007 174 F CA -0.330 57.507 58.000 -0.272 0.000 0.872 174 F CB -1.758 37.221 39.000 -0.036 0.000 0.767 174 F HN 0.138 nan 8.300 nan 0.000 0.837 175 Y N -0.153 120.192 120.300 0.075 0.000 2.425 175 Y HA 0.267 4.817 4.550 -0.000 0.000 0.331 175 Y C 1.084 176.916 175.900 -0.113 0.000 1.157 175 Y CA -1.477 56.711 58.100 0.146 0.000 1.372 175 Y CB 0.144 38.657 38.460 0.088 0.000 1.253 175 Y HN 0.101 nan 8.280 nan 0.000 0.536 176 L N 1.067 122.352 121.223 0.103 0.000 2.083 176 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 176 L C 1.058 177.880 176.870 -0.081 0.000 1.083 176 L CA 1.480 56.293 54.840 -0.045 0.000 0.752 176 L CB -0.589 41.462 42.059 -0.012 0.000 0.899 176 L HN 0.879 nan 8.230 nan 0.000 0.433 177 E N -0.082 120.072 120.200 -0.077 0.000 2.174 177 E HA 0.354 4.704 4.350 -0.000 0.000 0.282 177 E C 0.035 176.605 176.600 -0.050 0.000 0.992 177 E CA -0.271 56.044 56.400 -0.142 0.000 0.803 177 E CB 1.427 30.964 29.700 -0.272 0.000 1.090 177 E HN 0.181 nan 8.360 nan 0.000 0.396 178 G N 2.994 111.776 108.800 -0.031 0.000 2.588 178 G HA2 0.064 4.024 3.960 -0.000 0.000 0.281 178 G HA3 0.064 4.024 3.960 -0.000 0.000 0.281 178 G C -0.154 174.640 174.900 -0.177 0.000 1.236 178 G CA -0.525 44.583 45.100 0.013 0.000 0.969 178 G HN 0.565 nan 8.290 nan 0.000 0.504 179 Q N -0.760 118.932 119.800 -0.179 0.000 2.361 179 Q HA 0.438 4.778 4.340 -0.000 0.000 0.276 179 Q C 0.074 175.881 176.000 -0.321 0.000 1.022 179 Q CA 0.626 56.242 55.803 -0.312 0.000 0.898 179 Q CB 1.197 29.742 28.738 -0.321 0.000 1.246 179 Q HN 0.779 nan 8.270 nan 0.000 0.410 180 A N 0.219 122.877 122.820 -0.269 0.000 2.590 180 A HA 0.793 5.113 4.320 -0.000 0.000 0.294 180 A C -1.751 175.745 177.584 -0.146 0.000 1.046 180 A CA 0.065 51.978 52.037 -0.206 0.000 0.684 180 A CB 1.364 20.285 19.000 -0.132 0.000 1.279 180 A HN 0.823 nan 8.150 nan 0.000 0.415 181 A N -0.267 122.485 122.820 -0.114 0.000 2.586 181 A HA 0.949 5.269 4.320 -0.000 0.000 0.290 181 A C -1.999 175.554 177.584 -0.051 0.000 1.086 181 A CA -0.038 51.958 52.037 -0.070 0.000 0.665 181 A CB 1.293 20.245 19.000 -0.080 0.000 1.279 181 A HN 2.510 nan 8.150 nan 0.000 0.423 182 L N -0.475 120.738 121.223 -0.016 0.000 2.549 182 L HA 0.883 5.223 4.340 -0.000 0.000 0.259 182 L C -0.763 176.116 176.870 0.015 0.000 0.934 182 L CA 0.201 55.033 54.840 -0.013 0.000 0.865 182 L CB 1.619 43.680 42.059 0.003 0.000 1.352 182 L HN 1.885 nan 8.230 nan 0.000 0.410 183 A N 5.075 127.890 122.820 -0.009 0.000 2.371 183 A HA 0.892 5.212 4.320 -0.000 0.000 0.311 183 A C -1.620 175.966 177.584 0.004 0.000 1.068 183 A CA -0.519 51.516 52.037 -0.003 0.000 0.744 183 A CB 1.316 20.298 19.000 -0.029 0.000 1.239 183 A HN 0.735 nan 8.150 nan 0.000 0.435 184 L N 3.051 124.285 121.223 0.018 0.000 2.349 184 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 184 L C -2.439 174.435 176.870 0.007 0.000 0.996 184 L CA -2.153 52.698 54.840 0.017 0.000 0.825 184 L CB 2.044 44.127 42.059 0.041 0.000 1.243 184 L HN 0.413 nan 8.230 nan 0.000 0.412 185 P HA 0.087 nan 4.420 nan 0.000 0.265 185 P C -0.630 176.673 177.300 0.005 0.000 1.193 185 P CA -0.050 63.053 63.100 0.006 0.000 0.765 185 P CB 0.975 32.681 31.700 0.010 0.000 0.823 186 A N 3.199 126.020 122.820 0.002 0.000 3.127 186 A HA 0.310 4.630 4.320 -0.000 0.000 0.319 186 A C 0.053 177.635 177.584 -0.002 0.000 1.104 186 A CA -0.607 51.430 52.037 -0.000 0.000 0.802 186 A CB -0.258 18.740 19.000 -0.004 0.000 1.193 186 A HN 0.675 nan 8.150 nan 0.000 0.479 187 E N 0.638 120.838 120.200 0.001 0.000 2.235 187 E HA -0.205 4.145 4.350 -0.000 0.000 0.176 187 E C 0.923 177.523 176.600 -0.000 0.000 1.687 187 E CA 0.897 57.297 56.400 0.000 0.000 0.617 187 E CB -1.740 27.957 29.700 -0.004 0.000 1.030 187 E HN 2.239 nan 8.360 nan 0.000 0.307 188 G N 1.229 110.034 108.800 0.007 0.000 2.336 188 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.233 188 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.233 188 G C 0.560 175.467 174.900 0.013 0.000 1.053 188 G CA 0.201 45.308 45.100 0.011 0.000 0.625 188 G HN 1.297 nan 8.290 nan 0.000 0.511 189 G N -1.153 107.650 108.800 0.005 0.000 3.107 189 G HA2 0.896 4.856 3.960 -0.000 0.000 0.232 189 G HA3 0.896 4.856 3.960 -0.000 0.000 0.232 189 G C -0.358 174.541 174.900 -0.003 0.000 1.339 189 G CA 0.463 45.566 45.100 0.006 0.000 1.033 189 G HN 1.432 nan 8.290 nan 0.000 0.567 190 V N -2.822 117.084 119.914 -0.014 0.000 3.167 190 V HA 0.827 4.947 4.120 -0.000 0.000 0.310 190 V C -0.790 175.281 176.094 -0.038 0.000 1.207 190 V CA -1.021 61.266 62.300 -0.022 0.000 1.059 190 V CB 1.504 33.309 31.823 -0.029 0.000 1.079 190 V HN 0.554 nan 8.190 nan 0.000 0.446 191 V N 2.316 122.205 119.914 -0.042 0.000 2.588 191 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 191 V C -0.797 175.237 176.094 -0.101 0.000 1.042 191 V CA -0.343 61.908 62.300 -0.081 0.000 0.877 191 V CB 1.690 33.476 31.823 -0.061 0.000 0.996 191 V HN 0.668 nan 8.190 nan 0.000 0.425 192 I N 4.202 124.669 120.570 -0.171 0.000 2.433 192 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 192 I C -0.330 175.627 176.117 -0.268 0.000 1.001 192 I CA -0.485 60.729 61.300 -0.143 0.000 1.119 192 I CB 1.808 39.744 38.000 -0.108 0.000 1.289 192 I HN 0.577 nan 8.210 nan 0.000 0.438 193 H N 4.824 123.864 119.070 -0.050 0.000 2.469 193 H HA 0.621 5.177 4.556 -0.000 0.000 0.342 193 H C -0.435 174.859 175.328 -0.056 0.000 1.115 193 H CA -0.299 55.721 56.048 -0.047 0.000 1.204 193 H CB 2.482 32.219 29.762 -0.042 0.000 1.492 193 H HN 0.814 nan 8.280 nan 0.000 0.499 194 C N 0.400 119.722 119.300 0.037 0.000 3.320 194 C HA 0.445 4.905 4.460 -0.000 0.000 0.335 194 C C 0.348 175.321 174.990 -0.028 0.000 1.430 194 C CA -1.146 57.862 59.018 -0.016 0.000 1.271 194 C CB 1.343 29.053 27.740 -0.051 0.000 1.609 194 C HN 0.697 nan 8.230 nan 0.000 0.457 195 S N 1.350 117.009 115.700 -0.069 0.000 2.921 195 S HA 0.639 5.109 4.470 -0.000 0.000 0.244 195 S C -0.263 174.261 174.600 -0.126 0.000 1.291 195 S CA 0.207 58.353 58.200 -0.089 0.000 1.010 195 S CB -0.710 62.412 63.200 -0.130 0.000 1.255 195 S HN 1.421 nan 8.310 nan 0.000 0.492 196 S N 3.161 118.808 115.700 -0.088 0.000 2.549 196 S HA 0.408 4.878 4.470 -0.000 0.000 0.280 196 S C 0.319 174.886 174.600 -0.055 0.000 1.109 196 S CA -0.626 57.524 58.200 -0.084 0.000 0.905 196 S CB 1.643 64.810 63.200 -0.055 0.000 1.081 196 S HN 0.646 nan 8.310 nan 0.000 0.477 197 Q N 1.408 121.178 119.800 -0.050 0.000 2.444 197 Q HA 0.136 4.476 4.340 -0.000 0.000 0.206 197 Q C 0.018 176.050 176.000 0.053 0.000 0.948 197 Q CA 0.453 56.237 55.803 -0.031 0.000 0.946 197 Q CB -0.007 28.693 28.738 -0.062 0.000 1.027 197 Q HN 0.781 nan 8.270 nan 0.000 0.513 198 H N -0.127 118.911 119.070 -0.055 0.000 2.712 198 H HA 0.130 4.686 4.556 -0.000 0.000 0.226 198 H C -1.934 173.362 175.328 -0.053 0.000 1.422 198 H CA -2.026 53.994 56.048 -0.046 0.000 1.270 198 H CB 0.992 30.726 29.762 -0.047 0.000 1.891 198 H HN 0.002 nan 8.280 nan 0.000 0.518 199 P HA -0.184 nan 4.420 nan 0.000 0.217 199 P C 1.441 178.695 177.300 -0.076 0.000 1.151 199 P CA 1.196 64.282 63.100 -0.024 0.000 0.849 199 P CB 0.395 32.089 31.700 -0.011 0.000 0.787 200 S N -0.344 115.341 115.700 -0.025 0.000 2.423 200 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 200 S C 2.007 176.432 174.600 -0.293 0.000 1.014 200 S CA 1.202 59.344 58.200 -0.096 0.000 0.965 200 S CB -0.555 62.668 63.200 0.038 0.000 0.785 200 S HN 0.379 nan 8.310 nan 0.000 0.495 201 E N 1.160 120.970 120.200 -0.650 0.000 2.046 201 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 201 E C 1.850 178.253 176.600 -0.328 0.000 0.982 201 E CA 0.919 56.952 56.400 -0.611 0.000 0.800 201 E CB -0.086 29.074 29.700 -0.901 0.000 0.756 201 E HN 0.268 nan 8.360 nan 0.000 0.449 202 I N 1.626 122.040 120.570 -0.260 0.000 2.151 202 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 202 I C 2.640 178.636 176.117 -0.202 0.000 1.080 202 I CA 1.687 62.883 61.300 -0.174 0.000 1.339 202 I CB -1.437 36.485 38.000 -0.129 0.000 1.039 202 I HN 0.438 nan 8.210 nan 0.000 0.409 203 Q N 0.403 120.066 119.800 -0.227 0.000 2.014 203 Q HA -0.309 4.031 4.340 -0.000 0.000 0.207 203 Q C 2.385 178.096 176.000 -0.482 0.000 0.993 203 Q CA 2.368 57.997 55.803 -0.289 0.000 0.850 203 Q CB -0.356 28.231 28.738 -0.253 0.000 0.916 203 Q HN 0.621 nan 8.270 nan 0.000 0.417 204 H N -0.074 118.567 119.070 -0.714 0.000 2.289 204 H HA -0.145 4.411 4.556 -0.000 0.000 0.294 204 H C 1.975 176.921 175.328 -0.636 0.000 1.095 204 H CA 2.126 57.605 56.048 -0.947 0.000 1.256 204 H CB 0.274 29.701 29.762 -0.559 0.000 1.359 204 H HN 0.098 nan 8.280 nan 0.000 0.487 205 K N -0.081 120.252 120.400 -0.112 0.000 2.057 205 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 205 K C 2.324 178.879 176.600 -0.075 0.000 1.050 205 K CA 1.038 57.312 56.287 -0.022 0.000 0.935 205 K CB -0.331 32.143 32.500 -0.043 0.000 0.715 205 K HN 0.229 nan 8.250 nan 0.000 0.439 206 V N 1.730 121.563 119.914 -0.136 0.000 2.515 206 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 206 V C 2.441 178.461 176.094 -0.124 0.000 1.058 206 V CA 1.824 64.061 62.300 -0.105 0.000 1.064 206 V CB -0.629 31.126 31.823 -0.114 0.000 0.675 206 V HN 0.284 nan 8.190 nan 0.000 0.461 207 A N -0.889 121.780 122.820 -0.251 0.000 1.902 207 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 207 A C 1.981 179.502 177.584 -0.105 0.000 1.181 207 A CA 2.013 53.911 52.037 -0.231 0.000 0.623 207 A CB -0.811 17.948 19.000 -0.403 0.000 0.818 207 A HN 0.721 nan 8.150 nan 0.000 0.443 208 H N -1.097 117.931 119.070 -0.070 0.000 2.462 208 H HA 0.134 4.690 4.556 -0.000 0.000 0.292 208 H C 2.345 177.673 175.328 0.000 0.000 1.049 208 H CA 0.536 56.572 56.048 -0.020 0.000 1.334 208 H CB 0.092 29.872 29.762 0.030 0.000 1.404 208 H HN 0.563 nan 8.280 nan 0.000 0.544 209 A N 0.524 123.415 122.820 0.120 0.000 2.066 209 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 209 A C 1.985 179.639 177.584 0.117 0.000 1.157 209 A CA 0.842 52.946 52.037 0.112 0.000 0.670 209 A CB -0.134 18.905 19.000 0.066 0.000 0.804 209 A HN 0.330 nan 8.150 nan 0.000 0.453 210 L N -1.922 119.324 121.223 0.040 0.000 2.616 210 L HA 0.236 4.576 4.340 -0.000 0.000 0.229 210 L C 1.555 178.328 176.870 -0.163 0.000 1.110 210 L CA 0.593 55.452 54.840 0.031 0.000 0.884 210 L CB 0.148 42.210 42.059 0.004 0.000 1.115 210 L HN 0.555 nan 8.230 nan 0.000 0.481 211 G N 0.984 109.579 108.800 -0.341 0.000 2.132 211 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.234 211 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.234 211 G C -0.005 174.766 174.900 -0.215 0.000 0.989 211 G CA -0.093 44.641 45.100 -0.611 0.000 0.676 211 G HN 0.209 nan 8.290 nan 0.000 0.522 212 L N 0.265 121.434 121.223 -0.091 0.000 2.344 212 L HA 0.816 5.156 4.340 -0.000 0.000 0.272 212 L C 1.085 177.970 176.870 0.026 0.000 1.035 212 L CA -0.658 54.171 54.840 -0.018 0.000 0.807 212 L CB 1.585 43.645 42.059 0.002 0.000 1.237 212 L HN 0.276 nan 8.230 nan 0.000 0.442 213 A N 0.855 123.678 122.820 0.006 0.000 2.406 213 A HA 0.256 4.576 4.320 -0.000 0.000 0.243 213 A C 0.687 178.320 177.584 0.082 0.000 1.082 213 A CA -0.118 51.863 52.037 -0.094 0.000 0.786 213 A CB 0.023 18.775 19.000 -0.414 0.000 1.029 213 A HN 0.619 nan 8.150 nan 0.000 0.495 214 F N 0.793 120.584 119.950 -0.264 0.000 2.216 214 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 214 F C 2.345 178.118 175.800 -0.046 0.000 1.085 214 F CA 1.887 59.782 58.000 -0.175 0.000 1.326 214 F CB -1.316 37.576 39.000 -0.180 0.000 1.027 214 F HN 0.895 nan 8.300 nan 0.000 0.497 215 H N -2.037 117.106 119.070 0.122 0.000 2.543 215 H HA -0.068 4.488 4.556 -0.000 0.000 0.286 215 H C 0.365 175.704 175.328 0.019 0.000 1.037 215 H CA 1.031 57.107 56.048 0.047 0.000 1.250 215 H CB -0.266 29.505 29.762 0.015 0.000 1.373 215 H HN 0.143 nan 8.280 nan 0.000 0.580 216 D N 1.365 121.957 120.400 0.319 0.000 2.363 216 D HA 0.166 4.806 4.640 -0.000 0.000 0.214 216 D C -0.354 175.977 176.300 0.052 0.000 1.093 216 D CA 0.069 54.153 54.000 0.141 0.000 0.837 216 D CB 1.173 42.057 40.800 0.141 0.000 0.948 216 D HN 0.161 nan 8.370 nan 0.000 0.507 217 V N 1.304 121.237 119.914 0.032 0.000 2.483 217 V HA 0.343 4.463 4.120 -0.000 0.000 0.297 217 V C -0.014 176.050 176.094 -0.050 0.000 1.027 217 V CA -0.927 61.352 62.300 -0.035 0.000 0.855 217 V CB 2.759 34.526 31.823 -0.094 0.000 0.995 217 V HN -0.085 nan 8.190 nan 0.000 0.424 218 R N 3.865 124.326 120.500 -0.066 0.000 2.562 218 R HA 0.851 5.191 4.340 -0.000 0.000 0.298 218 R C -2.009 174.214 176.300 -0.127 0.000 0.961 218 R CA -0.378 55.675 56.100 -0.079 0.000 0.881 218 R CB 2.167 32.425 30.300 -0.069 0.000 1.159 218 R HN 0.496 nan 8.270 nan 0.000 0.450 219 V N 3.498 123.335 119.914 -0.129 0.000 2.588 219 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 219 V C -0.731 175.270 176.094 -0.156 0.000 1.042 219 V CA -0.771 61.434 62.300 -0.158 0.000 0.877 219 V CB 1.951 33.701 31.823 -0.122 0.000 0.996 219 V HN 0.845 nan 8.190 nan 0.000 0.425 220 E N 3.899 123.967 120.200 -0.220 0.000 2.272 220 E HA 0.736 5.086 4.350 -0.000 0.000 0.269 220 E C -1.163 175.390 176.600 -0.079 0.000 0.877 220 E CA -0.914 55.392 56.400 -0.156 0.000 0.755 220 E CB 2.709 32.281 29.700 -0.213 0.000 1.192 220 E HN 0.626 nan 8.360 nan 0.000 0.422 221 M N 2.292 121.882 119.600 -0.016 0.000 2.277 221 M HA 0.386 4.866 4.480 -0.000 0.000 0.282 221 M C -0.739 175.583 176.300 0.036 0.000 1.074 221 M CA -0.358 54.952 55.300 0.016 0.000 0.954 221 M CB 1.818 34.415 32.600 -0.006 0.000 1.672 221 M HN 0.393 nan 8.290 nan 0.000 0.471 222 R N 3.206 123.736 120.500 0.050 0.000 2.167 222 R HA 0.507 4.847 4.340 -0.000 0.000 0.201 222 R C -0.353 175.993 176.300 0.077 0.000 1.024 222 R CA 1.336 57.466 56.100 0.050 0.000 1.053 222 R CB 0.582 30.894 30.300 0.021 0.000 0.987 222 R HN 0.806 nan 8.270 nan 0.000 0.493 223 R N -0.953 119.582 120.500 0.059 0.000 2.687 223 R HA 0.369 4.709 4.340 -0.000 0.000 0.265 223 R C -1.600 174.766 176.300 0.109 0.000 1.048 223 R CA -0.796 55.356 56.100 0.086 0.000 0.884 223 R CB 0.812 31.162 30.300 0.083 0.000 1.258 223 R HN 0.023 nan 8.270 nan 0.000 0.469 224 M N 0.880 120.538 119.600 0.097 0.000 2.528 224 M HA 0.404 4.884 4.480 -0.000 0.000 0.321 224 M C 0.796 177.144 176.300 0.079 0.000 1.153 224 M CA -0.677 54.661 55.300 0.065 0.000 0.951 224 M CB 2.398 34.943 32.600 -0.092 0.000 1.705 224 M HN 0.946 nan 8.290 nan 0.000 0.451 225 G N 1.302 110.077 108.800 -0.041 0.000 3.397 225 G HA2 0.460 4.420 3.960 -0.000 0.000 0.248 225 G HA3 0.460 4.420 3.960 -0.000 0.000 0.248 225 G C 0.353 175.170 174.900 -0.137 0.000 1.284 225 G CA 0.359 45.321 45.100 -0.230 0.000 1.570 225 G HN 1.091 nan 8.290 nan 0.000 0.587 226 G N -1.983 106.710 108.800 -0.179 0.000 2.885 226 G HA2 0.395 4.355 3.960 -0.000 0.000 0.685 226 G HA3 0.395 4.355 3.960 -0.000 0.000 0.685 226 G C 0.404 175.063 174.900 -0.403 0.000 1.216 226 G CA -0.350 44.548 45.100 -0.337 0.000 0.790 226 G HN 1.008 nan 8.290 nan 0.000 0.631 227 G N -0.195 108.125 108.800 -0.800 0.000 2.619 227 G HA2 0.555 4.515 3.960 -0.000 0.000 0.201 227 G HA3 0.555 4.515 3.960 -0.000 0.000 0.201 227 G C 0.856 175.595 174.900 -0.269 0.000 1.188 227 G CA 0.821 45.655 45.100 -0.443 0.000 0.663 227 G HN 1.706 nan 8.290 nan 0.000 0.757 228 F N 1.002 120.901 119.950 -0.086 0.000 3.084 228 F HA -0.189 4.338 4.527 -0.000 0.000 0.286 228 F C 1.944 177.630 175.800 -0.189 0.000 0.855 228 F CA 0.816 58.740 58.000 -0.126 0.000 1.091 228 F CB -1.544 37.350 39.000 -0.176 0.000 1.177 228 F HN 1.114 nan 8.300 nan 0.000 0.542 229 G N -0.971 107.793 108.800 -0.060 0.000 2.299 229 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.237 229 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.237 229 G C 1.190 175.965 174.900 -0.207 0.000 1.027 229 G CA 0.163 45.244 45.100 -0.031 0.000 0.619 229 G HN 1.318 nan 8.290 nan 0.000 0.513 230 G N 0.056 108.428 108.800 -0.712 0.000 2.615 230 G HA2 0.156 4.116 3.960 -0.000 0.000 0.213 230 G HA3 0.156 4.116 3.960 -0.000 0.000 0.213 230 G C 1.130 175.854 174.900 -0.292 0.000 1.135 230 G CA 1.491 46.045 45.100 -0.909 0.000 0.772 230 G HN 0.568 nan 8.290 nan 0.000 0.542 231 K N -0.752 119.514 120.400 -0.223 0.000 2.533 231 K HA 0.145 4.465 4.320 -0.000 0.000 0.202 231 K C 1.316 177.873 176.600 -0.071 0.000 1.096 231 K CA -0.095 56.087 56.287 -0.175 0.000 1.056 231 K CB 0.730 33.072 32.500 -0.263 0.000 0.890 231 K HN 0.314 nan 8.250 nan 0.000 0.552 232 E N 1.178 121.362 120.200 -0.027 0.000 2.106 232 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 232 E C 1.444 178.104 176.600 0.099 0.000 0.984 232 E CA 1.848 58.279 56.400 0.050 0.000 0.806 232 E CB 0.338 30.082 29.700 0.072 0.000 0.750 232 E HN 0.225 nan 8.360 nan 0.000 0.458 233 S N -1.747 113.997 115.700 0.075 0.000 2.692 233 S HA 0.067 4.537 4.470 -0.000 0.000 0.269 233 S C 1.417 176.075 174.600 0.098 0.000 1.080 233 S CA -0.565 57.685 58.200 0.083 0.000 1.058 233 S CB 0.071 63.328 63.200 0.095 0.000 0.982 233 S HN 0.021 nan 8.310 nan 0.000 0.534 234 Q N 1.807 121.662 119.800 0.092 0.000 2.561 234 Q HA 0.152 4.492 4.340 -0.000 0.000 0.217 234 Q C 1.676 177.751 176.000 0.124 0.000 0.980 234 Q CA 1.173 57.052 55.803 0.128 0.000 0.927 234 Q CB -0.979 27.821 28.738 0.103 0.000 0.980 234 Q HN 0.761 nan 8.270 nan 0.000 0.525 235 G N 0.374 109.211 108.800 0.062 0.000 2.551 235 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 235 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 235 G C 1.229 176.173 174.900 0.074 0.000 1.137 235 G CA 0.054 45.164 45.100 0.017 0.000 0.798 235 G HN 0.438 nan 8.290 nan 0.000 0.536 236 N N 0.323 119.091 118.700 0.114 0.000 2.094 236 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 236 N C 1.829 177.424 175.510 0.142 0.000 1.023 236 N CA 1.270 54.370 53.050 0.083 0.000 0.857 236 N CB -0.250 38.256 38.487 0.032 0.000 1.013 236 N HN 0.358 nan 8.380 nan 0.000 0.426 237 H N 0.451 119.602 119.070 0.135 0.000 2.353 237 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 237 H C 1.995 177.460 175.328 0.228 0.000 1.090 237 H CA 0.971 57.161 56.048 0.236 0.000 1.327 237 H CB -0.321 29.667 29.762 0.377 0.000 1.383 237 H HN 0.108 nan 8.280 nan 0.000 0.508 238 L N 0.032 121.398 121.223 0.237 0.000 2.027 238 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 238 L C 2.694 179.563 176.870 -0.000 0.000 1.074 238 L CA 1.536 56.392 54.840 0.027 0.000 0.745 238 L CB -0.837 41.128 42.059 -0.158 0.000 0.898 238 L HN 0.304 nan 8.230 nan 0.000 0.433 239 A N -0.216 122.604 122.820 -0.000 0.000 1.908 239 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 239 A C 2.334 179.908 177.584 -0.018 0.000 1.181 239 A CA 1.884 53.904 52.037 -0.027 0.000 0.627 239 A CB -0.849 18.127 19.000 -0.041 0.000 0.818 239 A HN 0.386 nan 8.150 nan 0.000 0.445 240 I N -0.605 119.974 120.570 0.015 0.000 2.315 240 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 240 I C 2.938 179.054 176.117 -0.001 0.000 1.117 240 I CA 0.908 62.211 61.300 0.006 0.000 1.404 240 I CB -0.287 37.722 38.000 0.016 0.000 1.071 240 I HN 0.380 nan 8.210 nan 0.000 0.419 241 A N 0.109 122.951 122.820 0.035 0.000 1.841 241 A HA -0.217 4.102 4.320 -0.000 0.000 0.214 241 A C 2.484 180.004 177.584 -0.108 0.000 1.195 241 A CA 1.674 53.704 52.037 -0.013 0.000 0.611 241 A CB -1.300 17.732 19.000 0.054 0.000 0.835 241 A HN 0.507 nan 8.150 nan 0.000 0.443 242 C N -0.731 118.515 119.300 -0.091 0.000 2.375 242 C HA -0.171 4.288 4.460 -0.000 0.000 0.274 242 C C 3.302 178.242 174.990 -0.082 0.000 1.190 242 C CA 1.254 60.217 59.018 -0.091 0.000 1.775 242 C CB -1.549 26.146 27.740 -0.074 0.000 2.067 242 C HN 0.697 nan 8.230 nan 0.000 0.463 243 A N -0.452 122.328 122.820 -0.066 0.000 1.898 243 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 243 A C 2.326 179.873 177.584 -0.063 0.000 1.181 243 A CA 2.052 54.058 52.037 -0.053 0.000 0.620 243 A CB -0.793 18.181 19.000 -0.042 0.000 0.819 243 A HN 0.371 nan 8.150 nan 0.000 0.442 244 V N -0.091 119.763 119.914 -0.099 0.000 2.255 244 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 244 V C 3.097 179.064 176.094 -0.213 0.000 1.051 244 V CA 2.108 64.325 62.300 -0.138 0.000 1.018 244 V CB -1.172 30.544 31.823 -0.177 0.000 0.641 244 V HN 0.630 nan 8.190 nan 0.000 0.445 245 A N -0.275 122.345 122.820 -0.334 0.000 1.917 245 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 245 A C 2.380 179.960 177.584 -0.007 0.000 1.182 245 A CA 2.464 54.354 52.037 -0.244 0.000 0.633 245 A CB -0.823 18.065 19.000 -0.187 0.000 0.819 245 A HN 0.632 nan 8.150 nan 0.000 0.448 246 A N -0.513 122.290 122.820 -0.029 0.000 1.930 246 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 246 A C 2.205 179.809 177.584 0.032 0.000 1.175 246 A CA 1.706 53.747 52.037 0.008 0.000 0.627 246 A CB -0.443 18.552 19.000 -0.010 0.000 0.815 246 A HN 0.571 nan 8.150 nan 0.000 0.443 247 R N -0.294 120.224 120.500 0.030 0.000 2.096 247 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 247 R C 2.133 178.486 176.300 0.089 0.000 1.127 247 R CA 1.594 57.727 56.100 0.054 0.000 0.968 247 R CB -0.359 29.976 30.300 0.059 0.000 0.861 247 R HN 0.423 nan 8.270 nan 0.000 0.440 248 A N -0.284 122.617 122.820 0.134 0.000 1.874 248 A HA -0.083 4.236 4.320 -0.000 0.000 0.214 248 A C 2.094 179.776 177.584 0.163 0.000 1.189 248 A CA 1.562 53.722 52.037 0.205 0.000 0.615 248 A CB -0.728 18.531 19.000 0.431 0.000 0.830 248 A HN 0.560 nan 8.150 nan 0.000 0.443 249 T N -3.868 110.787 114.554 0.168 0.000 3.129 249 T HA 0.378 4.728 4.350 -0.000 0.000 0.251 249 T C 1.354 176.096 174.700 0.071 0.000 1.117 249 T CA 1.065 63.233 62.100 0.114 0.000 1.034 249 T CB -0.141 68.799 68.868 0.119 0.000 0.968 249 T HN 1.690 nan 8.240 nan 0.000 0.526 250 G N 1.855 110.693 108.800 0.063 0.000 2.166 250 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 250 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 250 G C 0.045 174.964 174.900 0.031 0.000 0.986 250 G CA 0.351 45.476 45.100 0.042 0.000 0.683 250 G HN 0.791 nan 8.290 nan 0.000 0.527 251 R N -0.761 119.757 120.500 0.031 0.000 2.836 251 R HA 0.558 4.898 4.340 -0.000 0.000 0.269 251 R C -3.082 173.218 176.300 0.001 0.000 1.010 251 R CA -2.436 53.673 56.100 0.016 0.000 0.930 251 R CB 1.190 31.500 30.300 0.016 0.000 1.218 251 R HN -0.028 nan 8.270 nan 0.000 0.473 252 P HA -0.006 nan 4.420 nan 0.000 0.265 252 P C -0.773 176.493 177.300 -0.057 0.000 1.187 252 P CA -0.068 63.014 63.100 -0.031 0.000 0.766 252 P CB 0.428 32.105 31.700 -0.038 0.000 0.820 253 C N 3.649 122.909 119.300 -0.067 0.000 2.535 253 C HA 0.517 4.977 4.460 -0.000 0.000 0.319 253 C C -0.014 174.909 174.990 -0.112 0.000 1.171 253 C CA -0.482 58.477 59.018 -0.099 0.000 1.394 253 C CB 1.626 29.326 27.740 -0.067 0.000 1.990 253 C HN 0.521 nan 8.230 nan 0.000 0.466 254 K N 2.798 123.100 120.400 -0.164 0.000 2.259 254 K HA 0.819 5.139 4.320 -0.000 0.000 0.249 254 K C -1.363 175.193 176.600 -0.074 0.000 0.942 254 K CA -0.482 55.730 56.287 -0.124 0.000 0.816 254 K CB 1.837 34.238 32.500 -0.165 0.000 1.155 254 K HN 0.856 nan 8.250 nan 0.000 0.428 255 M N 3.824 123.388 119.600 -0.060 0.000 2.324 255 M HA 0.376 4.856 4.480 -0.000 0.000 0.288 255 M C -1.891 174.360 176.300 -0.083 0.000 1.097 255 M CA -0.640 54.627 55.300 -0.054 0.000 0.928 255 M CB 1.877 34.386 32.600 -0.151 0.000 1.648 255 M HN 0.751 nan 8.290 nan 0.000 0.460 256 R N 3.436 123.941 120.500 0.008 0.000 2.604 256 R HA 0.475 4.814 4.340 -0.000 0.000 0.281 256 R C -2.273 174.117 176.300 0.149 0.000 1.020 256 R CA -0.717 55.354 56.100 -0.049 0.000 0.899 256 R CB 1.093 31.358 30.300 -0.059 0.000 1.205 256 R HN 0.676 nan 8.270 nan 0.000 0.450 257 Y N 1.933 122.283 120.300 0.083 0.000 2.359 257 Y HA 0.069 4.619 4.550 -0.000 0.000 0.334 257 Y C 0.816 176.789 175.900 0.122 0.000 1.058 257 Y CA -0.786 57.383 58.100 0.116 0.000 1.244 257 Y CB 0.957 39.480 38.460 0.105 0.000 1.187 257 Y HN 0.606 nan 8.280 nan 0.000 0.510 258 D N 3.084 123.691 120.400 0.346 0.000 2.443 258 D HA -0.066 4.574 4.640 -0.000 0.000 0.239 258 D C 1.213 177.619 176.300 0.176 0.000 1.136 258 D CA 0.040 54.181 54.000 0.235 0.000 0.879 258 D CB 0.903 41.838 40.800 0.225 0.000 1.195 258 D HN 0.639 nan 8.370 nan 0.000 0.443 259 R N 2.887 123.459 120.500 0.120 0.000 2.113 259 R HA -0.224 4.116 4.340 -0.000 0.000 0.244 259 R C 1.379 177.739 176.300 0.100 0.000 1.142 259 R CA 2.536 58.690 56.100 0.090 0.000 0.953 259 R CB -0.283 30.046 30.300 0.050 0.000 0.860 259 R HN 0.553 nan 8.270 nan 0.000 0.438 260 D N -0.273 120.194 120.400 0.112 0.000 2.116 260 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 260 D C 1.430 177.800 176.300 0.117 0.000 0.998 260 D CA 1.873 55.973 54.000 0.166 0.000 0.836 260 D CB -0.183 40.747 40.800 0.216 0.000 0.951 260 D HN 0.345 nan 8.370 nan 0.000 0.449 261 D N -0.026 120.411 120.400 0.061 0.000 2.117 261 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 261 D C 1.659 177.892 176.300 -0.111 0.000 0.982 261 D CA 0.719 54.688 54.000 -0.051 0.000 0.828 261 D CB -0.400 40.339 40.800 -0.102 0.000 0.967 261 D HN 0.174 nan 8.370 nan 0.000 0.464 262 D N 0.181 120.584 120.400 0.006 0.000 2.116 262 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 262 D C 1.929 178.268 176.300 0.066 0.000 0.998 262 D CA 0.932 54.995 54.000 0.104 0.000 0.836 262 D CB -0.002 40.958 40.800 0.267 0.000 0.951 262 D HN 0.189 nan 8.370 nan 0.000 0.449 263 M N -0.121 119.514 119.600 0.058 0.000 2.476 263 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 263 M C 2.199 178.519 176.300 0.033 0.000 1.079 263 M CA 0.369 55.690 55.300 0.035 0.000 1.104 263 M CB 0.324 32.944 32.600 0.034 0.000 1.409 263 M HN -0.052 nan 8.290 nan 0.000 0.467 264 V N 0.105 120.038 119.914 0.031 0.000 2.599 264 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 264 V C 1.974 178.132 176.094 0.106 0.000 1.046 264 V CA 1.162 63.488 62.300 0.043 0.000 1.065 264 V CB 0.015 31.833 31.823 -0.009 0.000 0.703 264 V HN 0.372 nan 8.190 nan 0.000 0.464 265 I N 0.185 120.775 120.570 0.034 0.000 2.716 265 I HA -0.018 4.152 4.170 -0.000 0.000 0.259 265 I C 1.254 177.431 176.117 0.100 0.000 1.172 265 I CA 0.793 62.146 61.300 0.087 0.000 1.478 265 I CB -0.162 37.745 38.000 -0.154 0.000 1.104 265 I HN 0.432 nan 8.210 nan 0.000 0.439 266 T N -1.481 113.123 114.554 0.083 0.000 2.948 266 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 266 T C 0.417 175.178 174.700 0.102 0.000 1.019 266 T CA -0.606 61.563 62.100 0.114 0.000 1.013 266 T CB 1.629 70.625 68.868 0.213 0.000 1.117 266 T HN 0.123 nan 8.240 nan 0.000 0.533 267 G N 0.273 109.146 108.800 0.121 0.000 2.684 267 G HA2 0.540 4.500 3.960 -0.000 0.000 0.255 267 G HA3 0.540 4.500 3.960 -0.000 0.000 0.255 267 G C -0.725 174.271 174.900 0.159 0.000 1.219 267 G CA -0.656 44.508 45.100 0.107 0.000 0.901 267 G HN 0.839 nan 8.290 nan 0.000 0.548 268 K N -1.197 119.250 120.400 0.079 0.000 2.469 268 K HA 0.389 4.709 4.320 -0.000 0.000 0.268 268 K C -0.224 176.394 176.600 0.031 0.000 1.027 268 K CA -0.973 55.331 56.287 0.028 0.000 0.893 268 K CB 2.014 34.535 32.500 0.034 0.000 1.460 268 K HN 0.469 nan 8.250 nan 0.000 0.449 269 R N 1.320 121.858 120.500 0.063 0.000 2.570 269 R HA 0.038 4.378 4.340 -0.000 0.000 0.277 269 R C -0.714 175.635 176.300 0.080 0.000 1.039 269 R CA -0.064 56.076 56.100 0.066 0.000 1.065 269 R CB 0.135 30.314 30.300 -0.202 0.000 0.964 269 R HN 0.531 nan 8.270 nan 0.000 0.428 270 H N 2.475 121.608 119.070 0.105 0.000 3.070 270 H HA -0.067 4.489 4.556 -0.000 0.000 0.313 270 H C -0.207 175.255 175.328 0.223 0.000 0.997 270 H CA 0.873 56.994 56.048 0.122 0.000 1.438 270 H CB 0.216 30.053 29.762 0.125 0.000 1.455 270 H HN 0.520 nan 8.280 nan 0.000 0.575 271 D N 3.335 123.866 120.400 0.219 0.000 2.345 271 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 271 D C -0.331 176.075 176.300 0.175 0.000 1.108 271 D CA -0.146 54.002 54.000 0.248 0.000 0.894 271 D CB 0.897 41.803 40.800 0.176 0.000 1.203 271 D HN 0.271 nan 8.370 nan 0.000 0.430 272 F N -0.093 119.861 119.950 0.007 0.000 2.579 272 F HA 0.438 4.965 4.527 0.000 0.000 0.324 272 F C 0.704 176.438 175.800 -0.109 0.000 1.058 272 F CA -1.228 56.742 58.000 -0.050 0.000 0.944 272 F CB 2.446 41.375 39.000 -0.118 0.000 1.245 272 F HN 0.184 nan 8.300 nan 0.000 0.477 273 R N 2.820 123.377 120.500 0.095 0.000 2.561 273 R HA 0.697 5.037 4.340 -0.000 0.000 0.297 273 R C -1.916 174.462 176.300 0.129 0.000 0.969 273 R CA -0.423 55.698 56.100 0.035 0.000 0.879 273 R CB 1.306 31.625 30.300 0.031 0.000 1.178 273 R HN 0.733 nan 8.270 nan 0.000 0.445 274 I N 3.973 124.609 120.570 0.109 0.000 2.466 274 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 274 I C -0.392 176.001 176.117 0.460 0.000 1.026 274 I CA -0.851 60.648 61.300 0.332 0.000 1.078 274 I CB 2.151 40.333 38.000 0.304 0.000 1.249 274 I HN 0.512 nan 8.210 nan 0.000 0.429 275 R N 5.857 126.620 120.500 0.439 0.000 2.445 275 R HA 0.602 4.942 4.340 -0.000 0.000 0.308 275 R C -1.667 174.855 176.300 0.370 0.000 0.961 275 R CA -0.537 55.735 56.100 0.287 0.000 0.862 275 R CB 1.694 32.094 30.300 0.167 0.000 1.144 275 R HN 0.556 nan 8.270 nan 0.000 0.447 276 Y N -0.413 120.001 120.300 0.189 0.000 2.581 276 Y HA 0.655 5.205 4.550 0.000 0.000 0.345 276 Y C -1.081 174.758 175.900 -0.101 0.000 1.036 276 Y CA -1.392 56.706 58.100 -0.003 0.000 1.042 276 Y CB 1.556 40.028 38.460 0.020 0.000 1.289 276 Y HN 0.325 nan 8.280 nan 0.000 0.471 277 R N 2.635 123.103 120.500 -0.054 0.000 2.538 277 R HA 0.692 5.032 4.340 -0.000 0.000 0.292 277 R C -1.835 174.391 176.300 -0.124 0.000 1.008 277 R CA -0.706 55.349 56.100 -0.075 0.000 0.896 277 R CB 2.641 32.877 30.300 -0.106 0.000 1.187 277 R HN 0.931 nan 8.270 nan 0.000 0.440 278 I N 0.771 121.298 120.570 -0.072 0.000 2.828 278 I HA 0.790 4.960 4.170 -0.000 0.000 0.302 278 I C -0.954 175.099 176.117 -0.106 0.000 1.101 278 I CA -0.525 60.697 61.300 -0.131 0.000 1.031 278 I CB 2.388 40.302 38.000 -0.143 0.000 1.231 278 I HN 0.716 nan 8.210 nan 0.000 0.427 279 G N 4.546 113.287 108.800 -0.098 0.000 2.696 279 G HA2 0.815 4.775 3.960 -0.000 0.000 0.295 279 G HA3 0.815 4.775 3.960 -0.000 0.000 0.295 279 G C -1.989 172.881 174.900 -0.050 0.000 1.398 279 G CA -0.337 44.722 45.100 -0.067 0.000 0.920 279 G HN 0.889 nan 8.290 nan 0.000 0.492 280 A N 0.800 123.614 122.820 -0.009 0.000 2.479 280 A HA 0.799 5.119 4.320 -0.000 0.000 0.296 280 A C -0.314 177.306 177.584 0.061 0.000 1.121 280 A CA -0.511 51.531 52.037 0.008 0.000 0.743 280 A CB 1.531 20.519 19.000 -0.020 0.000 1.323 280 A HN 0.772 nan 8.150 nan 0.000 0.415 281 D N -0.133 120.294 120.400 0.045 0.000 2.278 281 D HA 0.343 4.983 4.640 -0.000 0.000 0.240 281 D C 1.404 177.770 176.300 0.109 0.000 1.347 281 D CA 1.075 55.104 54.000 0.049 0.000 0.945 281 D CB 0.516 41.336 40.800 0.033 0.000 1.175 281 D HN 0.584 nan 8.370 nan 0.000 0.519 282 A N -0.356 122.510 122.820 0.077 0.000 2.021 282 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 282 A C 1.966 179.606 177.584 0.094 0.000 1.163 282 A CA 1.417 53.523 52.037 0.114 0.000 0.676 282 A CB -0.529 18.501 19.000 0.050 0.000 0.818 282 A HN 0.476 nan 8.150 nan 0.000 0.453 283 S N -2.429 113.299 115.700 0.047 0.000 2.501 283 S HA 0.392 4.862 4.470 -0.000 0.000 0.220 283 S C 1.411 176.008 174.600 -0.004 0.000 0.997 283 S CA 1.081 59.292 58.200 0.019 0.000 0.919 283 S CB 0.168 63.376 63.200 0.014 0.000 0.778 283 S HN 1.700 nan 8.310 nan 0.000 0.523 284 G N 0.685 109.482 108.800 -0.004 0.000 2.255 284 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.196 284 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.196 284 G C -0.100 174.777 174.900 -0.039 0.000 0.998 284 G CA -0.477 44.597 45.100 -0.045 0.000 0.656 284 G HN 0.338 nan 8.290 nan 0.000 0.490 285 K N 1.209 121.604 120.400 -0.008 0.000 2.350 285 K HA 0.414 4.734 4.320 -0.000 0.000 0.279 285 K C 1.093 177.691 176.600 -0.004 0.000 1.027 285 K CA -0.277 56.013 56.287 0.006 0.000 0.969 285 K CB 0.932 33.456 32.500 0.040 0.000 0.954 285 K HN 0.380 nan 8.250 nan 0.000 0.474 286 L N 3.434 124.645 121.223 -0.021 0.000 2.483 286 L HA -0.023 4.316 4.340 -0.000 0.000 0.276 286 L C 1.620 178.472 176.870 -0.031 0.000 1.213 286 L CA 0.114 54.923 54.840 -0.051 0.000 0.843 286 L CB 0.144 42.152 42.059 -0.086 0.000 1.107 286 L HN 0.517 nan 8.230 nan 0.000 0.487 287 L N 1.221 122.417 121.223 -0.044 0.000 2.685 287 L HA 0.415 4.755 4.340 -0.000 0.000 0.235 287 L C 0.681 177.515 176.870 -0.061 0.000 1.070 287 L CA 0.168 54.987 54.840 -0.035 0.000 0.888 287 L CB 0.661 42.706 42.059 -0.024 0.000 1.203 287 L HN 0.776 nan 8.230 nan 0.000 0.499 288 G N -0.358 108.395 108.800 -0.079 0.000 2.519 288 G HA2 0.631 4.591 3.960 -0.000 0.000 0.292 288 G HA3 0.631 4.591 3.960 -0.000 0.000 0.292 288 G C -2.136 172.694 174.900 -0.117 0.000 1.507 288 G CA 0.131 45.178 45.100 -0.088 0.000 0.806 288 G HN 0.017 nan 8.290 nan 0.000 0.523 289 A N 0.487 123.229 122.820 -0.131 0.000 2.459 289 A HA 0.730 5.050 4.320 -0.000 0.000 0.296 289 A C -1.840 175.566 177.584 -0.297 0.000 1.039 289 A CA -0.502 51.372 52.037 -0.271 0.000 0.698 289 A CB 2.272 21.106 19.000 -0.276 0.000 1.261 289 A HN 0.735 nan 8.150 nan 0.000 0.405 290 D N 1.497 121.663 120.400 -0.390 0.000 2.408 290 D HA 0.693 5.332 4.640 -0.000 0.000 0.243 290 D C -1.289 174.815 176.300 -0.328 0.000 1.075 290 D CA 0.034 53.899 54.000 -0.224 0.000 0.832 290 D CB 0.533 41.268 40.800 -0.110 0.000 1.162 290 D HN 0.228 nan 8.370 nan 0.000 0.515 291 F N 1.900 121.877 119.950 0.046 0.000 2.561 291 F HA 0.615 5.142 4.527 -0.000 0.000 0.321 291 F C -0.076 175.738 175.800 0.024 0.000 1.065 291 F CA -0.989 57.061 58.000 0.083 0.000 0.934 291 F CB 2.169 41.194 39.000 0.042 0.000 1.215 291 F HN -0.010 nan 8.300 nan 0.000 0.471 292 V N 1.551 121.670 119.914 0.342 0.000 2.577 292 V HA 0.323 4.443 4.120 -0.000 0.000 0.303 292 V C -0.934 175.396 176.094 0.393 0.000 1.042 292 V CA -0.767 61.681 62.300 0.248 0.000 0.872 292 V CB 1.761 33.715 31.823 0.218 0.000 0.998 292 V HN 0.741 nan 8.190 nan 0.000 0.423 293 H N 5.141 124.368 119.070 0.262 0.000 2.476 293 H HA 0.637 5.193 4.556 -0.000 0.000 0.328 293 H C -0.867 174.581 175.328 0.200 0.000 1.073 293 H CA -0.805 55.413 56.048 0.283 0.000 1.229 293 H CB 1.735 31.691 29.762 0.323 0.000 1.432 293 H HN 0.413 nan 8.280 nan 0.000 0.477 294 L N 2.891 124.246 121.223 0.221 0.000 2.305 294 L HA 0.631 4.971 4.340 -0.000 0.000 0.284 294 L C -0.255 176.457 176.870 -0.262 0.000 1.013 294 L CA -0.761 54.096 54.840 0.028 0.000 0.819 294 L CB 1.521 43.579 42.059 -0.003 0.000 1.227 294 L HN 0.592 nan 8.230 nan 0.000 0.417 295 A N 3.614 126.213 122.820 -0.369 0.000 2.371 295 A HA 0.592 4.912 4.320 -0.000 0.000 0.311 295 A C -0.684 176.747 177.584 -0.254 0.000 1.068 295 A CA -0.705 50.925 52.037 -0.677 0.000 0.744 295 A CB 1.545 19.869 19.000 -1.127 0.000 1.239 295 A HN 0.722 nan 8.150 nan 0.000 0.435 296 R N 2.188 122.580 120.500 -0.180 0.000 2.242 296 R HA 0.287 4.627 4.340 -0.000 0.000 0.334 296 R C -0.246 176.054 176.300 -0.001 0.000 1.071 296 R CA -0.102 55.948 56.100 -0.083 0.000 0.922 296 R CB 0.413 30.649 30.300 -0.107 0.000 1.023 296 R HN 0.852 nan 8.270 nan 0.000 0.458 297 C N 2.606 121.948 119.300 0.069 0.000 2.791 297 C HA 0.351 4.811 4.460 -0.000 0.000 0.288 297 C C 1.080 176.091 174.990 0.034 0.000 1.271 297 C CA 0.451 59.546 59.018 0.129 0.000 1.726 297 C CB -0.598 27.313 27.740 0.286 0.000 2.145 297 C HN 1.074 nan 8.230 nan 0.000 0.572 298 G N 0.666 109.499 108.800 0.056 0.000 2.631 298 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.504 298 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.504 298 G C 0.215 175.251 174.900 0.227 0.000 1.306 298 G CA 0.006 45.154 45.100 0.080 0.000 0.897 298 G HN 0.523 nan 8.290 nan 0.000 0.520 299 W N 0.181 121.497 121.300 0.026 0.000 2.678 299 W HA 0.415 5.075 4.660 0.000 0.000 0.256 299 W C 0.797 177.444 176.519 0.213 0.000 1.280 299 W CA 1.213 58.626 57.345 0.114 0.000 1.345 299 W CB -1.230 28.323 29.460 0.156 0.000 1.118 299 W HN 1.445 nan 8.180 nan 0.000 0.629 300 S N -0.732 114.614 115.700 -0.591 0.000 2.632 300 S HA 0.684 5.154 4.470 -0.000 0.000 0.289 300 S C 0.827 175.012 174.600 -0.693 0.000 1.115 300 S CA -0.064 57.762 58.200 -0.624 0.000 0.889 300 S CB 1.897 64.382 63.200 -1.192 0.000 1.116 300 S HN 0.124 nan 8.310 nan 0.000 0.486 301 A N 1.616 123.880 122.820 -0.925 0.000 1.877 301 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 301 A C 1.369 178.656 177.584 -0.495 0.000 1.186 301 A CA 1.904 53.303 52.037 -1.063 0.000 0.620 301 A CB -1.547 16.950 19.000 -0.838 0.000 0.822 301 A HN 1.207 nan 8.150 nan 0.000 0.443 302 D N -1.699 118.493 120.400 -0.346 0.000 3.927 302 D HA -0.248 4.391 4.640 -0.000 0.000 0.142 302 D C 0.419 176.668 176.300 -0.085 0.000 0.830 302 D CA 2.160 56.056 54.000 -0.173 0.000 1.091 302 D CB -1.212 39.505 40.800 -0.137 0.000 0.495 302 D HN 0.298 nan 8.370 nan 0.000 0.489 303 L N 0.920 122.142 121.223 -0.001 0.000 2.857 303 L HA 0.173 4.513 4.340 -0.000 0.000 0.249 303 L C 2.164 179.011 176.870 -0.038 0.000 1.172 303 L CA -0.032 54.841 54.840 0.054 0.000 0.980 303 L CB 0.419 42.600 42.059 0.203 0.000 1.299 303 L HN 0.115 nan 8.230 nan 0.000 0.535 304 S N 0.686 116.348 115.700 -0.063 0.000 2.387 304 S HA -0.247 4.223 4.470 -0.000 0.000 0.230 304 S C 1.843 176.329 174.600 -0.190 0.000 1.035 304 S CA 1.611 59.721 58.200 -0.150 0.000 1.014 304 S CB -0.160 63.004 63.200 -0.059 0.000 0.836 304 S HN 0.460 nan 8.310 nan 0.000 0.466 305 L N 2.177 123.335 121.223 -0.109 0.000 1.961 305 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 305 L C -0.974 175.896 176.870 -0.000 0.000 1.072 305 L CA 1.510 56.324 54.840 -0.044 0.000 0.749 305 L CB -1.115 40.939 42.059 -0.008 0.000 0.889 305 L HN 0.191 nan 8.230 nan 0.000 0.432 306 P HA -0.111 nan 4.420 nan 0.000 0.217 306 P C 1.982 179.215 177.300 -0.110 0.000 1.150 306 P CA 1.241 64.444 63.100 0.170 0.000 0.832 306 P CB -0.070 31.895 31.700 0.442 0.000 0.787 307 V N 0.147 119.757 119.914 -0.507 0.000 2.287 307 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 307 V C 2.719 178.618 176.094 -0.323 0.000 1.053 307 V CA 2.198 64.037 62.300 -0.767 0.000 1.027 307 V CB -1.562 29.773 31.823 -0.814 0.000 0.646 307 V HN 0.175 nan 8.190 nan 0.000 0.447 308 C N -0.149 119.023 119.300 -0.213 0.000 2.440 308 C HA -0.116 4.344 4.460 -0.000 0.000 0.278 308 C C 2.486 177.484 174.990 0.013 0.000 1.295 308 C CA 0.567 59.560 59.018 -0.042 0.000 1.738 308 C CB -1.097 26.612 27.740 -0.052 0.000 1.987 308 C HN 0.594 nan 8.230 nan 0.000 0.492 309 D N 0.442 120.866 120.400 0.040 0.000 2.123 309 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 309 D C 2.302 178.725 176.300 0.205 0.000 0.992 309 D CA 1.071 55.170 54.000 0.164 0.000 0.833 309 D CB -0.478 40.527 40.800 0.341 0.000 0.954 309 D HN 0.481 nan 8.370 nan 0.000 0.455 310 R N 0.427 121.023 120.500 0.160 0.000 2.092 310 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 310 R C 2.104 178.520 176.300 0.195 0.000 1.119 310 R CA 1.262 57.484 56.100 0.204 0.000 0.970 310 R CB -0.103 30.316 30.300 0.199 0.000 0.864 310 R HN 0.107 nan 8.270 nan 0.000 0.440 311 A N 0.934 123.794 122.820 0.066 0.000 1.908 311 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 311 A C 2.201 179.917 177.584 0.220 0.000 1.181 311 A CA 1.700 53.761 52.037 0.040 0.000 0.627 311 A CB -0.461 18.467 19.000 -0.120 0.000 0.818 311 A HN 0.338 nan 8.150 nan 0.000 0.445 312 M N -1.099 118.615 119.600 0.190 0.000 2.117 312 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 312 M C 1.751 178.305 176.300 0.424 0.000 1.065 312 M CA 1.011 56.403 55.300 0.153 0.000 1.114 312 M CB -0.442 31.968 32.600 -0.317 0.000 1.361 312 M HN 0.276 nan 8.290 nan 0.000 0.408 313 L N -0.659 120.795 121.223 0.385 0.000 2.353 313 L HA -0.177 4.163 4.340 -0.000 0.000 0.220 313 L C 1.358 178.335 176.870 0.180 0.000 1.133 313 L CA 1.942 56.915 54.840 0.222 0.000 0.798 313 L CB -1.294 40.740 42.059 -0.042 0.000 0.922 313 L HN 0.330 nan 8.230 nan 0.000 0.445 314 H N -2.447 116.756 119.070 0.222 0.000 2.674 314 H HA 0.374 4.930 4.556 -0.000 0.000 0.274 314 H C 1.829 177.245 175.328 0.147 0.000 1.121 314 H CA 0.424 56.573 56.048 0.168 0.000 1.132 314 H CB 0.244 30.014 29.762 0.014 0.000 1.606 314 H HN 0.132 nan 8.280 nan 0.000 0.558 315 A N 0.974 123.933 122.820 0.230 0.000 2.186 315 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 315 A C 1.703 179.268 177.584 -0.032 0.000 1.159 315 A CA 1.727 53.714 52.037 -0.085 0.000 0.680 315 A CB -0.224 18.645 19.000 -0.218 0.000 0.787 315 A HN 0.555 nan 8.150 nan 0.000 0.467 316 D N -1.369 119.161 120.400 0.218 0.000 2.349 316 D HA 0.241 4.881 4.640 -0.000 0.000 0.215 316 D C 1.238 177.713 176.300 0.292 0.000 1.016 316 D CA 0.964 55.124 54.000 0.267 0.000 0.870 316 D CB -0.829 40.225 40.800 0.424 0.000 0.917 316 D HN 0.607 nan 8.370 nan 0.000 0.524 317 G N 0.973 109.915 108.800 0.237 0.000 2.614 317 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.303 317 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.303 317 G C 0.715 175.643 174.900 0.047 0.000 1.270 317 G CA 0.898 46.113 45.100 0.191 0.000 0.988 317 G HN 0.351 nan 8.290 nan 0.000 0.551 318 S N 0.677 116.209 115.700 -0.280 0.000 2.671 318 S HA 0.391 4.861 4.470 -0.000 0.000 0.220 318 S C -0.203 174.148 174.600 -0.414 0.000 0.951 318 S CA 0.572 58.560 58.200 -0.354 0.000 0.932 318 S CB -0.122 62.779 63.200 -0.497 0.000 0.777 318 S HN 0.455 nan 8.310 nan 0.000 0.508 319 Y N 0.004 120.371 120.300 0.110 0.000 2.468 319 Y HA 0.543 5.093 4.550 -0.000 0.000 0.342 319 Y C -0.276 175.311 175.900 -0.523 0.000 1.021 319 Y CA -2.025 56.000 58.100 -0.126 0.000 1.079 319 Y CB 0.581 39.027 38.460 -0.024 0.000 1.226 319 Y HN 0.111 nan 8.280 nan 0.000 0.460 320 F N 2.925 122.468 119.950 -0.677 0.000 2.467 320 F HA 0.550 5.077 4.527 0.000 0.000 0.362 320 F C -0.858 174.852 175.800 -0.150 0.000 1.090 320 F CA -0.616 57.022 58.000 -0.604 0.000 1.202 320 F CB 0.387 39.135 39.000 -0.420 0.000 1.113 320 F HN 0.181 nan 8.300 nan 0.000 0.541 321 V N 9.024 128.347 119.914 -0.985 0.000 2.447 321 V HA 0.221 4.341 4.120 -0.000 0.000 0.292 321 V C -1.873 173.776 176.094 -0.742 0.000 1.021 321 V CA -1.182 60.738 62.300 -0.634 0.000 0.850 321 V CB 1.493 33.179 31.823 -0.229 0.000 1.005 321 V HN 0.652 nan 8.190 nan 0.000 0.426 322 P HA -0.002 nan 4.420 nan 0.000 0.217 322 P C 0.326 177.535 177.300 -0.151 0.000 1.150 322 P CA 1.202 64.105 63.100 -0.330 0.000 0.832 322 P CB 0.407 32.069 31.700 -0.063 0.000 0.787 323 A N -0.697 122.053 122.820 -0.116 0.000 2.356 323 A HA 0.729 5.049 4.320 -0.000 0.000 0.310 323 A C -1.424 176.134 177.584 -0.043 0.000 1.075 323 A CA -0.550 51.460 52.037 -0.045 0.000 0.746 323 A CB 0.760 19.745 19.000 -0.024 0.000 1.221 323 A HN 0.115 nan 8.150 nan 0.000 0.443 324 L N 1.732 122.958 121.223 0.005 0.000 2.526 324 L HA 0.693 5.033 4.340 -0.000 0.000 0.263 324 L C -0.750 176.162 176.870 0.070 0.000 0.943 324 L CA -0.381 54.471 54.840 0.020 0.000 0.859 324 L CB 1.825 43.880 42.059 -0.007 0.000 1.313 324 L HN 0.875 nan 8.230 nan 0.000 0.406 325 R N 4.605 125.151 120.500 0.077 0.000 2.670 325 R HA 0.801 5.141 4.340 -0.000 0.000 0.289 325 R C -1.659 174.717 176.300 0.127 0.000 0.965 325 R CA -0.602 55.562 56.100 0.108 0.000 0.899 325 R CB 1.702 32.044 30.300 0.069 0.000 1.173 325 R HN 0.659 nan 8.270 nan 0.000 0.456 326 I N 2.056 122.688 120.570 0.103 0.000 2.533 326 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 326 I C -0.737 175.326 176.117 -0.089 0.000 1.056 326 I CA -0.677 60.614 61.300 -0.015 0.000 1.057 326 I CB 2.213 40.147 38.000 -0.109 0.000 1.240 326 I HN 0.573 nan 8.210 nan 0.000 0.423 327 E N 4.522 124.663 120.200 -0.099 0.000 2.155 327 E HA 0.411 4.761 4.350 -0.000 0.000 0.264 327 E C -1.239 175.263 176.600 -0.162 0.000 0.886 327 E CA -0.346 55.979 56.400 -0.125 0.000 0.752 327 E CB 1.680 31.366 29.700 -0.022 0.000 1.133 327 E HN 0.564 nan 8.360 nan 0.000 0.414 328 S N 4.793 120.336 115.700 -0.262 0.000 2.530 328 S HA 0.300 4.770 4.470 -0.000 0.000 0.322 328 S C -1.061 173.410 174.600 -0.215 0.000 1.085 328 S CA -0.706 57.407 58.200 -0.145 0.000 1.096 328 S CB 0.520 63.629 63.200 -0.150 0.000 0.988 328 S HN 0.552 nan 8.310 nan 0.000 0.466 329 H N 5.073 124.147 119.070 0.008 0.000 2.519 329 H HA 0.380 4.936 4.556 -0.000 0.000 0.316 329 H C -0.143 175.164 175.328 -0.035 0.000 1.065 329 H CA -0.819 55.220 56.048 -0.015 0.000 1.264 329 H CB 0.874 30.627 29.762 -0.014 0.000 1.413 329 H HN 0.508 nan 8.280 nan 0.000 0.465 330 R N 4.239 124.785 120.500 0.077 0.000 2.215 330 R HA 0.309 4.649 4.340 -0.000 0.000 0.337 330 R C -0.417 175.947 176.300 0.107 0.000 1.010 330 R CA -0.687 55.461 56.100 0.081 0.000 0.871 330 R CB 0.359 30.726 30.300 0.113 0.000 1.134 330 R HN 0.452 nan 8.270 nan 0.000 0.477 331 L N 3.022 124.276 121.223 0.052 0.000 2.276 331 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 331 L C 0.867 177.727 176.870 -0.017 0.000 1.061 331 L CA -0.647 54.186 54.840 -0.013 0.000 0.807 331 L CB 0.994 43.028 42.059 -0.043 0.000 1.177 331 L HN 0.364 nan 8.230 nan 0.000 0.429 332 R N 2.486 122.867 120.500 -0.198 0.000 2.298 332 R HA 0.441 4.780 4.340 -0.000 0.000 0.310 332 R C -0.377 175.867 176.300 -0.093 0.000 1.068 332 R CA -0.082 55.885 56.100 -0.221 0.000 0.957 332 R CB 0.805 30.689 30.300 -0.695 0.000 1.003 332 R HN 0.817 nan 8.270 nan 0.000 0.454 333 T N 0.316 114.868 114.554 -0.004 0.000 2.838 333 T HA 0.295 4.645 4.350 -0.000 0.000 0.292 333 T C -0.233 174.503 174.700 0.060 0.000 1.113 333 T CA -1.099 60.990 62.100 -0.018 0.000 1.008 333 T CB 1.313 70.126 68.868 -0.091 0.000 1.259 333 T HN 0.591 nan 8.240 nan 0.000 0.520 334 N N 1.413 120.134 118.700 0.035 0.000 3.250 334 N HA 0.373 5.113 4.740 -0.000 0.000 0.307 334 N C -0.225 175.330 175.510 0.076 0.000 1.355 334 N CA -0.357 52.764 53.050 0.118 0.000 1.192 334 N CB 0.233 38.772 38.487 0.085 0.000 1.478 334 N HN 0.814 nan 8.380 nan 0.000 0.543 335 T N -3.443 111.126 114.554 0.026 0.000 2.804 335 T HA 0.373 4.723 4.350 -0.000 0.000 0.290 335 T C -0.147 174.445 174.700 -0.179 0.000 1.099 335 T CA -1.050 61.007 62.100 -0.070 0.000 1.011 335 T CB 0.860 69.532 68.868 -0.326 0.000 1.291 335 T HN -0.110 nan 8.240 nan 0.000 0.523 336 Q N 1.405 121.031 119.800 -0.290 0.000 2.348 336 Q HA 0.230 4.570 4.340 -0.000 0.000 0.331 336 Q C 0.244 176.150 176.000 -0.157 0.000 1.099 336 Q CA 0.398 55.941 55.803 -0.434 0.000 1.021 336 Q CB 0.191 28.878 28.738 -0.085 0.000 1.166 336 Q HN 0.697 nan 8.270 nan 0.000 0.393 337 S N 3.485 119.125 115.700 -0.099 0.000 2.414 337 S HA 0.136 4.606 4.470 -0.000 0.000 0.290 337 S C -0.073 174.455 174.600 -0.119 0.000 1.160 337 S CA -0.796 57.340 58.200 -0.106 0.000 1.069 337 S CB -0.082 62.986 63.200 -0.220 0.000 1.012 337 S HN 0.485 nan 8.310 nan 0.000 0.510 338 N N 2.902 121.481 118.700 -0.203 0.000 2.340 338 N HA 0.307 5.047 4.740 -0.000 0.000 0.236 338 N C 0.387 175.792 175.510 -0.174 0.000 1.296 338 N CA 0.202 53.043 53.050 -0.349 0.000 0.896 338 N CB 1.033 39.014 38.487 -0.842 0.000 1.127 338 N HN 0.732 nan 8.380 nan 0.000 0.442 339 T N -1.876 112.665 114.554 -0.021 0.000 2.649 339 T HA 0.572 4.922 4.350 -0.000 0.000 0.305 339 T C -1.450 173.441 174.700 0.317 0.000 1.409 339 T CA -0.371 61.852 62.100 0.206 0.000 1.021 339 T CB -0.130 68.846 68.868 0.180 0.000 1.726 339 T HN 0.506 nan 8.240 nan 0.000 0.475 340 A N 0.943 123.974 122.820 0.353 0.000 2.483 340 A HA 0.624 4.944 4.320 -0.000 0.000 0.238 340 A C -0.639 177.267 177.584 0.537 0.000 1.070 340 A CA 0.053 52.371 52.037 0.469 0.000 0.770 340 A CB -0.539 18.771 19.000 0.517 0.000 1.008 340 A HN 0.808 nan 8.150 nan 0.000 0.497 341 F N 0.985 121.105 119.950 0.284 0.000 2.623 341 F HA 0.418 4.945 4.527 -0.000 0.000 0.323 341 F C 0.374 176.137 175.800 -0.062 0.000 1.158 341 F CA -1.062 57.032 58.000 0.156 0.000 1.030 341 F CB 1.214 40.157 39.000 -0.095 0.000 1.280 341 F HN 0.794 nan 8.300 nan 0.000 0.474 342 R N 3.896 124.636 120.500 0.399 0.000 4.326 342 R HA -0.006 4.333 4.340 -0.000 0.000 0.141 342 R C 0.926 177.054 176.300 -0.287 0.000 0.356 342 R CA 2.085 58.192 56.100 0.012 0.000 0.851 342 R CB -0.705 29.527 30.300 -0.113 0.000 1.039 342 R HN 1.164 nan 8.270 nan 0.000 0.246 343 G N 3.464 112.240 108.800 -0.039 0.000 2.391 343 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.204 343 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.204 343 G C 0.194 175.236 174.900 0.237 0.000 1.012 343 G CA -0.156 44.982 45.100 0.065 0.000 0.651 343 G HN 0.772 nan 8.290 nan 0.000 0.494 344 F N 0.907 120.847 119.950 -0.016 0.000 2.866 344 F HA 0.059 4.586 4.527 -0.000 0.000 0.254 344 F C 1.814 177.596 175.800 -0.030 0.000 1.009 344 F CA 2.620 60.635 58.000 0.024 0.000 0.907 344 F CB -1.013 38.022 39.000 0.059 0.000 0.859 344 F HN 2.019 nan 8.300 nan 0.000 0.842 345 G N -0.208 108.511 108.800 -0.135 0.000 2.284 345 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.247 345 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.247 345 G C 1.550 176.316 174.900 -0.223 0.000 1.012 345 G CA 0.761 45.737 45.100 -0.205 0.000 0.618 345 G HN 1.557 nan 8.290 nan 0.000 0.521 346 G N 1.729 110.393 108.800 -0.228 0.000 2.446 346 G HA2 0.055 4.015 3.960 -0.000 0.000 0.217 346 G HA3 0.055 4.015 3.960 -0.000 0.000 0.217 346 G C 0.135 174.935 174.900 -0.166 0.000 1.168 346 G CA 2.034 46.875 45.100 -0.432 0.000 0.771 346 G HN 0.558 nan 8.290 nan 0.000 0.551 347 P HA -0.080 nan 4.420 nan 0.000 0.215 347 P C 1.774 179.113 177.300 0.064 0.000 1.153 347 P CA 1.307 64.479 63.100 0.120 0.000 0.853 347 P CB 0.000 31.805 31.700 0.176 0.000 0.788 348 Q N -0.456 119.267 119.800 -0.129 0.000 1.975 348 Q HA -0.102 4.238 4.340 -0.000 0.000 0.205 348 Q C 2.509 178.270 176.000 -0.398 0.000 0.990 348 Q CA 2.223 57.800 55.803 -0.376 0.000 0.845 348 Q CB -1.806 26.253 28.738 -1.132 0.000 0.913 348 Q HN 0.227 nan 8.270 nan 0.000 0.420 349 G N 0.134 108.692 108.800 -0.404 0.000 2.469 349 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 349 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 349 G C 1.459 176.304 174.900 -0.091 0.000 1.136 349 G CA 1.093 46.055 45.100 -0.230 0.000 0.759 349 G HN 0.453 nan 8.290 nan 0.000 0.562 350 A N 0.220 123.034 122.820 -0.010 0.000 1.897 350 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 350 A C 2.311 179.941 177.584 0.075 0.000 1.181 350 A CA 1.491 53.574 52.037 0.076 0.000 0.620 350 A CB -0.433 18.645 19.000 0.130 0.000 0.821 350 A HN 0.390 nan 8.150 nan 0.000 0.443 351 L N 0.537 121.801 121.223 0.068 0.000 2.079 351 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 351 L C 2.359 179.329 176.870 0.167 0.000 1.081 351 L CA 2.055 56.957 54.840 0.102 0.000 0.752 351 L CB -1.249 40.846 42.059 0.059 0.000 0.896 351 L HN 0.339 nan 8.230 nan 0.000 0.433 352 G N -0.484 108.380 108.800 0.106 0.000 2.529 352 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.219 352 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.219 352 G C 1.583 176.565 174.900 0.137 0.000 1.177 352 G CA 1.365 46.567 45.100 0.170 0.000 0.773 352 G HN 0.461 nan 8.290 nan 0.000 0.573 353 M N 0.142 119.760 119.600 0.030 0.000 2.236 353 M HA 0.147 4.627 4.480 -0.000 0.000 0.266 353 M C 2.279 178.654 176.300 0.126 0.000 1.070 353 M CA 1.298 56.705 55.300 0.178 0.000 1.137 353 M CB -0.131 32.598 32.600 0.215 0.000 1.378 353 M HN 0.100 nan 8.290 nan 0.000 0.426 354 E N 0.318 120.603 120.200 0.142 0.000 2.085 354 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 354 E C 2.192 178.781 176.600 -0.017 0.000 0.994 354 E CA 0.945 57.411 56.400 0.109 0.000 0.801 354 E CB -0.546 29.243 29.700 0.149 0.000 0.743 354 E HN 0.455 nan 8.360 nan 0.000 0.453 355 R N 0.638 121.085 120.500 -0.088 0.000 2.082 355 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 355 R C 2.282 178.399 176.300 -0.305 0.000 1.136 355 R CA 1.442 57.383 56.100 -0.264 0.000 0.935 355 R CB -0.877 29.026 30.300 -0.661 0.000 0.842 355 R HN 0.186 nan 8.270 nan 0.000 0.430 356 A N 1.119 123.633 122.820 -0.511 0.000 1.903 356 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 356 A C 2.348 179.787 177.584 -0.242 0.000 1.191 356 A CA 1.931 53.585 52.037 -0.639 0.000 0.638 356 A CB -0.777 17.910 19.000 -0.522 0.000 0.823 356 A HN 0.452 nan 8.150 nan 0.000 0.451 357 I N -1.038 119.424 120.570 -0.180 0.000 2.493 357 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 357 I C 2.321 178.365 176.117 -0.123 0.000 1.160 357 I CA 1.918 63.107 61.300 -0.185 0.000 1.445 357 I CB -0.077 37.742 38.000 -0.303 0.000 1.086 357 I HN 0.519 nan 8.210 nan 0.000 0.433 358 E N 0.075 120.226 120.200 -0.082 0.000 2.072 358 E HA -0.319 4.030 4.350 -0.000 0.000 0.191 358 E C 2.192 178.810 176.600 0.030 0.000 0.985 358 E CA 1.471 57.855 56.400 -0.027 0.000 0.801 358 E CB -0.201 29.449 29.700 -0.083 0.000 0.750 358 E HN 0.522 nan 8.360 nan 0.000 0.452 359 H N 0.216 119.186 119.070 -0.167 0.000 2.270 359 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 359 H C 2.036 177.184 175.328 -0.301 0.000 1.077 359 H CA 1.781 57.571 56.048 -0.430 0.000 1.294 359 H CB -0.782 28.727 29.762 -0.421 0.000 1.371 359 H HN 0.300 nan 8.280 nan 0.000 0.491 360 L N 0.660 121.788 121.223 -0.159 0.000 2.089 360 L HA -0.170 4.169 4.340 -0.000 0.000 0.213 360 L C 2.488 179.263 176.870 -0.158 0.000 1.079 360 L CA 2.273 56.992 54.840 -0.202 0.000 0.758 360 L CB -1.142 40.811 42.059 -0.176 0.000 0.891 360 L HN 0.363 nan 8.230 nan 0.000 0.433 361 A N -0.986 121.770 122.820 -0.107 0.000 1.929 361 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 361 A C 2.258 179.818 177.584 -0.041 0.000 1.176 361 A CA 1.110 53.096 52.037 -0.084 0.000 0.628 361 A CB -0.438 18.532 19.000 -0.050 0.000 0.816 361 A HN 0.414 nan 8.150 nan 0.000 0.444 362 R N -0.340 120.174 120.500 0.024 0.000 2.115 362 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 362 R C 2.278 178.588 176.300 0.016 0.000 1.111 362 R CA 1.175 57.325 56.100 0.082 0.000 0.976 362 R CB -1.397 29.041 30.300 0.229 0.000 0.870 362 R HN 0.522 nan 8.270 nan 0.000 0.445 363 G N 1.674 110.441 108.800 -0.056 0.000 2.422 363 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 363 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 363 G C 1.379 176.230 174.900 -0.081 0.000 1.146 363 G CA 0.904 45.949 45.100 -0.091 0.000 0.769 363 G HN 0.422 nan 8.290 nan 0.000 0.547 364 M N -0.950 118.563 119.600 -0.145 0.000 2.404 364 M HA 0.510 4.990 4.480 -0.000 0.000 0.271 364 M C 1.335 177.562 176.300 -0.121 0.000 1.128 364 M CA 0.336 55.510 55.300 -0.211 0.000 0.982 364 M CB 0.567 32.828 32.600 -0.566 0.000 1.445 364 M HN 0.201 nan 8.290 nan 0.000 0.495 365 G N 2.065 110.827 108.800 -0.063 0.000 2.187 365 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.261 365 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.261 365 G C 0.059 174.934 174.900 -0.041 0.000 1.000 365 G CA 0.355 45.435 45.100 -0.032 0.000 0.718 365 G HN 0.605 nan 8.290 nan 0.000 0.519 366 R N 0.007 120.469 120.500 -0.064 0.000 2.536 366 R HA 0.396 4.736 4.340 -0.000 0.000 0.279 366 R C -0.353 175.931 176.300 -0.028 0.000 1.001 366 R CA -0.620 55.445 56.100 -0.057 0.000 1.027 366 R CB 0.580 30.825 30.300 -0.092 0.000 1.096 366 R HN 0.211 nan 8.270 nan 0.000 0.502 367 D N 2.967 123.357 120.400 -0.016 0.000 2.371 367 D HA 0.061 4.700 4.640 -0.000 0.000 0.256 367 D C -1.718 174.592 176.300 0.016 0.000 1.193 367 D CA -1.881 52.124 54.000 0.009 0.000 0.881 367 D CB 1.399 42.205 40.800 0.010 0.000 1.143 367 D HN 0.164 nan 8.370 nan 0.000 0.473 368 P HA -0.188 nan 4.420 nan 0.000 0.216 368 P C 1.021 178.345 177.300 0.039 0.000 1.153 368 P CA 2.084 65.204 63.100 0.034 0.000 0.858 368 P CB 0.059 31.808 31.700 0.081 0.000 0.789 369 A N -0.000 122.881 122.820 0.102 0.000 1.883 369 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 369 A C 2.189 179.801 177.584 0.047 0.000 1.186 369 A CA 1.781 53.898 52.037 0.133 0.000 0.624 369 A CB -1.159 18.015 19.000 0.290 0.000 0.822 369 A HN 0.092 nan 8.150 nan 0.000 0.444 370 E N -0.648 119.568 120.200 0.027 0.000 2.150 370 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 370 E C 1.914 178.466 176.600 -0.079 0.000 0.985 370 E CA 0.734 57.122 56.400 -0.019 0.000 0.814 370 E CB -0.505 29.191 29.700 -0.007 0.000 0.752 370 E HN 0.489 nan 8.360 nan 0.000 0.466 371 L N 1.359 122.531 121.223 -0.084 0.000 2.027 371 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 371 L C 2.237 178.988 176.870 -0.198 0.000 1.074 371 L CA 1.666 56.427 54.840 -0.132 0.000 0.745 371 L CB -0.299 41.680 42.059 -0.133 0.000 0.898 371 L HN -0.045 nan 8.230 nan 0.000 0.433 372 R N -0.585 119.801 120.500 -0.189 0.000 2.082 372 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 372 R C 2.194 178.074 176.300 -0.701 0.000 1.136 372 R CA 1.574 57.528 56.100 -0.244 0.000 0.935 372 R CB -1.000 29.289 30.300 -0.018 0.000 0.842 372 R HN 0.498 nan 8.270 nan 0.000 0.430 373 A N 1.320 123.772 122.820 -0.614 0.000 1.948 373 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 373 A C 2.113 179.446 177.584 -0.419 0.000 1.177 373 A CA 1.368 53.016 52.037 -0.648 0.000 0.636 373 A CB -0.531 18.384 19.000 -0.142 0.000 0.815 373 A HN 0.254 nan 8.150 nan 0.000 0.449 374 L N -0.426 120.648 121.223 -0.248 0.000 2.362 374 L HA -0.032 4.308 4.340 -0.000 0.000 0.219 374 L C 1.352 178.169 176.870 -0.087 0.000 1.134 374 L CA 1.497 56.265 54.840 -0.121 0.000 0.807 374 L CB -0.238 41.766 42.059 -0.092 0.000 0.927 374 L HN 0.388 nan 8.230 nan 0.000 0.447 375 N N -2.057 116.561 118.700 -0.136 0.000 2.171 375 N HA 0.114 4.854 4.740 -0.000 0.000 0.212 375 N C 0.113 175.754 175.510 0.219 0.000 1.184 375 N CA -0.110 52.968 53.050 0.047 0.000 0.888 375 N CB 0.397 38.884 38.487 0.001 0.000 1.038 375 N HN 0.192 nan 8.380 nan 0.000 0.517 376 F N 1.165 121.232 119.950 0.195 0.000 2.626 376 F HA -0.083 4.444 4.527 -0.000 0.000 0.354 376 F C 1.038 176.877 175.800 0.064 0.000 1.168 376 F CA -0.480 57.566 58.000 0.077 0.000 1.368 376 F CB 0.287 39.316 39.000 0.049 0.000 1.092 376 F HN -0.018 nan 8.300 nan 0.000 0.612 377 Y N 0.780 121.238 120.300 0.263 0.000 2.459 377 Y HA -0.066 4.484 4.550 -0.000 0.000 0.349 377 Y C 0.748 176.696 175.900 0.079 0.000 1.266 377 Y CA -0.190 58.002 58.100 0.153 0.000 1.483 377 Y CB 0.103 38.614 38.460 0.085 0.000 1.362 377 Y HN 0.402 nan 8.280 nan 0.000 0.628 378 D N 2.345 122.867 120.400 0.204 0.000 2.372 378 D HA 0.155 4.795 4.640 -0.000 0.000 0.243 378 D C -2.173 174.162 176.300 0.059 0.000 1.121 378 D CA -1.132 52.919 54.000 0.086 0.000 0.898 378 D CB 0.687 41.496 40.800 0.016 0.000 1.202 378 D HN 0.234 nan 8.370 nan 0.000 0.428 379 P HA 0.133 nan 4.420 nan 0.000 0.271 379 P C -2.426 174.875 177.300 0.002 0.000 1.238 379 P CA -0.761 62.336 63.100 -0.005 0.000 0.794 379 P CB -0.262 31.441 31.700 0.004 0.000 0.959 380 P HA 0.280 nan 4.420 nan 0.000 0.279 380 P C -0.585 176.723 177.300 0.012 0.000 1.252 380 P CA 0.052 63.157 63.100 0.009 0.000 0.811 380 P CB 0.239 31.947 31.700 0.014 0.000 1.035 399 K N 0.668 121.071 120.400 0.005 0.000 5.510 399 K HA -0.182 4.138 4.320 -0.000 0.000 0.595 399 K C -1.352 175.246 176.600 -0.004 0.000 1.631 399 K CA 1.245 57.535 56.287 0.005 0.000 1.368 399 K CB -2.142 30.363 32.500 0.007 0.000 1.839 399 K HN 0.649 nan 8.250 nan 0.000 0.296 400 T N 4.164 118.721 114.554 0.006 0.000 2.909 400 T HA 0.216 4.566 4.350 -0.000 0.000 0.286 400 T C 0.515 175.223 174.700 0.013 0.000 1.002 400 T CA -0.685 61.417 62.100 0.004 0.000 1.074 400 T CB 1.042 69.919 68.868 0.016 0.000 0.984 400 T HN 0.479 nan 8.240 nan 0.000 0.495 401 Q N 1.284 121.087 119.800 0.005 0.000 2.454 401 Q HA 0.393 4.733 4.340 -0.000 0.000 0.247 401 Q C 0.653 176.752 176.000 0.166 0.000 1.028 401 Q CA -0.248 55.591 55.803 0.060 0.000 0.910 401 Q CB 0.456 29.207 28.738 0.022 0.000 1.276 401 Q HN 0.816 nan 8.270 nan 0.000 0.489 402 T N -2.723 112.001 114.554 0.284 0.000 2.910 402 T HA 0.569 4.919 4.350 -0.000 0.000 0.287 402 T C 0.132 174.973 174.700 0.235 0.000 1.050 402 T CA -0.826 61.366 62.100 0.153 0.000 1.011 402 T CB 1.503 70.420 68.868 0.082 0.000 1.195 402 T HN 0.674 nan 8.240 nan 0.000 0.540 403 T N -1.511 113.001 114.554 -0.071 0.000 2.862 403 T HA 0.261 4.611 4.350 -0.000 0.000 0.276 403 T C 1.454 176.087 174.700 -0.112 0.000 0.974 403 T CA -0.362 61.664 62.100 -0.124 0.000 0.966 403 T CB 0.254 68.624 68.868 -0.830 0.000 1.072 403 T HN 0.907 nan 8.240 nan 0.000 0.538 404 H N -0.069 119.008 119.070 0.011 0.000 2.560 404 H HA -0.071 4.485 4.556 -0.000 0.000 0.283 404 H C 1.036 176.456 175.328 0.154 0.000 1.028 404 H CA 1.194 57.310 56.048 0.113 0.000 1.221 404 H CB -0.856 29.043 29.762 0.227 0.000 1.363 404 H HN 0.927 nan 8.280 nan 0.000 0.594 405 Y N -1.360 118.823 120.300 -0.195 0.000 2.467 405 Y HA 0.508 5.058 4.550 -0.000 0.000 0.250 405 Y C 1.404 177.265 175.900 -0.065 0.000 1.155 405 Y CA -0.534 57.468 58.100 -0.165 0.000 1.249 405 Y CB 0.278 38.585 38.460 -0.254 0.000 1.146 405 Y HN 0.187 nan 8.280 nan 0.000 0.524 406 G N 1.241 109.927 108.800 -0.191 0.000 2.203 406 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.231 406 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.231 406 G C -0.413 174.435 174.900 -0.087 0.000 1.058 406 G CA 0.126 45.180 45.100 -0.077 0.000 0.781 406 G HN 0.659 nan 8.290 nan 0.000 0.496 407 Q N -0.027 119.641 119.800 -0.220 0.000 2.342 407 Q HA 0.606 4.946 4.340 -0.000 0.000 0.267 407 Q C -0.046 175.921 176.000 -0.055 0.000 1.038 407 Q CA -0.844 54.908 55.803 -0.085 0.000 0.832 407 Q CB 1.356 30.093 28.738 -0.001 0.000 1.323 407 Q HN 0.430 nan 8.270 nan 0.000 0.448 408 E N 1.834 122.042 120.200 0.013 0.000 2.360 408 E HA 0.155 4.505 4.350 -0.000 0.000 0.269 408 E C -0.826 175.797 176.600 0.038 0.000 1.022 408 E CA -0.326 56.086 56.400 0.021 0.000 0.887 408 E CB 1.474 31.194 29.700 0.034 0.000 0.990 408 E HN 0.370 nan 8.360 nan 0.000 0.426 409 V N 3.019 122.906 119.914 -0.044 0.000 2.288 409 V HA 0.200 4.320 4.120 -0.000 0.000 0.266 409 V C 0.557 176.649 176.094 -0.002 0.000 1.048 409 V CA 0.089 62.332 62.300 -0.095 0.000 0.842 409 V CB 0.645 32.137 31.823 -0.552 0.000 1.064 409 V HN 0.811 nan 8.190 nan 0.000 0.472 410 A N 3.438 126.309 122.820 0.085 0.000 2.430 410 A HA 0.268 4.588 4.320 -0.000 0.000 0.243 410 A C 0.911 178.543 177.584 0.080 0.000 1.254 410 A CA 0.224 52.301 52.037 0.067 0.000 0.914 410 A CB 0.033 19.073 19.000 0.066 0.000 0.998 410 A HN 0.766 nan 8.150 nan 0.000 0.515 411 D N -1.827 118.649 120.400 0.128 0.000 2.599 411 D HA 0.099 4.739 4.640 -0.000 0.000 0.249 411 D C -0.085 176.188 176.300 -0.044 0.000 1.313 411 D CA -0.371 53.699 54.000 0.117 0.000 0.815 411 D CB -1.338 39.607 40.800 0.242 0.000 1.077 411 D HN 0.060 nan 8.370 nan 0.000 0.492 412 C N 1.934 121.144 119.300 -0.151 0.000 2.520 412 C HA 0.374 4.834 4.460 -0.000 0.000 0.369 412 C C 1.581 176.220 174.990 -0.585 0.000 1.244 412 C CA -0.327 58.362 59.018 -0.549 0.000 1.677 412 C CB -1.004 26.622 27.740 -0.189 0.000 2.324 412 C HN 0.358 nan 8.230 nan 0.000 0.557 413 V N 5.677 125.053 119.914 -0.896 0.000 3.376 413 V HA 0.182 4.302 4.120 -0.000 0.000 0.313 413 V C 1.543 177.221 176.094 -0.693 0.000 1.393 413 V CA 0.528 62.465 62.300 -0.604 0.000 1.125 413 V CB -0.918 30.561 31.823 -0.575 0.000 1.037 413 V HN 0.877 nan 8.190 nan 0.000 0.440 414 L N 1.567 122.336 121.223 -0.757 0.000 1.990 414 L HA -0.083 4.257 4.340 -0.000 0.000 0.213 414 L C 2.831 179.374 176.870 -0.544 0.000 1.072 414 L CA 2.313 56.686 54.840 -0.777 0.000 0.755 414 L CB -1.064 40.315 42.059 -1.134 0.000 0.889 414 L HN 0.525 nan 8.230 nan 0.000 0.432 415 G N -0.828 107.809 108.800 -0.273 0.000 2.586 415 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 415 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 415 G C 1.462 176.352 174.900 -0.017 0.000 1.216 415 G CA 1.084 46.207 45.100 0.038 0.000 0.786 415 G HN 0.416 nan 8.290 nan 0.000 0.583 416 E N -0.294 119.862 120.200 -0.073 0.000 2.072 416 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 416 E C 2.568 179.134 176.600 -0.057 0.000 0.985 416 E CA 0.653 57.058 56.400 0.008 0.000 0.801 416 E CB -0.153 29.618 29.700 0.119 0.000 0.750 416 E HN 0.421 nan 8.360 nan 0.000 0.452 417 L N 0.348 121.338 121.223 -0.389 0.000 2.017 417 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 417 L C 2.381 179.145 176.870 -0.176 0.000 1.073 417 L CA 0.961 55.511 54.840 -0.483 0.000 0.745 417 L CB -0.129 41.414 42.059 -0.859 0.000 0.894 417 L HN 0.008 nan 8.230 nan 0.000 0.432 418 V N -0.517 119.301 119.914 -0.160 0.000 2.261 418 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 418 V C 2.537 178.639 176.094 0.014 0.000 1.047 418 V CA 2.373 64.646 62.300 -0.046 0.000 1.015 418 V CB -0.764 31.106 31.823 0.078 0.000 0.642 418 V HN 0.544 nan 8.190 nan 0.000 0.446 419 T N -0.412 114.173 114.554 0.051 0.000 2.624 419 T HA -0.321 4.029 4.350 -0.000 0.000 0.268 419 T C 2.038 176.784 174.700 0.076 0.000 1.041 419 T CA 2.220 64.367 62.100 0.078 0.000 1.159 419 T CB -0.334 68.585 68.868 0.085 0.000 0.863 419 T HN 0.395 nan 8.240 nan 0.000 0.434 420 R N 0.243 120.796 120.500 0.088 0.000 2.091 420 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 420 R C 2.448 178.795 176.300 0.078 0.000 1.136 420 R CA 1.350 57.517 56.100 0.110 0.000 0.959 420 R CB -0.486 29.934 30.300 0.200 0.000 0.856 420 R HN 0.318 nan 8.270 nan 0.000 0.437 421 L N 1.311 122.561 121.223 0.045 0.000 2.017 421 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 421 L C 2.129 178.997 176.870 -0.004 0.000 1.073 421 L CA 1.803 56.650 54.840 0.013 0.000 0.745 421 L CB -0.568 41.474 42.059 -0.029 0.000 0.894 421 L HN 0.233 nan 8.230 nan 0.000 0.432 422 Q N -0.471 119.320 119.800 -0.015 0.000 2.077 422 Q HA -0.290 4.050 4.340 -0.000 0.000 0.206 422 Q C 2.244 178.319 176.000 0.124 0.000 0.989 422 Q CA 2.493 58.318 55.803 0.036 0.000 0.853 422 Q CB -0.112 28.695 28.738 0.115 0.000 0.907 422 Q HN 0.512 nan 8.270 nan 0.000 0.418 423 K N -0.193 120.266 120.400 0.098 0.000 2.062 423 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 423 K C 2.311 178.958 176.600 0.077 0.000 1.051 423 K CA 1.319 57.662 56.287 0.093 0.000 0.941 423 K CB -0.078 32.470 32.500 0.079 0.000 0.719 423 K HN 0.173 nan 8.250 nan 0.000 0.440 424 S N 0.727 116.466 115.700 0.064 0.000 2.419 424 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 424 S C 2.150 176.782 174.600 0.054 0.000 1.016 424 S CA 1.018 59.250 58.200 0.053 0.000 0.974 424 S CB -0.185 63.044 63.200 0.049 0.000 0.786 424 S HN 0.263 nan 8.310 nan 0.000 0.492 425 A N 1.349 124.206 122.820 0.061 0.000 2.021 425 A HA 0.263 4.583 4.320 -0.000 0.000 0.216 425 A C 1.305 178.952 177.584 0.105 0.000 1.163 425 A CA 0.856 52.933 52.037 0.067 0.000 0.676 425 A CB -0.772 18.255 19.000 0.045 0.000 0.818 425 A HN 0.714 nan 8.150 nan 0.000 0.453 426 N N -4.517 114.261 118.700 0.131 0.000 3.049 426 N HA -0.194 4.546 4.740 -0.000 0.000 0.243 426 N C 0.287 175.902 175.510 0.175 0.000 1.053 426 N CA 0.805 53.927 53.050 0.120 0.000 0.869 426 N CB -1.980 36.555 38.487 0.080 0.000 1.114 426 N HN 0.269 nan 8.380 nan 0.000 0.547 427 F N 0.931 120.893 119.950 0.020 0.000 2.063 427 F HA -0.296 4.231 4.527 -0.000 0.000 0.297 427 F C 2.365 178.176 175.800 0.017 0.000 1.099 427 F CA 2.528 60.540 58.000 0.020 0.000 1.220 427 F CB -1.059 37.959 39.000 0.031 0.000 0.972 427 F HN 0.241 nan 8.300 nan 0.000 0.487 428 T N -0.966 113.559 114.554 -0.050 0.000 2.674 428 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 428 T C 1.970 176.590 174.700 -0.133 0.000 1.039 428 T CA 2.214 64.209 62.100 -0.175 0.000 1.150 428 T CB -0.607 68.233 68.868 -0.046 0.000 0.864 428 T HN 0.296 nan 8.240 nan 0.000 0.427 429 T N 1.563 116.088 114.554 -0.049 0.000 2.759 429 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 429 T C 2.153 176.826 174.700 -0.046 0.000 1.042 429 T CA 0.958 63.037 62.100 -0.034 0.000 1.140 429 T CB -0.114 68.752 68.868 -0.002 0.000 0.864 429 T HN 0.269 nan 8.240 nan 0.000 0.455 430 R N 0.303 120.778 120.500 -0.043 0.000 2.092 430 R HA 0.061 4.401 4.340 -0.000 0.000 0.231 430 R C 2.656 178.904 176.300 -0.086 0.000 1.119 430 R CA 0.959 57.037 56.100 -0.038 0.000 0.970 430 R CB -0.193 30.119 30.300 0.021 0.000 0.864 430 R HN 0.241 nan 8.270 nan 0.000 0.440 431 R N 0.387 120.775 120.500 -0.187 0.000 2.105 431 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 431 R C 2.063 178.296 176.300 -0.112 0.000 1.135 431 R CA 1.640 57.613 56.100 -0.211 0.000 0.967 431 R CB -0.129 29.931 30.300 -0.401 0.000 0.861 431 R HN 0.206 nan 8.270 nan 0.000 0.442 432 A N 0.324 123.091 122.820 -0.089 0.000 1.874 432 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 432 A C 1.863 179.442 177.584 -0.008 0.000 1.189 432 A CA 1.226 53.236 52.037 -0.044 0.000 0.615 432 A CB -0.364 18.612 19.000 -0.039 0.000 0.830 432 A HN 0.404 nan 8.150 nan 0.000 0.443 433 E N -0.144 120.051 120.200 -0.008 0.000 2.097 433 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 433 E C 1.824 178.459 176.600 0.059 0.000 1.000 433 E CA 1.517 57.931 56.400 0.023 0.000 0.804 433 E CB -0.308 29.392 29.700 -0.001 0.000 0.740 433 E HN 0.699 nan 8.360 nan 0.000 0.454 434 I N 0.597 121.177 120.570 0.018 0.000 2.163 434 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 434 I C 2.550 178.735 176.117 0.113 0.000 1.081 434 I CA 0.852 62.179 61.300 0.044 0.000 1.353 434 I CB -0.400 37.587 38.000 -0.023 0.000 1.054 434 I HN 0.116 nan 8.210 nan 0.000 0.407 435 A N 1.060 123.911 122.820 0.052 0.000 1.859 435 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 435 A C 2.568 180.197 177.584 0.075 0.000 1.198 435 A CA 2.497 54.563 52.037 0.049 0.000 0.629 435 A CB -1.194 17.812 19.000 0.010 0.000 0.830 435 A HN 0.458 nan 8.150 nan 0.000 0.446 436 A N -1.785 121.078 122.820 0.073 0.000 1.884 436 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 436 A C 2.049 179.704 177.584 0.118 0.000 1.197 436 A CA 1.951 54.033 52.037 0.075 0.000 0.637 436 A CB -1.239 17.802 19.000 0.068 0.000 0.827 436 A HN 0.902 nan 8.150 nan 0.000 0.450 437 W N 1.078 122.364 121.300 -0.023 0.000 2.342 437 W HA -0.210 4.450 4.660 -0.000 0.000 0.297 437 W C 1.950 178.454 176.519 -0.024 0.000 1.213 437 W CA 2.021 59.353 57.345 -0.021 0.000 1.251 437 W CB -0.158 29.291 29.460 -0.019 0.000 1.136 437 W HN 0.386 nan 8.180 nan 0.000 0.526 438 N N -0.113 118.745 118.700 0.263 0.000 2.142 438 N HA -0.178 4.561 4.740 -0.000 0.000 0.186 438 N C 1.941 177.427 175.510 -0.041 0.000 1.023 438 N CA 2.094 55.225 53.050 0.135 0.000 0.852 438 N CB -1.112 37.458 38.487 0.138 0.000 0.998 438 N HN 0.240 nan 8.380 nan 0.000 0.424 439 S N -1.335 114.348 115.700 -0.028 0.000 2.500 439 S HA -0.022 4.448 4.470 -0.000 0.000 0.239 439 S C 1.527 176.061 174.600 -0.109 0.000 0.989 439 S CA 1.029 59.194 58.200 -0.058 0.000 0.951 439 S CB -0.299 62.881 63.200 -0.033 0.000 0.759 439 S HN 0.144 nan 8.310 nan 0.000 0.523 440 T N 1.345 115.789 114.554 -0.184 0.000 3.069 440 T HA 0.305 4.655 4.350 -0.000 0.000 0.252 440 T C -0.099 174.411 174.700 -0.317 0.000 1.053 440 T CA -0.241 61.720 62.100 -0.232 0.000 0.964 440 T CB -0.178 68.530 68.868 -0.268 0.000 1.005 440 T HN 0.461 nan 8.240 nan 0.000 0.532 441 N N 0.922 119.406 118.700 -0.360 0.000 2.314 441 N HA 0.399 5.139 4.740 -0.000 0.000 0.304 441 N C 0.843 176.234 175.510 -0.198 0.000 1.073 441 N CA -0.735 52.096 53.050 -0.365 0.000 0.822 441 N CB 1.437 39.562 38.487 -0.603 0.000 1.280 441 N HN 0.108 nan 8.380 nan 0.000 0.489 442 R N -0.207 120.202 120.500 -0.151 0.000 2.476 442 R HA 0.270 4.610 4.340 -0.000 0.000 0.276 442 R C -0.162 176.098 176.300 -0.067 0.000 0.941 442 R CA 0.160 56.204 56.100 -0.093 0.000 1.088 442 R CB 0.268 30.522 30.300 -0.078 0.000 1.216 442 R HN 0.384 nan 8.270 nan 0.000 0.533 443 T N 0.658 115.171 114.554 -0.069 0.000 3.026 443 T HA 0.351 4.701 4.350 -0.000 0.000 0.245 443 T C 0.524 175.223 174.700 -0.002 0.000 1.004 443 T CA 0.089 62.169 62.100 -0.034 0.000 1.069 443 T CB 0.305 69.155 68.868 -0.030 0.000 1.005 443 T HN -0.016 nan 8.240 nan 0.000 0.472 444 L N 0.985 122.217 121.223 0.015 0.000 2.358 444 L HA 0.852 5.192 4.340 -0.000 0.000 0.268 444 L C -0.515 176.459 176.870 0.174 0.000 1.032 444 L CA -1.190 53.722 54.840 0.120 0.000 0.805 444 L CB 1.401 43.620 42.059 0.268 0.000 1.253 444 L HN 0.097 nan 8.230 nan 0.000 0.452 445 A N 1.351 124.306 122.820 0.225 0.000 2.517 445 A HA 0.649 4.969 4.320 -0.000 0.000 0.297 445 A C -1.049 176.637 177.584 0.170 0.000 1.050 445 A CA -0.727 51.456 52.037 0.242 0.000 0.694 445 A CB 1.614 20.671 19.000 0.094 0.000 1.277 445 A HN 0.704 nan 8.150 nan 0.000 0.400 446 R N 0.355 120.952 120.500 0.163 0.000 2.596 446 R HA 0.745 5.085 4.340 -0.000 0.000 0.267 446 R C 0.138 176.427 176.300 -0.018 0.000 1.026 446 R CA -0.252 55.827 56.100 -0.035 0.000 1.087 446 R CB 2.060 32.216 30.300 -0.239 0.000 1.132 446 R HN 0.961 nan 8.270 nan 0.000 0.531 447 G N 0.647 109.422 108.800 -0.043 0.000 2.696 447 G HA2 0.648 4.608 3.960 -0.000 0.000 0.295 447 G HA3 0.648 4.608 3.960 -0.000 0.000 0.295 447 G C -1.652 173.248 174.900 0.000 0.000 1.398 447 G CA -0.472 44.614 45.100 -0.023 0.000 0.920 447 G HN 0.494 nan 8.290 nan 0.000 0.492 448 I N 0.191 120.787 120.570 0.043 0.000 2.722 448 I HA 0.724 4.894 4.170 -0.000 0.000 0.292 448 I C -0.818 175.405 176.117 0.178 0.000 1.267 448 I CA -0.799 60.564 61.300 0.105 0.000 1.036 448 I CB 2.077 40.158 38.000 0.134 0.000 1.281 448 I HN 0.950 nan 8.210 nan 0.000 0.423 449 A N 6.333 129.260 122.820 0.180 0.000 2.587 449 A HA 0.766 5.086 4.320 -0.000 0.000 0.293 449 A C -2.205 175.438 177.584 0.098 0.000 1.087 449 A CA -0.535 51.613 52.037 0.185 0.000 0.692 449 A CB 1.920 21.001 19.000 0.134 0.000 1.291 449 A HN 0.695 nan 8.150 nan 0.000 0.407 450 L N 1.513 122.773 121.223 0.060 0.000 2.307 450 L HA 0.821 5.161 4.340 -0.000 0.000 0.284 450 L C -0.034 176.874 176.870 0.064 0.000 1.023 450 L CA 0.162 54.972 54.840 -0.050 0.000 0.810 450 L CB 1.844 43.800 42.059 -0.172 0.000 1.231 450 L HN 0.924 nan 8.230 nan 0.000 0.423 451 S N 6.492 122.237 115.700 0.073 0.000 2.571 451 S HA 0.799 5.269 4.470 -0.000 0.000 0.284 451 S C -3.052 171.620 174.600 0.119 0.000 1.128 451 S CA -1.117 57.159 58.200 0.128 0.000 0.970 451 S CB 2.209 65.488 63.200 0.131 0.000 1.039 451 S HN 0.553 nan 8.310 nan 0.000 0.485 452 P HA 0.643 nan 4.420 nan 0.000 0.289 452 P C -1.281 176.061 177.300 0.069 0.000 1.293 452 P CA -0.766 62.378 63.100 0.073 0.000 0.897 452 P CB 1.766 33.507 31.700 0.069 0.000 1.166 453 V N 1.397 121.337 119.914 0.044 0.000 2.789 453 V HA 0.558 4.678 4.120 -0.000 0.000 0.311 453 V C -0.154 175.947 176.094 0.011 0.000 1.073 453 V CA -0.514 61.831 62.300 0.074 0.000 0.921 453 V CB 2.072 33.975 31.823 0.134 0.000 1.009 453 V HN 0.685 nan 8.190 nan 0.000 0.426 454 K N 3.888 124.284 120.400 -0.006 0.000 2.716 454 K HA 0.516 4.836 4.320 -0.000 0.000 0.249 454 K C -2.193 174.400 176.600 -0.012 0.000 1.004 454 K CA -0.366 55.788 56.287 -0.222 0.000 0.968 454 K CB 1.291 33.645 32.500 -0.243 0.000 1.214 454 K HN 0.498 nan 8.250 nan 0.000 0.476 455 F N 2.449 122.315 119.950 -0.141 0.000 2.482 455 F HA 0.653 5.180 4.527 -0.000 0.000 0.331 455 F C 0.275 176.012 175.800 -0.104 0.000 1.115 455 F CA -0.355 57.652 58.000 0.010 0.000 0.955 455 F CB 1.880 40.850 39.000 -0.050 0.000 1.136 455 F HN 0.642 nan 8.300 nan 0.000 0.452 456 G N 5.786 114.270 108.800 -0.528 0.000 2.420 456 G HA2 0.514 4.474 3.960 -0.000 0.000 0.284 456 G HA3 0.514 4.474 3.960 -0.000 0.000 0.284 456 G C -1.176 173.121 174.900 -1.005 0.000 1.177 456 G CA -0.510 43.769 45.100 -1.368 0.000 0.841 456 G HN 0.489 nan 8.290 nan 0.000 0.527 457 I N 0.818 120.927 120.570 -0.769 0.000 2.418 457 I HA 0.582 4.752 4.170 -0.000 0.000 0.287 457 I C -0.018 175.994 176.117 -0.175 0.000 1.008 457 I CA -0.372 60.674 61.300 -0.424 0.000 1.104 457 I CB 0.690 38.227 38.000 -0.772 0.000 1.264 457 I HN 0.523 nan 8.210 nan 0.000 0.438 458 S N 4.534 120.179 115.700 -0.093 0.000 2.998 458 S HA 0.134 4.604 4.470 -0.000 0.000 0.237 458 S C -0.788 173.756 174.600 -0.093 0.000 0.615 458 S CA -0.915 57.236 58.200 -0.081 0.000 0.917 458 S CB -0.001 63.192 63.200 -0.012 0.000 1.140 458 S HN 0.332 nan 8.310 nan 0.000 0.604 459 F N 2.212 122.121 119.950 -0.067 0.000 2.529 459 F HA 0.192 4.719 4.527 -0.000 0.000 0.365 459 F C 2.291 178.038 175.800 -0.089 0.000 1.102 459 F CA 0.839 58.785 58.000 -0.090 0.000 1.271 459 F CB 0.804 39.728 39.000 -0.127 0.000 1.120 459 F HN 0.782 nan 8.300 nan 0.000 0.579 460 T N 0.411 115.052 114.554 0.145 0.000 3.118 460 T HA 0.014 4.364 4.350 -0.000 0.000 0.260 460 T C 0.546 175.435 174.700 0.314 0.000 1.139 460 T CA 0.176 62.304 62.100 0.046 0.000 1.085 460 T CB -0.030 68.869 68.868 0.052 0.000 0.934 460 T HN 0.206 nan 8.240 nan 0.000 0.518 461 L N 3.289 124.655 121.223 0.239 0.000 2.315 461 L HA 0.409 4.749 4.340 -0.000 0.000 0.278 461 L C 1.211 178.112 176.870 0.052 0.000 1.088 461 L CA 0.090 55.026 54.840 0.159 0.000 0.899 461 L CB -0.355 41.721 42.059 0.028 0.000 1.277 461 L HN 0.217 nan 8.230 nan 0.000 0.431 462 T N 2.378 117.034 114.554 0.171 0.000 2.620 462 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 462 T C 1.615 176.348 174.700 0.055 0.000 1.044 462 T CA 2.306 64.481 62.100 0.124 0.000 1.161 462 T CB -0.361 68.609 68.868 0.169 0.000 0.862 462 T HN 0.721 nan 8.240 nan 0.000 0.438 463 H N 1.057 120.146 119.070 0.032 0.000 2.568 463 H HA 0.090 4.646 4.556 -0.000 0.000 0.281 463 H C 1.683 176.997 175.328 -0.025 0.000 1.028 463 H CA 0.546 56.602 56.048 0.013 0.000 1.199 463 H CB -0.763 29.008 29.762 0.016 0.000 1.352 463 H HN 0.365 nan 8.280 nan 0.000 0.605 464 L N 0.583 121.534 121.223 -0.455 0.000 2.591 464 L HA 0.046 4.386 4.340 -0.000 0.000 0.228 464 L C 0.409 177.154 176.870 -0.207 0.000 1.133 464 L CA 0.005 54.536 54.840 -0.515 0.000 0.880 464 L CB -0.083 41.356 42.059 -1.034 0.000 1.033 464 L HN 0.136 nan 8.230 nan 0.000 0.450 465 N N 2.604 121.290 118.700 -0.025 0.000 3.188 465 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 465 N C -0.552 174.946 175.510 -0.021 0.000 1.213 465 N CA 0.107 53.207 53.050 0.083 0.000 1.138 465 N CB 0.530 39.067 38.487 0.082 0.000 1.417 465 N HN 0.475 nan 8.380 nan 0.000 0.526 466 Q N -0.598 119.183 119.800 -0.032 0.000 2.462 466 Q HA 0.848 5.188 4.340 -0.000 0.000 0.285 466 Q C -1.877 174.058 176.000 -0.109 0.000 1.035 466 Q CA -1.265 54.444 55.803 -0.157 0.000 0.799 466 Q CB 2.150 30.877 28.738 -0.018 0.000 1.452 466 Q HN 0.124 nan 8.270 nan 0.000 0.404 467 A N 0.274 122.932 122.820 -0.270 0.000 2.605 467 A HA 0.917 5.237 4.320 -0.000 0.000 0.294 467 A C -1.083 176.476 177.584 -0.042 0.000 1.062 467 A CA -0.124 51.876 52.037 -0.061 0.000 0.682 467 A CB 1.762 20.768 19.000 0.009 0.000 1.278 467 A HN 1.052 nan 8.150 nan 0.000 0.410 468 G N -0.945 107.942 108.800 0.144 0.000 2.642 468 G HA2 0.971 4.931 3.960 -0.000 0.000 0.293 468 G HA3 0.971 4.931 3.960 -0.000 0.000 0.293 468 G C -0.616 174.390 174.900 0.177 0.000 1.341 468 G CA 0.066 45.310 45.100 0.239 0.000 0.916 468 G HN 2.100 nan 8.290 nan 0.000 0.474 469 A N -0.750 122.168 122.820 0.162 0.000 2.593 469 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 469 A C -2.011 175.632 177.584 0.098 0.000 1.126 469 A CA -0.615 51.504 52.037 0.137 0.000 0.695 469 A CB 2.028 21.104 19.000 0.126 0.000 1.290 469 A HN 1.748 nan 8.150 nan 0.000 0.414 470 L N 0.582 121.849 121.223 0.073 0.000 2.464 470 L HA 0.777 5.117 4.340 -0.000 0.000 0.266 470 L C -1.560 175.321 176.870 0.018 0.000 0.965 470 L CA -0.311 54.551 54.840 0.037 0.000 0.833 470 L CB 2.117 44.191 42.059 0.026 0.000 1.296 470 L HN 0.606 nan 8.230 nan 0.000 0.405 471 V N 3.932 123.843 119.914 -0.005 0.000 2.823 471 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 471 V C -0.974 175.071 176.094 -0.081 0.000 1.072 471 V CA -0.631 61.652 62.300 -0.030 0.000 0.937 471 V CB 1.989 33.801 31.823 -0.017 0.000 1.013 471 V HN 0.751 nan 8.190 nan 0.000 0.430 472 Q N 3.627 123.345 119.800 -0.136 0.000 2.331 472 Q HA 0.633 4.973 4.340 -0.000 0.000 0.272 472 Q C -1.383 174.418 176.000 -0.332 0.000 1.062 472 Q CA -0.503 55.136 55.803 -0.274 0.000 0.806 472 Q CB 3.165 31.639 28.738 -0.440 0.000 1.312 472 Q HN 0.678 nan 8.270 nan 0.000 0.431 473 I N 2.157 122.547 120.570 -0.300 0.000 2.354 473 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 473 I C -0.507 175.407 176.117 -0.338 0.000 0.989 473 I CA -0.802 60.369 61.300 -0.215 0.000 1.188 473 I CB 0.688 38.672 38.000 -0.026 0.000 1.342 473 I HN 0.476 nan 8.210 nan 0.000 0.457 474 Y N 2.470 122.753 120.300 -0.030 0.000 2.326 474 Y HA 0.095 4.645 4.550 -0.000 0.000 0.324 474 Y C 2.004 177.836 175.900 -0.112 0.000 1.291 474 Y CA -0.351 57.698 58.100 -0.084 0.000 1.348 474 Y CB 0.953 39.374 38.460 -0.066 0.000 1.294 474 Y HN 0.665 nan 8.280 nan 0.000 0.525 475 T N -3.341 111.199 114.554 -0.022 0.000 3.025 475 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 475 T C 0.837 175.525 174.700 -0.021 0.000 1.126 475 T CA 1.267 63.304 62.100 -0.106 0.000 1.105 475 T CB -0.350 68.376 68.868 -0.237 0.000 0.884 475 T HN 0.750 nan 8.240 nan 0.000 0.522 476 D N 0.689 121.108 120.400 0.032 0.000 2.340 476 D HA 0.199 4.839 4.640 -0.000 0.000 0.220 476 D C 1.672 178.026 176.300 0.091 0.000 1.039 476 D CA 0.528 54.556 54.000 0.047 0.000 0.866 476 D CB -0.698 40.124 40.800 0.037 0.000 0.913 476 D HN 0.568 nan 8.370 nan 0.000 0.523 477 G N 0.508 109.374 108.800 0.110 0.000 2.199 477 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 477 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 477 G C 0.480 175.537 174.900 0.262 0.000 0.982 477 G CA 0.534 45.764 45.100 0.216 0.000 0.632 477 G HN 0.835 nan 8.290 nan 0.000 0.529 478 S N -0.793 115.021 115.700 0.191 0.000 2.589 478 S HA 0.667 5.137 4.470 -0.000 0.000 0.265 478 S C 0.074 174.794 174.600 0.200 0.000 1.342 478 S CA 0.166 58.470 58.200 0.173 0.000 1.005 478 S CB 2.344 65.624 63.200 0.133 0.000 0.909 478 S HN 1.208 nan 8.310 nan 0.000 0.555 479 V N 0.791 120.789 119.914 0.140 0.000 2.789 479 V HA 0.785 4.905 4.120 -0.000 0.000 0.311 479 V C -0.088 176.054 176.094 0.080 0.000 1.073 479 V CA -0.605 61.745 62.300 0.083 0.000 0.921 479 V CB 1.641 33.486 31.823 0.037 0.000 1.009 479 V HN 1.260 nan 8.190 nan 0.000 0.426 480 A N 4.198 127.050 122.820 0.053 0.000 2.318 480 A HA 0.878 5.198 4.320 -0.000 0.000 0.317 480 A C -1.308 176.279 177.584 0.004 0.000 1.159 480 A CA -0.470 51.602 52.037 0.058 0.000 0.799 480 A CB 1.250 20.332 19.000 0.136 0.000 1.194 480 A HN 0.809 nan 8.150 nan 0.000 0.479 481 L N 2.806 124.029 121.223 -0.000 0.000 2.322 481 L HA 0.628 4.968 4.340 -0.000 0.000 0.281 481 L C -0.648 176.223 176.870 0.001 0.000 1.014 481 L CA -0.302 54.544 54.840 0.011 0.000 0.815 481 L CB 1.456 43.529 42.059 0.024 0.000 1.247 481 L HN 0.765 nan 8.230 nan 0.000 0.421 482 N N 2.553 121.272 118.700 0.031 0.000 2.287 482 N HA 0.483 5.223 4.740 -0.000 0.000 0.289 482 N C -1.607 173.952 175.510 0.082 0.000 1.066 482 N CA -0.297 52.745 53.050 -0.013 0.000 0.841 482 N CB 1.691 40.158 38.487 -0.033 0.000 1.599 482 N HN 0.952 nan 8.380 nan 0.000 0.476 483 H N -1.010 118.084 119.070 0.040 0.000 2.966 483 H HA 0.476 5.032 4.556 0.000 0.000 0.330 483 H C 0.832 176.208 175.328 0.081 0.000 1.292 483 H CA -0.760 55.326 56.048 0.063 0.000 1.127 483 H CB 0.593 30.395 29.762 0.066 0.000 1.863 483 H HN 0.396 nan 8.280 nan 0.000 0.543 484 G N -0.475 108.448 108.800 0.205 0.000 2.534 484 G HA2 0.176 4.136 3.960 -0.000 0.000 0.217 484 G HA3 0.176 4.136 3.960 -0.000 0.000 0.217 484 G C 0.709 175.693 174.900 0.141 0.000 1.128 484 G CA 0.223 45.401 45.100 0.130 0.000 0.784 484 G HN 0.852 nan 8.290 nan 0.000 0.542 485 G N -0.483 108.513 108.800 0.327 0.000 2.616 485 G HA2 0.477 4.437 3.960 -0.000 0.000 0.268 485 G HA3 0.477 4.437 3.960 -0.000 0.000 0.268 485 G C -0.203 174.734 174.900 0.060 0.000 1.213 485 G CA 0.420 45.636 45.100 0.193 0.000 0.926 485 G HN 0.498 nan 8.290 nan 0.000 0.523 486 T N -2.258 112.282 114.554 -0.023 0.000 2.909 486 T HA 0.542 4.892 4.350 -0.000 0.000 0.299 486 T C -0.937 173.666 174.700 -0.161 0.000 1.073 486 T CA -0.826 61.228 62.100 -0.076 0.000 0.999 486 T CB 2.388 71.231 68.868 -0.041 0.000 1.098 486 T HN 0.505 nan 8.240 nan 0.000 0.477 487 E N 2.292 122.381 120.200 -0.185 0.000 2.174 487 E HA 0.527 4.877 4.350 -0.000 0.000 0.282 487 E C 0.229 176.795 176.600 -0.057 0.000 0.992 487 E CA -0.783 55.513 56.400 -0.173 0.000 0.803 487 E CB 0.880 30.489 29.700 -0.151 0.000 1.090 487 E HN 0.777 nan 8.360 nan 0.000 0.396 488 M N 2.433 121.989 119.600 -0.073 0.000 2.511 488 M HA 0.496 4.976 4.480 -0.000 0.000 0.387 488 M C 0.811 177.050 176.300 -0.102 0.000 1.112 488 M CA -0.030 55.198 55.300 -0.120 0.000 0.921 488 M CB 0.952 33.407 32.600 -0.243 0.000 1.501 488 M HN 0.586 nan 8.290 nan 0.000 0.538 489 G N 1.798 110.620 108.800 0.037 0.000 2.205 489 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.180 489 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.180 489 G C 0.645 175.630 174.900 0.142 0.000 1.004 489 G CA 0.294 45.444 45.100 0.084 0.000 0.670 489 G HN 0.588 nan 8.290 nan 0.000 0.496 490 Q N 1.013 120.860 119.800 0.079 0.000 2.280 490 Q HA 0.394 4.734 4.340 -0.000 0.000 0.201 490 Q C 1.512 177.546 176.000 0.057 0.000 0.890 490 Q CA 0.871 56.709 55.803 0.059 0.000 0.947 490 Q CB 0.210 28.944 28.738 -0.007 0.000 1.081 490 Q HN 1.748 nan 8.270 nan 0.000 0.502 491 G N 1.655 110.499 108.800 0.073 0.000 2.159 491 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.256 491 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.256 491 G C 0.567 175.395 174.900 -0.120 0.000 0.977 491 G CA 0.377 45.428 45.100 -0.082 0.000 0.652 491 G HN 0.381 nan 8.290 nan 0.000 0.531 492 L N 0.788 121.944 121.223 -0.112 0.000 2.051 492 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 492 L C 2.527 179.358 176.870 -0.065 0.000 1.076 492 L CA 3.121 57.891 54.840 -0.118 0.000 0.758 492 L CB -0.582 41.380 42.059 -0.163 0.000 0.890 492 L HN 0.482 nan 8.230 nan 0.000 0.433 493 H N -0.758 118.293 119.070 -0.032 0.000 2.395 493 H HA 0.089 4.645 4.556 -0.000 0.000 0.299 493 H C 2.170 177.455 175.328 -0.072 0.000 1.070 493 H CA 1.154 57.208 56.048 0.010 0.000 1.356 493 H CB -0.583 29.189 29.762 0.017 0.000 1.401 493 H HN 0.484 nan 8.280 nan 0.000 0.524 494 A N 1.672 124.458 122.820 -0.057 0.000 1.883 494 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 494 A C 2.341 179.900 177.584 -0.040 0.000 1.186 494 A CA 1.948 53.944 52.037 -0.069 0.000 0.624 494 A CB -0.358 18.576 19.000 -0.110 0.000 0.822 494 A HN 0.365 nan 8.150 nan 0.000 0.444 495 K N -1.111 119.261 120.400 -0.045 0.000 2.097 495 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 495 K C 1.960 178.537 176.600 -0.039 0.000 1.049 495 K CA 1.459 57.721 56.287 -0.042 0.000 0.933 495 K CB -0.247 32.228 32.500 -0.043 0.000 0.717 495 K HN 0.360 nan 8.250 nan 0.000 0.442 496 M N 0.452 120.028 119.600 -0.040 0.000 2.319 496 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 496 M C 2.209 178.499 176.300 -0.017 0.000 1.068 496 M CA 1.024 56.286 55.300 -0.063 0.000 1.118 496 M CB -0.582 31.934 32.600 -0.139 0.000 1.395 496 M HN -0.060 nan 8.290 nan 0.000 0.435 497 V N 0.664 120.576 119.914 -0.003 0.000 2.295 497 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 497 V C 2.363 178.437 176.094 -0.033 0.000 1.049 497 V CA 1.701 63.993 62.300 -0.014 0.000 1.024 497 V CB -0.593 31.220 31.823 -0.018 0.000 0.648 497 V HN 0.503 nan 8.190 nan 0.000 0.447 498 Q N -0.698 119.077 119.800 -0.042 0.000 2.061 498 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 498 Q C 2.291 178.259 176.000 -0.053 0.000 0.984 498 Q CA 2.002 57.767 55.803 -0.065 0.000 0.846 498 Q CB -0.493 28.196 28.738 -0.082 0.000 0.902 498 Q HN 0.514 nan 8.270 nan 0.000 0.421 499 V N 1.284 121.195 119.914 -0.005 0.000 2.282 499 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 499 V C 2.315 178.444 176.094 0.058 0.000 1.057 499 V CA 1.960 64.317 62.300 0.096 0.000 1.032 499 V CB -1.131 30.773 31.823 0.135 0.000 0.645 499 V HN 0.468 nan 8.190 nan 0.000 0.447 500 A N -0.018 122.807 122.820 0.008 0.000 1.865 500 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 500 A C 2.452 180.008 177.584 -0.047 0.000 1.191 500 A CA 2.341 54.370 52.037 -0.013 0.000 0.623 500 A CB -0.989 18.000 19.000 -0.020 0.000 0.826 500 A HN 0.622 nan 8.150 nan 0.000 0.444 501 A N -0.433 122.348 122.820 -0.065 0.000 1.978 501 A HA 0.111 4.431 4.320 -0.000 0.000 0.220 501 A C 2.437 179.965 177.584 -0.094 0.000 1.170 501 A CA 2.278 54.257 52.037 -0.097 0.000 0.636 501 A CB -0.853 18.092 19.000 -0.091 0.000 0.810 501 A HN 1.077 nan 8.150 nan 0.000 0.448 502 A N -0.813 121.959 122.820 -0.079 0.000 1.898 502 A HA 0.131 4.451 4.320 -0.000 0.000 0.214 502 A C 2.132 179.713 177.584 -0.006 0.000 1.183 502 A CA 1.455 53.440 52.037 -0.086 0.000 0.622 502 A CB -0.668 18.204 19.000 -0.214 0.000 0.824 502 A HN 0.400 nan 8.150 nan 0.000 0.444 503 V N 0.003 119.947 119.914 0.049 0.000 2.548 503 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 503 V C 2.326 178.399 176.094 -0.035 0.000 1.055 503 V CA 1.477 63.812 62.300 0.058 0.000 1.065 503 V CB -0.657 31.207 31.823 0.069 0.000 0.681 503 V HN 0.517 nan 8.190 nan 0.000 0.462 504 L N 0.207 121.376 121.223 -0.090 0.000 2.341 504 L HA 0.279 4.619 4.340 -0.000 0.000 0.214 504 L C 1.725 178.483 176.870 -0.187 0.000 1.115 504 L CA 1.008 55.736 54.840 -0.186 0.000 0.820 504 L CB -0.260 41.661 42.059 -0.230 0.000 0.944 504 L HN 0.559 nan 8.230 nan 0.000 0.452 505 G N 1.197 109.933 108.800 -0.107 0.000 2.140 505 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.211 505 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.211 505 G C 0.083 174.924 174.900 -0.098 0.000 1.013 505 G CA 0.308 45.401 45.100 -0.012 0.000 0.705 505 G HN 0.381 nan 8.290 nan 0.000 0.508 506 I N -3.379 117.063 120.570 -0.213 0.000 3.239 506 I HA 0.804 4.974 4.170 -0.000 0.000 0.314 506 I C -0.826 175.202 176.117 -0.148 0.000 1.126 506 I CA -1.324 59.833 61.300 -0.239 0.000 0.973 506 I CB 2.009 39.727 38.000 -0.470 0.000 1.252 506 I HN -0.060 nan 8.210 nan 0.000 0.463 507 D N 3.610 123.945 120.400 -0.108 0.000 2.351 507 D HA 0.258 4.898 4.640 -0.000 0.000 0.251 507 D C -1.690 174.567 176.300 -0.071 0.000 1.137 507 D CA -2.249 51.709 54.000 -0.071 0.000 0.879 507 D CB 1.519 42.294 40.800 -0.041 0.000 1.181 507 D HN 0.308 nan 8.370 nan 0.000 0.448 508 P HA -0.170 nan 4.420 nan 0.000 0.217 508 P C 1.568 178.844 177.300 -0.040 0.000 1.148 508 P CA 0.549 63.616 63.100 -0.054 0.000 0.828 508 P CB 0.215 31.885 31.700 -0.050 0.000 0.783 509 V N 0.121 120.016 119.914 -0.031 0.000 2.794 509 V HA -0.197 3.923 4.120 -0.000 0.000 0.260 509 V C 2.323 178.410 176.094 -0.013 0.000 1.103 509 V CA 1.632 63.920 62.300 -0.020 0.000 1.125 509 V CB -1.138 30.677 31.823 -0.013 0.000 0.702 509 V HN 0.162 nan 8.190 nan 0.000 0.494 510 Q N -0.681 119.108 119.800 -0.019 0.000 2.403 510 Q HA 0.169 4.509 4.340 -0.000 0.000 0.203 510 Q C 0.176 176.176 176.000 0.000 0.000 0.932 510 Q CA 0.299 56.100 55.803 -0.003 0.000 0.945 510 Q CB 0.673 29.396 28.738 -0.025 0.000 1.045 510 Q HN 0.505 nan 8.270 nan 0.000 0.511 511 V N 1.339 121.244 119.914 -0.015 0.000 2.409 511 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 511 V C -0.242 175.847 176.094 -0.008 0.000 1.020 511 V CA -0.914 61.380 62.300 -0.010 0.000 0.848 511 V CB 1.949 33.755 31.823 -0.028 0.000 0.990 511 V HN -0.005 nan 8.190 nan 0.000 0.430 512 R N 3.929 124.430 120.500 0.002 0.000 2.514 512 R HA 0.647 4.987 4.340 -0.000 0.000 0.301 512 R C -0.908 175.368 176.300 -0.040 0.000 0.962 512 R CA -0.576 55.515 56.100 -0.016 0.000 0.882 512 R CB 1.490 31.788 30.300 -0.004 0.000 1.143 512 R HN 0.677 nan 8.270 nan 0.000 0.452 513 I N 3.718 124.238 120.570 -0.085 0.000 2.441 513 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 513 I C -0.327 175.682 176.117 -0.181 0.000 1.049 513 I CA 0.503 61.697 61.300 -0.176 0.000 1.381 513 I CB 1.250 39.051 38.000 -0.332 0.000 1.409 513 I HN 0.865 nan 8.210 nan 0.000 0.523 514 T N 4.823 119.269 114.554 -0.180 0.000 2.928 514 T HA 0.794 5.143 4.350 -0.000 0.000 0.284 514 T C 0.250 174.841 174.700 -0.182 0.000 1.008 514 T CA -0.638 61.380 62.100 -0.137 0.000 1.057 514 T CB 1.241 70.063 68.868 -0.077 0.000 1.018 514 T HN 0.862 nan 8.240 nan 0.000 0.493 515 A N 2.211 124.968 122.820 -0.105 0.000 2.507 515 A HA 0.431 4.751 4.320 -0.000 0.000 0.235 515 A C 0.901 178.440 177.584 -0.074 0.000 1.070 515 A CA -0.361 51.635 52.037 -0.067 0.000 0.768 515 A CB -0.692 18.298 19.000 -0.016 0.000 1.011 515 A HN 0.913 nan 8.150 nan 0.000 0.502 516 T N 1.840 116.372 114.554 -0.037 0.000 2.916 516 T HA 0.366 4.716 4.350 -0.000 0.000 0.303 516 T C -0.260 174.415 174.700 -0.042 0.000 1.025 516 T CA 0.608 62.677 62.100 -0.051 0.000 1.142 516 T CB 0.247 69.104 68.868 -0.019 0.000 0.947 516 T HN 0.670 nan 8.240 nan 0.000 0.544 517 D N 1.480 121.856 120.400 -0.041 0.000 2.591 517 D HA 0.109 4.749 4.640 -0.000 0.000 0.222 517 D C 1.160 177.446 176.300 -0.024 0.000 1.360 517 D CA -0.523 53.452 54.000 -0.041 0.000 0.967 517 D CB 1.144 41.919 40.800 -0.042 0.000 1.456 517 D HN 0.495 nan 8.370 nan 0.000 0.588 518 T N 0.027 114.564 114.554 -0.027 0.000 3.052 518 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 518 T C 1.341 176.043 174.700 0.005 0.000 1.147 518 T CA 1.443 63.539 62.100 -0.006 0.000 1.089 518 T CB -0.211 68.644 68.868 -0.022 0.000 0.875 518 T HN 0.243 nan 8.240 nan 0.000 0.541 519 S N -1.059 114.637 115.700 -0.007 0.000 2.556 519 S HA 0.362 4.832 4.470 -0.000 0.000 0.216 519 S C 1.495 176.099 174.600 0.007 0.000 0.970 519 S CA -0.538 57.664 58.200 0.003 0.000 0.912 519 S CB 0.116 63.311 63.200 -0.008 0.000 0.790 519 S HN 0.524 nan 8.310 nan 0.000 0.504 520 K N 0.231 120.635 120.400 0.007 0.000 2.312 520 K HA 0.364 4.684 4.320 -0.000 0.000 0.206 520 K C -0.580 176.037 176.600 0.028 0.000 1.121 520 K CA 0.430 56.723 56.287 0.010 0.000 0.923 520 K CB 0.870 33.370 32.500 -0.001 0.000 1.162 520 K HN 0.179 nan 8.250 nan 0.000 0.478 521 V N 4.370 124.306 119.914 0.037 0.000 2.407 521 V HA 0.331 4.450 4.120 -0.000 0.000 0.291 521 V C -2.533 173.603 176.094 0.071 0.000 1.018 521 V CA -1.797 60.543 62.300 0.066 0.000 0.842 521 V CB 1.406 33.280 31.823 0.086 0.000 0.996 521 V HN 0.164 nan 8.190 nan 0.000 0.426 522 P HA 0.433 nan 4.420 nan 0.000 0.285 522 P C -0.501 176.865 177.300 0.110 0.000 1.269 522 P CA -0.475 62.674 63.100 0.082 0.000 0.844 522 P CB 0.868 32.609 31.700 0.069 0.000 1.094 523 N N -1.579 117.190 118.700 0.116 0.000 2.738 523 N HA -0.099 4.641 4.740 -0.000 0.000 0.249 523 N C 0.061 175.659 175.510 0.147 0.000 1.047 523 N CA 1.191 54.323 53.050 0.138 0.000 0.707 523 N CB -2.352 36.215 38.487 0.133 0.000 0.937 523 N HN 0.638 nan 8.380 nan 0.000 0.545 524 T N -3.524 111.112 114.554 0.137 0.000 2.824 524 T HA 0.655 5.005 4.350 -0.000 0.000 0.277 524 T C 0.759 175.524 174.700 0.108 0.000 0.975 524 T CA -0.579 61.594 62.100 0.121 0.000 0.966 524 T CB 1.843 70.778 68.868 0.112 0.000 1.054 524 T HN 0.072 nan 8.240 nan 0.000 0.533 525 S N -0.185 115.506 115.700 -0.015 0.000 2.718 525 S HA 0.724 5.194 4.470 -0.000 0.000 0.300 525 S C 0.416 174.761 174.600 -0.426 0.000 1.117 525 S CA -0.782 57.270 58.200 -0.247 0.000 1.002 525 S CB 1.050 64.052 63.200 -0.330 0.000 1.092 525 S HN 1.090 nan 8.310 nan 0.000 0.542 526 A N 0.970 123.247 122.820 -0.905 0.000 2.448 526 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 526 A C 0.282 177.784 177.584 -0.136 0.000 1.080 526 A CA -0.005 51.622 52.037 -0.683 0.000 0.779 526 A CB -0.284 18.404 19.000 -0.519 0.000 1.026 526 A HN 0.618 nan 8.150 nan 0.000 0.499 527 T N 1.598 116.109 114.554 -0.071 0.000 2.739 527 T HA 0.547 4.897 4.350 -0.000 0.000 0.298 527 T C 0.218 174.898 174.700 -0.034 0.000 0.929 527 T CA 0.948 63.040 62.100 -0.014 0.000 1.014 527 T CB -0.183 68.665 68.868 -0.034 0.000 0.914 527 T HN 1.280 nan 8.240 nan 0.000 0.509 528 A N 2.557 125.365 122.820 -0.020 0.000 2.493 528 A HA 0.837 5.157 4.320 -0.000 0.000 0.300 528 A C 0.413 177.700 177.584 -0.497 0.000 1.152 528 A CA -0.258 51.675 52.037 -0.173 0.000 0.643 528 A CB 0.063 19.015 19.000 -0.081 0.000 1.316 528 A HN 1.600 nan 8.150 nan 0.000 0.469 529 A N -0.716 121.788 122.820 -0.528 0.000 2.826 529 A HA 0.094 4.414 4.320 -0.000 0.000 0.274 529 A C 1.105 178.456 177.584 -0.388 0.000 1.443 529 A CA 1.775 53.451 52.037 -0.601 0.000 0.833 529 A CB -2.610 15.651 19.000 -1.232 0.000 1.023 529 A HN 2.552 nan 8.150 nan 0.000 0.600 530 S N -2.831 112.708 115.700 -0.268 0.000 3.473 530 S HA -0.282 4.188 4.470 -0.000 0.000 0.339 530 S C 0.836 175.330 174.600 -0.176 0.000 1.148 530 S CA 1.602 59.692 58.200 -0.183 0.000 0.969 530 S CB -2.479 60.625 63.200 -0.159 0.000 0.936 530 S HN 2.421 nan 8.310 nan 0.000 0.530 531 S N -0.660 114.891 115.700 -0.247 0.000 2.572 531 S HA 0.462 4.932 4.470 -0.000 0.000 0.228 531 S C 1.864 176.423 174.600 -0.068 0.000 0.963 531 S CA 0.187 58.292 58.200 -0.157 0.000 0.939 531 S CB 0.316 63.393 63.200 -0.206 0.000 0.804 531 S HN 0.760 nan 8.310 nan 0.000 0.480 532 G N 2.712 111.469 108.800 -0.071 0.000 2.545 532 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.217 532 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.217 532 G C 1.603 176.468 174.900 -0.058 0.000 1.218 532 G CA 0.999 46.074 45.100 -0.042 0.000 0.787 532 G HN 0.720 nan 8.290 nan 0.000 0.571 533 A N 0.774 123.554 122.820 -0.067 0.000 1.873 533 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 533 A C 2.104 179.635 177.584 -0.089 0.000 1.186 533 A CA 2.187 54.175 52.037 -0.082 0.000 0.616 533 A CB -0.589 18.378 19.000 -0.054 0.000 0.823 533 A HN 0.321 nan 8.150 nan 0.000 0.442 534 D N -0.264 120.104 120.400 -0.053 0.000 2.126 534 D HA -0.196 4.444 4.640 -0.000 0.000 0.190 534 D C 2.014 178.224 176.300 -0.151 0.000 1.001 534 D CA 1.989 55.953 54.000 -0.060 0.000 0.841 534 D CB -0.244 40.578 40.800 0.037 0.000 0.949 534 D HN 0.501 nan 8.370 nan 0.000 0.446 535 M N -0.591 118.959 119.600 -0.084 0.000 2.466 535 M HA 0.051 4.531 4.480 -0.000 0.000 0.265 535 M C 1.529 177.743 176.300 -0.143 0.000 1.122 535 M CA 0.434 55.685 55.300 -0.082 0.000 1.157 535 M CB 0.079 32.746 32.600 0.112 0.000 1.352 535 M HN -0.020 nan 8.290 nan 0.000 0.464 536 N N 0.753 119.381 118.700 -0.120 0.000 2.300 536 N HA -0.029 4.711 4.740 -0.000 0.000 0.179 536 N C 1.861 177.251 175.510 -0.200 0.000 1.016 536 N CA 1.274 54.244 53.050 -0.133 0.000 0.876 536 N CB -0.167 38.220 38.487 -0.167 0.000 0.979 536 N HN 0.376 nan 8.380 nan 0.000 0.432 537 G N 2.296 110.968 108.800 -0.215 0.000 2.491 537 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 537 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 537 G C 1.553 176.302 174.900 -0.251 0.000 1.180 537 G CA 0.744 45.726 45.100 -0.195 0.000 0.774 537 G HN 0.145 nan 8.290 nan 0.000 0.562 538 M N 1.049 120.404 119.600 -0.409 0.000 2.159 538 M HA 0.042 4.522 4.480 -0.000 0.000 0.263 538 M C 3.025 179.180 176.300 -0.243 0.000 1.063 538 M CA 1.313 56.317 55.300 -0.494 0.000 1.110 538 M CB -1.267 30.653 32.600 -1.132 0.000 1.374 538 M HN 0.334 nan 8.290 nan 0.000 0.411 539 A N 0.011 122.736 122.820 -0.158 0.000 1.902 539 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 539 A C 2.474 180.048 177.584 -0.017 0.000 1.181 539 A CA 1.593 53.615 52.037 -0.025 0.000 0.623 539 A CB -0.973 18.039 19.000 0.020 0.000 0.818 539 A HN 0.279 nan 8.150 nan 0.000 0.443 540 V N 0.653 120.537 119.914 -0.051 0.000 2.287 540 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 540 V C 2.624 178.701 176.094 -0.029 0.000 1.053 540 V CA 2.592 64.875 62.300 -0.028 0.000 1.027 540 V CB -0.687 31.105 31.823 -0.051 0.000 0.646 540 V HN 0.827 nan 8.190 nan 0.000 0.447 541 K N 0.497 120.859 120.400 -0.063 0.000 2.097 541 K HA -0.259 4.061 4.320 -0.000 0.000 0.206 541 K C 1.843 178.418 176.600 -0.042 0.000 1.049 541 K CA 2.196 58.446 56.287 -0.061 0.000 0.933 541 K CB -0.449 31.969 32.500 -0.136 0.000 0.717 541 K HN 0.463 nan 8.250 nan 0.000 0.442 542 D N 0.076 120.458 120.400 -0.030 0.000 2.149 542 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 542 D C 1.668 177.980 176.300 0.020 0.000 0.990 542 D CA 1.561 55.568 54.000 0.012 0.000 0.839 542 D CB -0.066 40.770 40.800 0.060 0.000 0.948 542 D HN 0.400 nan 8.370 nan 0.000 0.460 543 A N -0.747 122.085 122.820 0.019 0.000 1.903 543 A HA -0.041 4.279 4.320 -0.000 0.000 0.213 543 A C 2.503 180.086 177.584 -0.003 0.000 1.185 543 A CA 0.986 53.034 52.037 0.018 0.000 0.628 543 A CB -0.749 18.267 19.000 0.027 0.000 0.830 543 A HN 0.456 nan 8.150 nan 0.000 0.446 544 C N -0.423 118.871 119.300 -0.011 0.000 2.432 544 C HA -0.030 4.430 4.460 -0.000 0.000 0.280 544 C C 2.522 177.490 174.990 -0.037 0.000 1.353 544 C CA 1.099 60.102 59.018 -0.025 0.000 1.766 544 C CB -1.187 26.537 27.740 -0.026 0.000 1.924 544 C HN 0.667 nan 8.230 nan 0.000 0.509 545 E N 0.037 120.221 120.200 -0.025 0.000 2.152 545 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 545 E C 2.114 178.702 176.600 -0.019 0.000 0.983 545 E CA 1.129 57.514 56.400 -0.025 0.000 0.818 545 E CB -0.027 29.664 29.700 -0.014 0.000 0.758 545 E HN 0.564 nan 8.360 nan 0.000 0.467 546 T N 1.224 115.772 114.554 -0.009 0.000 2.708 546 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 546 T C 1.858 176.549 174.700 -0.015 0.000 1.037 546 T CA 0.800 62.898 62.100 -0.003 0.000 1.146 546 T CB -0.138 68.733 68.868 0.005 0.000 0.865 546 T HN 0.080 nan 8.240 nan 0.000 0.435 547 L N 0.554 121.761 121.223 -0.027 0.000 1.961 547 L HA -0.091 4.248 4.340 -0.000 0.000 0.210 547 L C 2.920 179.754 176.870 -0.059 0.000 1.072 547 L CA 1.470 56.288 54.840 -0.037 0.000 0.749 547 L CB -0.564 41.475 42.059 -0.033 0.000 0.889 547 L HN 0.123 nan 8.230 nan 0.000 0.432 548 R N 0.394 120.828 120.500 -0.110 0.000 2.154 548 R HA -0.186 4.154 4.340 -0.000 0.000 0.248 548 R C 2.053 178.305 176.300 -0.080 0.000 1.155 548 R CA 1.615 57.580 56.100 -0.225 0.000 0.979 548 R CB -0.479 29.641 30.300 -0.301 0.000 0.869 548 R HN 0.493 nan 8.270 nan 0.000 0.452 549 G N 0.007 108.795 108.800 -0.021 0.000 2.403 549 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 549 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 549 G C 1.545 176.478 174.900 0.054 0.000 1.154 549 G CA 0.217 45.336 45.100 0.031 0.000 0.784 549 G HN 0.298 nan 8.290 nan 0.000 0.538 550 R N -0.393 120.126 120.500 0.031 0.000 2.075 550 R HA 0.132 4.472 4.340 -0.000 0.000 0.232 550 R C 2.624 178.982 176.300 0.098 0.000 1.126 550 R CA 0.768 56.895 56.100 0.045 0.000 0.963 550 R CB -0.364 29.939 30.300 0.006 0.000 0.858 550 R HN 0.317 nan 8.270 nan 0.000 0.435 551 L N -0.055 121.223 121.223 0.092 0.000 2.046 551 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 551 L C 2.656 179.713 176.870 0.311 0.000 1.077 551 L CA 1.272 56.236 54.840 0.206 0.000 0.747 551 L CB -0.620 41.562 42.059 0.206 0.000 0.896 551 L HN 0.264 nan 8.230 nan 0.000 0.432 552 A N 0.510 123.503 122.820 0.288 0.000 1.883 552 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 552 A C 2.424 180.098 177.584 0.150 0.000 1.186 552 A CA 1.892 54.093 52.037 0.273 0.000 0.624 552 A CB -1.344 17.804 19.000 0.247 0.000 0.822 552 A HN 0.449 nan 8.150 nan 0.000 0.444 553 G N -1.344 107.539 108.800 0.139 0.000 2.422 553 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 553 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 553 G C 1.465 176.424 174.900 0.098 0.000 1.146 553 G CA 1.223 46.381 45.100 0.097 0.000 0.769 553 G HN 0.589 nan 8.290 nan 0.000 0.547 554 F N 0.991 120.939 119.950 -0.002 0.000 2.163 554 F HA 0.077 4.604 4.527 0.000 0.000 0.297 554 F C 2.469 178.229 175.800 -0.066 0.000 1.094 554 F CA 0.950 58.928 58.000 -0.036 0.000 1.290 554 F CB -0.184 38.787 39.000 -0.048 0.000 1.017 554 F HN -0.020 nan 8.300 nan 0.000 0.483 555 V N 0.634 120.371 119.914 -0.295 0.000 2.626 555 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 555 V C 2.637 178.543 176.094 -0.313 0.000 1.067 555 V CA 1.639 63.655 62.300 -0.473 0.000 1.081 555 V CB -1.122 30.539 31.823 -0.270 0.000 0.686 555 V HN 0.511 nan 8.190 nan 0.000 0.468 556 A N -0.469 122.257 122.820 -0.156 0.000 2.016 556 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 556 A C 2.348 179.870 177.584 -0.104 0.000 1.162 556 A CA 1.397 53.381 52.037 -0.088 0.000 0.662 556 A CB -0.421 18.565 19.000 -0.023 0.000 0.812 556 A HN 0.515 nan 8.150 nan 0.000 0.450 557 A N -0.347 122.393 122.820 -0.135 0.000 1.929 557 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 557 A C 2.267 179.760 177.584 -0.151 0.000 1.176 557 A CA 1.393 53.365 52.037 -0.107 0.000 0.628 557 A CB -0.427 18.527 19.000 -0.077 0.000 0.816 557 A HN 0.440 nan 8.150 nan 0.000 0.444 558 R N -0.039 120.292 120.500 -0.282 0.000 2.057 558 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 558 R C 0.686 176.895 176.300 -0.152 0.000 1.136 558 R CA 1.413 57.343 56.100 -0.282 0.000 0.952 558 R CB -0.167 29.804 30.300 -0.548 0.000 0.848 558 R HN 0.439 nan 8.270 nan 0.000 0.430 559 E N 0.175 120.296 120.200 -0.131 0.000 2.359 559 E HA 0.072 4.422 4.350 -0.000 0.000 0.187 559 E C 0.076 176.664 176.600 -0.020 0.000 1.081 559 E CA 0.340 56.725 56.400 -0.026 0.000 0.929 559 E CB 0.105 29.840 29.700 0.059 0.000 1.086 559 E HN 0.527 nan 8.360 nan 0.000 0.462 560 G N 2.259 111.036 108.800 -0.040 0.000 2.195 560 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 560 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 560 G C 0.423 175.316 174.900 -0.012 0.000 0.817 560 G CA 0.692 45.778 45.100 -0.024 0.000 1.235 560 G HN 0.488 nan 8.290 nan 0.000 0.358 561 C N -0.649 118.643 119.300 -0.012 0.000 3.230 561 C HA 0.988 5.448 4.460 -0.000 0.000 0.376 561 C C 0.494 175.485 174.990 0.002 0.000 1.956 561 C CA -0.244 58.773 59.018 -0.001 0.000 1.141 561 C CB 1.345 29.089 27.740 0.007 0.000 2.302 561 C HN 2.162 nan 8.230 nan 0.000 0.422 562 A N 0.165 122.991 122.820 0.011 0.000 2.306 562 A HA 0.811 5.131 4.320 -0.000 0.000 0.330 562 A C 1.100 178.701 177.584 0.027 0.000 1.146 562 A CA 0.224 52.272 52.037 0.017 0.000 0.827 562 A CB 0.888 19.899 19.000 0.019 0.000 1.178 562 A HN 2.363 nan 8.150 nan 0.000 0.490 563 A N 1.210 124.052 122.820 0.037 0.000 1.902 563 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 563 A C 2.008 179.639 177.584 0.078 0.000 1.181 563 A CA 1.696 53.769 52.037 0.060 0.000 0.623 563 A CB -0.532 18.508 19.000 0.066 0.000 0.818 563 A HN 0.969 nan 8.150 nan 0.000 0.443 564 R N -0.651 119.887 120.500 0.064 0.000 2.293 564 R HA -0.085 4.254 4.340 -0.000 0.000 0.219 564 R C -0.079 176.260 176.300 0.064 0.000 1.091 564 R CA 1.580 57.721 56.100 0.067 0.000 1.004 564 R CB -0.401 29.930 30.300 0.051 0.000 0.865 564 R HN 0.271 nan 8.270 nan 0.000 0.469 565 D N 0.880 121.311 120.400 0.052 0.000 2.340 565 D HA 0.098 4.738 4.640 -0.000 0.000 0.217 565 D C -0.254 176.068 176.300 0.037 0.000 1.081 565 D CA 0.101 54.126 54.000 0.041 0.000 0.842 565 D CB 0.724 41.541 40.800 0.028 0.000 0.934 565 D HN 0.003 nan 8.370 nan 0.000 0.511 566 V N 1.874 121.818 119.914 0.051 0.000 2.498 566 V HA 0.281 4.401 4.120 -0.000 0.000 0.279 566 V C 0.463 176.545 176.094 -0.020 0.000 1.048 566 V CA -0.419 61.879 62.300 -0.003 0.000 0.967 566 V CB 1.635 33.464 31.823 0.009 0.000 0.988 566 V HN -0.077 nan 8.190 nan 0.000 0.473 567 I N 5.051 125.542 120.570 -0.131 0.000 2.406 567 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 567 I C -0.983 175.013 176.117 -0.202 0.000 0.999 567 I CA -0.183 61.086 61.300 -0.051 0.000 1.124 567 I CB 1.576 39.576 38.000 -0.000 0.000 1.289 567 I HN 0.405 nan 8.210 nan 0.000 0.441 568 F N 4.275 124.289 119.950 0.107 0.000 2.388 568 F HA 0.472 4.999 4.527 -0.000 0.000 0.358 568 F C -0.078 175.763 175.800 0.067 0.000 1.122 568 F CA -0.563 57.508 58.000 0.119 0.000 1.056 568 F CB 1.127 40.208 39.000 0.134 0.000 1.155 568 F HN 0.384 nan 8.300 nan 0.000 0.461 569 D N 1.345 121.853 120.400 0.180 0.000 2.837 569 D HA 0.546 5.186 4.640 -0.000 0.000 0.220 569 D C -0.346 175.996 176.300 0.071 0.000 1.236 569 D CA -0.221 53.841 54.000 0.104 0.000 0.838 569 D CB 1.739 42.580 40.800 0.068 0.000 1.647 569 D HN 0.713 nan 8.370 nan 0.000 0.486 570 A N 2.499 125.339 122.820 0.034 0.000 2.783 570 A HA 0.141 4.461 4.320 -0.000 0.000 0.292 570 A C 1.552 179.155 177.584 0.032 0.000 1.495 570 A CA 1.931 53.979 52.037 0.017 0.000 0.787 570 A CB -2.229 16.783 19.000 0.019 0.000 1.017 570 A HN 1.976 nan 8.150 nan 0.000 0.516 571 G N -2.772 106.047 108.800 0.032 0.000 2.162 571 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 571 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 571 G C -0.064 174.937 174.900 0.168 0.000 0.976 571 G CA 1.009 46.150 45.100 0.068 0.000 0.655 571 G HN 1.498 nan 8.290 nan 0.000 0.533 572 Q N -0.760 119.135 119.800 0.158 0.000 2.399 572 Q HA 0.714 5.054 4.340 -0.000 0.000 0.276 572 Q C -0.677 175.419 176.000 0.160 0.000 1.098 572 Q CA -0.845 55.062 55.803 0.173 0.000 0.827 572 Q CB 2.973 31.773 28.738 0.103 0.000 1.386 572 Q HN 0.236 nan 8.270 nan 0.000 0.443 573 V N 1.171 121.177 119.914 0.153 0.000 2.604 573 V HA 0.424 4.544 4.120 -0.000 0.000 0.305 573 V C -0.714 175.447 176.094 0.112 0.000 1.043 573 V CA -0.599 61.672 62.300 -0.049 0.000 0.888 573 V CB 1.947 33.717 31.823 -0.089 0.000 0.995 573 V HN 0.683 nan 8.190 nan 0.000 0.429 574 Q N 1.839 121.638 119.800 -0.002 0.000 2.331 574 Q HA 0.838 5.178 4.340 -0.000 0.000 0.272 574 Q C -1.122 174.920 176.000 0.070 0.000 1.062 574 Q CA -0.407 55.433 55.803 0.060 0.000 0.806 574 Q CB 2.530 31.263 28.738 -0.007 0.000 1.312 574 Q HN 1.051 nan 8.270 nan 0.000 0.431 575 A N 0.926 123.823 122.820 0.128 0.000 2.605 575 A HA 0.569 4.889 4.320 -0.000 0.000 0.294 575 A C -0.477 177.148 177.584 0.068 0.000 1.062 575 A CA -0.300 51.800 52.037 0.104 0.000 0.682 575 A CB 1.287 20.373 19.000 0.144 0.000 1.278 575 A HN 0.809 nan 8.150 nan 0.000 0.410 576 S N 0.162 115.882 115.700 0.034 0.000 3.425 576 S HA -0.063 4.407 4.470 -0.000 0.000 0.377 576 S C 1.773 176.356 174.600 -0.029 0.000 0.989 576 S CA 2.020 60.225 58.200 0.010 0.000 1.183 576 S CB -1.587 61.630 63.200 0.029 0.000 0.908 576 S HN 2.835 nan 8.310 nan 0.000 0.472 577 G N -0.576 108.196 108.800 -0.047 0.000 2.284 577 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 577 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 577 G C -0.033 174.773 174.900 -0.157 0.000 0.997 577 G CA 0.970 46.021 45.100 -0.083 0.000 0.621 577 G HN 0.714 nan 8.290 nan 0.000 0.534 578 K N 0.425 120.684 120.400 -0.235 0.000 2.123 578 K HA 0.712 5.032 4.320 -0.000 0.000 0.248 578 K C 0.210 176.411 176.600 -0.665 0.000 0.969 578 K CA 0.029 56.012 56.287 -0.506 0.000 0.882 578 K CB 1.979 34.041 32.500 -0.730 0.000 1.080 578 K HN 0.476 nan 8.250 nan 0.000 0.441 579 S N 0.793 116.029 115.700 -0.773 0.000 2.570 579 S HA 0.662 5.132 4.470 -0.000 0.000 0.286 579 S C -1.382 172.908 174.600 -0.517 0.000 1.099 579 S CA -0.825 57.086 58.200 -0.482 0.000 0.913 579 S CB 0.978 64.056 63.200 -0.203 0.000 1.085 579 S HN 0.622 nan 8.310 nan 0.000 0.480 580 W N 0.789 122.082 121.300 -0.012 0.000 3.062 580 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 580 W C -0.037 176.509 176.519 0.044 0.000 1.224 580 W CA -1.021 56.333 57.345 0.014 0.000 1.159 580 W CB 1.897 31.366 29.460 0.013 0.000 1.454 580 W HN 0.609 nan 8.180 nan 0.000 0.569 581 R N 0.781 121.475 120.500 0.324 0.000 2.539 581 R HA 0.095 4.435 4.340 -0.000 0.000 0.275 581 R C 1.184 177.659 176.300 0.292 0.000 1.077 581 R CA -0.340 55.914 56.100 0.257 0.000 1.097 581 R CB 0.557 30.974 30.300 0.196 0.000 1.018 581 R HN 0.413 nan 8.270 nan 0.000 0.483 582 F N 2.692 122.733 119.950 0.152 0.000 2.087 582 F HA -0.312 4.215 4.527 -0.000 0.000 0.299 582 F C 2.071 177.945 175.800 0.123 0.000 1.100 582 F CA 2.247 60.345 58.000 0.163 0.000 1.226 582 F CB -0.316 38.777 39.000 0.155 0.000 0.983 582 F HN 0.708 nan 8.300 nan 0.000 0.479 583 A N -0.006 122.941 122.820 0.210 0.000 1.917 583 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 583 A C 2.080 179.659 177.584 -0.009 0.000 1.182 583 A CA 2.134 54.209 52.037 0.064 0.000 0.633 583 A CB -1.004 18.065 19.000 0.115 0.000 0.819 583 A HN 0.606 nan 8.150 nan 0.000 0.448 584 E N -0.449 119.779 120.200 0.047 0.000 2.153 584 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 584 E C 1.783 178.341 176.600 -0.070 0.000 0.988 584 E CA 0.937 57.354 56.400 0.027 0.000 0.811 584 E CB -0.188 29.582 29.700 0.117 0.000 0.746 584 E HN 0.581 nan 8.360 nan 0.000 0.466 585 I N 0.592 121.084 120.570 -0.130 0.000 2.353 585 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 585 I C 2.343 178.348 176.117 -0.186 0.000 1.119 585 I CA 0.839 62.037 61.300 -0.169 0.000 1.417 585 I CB -0.745 37.159 38.000 -0.160 0.000 1.078 585 I HN 0.026 nan 8.210 nan 0.000 0.421 586 V N 1.434 121.169 119.914 -0.299 0.000 2.407 586 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 586 V C 2.812 178.810 176.094 -0.160 0.000 1.055 586 V CA 1.784 63.897 62.300 -0.310 0.000 1.049 586 V CB -0.808 30.783 31.823 -0.387 0.000 0.662 586 V HN 0.439 nan 8.190 nan 0.000 0.455 587 A N -0.100 122.670 122.820 -0.082 0.000 1.877 587 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 587 A C 2.410 179.990 177.584 -0.006 0.000 1.186 587 A CA 2.076 54.121 52.037 0.013 0.000 0.620 587 A CB -0.831 18.188 19.000 0.032 0.000 0.822 587 A HN 0.579 nan 8.150 nan 0.000 0.443 588 A N -0.336 122.457 122.820 -0.045 0.000 1.972 588 A HA 0.199 4.518 4.320 -0.000 0.000 0.219 588 A C 2.439 179.819 177.584 -0.340 0.000 1.169 588 A CA 1.934 53.952 52.037 -0.031 0.000 0.635 588 A CB -0.849 18.234 19.000 0.138 0.000 0.810 588 A HN 1.013 nan 8.150 nan 0.000 0.446 589 A N -1.238 121.228 122.820 -0.590 0.000 1.898 589 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 589 A C 2.101 179.433 177.584 -0.420 0.000 1.181 589 A CA 1.599 53.050 52.037 -0.976 0.000 0.620 589 A CB -0.808 17.771 19.000 -0.700 0.000 0.819 589 A HN 0.699 nan 8.150 nan 0.000 0.442 590 Y N 0.697 120.799 120.300 -0.330 0.000 2.081 590 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 590 Y C 2.295 178.091 175.900 -0.173 0.000 1.163 590 Y CA 2.157 60.133 58.100 -0.207 0.000 1.135 590 Y CB -0.473 37.905 38.460 -0.137 0.000 0.970 590 Y HN 0.244 nan 8.280 nan 0.000 0.498 591 M N 0.153 119.548 119.600 -0.342 0.000 2.149 591 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 591 M C 2.216 178.333 176.300 -0.304 0.000 1.064 591 M CA 1.746 56.805 55.300 -0.401 0.000 1.102 591 M CB -1.912 30.578 32.600 -0.183 0.000 1.369 591 M HN 0.468 nan 8.290 nan 0.000 0.408 592 A N -0.238 122.420 122.820 -0.270 0.000 2.238 592 A HA 0.078 4.398 4.320 -0.000 0.000 0.208 592 A C 0.618 178.092 177.584 -0.184 0.000 1.177 592 A CA -0.045 51.885 52.037 -0.178 0.000 0.804 592 A CB -0.430 18.500 19.000 -0.117 0.000 0.823 592 A HN 0.578 nan 8.150 nan 0.000 0.482 593 R N -1.531 118.831 120.500 -0.230 0.000 3.125 593 R HA -0.116 4.224 4.340 -0.000 0.000 0.258 593 R C -1.202 175.029 176.300 -0.114 0.000 0.968 593 R CA 0.638 56.649 56.100 -0.149 0.000 0.656 593 R CB -2.119 28.114 30.300 -0.112 0.000 1.251 593 R HN 0.531 nan 8.270 nan 0.000 0.428 594 I N 0.393 120.879 120.570 -0.140 0.000 2.436 594 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 594 I C 0.655 176.723 176.117 -0.081 0.000 1.010 594 I CA -0.567 60.658 61.300 -0.125 0.000 1.098 594 I CB 2.032 39.898 38.000 -0.222 0.000 1.266 594 I HN 0.187 nan 8.210 nan 0.000 0.434 595 S N 6.550 122.218 115.700 -0.053 0.000 2.537 595 S HA 0.274 4.744 4.470 -0.000 0.000 0.286 595 S C 0.145 174.709 174.600 -0.060 0.000 1.299 595 S CA -0.055 58.120 58.200 -0.042 0.000 1.067 595 S CB 0.196 63.377 63.200 -0.032 0.000 0.864 595 S HN 0.521 nan 8.310 nan 0.000 0.494 596 L N 4.460 125.640 121.223 -0.072 0.000 3.141 596 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 596 L C 0.241 177.043 176.870 -0.114 0.000 1.312 596 L CA -0.272 54.510 54.840 -0.097 0.000 1.012 596 L CB 0.456 42.441 42.059 -0.124 0.000 1.408 596 L HN 0.561 nan 8.230 nan 0.000 0.559 597 S N 0.668 116.318 115.700 -0.084 0.000 2.575 597 S HA 0.879 5.349 4.470 -0.000 0.000 0.278 597 S C -1.000 173.570 174.600 -0.049 0.000 1.139 597 S CA -0.290 57.861 58.200 -0.083 0.000 0.954 597 S CB 1.716 64.870 63.200 -0.077 0.000 1.054 597 S HN 0.253 nan 8.310 nan 0.000 0.483 598 A N 2.786 125.583 122.820 -0.038 0.000 2.520 598 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 598 A C -0.161 177.425 177.584 0.003 0.000 1.051 598 A CA -0.656 51.373 52.037 -0.014 0.000 0.690 598 A CB 1.373 20.367 19.000 -0.011 0.000 1.281 598 A HN 0.980 nan 8.150 nan 0.000 0.402 599 T N -0.497 114.068 114.554 0.019 0.000 2.934 599 T HA 0.812 5.161 4.350 -0.000 0.000 0.283 599 T C 0.336 175.079 174.700 0.071 0.000 1.005 599 T CA -0.071 62.057 62.100 0.047 0.000 1.041 599 T CB 1.770 70.668 68.868 0.050 0.000 1.042 599 T HN 1.651 nan 8.240 nan 0.000 0.505 600 G N -0.082 108.784 108.800 0.110 0.000 2.605 600 G HA2 0.690 4.650 3.960 -0.000 0.000 0.296 600 G HA3 0.690 4.650 3.960 -0.000 0.000 0.296 600 G C -2.099 172.967 174.900 0.276 0.000 1.304 600 G CA -0.893 44.296 45.100 0.149 0.000 0.941 600 G HN 0.738 nan 8.290 nan 0.000 0.475 601 F N 0.258 120.251 119.950 0.071 0.000 2.619 601 F HA 0.732 5.259 4.527 -0.000 0.000 0.308 601 F C -1.923 173.977 175.800 0.167 0.000 1.097 601 F CA -1.236 56.822 58.000 0.096 0.000 0.953 601 F CB 2.330 41.367 39.000 0.061 0.000 1.287 601 F HN 0.608 nan 8.300 nan 0.000 0.446 602 Y N 3.402 123.171 120.300 -0.884 0.000 2.482 602 Y HA 0.736 5.286 4.550 -0.000 0.000 0.334 602 Y C -1.889 173.584 175.900 -0.711 0.000 1.091 602 Y CA -0.808 56.951 58.100 -0.569 0.000 1.027 602 Y CB 1.819 40.112 38.460 -0.277 0.000 1.306 602 Y HN 0.876 nan 8.280 nan 0.000 0.446 603 A N 4.270 126.431 122.820 -1.098 0.000 2.323 603 A HA 0.525 4.845 4.320 -0.000 0.000 0.305 603 A C -0.576 176.458 177.584 -0.917 0.000 1.275 603 A CA -0.663 50.933 52.037 -0.735 0.000 0.804 603 A CB 0.256 19.081 19.000 -0.292 0.000 1.152 603 A HN 0.735 nan 8.150 nan 0.000 0.487 604 T N 5.606 119.766 114.554 -0.658 0.000 2.905 604 T HA 0.276 4.626 4.350 -0.000 0.000 0.299 604 T C -1.769 172.806 174.700 -0.208 0.000 1.024 604 T CA 0.158 62.052 62.100 -0.344 0.000 1.151 604 T CB -0.016 68.841 68.868 -0.019 0.000 0.987 604 T HN 0.631 nan 8.240 nan 0.000 0.535 605 P HA 0.351 nan 4.420 nan 0.000 0.284 605 P C -0.078 177.212 177.300 -0.017 0.000 1.292 605 P CA -0.718 62.343 63.100 -0.066 0.000 0.800 605 P CB 0.622 32.298 31.700 -0.040 0.000 1.188 606 K N -2.259 118.138 120.400 -0.006 0.000 3.426 606 K HA -0.164 4.156 4.320 -0.000 0.000 0.315 606 K C -0.052 176.549 176.600 0.003 0.000 1.293 606 K CA 0.673 56.963 56.287 0.006 0.000 0.955 606 K CB -2.116 30.393 32.500 0.014 0.000 1.238 606 K HN 0.370 nan 8.250 nan 0.000 0.441 607 L N 1.030 122.252 121.223 -0.002 0.000 2.292 607 L HA 0.424 4.764 4.340 -0.000 0.000 0.284 607 L C 0.256 177.146 176.870 0.034 0.000 1.065 607 L CA -0.458 54.378 54.840 -0.007 0.000 0.806 607 L CB 1.721 43.769 42.059 -0.018 0.000 1.175 607 L HN 0.092 nan 8.230 nan 0.000 0.431 608 S N 3.700 119.436 115.700 0.060 0.000 2.582 608 S HA 0.656 5.126 4.470 -0.000 0.000 0.287 608 S C -1.953 172.784 174.600 0.227 0.000 1.146 608 S CA -0.681 57.592 58.200 0.122 0.000 0.941 608 S CB 1.042 64.285 63.200 0.071 0.000 1.115 608 S HN 0.665 nan 8.310 nan 0.000 0.458 609 W N 3.434 124.689 121.300 -0.076 0.000 2.989 609 W HA 0.618 5.278 4.660 -0.000 0.000 0.344 609 W C -2.501 173.965 176.519 -0.089 0.000 1.233 609 W CA -0.794 56.492 57.345 -0.099 0.000 1.187 609 W CB 0.362 29.729 29.460 -0.156 0.000 1.443 609 W HN 0.609 nan 8.180 nan 0.000 0.573 610 D N 2.260 122.407 120.400 -0.422 0.000 2.462 610 D HA 0.304 4.944 4.640 -0.000 0.000 0.245 610 D C 1.238 176.988 176.300 -0.916 0.000 1.122 610 D CA -0.352 53.285 54.000 -0.606 0.000 0.864 610 D CB 1.570 42.196 40.800 -0.290 0.000 1.098 610 D HN 0.491 nan 8.370 nan 0.000 0.541 611 R N 2.729 122.470 120.500 -1.264 0.000 2.136 611 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 611 R C 1.780 177.908 176.300 -0.288 0.000 1.131 611 R CA 1.569 57.101 56.100 -0.945 0.000 0.937 611 R CB -0.129 29.855 30.300 -0.526 0.000 0.863 611 R HN 0.523 nan 8.270 nan 0.000 0.435 612 L N -0.340 120.770 121.223 -0.190 0.000 2.012 612 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 612 L C 2.671 179.534 176.870 -0.013 0.000 1.073 612 L CA 1.542 56.375 54.840 -0.011 0.000 0.748 612 L CB -0.398 41.639 42.059 -0.036 0.000 0.891 612 L HN 0.234 nan 8.230 nan 0.000 0.431 613 R N -0.188 120.212 120.500 -0.167 0.000 2.193 613 R HA 0.049 4.389 4.340 -0.000 0.000 0.213 613 R C 1.090 177.146 176.300 -0.406 0.000 1.055 613 R CA 0.648 56.645 56.100 -0.171 0.000 0.995 613 R CB -0.072 30.146 30.300 -0.136 0.000 0.893 613 R HN 0.488 nan 8.270 nan 0.000 0.459 614 G N 1.564 109.935 108.800 -0.715 0.000 2.256 614 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.272 614 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.272 614 G C -0.400 174.168 174.900 -0.552 0.000 1.076 614 G CA -0.081 44.181 45.100 -1.397 0.000 0.882 614 G HN 0.176 nan 8.290 nan 0.000 0.497 615 Q N -0.923 118.732 119.800 -0.241 0.000 2.331 615 Q HA 0.736 5.076 4.340 -0.000 0.000 0.272 615 Q C 0.441 176.515 176.000 0.124 0.000 1.062 615 Q CA 0.312 56.102 55.803 -0.023 0.000 0.806 615 Q CB 2.188 30.897 28.738 -0.047 0.000 1.312 615 Q HN 1.575 nan 8.270 nan 0.000 0.431 616 G N 1.423 110.331 108.800 0.180 0.000 2.291 616 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.249 616 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.249 616 G C -1.457 173.534 174.900 0.152 0.000 1.340 616 G CA -0.865 44.345 45.100 0.183 0.000 1.017 616 G HN 0.308 nan 8.290 nan 0.000 0.470 617 R N 1.812 122.364 120.500 0.087 0.000 2.402 617 R HA 0.391 4.731 4.340 -0.000 0.000 0.290 617 R C -1.878 174.286 176.300 -0.227 0.000 1.321 617 R CA -1.594 54.493 56.100 -0.020 0.000 1.283 617 R CB 1.703 32.004 30.300 0.001 0.000 1.111 617 R HN 0.352 nan 8.270 nan 0.000 0.578 618 P HA 0.006 nan 4.420 nan 0.000 0.240 618 P C -0.330 176.373 177.300 -0.995 0.000 1.190 618 P CA 0.456 62.864 63.100 -1.153 0.000 0.781 618 P CB 0.330 30.671 31.700 -2.265 0.000 0.931 619 F N -0.660 119.086 119.950 -0.339 0.000 2.495 619 F HA 0.234 4.761 4.527 -0.000 0.000 0.327 619 F C 1.542 177.143 175.800 -0.331 0.000 1.103 619 F CA -1.247 56.509 58.000 -0.406 0.000 0.949 619 F CB 1.691 40.306 39.000 -0.642 0.000 1.142 619 F HN -0.321 nan 8.300 nan 0.000 0.457 620 L N 3.781 124.968 121.223 -0.060 0.000 2.027 620 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 620 L C -0.233 176.667 176.870 0.049 0.000 1.074 620 L CA 1.801 56.660 54.840 0.032 0.000 0.745 620 L CB -0.486 41.685 42.059 0.186 0.000 0.898 620 L HN 0.671 nan 8.230 nan 0.000 0.433 621 Y N -4.914 115.234 120.300 -0.253 0.000 2.853 621 Y HA 0.557 5.107 4.550 0.000 0.000 0.326 621 Y C -1.431 174.138 175.900 -0.552 0.000 1.384 621 Y CA -2.412 55.507 58.100 -0.302 0.000 1.077 621 Y CB 0.338 38.746 38.460 -0.087 0.000 1.395 621 Y HN -0.204 nan 8.280 nan 0.000 0.451 622 F N 1.152 121.140 119.950 0.064 0.000 2.551 622 F HA 0.845 5.372 4.527 -0.000 0.000 0.316 622 F C 0.176 175.867 175.800 -0.181 0.000 1.089 622 F CA -0.866 56.975 58.000 -0.264 0.000 0.915 622 F CB 2.335 41.066 39.000 -0.448 0.000 1.186 622 F HN 0.841 nan 8.300 nan 0.000 0.456 623 A N 2.557 125.334 122.820 -0.073 0.000 2.282 623 A HA 0.837 5.157 4.320 -0.000 0.000 0.319 623 A C -1.789 175.606 177.584 -0.315 0.000 1.121 623 A CA -0.336 51.691 52.037 -0.017 0.000 0.836 623 A CB 0.659 19.701 19.000 0.070 0.000 1.146 623 A HN 0.736 nan 8.150 nan 0.000 0.494 624 Y N -0.983 119.219 120.300 -0.163 0.000 2.615 624 Y HA 0.694 5.244 4.550 0.000 0.000 0.341 624 Y C 0.645 176.271 175.900 -0.456 0.000 1.089 624 Y CA 0.147 58.096 58.100 -0.251 0.000 1.049 624 Y CB 2.588 40.862 38.460 -0.309 0.000 1.296 624 Y HN 1.197 nan 8.280 nan 0.000 0.470 625 G N -0.213 108.534 108.800 -0.089 0.000 2.342 625 G HA2 0.696 4.656 3.960 -0.000 0.000 0.297 625 G HA3 0.696 4.656 3.960 -0.000 0.000 0.297 625 G C -2.192 172.710 174.900 0.003 0.000 1.313 625 G CA -0.153 44.914 45.100 -0.055 0.000 0.830 625 G HN 1.096 nan 8.290 nan 0.000 0.506 626 A N -1.562 121.282 122.820 0.040 0.000 2.605 626 A HA 1.050 5.370 4.320 -0.000 0.000 0.294 626 A C -0.621 176.983 177.584 0.034 0.000 1.062 626 A CA 0.385 52.434 52.037 0.020 0.000 0.682 626 A CB 1.170 20.143 19.000 -0.046 0.000 1.278 626 A HN 2.558 nan 8.150 nan 0.000 0.410 627 A N 0.666 123.505 122.820 0.032 0.000 2.475 627 A HA 0.849 5.169 4.320 -0.000 0.000 0.301 627 A C -1.163 176.404 177.584 -0.029 0.000 1.059 627 A CA -0.371 51.672 52.037 0.011 0.000 0.710 627 A CB 0.973 20.016 19.000 0.072 0.000 1.288 627 A HN 0.918 nan 8.150 nan 0.000 0.408 628 I N 1.403 121.933 120.570 -0.066 0.000 2.466 628 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 628 I C -0.415 175.689 176.117 -0.021 0.000 1.026 628 I CA -0.145 61.104 61.300 -0.086 0.000 1.078 628 I CB 2.574 40.459 38.000 -0.192 0.000 1.249 628 I HN 0.612 nan 8.210 nan 0.000 0.429 629 T N 4.844 119.417 114.554 0.033 0.000 2.863 629 T HA 0.349 4.698 4.350 -0.000 0.000 0.285 629 T C -0.833 173.895 174.700 0.047 0.000 1.009 629 T CA -0.634 61.493 62.100 0.044 0.000 0.989 629 T CB 2.056 70.993 68.868 0.114 0.000 1.004 629 T HN 0.543 nan 8.240 nan 0.000 0.455 630 E N 2.208 122.417 120.200 0.015 0.000 2.176 630 E HA 0.623 4.973 4.350 -0.000 0.000 0.267 630 E C -0.812 175.766 176.600 -0.036 0.000 0.893 630 E CA -0.780 55.616 56.400 -0.006 0.000 0.761 630 E CB 1.144 30.830 29.700 -0.024 0.000 1.133 630 E HN 0.508 nan 8.360 nan 0.000 0.409 631 V N 0.834 120.721 119.914 -0.045 0.000 3.158 631 V HA 0.802 4.922 4.120 -0.000 0.000 0.311 631 V C -0.820 175.228 176.094 -0.078 0.000 1.181 631 V CA -0.779 61.486 62.300 -0.058 0.000 1.054 631 V CB 1.763 33.558 31.823 -0.046 0.000 1.085 631 V HN 0.415 nan 8.190 nan 0.000 0.446 632 V N 1.600 121.472 119.914 -0.069 0.000 2.789 632 V HA 0.724 4.844 4.120 -0.000 0.000 0.311 632 V C -0.221 175.859 176.094 -0.023 0.000 1.073 632 V CA -0.437 61.831 62.300 -0.053 0.000 0.921 632 V CB 1.286 33.080 31.823 -0.047 0.000 1.009 632 V HN 1.191 nan 8.190 nan 0.000 0.426 633 I N -0.728 119.842 120.570 -0.001 0.000 2.846 633 I HA 0.792 4.962 4.170 -0.000 0.000 0.307 633 I C -1.257 174.870 176.117 0.017 0.000 1.053 633 I CA -0.542 60.754 61.300 -0.007 0.000 1.050 633 I CB 2.469 40.449 38.000 -0.033 0.000 1.239 633 I HN 0.578 nan 8.210 nan 0.000 0.439 634 D N 3.112 123.514 120.400 0.003 0.000 2.373 634 D HA 0.311 4.951 4.640 -0.000 0.000 0.227 634 D C 0.635 176.931 176.300 -0.006 0.000 1.091 634 D CA -0.474 53.531 54.000 0.008 0.000 0.840 634 D CB 1.317 42.118 40.800 0.002 0.000 1.060 634 D HN 0.524 nan 8.370 nan 0.000 0.502 635 R N 2.911 123.408 120.500 -0.005 0.000 2.328 635 R HA 0.023 4.363 4.340 -0.000 0.000 0.207 635 R C 1.307 177.597 176.300 -0.018 0.000 1.056 635 R CA 0.526 56.616 56.100 -0.017 0.000 1.016 635 R CB 0.295 30.584 30.300 -0.018 0.000 0.872 635 R HN 0.523 nan 8.270 nan 0.000 0.471 636 L N -0.658 120.557 121.223 -0.014 0.000 2.221 636 L HA -0.004 4.336 4.340 -0.000 0.000 0.202 636 L C 2.175 179.036 176.870 -0.015 0.000 1.074 636 L CA 1.305 56.137 54.840 -0.014 0.000 0.795 636 L CB -0.112 41.940 42.059 -0.012 0.000 0.960 636 L HN 0.209 nan 8.230 nan 0.000 0.458 637 T N -5.195 109.350 114.554 -0.015 0.000 2.971 637 T HA 0.302 4.652 4.350 -0.000 0.000 0.252 637 T C 1.431 176.119 174.700 -0.021 0.000 1.022 637 T CA 0.575 62.666 62.100 -0.016 0.000 0.980 637 T CB 1.087 69.946 68.868 -0.014 0.000 1.044 637 T HN 0.367 nan 8.240 nan 0.000 0.501 638 G N 1.463 110.248 108.800 -0.024 0.000 2.195 638 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 638 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 638 G C -0.091 174.791 174.900 -0.031 0.000 0.984 638 G CA 0.063 45.144 45.100 -0.031 0.000 0.633 638 G HN 0.670 nan 8.290 nan 0.000 0.525 639 E N 0.839 121.025 120.200 -0.024 0.000 2.485 639 E HA 0.361 4.711 4.350 -0.000 0.000 0.266 639 E C 0.611 177.197 176.600 -0.024 0.000 1.090 639 E CA 1.269 57.654 56.400 -0.024 0.000 0.987 639 E CB 0.207 29.897 29.700 -0.017 0.000 0.974 639 E HN 0.879 nan 8.360 nan 0.000 0.455 640 N N -0.247 118.437 118.700 -0.028 0.000 3.533 640 N HA 0.361 5.101 4.740 -0.000 0.000 0.229 640 N C -1.713 173.776 175.510 -0.035 0.000 1.418 640 N CA -1.045 51.986 53.050 -0.031 0.000 0.880 640 N CB 1.035 39.498 38.487 -0.041 0.000 1.415 640 N HN 0.520 nan 8.380 nan 0.000 0.491 641 R N -0.373 120.104 120.500 -0.038 0.000 2.712 641 R HA 0.512 4.852 4.340 -0.000 0.000 0.272 641 R C -1.707 174.564 176.300 -0.049 0.000 1.032 641 R CA -1.007 55.067 56.100 -0.043 0.000 0.874 641 R CB 0.727 31.006 30.300 -0.036 0.000 1.256 641 R HN 0.503 nan 8.270 nan 0.000 0.468 642 I N 2.875 123.413 120.570 -0.052 0.000 2.301 642 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 642 I C 1.275 177.354 176.117 -0.065 0.000 1.046 642 I CA -0.451 60.818 61.300 -0.052 0.000 1.282 642 I CB 1.206 39.180 38.000 -0.043 0.000 1.409 642 I HN 0.533 nan 8.210 nan 0.000 0.484 643 L N 5.802 126.984 121.223 -0.067 0.000 2.095 643 L HA 0.141 4.481 4.340 -0.000 0.000 0.204 643 L C 1.139 177.968 176.870 -0.069 0.000 1.080 643 L CA 0.839 55.635 54.840 -0.073 0.000 0.759 643 L CB -0.151 41.851 42.059 -0.096 0.000 0.914 643 L HN 0.595 nan 8.230 nan 0.000 0.439 644 R N -1.007 119.452 120.500 -0.067 0.000 2.692 644 R HA 0.420 4.760 4.340 -0.000 0.000 0.269 644 R C -1.770 174.484 176.300 -0.076 0.000 1.030 644 R CA -0.424 55.636 56.100 -0.066 0.000 0.882 644 R CB 2.146 32.423 30.300 -0.038 0.000 1.250 644 R HN -0.207 nan 8.270 nan 0.000 0.465 645 T N 1.675 116.167 114.554 -0.104 0.000 2.933 645 T HA 0.381 4.731 4.350 -0.000 0.000 0.305 645 T C -1.780 172.880 174.700 -0.068 0.000 1.092 645 T CA -0.683 61.322 62.100 -0.157 0.000 1.008 645 T CB 1.780 70.365 68.868 -0.473 0.000 1.102 645 T HN 0.580 nan 8.240 nan 0.000 0.469 646 D N 1.449 121.808 120.400 -0.068 0.000 2.757 646 D HA 0.655 5.295 4.640 -0.000 0.000 0.249 646 D C -0.757 175.516 176.300 -0.045 0.000 1.168 646 D CA -0.356 53.628 54.000 -0.027 0.000 0.870 646 D CB 1.660 42.453 40.800 -0.012 0.000 1.411 646 D HN 0.361 nan 8.370 nan 0.000 0.525 647 I N 1.823 122.379 120.570 -0.023 0.000 2.730 647 I HA 0.527 4.697 4.170 -0.000 0.000 0.298 647 I C -1.486 174.654 176.117 0.038 0.000 1.089 647 I CA -1.174 60.124 61.300 -0.004 0.000 1.041 647 I CB 2.122 40.113 38.000 -0.016 0.000 1.235 647 I HN 0.139 nan 8.210 nan 0.000 0.423 648 L N 5.243 126.507 121.223 0.068 0.000 2.476 648 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 648 L C -1.501 175.452 176.870 0.137 0.000 0.965 648 L CA -0.091 54.812 54.840 0.105 0.000 0.845 648 L CB 1.427 43.536 42.059 0.085 0.000 1.259 648 L HN 0.609 nan 8.230 nan 0.000 0.403 649 H N 1.819 120.935 119.070 0.078 0.000 2.768 649 H HA 0.510 5.066 4.556 0.000 0.000 0.371 649 H C -1.391 174.020 175.328 0.139 0.000 1.151 649 H CA -0.577 55.514 56.048 0.071 0.000 1.165 649 H CB 1.755 31.552 29.762 0.057 0.000 1.722 649 H HN 0.660 nan 8.280 nan 0.000 0.543 650 D N 3.110 123.262 120.400 -0.412 0.000 2.441 650 D HA 0.256 4.896 4.640 -0.000 0.000 0.221 650 D C -0.283 176.037 176.300 0.034 0.000 1.156 650 D CA -0.121 53.840 54.000 -0.065 0.000 0.896 650 D CB 0.287 41.036 40.800 -0.085 0.000 1.028 650 D HN 0.614 nan 8.370 nan 0.000 0.509 651 A N 3.464 126.388 122.820 0.173 0.000 2.684 651 A HA 0.610 4.930 4.320 -0.000 0.000 0.288 651 A C 1.339 178.996 177.584 0.121 0.000 1.337 651 A CA 0.131 52.271 52.037 0.173 0.000 0.946 651 A CB -0.745 18.357 19.000 0.170 0.000 1.093 651 A HN 0.828 nan 8.150 nan 0.000 0.543 652 G N 0.061 108.935 108.800 0.123 0.000 2.574 652 G HA2 0.075 4.035 3.960 -0.000 0.000 0.295 652 G HA3 0.075 4.035 3.960 -0.000 0.000 0.295 652 G C 0.578 175.506 174.900 0.048 0.000 1.300 652 G CA 0.109 45.251 45.100 0.070 0.000 0.944 652 G HN 1.871 nan 8.290 nan 0.000 0.551 653 A N -0.207 122.624 122.820 0.018 0.000 2.539 653 A HA 0.616 4.936 4.320 -0.000 0.000 0.306 653 A C 0.960 178.556 177.584 0.020 0.000 1.392 653 A CA 1.339 53.382 52.037 0.010 0.000 1.060 653 A CB -0.159 18.844 19.000 0.005 0.000 1.134 653 A HN 2.235 nan 8.150 nan 0.000 0.542 654 S N 2.459 118.171 115.700 0.021 0.000 2.563 654 S HA 0.062 4.531 4.470 -0.000 0.000 0.294 654 S C 1.313 175.915 174.600 0.003 0.000 1.279 654 S CA -0.294 57.921 58.200 0.024 0.000 1.069 654 S CB -0.200 63.015 63.200 0.025 0.000 0.828 654 S HN 0.561 nan 8.310 nan 0.000 0.497 655 L N 3.366 124.595 121.223 0.009 0.000 2.191 655 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 655 L C 1.204 178.053 176.870 -0.035 0.000 1.103 655 L CA 0.658 55.490 54.840 -0.014 0.000 0.769 655 L CB -0.388 41.675 42.059 0.006 0.000 0.908 655 L HN 0.663 nan 8.230 nan 0.000 0.438 656 N N -1.330 117.360 118.700 -0.018 0.000 3.112 656 N HA 0.115 4.854 4.740 -0.000 0.000 0.231 656 N C -2.395 173.113 175.510 -0.005 0.000 1.385 656 N CA -0.969 52.069 53.050 -0.020 0.000 0.790 656 N CB 1.268 39.742 38.487 -0.021 0.000 1.563 656 N HN -0.302 nan 8.380 nan 0.000 0.613 657 P HA -0.014 nan 4.420 nan 0.000 0.221 657 P C 0.981 178.281 177.300 0.001 0.000 1.145 657 P CA 1.002 64.103 63.100 0.002 0.000 0.795 657 P CB 0.395 32.091 31.700 -0.007 0.000 0.775 658 A N -0.593 122.227 122.820 -0.001 0.000 1.898 658 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 658 A C 2.139 179.731 177.584 0.013 0.000 1.183 658 A CA 1.028 53.066 52.037 0.002 0.000 0.622 658 A CB -1.415 17.588 19.000 0.006 0.000 0.824 658 A HN 0.108 nan 8.150 nan 0.000 0.444 659 L N -0.445 120.790 121.223 0.020 0.000 2.141 659 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 659 L C 1.782 178.668 176.870 0.027 0.000 1.094 659 L CA 1.151 56.011 54.840 0.034 0.000 0.763 659 L CB -0.584 41.494 42.059 0.031 0.000 0.908 659 L HN 0.271 nan 8.230 nan 0.000 0.437 660 D N 0.146 120.558 120.400 0.021 0.000 2.123 660 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 660 D C 2.309 178.616 176.300 0.011 0.000 0.976 660 D CA 0.865 54.880 54.000 0.025 0.000 0.831 660 D CB 0.045 40.872 40.800 0.044 0.000 0.974 660 D HN 0.094 nan 8.370 nan 0.000 0.469 661 I N 1.195 121.765 120.570 0.000 0.000 2.208 661 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 661 I C 2.460 178.553 176.117 -0.041 0.000 1.097 661 I CA 1.353 62.634 61.300 -0.031 0.000 1.363 661 I CB -1.494 36.478 38.000 -0.047 0.000 1.051 661 I HN 0.012 nan 8.210 nan 0.000 0.413 662 G N -0.099 108.692 108.800 -0.014 0.000 2.422 662 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 662 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 662 G C 1.548 176.464 174.900 0.027 0.000 1.140 662 G CA 0.126 45.227 45.100 0.002 0.000 0.775 662 G HN 0.339 nan 8.290 nan 0.000 0.545 663 Q N 0.086 119.903 119.800 0.029 0.000 2.119 663 Q HA 0.017 4.357 4.340 -0.000 0.000 0.201 663 Q C 2.699 178.713 176.000 0.024 0.000 0.972 663 Q CA 0.712 56.539 55.803 0.040 0.000 0.847 663 Q CB -0.177 28.574 28.738 0.022 0.000 0.903 663 Q HN 0.564 nan 8.270 nan 0.000 0.433 664 I N 0.787 121.343 120.570 -0.023 0.000 2.179 664 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 664 I C 2.129 178.282 176.117 0.060 0.000 1.088 664 I CA 1.247 62.519 61.300 -0.046 0.000 1.357 664 I CB -0.232 37.709 38.000 -0.099 0.000 1.051 664 I HN 0.228 nan 8.210 nan 0.000 0.409 665 E N 0.725 120.937 120.200 0.020 0.000 2.077 665 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 665 E C 2.290 179.045 176.600 0.258 0.000 0.989 665 E CA 1.285 57.752 56.400 0.111 0.000 0.800 665 E CB -0.397 29.199 29.700 -0.173 0.000 0.746 665 E HN 0.601 nan 8.360 nan 0.000 0.452 666 G N 0.990 109.883 108.800 0.156 0.000 2.408 666 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 666 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 666 G C 1.646 176.657 174.900 0.184 0.000 1.150 666 G CA 0.774 45.975 45.100 0.168 0.000 0.776 666 G HN 0.339 nan 8.290 nan 0.000 0.542 667 A N -0.222 122.706 122.820 0.181 0.000 1.930 667 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 667 A C 2.122 179.796 177.584 0.149 0.000 1.176 667 A CA 1.380 53.540 52.037 0.205 0.000 0.632 667 A CB -0.563 18.547 19.000 0.183 0.000 0.819 667 A HN 0.436 nan 8.150 nan 0.000 0.445 668 Y N 0.634 120.969 120.300 0.060 0.000 2.165 668 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 668 Y C 2.220 178.108 175.900 -0.021 0.000 1.155 668 Y CA 2.045 60.154 58.100 0.014 0.000 1.164 668 Y CB -0.319 38.210 38.460 0.114 0.000 0.978 668 Y HN 0.057 nan 8.280 nan 0.000 0.513 669 V N 0.625 120.598 119.914 0.098 0.000 2.407 669 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 669 V C 2.376 178.399 176.094 -0.119 0.000 1.055 669 V CA 2.302 64.572 62.300 -0.050 0.000 1.049 669 V CB -0.632 31.235 31.823 0.074 0.000 0.662 669 V HN 0.489 nan 8.190 nan 0.000 0.455 670 Q N -0.375 119.411 119.800 -0.025 0.000 2.119 670 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 670 Q C 2.278 178.232 176.000 -0.077 0.000 0.972 670 Q CA 1.598 57.430 55.803 0.049 0.000 0.847 670 Q CB -0.346 28.525 28.738 0.222 0.000 0.903 670 Q HN 0.692 nan 8.270 nan 0.000 0.433 671 G N 0.089 108.594 108.800 -0.492 0.000 2.402 671 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 671 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 671 G C 1.405 176.045 174.900 -0.432 0.000 1.162 671 G CA 0.733 45.247 45.100 -0.977 0.000 0.777 671 G HN 0.446 nan 8.290 nan 0.000 0.539 672 A N 0.765 123.287 122.820 -0.495 0.000 2.019 672 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 672 A C 2.618 180.085 177.584 -0.195 0.000 1.164 672 A CA 1.961 53.775 52.037 -0.371 0.000 0.644 672 A CB -0.791 17.908 19.000 -0.502 0.000 0.805 672 A HN 0.484 nan 8.150 nan 0.000 0.449 673 G N -1.621 107.092 108.800 -0.146 0.000 2.403 673 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 673 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 673 G C 1.302 176.208 174.900 0.010 0.000 1.154 673 G CA 0.952 46.004 45.100 -0.080 0.000 0.784 673 G HN 0.644 nan 8.290 nan 0.000 0.538 674 W N 1.474 122.664 121.300 -0.184 0.000 2.321 674 W HA -0.033 4.626 4.660 -0.000 0.000 0.306 674 W C 1.557 177.982 176.519 -0.156 0.000 1.217 674 W CA 1.174 58.427 57.345 -0.153 0.000 1.257 674 W CB -0.341 29.029 29.460 -0.151 0.000 1.145 674 W HN 0.129 nan 8.180 nan 0.000 0.509 675 L N 0.562 121.633 121.223 -0.253 0.000 2.741 675 L HA 0.208 4.548 4.340 -0.000 0.000 0.237 675 L C 1.704 178.489 176.870 -0.142 0.000 1.178 675 L CA 0.796 55.380 54.840 -0.427 0.000 0.973 675 L CB -0.463 41.255 42.059 -0.568 0.000 1.255 675 L HN 0.032 nan 8.230 nan 0.000 0.498 676 T N -6.122 108.367 114.554 -0.110 0.000 3.400 676 T HA -0.014 4.335 4.350 -0.000 0.000 0.228 676 T C 1.556 176.199 174.700 -0.094 0.000 0.992 676 T CA 0.752 62.809 62.100 -0.071 0.000 1.222 676 T CB -0.229 68.598 68.868 -0.069 0.000 1.236 676 T HN 0.083 nan 8.240 nan 0.000 0.357 677 T N -0.292 114.187 114.554 -0.124 0.000 3.044 677 T HA 0.316 4.666 4.350 -0.000 0.000 0.250 677 T C 0.544 175.106 174.700 -0.231 0.000 1.081 677 T CA -0.138 61.867 62.100 -0.158 0.000 1.040 677 T CB -0.322 68.443 68.868 -0.171 0.000 0.962 677 T HN 0.479 nan 8.240 nan 0.000 0.506 678 E N 2.067 122.130 120.200 -0.228 0.000 2.129 678 E HA 0.297 4.647 4.350 -0.000 0.000 0.283 678 E C -0.446 176.080 176.600 -0.122 0.000 1.080 678 E CA -0.065 56.135 56.400 -0.334 0.000 0.867 678 E CB 0.560 30.167 29.700 -0.154 0.000 1.056 678 E HN 0.522 nan 8.360 nan 0.000 0.404 679 E N 4.599 124.727 120.200 -0.119 0.000 2.241 679 E HA 0.253 4.603 4.350 -0.000 0.000 0.263 679 E C -1.284 175.403 176.600 0.146 0.000 0.882 679 E CA -0.570 55.856 56.400 0.044 0.000 0.769 679 E CB 0.989 30.682 29.700 -0.012 0.000 1.185 679 E HN 0.388 nan 8.360 nan 0.000 0.415 680 L N 4.215 125.519 121.223 0.135 0.000 2.307 680 L HA 0.528 4.868 4.340 -0.000 0.000 0.282 680 L C -0.810 175.991 176.870 -0.115 0.000 1.051 680 L CA -0.854 53.961 54.840 -0.042 0.000 0.804 680 L CB 1.573 43.553 42.059 -0.131 0.000 1.197 680 L HN 0.383 nan 8.230 nan 0.000 0.431 681 V N 1.571 121.323 119.914 -0.270 0.000 2.638 681 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 681 V C -0.858 175.084 176.094 -0.252 0.000 1.052 681 V CA -0.790 61.443 62.300 -0.111 0.000 0.885 681 V CB 2.139 33.954 31.823 -0.013 0.000 0.999 681 V HN 0.621 nan 8.190 nan 0.000 0.424 682 W N 2.633 123.955 121.300 0.037 0.000 2.666 682 W HA 0.440 5.100 4.660 -0.000 0.000 0.334 682 W C -0.178 176.349 176.519 0.012 0.000 1.051 682 W CA -0.469 56.886 57.345 0.016 0.000 1.224 682 W CB 2.389 31.855 29.460 0.009 0.000 1.405 682 W HN 0.828 nan 8.180 nan 0.000 0.513 683 D N 0.082 120.600 120.400 0.196 0.000 2.447 683 D HA -0.068 4.572 4.640 -0.000 0.000 0.265 683 D C 1.645 177.979 176.300 0.056 0.000 1.250 683 D CA 0.219 54.279 54.000 0.101 0.000 1.046 683 D CB 0.003 40.794 40.800 -0.016 0.000 1.095 683 D HN 0.518 nan 8.370 nan 0.000 0.555 684 H N -1.372 117.742 119.070 0.074 0.000 2.456 684 H HA -0.056 4.500 4.556 -0.000 0.000 0.296 684 H C 1.198 176.547 175.328 0.034 0.000 1.079 684 H CA 0.728 56.804 56.048 0.047 0.000 1.322 684 H CB -0.887 28.892 29.762 0.029 0.000 1.388 684 H HN 0.289 nan 8.280 nan 0.000 0.538 685 C N 0.972 120.002 119.300 -0.450 0.000 2.626 685 C HA 0.334 4.794 4.460 -0.000 0.000 0.266 685 C C 1.959 176.885 174.990 -0.108 0.000 1.317 685 C CA 0.596 59.462 59.018 -0.253 0.000 1.716 685 C CB -0.932 26.608 27.740 -0.334 0.000 1.819 685 C HN 0.937 nan 8.230 nan 0.000 0.578 686 G N 1.036 109.820 108.800 -0.026 0.000 2.159 686 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.256 686 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.256 686 G C 0.173 175.206 174.900 0.220 0.000 0.977 686 G CA -0.179 44.962 45.100 0.068 0.000 0.652 686 G HN 0.579 nan 8.290 nan 0.000 0.531 687 R N -0.440 120.128 120.500 0.114 0.000 2.491 687 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 687 R C 0.428 176.788 176.300 0.100 0.000 1.072 687 R CA -0.612 55.535 56.100 0.079 0.000 1.048 687 R CB 0.655 30.924 30.300 -0.052 0.000 0.983 687 R HN 0.256 nan 8.270 nan 0.000 0.450 688 L N 4.014 125.209 121.223 -0.046 0.000 2.315 688 L HA 0.067 4.407 4.340 -0.000 0.000 0.283 688 L C 0.599 177.332 176.870 -0.227 0.000 1.089 688 L CA 0.341 54.950 54.840 -0.385 0.000 0.833 688 L CB 0.920 42.750 42.059 -0.382 0.000 1.170 688 L HN 0.702 nan 8.230 nan 0.000 0.442 689 M N 2.136 121.619 119.600 -0.195 0.000 2.388 689 M HA 0.079 4.559 4.480 -0.000 0.000 0.265 689 M C 0.873 177.224 176.300 0.084 0.000 1.088 689 M CA 0.694 55.982 55.300 -0.019 0.000 1.134 689 M CB -1.146 31.450 32.600 -0.006 0.000 1.384 689 M HN 0.716 nan 8.290 nan 0.000 0.447 690 T N -0.216 114.321 114.554 -0.028 0.000 3.016 690 T HA 0.307 4.657 4.350 -0.000 0.000 0.335 690 T C 0.139 174.859 174.700 0.032 0.000 1.176 690 T CA -0.620 61.489 62.100 0.016 0.000 0.987 690 T CB -0.459 68.415 68.868 0.011 0.000 1.073 690 T HN 0.458 nan 8.240 nan 0.000 0.547 691 H N 1.351 120.386 119.070 -0.059 0.000 2.587 691 H HA 0.683 5.239 4.556 -0.000 0.000 0.245 691 H C -0.500 174.842 175.328 0.023 0.000 1.238 691 H CA -0.883 55.135 56.048 -0.050 0.000 0.963 691 H CB -0.417 29.312 29.762 -0.056 0.000 1.904 691 H HN 0.823 nan 8.280 nan 0.000 0.584 692 A N 1.027 123.783 122.820 -0.106 0.000 2.581 692 A HA 0.397 4.717 4.320 -0.000 0.000 0.294 692 A C -2.691 174.926 177.584 0.055 0.000 1.035 692 A CA -1.082 50.927 52.037 -0.046 0.000 0.684 692 A CB 0.948 19.812 19.000 -0.227 0.000 1.282 692 A HN 0.037 nan 8.150 nan 0.000 0.417 693 P HA -0.056 nan 4.420 nan 0.000 0.223 693 P C 1.529 178.815 177.300 -0.024 0.000 1.151 693 P CA 1.821 64.947 63.100 0.044 0.000 0.787 693 P CB 0.228 32.038 31.700 0.183 0.000 0.788 694 S N -0.718 114.973 115.700 -0.014 0.000 2.469 694 S HA -0.105 4.365 4.470 -0.000 0.000 0.238 694 S C 1.605 176.176 174.600 -0.048 0.000 0.998 694 S CA 1.913 60.091 58.200 -0.036 0.000 0.957 694 S CB -1.218 61.961 63.200 -0.035 0.000 0.764 694 S HN 0.321 nan 8.310 nan 0.000 0.514 695 T N -3.504 111.025 114.554 -0.041 0.000 2.958 695 T HA 0.264 4.614 4.350 -0.000 0.000 0.256 695 T C -0.062 174.635 174.700 -0.006 0.000 0.983 695 T CA -0.407 61.674 62.100 -0.031 0.000 0.924 695 T CB -0.281 68.569 68.868 -0.030 0.000 1.136 695 T HN 0.339 nan 8.240 nan 0.000 0.506 696 Y N 3.062 123.285 120.300 -0.127 0.000 2.369 696 Y HA 0.590 5.140 4.550 -0.000 0.000 0.337 696 Y C -1.040 174.731 175.900 -0.214 0.000 0.961 696 Y CA -1.460 56.553 58.100 -0.145 0.000 1.186 696 Y CB 0.903 39.286 38.460 -0.128 0.000 1.139 696 Y HN -0.180 nan 8.280 nan 0.000 0.494 697 K N 8.839 128.856 120.400 -0.638 0.000 2.296 697 K HA 0.256 4.576 4.320 -0.000 0.000 0.257 697 K C 0.078 176.376 176.600 -0.503 0.000 1.088 697 K CA -0.377 55.633 56.287 -0.461 0.000 0.980 697 K CB -0.183 32.141 32.500 -0.294 0.000 1.430 697 K HN 0.827 nan 8.250 nan 0.000 0.441 698 I N -0.736 119.553 120.570 -0.468 0.000 3.194 698 I HA 0.297 4.467 4.170 -0.000 0.000 0.283 698 I C -1.934 174.066 176.117 -0.195 0.000 1.199 698 I CA -2.138 58.982 61.300 -0.301 0.000 1.328 698 I CB -0.001 37.850 38.000 -0.248 0.000 1.404 698 I HN 0.169 nan 8.210 nan 0.000 0.618 699 P HA 0.215 nan 4.420 nan 0.000 0.271 699 P C -0.849 176.421 177.300 -0.051 0.000 1.220 699 P CA -0.032 63.014 63.100 -0.090 0.000 0.768 699 P CB 0.943 32.595 31.700 -0.080 0.000 0.848 700 A N 2.884 125.689 122.820 -0.026 0.000 2.269 700 A HA 0.362 4.682 4.320 -0.000 0.000 0.319 700 A C 0.984 178.629 177.584 0.101 0.000 1.110 700 A CA -0.548 51.514 52.037 0.041 0.000 0.847 700 A CB -0.184 18.841 19.000 0.043 0.000 1.161 700 A HN 0.584 nan 8.150 nan 0.000 0.497 701 F N 1.310 121.262 119.950 0.004 0.000 2.063 701 F HA -0.340 4.187 4.527 -0.000 0.000 0.296 701 F C 2.718 178.525 175.800 0.011 0.000 1.093 701 F CA 3.020 61.031 58.000 0.018 0.000 1.229 701 F CB 0.040 39.053 39.000 0.021 0.000 0.971 701 F HN 0.560 nan 8.300 nan 0.000 0.491 702 S N -0.602 115.295 115.700 0.328 0.000 2.474 702 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 702 S C 1.443 176.082 174.600 0.064 0.000 0.997 702 S CA 1.363 59.684 58.200 0.202 0.000 0.949 702 S CB -0.595 62.686 63.200 0.136 0.000 0.766 702 S HN 0.474 nan 8.310 nan 0.000 0.517 703 D N 1.706 122.119 120.400 0.021 0.000 2.363 703 D HA 0.005 4.645 4.640 -0.000 0.000 0.226 703 D C 0.838 177.096 176.300 -0.069 0.000 1.020 703 D CA 0.194 54.175 54.000 -0.031 0.000 0.892 703 D CB -0.253 40.517 40.800 -0.050 0.000 0.900 703 D HN 0.724 nan 8.370 nan 0.000 0.531 704 R N 1.430 121.877 120.500 -0.087 0.000 2.537 704 R HA 0.266 4.606 4.340 -0.000 0.000 0.280 704 R C -2.574 173.627 176.300 -0.165 0.000 1.058 704 R CA -1.228 54.783 56.100 -0.148 0.000 1.057 704 R CB -0.545 29.663 30.300 -0.153 0.000 0.973 704 R HN -0.221 nan 8.270 nan 0.000 0.438 705 P HA -0.026 nan 4.420 nan 0.000 0.265 705 P C 0.054 177.275 177.300 -0.132 0.000 1.187 705 P CA -0.228 62.718 63.100 -0.256 0.000 0.766 705 P CB 0.576 31.981 31.700 -0.491 0.000 0.820 706 R N 2.135 122.595 120.500 -0.067 0.000 2.075 706 R HA 0.071 4.411 4.340 -0.000 0.000 0.232 706 R C 0.776 177.087 176.300 0.019 0.000 1.126 706 R CA 1.101 57.194 56.100 -0.011 0.000 0.963 706 R CB -0.454 29.841 30.300 -0.010 0.000 0.858 706 R HN 0.509 nan 8.270 nan 0.000 0.435 707 I N 0.697 121.270 120.570 0.005 0.000 2.339 707 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 707 I C -0.562 175.610 176.117 0.092 0.000 0.994 707 I CA -0.272 61.057 61.300 0.049 0.000 1.191 707 I CB 1.379 39.395 38.000 0.025 0.000 1.343 707 I HN -0.103 nan 8.210 nan 0.000 0.458 708 F N 6.719 126.637 119.950 -0.053 0.000 2.451 708 F HA 0.413 4.940 4.527 -0.000 0.000 0.367 708 F C -0.344 175.410 175.800 -0.077 0.000 1.100 708 F CA -0.986 56.964 58.000 -0.083 0.000 1.171 708 F CB 0.540 39.498 39.000 -0.071 0.000 1.405 708 F HN 0.485 nan 8.300 nan 0.000 0.482 709 N N 4.652 123.449 118.700 0.163 0.000 2.437 709 N HA 0.359 5.099 4.740 -0.000 0.000 0.259 709 N C -0.870 174.627 175.510 -0.022 0.000 0.983 709 N CA -0.174 52.889 53.050 0.022 0.000 0.937 709 N CB 2.471 40.972 38.487 0.024 0.000 1.122 709 N HN 0.163 nan 8.380 nan 0.000 0.499 710 V N 0.635 120.486 119.914 -0.106 0.000 2.680 710 V HA 0.907 5.027 4.120 -0.000 0.000 0.309 710 V C -0.220 175.847 176.094 -0.046 0.000 1.052 710 V CA -0.873 61.370 62.300 -0.094 0.000 0.908 710 V CB 1.670 33.376 31.823 -0.196 0.000 1.001 710 V HN 0.774 nan 8.190 nan 0.000 0.431 711 A N 4.194 127.019 122.820 0.009 0.000 2.574 711 A HA 0.871 5.191 4.320 -0.000 0.000 0.297 711 A C -1.410 176.229 177.584 0.091 0.000 1.062 711 A CA -0.557 51.502 52.037 0.037 0.000 0.686 711 A CB 1.417 20.442 19.000 0.041 0.000 1.285 711 A HN 0.738 nan 8.150 nan 0.000 0.403 712 L N 1.833 123.112 121.223 0.094 0.000 2.325 712 L HA 0.434 4.774 4.340 -0.000 0.000 0.279 712 L C -0.210 176.772 176.870 0.187 0.000 1.054 712 L CA -0.533 54.394 54.840 0.146 0.000 0.804 712 L CB 1.411 43.531 42.059 0.101 0.000 1.200 712 L HN 0.826 nan 8.230 nan 0.000 0.436 713 W N 3.924 125.227 121.300 0.006 0.000 2.332 713 W HA 0.187 4.847 4.660 0.000 0.000 0.306 713 W C -0.951 175.560 176.519 -0.013 0.000 1.149 713 W CA -0.339 56.997 57.345 -0.014 0.000 1.271 713 W CB 1.416 30.855 29.460 -0.034 0.000 1.243 713 W HN 0.485 nan 8.180 nan 0.000 0.459 714 D N 5.253 125.480 120.400 -0.288 0.000 2.485 714 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 714 D C -0.744 175.369 176.300 -0.311 0.000 1.112 714 D CA 0.343 54.221 54.000 -0.203 0.000 0.911 714 D CB 0.522 41.232 40.800 -0.151 0.000 1.019 714 D HN 0.348 nan 8.370 nan 0.000 0.516 715 Q N 3.588 123.283 119.800 -0.174 0.000 2.263 715 Q HA 0.286 4.626 4.340 -0.000 0.000 0.262 715 Q C -2.465 173.537 176.000 0.002 0.000 0.984 715 Q CA -1.801 53.933 55.803 -0.115 0.000 0.813 715 Q CB 2.828 31.521 28.738 -0.076 0.000 1.299 715 Q HN 0.332 nan 8.270 nan 0.000 0.428 716 P HA -0.118 nan 4.420 nan 0.000 0.267 716 P C -0.354 176.941 177.300 -0.008 0.000 1.201 716 P CA -0.021 63.073 63.100 -0.011 0.000 0.775 716 P CB 0.647 32.337 31.700 -0.016 0.000 0.854 717 N N 1.889 120.557 118.700 -0.053 0.000 2.518 717 N HA 0.008 4.748 4.740 -0.000 0.000 0.266 717 N C 1.279 176.743 175.510 -0.076 0.000 1.196 717 N CA 0.037 53.021 53.050 -0.110 0.000 0.947 717 N CB 0.432 38.750 38.487 -0.281 0.000 1.098 717 N HN 0.246 nan 8.380 nan 0.000 0.450 718 R N 0.886 121.358 120.500 -0.046 0.000 2.193 718 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 718 R C -0.007 176.273 176.300 -0.033 0.000 1.055 718 R CA 0.613 56.702 56.100 -0.017 0.000 0.995 718 R CB 0.218 30.530 30.300 0.020 0.000 0.893 718 R HN 0.608 nan 8.270 nan 0.000 0.459 719 E N 1.158 121.312 120.200 -0.078 0.000 2.318 719 E HA 0.069 4.419 4.350 -0.000 0.000 0.265 719 E C -0.564 175.982 176.600 -0.089 0.000 1.069 719 E CA -0.128 56.235 56.400 -0.062 0.000 0.893 719 E CB 0.833 30.513 29.700 -0.033 0.000 1.076 719 E HN 0.113 nan 8.360 nan 0.000 0.414 720 E N 1.448 121.620 120.200 -0.046 0.000 1.802 720 E HA 0.089 4.439 4.350 -0.000 0.000 0.265 720 E C -0.256 176.297 176.600 -0.079 0.000 1.168 720 E CA -0.151 56.215 56.400 -0.058 0.000 1.033 720 E CB 0.078 29.762 29.700 -0.027 0.000 1.095 720 E HN 0.345 nan 8.360 nan 0.000 0.436 721 T N -0.741 113.732 114.554 -0.135 0.000 2.945 721 T HA 0.360 4.710 4.350 -0.000 0.000 0.286 721 T C 0.336 174.914 174.700 -0.203 0.000 1.025 721 T CA -1.050 60.953 62.100 -0.161 0.000 1.039 721 T CB 1.253 70.007 68.868 -0.189 0.000 1.068 721 T HN 0.185 nan 8.240 nan 0.000 0.497 722 I N 2.633 123.054 120.570 -0.249 0.000 2.919 722 I HA 0.094 4.264 4.170 -0.000 0.000 0.299 722 I C 0.229 176.256 176.117 -0.150 0.000 1.221 722 I CA -0.547 60.560 61.300 -0.321 0.000 1.424 722 I CB -1.429 36.428 38.000 -0.240 0.000 1.358 722 I HN 0.778 nan 8.210 nan 0.000 0.551 723 F N 6.776 126.669 119.950 -0.095 0.000 3.056 723 F HA -0.347 4.180 4.527 -0.000 0.000 0.266 723 F C 1.252 177.006 175.800 -0.076 0.000 0.957 723 F CA 0.939 58.894 58.000 -0.075 0.000 0.894 723 F CB -1.278 37.682 39.000 -0.066 0.000 0.832 723 F HN 0.667 nan 8.300 nan 0.000 0.745 724 R N -1.945 118.551 120.500 -0.006 0.000 3.758 724 R HA -0.209 4.131 4.340 -0.000 0.000 0.299 724 R C 0.669 176.945 176.300 -0.040 0.000 1.182 724 R CA 0.922 56.997 56.100 -0.041 0.000 0.809 724 R CB -2.330 27.964 30.300 -0.010 0.000 1.249 724 R HN 0.575 nan 8.270 nan 0.000 0.497 725 S N -0.107 115.580 115.700 -0.021 0.000 2.661 725 S HA 0.622 5.092 4.470 -0.000 0.000 0.265 725 S C 0.170 174.730 174.600 -0.067 0.000 1.225 725 S CA -0.597 57.597 58.200 -0.010 0.000 0.986 725 S CB 2.342 65.561 63.200 0.031 0.000 1.008 725 S HN 0.242 nan 8.310 nan 0.000 0.565 726 K N -0.233 120.178 120.400 0.018 0.000 2.422 726 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 726 K C -0.637 176.075 176.600 0.185 0.000 0.933 726 K CA -0.742 55.619 56.287 0.124 0.000 0.798 726 K CB 2.067 34.683 32.500 0.194 0.000 1.238 726 K HN 0.865 nan 8.250 nan 0.000 0.428 727 A N 1.377 124.353 122.820 0.260 0.000 2.531 727 A HA 0.083 4.403 4.320 -0.000 0.000 0.236 727 A C 0.468 178.111 177.584 0.097 0.000 1.062 727 A CA 0.108 52.215 52.037 0.116 0.000 0.760 727 A CB 0.371 19.404 19.000 0.055 0.000 0.995 727 A HN 0.536 nan 8.150 nan 0.000 0.501 728 V N 2.905 122.847 119.914 0.048 0.000 3.276 728 V HA 0.277 4.397 4.120 -0.000 0.000 0.319 728 V C 1.451 177.520 176.094 -0.040 0.000 1.476 728 V CA 0.979 63.310 62.300 0.052 0.000 1.097 728 V CB -0.090 31.779 31.823 0.078 0.000 0.988 728 V HN 1.113 nan 8.190 nan 0.000 0.473 729 G N 0.187 108.946 108.800 -0.068 0.000 2.434 729 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.214 729 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.214 729 G C 1.171 175.998 174.900 -0.122 0.000 1.202 729 G CA 1.203 46.257 45.100 -0.077 0.000 0.788 729 G HN 0.563 nan 8.290 nan 0.000 0.539 730 E N 0.567 120.613 120.200 -0.256 0.000 2.102 730 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 730 E C -0.107 176.171 176.600 -0.536 0.000 0.971 730 E CA 0.310 56.479 56.400 -0.385 0.000 0.821 730 E CB -0.149 29.249 29.700 -0.503 0.000 0.777 730 E HN 0.277 nan 8.360 nan 0.000 0.460 731 P HA -0.177 nan 4.420 nan 0.000 0.216 731 P C -1.588 175.631 177.300 -0.136 0.000 1.157 731 P CA 2.117 64.909 63.100 -0.514 0.000 0.880 731 P CB -1.023 30.588 31.700 -0.148 0.000 0.791 732 P HA -0.144 nan 4.420 nan 0.000 0.230 732 P C 1.421 178.739 177.300 0.030 0.000 1.158 732 P CA 0.791 63.780 63.100 -0.185 0.000 0.769 732 P CB -0.581 30.869 31.700 -0.417 0.000 0.807 733 F N 1.341 121.229 119.950 -0.103 0.000 2.216 733 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 733 F C 1.658 177.458 175.800 -0.000 0.000 1.085 733 F CA 1.132 59.101 58.000 -0.051 0.000 1.326 733 F CB -0.685 38.266 39.000 -0.082 0.000 1.027 733 F HN -0.276 nan 8.300 nan 0.000 0.497 734 L N 0.447 121.756 121.223 0.142 0.000 2.549 734 L HA -0.149 4.191 4.340 -0.000 0.000 0.230 734 L C 1.850 178.751 176.870 0.052 0.000 1.162 734 L CA 1.069 55.971 54.840 0.103 0.000 0.834 734 L CB -1.037 41.133 42.059 0.185 0.000 0.947 734 L HN 0.236 nan 8.230 nan 0.000 0.452 735 L N -1.134 120.127 121.223 0.064 0.000 2.465 735 L HA -0.011 4.329 4.340 -0.000 0.000 0.224 735 L C 2.403 179.355 176.870 0.137 0.000 1.145 735 L CA 0.699 55.634 54.840 0.158 0.000 0.834 735 L CB -0.931 41.285 42.059 0.262 0.000 0.944 735 L HN 0.359 nan 8.230 nan 0.000 0.451 736 G N 0.301 109.023 108.800 -0.130 0.000 2.471 736 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 736 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 736 G C 1.572 176.393 174.900 -0.132 0.000 1.125 736 G CA 0.179 45.071 45.100 -0.348 0.000 0.775 736 G HN 0.301 nan 8.290 nan 0.000 0.548 737 I N 1.887 122.436 120.570 -0.034 0.000 2.315 737 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 737 I C 3.033 179.217 176.117 0.112 0.000 1.125 737 I CA 1.593 62.918 61.300 0.042 0.000 1.392 737 I CB -0.025 38.025 38.000 0.084 0.000 1.065 737 I HN 0.359 nan 8.210 nan 0.000 0.424 738 S N 0.576 116.347 115.700 0.117 0.000 2.481 738 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 738 S C 2.054 176.728 174.600 0.123 0.000 0.996 738 S CA 0.579 58.859 58.200 0.134 0.000 0.942 738 S CB -0.133 63.149 63.200 0.138 0.000 0.768 738 S HN 0.383 nan 8.310 nan 0.000 0.520 739 A N 0.737 123.616 122.820 0.099 0.000 1.970 739 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 739 A C 1.787 179.411 177.584 0.066 0.000 1.170 739 A CA 0.793 52.867 52.037 0.063 0.000 0.645 739 A CB -0.873 18.121 19.000 -0.011 0.000 0.816 739 A HN 0.579 nan 8.150 nan 0.000 0.447 740 F N 0.298 120.203 119.950 -0.075 0.000 2.084 740 F HA -0.105 4.422 4.527 -0.000 0.000 0.296 740 F C 1.741 177.525 175.800 -0.027 0.000 1.111 740 F CA 1.359 59.311 58.000 -0.080 0.000 1.224 740 F CB -0.298 38.629 39.000 -0.121 0.000 0.991 740 F HN 0.142 nan 8.300 nan 0.000 0.471 741 L N 0.351 121.614 121.223 0.068 0.000 2.261 741 L HA -0.124 4.216 4.340 -0.000 0.000 0.216 741 L C 2.496 179.366 176.870 0.001 0.000 1.114 741 L CA 1.694 56.524 54.840 -0.015 0.000 0.777 741 L CB -1.821 40.284 42.059 0.075 0.000 0.910 741 L HN 0.305 nan 8.230 nan 0.000 0.440 742 A N -1.758 121.063 122.820 0.002 0.000 1.903 742 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 742 A C 2.054 179.603 177.584 -0.059 0.000 1.185 742 A CA 0.596 52.637 52.037 0.006 0.000 0.628 742 A CB -0.462 18.552 19.000 0.024 0.000 0.830 742 A HN 0.244 nan 8.150 nan 0.000 0.446 743 L N 0.103 121.255 121.223 -0.118 0.000 2.127 743 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 743 L C 2.300 179.039 176.870 -0.219 0.000 1.089 743 L CA 2.494 57.233 54.840 -0.168 0.000 0.757 743 L CB -1.557 40.377 42.059 -0.209 0.000 0.899 743 L HN 0.803 nan 8.230 nan 0.000 0.434 744 H N -1.470 117.374 119.070 -0.377 0.000 2.395 744 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 744 H C 2.013 177.214 175.328 -0.212 0.000 1.070 744 H CA 1.715 57.538 56.048 -0.375 0.000 1.356 744 H CB 0.070 29.542 29.762 -0.484 0.000 1.401 744 H HN 0.324 nan 8.280 nan 0.000 0.524 745 D N 0.164 120.492 120.400 -0.120 0.000 2.149 745 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 745 D C 2.200 178.399 176.300 -0.167 0.000 0.990 745 D CA 1.470 55.404 54.000 -0.110 0.000 0.839 745 D CB -0.374 40.443 40.800 0.030 0.000 0.948 745 D HN 0.547 nan 8.370 nan 0.000 0.460 746 A N -0.665 122.069 122.820 -0.144 0.000 1.968 746 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 746 A C 2.491 179.983 177.584 -0.153 0.000 1.169 746 A CA 1.191 53.161 52.037 -0.112 0.000 0.638 746 A CB -0.761 18.192 19.000 -0.077 0.000 0.812 746 A HN 0.487 nan 8.150 nan 0.000 0.446 747 C N -0.923 118.231 119.300 -0.242 0.000 2.466 747 C HA 0.140 4.600 4.460 -0.000 0.000 0.278 747 C C 3.106 177.939 174.990 -0.261 0.000 1.288 747 C CA 0.562 59.434 59.018 -0.244 0.000 1.722 747 C CB -1.256 26.307 27.740 -0.295 0.000 2.017 747 C HN 0.690 nan 8.230 nan 0.000 0.488 748 A N 0.199 122.789 122.820 -0.383 0.000 2.216 748 A HA 0.266 4.586 4.320 -0.000 0.000 0.214 748 A C 2.046 179.546 177.584 -0.140 0.000 1.160 748 A CA 1.480 53.354 52.037 -0.273 0.000 0.725 748 A CB -0.415 18.404 19.000 -0.301 0.000 0.784 748 A HN 0.599 nan 8.150 nan 0.000 0.472 749 A N -1.986 120.761 122.820 -0.121 0.000 2.238 749 A HA 0.173 4.493 4.320 -0.000 0.000 0.210 749 A C 1.577 179.128 177.584 -0.055 0.000 1.179 749 A CA 0.866 52.864 52.037 -0.066 0.000 0.827 749 A CB -0.643 18.335 19.000 -0.037 0.000 0.856 749 A HN 0.548 nan 8.150 nan 0.000 0.488 750 C N -0.756 118.503 119.300 -0.069 0.000 2.697 750 C HA 0.542 5.002 4.460 -0.000 0.000 0.267 750 C C 1.407 176.366 174.990 -0.051 0.000 1.278 750 C CA 0.132 59.118 59.018 -0.053 0.000 1.708 750 C CB -1.170 26.538 27.740 -0.053 0.000 1.860 750 C HN 0.736 nan 8.230 nan 0.000 0.589 751 G N 0.372 109.135 108.800 -0.062 0.000 2.342 751 G HA2 0.410 4.370 3.960 -0.000 0.000 0.297 751 G HA3 0.410 4.370 3.960 -0.000 0.000 0.297 751 G C -2.835 172.001 174.900 -0.105 0.000 1.313 751 G CA -0.260 44.794 45.100 -0.077 0.000 0.830 751 G HN -0.156 nan 8.290 nan 0.000 0.506 752 P HA 0.212 nan 4.420 nan 0.000 0.261 752 P C -0.051 177.127 177.300 -0.203 0.000 1.268 752 P CA 0.264 63.228 63.100 -0.227 0.000 0.833 752 P CB 0.126 31.619 31.700 -0.345 0.000 1.231 753 H N -0.972 118.135 119.070 0.063 0.000 2.472 753 H HA 0.099 4.655 4.556 -0.000 0.000 0.335 753 H C -0.098 175.335 175.328 0.176 0.000 1.136 753 H CA -1.010 55.107 56.048 0.114 0.000 1.264 753 H CB 0.685 30.496 29.762 0.081 0.000 1.486 753 H HN 0.175 nan 8.280 nan 0.000 0.517 754 W N 5.273 126.663 121.300 0.150 0.000 2.520 754 W HA -0.010 4.650 4.660 -0.000 0.000 0.337 754 W C -1.995 174.549 176.519 0.042 0.000 1.406 754 W CA -1.287 56.101 57.345 0.071 0.000 1.318 754 W CB 0.442 29.934 29.460 0.053 0.000 1.338 754 W HN 0.516 nan 8.180 nan 0.000 0.570 755 P HA -0.151 nan 4.420 nan 0.000 0.229 755 P C 0.038 176.983 177.300 -0.591 0.000 1.160 755 P CA 1.245 64.086 63.100 -0.432 0.000 0.777 755 P CB 0.064 31.489 31.700 -0.457 0.000 0.814 756 D N -1.679 117.997 120.400 -1.205 0.000 2.686 756 D HA -0.171 4.469 4.640 -0.000 0.000 0.235 756 D C -0.424 175.668 176.300 -0.347 0.000 1.160 756 D CA 0.215 53.748 54.000 -0.778 0.000 0.645 756 D CB -1.176 39.455 40.800 -0.281 0.000 1.039 756 D HN 0.019 nan 8.370 nan 0.000 0.423 757 L N 1.030 122.024 121.223 -0.381 0.000 2.513 757 L HA 0.143 4.483 4.340 -0.000 0.000 0.272 757 L C 0.396 177.317 176.870 0.086 0.000 1.187 757 L CA 0.608 55.342 54.840 -0.178 0.000 0.895 757 L CB 0.645 42.522 42.059 -0.302 0.000 1.147 757 L HN 0.059 nan 8.230 nan 0.000 0.483 758 Q N 3.998 123.898 119.800 0.166 0.000 2.193 758 Q HA 0.725 5.065 4.340 -0.000 0.000 0.246 758 Q C -0.707 175.490 176.000 0.328 0.000 0.959 758 Q CA -0.541 55.439 55.803 0.295 0.000 0.904 758 Q CB 1.538 30.374 28.738 0.163 0.000 1.238 758 Q HN 0.807 nan 8.270 nan 0.000 0.469 759 A N 1.893 124.810 122.820 0.161 0.000 2.342 759 A HA 0.693 5.013 4.320 -0.000 0.000 0.323 759 A C -2.383 175.122 177.584 -0.132 0.000 1.125 759 A CA -1.608 50.371 52.037 -0.098 0.000 0.785 759 A CB 0.822 19.464 19.000 -0.596 0.000 1.221 759 A HN 0.378 nan 8.150 nan 0.000 0.463 760 P HA 0.317 nan 4.420 nan 0.000 0.280 760 P C -0.150 177.153 177.300 0.005 0.000 1.244 760 P CA -0.054 62.972 63.100 -0.124 0.000 0.784 760 P CB 1.278 32.915 31.700 -0.104 0.000 0.913 761 A N 2.749 125.620 122.820 0.085 0.000 3.077 761 A HA 0.285 4.605 4.320 -0.000 0.000 0.255 761 A C 0.959 178.546 177.584 0.005 0.000 1.728 761 A CA -0.150 51.942 52.037 0.092 0.000 1.383 761 A CB -1.502 17.587 19.000 0.148 0.000 1.097 761 A HN 0.596 nan 8.150 nan 0.000 0.634 762 T N -1.791 112.754 114.554 -0.015 0.000 2.748 762 T HA 0.262 4.612 4.350 -0.000 0.000 0.304 762 T C -1.512 173.168 174.700 -0.033 0.000 1.041 762 T CA -1.052 61.027 62.100 -0.035 0.000 1.033 762 T CB 0.243 69.090 68.868 -0.036 0.000 0.995 762 T HN 0.161 nan 8.240 nan 0.000 0.536 763 P HA -0.147 nan 4.420 nan 0.000 0.216 763 P C 1.518 178.800 177.300 -0.030 0.000 1.154 763 P CA 1.367 64.446 63.100 -0.035 0.000 0.865 763 P CB 0.030 31.710 31.700 -0.033 0.000 0.789 764 E N -0.527 119.659 120.200 -0.024 0.000 2.058 764 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 764 E C 1.964 178.553 176.600 -0.019 0.000 0.997 764 E CA 1.404 57.793 56.400 -0.018 0.000 0.801 764 E CB -0.564 29.129 29.700 -0.011 0.000 0.746 764 E HN 0.081 nan 8.360 nan 0.000 0.450 765 A N 0.307 123.117 122.820 -0.016 0.000 1.969 765 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 765 A C 2.359 179.922 177.584 -0.035 0.000 1.169 765 A CA 1.220 53.250 52.037 -0.013 0.000 0.635 765 A CB -0.440 18.564 19.000 0.007 0.000 0.810 765 A HN 0.233 nan 8.150 nan 0.000 0.445 766 V N -0.343 119.543 119.914 -0.046 0.000 2.427 766 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 766 V C 2.448 178.501 176.094 -0.069 0.000 1.051 766 V CA 1.818 64.075 62.300 -0.072 0.000 1.048 766 V CB -0.667 31.113 31.823 -0.072 0.000 0.666 766 V HN 0.582 nan 8.190 nan 0.000 0.456 767 L N 0.888 122.081 121.223 -0.049 0.000 2.093 767 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 767 L C 2.448 179.291 176.870 -0.044 0.000 1.085 767 L CA 2.257 57.071 54.840 -0.043 0.000 0.755 767 L CB -0.997 41.044 42.059 -0.030 0.000 0.904 767 L HN 0.224 nan 8.230 nan 0.000 0.435 768 A N -0.507 122.288 122.820 -0.041 0.000 1.902 768 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 768 A C 2.435 179.982 177.584 -0.061 0.000 1.181 768 A CA 1.797 53.811 52.037 -0.039 0.000 0.623 768 A CB -1.131 17.852 19.000 -0.028 0.000 0.818 768 A HN 0.540 nan 8.150 nan 0.000 0.443 769 A N -0.747 122.020 122.820 -0.088 0.000 1.969 769 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 769 A C 2.197 179.705 177.584 -0.126 0.000 1.169 769 A CA 1.566 53.521 52.037 -0.136 0.000 0.635 769 A CB -0.765 18.120 19.000 -0.192 0.000 0.810 769 A HN 0.347 nan 8.150 nan 0.000 0.445 770 V N 0.455 120.309 119.914 -0.100 0.000 2.295 770 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 770 V C 2.648 178.712 176.094 -0.051 0.000 1.049 770 V CA 2.224 64.476 62.300 -0.081 0.000 1.024 770 V CB -0.743 31.041 31.823 -0.064 0.000 0.648 770 V HN 0.560 nan 8.190 nan 0.000 0.447 771 R N -0.298 120.178 120.500 -0.040 0.000 2.115 771 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 771 R C 2.430 178.725 176.300 -0.008 0.000 1.111 771 R CA 1.046 57.134 56.100 -0.020 0.000 0.976 771 R CB -0.370 29.919 30.300 -0.018 0.000 0.870 771 R HN 0.465 nan 8.270 nan 0.000 0.445 772 R N 0.629 121.115 120.500 -0.023 0.000 2.092 772 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 772 R C 2.317 178.648 176.300 0.053 0.000 1.119 772 R CA 1.366 57.461 56.100 -0.008 0.000 0.970 772 R CB -0.242 30.033 30.300 -0.042 0.000 0.864 772 R HN 0.193 nan 8.270 nan 0.000 0.440 773 A N 0.860 123.691 122.820 0.019 0.000 1.929 773 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 773 A C 1.725 179.357 177.584 0.081 0.000 1.176 773 A CA 1.127 53.195 52.037 0.052 0.000 0.628 773 A CB -0.189 18.785 19.000 -0.044 0.000 0.816 773 A HN 0.276 nan 8.150 nan 0.000 0.444 774 E N -1.460 118.769 120.200 0.048 0.000 2.418 774 E HA 0.136 4.486 4.350 -0.000 0.000 0.197 774 E C 1.265 177.932 176.600 0.113 0.000 1.026 774 E CA 0.366 56.793 56.400 0.045 0.000 0.862 774 E CB -0.180 29.527 29.700 0.013 0.000 0.799 774 E HN 0.750 nan 8.360 nan 0.000 0.518 775 G N 1.608 110.516 108.800 0.180 0.000 2.162 775 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 775 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 775 G C 0.658 175.593 174.900 0.059 0.000 0.976 775 G CA 0.290 45.497 45.100 0.178 0.000 0.655 775 G HN 0.234 nan 8.290 nan 0.000 0.533 776 R N 0.436 120.959 120.500 0.037 0.000 2.541 776 R HA 0.518 4.858 4.340 -0.000 0.000 0.245 776 R C 1.218 177.519 176.300 0.002 0.000 1.154 776 R CA 0.829 56.938 56.100 0.015 0.000 1.179 776 R CB -0.536 29.769 30.300 0.008 0.000 1.189 776 R HN 1.757 nan 8.270 nan 0.000 0.526 777 A N 0.000 122.817 122.820 -0.006 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 777 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 777 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486