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_D 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 0.000 174.504 174.600 -0.160 0.000 1.055 2 S CA 0.000 58.119 58.200 -0.135 0.000 1.107 2 S CB 0.000 63.133 63.200 -0.112 0.000 0.593 3 V N 2.391 122.152 119.914 -0.255 0.000 2.763 3 V HA 0.452 4.594 4.120 0.037 0.000 0.306 3 V C 1.761 177.737 176.094 -0.197 0.000 1.059 3 V CA 1.859 63.986 62.300 -0.287 0.000 1.138 3 V CB 0.601 32.068 31.823 -0.592 0.000 0.940 3 V HN 0.921 nan 8.190 nan 0.000 0.489 4 G N 3.856 112.578 108.800 -0.129 0.000 2.217 4 G HA2 -0.206 3.776 3.960 0.037 0.000 0.246 4 G HA3 -0.206 3.776 3.960 0.037 0.000 0.246 4 G C 0.275 175.137 174.900 -0.064 0.000 0.990 4 G CA 0.074 45.122 45.100 -0.087 0.000 0.627 4 G HN 0.581 nan 8.290 nan 0.000 0.522 5 K N 1.405 121.765 120.400 -0.068 0.000 2.144 5 K HA 0.437 4.779 4.320 0.037 0.000 0.270 5 K C -2.398 174.181 176.600 -0.036 0.000 1.005 5 K CA -1.555 54.702 56.287 -0.050 0.000 0.932 5 K CB 1.763 34.231 32.500 -0.054 0.000 1.021 5 K HN 0.006 nan 8.250 nan 0.000 0.462 6 P HA 0.145 nan 4.420 nan 0.000 0.231 6 P C -0.724 176.571 177.300 -0.009 0.000 1.811 6 P CA -0.023 63.069 63.100 -0.014 0.000 1.051 6 P CB -0.081 31.612 31.700 -0.011 0.000 1.951 7 L N 3.568 124.784 121.223 -0.012 0.000 2.375 7 L HA 0.424 4.786 4.340 0.037 0.000 0.271 7 L C -1.484 175.393 176.870 0.012 0.000 1.107 7 L CA -2.417 52.420 54.840 -0.005 0.000 0.806 7 L CB 0.310 42.359 42.059 -0.017 0.000 1.146 7 L HN 0.063 nan 8.230 nan 0.000 0.447 8 P HA -0.082 nan 4.420 nan 0.000 0.270 8 P C -0.522 176.827 177.300 0.082 0.000 1.227 8 P CA -0.151 62.984 63.100 0.058 0.000 0.788 8 P CB 0.358 32.087 31.700 0.048 0.000 0.926 9 H N 2.197 121.273 119.070 0.010 0.000 2.972 9 H HA -0.077 4.500 4.556 0.035 0.000 0.343 9 H C 1.393 176.705 175.328 -0.026 0.000 1.054 9 H CA 0.838 56.892 56.048 0.011 0.000 1.412 9 H CB 0.539 30.325 29.762 0.040 0.000 1.385 9 H HN 0.545 nan 8.280 nan 0.000 0.600 10 D N 1.992 122.332 120.400 -0.100 0.000 2.271 10 D HA -0.141 4.521 4.640 0.037 0.000 0.207 10 D C 0.328 176.664 176.300 0.060 0.000 0.983 10 D CA 1.010 55.006 54.000 -0.007 0.000 0.878 10 D CB 0.129 40.910 40.800 -0.031 0.000 0.920 10 D HN 0.237 nan 8.370 nan 0.000 0.479 11 S N -0.516 115.305 115.700 0.200 0.000 2.664 11 S HA 0.475 4.967 4.470 0.037 0.000 0.245 11 S C 1.478 175.784 174.600 -0.491 0.000 1.019 11 S CA -0.011 58.092 58.200 -0.161 0.000 0.996 11 S CB 1.013 64.073 63.200 -0.233 0.000 0.878 11 S HN 0.463 nan 8.310 nan 0.000 0.493 12 A N 2.568 125.266 122.820 -0.204 0.000 1.873 12 A HA -0.182 4.160 4.320 0.037 0.000 0.218 12 A C 2.055 179.586 177.584 -0.089 0.000 1.193 12 A CA 1.640 53.590 52.037 -0.145 0.000 0.629 12 A CB -0.487 18.518 19.000 0.008 0.000 0.826 12 A HN 0.467 nan 8.150 nan 0.000 0.447 13 R N -0.612 119.854 120.500 -0.056 0.000 2.096 13 R HA -0.101 4.261 4.340 0.037 0.000 0.235 13 R C 2.214 178.509 176.300 -0.008 0.000 1.127 13 R CA 1.354 57.444 56.100 -0.016 0.000 0.968 13 R CB -0.352 29.942 30.300 -0.009 0.000 0.861 13 R HN 0.476 nan 8.270 nan 0.000 0.440 14 A N -0.556 122.236 122.820 -0.047 0.000 2.066 14 A HA -0.116 4.226 4.320 0.037 0.000 0.218 14 A C 1.554 179.210 177.584 0.119 0.000 1.157 14 A CA 1.052 53.092 52.037 0.005 0.000 0.670 14 A CB -0.523 18.462 19.000 -0.026 0.000 0.804 14 A HN 0.512 nan 8.150 nan 0.000 0.453 15 H N -2.050 117.043 119.070 0.037 0.000 2.333 15 H HA -0.017 4.560 4.556 0.034 0.000 0.302 15 H C 1.996 177.358 175.328 0.055 0.000 1.075 15 H CA 1.070 57.153 56.048 0.057 0.000 1.348 15 H CB 0.174 29.948 29.762 0.020 0.000 1.393 15 H HN 0.288 nan 8.280 nan 0.000 0.509 16 V N 1.042 121.065 119.914 0.183 0.000 2.871 16 V HA -0.128 4.014 4.120 0.037 0.000 0.256 16 V C 1.943 178.087 176.094 0.084 0.000 1.082 16 V CA 2.014 64.382 62.300 0.114 0.000 1.105 16 V CB -0.111 31.764 31.823 0.087 0.000 0.713 16 V HN 0.628 nan 8.190 nan 0.000 0.473 17 T N -3.420 111.182 114.554 0.079 0.000 3.105 17 T HA 0.339 4.711 4.350 0.037 0.000 0.253 17 T C 1.318 176.059 174.700 0.068 0.000 1.047 17 T CA 0.521 62.657 62.100 0.060 0.000 0.944 17 T CB 0.568 69.463 68.868 0.044 0.000 1.016 17 T HN 0.865 nan 8.240 nan 0.000 0.544 18 G N 1.616 110.473 108.800 0.096 0.000 2.176 18 G HA2 -0.273 3.709 3.960 0.037 0.000 0.252 18 G HA3 -0.273 3.709 3.960 0.037 0.000 0.252 18 G C 0.430 175.386 174.900 0.093 0.000 1.024 18 G CA 0.415 45.576 45.100 0.101 0.000 0.755 18 G HN 0.579 nan 8.290 nan 0.000 0.507 19 Q N -0.775 119.078 119.800 0.089 0.000 2.317 19 Q HA 0.505 4.867 4.340 0.037 0.000 0.220 19 Q C 1.559 177.589 176.000 0.049 0.000 0.873 19 Q CA 0.437 56.274 55.803 0.057 0.000 0.936 19 Q CB 0.732 29.489 28.738 0.032 0.000 1.105 19 Q HN 0.845 nan 8.270 nan 0.000 0.520 20 A N 1.695 124.565 122.820 0.084 0.000 2.454 20 A HA 0.233 4.575 4.320 0.037 0.000 0.260 20 A C -0.345 177.188 177.584 -0.084 0.000 1.106 20 A CA -0.069 51.968 52.037 -0.000 0.000 0.780 20 A CB 0.150 19.209 19.000 0.098 0.000 1.044 20 A HN 0.195 nan 8.150 nan 0.000 0.498 21 R N 1.558 121.965 120.500 -0.155 0.000 2.357 21 R HA 0.460 4.822 4.340 0.037 0.000 0.296 21 R C -1.190 174.904 176.300 -0.345 0.000 1.052 21 R CA -0.029 55.994 56.100 -0.129 0.000 0.988 21 R CB 0.689 30.942 30.300 -0.078 0.000 1.025 21 R HN 0.743 nan 8.270 nan 0.000 0.469 22 Y N 0.758 121.060 120.300 0.003 0.000 2.596 22 Y HA 0.147 4.721 4.550 0.040 0.000 0.326 22 Y C 1.486 177.371 175.900 -0.024 0.000 1.167 22 Y CA -0.788 57.307 58.100 -0.009 0.000 1.246 22 Y CB 0.641 39.090 38.460 -0.018 0.000 1.347 22 Y HN 0.441 nan 8.280 nan 0.000 0.515 23 L N 0.614 121.915 121.223 0.130 0.000 2.021 23 L HA -0.275 4.087 4.340 0.037 0.000 0.215 23 L C 1.619 178.498 176.870 0.015 0.000 1.074 23 L CA 2.280 57.145 54.840 0.042 0.000 0.760 23 L CB -0.226 41.846 42.059 0.020 0.000 0.889 23 L HN 0.802 nan 8.230 nan 0.000 0.433 24 D N -0.856 119.558 120.400 0.024 0.000 2.371 24 D HA -0.146 4.516 4.640 0.037 0.000 0.221 24 D C 1.305 177.615 176.300 0.017 0.000 0.986 24 D CA 0.774 54.775 54.000 0.002 0.000 0.899 24 D CB -0.013 40.773 40.800 -0.023 0.000 0.902 24 D HN 0.494 nan 8.370 nan 0.000 0.530 25 D N -0.463 119.963 120.400 0.043 0.000 2.346 25 D HA 0.007 4.669 4.640 0.037 0.000 0.206 25 D C 0.657 176.956 176.300 -0.001 0.000 1.001 25 D CA -0.030 53.992 54.000 0.036 0.000 0.871 25 D CB 0.155 41.001 40.800 0.076 0.000 0.943 25 D HN 0.300 nan 8.370 nan 0.000 0.518 26 L N 2.534 123.738 121.223 -0.032 0.000 2.540 26 L HA 0.085 4.447 4.340 0.037 0.000 0.276 26 L C -1.990 174.842 176.870 -0.064 0.000 1.212 26 L CA -1.179 53.614 54.840 -0.078 0.000 0.893 26 L CB -0.546 41.416 42.059 -0.162 0.000 1.138 26 L HN -0.263 nan 8.230 nan 0.000 0.491 27 P HA 0.156 nan 4.420 nan 0.000 0.276 27 P C -0.931 176.338 177.300 -0.052 0.000 1.230 27 P CA -0.485 62.592 63.100 -0.039 0.000 0.776 27 P CB 0.655 32.333 31.700 -0.036 0.000 0.888 28 C N 2.330 121.611 119.300 -0.032 0.000 2.971 28 C HA 0.752 5.234 4.460 0.037 0.000 0.310 28 C C -2.508 172.472 174.990 -0.016 0.000 1.285 28 C CA -2.509 56.487 59.018 -0.037 0.000 1.593 28 C CB 0.267 27.976 27.740 -0.051 0.000 2.076 28 C HN 0.371 nan 8.230 nan 0.000 0.472 29 P HA 0.308 nan 4.420 nan 0.000 0.269 29 P C 0.765 178.069 177.300 0.008 0.000 1.209 29 P CA 0.151 63.248 63.100 -0.005 0.000 0.776 29 P CB 0.451 32.147 31.700 -0.006 0.000 0.876 30 A N 2.932 125.762 122.820 0.016 0.000 2.032 30 A HA -0.222 4.120 4.320 0.037 0.000 0.221 30 A C 1.499 179.104 177.584 0.035 0.000 1.165 30 A CA 1.919 53.974 52.037 0.029 0.000 0.645 30 A CB -1.111 17.903 19.000 0.024 0.000 0.807 30 A HN 0.748 nan 8.150 nan 0.000 0.453 31 N N -0.221 118.492 118.700 0.023 0.000 2.362 31 N HA 0.014 4.776 4.740 0.037 0.000 0.204 31 N C -0.458 175.061 175.510 0.014 0.000 1.166 31 N CA 0.474 53.539 53.050 0.025 0.000 0.831 31 N CB -0.994 37.505 38.487 0.020 0.000 1.008 31 N HN 0.132 nan 8.380 nan 0.000 0.472 32 T N 1.836 116.388 114.554 -0.003 0.000 2.853 32 T HA 0.173 4.545 4.350 0.037 0.000 0.298 32 T C 0.536 175.172 174.700 -0.107 0.000 0.978 32 T CA -0.209 61.849 62.100 -0.070 0.000 1.152 32 T CB 0.717 69.524 68.868 -0.101 0.000 0.914 32 T HN 0.152 nan 8.240 nan 0.000 0.539 33 L N 3.837 124.986 121.223 -0.123 0.000 2.399 33 L HA 0.407 4.769 4.340 0.037 0.000 0.266 33 L C 0.695 177.405 176.870 -0.266 0.000 1.114 33 L CA -0.826 53.972 54.840 -0.071 0.000 0.804 33 L CB 0.572 42.639 42.059 0.013 0.000 1.146 33 L HN 0.595 nan 8.230 nan 0.000 0.451 34 H N 3.043 122.149 119.070 0.061 0.000 2.495 34 H HA 0.586 5.166 4.556 0.040 0.000 0.348 34 H C -0.758 174.613 175.328 0.073 0.000 1.113 34 H CA -0.582 55.510 56.048 0.074 0.000 1.195 34 H CB 2.154 31.983 29.762 0.113 0.000 1.521 34 H HN 0.340 nan 8.280 nan 0.000 0.509 35 L N 1.041 122.350 121.223 0.144 0.000 2.301 35 L HA 0.884 5.246 4.340 0.037 0.000 0.264 35 L C -0.215 176.671 176.870 0.027 0.000 1.016 35 L CA -1.180 53.697 54.840 0.061 0.000 0.821 35 L CB 2.032 44.068 42.059 -0.038 0.000 1.346 35 L HN 0.608 nan 8.230 nan 0.000 0.429 36 A N 0.511 123.314 122.820 -0.029 0.000 2.589 36 A HA 0.692 5.034 4.320 0.037 0.000 0.296 36 A C -1.460 176.090 177.584 -0.056 0.000 1.062 36 A CA -0.449 51.554 52.037 -0.057 0.000 0.686 36 A CB 1.037 20.039 19.000 0.003 0.000 1.282 36 A HN 0.538 nan 8.150 nan 0.000 0.404 37 F N 1.172 121.117 119.950 -0.008 0.000 2.399 37 F HA 0.488 5.039 4.527 0.040 0.000 0.342 37 F C 1.425 176.998 175.800 -0.377 0.000 1.106 37 F CA -0.110 57.795 58.000 -0.158 0.000 1.196 37 F CB 1.606 40.552 39.000 -0.091 0.000 1.163 37 F HN 0.716 nan 8.300 nan 0.000 0.547 38 G N 4.088 112.480 108.800 -0.681 0.000 2.338 38 G HA2 0.563 4.545 3.960 0.037 0.000 0.298 38 G HA3 0.563 4.545 3.960 0.037 0.000 0.298 38 G C -0.963 173.643 174.900 -0.490 0.000 1.140 38 G CA -0.587 43.937 45.100 -0.961 0.000 0.860 38 G HN 0.513 nan 8.290 nan 0.000 0.470 39 L N 1.276 122.356 121.223 -0.238 0.000 2.322 39 L HA 0.512 4.874 4.340 0.037 0.000 0.269 39 L C 0.885 177.679 176.870 -0.127 0.000 1.012 39 L CA -1.041 53.675 54.840 -0.206 0.000 0.815 39 L CB 1.925 43.869 42.059 -0.192 0.000 1.295 39 L HN 0.555 nan 8.230 nan 0.000 0.438 40 S N -0.199 115.382 115.700 -0.199 0.000 2.562 40 S HA 0.095 4.587 4.470 0.037 0.000 0.281 40 S C 0.789 175.290 174.600 -0.164 0.000 1.333 40 S CA -0.174 57.951 58.200 -0.126 0.000 1.052 40 S CB 0.507 63.534 63.200 -0.289 0.000 0.884 40 S HN 0.742 nan 8.310 nan 0.000 0.506 41 T N 1.447 115.914 114.554 -0.144 0.000 3.176 41 T HA 0.380 4.752 4.350 0.037 0.000 0.263 41 T C -0.196 174.289 174.700 -0.359 0.000 1.021 41 T CA -0.454 61.520 62.100 -0.210 0.000 0.905 41 T CB -0.046 68.749 68.868 -0.121 0.000 1.057 41 T HN 0.504 nan 8.240 nan 0.000 0.558 42 E N 0.535 120.453 120.200 -0.470 0.000 2.266 42 E HA 0.650 5.022 4.350 0.037 0.000 0.268 42 E C 0.414 176.839 176.600 -0.291 0.000 0.879 42 E CA -0.627 55.497 56.400 -0.460 0.000 0.762 42 E CB 2.027 31.290 29.700 -0.728 0.000 1.199 42 E HN 0.134 nan 8.360 nan 0.000 0.422 43 A N 1.700 124.405 122.820 -0.193 0.000 2.067 43 A HA 0.019 4.361 4.320 0.037 0.000 0.217 43 A C 0.862 178.383 177.584 -0.104 0.000 1.156 43 A CA 0.862 52.834 52.037 -0.109 0.000 0.683 43 A CB 0.326 19.288 19.000 -0.062 0.000 0.808 43 A HN 0.263 nan 8.150 nan 0.000 0.455 44 S N -1.695 113.918 115.700 -0.145 0.000 2.481 44 S HA 0.563 5.055 4.470 0.037 0.000 0.262 44 S C -0.892 173.629 174.600 -0.132 0.000 1.061 44 S CA 0.235 58.354 58.200 -0.134 0.000 1.039 44 S CB 0.160 63.319 63.200 -0.069 0.000 1.170 44 S HN 1.582 nan 8.310 nan 0.000 0.437 45 A N 2.767 125.501 122.820 -0.144 0.000 2.586 45 A HA 0.914 5.256 4.320 0.037 0.000 0.291 45 A C -0.702 176.866 177.584 -0.027 0.000 1.062 45 A CA -0.192 51.810 52.037 -0.059 0.000 0.666 45 A CB 0.666 19.646 19.000 -0.033 0.000 1.281 45 A HN 1.602 nan 8.150 nan 0.000 0.421 46 A N 0.455 123.284 122.820 0.015 0.000 2.304 46 A HA 0.727 5.069 4.320 0.037 0.000 0.301 46 A C -0.273 177.336 177.584 0.041 0.000 1.132 46 A CA -0.398 51.643 52.037 0.008 0.000 0.819 46 A CB 0.119 19.121 19.000 0.004 0.000 1.094 46 A HN 0.770 nan 8.150 nan 0.000 0.492 47 I N 1.695 122.267 120.570 0.002 0.000 2.371 47 I HA 0.161 4.353 4.170 0.037 0.000 0.290 47 I C 1.054 177.128 176.117 -0.072 0.000 1.028 47 I CA 0.019 61.280 61.300 -0.065 0.000 1.345 47 I CB 1.515 39.462 38.000 -0.087 0.000 1.407 47 I HN 0.776 nan 8.210 nan 0.000 0.501 48 T N 3.878 118.370 114.554 -0.102 0.000 2.990 48 T HA 0.257 4.629 4.350 0.037 0.000 0.249 48 T C 0.402 175.055 174.700 -0.077 0.000 1.039 48 T CA 0.155 62.216 62.100 -0.065 0.000 1.036 48 T CB 0.413 69.256 68.868 -0.042 0.000 0.994 48 T HN 0.817 nan 8.240 nan 0.000 0.489 49 G N 0.590 109.319 108.800 -0.119 0.000 2.704 49 G HA2 0.582 4.564 3.960 0.037 0.000 0.293 49 G HA3 0.582 4.564 3.960 0.037 0.000 0.293 49 G C -2.323 172.489 174.900 -0.146 0.000 1.421 49 G CA -0.431 44.603 45.100 -0.109 0.000 0.870 49 G HN 0.110 nan 8.290 nan 0.000 0.492 50 L N 1.457 122.606 121.223 -0.123 0.000 2.487 50 L HA 0.429 4.791 4.340 0.037 0.000 0.261 50 L C -1.389 175.396 176.870 -0.141 0.000 1.223 50 L CA -0.823 53.933 54.840 -0.139 0.000 0.883 50 L CB 1.412 43.402 42.059 -0.115 0.000 1.065 50 L HN 0.541 nan 8.230 nan 0.000 0.488 51 D N 3.242 123.558 120.400 -0.140 0.000 2.365 51 D HA 0.286 4.948 4.640 0.037 0.000 0.237 51 D C 0.697 176.887 176.300 -0.182 0.000 1.190 51 D CA 0.050 53.970 54.000 -0.133 0.000 0.867 51 D CB 0.843 41.585 40.800 -0.097 0.000 1.050 51 D HN 0.577 nan 8.370 nan 0.000 0.491 52 L N 2.976 124.074 121.223 -0.208 0.000 2.640 52 L HA 0.154 4.516 4.340 0.037 0.000 0.230 52 L C 1.767 178.530 176.870 -0.178 0.000 1.123 52 L CA -0.167 54.506 54.840 -0.277 0.000 0.900 52 L CB 0.170 42.028 42.059 -0.335 0.000 1.146 52 L HN 0.316 nan 8.230 nan 0.000 0.484 53 E N 1.628 121.752 120.200 -0.126 0.000 2.049 53 E HA -0.192 4.180 4.350 0.037 0.000 0.198 53 E C -0.703 175.853 176.600 -0.073 0.000 1.007 53 E CA 1.913 58.259 56.400 -0.089 0.000 0.809 53 E CB -0.840 28.818 29.700 -0.069 0.000 0.749 53 E HN 0.246 nan 8.360 nan 0.000 0.450 54 P HA -0.136 nan 4.420 nan 0.000 0.219 54 P C 1.185 178.461 177.300 -0.039 0.000 1.146 54 P CA 0.965 64.038 63.100 -0.044 0.000 0.808 54 P CB 0.076 31.753 31.700 -0.038 0.000 0.779 55 V N 0.145 120.017 119.914 -0.071 0.000 2.283 55 V HA -0.192 3.950 4.120 0.037 0.000 0.243 55 V C 2.417 178.493 176.094 -0.030 0.000 1.039 55 V CA 1.677 63.950 62.300 -0.045 0.000 1.016 55 V CB -1.035 30.722 31.823 -0.110 0.000 0.650 55 V HN 0.066 nan 8.190 nan 0.000 0.449 56 R N 0.129 120.593 120.500 -0.059 0.000 2.152 56 R HA -0.155 4.207 4.340 0.037 0.000 0.232 56 R C 2.044 178.329 176.300 -0.026 0.000 1.117 56 R CA 1.395 57.468 56.100 -0.045 0.000 0.981 56 R CB -0.228 30.034 30.300 -0.064 0.000 0.870 56 R HN 0.633 nan 8.270 nan 0.000 0.451 57 E N 0.317 120.502 120.200 -0.025 0.000 2.442 57 E HA 0.026 4.398 4.350 0.037 0.000 0.195 57 E C 0.309 176.907 176.600 -0.004 0.000 1.030 57 E CA -0.169 56.221 56.400 -0.015 0.000 0.869 57 E CB 0.356 30.044 29.700 -0.018 0.000 0.857 57 E HN 0.004 nan 8.360 nan 0.000 0.505 58 S N 1.807 117.508 115.700 0.002 0.000 2.558 58 S HA 0.048 4.540 4.470 0.037 0.000 0.288 58 S C -2.347 172.262 174.600 0.015 0.000 1.318 58 S CA -1.446 56.761 58.200 0.012 0.000 1.056 58 S CB 0.407 63.621 63.200 0.024 0.000 0.853 58 S HN -0.131 nan 8.310 nan 0.000 0.505 59 P HA 0.205 nan 4.420 nan 0.000 0.266 59 P C 0.805 178.118 177.300 0.022 0.000 1.195 59 P CA 0.791 63.901 63.100 0.016 0.000 0.768 59 P CB 0.167 31.875 31.700 0.013 0.000 0.838 60 G N 1.029 109.843 108.800 0.024 0.000 2.189 60 G HA2 -0.232 3.750 3.960 0.037 0.000 0.267 60 G HA3 -0.232 3.750 3.960 0.037 0.000 0.267 60 G C 0.161 175.087 174.900 0.044 0.000 0.975 60 G CA 0.025 45.146 45.100 0.034 0.000 0.644 60 G HN 0.537 nan 8.290 nan 0.000 0.537 61 V N 1.445 121.381 119.914 0.038 0.000 2.649 61 V HA 0.438 4.580 4.120 0.037 0.000 0.292 61 V C 1.470 177.585 176.094 0.034 0.000 1.055 61 V CA -0.092 62.235 62.300 0.044 0.000 1.023 61 V CB 1.525 33.370 31.823 0.038 0.000 0.992 61 V HN 0.168 nan 8.190 nan 0.000 0.480 62 I N 2.178 122.775 120.570 0.044 0.000 3.971 62 I HA 0.421 4.613 4.170 0.037 0.000 0.303 62 I C 0.728 176.846 176.117 0.002 0.000 1.233 62 I CA 0.721 62.041 61.300 0.032 0.000 1.346 62 I CB 0.434 38.468 38.000 0.057 0.000 1.273 62 I HN 0.672 nan 8.210 nan 0.000 0.448 63 A N 0.699 123.518 122.820 -0.001 0.000 2.574 63 A HA 0.719 5.061 4.320 0.037 0.000 0.297 63 A C -1.334 176.160 177.584 -0.150 0.000 1.062 63 A CA -0.343 51.609 52.037 -0.141 0.000 0.686 63 A CB 2.002 20.909 19.000 -0.155 0.000 1.285 63 A HN -0.165 nan 8.150 nan 0.000 0.403 64 V N 1.268 120.983 119.914 -0.332 0.000 2.656 64 V HA 0.750 4.892 4.120 0.037 0.000 0.307 64 V C -1.218 174.664 176.094 -0.354 0.000 1.051 64 V CA -0.347 61.865 62.300 -0.147 0.000 0.893 64 V CB 1.536 33.311 31.823 -0.080 0.000 0.999 64 V HN 0.759 nan 8.190 nan 0.000 0.426 65 F N 1.003 121.058 119.950 0.175 0.000 2.588 65 F HA 0.791 5.340 4.527 0.038 0.000 0.314 65 F C 0.376 176.295 175.800 0.199 0.000 1.069 65 F CA -0.506 57.587 58.000 0.155 0.000 0.931 65 F CB 2.623 41.717 39.000 0.157 0.000 1.260 65 F HN 0.359 nan 8.300 nan 0.000 0.465 66 T N -0.012 114.748 114.554 0.344 0.000 2.883 66 T HA 0.527 4.899 4.350 0.037 0.000 0.296 66 T C 0.721 175.540 174.700 0.199 0.000 1.117 66 T CA 0.000 62.242 62.100 0.236 0.000 1.006 66 T CB 1.835 70.782 68.868 0.132 0.000 1.191 66 T HN 0.694 nan 8.240 nan 0.000 0.508 67 A N 1.129 124.039 122.820 0.149 0.000 1.927 67 A HA -0.030 4.312 4.320 0.037 0.000 0.220 67 A C 2.422 180.066 177.584 0.101 0.000 1.185 67 A CA 2.496 54.604 52.037 0.118 0.000 0.639 67 A CB -1.160 17.898 19.000 0.096 0.000 0.820 67 A HN 0.978 nan 8.150 nan 0.000 0.451 68 A N -0.082 122.790 122.820 0.087 0.000 1.978 68 A HA -0.190 4.152 4.320 0.037 0.000 0.220 68 A C 1.574 179.204 177.584 0.077 0.000 1.170 68 A CA 1.728 53.803 52.037 0.065 0.000 0.636 68 A CB -0.498 18.528 19.000 0.044 0.000 0.810 68 A HN 0.561 nan 8.150 nan 0.000 0.448 69 D N -0.249 120.226 120.400 0.126 0.000 2.363 69 D HA 0.055 4.717 4.640 0.037 0.000 0.220 69 D C 0.319 176.715 176.300 0.160 0.000 0.994 69 D CA 0.199 54.301 54.000 0.170 0.000 0.890 69 D CB -0.139 40.832 40.800 0.286 0.000 0.906 69 D HN 0.396 nan 8.370 nan 0.000 0.530 70 L N 2.325 123.620 121.223 0.120 0.000 2.433 70 L HA 0.060 4.422 4.340 0.037 0.000 0.275 70 L C -1.074 175.814 176.870 0.029 0.000 1.128 70 L CA -1.190 53.702 54.840 0.086 0.000 0.875 70 L CB 0.604 42.713 42.059 0.083 0.000 1.171 70 L HN -0.237 nan 8.230 nan 0.000 0.463 71 P HA -0.070 nan 4.420 nan 0.000 0.222 71 P C -0.040 176.969 177.300 -0.485 0.000 1.147 71 P CA 1.481 64.478 63.100 -0.171 0.000 0.790 71 P CB 0.343 32.017 31.700 -0.044 0.000 0.780 72 H N -3.316 115.789 119.070 0.057 0.000 4.960 72 H HA 0.228 4.806 4.556 0.036 0.000 0.292 72 H C -0.402 174.957 175.328 0.052 0.000 1.262 72 H CA -0.713 55.368 56.048 0.054 0.000 0.299 72 H CB -0.665 29.135 29.762 0.064 0.000 1.459 72 H HN -0.325 nan 8.280 nan 0.000 0.506 73 D N 1.218 121.749 120.400 0.219 0.000 2.488 73 D HA 0.053 4.715 4.640 0.037 0.000 0.238 73 D C -0.151 176.208 176.300 0.099 0.000 1.138 73 D CA 0.418 54.492 54.000 0.124 0.000 0.873 73 D CB 0.264 41.132 40.800 0.113 0.000 1.183 73 D HN 0.290 nan 8.370 nan 0.000 0.458 74 N N 2.301 121.045 118.700 0.073 0.000 3.012 74 N HA 0.154 4.916 4.740 0.037 0.000 0.270 74 N C -1.850 173.688 175.510 0.046 0.000 1.469 74 N CA -0.535 52.553 53.050 0.064 0.000 0.928 74 N CB 0.102 38.633 38.487 0.074 0.000 1.219 74 N HN 0.201 nan 8.380 nan 0.000 0.492 75 D N 0.712 121.126 120.400 0.024 0.000 2.470 75 D HA 0.395 5.057 4.640 0.037 0.000 0.233 75 D C -0.458 175.811 176.300 -0.051 0.000 1.372 75 D CA -0.456 53.542 54.000 -0.003 0.000 0.994 75 D CB 1.280 42.087 40.800 0.012 0.000 1.377 75 D HN 0.239 nan 8.370 nan 0.000 0.586 76 A N 2.673 125.419 122.820 -0.123 0.000 2.390 76 A HA 0.254 4.596 4.320 0.037 0.000 0.232 76 A C 1.015 178.540 177.584 -0.098 0.000 1.233 76 A CA -0.074 51.854 52.037 -0.181 0.000 0.907 76 A CB 0.152 18.837 19.000 -0.526 0.000 0.967 76 A HN 0.398 nan 8.150 nan 0.000 0.512 77 S N 1.344 116.994 115.700 -0.084 0.000 2.560 77 S HA 0.226 4.718 4.470 0.037 0.000 0.284 77 S C -1.401 173.148 174.600 -0.085 0.000 1.327 77 S CA -0.616 57.532 58.200 -0.087 0.000 1.055 77 S CB 0.696 63.829 63.200 -0.111 0.000 0.868 77 S HN 0.293 nan 8.310 nan 0.000 0.506 78 P HA 0.301 nan 4.420 nan 0.000 0.257 78 P C -0.387 176.881 177.300 -0.052 0.000 1.281 78 P CA 0.064 63.128 63.100 -0.060 0.000 0.826 78 P CB -0.059 31.642 31.700 0.002 0.000 1.237 79 A N 0.286 123.064 122.820 -0.069 0.000 2.486 79 A HA 0.665 5.007 4.320 0.037 0.000 0.289 79 A C -1.976 175.578 177.584 -0.051 0.000 1.176 79 A CA -1.561 50.442 52.037 -0.056 0.000 0.757 79 A CB 0.302 19.252 19.000 -0.084 0.000 1.337 79 A HN -0.258 nan 8.150 nan 0.000 0.423 80 P HA -0.069 nan 4.420 nan 0.000 0.215 80 P C 0.459 177.744 177.300 -0.025 0.000 1.153 80 P CA 1.550 64.641 63.100 -0.016 0.000 0.853 80 P CB -0.061 31.637 31.700 -0.003 0.000 0.788 81 S N 0.086 115.762 115.700 -0.040 0.000 2.548 81 S HA 0.341 4.833 4.470 0.037 0.000 0.277 81 S C -2.420 172.144 174.600 -0.060 0.000 1.315 81 S CA -1.384 56.794 58.200 -0.036 0.000 1.050 81 S CB -0.088 63.098 63.200 -0.024 0.000 0.918 81 S HN -0.015 nan 8.310 nan 0.000 0.497 82 P HA 0.385 nan 4.420 nan 0.000 0.276 82 P C -0.799 176.464 177.300 -0.063 0.000 1.252 82 P CA -0.529 62.551 63.100 -0.034 0.000 0.802 82 P CB 0.452 32.155 31.700 0.005 0.000 1.035 83 E N 1.368 121.538 120.200 -0.050 0.000 2.432 83 E HA 0.258 4.630 4.350 0.037 0.000 0.272 83 E C -2.615 174.042 176.600 0.096 0.000 0.937 83 E CA -2.402 53.970 56.400 -0.047 0.000 0.812 83 E CB 1.349 30.930 29.700 -0.197 0.000 1.377 83 E HN 0.258 nan 8.360 nan 0.000 0.399 84 P HA -0.048 nan 4.420 nan 0.000 0.270 84 P C 0.452 177.842 177.300 0.149 0.000 1.227 84 P CA -0.177 63.025 63.100 0.170 0.000 0.788 84 P CB 1.385 33.214 31.700 0.216 0.000 0.926 85 V N 0.505 120.454 119.914 0.058 0.000 2.690 85 V HA 0.060 4.202 4.120 0.037 0.000 0.240 85 V C 1.099 177.214 176.094 0.034 0.000 1.078 85 V CA 1.038 63.343 62.300 0.009 0.000 1.102 85 V CB -0.283 31.540 31.823 -0.001 0.000 0.800 85 V HN 0.339 nan 8.190 nan 0.000 0.479 86 L N 0.737 121.997 121.223 0.062 0.000 2.317 86 L HA 0.699 5.061 4.340 0.037 0.000 0.281 86 L C 0.336 177.249 176.870 0.072 0.000 1.024 86 L CA -0.694 54.175 54.840 0.049 0.000 0.810 86 L CB 1.349 43.473 42.059 0.108 0.000 1.240 86 L HN 0.158 nan 8.230 nan 0.000 0.427 87 A N 1.395 124.239 122.820 0.040 0.000 2.567 87 A HA 0.230 4.572 4.320 0.037 0.000 0.240 87 A C 0.696 178.328 177.584 0.080 0.000 1.053 87 A CA 0.193 52.265 52.037 0.059 0.000 0.755 87 A CB -0.255 18.744 19.000 -0.000 0.000 0.978 87 A HN 0.757 nan 8.150 nan 0.000 0.507 88 T N 0.721 115.340 114.554 0.107 0.000 3.400 88 T HA 0.517 4.889 4.350 0.037 0.000 0.364 88 T C 1.099 175.847 174.700 0.080 0.000 1.636 88 T CA 0.383 62.539 62.100 0.095 0.000 1.211 88 T CB -0.086 68.849 68.868 0.112 0.000 1.180 88 T HN 2.373 nan 8.240 nan 0.000 0.730 89 G N 2.163 110.993 108.800 0.049 0.000 2.225 89 G HA2 -0.208 3.774 3.960 0.037 0.000 0.254 89 G HA3 -0.208 3.774 3.960 0.037 0.000 0.254 89 G C -0.179 174.728 174.900 0.011 0.000 0.988 89 G CA 0.299 45.416 45.100 0.028 0.000 0.625 89 G HN 1.022 nan 8.290 nan 0.000 0.527 90 E N -1.334 118.869 120.200 0.005 0.000 2.454 90 E HA 0.729 5.101 4.350 0.037 0.000 0.279 90 E C -0.607 175.912 176.600 -0.136 0.000 1.029 90 E CA -0.774 55.583 56.400 -0.072 0.000 0.831 90 E CB 2.300 31.933 29.700 -0.112 0.000 1.405 90 E HN 1.135 nan 8.360 nan 0.000 0.463 91 V N -2.332 117.412 119.914 -0.284 0.000 3.007 91 V HA 0.506 4.648 4.120 0.037 0.000 0.311 91 V C -0.488 175.304 176.094 -0.504 0.000 1.120 91 V CA -0.678 61.439 62.300 -0.305 0.000 0.980 91 V CB 1.816 33.519 31.823 -0.201 0.000 1.033 91 V HN 0.925 nan 8.190 nan 0.000 0.429 92 H N 2.790 121.705 119.070 -0.258 0.000 3.078 92 H HA 0.431 5.009 4.556 0.036 0.000 0.263 92 H C -0.531 174.777 175.328 -0.032 0.000 1.177 92 H CA 0.573 56.565 56.048 -0.094 0.000 1.128 92 H CB 1.135 30.955 29.762 0.098 0.000 1.623 92 H HN 0.787 nan 8.280 nan 0.000 0.592 93 F N -1.999 117.764 119.950 -0.311 0.000 2.744 93 F HA 0.400 4.948 4.527 0.036 0.000 0.311 93 F C -1.726 173.946 175.800 -0.213 0.000 1.144 93 F CA -1.375 56.476 58.000 -0.247 0.000 0.938 93 F CB 0.690 39.524 39.000 -0.277 0.000 1.292 93 F HN -0.335 nan 8.300 nan 0.000 0.444 94 V N 3.120 122.993 119.914 -0.068 0.000 2.421 94 V HA 0.471 4.613 4.120 0.037 0.000 0.271 94 V C 0.904 176.871 176.094 -0.212 0.000 1.031 94 V CA 1.355 63.548 62.300 -0.180 0.000 1.032 94 V CB -0.066 31.721 31.823 -0.060 0.000 1.009 94 V HN 1.543 nan 8.190 nan 0.000 0.477 95 G N 3.675 112.192 108.800 -0.472 0.000 2.296 95 G HA2 -0.179 3.803 3.960 0.037 0.000 0.188 95 G HA3 -0.179 3.803 3.960 0.037 0.000 0.188 95 G C 0.272 174.689 174.900 -0.804 0.000 1.000 95 G CA 0.064 44.908 45.100 -0.427 0.000 0.672 95 G HN 0.682 nan 8.290 nan 0.000 0.483 96 Q N 1.686 120.550 119.800 -1.560 0.000 2.274 96 Q HA 0.379 4.741 4.340 0.037 0.000 0.280 96 Q C -2.319 173.342 176.000 -0.564 0.000 1.047 96 Q CA -1.225 53.884 55.803 -1.156 0.000 0.907 96 Q CB 0.684 28.689 28.738 -1.221 0.000 1.171 96 Q HN 0.202 nan 8.270 nan 0.000 0.381 97 P HA -0.008 nan 4.420 nan 0.000 0.267 97 P C -0.462 176.651 177.300 -0.311 0.000 1.205 97 P CA 0.537 63.342 63.100 -0.493 0.000 0.765 97 P CB 0.655 31.795 31.700 -0.933 0.000 0.828 98 I N 2.332 122.765 120.570 -0.229 0.000 3.443 98 I HA 0.165 4.357 4.170 0.037 0.000 0.277 98 I C 0.623 176.819 176.117 0.132 0.000 1.169 98 I CA 0.410 61.693 61.300 -0.028 0.000 1.419 98 I CB 0.123 38.166 38.000 0.072 0.000 1.331 98 I HN 0.280 nan 8.210 nan 0.000 0.458 99 F N 0.095 120.096 119.950 0.085 0.000 2.691 99 F HA 0.797 5.346 4.527 0.036 0.000 0.334 99 F C -1.255 174.732 175.800 0.312 0.000 1.107 99 F CA -1.491 56.610 58.000 0.168 0.000 0.991 99 F CB 1.333 40.404 39.000 0.119 0.000 1.400 99 F HN -0.275 nan 8.300 nan 0.000 0.503 100 L N 2.118 123.704 121.223 0.605 0.000 2.439 100 L HA 0.763 5.125 4.340 0.037 0.000 0.270 100 L C -1.673 175.511 176.870 0.524 0.000 0.972 100 L CA -0.663 54.478 54.840 0.502 0.000 0.836 100 L CB 1.858 44.200 42.059 0.472 0.000 1.255 100 L HN 0.616 nan 8.230 nan 0.000 0.404 101 V N 3.839 123.964 119.914 0.352 0.000 2.483 101 V HA 0.921 5.063 4.120 0.037 0.000 0.295 101 V C 0.178 176.406 176.094 0.223 0.000 1.035 101 V CA -0.280 62.200 62.300 0.300 0.000 0.896 101 V CB 1.397 33.369 31.823 0.248 0.000 0.986 101 V HN 0.960 nan 8.190 nan 0.000 0.447 102 A N 3.360 126.315 122.820 0.226 0.000 2.319 102 A HA 0.965 5.307 4.320 0.037 0.000 0.310 102 A C -0.194 177.477 177.584 0.145 0.000 1.152 102 A CA -0.075 52.073 52.037 0.186 0.000 0.783 102 A CB 1.345 20.490 19.000 0.241 0.000 1.184 102 A HN 1.394 nan 8.150 nan 0.000 0.474 103 A N 1.060 123.965 122.820 0.141 0.000 2.486 103 A HA 0.788 5.130 4.320 0.037 0.000 0.289 103 A C 0.831 178.506 177.584 0.152 0.000 1.176 103 A CA 0.246 52.356 52.037 0.122 0.000 0.757 103 A CB 0.433 19.494 19.000 0.102 0.000 1.337 103 A HN 1.494 nan 8.150 nan 0.000 0.423 104 T N -1.619 113.011 114.554 0.126 0.000 3.169 104 T HA 0.379 4.751 4.350 0.037 0.000 0.250 104 T C 0.473 175.274 174.700 0.169 0.000 1.111 104 T CA 0.736 62.930 62.100 0.156 0.000 1.010 104 T CB -0.901 68.025 68.868 0.096 0.000 0.984 104 T HN 1.839 nan 8.240 nan 0.000 0.537 105 S N -0.819 114.942 115.700 0.103 0.000 2.547 105 S HA 0.295 4.787 4.470 0.037 0.000 0.270 105 S C 0.428 174.994 174.600 -0.058 0.000 1.150 105 S CA -0.783 57.355 58.200 -0.103 0.000 0.850 105 S CB 1.104 64.255 63.200 -0.081 0.000 1.118 105 S HN 0.246 nan 8.310 nan 0.000 0.461 106 H N 2.063 120.944 119.070 -0.314 0.000 2.319 106 H HA -0.073 4.506 4.556 0.039 0.000 0.299 106 H C 1.808 177.120 175.328 -0.028 0.000 1.092 106 H CA 1.962 57.952 56.048 -0.098 0.000 1.302 106 H CB 0.005 29.692 29.762 -0.124 0.000 1.373 106 H HN 0.521 nan 8.280 nan 0.000 0.497 107 R N 0.385 120.817 120.500 -0.114 0.000 2.080 107 R HA -0.097 4.265 4.340 0.037 0.000 0.236 107 R C 2.552 178.806 176.300 -0.077 0.000 1.137 107 R CA 1.104 57.134 56.100 -0.116 0.000 0.943 107 R CB -0.942 29.332 30.300 -0.042 0.000 0.846 107 R HN 0.410 nan 8.270 nan 0.000 0.431 108 A N 0.992 123.792 122.820 -0.034 0.000 1.986 108 A HA -0.148 4.194 4.320 0.037 0.000 0.220 108 A C 2.351 179.938 177.584 0.006 0.000 1.171 108 A CA 1.976 54.011 52.037 -0.003 0.000 0.640 108 A CB -0.486 18.525 19.000 0.019 0.000 0.811 108 A HN 0.420 nan 8.150 nan 0.000 0.451 109 A N -0.397 122.421 122.820 -0.002 0.000 1.897 109 A HA -0.094 4.248 4.320 0.037 0.000 0.215 109 A C 2.248 179.823 177.584 -0.015 0.000 1.181 109 A CA 1.270 53.320 52.037 0.021 0.000 0.620 109 A CB -0.410 18.620 19.000 0.050 0.000 0.821 109 A HN 0.536 nan 8.150 nan 0.000 0.443 110 R N -0.525 119.913 120.500 -0.103 0.000 2.081 110 R HA -0.034 4.328 4.340 0.037 0.000 0.235 110 R C 2.006 178.295 176.300 -0.020 0.000 1.131 110 R CA 1.516 57.565 56.100 -0.085 0.000 0.960 110 R CB -0.522 29.685 30.300 -0.155 0.000 0.856 110 R HN 0.548 nan 8.270 nan 0.000 0.436 111 I N 0.705 121.264 120.570 -0.018 0.000 2.179 111 I HA -0.276 3.916 4.170 0.037 0.000 0.242 111 I C 2.565 178.705 176.117 0.040 0.000 1.088 111 I CA 1.403 62.708 61.300 0.009 0.000 1.357 111 I CB -0.380 37.623 38.000 0.004 0.000 1.051 111 I HN 0.192 nan 8.210 nan 0.000 0.409 112 A N 0.497 123.349 122.820 0.053 0.000 2.015 112 A HA -0.081 4.261 4.320 0.037 0.000 0.219 112 A C 2.469 180.145 177.584 0.153 0.000 1.163 112 A CA 1.488 53.577 52.037 0.087 0.000 0.646 112 A CB -0.672 18.383 19.000 0.092 0.000 0.806 112 A HN 0.446 nan 8.150 nan 0.000 0.448 113 A N -0.228 122.680 122.820 0.146 0.000 2.070 113 A HA -0.129 4.213 4.320 0.037 0.000 0.220 113 A C 2.143 179.853 177.584 0.209 0.000 1.159 113 A CA 1.410 53.566 52.037 0.199 0.000 0.656 113 A CB -0.367 18.669 19.000 0.061 0.000 0.800 113 A HN 0.543 nan 8.150 nan 0.000 0.453 114 R N -0.558 120.019 120.500 0.127 0.000 2.275 114 R HA 0.071 4.433 4.340 0.037 0.000 0.199 114 R C 1.001 177.365 176.300 0.107 0.000 0.989 114 R CA 0.654 56.815 56.100 0.102 0.000 1.016 114 R CB 0.028 30.362 30.300 0.056 0.000 0.918 114 R HN 0.403 nan 8.270 nan 0.000 0.473 115 K N 0.460 120.925 120.400 0.109 0.000 2.437 115 K HA 0.193 4.535 4.320 0.037 0.000 0.198 115 K C 0.151 176.774 176.600 0.037 0.000 1.024 115 K CA -0.197 56.128 56.287 0.062 0.000 1.148 115 K CB 0.894 33.418 32.500 0.040 0.000 0.860 115 K HN 0.048 nan 8.250 nan 0.000 0.515 116 A N 1.729 124.593 122.820 0.072 0.000 2.322 116 A HA 0.309 4.651 4.320 0.037 0.000 0.269 116 A C -0.223 177.353 177.584 -0.012 0.000 1.094 116 A CA -0.436 51.581 52.037 -0.033 0.000 0.807 116 A CB 0.417 19.354 19.000 -0.105 0.000 1.047 116 A HN 0.227 nan 8.150 nan 0.000 0.487 117 R N 1.327 121.789 120.500 -0.064 0.000 2.275 117 R HA 0.500 4.862 4.340 0.037 0.000 0.326 117 R C -1.269 174.974 176.300 -0.095 0.000 0.973 117 R CA -0.049 56.020 56.100 -0.053 0.000 0.854 117 R CB 0.937 31.207 30.300 -0.051 0.000 1.156 117 R HN 0.649 nan 8.270 nan 0.000 0.487 118 I N 2.039 122.540 120.570 -0.115 0.000 2.530 118 I HA 0.323 4.515 4.170 0.037 0.000 0.297 118 I C 0.381 176.310 176.117 -0.312 0.000 1.011 118 I CA -0.781 60.357 61.300 -0.271 0.000 1.107 118 I CB 2.423 40.185 38.000 -0.397 0.000 1.285 118 I HN 0.526 nan 8.210 nan 0.000 0.436 119 T N 1.568 115.923 114.554 -0.332 0.000 2.856 119 T HA 0.679 5.051 4.350 0.037 0.000 0.283 119 T C -0.863 173.657 174.700 -0.299 0.000 1.008 119 T CA -0.697 61.281 62.100 -0.204 0.000 0.997 119 T CB 1.377 70.192 68.868 -0.088 0.000 0.992 119 T HN 0.287 nan 8.240 nan 0.000 0.454 120 Y N -0.013 120.271 120.300 -0.026 0.000 2.630 120 Y HA 0.700 5.272 4.550 0.036 0.000 0.337 120 Y C 0.128 176.010 175.900 -0.030 0.000 1.051 120 Y CA -1.601 56.478 58.100 -0.035 0.000 1.121 120 Y CB 1.929 40.362 38.460 -0.046 0.000 1.299 120 Y HN 0.961 nan 8.280 nan 0.000 0.498 121 A N 2.339 125.244 122.820 0.141 0.000 2.586 121 A HA 0.637 4.979 4.320 0.037 0.000 0.320 121 A C -2.968 174.643 177.584 0.045 0.000 1.281 121 A CA -1.786 50.290 52.037 0.065 0.000 0.775 121 A CB -0.099 18.922 19.000 0.035 0.000 1.122 121 A HN 0.389 nan 8.150 nan 0.000 0.470 122 P HA 0.332 nan 4.420 nan 0.000 0.269 122 P C -0.298 176.992 177.300 -0.017 0.000 1.215 122 P CA 0.048 63.137 63.100 -0.018 0.000 0.780 122 P CB 0.592 32.272 31.700 -0.034 0.000 0.898 123 R N 1.945 122.425 120.500 -0.032 0.000 2.795 123 R HA 0.496 4.858 4.340 0.037 0.000 0.275 123 R C -2.395 173.890 176.300 -0.025 0.000 0.981 123 R CA -2.083 54.003 56.100 -0.023 0.000 0.917 123 R CB 0.889 31.172 30.300 -0.027 0.000 1.202 123 R HN 0.390 nan 8.270 nan 0.000 0.469 124 P HA 0.049 nan 4.420 nan 0.000 0.265 124 P C -1.145 176.147 177.300 -0.014 0.000 1.193 124 P CA -0.010 63.082 63.100 -0.012 0.000 0.765 124 P CB 0.795 32.491 31.700 -0.007 0.000 0.823 125 A N 3.605 126.415 122.820 -0.017 0.000 2.340 125 A HA 0.629 4.971 4.320 0.037 0.000 0.331 125 A C -0.172 177.401 177.584 -0.019 0.000 1.140 125 A CA -0.887 51.139 52.037 -0.018 0.000 0.801 125 A CB 0.653 19.636 19.000 -0.029 0.000 1.234 125 A HN 0.503 nan 8.150 nan 0.000 0.469 126 I N 2.851 123.410 120.570 -0.018 0.000 2.337 126 I HA 0.202 4.394 4.170 0.037 0.000 0.285 126 I C 0.105 176.185 176.117 -0.062 0.000 1.041 126 I CA 0.153 61.433 61.300 -0.034 0.000 1.199 126 I CB 0.861 38.842 38.000 -0.032 0.000 1.370 126 I HN 0.630 nan 8.210 nan 0.000 0.470 127 L N 4.637 125.815 121.223 -0.075 0.000 2.766 127 L HA 0.242 4.604 4.340 0.037 0.000 0.242 127 L C 0.685 177.471 176.870 -0.140 0.000 1.136 127 L CA 0.021 54.783 54.840 -0.130 0.000 0.933 127 L CB -0.070 41.919 42.059 -0.117 0.000 1.241 127 L HN 0.588 nan 8.230 nan 0.000 0.522 128 T N -4.350 110.150 114.554 -0.091 0.000 2.916 128 T HA 0.414 4.786 4.350 0.037 0.000 0.292 128 T C 0.836 175.490 174.700 -0.076 0.000 1.064 128 T CA -0.738 61.314 62.100 -0.080 0.000 1.011 128 T CB 2.168 71.012 68.868 -0.041 0.000 1.152 128 T HN -0.269 nan 8.240 nan 0.000 0.510 129 L N 1.202 122.382 121.223 -0.071 0.000 2.013 129 L HA -0.090 4.272 4.340 0.037 0.000 0.212 129 L C 2.383 179.214 176.870 -0.065 0.000 1.073 129 L CA 1.789 56.586 54.840 -0.072 0.000 0.753 129 L CB -1.375 40.645 42.059 -0.065 0.000 0.890 129 L HN 0.781 nan 8.230 nan 0.000 0.432 130 D N -0.869 119.501 120.400 -0.049 0.000 2.104 130 D HA -0.236 4.426 4.640 0.037 0.000 0.194 130 D C 2.061 178.335 176.300 -0.044 0.000 0.994 130 D CA 1.314 55.288 54.000 -0.043 0.000 0.830 130 D CB -0.075 40.709 40.800 -0.026 0.000 0.959 130 D HN 0.486 nan 8.370 nan 0.000 0.452 131 Q N 0.796 120.572 119.800 -0.040 0.000 2.061 131 Q HA -0.129 4.233 4.340 0.037 0.000 0.204 131 Q C 2.305 178.278 176.000 -0.046 0.000 0.984 131 Q CA 1.662 57.442 55.803 -0.038 0.000 0.846 131 Q CB -0.204 28.513 28.738 -0.035 0.000 0.902 131 Q HN 0.253 nan 8.270 nan 0.000 0.421 132 A N 0.234 123.019 122.820 -0.058 0.000 1.969 132 A HA -0.146 4.196 4.320 0.037 0.000 0.218 132 A C 1.962 179.508 177.584 -0.062 0.000 1.169 132 A CA 0.943 52.942 52.037 -0.064 0.000 0.635 132 A CB -0.369 18.586 19.000 -0.075 0.000 0.810 132 A HN 0.283 nan 8.150 nan 0.000 0.445 133 L N -0.597 120.585 121.223 -0.068 0.000 2.072 133 L HA 0.045 4.407 4.340 0.037 0.000 0.205 133 L C 2.795 179.634 176.870 -0.052 0.000 1.079 133 L CA 1.827 56.620 54.840 -0.077 0.000 0.752 133 L CB -0.811 41.183 42.059 -0.108 0.000 0.906 133 L HN 0.347 nan 8.230 nan 0.000 0.436 134 A N -0.908 121.885 122.820 -0.044 0.000 1.930 134 A HA -0.047 4.295 4.320 0.037 0.000 0.217 134 A C 2.237 179.805 177.584 -0.027 0.000 1.175 134 A CA 1.523 53.542 52.037 -0.031 0.000 0.627 134 A CB -0.828 18.156 19.000 -0.026 0.000 0.815 134 A HN 0.425 nan 8.150 nan 0.000 0.443 135 A N -1.501 121.301 122.820 -0.031 0.000 2.251 135 A HA 0.298 4.640 4.320 0.037 0.000 0.209 135 A C 0.813 178.379 177.584 -0.030 0.000 1.187 135 A CA 1.115 53.135 52.037 -0.028 0.000 0.823 135 A CB -0.348 18.634 19.000 -0.030 0.000 0.846 135 A HN 0.588 nan 8.150 nan 0.000 0.486 136 D N -1.033 119.348 120.400 -0.031 0.000 2.772 136 D HA -0.157 4.505 4.640 0.037 0.000 0.233 136 D C -0.017 176.251 176.300 -0.052 0.000 1.143 136 D CA 1.008 54.992 54.000 -0.027 0.000 0.700 136 D CB -1.619 39.173 40.800 -0.014 0.000 1.076 136 D HN 0.269 nan 8.370 nan 0.000 0.430 137 S N 0.272 115.928 115.700 -0.073 0.000 2.414 137 S HA 0.459 4.951 4.470 0.037 0.000 0.290 137 S C 0.194 174.684 174.600 -0.184 0.000 1.160 137 S CA -0.037 58.088 58.200 -0.125 0.000 1.069 137 S CB 0.117 63.251 63.200 -0.110 0.000 1.012 137 S HN 0.468 nan 8.310 nan 0.000 0.510 138 R N 2.865 123.206 120.500 -0.266 0.000 2.756 138 R HA 0.493 4.855 4.340 0.037 0.000 0.273 138 R C -1.687 174.348 176.300 -0.441 0.000 1.030 138 R CA -0.892 55.033 56.100 -0.292 0.000 0.887 138 R CB 0.523 30.779 30.300 -0.073 0.000 1.274 138 R HN 0.420 nan 8.270 nan 0.000 0.461 139 F N 0.399 120.344 119.950 -0.009 0.000 2.556 139 F HA 0.359 4.908 4.527 0.037 0.000 0.327 139 F C 0.271 176.061 175.800 -0.016 0.000 1.059 139 F CA -0.491 57.499 58.000 -0.018 0.000 0.953 139 F CB 1.919 40.902 39.000 -0.028 0.000 1.227 139 F HN 0.806 nan 8.300 nan 0.000 0.478 140 E N 0.041 120.358 120.200 0.195 0.000 2.868 140 E HA -0.200 4.172 4.350 0.037 0.000 0.278 140 E C 0.753 177.384 176.600 0.051 0.000 1.009 140 E CA 0.355 56.812 56.400 0.094 0.000 0.856 140 E CB -1.865 27.877 29.700 0.070 0.000 1.428 140 E HN 1.117 nan 8.360 nan 0.000 0.423 141 G N -0.083 108.743 108.800 0.044 0.000 2.385 141 G HA2 0.030 4.012 3.960 0.037 0.000 0.284 141 G HA3 0.030 4.012 3.960 0.037 0.000 0.284 141 G C 0.610 175.517 174.900 0.012 0.000 0.899 141 G CA 1.180 46.292 45.100 0.020 0.000 1.204 141 G HN 1.289 nan 8.290 nan 0.000 0.486 142 G N -0.562 108.242 108.800 0.008 0.000 2.406 142 G HA2 0.401 4.383 3.960 0.037 0.000 0.680 142 G HA3 0.401 4.383 3.960 0.037 0.000 0.680 142 G C -2.034 172.834 174.900 -0.053 0.000 1.338 142 G CA -0.214 44.882 45.100 -0.007 0.000 0.941 142 G HN 0.730 nan 8.290 nan 0.000 0.633 143 P HA 0.499 nan 4.420 nan 0.000 0.274 143 P C -0.348 176.842 177.300 -0.184 0.000 1.260 143 P CA -0.264 62.651 63.100 -0.308 0.000 0.793 143 P CB 0.974 32.299 31.700 -0.624 0.000 1.048 144 V N 1.318 121.104 119.914 -0.212 0.000 2.487 144 V HA 0.404 4.546 4.120 0.037 0.000 0.298 144 V C 0.287 176.250 176.094 -0.218 0.000 1.028 144 V CA -0.460 61.746 62.300 -0.157 0.000 0.860 144 V CB 1.353 33.056 31.823 -0.200 0.000 0.991 144 V HN 0.344 nan 8.190 nan 0.000 0.427 145 I N 3.999 124.518 120.570 -0.084 0.000 2.465 145 I HA 0.530 4.722 4.170 0.037 0.000 0.291 145 I C -1.241 175.010 176.117 0.223 0.000 1.014 145 I CA -0.410 60.877 61.300 -0.022 0.000 1.093 145 I CB 2.195 40.217 38.000 0.037 0.000 1.267 145 I HN 0.480 nan 8.210 nan 0.000 0.431 146 W N 4.542 125.889 121.300 0.080 0.000 2.785 146 W HA 0.775 5.457 4.660 0.036 0.000 0.333 146 W C -0.425 176.172 176.519 0.129 0.000 1.062 146 W CA -1.416 56.000 57.345 0.118 0.000 1.233 146 W CB 1.902 31.475 29.460 0.189 0.000 1.413 146 W HN 0.422 nan 8.180 nan 0.000 0.489 147 A N 3.370 126.404 122.820 0.357 0.000 2.422 147 A HA 0.838 5.180 4.320 0.037 0.000 0.302 147 A C -1.156 176.549 177.584 0.202 0.000 1.041 147 A CA -0.954 51.226 52.037 0.238 0.000 0.708 147 A CB 2.062 21.158 19.000 0.160 0.000 1.257 147 A HN 0.584 nan 8.150 nan 0.000 0.414 148 R N 2.074 122.685 120.500 0.185 0.000 2.476 148 R HA 0.553 4.915 4.340 0.037 0.000 0.305 148 R C 0.529 176.892 176.300 0.104 0.000 0.965 148 R CA 0.735 56.926 56.100 0.152 0.000 0.867 148 R CB 1.148 31.565 30.300 0.195 0.000 1.176 148 R HN 2.301 nan 8.270 nan 0.000 0.447 149 G N 3.017 111.866 108.800 0.083 0.000 2.601 149 G HA2 -0.300 3.682 3.960 0.037 0.000 0.252 149 G HA3 -0.300 3.682 3.960 0.037 0.000 0.252 149 G C -1.034 173.897 174.900 0.051 0.000 1.294 149 G CA 0.223 45.359 45.100 0.061 0.000 0.912 149 G HN 0.645 nan 8.290 nan 0.000 0.574 150 D N 0.017 120.438 120.400 0.036 0.000 2.420 150 D HA 0.519 5.181 4.640 0.037 0.000 0.255 150 D C 1.651 177.960 176.300 0.015 0.000 1.185 150 D CA 0.222 54.239 54.000 0.028 0.000 0.904 150 D CB 1.020 41.834 40.800 0.023 0.000 1.102 150 D HN 0.746 nan 8.370 nan 0.000 0.534 151 V N 2.610 122.532 119.914 0.013 0.000 2.270 151 V HA -0.163 3.979 4.120 0.037 0.000 0.245 151 V C 2.069 178.155 176.094 -0.013 0.000 1.043 151 V CA 1.076 63.372 62.300 -0.006 0.000 1.014 151 V CB -0.671 31.145 31.823 -0.011 0.000 0.645 151 V HN 0.439 nan 8.190 nan 0.000 0.447 152 E N 0.989 121.185 120.200 -0.006 0.000 2.065 152 E HA -0.244 4.128 4.350 0.037 0.000 0.201 152 E C 2.318 178.911 176.600 -0.012 0.000 1.016 152 E CA 2.331 58.724 56.400 -0.011 0.000 0.818 152 E CB -0.963 28.735 29.700 -0.004 0.000 0.749 152 E HN 0.683 nan 8.360 nan 0.000 0.453 153 T N 1.516 116.067 114.554 -0.005 0.000 2.635 153 T HA -0.178 4.194 4.350 0.037 0.000 0.267 153 T C 2.042 176.735 174.700 -0.012 0.000 1.040 153 T CA 1.889 63.985 62.100 -0.005 0.000 1.156 153 T CB -0.344 68.525 68.868 0.002 0.000 0.863 153 T HN 0.354 nan 8.240 nan 0.000 0.430 154 A N 0.940 123.753 122.820 -0.013 0.000 1.902 154 A HA 0.033 4.375 4.320 0.037 0.000 0.217 154 A C 2.330 179.896 177.584 -0.030 0.000 1.181 154 A CA 1.178 53.203 52.037 -0.019 0.000 0.623 154 A CB -0.785 18.202 19.000 -0.021 0.000 0.818 154 A HN 0.485 nan 8.150 nan 0.000 0.443 155 L N -0.791 120.411 121.223 -0.035 0.000 2.056 155 L HA -0.165 4.197 4.340 0.037 0.000 0.207 155 L C 3.095 179.940 176.870 -0.041 0.000 1.078 155 L CA 0.989 55.802 54.840 -0.044 0.000 0.749 155 L CB -0.669 41.359 42.059 -0.052 0.000 0.901 155 L HN 0.413 nan 8.230 nan 0.000 0.433 156 A N 0.362 123.162 122.820 -0.034 0.000 1.948 156 A HA -0.175 4.167 4.320 0.037 0.000 0.220 156 A C 1.977 179.539 177.584 -0.036 0.000 1.177 156 A CA 1.902 53.919 52.037 -0.033 0.000 0.636 156 A CB -1.053 17.932 19.000 -0.024 0.000 0.815 156 A HN 0.473 nan 8.150 nan 0.000 0.449 157 G N -1.261 107.520 108.800 -0.033 0.000 3.702 157 G HA2 0.498 4.480 3.960 0.037 0.000 0.288 157 G HA3 0.498 4.480 3.960 0.037 0.000 0.288 157 G C 0.107 174.981 174.900 -0.043 0.000 1.193 157 G CA 0.550 45.629 45.100 -0.035 0.000 0.952 157 G HN 0.750 nan 8.290 nan 0.000 0.544 158 A N -0.082 122.707 122.820 -0.053 0.000 2.304 158 A HA 0.746 5.088 4.320 0.037 0.000 0.323 158 A C 1.370 178.894 177.584 -0.100 0.000 1.195 158 A CA 0.175 52.177 52.037 -0.059 0.000 0.826 158 A CB 1.298 20.270 19.000 -0.047 0.000 1.184 158 A HN 0.648 nan 8.150 nan 0.000 0.496 159 A N 1.840 124.581 122.820 -0.132 0.000 1.978 159 A HA 0.026 4.368 4.320 0.037 0.000 0.220 159 A C 0.796 178.085 177.584 -0.491 0.000 1.170 159 A CA 1.701 53.554 52.037 -0.306 0.000 0.636 159 A CB -0.461 18.346 19.000 -0.323 0.000 0.810 159 A HN 0.914 nan 8.150 nan 0.000 0.448 160 H N -3.304 115.729 119.070 -0.061 0.000 2.930 160 H HA 0.725 5.303 4.556 0.037 0.000 0.371 160 H C -1.197 174.074 175.328 -0.095 0.000 1.169 160 H CA -0.592 55.410 56.048 -0.077 0.000 1.157 160 H CB 1.936 31.652 29.762 -0.076 0.000 1.789 160 H HN 0.248 nan 8.280 nan 0.000 0.547 161 L N 1.513 122.750 121.223 0.023 0.000 2.505 161 L HA 0.819 5.181 4.340 0.037 0.000 0.259 161 L C -1.565 175.214 176.870 -0.152 0.000 0.952 161 L CA -0.451 54.350 54.840 -0.066 0.000 0.840 161 L CB 1.873 43.889 42.059 -0.072 0.000 1.358 161 L HN 0.795 nan 8.230 nan 0.000 0.409 162 A N 3.333 126.037 122.820 -0.194 0.000 2.374 162 A HA 0.811 5.153 4.320 0.037 0.000 0.305 162 A C -1.409 176.026 177.584 -0.247 0.000 1.053 162 A CA -0.541 51.279 52.037 -0.361 0.000 0.726 162 A CB 1.415 20.108 19.000 -0.511 0.000 1.229 162 A HN 0.656 nan 8.150 nan 0.000 0.431 163 E N 0.875 120.878 120.200 -0.329 0.000 2.212 163 E HA 0.694 5.066 4.350 0.037 0.000 0.268 163 E C -0.189 176.148 176.600 -0.438 0.000 0.902 163 E CA -0.917 55.282 56.400 -0.334 0.000 0.779 163 E CB 2.549 32.118 29.700 -0.218 0.000 1.172 163 E HN 0.968 nan 8.360 nan 0.000 0.409 164 G N 0.193 108.430 108.800 -0.938 0.000 2.579 164 G HA2 0.431 4.413 3.960 0.037 0.000 0.292 164 G HA3 0.431 4.413 3.960 0.037 0.000 0.292 164 G C -1.709 172.803 174.900 -0.647 0.000 1.484 164 G CA -0.491 44.191 45.100 -0.698 0.000 0.813 164 G HN 0.608 nan 8.290 nan 0.000 0.515 165 C N 0.803 120.134 119.300 0.051 0.000 2.802 165 C HA 1.017 5.499 4.460 0.037 0.000 0.307 165 C C -1.422 173.897 174.990 0.548 0.000 1.222 165 C CA -1.001 58.176 59.018 0.266 0.000 1.580 165 C CB 0.498 28.326 27.740 0.146 0.000 2.119 165 C HN 1.570 nan 8.230 nan 0.000 0.479 166 F N 2.867 122.972 119.950 0.259 0.000 2.680 166 F HA 0.529 5.078 4.527 0.037 0.000 0.315 166 F C -0.917 174.980 175.800 0.163 0.000 1.099 166 F CA -0.609 57.521 58.000 0.217 0.000 1.033 166 F CB 0.718 39.877 39.000 0.265 0.000 1.285 166 F HN 0.544 nan 8.300 nan 0.000 0.457 167 E N 4.532 124.702 120.200 -0.049 0.000 2.349 167 E HA 0.551 4.923 4.350 0.037 0.000 0.265 167 E C -0.626 175.785 176.600 -0.316 0.000 1.064 167 E CA -0.622 55.676 56.400 -0.170 0.000 0.886 167 E CB 2.526 32.218 29.700 -0.013 0.000 1.036 167 E HN 0.651 nan 8.360 nan 0.000 0.413 168 I N 0.909 121.328 120.570 -0.251 0.000 2.512 168 I HA 0.265 4.457 4.170 0.037 0.000 0.287 168 I C 0.388 176.490 176.117 -0.025 0.000 1.069 168 I CA -0.822 60.334 61.300 -0.240 0.000 1.056 168 I CB 2.020 39.851 38.000 -0.282 0.000 1.229 168 I HN 0.444 nan 8.210 nan 0.000 0.429 169 G N 3.543 112.319 108.800 -0.040 0.000 2.537 169 G HA2 0.539 4.521 3.960 0.037 0.000 0.273 169 G HA3 0.539 4.521 3.960 0.037 0.000 0.273 169 G C 0.400 175.485 174.900 0.308 0.000 1.189 169 G CA -0.183 44.987 45.100 0.117 0.000 0.881 169 G HN 0.719 nan 8.290 nan 0.000 0.535 170 G N -1.317 107.676 108.800 0.322 0.000 2.468 170 G HA2 0.481 4.463 3.960 0.037 0.000 0.264 170 G HA3 0.481 4.463 3.960 0.037 0.000 0.264 170 G C -0.159 174.952 174.900 0.352 0.000 1.460 170 G CA -0.084 45.220 45.100 0.341 0.000 1.060 170 G HN 0.769 nan 8.290 nan 0.000 0.543 171 Q N -1.753 118.155 119.800 0.180 0.000 2.438 171 Q HA 0.374 4.736 4.340 0.037 0.000 0.272 171 Q C -1.849 174.225 176.000 0.124 0.000 0.994 171 Q CA -0.710 55.196 55.803 0.170 0.000 0.887 171 Q CB 2.064 30.676 28.738 -0.211 0.000 1.432 171 Q HN 0.511 nan 8.270 nan 0.000 0.392 172 E N 0.814 121.059 120.200 0.076 0.000 2.231 172 E HA 0.252 4.624 4.350 0.037 0.000 0.277 172 E C -0.382 176.273 176.600 0.091 0.000 0.999 172 E CA 0.180 56.496 56.400 -0.140 0.000 0.827 172 E CB 0.861 30.140 29.700 -0.703 0.000 1.101 172 E HN 0.713 nan 8.360 nan 0.000 0.393 173 H N 3.460 122.533 119.070 0.006 0.000 2.293 173 H HA 0.032 4.611 4.556 0.038 0.000 0.300 173 H C -0.032 175.234 175.328 -0.104 0.000 1.082 173 H CA 1.649 57.547 56.048 -0.250 0.000 1.308 173 H CB -0.193 29.328 29.762 -0.401 0.000 1.375 173 H HN 0.612 nan 8.280 nan 0.000 0.495 174 F N 0.373 120.115 119.950 -0.347 0.000 2.983 174 F HA -0.242 4.309 4.527 0.039 0.000 0.288 174 F C -0.899 174.814 175.800 -0.145 0.000 0.980 174 F CA -0.503 57.339 58.000 -0.263 0.000 0.965 174 F CB -1.840 37.143 39.000 -0.027 0.000 0.967 174 F HN 0.136 nan 8.300 nan 0.000 0.800 175 Y N 0.073 120.412 120.300 0.066 0.000 2.511 175 Y HA 0.291 4.865 4.550 0.040 0.000 0.332 175 Y C 1.080 176.925 175.900 -0.091 0.000 1.177 175 Y CA -1.373 56.817 58.100 0.150 0.000 1.422 175 Y CB 0.151 38.681 38.460 0.117 0.000 1.271 175 Y HN 0.121 nan 8.280 nan 0.000 0.550 176 L N 1.155 122.459 121.223 0.135 0.000 2.046 176 L HA -0.096 4.266 4.340 0.037 0.000 0.208 176 L C 1.181 178.028 176.870 -0.039 0.000 1.077 176 L CA 1.451 56.287 54.840 -0.007 0.000 0.747 176 L CB -0.624 41.444 42.059 0.015 0.000 0.896 176 L HN 0.881 nan 8.230 nan 0.000 0.432 177 E N 0.110 120.291 120.200 -0.032 0.000 2.289 177 E HA 0.315 4.687 4.350 0.037 0.000 0.278 177 E C 0.022 176.638 176.600 0.026 0.000 1.032 177 E CA -0.202 56.154 56.400 -0.073 0.000 0.854 177 E CB 1.256 30.865 29.700 -0.152 0.000 1.046 177 E HN 0.196 nan 8.360 nan 0.000 0.409 178 G N 3.064 111.878 108.800 0.024 0.000 2.547 178 G HA2 0.080 4.062 3.960 0.037 0.000 0.291 178 G HA3 0.080 4.062 3.960 0.037 0.000 0.291 178 G C -0.276 174.566 174.900 -0.095 0.000 1.211 178 G CA -0.576 44.581 45.100 0.095 0.000 0.950 178 G HN 0.558 nan 8.290 nan 0.000 0.504 179 Q N -0.759 118.969 119.800 -0.120 0.000 2.333 179 Q HA 0.380 4.742 4.340 0.037 0.000 0.299 179 Q C 0.121 175.945 176.000 -0.294 0.000 1.067 179 Q CA 0.797 56.434 55.803 -0.277 0.000 0.943 179 Q CB 1.008 29.551 28.738 -0.324 0.000 1.233 179 Q HN 0.792 nan 8.270 nan 0.000 0.401 180 A N 0.451 123.117 122.820 -0.257 0.000 2.594 180 A HA 0.797 5.139 4.320 0.037 0.000 0.296 180 A C -1.671 175.826 177.584 -0.145 0.000 1.056 180 A CA 0.068 51.984 52.037 -0.201 0.000 0.693 180 A CB 1.542 20.465 19.000 -0.130 0.000 1.278 180 A HN 0.785 nan 8.150 nan 0.000 0.408 181 A N 0.058 122.805 122.820 -0.121 0.000 2.602 181 A HA 0.917 5.259 4.320 0.037 0.000 0.290 181 A C -2.027 175.524 177.584 -0.055 0.000 1.114 181 A CA -0.394 51.599 52.037 -0.073 0.000 0.683 181 A CB 1.533 20.486 19.000 -0.079 0.000 1.281 181 A HN 2.335 nan 8.150 nan 0.000 0.416 182 L N 0.053 121.265 121.223 -0.018 0.000 2.493 182 L HA 0.861 5.223 4.340 0.037 0.000 0.265 182 L C -0.633 176.248 176.870 0.018 0.000 0.954 182 L CA -0.023 54.808 54.840 -0.015 0.000 0.844 182 L CB 1.622 43.681 42.059 0.001 0.000 1.302 182 L HN 1.642 nan 8.230 nan 0.000 0.405 183 A N 5.653 128.469 122.820 -0.007 0.000 2.356 183 A HA 0.859 5.201 4.320 0.037 0.000 0.310 183 A C -1.609 175.979 177.584 0.008 0.000 1.075 183 A CA -0.463 51.575 52.037 0.002 0.000 0.746 183 A CB 1.131 20.118 19.000 -0.022 0.000 1.221 183 A HN 0.690 nan 8.150 nan 0.000 0.443 184 L N 3.480 124.719 121.223 0.026 0.000 2.343 184 L HA 0.411 4.773 4.340 0.037 0.000 0.278 184 L C -2.418 174.460 176.870 0.013 0.000 0.996 184 L CA -2.153 52.699 54.840 0.021 0.000 0.831 184 L CB 1.984 44.069 42.059 0.044 0.000 1.232 184 L HN 0.419 nan 8.230 nan 0.000 0.413 185 P HA 0.022 nan 4.420 nan 0.000 0.262 185 P C -0.626 176.679 177.300 0.009 0.000 1.182 185 P CA 0.093 63.199 63.100 0.010 0.000 0.761 185 P CB 0.778 32.486 31.700 0.013 0.000 0.795 186 A N 3.574 126.398 122.820 0.006 0.000 2.815 186 A HA 0.318 4.660 4.320 0.037 0.000 0.318 186 A C 0.074 177.658 177.584 0.000 0.000 1.186 186 A CA -0.648 51.391 52.037 0.003 0.000 0.754 186 A CB -0.198 18.802 19.000 -0.000 0.000 1.151 186 A HN 0.677 nan 8.150 nan 0.000 0.452 187 E N 1.037 121.239 120.200 0.003 0.000 1.626 187 E HA -0.188 4.184 4.350 0.037 0.000 0.273 187 E C 0.930 177.530 176.600 0.001 0.000 1.490 187 E CA 0.868 57.269 56.400 0.002 0.000 0.961 187 E CB -1.567 28.131 29.700 -0.002 0.000 0.824 187 E HN 2.193 nan 8.360 nan 0.000 0.316 188 G N 1.648 110.452 108.800 0.008 0.000 2.420 188 G HA2 -0.258 3.724 3.960 0.037 0.000 0.221 188 G HA3 -0.258 3.724 3.960 0.037 0.000 0.221 188 G C 0.548 175.456 174.900 0.013 0.000 1.117 188 G CA 0.155 45.261 45.100 0.010 0.000 0.657 188 G HN 1.319 nan 8.290 nan 0.000 0.512 189 G N -1.141 107.663 108.800 0.006 0.000 3.209 189 G HA2 0.887 4.869 3.960 0.037 0.000 0.236 189 G HA3 0.887 4.869 3.960 0.037 0.000 0.236 189 G C -0.568 174.333 174.900 0.002 0.000 1.329 189 G CA 0.561 45.666 45.100 0.008 0.000 1.015 189 G HN 1.560 nan 8.290 nan 0.000 0.571 190 V N -2.618 117.293 119.914 -0.006 0.000 3.078 190 V HA 0.791 4.933 4.120 0.037 0.000 0.311 190 V C -0.730 175.348 176.094 -0.026 0.000 1.138 190 V CA -1.036 61.257 62.300 -0.012 0.000 1.007 190 V CB 1.459 33.271 31.823 -0.018 0.000 1.045 190 V HN 0.564 nan 8.190 nan 0.000 0.432 191 V N 3.654 123.553 119.914 -0.023 0.000 2.417 191 V HA 0.546 4.688 4.120 0.037 0.000 0.291 191 V C -0.449 175.610 176.094 -0.059 0.000 1.024 191 V CA -0.408 61.859 62.300 -0.055 0.000 0.861 191 V CB 1.526 33.329 31.823 -0.034 0.000 0.985 191 V HN 0.682 nan 8.190 nan 0.000 0.436 192 I N 4.305 124.803 120.570 -0.120 0.000 2.378 192 I HA 0.461 4.653 4.170 0.037 0.000 0.291 192 I C -0.092 175.905 176.117 -0.200 0.000 0.992 192 I CA -0.403 60.839 61.300 -0.097 0.000 1.154 192 I CB 1.460 39.408 38.000 -0.086 0.000 1.315 192 I HN 0.581 nan 8.210 nan 0.000 0.448 193 H N 5.098 124.140 119.070 -0.047 0.000 2.459 193 H HA 0.571 5.115 4.556 -0.020 0.000 0.332 193 H C -0.228 175.068 175.328 -0.053 0.000 1.094 193 H CA -0.281 55.740 56.048 -0.045 0.000 1.224 193 H CB 2.500 32.238 29.762 -0.041 0.000 1.449 193 H HN 0.850 nan 8.280 nan 0.000 0.484 194 C N 0.982 120.305 119.300 0.037 0.000 3.314 194 C HA 0.596 5.078 4.460 0.037 0.000 0.344 194 C C -0.094 174.882 174.990 -0.023 0.000 1.461 194 C CA -1.023 57.989 59.018 -0.010 0.000 1.249 194 C CB 1.443 29.157 27.740 -0.043 0.000 1.632 194 C HN 0.698 nan 8.230 nan 0.000 0.452 195 S N 1.283 116.947 115.700 -0.060 0.000 2.532 195 S HA 0.694 5.186 4.470 0.037 0.000 0.256 195 S C -0.680 173.855 174.600 -0.108 0.000 1.298 195 S CA 0.241 58.399 58.200 -0.071 0.000 1.166 195 S CB -0.153 62.995 63.200 -0.087 0.000 1.022 195 S HN 1.762 nan 8.310 nan 0.000 0.480 196 S N 3.308 118.961 115.700 -0.077 0.000 2.536 196 S HA 0.383 4.875 4.470 0.037 0.000 0.271 196 S C 0.169 174.744 174.600 -0.042 0.000 1.134 196 S CA -0.569 57.589 58.200 -0.069 0.000 0.897 196 S CB 1.667 64.841 63.200 -0.044 0.000 1.094 196 S HN 0.702 nan 8.310 nan 0.000 0.473 197 Q N 1.807 121.584 119.800 -0.039 0.000 2.444 197 Q HA 0.136 4.498 4.340 0.037 0.000 0.206 197 Q C 0.035 176.069 176.000 0.056 0.000 0.948 197 Q CA 0.462 56.251 55.803 -0.024 0.000 0.946 197 Q CB 0.017 28.719 28.738 -0.061 0.000 1.027 197 Q HN 0.754 nan 8.270 nan 0.000 0.513 198 H N -0.644 118.399 119.070 -0.045 0.000 2.823 198 H HA 0.122 4.699 4.556 0.036 0.000 0.222 198 H C -2.121 173.180 175.328 -0.046 0.000 1.414 198 H CA -1.951 54.075 56.048 -0.036 0.000 1.289 198 H CB 1.022 30.763 29.762 -0.035 0.000 1.970 198 H HN 0.009 nan 8.280 nan 0.000 0.517 199 P HA -0.173 nan 4.420 nan 0.000 0.216 199 P C 1.601 178.858 177.300 -0.072 0.000 1.153 199 P CA 1.220 64.310 63.100 -0.016 0.000 0.858 199 P CB 0.326 32.023 31.700 -0.005 0.000 0.789 200 S N -0.274 115.414 115.700 -0.019 0.000 2.387 200 S HA -0.231 4.261 4.470 0.037 0.000 0.230 200 S C 1.993 176.435 174.600 -0.264 0.000 1.035 200 S CA 1.582 59.730 58.200 -0.088 0.000 1.014 200 S CB -0.791 62.432 63.200 0.038 0.000 0.836 200 S HN 0.398 nan 8.310 nan 0.000 0.466 201 E N 0.625 120.473 120.200 -0.586 0.000 2.107 201 E HA -0.095 4.277 4.350 0.037 0.000 0.191 201 E C 1.818 178.219 176.600 -0.333 0.000 0.982 201 E CA 0.764 56.808 56.400 -0.594 0.000 0.809 201 E CB -0.024 29.091 29.700 -0.975 0.000 0.756 201 E HN 0.317 nan 8.360 nan 0.000 0.459 202 I N 1.536 121.954 120.570 -0.255 0.000 2.226 202 I HA -0.289 3.903 4.170 0.037 0.000 0.245 202 I C 2.604 178.608 176.117 -0.187 0.000 1.100 202 I CA 1.464 62.663 61.300 -0.168 0.000 1.374 202 I CB -1.405 36.523 38.000 -0.120 0.000 1.057 202 I HN 0.393 nan 8.210 nan 0.000 0.413 203 Q N 0.431 120.100 119.800 -0.218 0.000 2.045 203 Q HA -0.300 4.062 4.340 0.037 0.000 0.206 203 Q C 2.379 178.103 176.000 -0.459 0.000 0.991 203 Q CA 2.285 57.921 55.803 -0.277 0.000 0.851 203 Q CB -0.317 28.270 28.738 -0.252 0.000 0.911 203 Q HN 0.633 nan 8.270 nan 0.000 0.418 204 H N -0.115 118.541 119.070 -0.689 0.000 2.289 204 H HA -0.124 4.453 4.556 0.035 0.000 0.296 204 H C 1.963 176.960 175.328 -0.551 0.000 1.091 204 H CA 1.864 57.356 56.048 -0.926 0.000 1.274 204 H CB 0.270 29.693 29.762 -0.565 0.000 1.364 204 H HN 0.073 nan 8.280 nan 0.000 0.490 205 K N 0.125 120.494 120.400 -0.053 0.000 2.097 205 K HA -0.077 4.265 4.320 0.037 0.000 0.205 205 K C 2.321 178.910 176.600 -0.018 0.000 1.050 205 K CA 0.990 57.286 56.287 0.016 0.000 0.938 205 K CB -0.308 32.163 32.500 -0.049 0.000 0.718 205 K HN 0.243 nan 8.250 nan 0.000 0.442 206 V N 1.638 121.498 119.914 -0.091 0.000 2.358 206 V HA -0.216 3.926 4.120 0.037 0.000 0.246 206 V C 2.485 178.537 176.094 -0.071 0.000 1.047 206 V CA 1.796 64.055 62.300 -0.068 0.000 1.035 206 V CB -0.681 31.091 31.823 -0.084 0.000 0.658 206 V HN 0.276 nan 8.190 nan 0.000 0.452 207 A N -0.582 122.138 122.820 -0.168 0.000 1.873 207 A HA -0.319 4.023 4.320 0.037 0.000 0.218 207 A C 1.997 179.550 177.584 -0.051 0.000 1.193 207 A CA 2.435 54.385 52.037 -0.147 0.000 0.629 207 A CB -1.055 17.798 19.000 -0.245 0.000 0.826 207 A HN 0.719 nan 8.150 nan 0.000 0.447 208 H N -0.974 118.107 119.070 0.018 0.000 2.421 208 H HA 0.007 4.587 4.556 0.039 0.000 0.298 208 H C 2.373 177.723 175.328 0.036 0.000 1.087 208 H CA 0.823 56.897 56.048 0.044 0.000 1.330 208 H CB 0.010 29.832 29.762 0.100 0.000 1.388 208 H HN 0.572 nan 8.280 nan 0.000 0.526 209 A N 0.391 123.299 122.820 0.147 0.000 2.014 209 A HA -0.041 4.301 4.320 0.037 0.000 0.218 209 A C 2.078 179.746 177.584 0.139 0.000 1.163 209 A CA 0.868 52.984 52.037 0.132 0.000 0.652 209 A CB -0.183 18.865 19.000 0.080 0.000 0.808 209 A HN 0.329 nan 8.150 nan 0.000 0.449 210 L N -1.692 119.567 121.223 0.060 0.000 2.554 210 L HA 0.228 4.590 4.340 0.037 0.000 0.225 210 L C 1.446 178.208 176.870 -0.180 0.000 1.104 210 L CA 0.564 55.432 54.840 0.046 0.000 0.866 210 L CB 0.082 42.149 42.059 0.013 0.000 1.047 210 L HN 0.555 nan 8.230 nan 0.000 0.468 211 G N 1.165 109.747 108.800 -0.365 0.000 2.204 211 G HA2 -0.231 3.751 3.960 0.037 0.000 0.244 211 G HA3 -0.231 3.751 3.960 0.037 0.000 0.244 211 G C -0.329 174.428 174.900 -0.238 0.000 1.062 211 G CA -0.148 44.569 45.100 -0.638 0.000 0.798 211 G HN 0.200 nan 8.290 nan 0.000 0.496 212 L N -0.539 120.623 121.223 -0.101 0.000 2.354 212 L HA 0.876 5.238 4.340 0.037 0.000 0.264 212 L C 0.851 177.715 176.870 -0.010 0.000 1.008 212 L CA -0.884 53.935 54.840 -0.035 0.000 0.819 212 L CB 1.933 43.992 42.059 -0.000 0.000 1.339 212 L HN 0.334 nan 8.230 nan 0.000 0.420 213 A N 0.542 123.335 122.820 -0.044 0.000 2.425 213 A HA 0.295 4.637 4.320 0.037 0.000 0.242 213 A C 0.759 178.360 177.584 0.029 0.000 1.077 213 A CA -0.126 51.812 52.037 -0.165 0.000 0.781 213 A CB -0.033 18.684 19.000 -0.472 0.000 1.020 213 A HN 0.615 nan 8.150 nan 0.000 0.494 214 F N 1.057 120.849 119.950 -0.262 0.000 2.236 214 F HA -0.222 4.327 4.527 0.037 0.000 0.302 214 F C 2.227 177.999 175.800 -0.048 0.000 1.073 214 F CA 2.050 59.944 58.000 -0.177 0.000 1.336 214 F CB -1.433 37.454 39.000 -0.187 0.000 1.040 214 F HN 0.906 nan 8.300 nan 0.000 0.507 215 H N -2.078 117.050 119.070 0.097 0.000 2.563 215 H HA 0.032 4.610 4.556 0.037 0.000 0.272 215 H C 0.294 175.631 175.328 0.014 0.000 1.005 215 H CA 0.597 56.667 56.048 0.037 0.000 1.171 215 H CB -0.263 29.501 29.762 0.003 0.000 1.351 215 H HN 0.131 nan 8.280 nan 0.000 0.602 216 D N 1.371 121.965 120.400 0.324 0.000 2.395 216 D HA 0.157 4.819 4.640 0.037 0.000 0.213 216 D C -0.393 175.941 176.300 0.057 0.000 1.110 216 D CA 0.079 54.164 54.000 0.142 0.000 0.835 216 D CB 1.331 42.214 40.800 0.138 0.000 0.965 216 D HN 0.170 nan 8.370 nan 0.000 0.505 217 V N 1.206 121.146 119.914 0.042 0.000 2.483 217 V HA 0.335 4.477 4.120 0.037 0.000 0.297 217 V C -0.063 176.010 176.094 -0.034 0.000 1.027 217 V CA -0.902 61.387 62.300 -0.017 0.000 0.855 217 V CB 2.882 34.668 31.823 -0.062 0.000 0.995 217 V HN -0.102 nan 8.190 nan 0.000 0.424 218 R N 3.583 124.051 120.500 -0.053 0.000 2.514 218 R HA 0.836 5.198 4.340 0.037 0.000 0.301 218 R C -1.917 174.313 176.300 -0.117 0.000 0.962 218 R CA -0.413 55.644 56.100 -0.071 0.000 0.882 218 R CB 2.105 32.366 30.300 -0.065 0.000 1.143 218 R HN 0.501 nan 8.270 nan 0.000 0.452 219 V N 3.958 123.799 119.914 -0.122 0.000 2.483 219 V HA 0.343 4.485 4.120 0.037 0.000 0.297 219 V C -0.691 175.303 176.094 -0.165 0.000 1.027 219 V CA -0.728 61.481 62.300 -0.153 0.000 0.855 219 V CB 1.746 33.500 31.823 -0.115 0.000 0.995 219 V HN 0.838 nan 8.190 nan 0.000 0.424 220 E N 4.168 124.211 120.200 -0.261 0.000 2.207 220 E HA 0.780 5.152 4.350 0.037 0.000 0.270 220 E C -0.798 175.737 176.600 -0.109 0.000 0.927 220 E CA -0.956 55.326 56.400 -0.196 0.000 0.799 220 E CB 2.480 32.028 29.700 -0.253 0.000 1.172 220 E HN 0.596 nan 8.360 nan 0.000 0.404 221 M N 2.044 121.622 119.600 -0.038 0.000 2.221 221 M HA 0.333 4.835 4.480 0.037 0.000 0.259 221 M C -0.726 175.587 176.300 0.022 0.000 1.001 221 M CA -0.391 54.910 55.300 0.002 0.000 1.009 221 M CB 1.599 34.192 32.600 -0.012 0.000 1.939 221 M HN 0.360 nan 8.290 nan 0.000 0.477 222 R N 3.335 123.854 120.500 0.032 0.000 2.156 222 R HA 0.459 4.821 4.340 0.037 0.000 0.207 222 R C -0.348 175.979 176.300 0.045 0.000 1.040 222 R CA 1.527 57.645 56.100 0.029 0.000 1.013 222 R CB 0.517 30.816 30.300 -0.000 0.000 0.931 222 R HN 0.800 nan 8.270 nan 0.000 0.465 223 R N -1.340 119.169 120.500 0.014 0.000 2.824 223 R HA 0.284 4.646 4.340 0.037 0.000 0.267 223 R C -1.647 174.681 176.300 0.048 0.000 1.035 223 R CA -0.733 55.381 56.100 0.023 0.000 0.887 223 R CB 0.480 30.766 30.300 -0.023 0.000 1.262 223 R HN 0.016 nan 8.270 nan 0.000 0.487 224 M N 1.153 120.801 119.600 0.081 0.000 2.465 224 M HA 0.426 4.928 4.480 0.037 0.000 0.316 224 M C 0.572 176.984 176.300 0.186 0.000 1.121 224 M CA -0.729 54.630 55.300 0.098 0.000 0.934 224 M CB 2.468 35.044 32.600 -0.039 0.000 1.692 224 M HN 0.916 nan 8.290 nan 0.000 0.444 225 G N 1.614 110.518 108.800 0.175 0.000 3.316 225 G HA2 0.495 4.477 3.960 0.037 0.000 0.255 225 G HA3 0.495 4.477 3.960 0.037 0.000 0.255 225 G C 0.336 175.245 174.900 0.016 0.000 0.880 225 G CA 0.278 45.396 45.100 0.031 0.000 1.956 225 G HN 1.097 nan 8.290 nan 0.000 0.634 226 G N -1.252 107.528 108.800 -0.033 0.000 2.712 226 G HA2 0.373 4.355 3.960 0.037 0.000 0.686 226 G HA3 0.373 4.355 3.960 0.037 0.000 0.686 226 G C 0.497 175.247 174.900 -0.250 0.000 1.181 226 G CA -0.325 44.684 45.100 -0.153 0.000 0.762 226 G HN 1.202 nan 8.290 nan 0.000 0.641 227 G N -0.679 107.747 108.800 -0.624 0.000 2.641 227 G HA2 0.538 4.520 3.960 0.037 0.000 0.211 227 G HA3 0.538 4.520 3.960 0.037 0.000 0.211 227 G C 0.897 175.618 174.900 -0.299 0.000 1.338 227 G CA 0.863 45.732 45.100 -0.386 0.000 0.572 227 G HN 1.718 nan 8.290 nan 0.000 1.023 228 F N 0.837 120.761 119.950 -0.043 0.000 3.079 228 F HA -0.205 4.345 4.527 0.038 0.000 0.285 228 F C 1.999 177.705 175.800 -0.157 0.000 0.819 228 F CA 1.096 59.050 58.000 -0.077 0.000 1.067 228 F CB -1.459 37.477 39.000 -0.105 0.000 1.263 228 F HN 1.156 nan 8.300 nan 0.000 0.458 229 G N -1.142 107.598 108.800 -0.099 0.000 2.284 229 G HA2 -0.180 3.802 3.960 0.037 0.000 0.216 229 G HA3 -0.180 3.802 3.960 0.037 0.000 0.216 229 G C 1.113 175.875 174.900 -0.230 0.000 1.009 229 G CA 0.016 45.082 45.100 -0.056 0.000 0.625 229 G HN 1.203 nan 8.290 nan 0.000 0.501 230 G N 0.101 108.493 108.800 -0.680 0.000 2.708 230 G HA2 0.208 4.190 3.960 0.037 0.000 0.210 230 G HA3 0.208 4.190 3.960 0.037 0.000 0.210 230 G C 1.082 175.788 174.900 -0.324 0.000 1.141 230 G CA 1.426 46.001 45.100 -0.876 0.000 0.788 230 G HN 0.522 nan 8.290 nan 0.000 0.531 231 K N -0.499 119.748 120.400 -0.255 0.000 2.536 231 K HA 0.167 4.509 4.320 0.037 0.000 0.203 231 K C 1.352 177.905 176.600 -0.080 0.000 1.063 231 K CA -0.133 56.038 56.287 -0.193 0.000 1.063 231 K CB 0.670 33.005 32.500 -0.275 0.000 0.843 231 K HN 0.304 nan 8.250 nan 0.000 0.521 232 E N 0.777 120.956 120.200 -0.035 0.000 2.150 232 E HA -0.158 4.214 4.350 0.037 0.000 0.193 232 E C 1.399 178.060 176.600 0.101 0.000 0.985 232 E CA 1.747 58.174 56.400 0.046 0.000 0.814 232 E CB 0.335 30.080 29.700 0.075 0.000 0.752 232 E HN 0.230 nan 8.360 nan 0.000 0.466 233 S N -1.824 113.919 115.700 0.070 0.000 2.658 233 S HA 0.038 4.530 4.470 0.037 0.000 0.277 233 S C 1.318 175.974 174.600 0.093 0.000 1.078 233 S CA -0.565 57.683 58.200 0.080 0.000 1.124 233 S CB -0.013 63.241 63.200 0.091 0.000 1.016 233 S HN 0.055 nan 8.310 nan 0.000 0.543 234 Q N 1.751 121.603 119.800 0.087 0.000 2.561 234 Q HA 0.148 4.510 4.340 0.037 0.000 0.217 234 Q C 1.692 177.762 176.000 0.117 0.000 0.980 234 Q CA 1.135 57.016 55.803 0.129 0.000 0.927 234 Q CB -0.933 27.865 28.738 0.099 0.000 0.980 234 Q HN 0.753 nan 8.270 nan 0.000 0.525 235 G N 0.904 109.736 108.800 0.053 0.000 2.464 235 G HA2 -0.196 3.786 3.960 0.037 0.000 0.217 235 G HA3 -0.196 3.786 3.960 0.037 0.000 0.217 235 G C 1.240 176.181 174.900 0.068 0.000 1.138 235 G CA 0.217 45.323 45.100 0.009 0.000 0.793 235 G HN 0.447 nan 8.290 nan 0.000 0.539 236 N N 0.329 119.092 118.700 0.105 0.000 2.091 236 N HA -0.203 4.559 4.740 0.037 0.000 0.193 236 N C 1.871 177.460 175.510 0.131 0.000 1.021 236 N CA 1.451 54.545 53.050 0.074 0.000 0.862 236 N CB -0.285 38.208 38.487 0.011 0.000 1.018 236 N HN 0.371 nan 8.380 nan 0.000 0.429 237 H N 0.447 119.596 119.070 0.133 0.000 2.319 237 H HA -0.054 4.523 4.556 0.035 0.000 0.299 237 H C 2.042 177.514 175.328 0.239 0.000 1.092 237 H CA 1.052 57.245 56.048 0.241 0.000 1.302 237 H CB -0.465 29.527 29.762 0.383 0.000 1.373 237 H HN 0.112 nan 8.280 nan 0.000 0.497 238 L N 0.107 121.489 121.223 0.265 0.000 2.017 238 L HA -0.130 4.232 4.340 0.037 0.000 0.208 238 L C 2.706 179.579 176.870 0.005 0.000 1.073 238 L CA 1.538 56.405 54.840 0.044 0.000 0.745 238 L CB -0.825 41.139 42.059 -0.158 0.000 0.894 238 L HN 0.322 nan 8.230 nan 0.000 0.432 239 A N 0.022 122.845 122.820 0.006 0.000 1.865 239 A HA -0.195 4.147 4.320 0.037 0.000 0.217 239 A C 2.330 179.910 177.584 -0.007 0.000 1.191 239 A CA 1.928 53.953 52.037 -0.019 0.000 0.623 239 A CB -0.890 18.090 19.000 -0.033 0.000 0.826 239 A HN 0.357 nan 8.150 nan 0.000 0.444 240 I N -0.242 120.341 120.570 0.021 0.000 2.264 240 I HA -0.307 3.885 4.170 0.037 0.000 0.248 240 I C 2.907 179.033 176.117 0.015 0.000 1.111 240 I CA 1.115 62.425 61.300 0.017 0.000 1.382 240 I CB -0.232 37.782 38.000 0.024 0.000 1.060 240 I HN 0.376 nan 8.210 nan 0.000 0.418 241 A N -0.267 122.583 122.820 0.051 0.000 1.897 241 A HA -0.191 4.151 4.320 0.037 0.000 0.215 241 A C 2.436 179.966 177.584 -0.091 0.000 1.181 241 A CA 1.576 53.610 52.037 -0.004 0.000 0.620 241 A CB -1.131 17.885 19.000 0.027 0.000 0.821 241 A HN 0.534 nan 8.150 nan 0.000 0.443 242 C N -0.764 118.492 119.300 -0.074 0.000 2.429 242 C HA 0.032 4.514 4.460 0.037 0.000 0.277 242 C C 3.293 178.242 174.990 -0.068 0.000 1.262 242 C CA 0.788 59.759 59.018 -0.078 0.000 1.733 242 C CB -1.413 26.288 27.740 -0.066 0.000 2.010 242 C HN 0.695 nan 8.230 nan 0.000 0.483 243 A N 0.329 123.118 122.820 -0.052 0.000 1.877 243 A HA -0.102 4.240 4.320 0.037 0.000 0.216 243 A C 2.323 179.876 177.584 -0.052 0.000 1.186 243 A CA 2.138 54.150 52.037 -0.040 0.000 0.620 243 A CB -0.831 18.151 19.000 -0.029 0.000 0.822 243 A HN 0.359 nan 8.150 nan 0.000 0.443 244 V N -0.121 119.744 119.914 -0.082 0.000 2.343 244 V HA -0.259 3.883 4.120 0.037 0.000 0.247 244 V C 3.057 179.022 176.094 -0.216 0.000 1.051 244 V CA 1.964 64.189 62.300 -0.125 0.000 1.036 244 V CB -1.165 30.556 31.823 -0.169 0.000 0.654 244 V HN 0.626 nan 8.190 nan 0.000 0.451 245 A N -0.157 122.489 122.820 -0.290 0.000 1.933 245 A HA -0.114 4.228 4.320 0.037 0.000 0.218 245 A C 2.383 179.958 177.584 -0.015 0.000 1.175 245 A CA 2.071 53.968 52.037 -0.234 0.000 0.628 245 A CB -0.681 18.239 19.000 -0.134 0.000 0.814 245 A HN 0.579 nan 8.150 nan 0.000 0.444 246 A N -0.408 122.397 122.820 -0.026 0.000 1.968 246 A HA -0.075 4.267 4.320 0.037 0.000 0.217 246 A C 2.174 179.776 177.584 0.029 0.000 1.169 246 A CA 1.579 53.621 52.037 0.009 0.000 0.638 246 A CB -0.427 18.570 19.000 -0.006 0.000 0.812 246 A HN 0.560 nan 8.150 nan 0.000 0.446 247 R N -0.164 120.352 120.500 0.026 0.000 2.081 247 R HA -0.092 4.270 4.340 0.037 0.000 0.235 247 R C 2.168 178.517 176.300 0.082 0.000 1.131 247 R CA 1.626 57.756 56.100 0.050 0.000 0.960 247 R CB -0.390 29.943 30.300 0.054 0.000 0.856 247 R HN 0.409 nan 8.270 nan 0.000 0.436 248 A N -0.395 122.496 122.820 0.119 0.000 1.897 248 A HA -0.102 4.240 4.320 0.037 0.000 0.215 248 A C 2.087 179.763 177.584 0.154 0.000 1.181 248 A CA 1.727 53.878 52.037 0.190 0.000 0.620 248 A CB -0.603 18.641 19.000 0.407 0.000 0.821 248 A HN 0.593 nan 8.150 nan 0.000 0.443 249 T N -4.899 109.742 114.554 0.146 0.000 3.060 249 T HA 0.415 4.787 4.350 0.037 0.000 0.249 249 T C 1.348 176.089 174.700 0.069 0.000 1.079 249 T CA 1.075 63.239 62.100 0.105 0.000 1.013 249 T CB 0.267 69.202 68.868 0.112 0.000 0.975 249 T HN 1.683 nan 8.240 nan 0.000 0.518 250 G N 1.995 110.832 108.800 0.061 0.000 2.148 250 G HA2 -0.243 3.739 3.960 0.037 0.000 0.254 250 G HA3 -0.243 3.739 3.960 0.037 0.000 0.254 250 G C 0.015 174.934 174.900 0.032 0.000 0.981 250 G CA 0.089 45.215 45.100 0.043 0.000 0.670 250 G HN 0.795 nan 8.290 nan 0.000 0.528 251 R N -0.598 119.921 120.500 0.032 0.000 2.808 251 R HA 0.572 4.934 4.340 0.037 0.000 0.272 251 R C -3.094 173.208 176.300 0.003 0.000 0.995 251 R CA -2.357 53.753 56.100 0.017 0.000 0.917 251 R CB 1.332 31.643 30.300 0.019 0.000 1.217 251 R HN -0.002 nan 8.270 nan 0.000 0.471 252 P HA 0.025 nan 4.420 nan 0.000 0.267 252 P C -0.688 176.579 177.300 -0.056 0.000 1.200 252 P CA -0.188 62.894 63.100 -0.029 0.000 0.772 252 P CB 0.461 32.139 31.700 -0.037 0.000 0.855 253 C N 3.167 122.425 119.300 -0.070 0.000 2.609 253 C HA 0.502 4.984 4.460 0.037 0.000 0.313 253 C C -0.092 174.825 174.990 -0.123 0.000 1.175 253 C CA -0.430 58.526 59.018 -0.102 0.000 1.434 253 C CB 1.956 29.659 27.740 -0.062 0.000 2.005 253 C HN 0.513 nan 8.230 nan 0.000 0.471 254 K N 2.490 122.778 120.400 -0.187 0.000 2.316 254 K HA 0.777 5.119 4.320 0.037 0.000 0.251 254 K C -1.362 175.185 176.600 -0.088 0.000 0.934 254 K CA -0.466 55.730 56.287 -0.151 0.000 0.802 254 K CB 1.969 34.334 32.500 -0.225 0.000 1.171 254 K HN 0.821 nan 8.250 nan 0.000 0.426 255 M N 4.207 123.762 119.600 -0.076 0.000 2.271 255 M HA 0.373 4.875 4.480 0.037 0.000 0.285 255 M C -1.634 174.610 176.300 -0.093 0.000 1.059 255 M CA -0.614 54.650 55.300 -0.061 0.000 0.940 255 M CB 1.656 34.170 32.600 -0.142 0.000 1.636 255 M HN 0.669 nan 8.290 nan 0.000 0.460 256 R N 3.654 124.135 120.500 -0.032 0.000 2.686 256 R HA 0.505 4.867 4.340 0.037 0.000 0.283 256 R C -2.044 174.331 176.300 0.125 0.000 0.978 256 R CA -0.732 55.317 56.100 -0.085 0.000 0.897 256 R CB 1.323 31.549 30.300 -0.125 0.000 1.192 256 R HN 0.703 nan 8.270 nan 0.000 0.457 257 Y N 1.000 121.340 120.300 0.068 0.000 2.304 257 Y HA 0.111 4.686 4.550 0.041 0.000 0.327 257 Y C 0.546 176.522 175.900 0.125 0.000 1.209 257 Y CA -0.851 57.320 58.100 0.118 0.000 1.299 257 Y CB 1.176 39.706 38.460 0.115 0.000 1.249 257 Y HN 0.484 nan 8.280 nan 0.000 0.519 258 D N 1.712 122.309 120.400 0.327 0.000 2.302 258 D HA 0.071 4.733 4.640 0.037 0.000 0.248 258 D C 1.069 177.473 176.300 0.175 0.000 1.094 258 D CA -0.073 54.061 54.000 0.224 0.000 0.897 258 D CB 1.287 42.200 40.800 0.187 0.000 1.200 258 D HN 0.532 nan 8.370 nan 0.000 0.429 259 R N 2.052 122.630 120.500 0.130 0.000 2.134 259 R HA -0.243 4.119 4.340 0.037 0.000 0.248 259 R C 0.984 177.352 176.300 0.113 0.000 1.143 259 R CA 2.243 58.403 56.100 0.100 0.000 0.957 259 R CB -0.074 30.268 30.300 0.070 0.000 0.867 259 R HN 0.479 nan 8.270 nan 0.000 0.441 260 D N -0.433 120.044 120.400 0.128 0.000 2.104 260 D HA -0.148 4.514 4.640 0.037 0.000 0.194 260 D C 1.507 177.873 176.300 0.109 0.000 0.994 260 D CA 1.796 55.905 54.000 0.181 0.000 0.830 260 D CB -0.200 40.742 40.800 0.238 0.000 0.959 260 D HN 0.308 nan 8.370 nan 0.000 0.452 261 D N 0.101 120.531 120.400 0.049 0.000 2.097 261 D HA -0.149 4.513 4.640 0.037 0.000 0.195 261 D C 1.656 177.883 176.300 -0.123 0.000 0.989 261 D CA 0.752 54.710 54.000 -0.069 0.000 0.827 261 D CB -0.417 40.305 40.800 -0.129 0.000 0.966 261 D HN 0.148 nan 8.370 nan 0.000 0.456 262 D N 0.141 120.540 120.400 -0.001 0.000 2.127 262 D HA -0.184 4.478 4.640 0.037 0.000 0.190 262 D C 2.003 178.356 176.300 0.090 0.000 1.000 262 D CA 1.065 55.142 54.000 0.129 0.000 0.839 262 D CB -0.078 40.886 40.800 0.272 0.000 0.955 262 D HN 0.188 nan 8.370 nan 0.000 0.446 263 M N -0.103 119.542 119.600 0.075 0.000 2.374 263 M HA -0.118 4.384 4.480 0.037 0.000 0.264 263 M C 2.285 178.620 176.300 0.059 0.000 1.067 263 M CA 0.479 55.814 55.300 0.058 0.000 1.103 263 M CB 0.167 32.802 32.600 0.059 0.000 1.402 263 M HN -0.034 nan 8.290 nan 0.000 0.444 264 V N 0.142 120.083 119.914 0.046 0.000 2.535 264 V HA -0.143 3.999 4.120 0.037 0.000 0.246 264 V C 1.992 178.171 176.094 0.141 0.000 1.045 264 V CA 1.289 63.621 62.300 0.054 0.000 1.058 264 V CB -0.038 31.769 31.823 -0.027 0.000 0.689 264 V HN 0.380 nan 8.190 nan 0.000 0.461 265 I N 0.031 120.643 120.570 0.069 0.000 2.584 265 I HA -0.031 4.161 4.170 0.037 0.000 0.255 265 I C 1.419 177.628 176.117 0.154 0.000 1.145 265 I CA 0.855 62.233 61.300 0.129 0.000 1.462 265 I CB -0.217 37.718 38.000 -0.107 0.000 1.102 265 I HN 0.439 nan 8.210 nan 0.000 0.433 266 T N -1.265 113.368 114.554 0.132 0.000 2.897 266 T HA 0.597 4.969 4.350 0.037 0.000 0.278 266 T C 0.352 175.140 174.700 0.146 0.000 0.981 266 T CA -0.514 61.680 62.100 0.156 0.000 0.973 266 T CB 1.679 70.690 68.868 0.238 0.000 1.092 266 T HN 0.143 nan 8.240 nan 0.000 0.543 267 G N -0.233 108.663 108.800 0.159 0.000 2.537 267 G HA2 0.678 4.660 3.960 0.037 0.000 0.297 267 G HA3 0.678 4.660 3.960 0.037 0.000 0.297 267 G C -1.043 173.993 174.900 0.228 0.000 1.310 267 G CA -1.051 44.132 45.100 0.139 0.000 1.027 267 G HN 0.838 nan 8.290 nan 0.000 0.505 268 K N -1.227 119.275 120.400 0.170 0.000 2.548 268 K HA 0.364 4.706 4.320 0.037 0.000 0.282 268 K C -0.456 176.237 176.600 0.155 0.000 1.006 268 K CA -0.955 55.413 56.287 0.135 0.000 0.892 268 K CB 2.207 34.772 32.500 0.107 0.000 1.499 268 K HN 0.487 nan 8.250 nan 0.000 0.433 269 R N 1.387 122.002 120.500 0.192 0.000 2.640 269 R HA 0.001 4.363 4.340 0.037 0.000 0.270 269 R C -0.720 175.687 176.300 0.178 0.000 1.024 269 R CA 0.108 56.304 56.100 0.159 0.000 1.085 269 R CB 0.166 30.347 30.300 -0.199 0.000 0.963 269 R HN 0.530 nan 8.270 nan 0.000 0.426 270 H N 2.325 121.471 119.070 0.126 0.000 2.929 270 H HA -0.001 4.577 4.556 0.036 0.000 0.317 270 H C -0.281 175.200 175.328 0.256 0.000 1.031 270 H CA 0.364 56.501 56.048 0.148 0.000 1.466 270 H CB 0.407 30.256 29.762 0.147 0.000 1.482 270 H HN 0.533 nan 8.280 nan 0.000 0.561 271 D N 2.917 123.480 120.400 0.271 0.000 2.304 271 D HA 0.159 4.821 4.640 0.037 0.000 0.247 271 D C -0.367 176.072 176.300 0.232 0.000 1.089 271 D CA -0.241 53.935 54.000 0.293 0.000 0.910 271 D CB 0.978 41.898 40.800 0.200 0.000 1.199 271 D HN 0.283 nan 8.370 nan 0.000 0.426 272 F N -0.466 119.483 119.950 -0.001 0.000 2.561 272 F HA 0.421 4.970 4.527 0.036 0.000 0.321 272 F C 0.698 176.427 175.800 -0.119 0.000 1.065 272 F CA -1.218 56.745 58.000 -0.061 0.000 0.934 272 F CB 2.528 41.448 39.000 -0.133 0.000 1.215 272 F HN 0.121 nan 8.300 nan 0.000 0.471 273 R N 3.119 123.660 120.500 0.069 0.000 2.494 273 R HA 0.698 5.060 4.340 0.037 0.000 0.305 273 R C -1.773 174.594 176.300 0.112 0.000 0.959 273 R CA -0.461 55.653 56.100 0.023 0.000 0.864 273 R CB 1.270 31.583 30.300 0.021 0.000 1.159 273 R HN 0.718 nan 8.270 nan 0.000 0.446 274 I N 4.201 124.826 120.570 0.091 0.000 2.439 274 I HA 0.382 4.574 4.170 0.037 0.000 0.285 274 I C -0.322 176.078 176.117 0.472 0.000 1.021 274 I CA -0.761 60.729 61.300 0.318 0.000 1.091 274 I CB 2.035 40.206 38.000 0.284 0.000 1.242 274 I HN 0.488 nan 8.210 nan 0.000 0.439 275 R N 5.795 126.554 120.500 0.432 0.000 2.346 275 R HA 0.592 4.954 4.340 0.037 0.000 0.311 275 R C -1.530 174.999 176.300 0.380 0.000 0.983 275 R CA -0.481 55.797 56.100 0.296 0.000 0.880 275 R CB 1.546 31.945 30.300 0.165 0.000 1.100 275 R HN 0.538 nan 8.270 nan 0.000 0.453 276 Y N -0.566 119.847 120.300 0.189 0.000 2.581 276 Y HA 0.668 5.240 4.550 0.037 0.000 0.345 276 Y C -0.993 174.857 175.900 -0.084 0.000 1.036 276 Y CA -1.417 56.686 58.100 0.005 0.000 1.042 276 Y CB 1.549 40.040 38.460 0.051 0.000 1.289 276 Y HN 0.314 nan 8.280 nan 0.000 0.471 277 R N 2.404 122.865 120.500 -0.065 0.000 2.574 277 R HA 0.726 5.088 4.340 0.037 0.000 0.288 277 R C -1.939 174.298 176.300 -0.106 0.000 1.004 277 R CA -0.802 55.246 56.100 -0.087 0.000 0.895 277 R CB 2.810 33.044 30.300 -0.111 0.000 1.191 277 R HN 0.936 nan 8.270 nan 0.000 0.444 278 I N 0.661 121.196 120.570 -0.058 0.000 2.722 278 I HA 0.741 4.933 4.170 0.037 0.000 0.295 278 I C -1.089 174.978 176.117 -0.082 0.000 1.161 278 I CA -0.409 60.832 61.300 -0.098 0.000 1.032 278 I CB 2.351 40.298 38.000 -0.088 0.000 1.244 278 I HN 0.710 nan 8.210 nan 0.000 0.421 279 G N 4.667 113.419 108.800 -0.079 0.000 2.619 279 G HA2 0.879 4.861 3.960 0.037 0.000 0.296 279 G HA3 0.879 4.861 3.960 0.037 0.000 0.296 279 G C -1.921 172.954 174.900 -0.041 0.000 1.334 279 G CA -0.414 44.654 45.100 -0.054 0.000 0.934 279 G HN 0.937 nan 8.290 nan 0.000 0.476 280 A N 0.526 123.345 122.820 -0.002 0.000 2.556 280 A HA 0.732 5.074 4.320 0.037 0.000 0.294 280 A C -0.406 177.211 177.584 0.054 0.000 1.091 280 A CA -0.549 51.494 52.037 0.010 0.000 0.704 280 A CB 1.397 20.391 19.000 -0.010 0.000 1.300 280 A HN 0.769 nan 8.150 nan 0.000 0.406 281 D N 0.084 120.505 120.400 0.035 0.000 2.261 281 D HA 0.216 4.878 4.640 0.037 0.000 0.233 281 D C 1.436 177.796 176.300 0.100 0.000 1.348 281 D CA 1.496 55.520 54.000 0.040 0.000 0.886 281 D CB 0.457 41.275 40.800 0.031 0.000 1.227 281 D HN 0.684 nan 8.370 nan 0.000 0.498 282 A N -0.033 122.827 122.820 0.067 0.000 2.021 282 A HA -0.015 4.327 4.320 0.037 0.000 0.216 282 A C 1.969 179.611 177.584 0.096 0.000 1.163 282 A CA 1.257 53.359 52.037 0.109 0.000 0.676 282 A CB -0.480 18.543 19.000 0.039 0.000 0.818 282 A HN 0.483 nan 8.150 nan 0.000 0.453 283 S N -2.175 113.555 115.700 0.051 0.000 2.522 283 S HA 0.364 4.855 4.470 0.037 0.000 0.227 283 S C 1.463 176.068 174.600 0.009 0.000 0.986 283 S CA 1.229 59.445 58.200 0.027 0.000 0.929 283 S CB 0.044 63.256 63.200 0.020 0.000 0.769 283 S HN 1.715 nan 8.310 nan 0.000 0.529 284 G N 0.676 109.483 108.800 0.011 0.000 2.316 284 G HA2 -0.167 3.815 3.960 0.037 0.000 0.203 284 G HA3 -0.167 3.815 3.960 0.037 0.000 0.203 284 G C -0.080 174.800 174.900 -0.034 0.000 0.999 284 G CA -0.359 44.723 45.100 -0.029 0.000 0.649 284 G HN 0.381 nan 8.290 nan 0.000 0.489 285 K N 1.228 121.623 120.400 -0.008 0.000 2.448 285 K HA 0.359 4.701 4.320 0.037 0.000 0.278 285 K C 0.993 177.583 176.600 -0.016 0.000 1.009 285 K CA -0.097 56.191 56.287 0.000 0.000 0.995 285 K CB 0.726 33.248 32.500 0.036 0.000 0.917 285 K HN 0.412 nan 8.250 nan 0.000 0.481 286 L N 3.215 124.414 121.223 -0.040 0.000 2.452 286 L HA 0.042 4.403 4.340 0.037 0.000 0.267 286 L C 1.661 178.495 176.870 -0.061 0.000 1.188 286 L CA 0.022 54.820 54.840 -0.069 0.000 0.821 286 L CB 0.249 42.246 42.059 -0.103 0.000 1.102 286 L HN 0.512 nan 8.230 nan 0.000 0.470 287 L N 0.918 122.103 121.223 -0.062 0.000 2.653 287 L HA 0.429 4.791 4.340 0.037 0.000 0.230 287 L C 0.689 177.516 176.870 -0.072 0.000 1.055 287 L CA 0.201 55.008 54.840 -0.054 0.000 0.880 287 L CB 0.658 42.696 42.059 -0.035 0.000 1.195 287 L HN 0.765 nan 8.230 nan 0.000 0.492 288 G N -0.494 108.258 108.800 -0.080 0.000 2.523 288 G HA2 0.651 4.633 3.960 0.037 0.000 0.291 288 G HA3 0.651 4.633 3.960 0.037 0.000 0.291 288 G C -2.133 172.706 174.900 -0.102 0.000 1.450 288 G CA 0.139 45.190 45.100 -0.081 0.000 0.790 288 G HN 0.035 nan 8.290 nan 0.000 0.496 289 A N 0.365 123.116 122.820 -0.116 0.000 2.480 289 A HA 0.665 5.007 4.320 0.037 0.000 0.289 289 A C -1.941 175.476 177.584 -0.279 0.000 1.044 289 A CA -0.437 51.457 52.037 -0.238 0.000 0.761 289 A CB 2.074 20.957 19.000 -0.196 0.000 1.289 289 A HN 0.790 nan 8.150 nan 0.000 0.401 290 D N 1.394 121.581 120.400 -0.356 0.000 2.375 290 D HA 0.746 5.408 4.640 0.037 0.000 0.247 290 D C -1.283 174.818 176.300 -0.332 0.000 1.061 290 D CA 0.006 53.878 54.000 -0.213 0.000 0.834 290 D CB 0.682 41.422 40.800 -0.100 0.000 1.247 290 D HN 0.231 nan 8.370 nan 0.000 0.489 291 F N 1.912 121.903 119.950 0.067 0.000 2.551 291 F HA 0.552 5.101 4.527 0.037 0.000 0.316 291 F C -0.210 175.623 175.800 0.055 0.000 1.089 291 F CA -0.964 57.102 58.000 0.110 0.000 0.915 291 F CB 2.181 41.221 39.000 0.066 0.000 1.186 291 F HN 0.006 nan 8.300 nan 0.000 0.456 292 V N 1.928 122.052 119.914 0.350 0.000 2.604 292 V HA 0.403 4.545 4.120 0.037 0.000 0.305 292 V C -0.917 175.427 176.094 0.417 0.000 1.043 292 V CA -0.763 61.696 62.300 0.265 0.000 0.888 292 V CB 2.043 34.000 31.823 0.223 0.000 0.995 292 V HN 0.743 nan 8.190 nan 0.000 0.429 293 H N 4.676 123.900 119.070 0.257 0.000 2.547 293 H HA 0.602 5.180 4.556 0.037 0.000 0.342 293 H C -1.060 174.358 175.328 0.149 0.000 1.048 293 H CA -0.796 55.407 56.048 0.258 0.000 1.204 293 H CB 1.822 31.761 29.762 0.295 0.000 1.493 293 H HN 0.400 nan 8.280 nan 0.000 0.511 294 L N 2.946 124.261 121.223 0.153 0.000 2.313 294 L HA 0.631 4.993 4.340 0.037 0.000 0.283 294 L C -0.216 176.458 176.870 -0.325 0.000 1.013 294 L CA -0.750 54.074 54.840 -0.025 0.000 0.816 294 L CB 1.525 43.558 42.059 -0.042 0.000 1.236 294 L HN 0.575 nan 8.230 nan 0.000 0.419 295 A N 3.746 126.318 122.820 -0.414 0.000 2.343 295 A HA 0.582 4.924 4.320 0.037 0.000 0.316 295 A C -0.628 176.809 177.584 -0.245 0.000 1.104 295 A CA -0.686 50.939 52.037 -0.687 0.000 0.768 295 A CB 1.394 19.781 19.000 -1.021 0.000 1.213 295 A HN 0.730 nan 8.150 nan 0.000 0.456 296 R N 2.566 122.965 120.500 -0.168 0.000 2.205 296 R HA 0.291 4.653 4.340 0.037 0.000 0.342 296 R C -0.334 175.942 176.300 -0.039 0.000 1.058 296 R CA -0.192 55.857 56.100 -0.085 0.000 0.904 296 R CB 0.289 30.526 30.300 -0.105 0.000 1.089 296 R HN 0.846 nan 8.270 nan 0.000 0.471 297 C N 2.829 122.152 119.300 0.039 0.000 2.780 297 C HA 0.330 4.811 4.460 0.037 0.000 0.267 297 C C 1.181 176.148 174.990 -0.039 0.000 1.266 297 C CA 0.346 59.383 59.018 0.032 0.000 1.709 297 C CB -0.973 26.896 27.740 0.217 0.000 1.975 297 C HN 1.079 nan 8.230 nan 0.000 0.582 298 G N 0.918 109.720 108.800 0.004 0.000 2.698 298 G HA2 -0.203 3.779 3.960 0.037 0.000 0.225 298 G HA3 -0.203 3.779 3.960 0.037 0.000 0.225 298 G C 0.216 175.229 174.900 0.188 0.000 1.345 298 G CA 0.034 45.150 45.100 0.027 0.000 0.871 298 G HN 0.625 nan 8.290 nan 0.000 0.540 299 W N 0.461 121.749 121.300 -0.019 0.000 3.180 299 W HA 0.507 5.188 4.660 0.035 0.000 0.254 299 W C 0.521 177.153 176.519 0.187 0.000 1.318 299 W CA 0.949 58.343 57.345 0.080 0.000 1.608 299 W CB -0.979 28.534 29.460 0.088 0.000 1.124 299 W HN 1.492 nan 8.180 nan 0.000 0.694 300 S N -0.799 114.657 115.700 -0.407 0.000 2.570 300 S HA 0.596 5.088 4.470 0.037 0.000 0.270 300 S C 0.646 174.830 174.600 -0.693 0.000 1.149 300 S CA 0.034 57.886 58.200 -0.580 0.000 0.837 300 S CB 1.340 63.706 63.200 -1.390 0.000 1.124 300 S HN 0.113 nan 8.310 nan 0.000 0.465 301 A N 2.325 124.612 122.820 -0.888 0.000 1.902 301 A HA 0.048 4.390 4.320 0.037 0.000 0.217 301 A C 1.386 178.648 177.584 -0.537 0.000 1.181 301 A CA 2.001 53.403 52.037 -1.058 0.000 0.623 301 A CB -1.474 17.057 19.000 -0.783 0.000 0.818 301 A HN 1.211 nan 8.150 nan 0.000 0.443 302 D N -1.511 118.661 120.400 -0.380 0.000 3.899 302 D HA -0.256 4.405 4.640 0.037 0.000 0.146 302 D C 0.398 176.635 176.300 -0.104 0.000 0.820 302 D CA 2.260 56.141 54.000 -0.199 0.000 1.056 302 D CB -1.140 39.564 40.800 -0.161 0.000 0.474 302 D HN 0.309 nan 8.370 nan 0.000 0.457 303 L N 0.868 122.079 121.223 -0.021 0.000 2.910 303 L HA 0.183 4.545 4.340 0.037 0.000 0.252 303 L C 2.093 178.934 176.870 -0.048 0.000 1.195 303 L CA -0.101 54.757 54.840 0.031 0.000 1.003 303 L CB 0.533 42.690 42.059 0.162 0.000 1.328 303 L HN 0.099 nan 8.230 nan 0.000 0.540 304 S N 0.718 116.390 115.700 -0.047 0.000 2.392 304 S HA -0.258 4.234 4.470 0.037 0.000 0.232 304 S C 1.854 176.358 174.600 -0.161 0.000 1.041 304 S CA 1.694 59.841 58.200 -0.088 0.000 1.026 304 S CB -0.186 63.012 63.200 -0.004 0.000 0.845 304 S HN 0.476 nan 8.310 nan 0.000 0.465 305 L N 2.217 123.381 121.223 -0.098 0.000 1.955 305 L HA -0.076 4.286 4.340 0.037 0.000 0.213 305 L C -0.969 175.906 176.870 0.008 0.000 1.072 305 L CA 1.648 56.469 54.840 -0.033 0.000 0.755 305 L CB -1.165 40.894 42.059 -0.000 0.000 0.888 305 L HN 0.208 nan 8.230 nan 0.000 0.432 306 P HA -0.111 nan 4.420 nan 0.000 0.217 306 P C 1.964 179.216 177.300 -0.078 0.000 1.150 306 P CA 1.247 64.456 63.100 0.182 0.000 0.832 306 P CB -0.074 31.894 31.700 0.447 0.000 0.787 307 V N 0.149 119.761 119.914 -0.503 0.000 2.255 307 V HA -0.286 3.856 4.120 0.037 0.000 0.247 307 V C 2.711 178.630 176.094 -0.293 0.000 1.051 307 V CA 2.238 64.099 62.300 -0.732 0.000 1.018 307 V CB -1.625 29.689 31.823 -0.847 0.000 0.641 307 V HN 0.173 nan 8.190 nan 0.000 0.445 308 C N -0.068 119.116 119.300 -0.194 0.000 2.425 308 C HA -0.144 4.338 4.460 0.037 0.000 0.277 308 C C 2.511 177.518 174.990 0.029 0.000 1.280 308 C CA 0.736 59.741 59.018 -0.022 0.000 1.744 308 C CB -1.140 26.576 27.740 -0.040 0.000 1.989 308 C HN 0.596 nan 8.230 nan 0.000 0.491 309 D N 0.269 120.698 120.400 0.049 0.000 2.117 309 D HA -0.133 4.529 4.640 0.037 0.000 0.197 309 D C 2.329 178.734 176.300 0.176 0.000 0.987 309 D CA 1.052 55.142 54.000 0.150 0.000 0.829 309 D CB -0.473 40.527 40.800 0.332 0.000 0.961 309 D HN 0.479 nan 8.370 nan 0.000 0.460 310 R N 0.360 120.955 120.500 0.158 0.000 2.115 310 R HA -0.029 4.333 4.340 0.037 0.000 0.230 310 R C 2.052 178.500 176.300 0.247 0.000 1.111 310 R CA 1.146 57.376 56.100 0.216 0.000 0.976 310 R CB -0.053 30.395 30.300 0.248 0.000 0.870 310 R HN 0.096 nan 8.270 nan 0.000 0.445 311 A N 1.068 123.961 122.820 0.121 0.000 1.883 311 A HA -0.202 4.140 4.320 0.037 0.000 0.217 311 A C 2.205 179.929 177.584 0.235 0.000 1.186 311 A CA 1.656 53.755 52.037 0.103 0.000 0.624 311 A CB -0.474 18.529 19.000 0.005 0.000 0.822 311 A HN 0.326 nan 8.150 nan 0.000 0.444 312 M N -1.059 118.646 119.600 0.175 0.000 2.080 312 M HA -0.150 4.351 4.480 0.037 0.000 0.260 312 M C 1.801 178.298 176.300 0.328 0.000 1.068 312 M CA 1.191 56.542 55.300 0.084 0.000 1.109 312 M CB -0.541 31.799 32.600 -0.434 0.000 1.342 312 M HN 0.284 nan 8.290 nan 0.000 0.405 313 L N -0.756 120.630 121.223 0.272 0.000 2.353 313 L HA -0.174 4.188 4.340 0.037 0.000 0.220 313 L C 1.479 178.375 176.870 0.043 0.000 1.133 313 L CA 1.920 56.808 54.840 0.081 0.000 0.798 313 L CB -1.366 40.537 42.059 -0.260 0.000 0.922 313 L HN 0.341 nan 8.230 nan 0.000 0.445 314 H N -2.420 116.784 119.070 0.222 0.000 2.755 314 H HA 0.354 4.932 4.556 0.037 0.000 0.273 314 H C 1.889 177.298 175.328 0.134 0.000 1.055 314 H CA 0.478 56.627 56.048 0.169 0.000 1.191 314 H CB 0.246 30.024 29.762 0.026 0.000 1.536 314 H HN 0.152 nan 8.280 nan 0.000 0.529 315 A N 1.106 124.034 122.820 0.180 0.000 2.245 315 A HA -0.189 4.153 4.320 0.037 0.000 0.217 315 A C 1.460 179.025 177.584 -0.032 0.000 1.171 315 A CA 1.713 53.687 52.037 -0.104 0.000 0.688 315 A CB -0.284 18.543 19.000 -0.288 0.000 0.781 315 A HN 0.556 nan 8.150 nan 0.000 0.479 316 D N -1.811 118.692 120.400 0.171 0.000 2.350 316 D HA 0.271 4.933 4.640 0.037 0.000 0.213 316 D C 1.253 177.699 176.300 0.244 0.000 1.031 316 D CA 0.885 55.016 54.000 0.218 0.000 0.861 316 D CB -0.822 40.189 40.800 0.351 0.000 0.926 316 D HN 0.583 nan 8.370 nan 0.000 0.520 317 G N 1.080 110.000 108.800 0.200 0.000 2.634 317 G HA2 -0.340 3.642 3.960 0.037 0.000 0.309 317 G HA3 -0.340 3.642 3.960 0.037 0.000 0.309 317 G C 0.660 175.520 174.900 -0.065 0.000 1.265 317 G CA 0.839 46.011 45.100 0.119 0.000 0.998 317 G HN 0.358 nan 8.290 nan 0.000 0.551 318 S N 0.712 116.069 115.700 -0.572 0.000 2.582 318 S HA 0.461 4.953 4.470 0.037 0.000 0.234 318 S C -0.445 173.795 174.600 -0.600 0.000 0.961 318 S CA 0.159 58.044 58.200 -0.525 0.000 0.953 318 S CB 0.028 62.883 63.200 -0.574 0.000 0.800 318 S HN 0.457 nan 8.310 nan 0.000 0.471 319 Y N 0.180 120.495 120.300 0.026 0.000 2.429 319 Y HA 0.533 5.105 4.550 0.037 0.000 0.342 319 Y C -0.276 175.313 175.900 -0.518 0.000 1.004 319 Y CA -1.860 56.133 58.100 -0.177 0.000 1.075 319 Y CB 0.610 39.050 38.460 -0.033 0.000 1.214 319 Y HN 0.137 nan 8.280 nan 0.000 0.455 320 F N 3.364 122.941 119.950 -0.622 0.000 2.506 320 F HA 0.490 5.039 4.527 0.036 0.000 0.371 320 F C -0.842 174.909 175.800 -0.082 0.000 1.078 320 F CA -0.667 57.059 58.000 -0.456 0.000 1.195 320 F CB 0.257 39.108 39.000 -0.248 0.000 1.099 320 F HN 0.186 nan 8.300 nan 0.000 0.548 321 V N 9.695 129.149 119.914 -0.767 0.000 2.409 321 V HA 0.223 4.365 4.120 0.037 0.000 0.290 321 V C -1.707 173.966 176.094 -0.702 0.000 1.017 321 V CA -1.270 60.671 62.300 -0.599 0.000 0.841 321 V CB 1.460 33.164 31.823 -0.198 0.000 1.003 321 V HN 0.644 nan 8.190 nan 0.000 0.426 322 P HA -0.058 nan 4.420 nan 0.000 0.216 322 P C 0.294 177.520 177.300 -0.124 0.000 1.150 322 P CA 1.314 64.219 63.100 -0.325 0.000 0.843 322 P CB 0.369 31.985 31.700 -0.140 0.000 0.787 323 A N -0.865 121.892 122.820 -0.104 0.000 2.374 323 A HA 0.735 5.077 4.320 0.037 0.000 0.305 323 A C -1.418 176.154 177.584 -0.020 0.000 1.053 323 A CA -0.546 51.475 52.037 -0.028 0.000 0.726 323 A CB 0.839 19.829 19.000 -0.016 0.000 1.229 323 A HN 0.111 nan 8.150 nan 0.000 0.431 324 L N 1.747 122.990 121.223 0.033 0.000 2.549 324 L HA 0.713 5.075 4.340 0.037 0.000 0.259 324 L C -0.901 176.034 176.870 0.108 0.000 0.934 324 L CA -0.442 54.427 54.840 0.049 0.000 0.865 324 L CB 1.807 43.884 42.059 0.029 0.000 1.352 324 L HN 0.906 nan 8.230 nan 0.000 0.410 325 R N 4.381 124.947 120.500 0.109 0.000 2.686 325 R HA 0.820 5.182 4.340 0.037 0.000 0.283 325 R C -1.884 174.507 176.300 0.151 0.000 0.978 325 R CA -0.569 55.614 56.100 0.138 0.000 0.897 325 R CB 1.923 32.275 30.300 0.087 0.000 1.192 325 R HN 0.656 nan 8.270 nan 0.000 0.457 326 I N 1.941 122.582 120.570 0.118 0.000 2.569 326 I HA 0.291 4.483 4.170 0.037 0.000 0.290 326 I C -0.874 175.192 176.117 -0.085 0.000 1.088 326 I CA -0.561 60.740 61.300 0.002 0.000 1.047 326 I CB 2.278 40.214 38.000 -0.106 0.000 1.237 326 I HN 0.573 nan 8.210 nan 0.000 0.421 327 E N 4.524 124.674 120.200 -0.083 0.000 2.155 327 E HA 0.439 4.811 4.350 0.037 0.000 0.264 327 E C -1.319 175.213 176.600 -0.112 0.000 0.886 327 E CA -0.369 55.971 56.400 -0.100 0.000 0.752 327 E CB 1.638 31.338 29.700 0.000 0.000 1.133 327 E HN 0.534 nan 8.360 nan 0.000 0.414 328 S N 5.102 120.673 115.700 -0.214 0.000 2.498 328 S HA 0.283 4.775 4.470 0.037 0.000 0.324 328 S C -0.948 173.558 174.600 -0.157 0.000 1.071 328 S CA -0.679 57.459 58.200 -0.105 0.000 1.113 328 S CB 0.380 63.495 63.200 -0.142 0.000 0.976 328 S HN 0.546 nan 8.310 nan 0.000 0.462 329 H N 5.066 124.133 119.070 -0.006 0.000 2.517 329 H HA 0.391 4.969 4.556 0.036 0.000 0.317 329 H C -0.033 175.270 175.328 -0.041 0.000 1.080 329 H CA -0.793 55.242 56.048 -0.021 0.000 1.301 329 H CB 0.843 30.593 29.762 -0.020 0.000 1.425 329 H HN 0.527 nan 8.280 nan 0.000 0.471 330 R N 4.179 124.733 120.500 0.089 0.000 2.275 330 R HA 0.355 4.717 4.340 0.037 0.000 0.326 330 R C -0.634 175.748 176.300 0.136 0.000 0.973 330 R CA -0.656 55.501 56.100 0.095 0.000 0.854 330 R CB 0.634 31.002 30.300 0.113 0.000 1.156 330 R HN 0.449 nan 8.270 nan 0.000 0.487 331 L N 2.833 124.102 121.223 0.076 0.000 2.295 331 L HA 0.530 4.892 4.340 0.037 0.000 0.285 331 L C 0.651 177.517 176.870 -0.007 0.000 1.035 331 L CA -0.834 54.006 54.840 0.000 0.000 0.806 331 L CB 1.489 43.526 42.059 -0.035 0.000 1.214 331 L HN 0.405 nan 8.230 nan 0.000 0.426 332 R N 1.988 122.381 120.500 -0.178 0.000 2.312 332 R HA 0.604 4.966 4.340 0.037 0.000 0.311 332 R C -0.708 175.536 176.300 -0.093 0.000 1.004 332 R CA -0.183 55.796 56.100 -0.202 0.000 0.902 332 R CB 1.269 31.140 30.300 -0.716 0.000 1.073 332 R HN 0.815 nan 8.270 nan 0.000 0.457 333 T N 0.243 114.791 114.554 -0.010 0.000 2.883 333 T HA 0.285 4.657 4.350 0.037 0.000 0.296 333 T C -0.348 174.380 174.700 0.047 0.000 1.117 333 T CA -1.097 60.988 62.100 -0.025 0.000 1.006 333 T CB 1.368 70.176 68.868 -0.099 0.000 1.191 333 T HN 0.588 nan 8.240 nan 0.000 0.508 334 N N 1.647 120.365 118.700 0.032 0.000 3.303 334 N HA 0.374 5.136 4.740 0.037 0.000 0.304 334 N C 0.046 175.589 175.510 0.055 0.000 1.302 334 N CA -0.187 52.926 53.050 0.106 0.000 1.213 334 N CB 0.149 38.678 38.487 0.071 0.000 1.481 334 N HN 0.856 nan 8.380 nan 0.000 0.546 335 T N -3.661 110.892 114.554 -0.001 0.000 2.654 335 T HA 0.355 4.727 4.350 0.037 0.000 0.289 335 T C -0.316 174.251 174.700 -0.222 0.000 1.062 335 T CA -0.999 61.033 62.100 -0.113 0.000 1.041 335 T CB 0.748 69.367 68.868 -0.414 0.000 1.417 335 T HN -0.150 nan 8.240 nan 0.000 0.510 336 Q N 1.701 121.376 119.800 -0.210 0.000 2.283 336 Q HA 0.326 4.688 4.340 0.037 0.000 0.301 336 Q C 0.261 176.179 176.000 -0.137 0.000 1.063 336 Q CA 0.314 55.937 55.803 -0.300 0.000 0.952 336 Q CB 0.462 29.210 28.738 0.017 0.000 1.166 336 Q HN 0.698 nan 8.270 nan 0.000 0.381 337 S N 4.160 119.804 115.700 -0.094 0.000 2.437 337 S HA 0.075 4.567 4.470 0.037 0.000 0.304 337 S C -0.020 174.488 174.600 -0.152 0.000 1.167 337 S CA -0.754 57.349 58.200 -0.162 0.000 1.106 337 S CB -0.188 62.819 63.200 -0.321 0.000 1.099 337 S HN 0.489 nan 8.310 nan 0.000 0.524 338 N N 3.096 121.647 118.700 -0.250 0.000 2.340 338 N HA 0.250 5.012 4.740 0.037 0.000 0.236 338 N C 0.395 175.802 175.510 -0.171 0.000 1.296 338 N CA 0.212 53.053 53.050 -0.350 0.000 0.896 338 N CB 1.092 39.084 38.487 -0.824 0.000 1.127 338 N HN 0.752 nan 8.380 nan 0.000 0.442 339 T N -1.753 112.832 114.554 0.052 0.000 2.612 339 T HA 0.611 4.983 4.350 0.037 0.000 0.296 339 T C -1.328 173.563 174.700 0.318 0.000 1.148 339 T CA -0.421 61.808 62.100 0.215 0.000 1.077 339 T CB 0.089 69.060 68.868 0.173 0.000 1.591 339 T HN 0.491 nan 8.240 nan 0.000 0.479 340 A N 0.853 123.862 122.820 0.314 0.000 2.445 340 A HA 0.626 4.968 4.320 0.037 0.000 0.242 340 A C -0.693 177.184 177.584 0.488 0.000 1.075 340 A CA -0.010 52.274 52.037 0.412 0.000 0.777 340 A CB -0.576 18.717 19.000 0.489 0.000 1.013 340 A HN 0.770 nan 8.150 nan 0.000 0.493 341 F N 1.112 121.226 119.950 0.273 0.000 2.651 341 F HA 0.387 4.938 4.527 0.039 0.000 0.329 341 F C 0.368 176.127 175.800 -0.069 0.000 1.186 341 F CA -0.998 57.109 58.000 0.178 0.000 1.046 341 F CB 1.173 40.170 39.000 -0.005 0.000 1.296 341 F HN 0.815 nan 8.300 nan 0.000 0.497 342 R N 3.909 124.643 120.500 0.390 0.000 4.180 342 R HA -0.066 4.296 4.340 0.037 0.000 0.125 342 R C 1.047 177.109 176.300 -0.396 0.000 0.390 342 R CA 2.095 58.206 56.100 0.019 0.000 0.811 342 R CB -0.576 29.749 30.300 0.042 0.000 1.084 342 R HN 1.211 nan 8.270 nan 0.000 0.234 343 G N 3.579 112.268 108.800 -0.185 0.000 2.308 343 G HA2 -0.336 3.646 3.960 0.037 0.000 0.221 343 G HA3 -0.336 3.646 3.960 0.037 0.000 0.221 343 G C 0.236 175.219 174.900 0.138 0.000 1.032 343 G CA -0.063 44.972 45.100 -0.107 0.000 0.623 343 G HN 0.830 nan 8.290 nan 0.000 0.506 344 F N 0.922 120.820 119.950 -0.087 0.000 2.738 344 F HA 0.067 4.616 4.527 0.037 0.000 0.232 344 F C 1.844 177.604 175.800 -0.067 0.000 1.025 344 F CA 2.641 60.624 58.000 -0.027 0.000 0.895 344 F CB -0.995 38.013 39.000 0.013 0.000 0.839 344 F HN 2.026 nan 8.300 nan 0.000 0.850 345 G N 0.322 109.013 108.800 -0.181 0.000 2.320 345 G HA2 -0.315 3.667 3.960 0.037 0.000 0.242 345 G HA3 -0.315 3.667 3.960 0.037 0.000 0.242 345 G C 1.604 176.379 174.900 -0.209 0.000 1.033 345 G CA 0.824 45.795 45.100 -0.215 0.000 0.620 345 G HN 1.585 nan 8.290 nan 0.000 0.517 346 G N 1.842 110.528 108.800 -0.190 0.000 2.491 346 G HA2 -0.028 3.954 3.960 0.037 0.000 0.218 346 G HA3 -0.028 3.954 3.960 0.037 0.000 0.218 346 G C 0.120 174.903 174.900 -0.196 0.000 1.180 346 G CA 2.123 47.004 45.100 -0.365 0.000 0.774 346 G HN 0.572 nan 8.290 nan 0.000 0.562 347 P HA -0.014 nan 4.420 nan 0.000 0.217 347 P C 1.754 179.065 177.300 0.018 0.000 1.151 347 P CA 1.159 64.279 63.100 0.034 0.000 0.828 347 P CB 0.053 31.773 31.700 0.034 0.000 0.788 348 Q N -0.476 119.200 119.800 -0.208 0.000 2.016 348 Q HA -0.056 4.306 4.340 0.037 0.000 0.200 348 Q C 2.433 178.168 176.000 -0.441 0.000 0.978 348 Q CA 2.035 57.566 55.803 -0.452 0.000 0.833 348 Q CB -1.723 26.237 28.738 -1.296 0.000 0.895 348 Q HN 0.207 nan 8.270 nan 0.000 0.427 349 G N 0.456 109.019 108.800 -0.396 0.000 2.459 349 G HA2 -0.275 3.707 3.960 0.037 0.000 0.217 349 G HA3 -0.275 3.707 3.960 0.037 0.000 0.217 349 G C 1.508 176.361 174.900 -0.078 0.000 1.183 349 G CA 1.106 46.092 45.100 -0.191 0.000 0.776 349 G HN 0.462 nan 8.290 nan 0.000 0.552 350 A N 0.091 122.914 122.820 0.005 0.000 1.972 350 A HA 0.084 4.426 4.320 0.037 0.000 0.219 350 A C 2.342 179.970 177.584 0.073 0.000 1.169 350 A CA 1.698 53.778 52.037 0.072 0.000 0.635 350 A CB -0.354 18.711 19.000 0.109 0.000 0.810 350 A HN 0.465 nan 8.150 nan 0.000 0.446 351 L N 0.180 121.437 121.223 0.057 0.000 2.093 351 L HA 0.050 4.412 4.340 0.037 0.000 0.208 351 L C 2.340 179.301 176.870 0.152 0.000 1.085 351 L CA 2.052 56.952 54.840 0.100 0.000 0.755 351 L CB -1.235 40.865 42.059 0.068 0.000 0.904 351 L HN 0.296 nan 8.230 nan 0.000 0.435 352 G N -0.032 108.835 108.800 0.112 0.000 2.556 352 G HA2 -0.425 3.557 3.960 0.037 0.000 0.220 352 G HA3 -0.425 3.557 3.960 0.037 0.000 0.220 352 G C 1.569 176.555 174.900 0.144 0.000 1.156 352 G CA 1.508 46.714 45.100 0.177 0.000 0.766 352 G HN 0.486 nan 8.290 nan 0.000 0.583 353 M N -0.009 119.626 119.600 0.059 0.000 2.334 353 M HA 0.207 4.709 4.480 0.037 0.000 0.266 353 M C 2.185 178.578 176.300 0.156 0.000 1.082 353 M CA 1.200 56.617 55.300 0.195 0.000 1.141 353 M CB -0.060 32.677 32.600 0.228 0.000 1.380 353 M HN 0.075 nan 8.290 nan 0.000 0.440 354 E N 0.395 120.685 120.200 0.150 0.000 2.077 354 E HA -0.176 4.196 4.350 0.037 0.000 0.193 354 E C 2.191 178.789 176.600 -0.004 0.000 0.989 354 E CA 0.882 57.356 56.400 0.124 0.000 0.800 354 E CB -0.491 29.303 29.700 0.156 0.000 0.746 354 E HN 0.475 nan 8.360 nan 0.000 0.452 355 R N 0.617 121.063 120.500 -0.091 0.000 2.082 355 R HA -0.098 4.264 4.340 0.037 0.000 0.234 355 R C 2.278 178.397 176.300 -0.302 0.000 1.136 355 R CA 1.383 57.318 56.100 -0.275 0.000 0.935 355 R CB -0.768 29.127 30.300 -0.675 0.000 0.842 355 R HN 0.177 nan 8.270 nan 0.000 0.430 356 A N 1.177 123.715 122.820 -0.470 0.000 1.869 356 A HA -0.217 4.125 4.320 0.037 0.000 0.218 356 A C 2.299 179.770 177.584 -0.189 0.000 1.203 356 A CA 1.846 53.548 52.037 -0.559 0.000 0.638 356 A CB -0.799 17.978 19.000 -0.371 0.000 0.831 356 A HN 0.429 nan 8.150 nan 0.000 0.450 357 I N -0.931 119.561 120.570 -0.131 0.000 2.614 357 I HA -0.199 3.993 4.170 0.037 0.000 0.258 357 I C 2.254 178.316 176.117 -0.091 0.000 1.189 357 I CA 1.877 63.091 61.300 -0.143 0.000 1.462 357 I CB -0.069 37.781 38.000 -0.250 0.000 1.092 357 I HN 0.532 nan 8.210 nan 0.000 0.442 358 E N 0.056 120.224 120.200 -0.053 0.000 2.072 358 E HA -0.299 4.073 4.350 0.037 0.000 0.190 358 E C 2.189 178.827 176.600 0.062 0.000 0.982 358 E CA 1.340 57.742 56.400 0.003 0.000 0.803 358 E CB -0.200 29.472 29.700 -0.047 0.000 0.755 358 E HN 0.497 nan 8.360 nan 0.000 0.453 359 H N 0.264 119.253 119.070 -0.134 0.000 2.267 359 H HA -0.150 4.428 4.556 0.037 0.000 0.297 359 H C 2.062 177.232 175.328 -0.262 0.000 1.080 359 H CA 1.784 57.601 56.048 -0.384 0.000 1.278 359 H CB -0.780 28.745 29.762 -0.395 0.000 1.365 359 H HN 0.281 nan 8.280 nan 0.000 0.489 360 L N 0.628 121.780 121.223 -0.118 0.000 1.997 360 L HA -0.235 4.127 4.340 0.037 0.000 0.216 360 L C 2.603 179.393 176.870 -0.133 0.000 1.074 360 L CA 2.498 57.241 54.840 -0.162 0.000 0.763 360 L CB -1.285 40.692 42.059 -0.137 0.000 0.890 360 L HN 0.362 nan 8.230 nan 0.000 0.434 361 A N -0.841 121.928 122.820 -0.085 0.000 1.883 361 A HA -0.208 4.134 4.320 0.037 0.000 0.217 361 A C 2.300 179.866 177.584 -0.029 0.000 1.186 361 A CA 1.711 53.708 52.037 -0.067 0.000 0.624 361 A CB -0.535 18.448 19.000 -0.029 0.000 0.822 361 A HN 0.461 nan 8.150 nan 0.000 0.444 362 R N -0.592 119.935 120.500 0.045 0.000 2.091 362 R HA -0.125 4.237 4.340 0.037 0.000 0.238 362 R C 2.387 178.698 176.300 0.018 0.000 1.136 362 R CA 1.336 57.493 56.100 0.094 0.000 0.959 362 R CB -1.717 28.733 30.300 0.250 0.000 0.856 362 R HN 0.541 nan 8.270 nan 0.000 0.437 363 G N 1.962 110.734 108.800 -0.045 0.000 2.503 363 G HA2 -0.278 3.704 3.960 0.037 0.000 0.221 363 G HA3 -0.278 3.704 3.960 0.037 0.000 0.221 363 G C 1.360 176.206 174.900 -0.091 0.000 1.131 363 G CA 1.363 46.410 45.100 -0.088 0.000 0.756 363 G HN 0.476 nan 8.290 nan 0.000 0.572 364 M N -0.982 118.523 119.600 -0.159 0.000 2.475 364 M HA 0.525 5.027 4.480 0.037 0.000 0.283 364 M C 1.278 177.497 176.300 -0.135 0.000 1.165 364 M CA 0.281 55.435 55.300 -0.243 0.000 0.976 364 M CB 0.470 32.689 32.600 -0.635 0.000 1.428 364 M HN 0.203 nan 8.290 nan 0.000 0.495 365 G N 2.241 110.999 108.800 -0.069 0.000 2.321 365 G HA2 -0.274 3.708 3.960 0.037 0.000 0.287 365 G HA3 -0.274 3.708 3.960 0.037 0.000 0.287 365 G C -0.060 174.814 174.900 -0.043 0.000 1.018 365 G CA 0.382 45.461 45.100 -0.035 0.000 0.855 365 G HN 0.638 nan 8.290 nan 0.000 0.507 366 R N -0.256 120.207 120.500 -0.062 0.000 2.598 366 R HA 0.381 4.743 4.340 0.037 0.000 0.279 366 R C -0.301 175.985 176.300 -0.023 0.000 0.984 366 R CA -0.770 55.298 56.100 -0.053 0.000 0.999 366 R CB 0.695 30.943 30.300 -0.086 0.000 1.114 366 R HN 0.220 nan 8.270 nan 0.000 0.493 367 D N 3.382 123.774 120.400 -0.013 0.000 2.450 367 D HA 0.022 4.684 4.640 0.037 0.000 0.247 367 D C -1.675 174.637 176.300 0.020 0.000 1.162 367 D CA -1.613 52.394 54.000 0.011 0.000 0.879 367 D CB 1.332 42.138 40.800 0.009 0.000 1.163 367 D HN 0.194 nan 8.370 nan 0.000 0.472 368 P HA -0.110 nan 4.420 nan 0.000 0.216 368 P C 1.014 178.342 177.300 0.048 0.000 1.150 368 P CA 1.680 64.805 63.100 0.042 0.000 0.837 368 P CB 0.043 31.796 31.700 0.089 0.000 0.786 369 A N 0.073 122.958 122.820 0.108 0.000 1.908 369 A HA -0.215 4.127 4.320 0.037 0.000 0.218 369 A C 2.180 179.792 177.584 0.045 0.000 1.181 369 A CA 1.615 53.731 52.037 0.132 0.000 0.627 369 A CB -0.986 18.180 19.000 0.276 0.000 0.818 369 A HN 0.076 nan 8.150 nan 0.000 0.445 370 E N -0.620 119.592 120.200 0.021 0.000 2.112 370 E HA -0.086 4.286 4.350 0.037 0.000 0.190 370 E C 1.949 178.499 176.600 -0.084 0.000 0.979 370 E CA 0.644 57.030 56.400 -0.023 0.000 0.814 370 E CB -0.572 29.123 29.700 -0.009 0.000 0.762 370 E HN 0.467 nan 8.360 nan 0.000 0.460 371 L N 1.540 122.711 121.223 -0.086 0.000 1.989 371 L HA -0.197 4.165 4.340 0.037 0.000 0.211 371 L C 2.345 179.089 176.870 -0.210 0.000 1.071 371 L CA 1.821 56.580 54.840 -0.135 0.000 0.749 371 L CB -0.339 41.641 42.059 -0.133 0.000 0.890 371 L HN -0.014 nan 8.230 nan 0.000 0.431 372 R N -0.954 119.423 120.500 -0.205 0.000 2.080 372 R HA -0.180 4.182 4.340 0.037 0.000 0.236 372 R C 2.176 178.093 176.300 -0.639 0.000 1.137 372 R CA 1.514 57.453 56.100 -0.269 0.000 0.943 372 R CB -0.822 29.481 30.300 0.005 0.000 0.846 372 R HN 0.511 nan 8.270 nan 0.000 0.431 373 A N 0.940 123.425 122.820 -0.559 0.000 2.024 373 A HA -0.161 4.181 4.320 0.037 0.000 0.220 373 A C 2.053 179.347 177.584 -0.484 0.000 1.164 373 A CA 1.108 52.717 52.037 -0.714 0.000 0.643 373 A CB -0.353 18.536 19.000 -0.185 0.000 0.806 373 A HN 0.222 nan 8.150 nan 0.000 0.451 374 L N -0.317 120.736 121.223 -0.284 0.000 2.217 374 L HA 0.015 4.377 4.340 0.037 0.000 0.211 374 L C 1.330 178.139 176.870 -0.102 0.000 1.107 374 L CA 1.420 56.176 54.840 -0.140 0.000 0.783 374 L CB -0.235 41.764 42.059 -0.099 0.000 0.919 374 L HN 0.358 nan 8.230 nan 0.000 0.442 375 N N -1.509 117.102 118.700 -0.148 0.000 2.203 375 N HA 0.107 4.869 4.740 0.037 0.000 0.207 375 N C -0.069 175.567 175.510 0.209 0.000 1.130 375 N CA -0.076 52.986 53.050 0.021 0.000 0.861 375 N CB 0.294 38.751 38.487 -0.050 0.000 1.005 375 N HN 0.210 nan 8.380 nan 0.000 0.507 376 F N 0.806 120.883 119.950 0.210 0.000 2.545 376 F HA 0.040 4.589 4.527 0.037 0.000 0.348 376 F C 1.071 176.907 175.800 0.059 0.000 1.163 376 F CA -0.828 57.237 58.000 0.108 0.000 1.331 376 F CB 0.294 39.341 39.000 0.078 0.000 1.138 376 F HN -0.009 nan 8.300 nan 0.000 0.602 377 Y N 1.115 121.595 120.300 0.300 0.000 2.812 377 Y HA -0.129 4.443 4.550 0.037 0.000 0.348 377 Y C 0.843 176.799 175.900 0.093 0.000 1.274 377 Y CA -0.077 58.118 58.100 0.159 0.000 1.489 377 Y CB 0.067 38.571 38.460 0.074 0.000 1.348 377 Y HN 0.435 nan 8.280 nan 0.000 0.646 378 D N 2.800 123.316 120.400 0.194 0.000 2.344 378 D HA 0.172 4.834 4.640 0.037 0.000 0.244 378 D C -2.109 174.227 176.300 0.060 0.000 1.134 378 D CA -1.103 52.952 54.000 0.092 0.000 0.930 378 D CB 0.594 41.410 40.800 0.025 0.000 1.175 378 D HN 0.252 nan 8.370 nan 0.000 0.437 379 P HA 0.182 nan 4.420 nan 0.000 0.272 379 P C -2.465 174.836 177.300 0.002 0.000 1.254 379 P CA -0.761 62.340 63.100 0.002 0.000 0.795 379 P CB -0.323 31.387 31.700 0.016 0.000 1.022 380 P HA 0.376 nan 4.420 nan 0.000 0.285 380 P C -0.777 176.530 177.300 0.012 0.000 1.269 380 P CA -0.128 62.976 63.100 0.006 0.000 0.844 380 P CB 0.370 32.077 31.700 0.012 0.000 1.094 399 K N 0.709 121.106 120.400 -0.005 0.000 5.891 399 K HA -0.176 4.166 4.320 0.037 0.000 0.634 399 K C -1.475 175.109 176.600 -0.026 0.000 1.783 399 K CA 1.221 57.501 56.287 -0.011 0.000 1.472 399 K CB -2.063 30.432 32.500 -0.008 0.000 1.821 399 K HN 0.650 nan 8.250 nan 0.000 0.303 400 T N 4.231 118.772 114.554 -0.022 0.000 2.907 400 T HA 0.239 4.611 4.350 0.037 0.000 0.284 400 T C 0.372 175.045 174.700 -0.046 0.000 1.004 400 T CA -0.697 61.383 62.100 -0.033 0.000 1.063 400 T CB 1.157 70.016 68.868 -0.016 0.000 0.992 400 T HN 0.469 nan 8.240 nan 0.000 0.483 401 Q N 1.328 121.080 119.800 -0.079 0.000 2.454 401 Q HA 0.399 4.761 4.340 0.037 0.000 0.247 401 Q C 0.584 176.595 176.000 0.019 0.000 1.028 401 Q CA -0.216 55.530 55.803 -0.095 0.000 0.910 401 Q CB 0.536 29.165 28.738 -0.182 0.000 1.276 401 Q HN 0.810 nan 8.270 nan 0.000 0.489 402 T N -2.615 112.019 114.554 0.134 0.000 2.888 402 T HA 0.591 4.963 4.350 0.037 0.000 0.288 402 T C 0.154 174.969 174.700 0.191 0.000 1.063 402 T CA -0.776 61.368 62.100 0.073 0.000 1.010 402 T CB 1.516 70.412 68.868 0.046 0.000 1.214 402 T HN 0.681 nan 8.240 nan 0.000 0.533 403 T N -1.768 112.741 114.554 -0.075 0.000 2.880 403 T HA 0.316 4.688 4.350 0.037 0.000 0.279 403 T C 1.167 175.837 174.700 -0.051 0.000 0.990 403 T CA -0.478 61.577 62.100 -0.074 0.000 0.938 403 T CB 0.355 68.746 68.868 -0.795 0.000 1.206 403 T HN 0.921 nan 8.240 nan 0.000 0.573 404 H N -0.320 118.774 119.070 0.039 0.000 2.543 404 H HA 0.091 4.669 4.556 0.037 0.000 0.269 404 H C 0.557 175.990 175.328 0.175 0.000 1.005 404 H CA 0.189 56.325 56.048 0.147 0.000 1.146 404 H CB -0.820 29.094 29.762 0.254 0.000 1.353 404 H HN 0.891 nan 8.280 nan 0.000 0.595 405 Y N -1.806 118.347 120.300 -0.245 0.000 2.557 405 Y HA 0.516 5.089 4.550 0.037 0.000 0.247 405 Y C 1.321 177.157 175.900 -0.107 0.000 1.164 405 Y CA -0.772 57.183 58.100 -0.240 0.000 1.218 405 Y CB 0.253 38.495 38.460 -0.363 0.000 1.210 405 Y HN 0.146 nan 8.280 nan 0.000 0.529 406 G N 1.451 110.116 108.800 -0.224 0.000 2.248 406 G HA2 -0.305 3.677 3.960 0.037 0.000 0.263 406 G HA3 -0.305 3.677 3.960 0.037 0.000 0.263 406 G C -0.369 174.454 174.900 -0.129 0.000 1.082 406 G CA 0.280 45.312 45.100 -0.114 0.000 0.863 406 G HN 0.684 nan 8.290 nan 0.000 0.495 407 Q N 0.026 119.663 119.800 -0.272 0.000 2.333 407 Q HA 0.572 4.934 4.340 0.037 0.000 0.267 407 Q C 0.134 176.076 176.000 -0.097 0.000 1.012 407 Q CA -0.803 54.922 55.803 -0.130 0.000 0.824 407 Q CB 1.154 29.853 28.738 -0.065 0.000 1.290 407 Q HN 0.465 nan 8.270 nan 0.000 0.449 408 E N 1.987 122.173 120.200 -0.024 0.000 2.384 408 E HA 0.095 4.467 4.350 0.037 0.000 0.266 408 E C -0.800 175.797 176.600 -0.004 0.000 1.012 408 E CA -0.113 56.276 56.400 -0.019 0.000 0.901 408 E CB 1.211 30.914 29.700 0.004 0.000 0.967 408 E HN 0.383 nan 8.360 nan 0.000 0.435 409 V N 3.145 123.002 119.914 -0.094 0.000 2.259 409 V HA 0.198 4.340 4.120 0.037 0.000 0.267 409 V C 0.553 176.625 176.094 -0.036 0.000 1.051 409 V CA 0.005 62.227 62.300 -0.130 0.000 0.830 409 V CB 0.695 32.168 31.823 -0.583 0.000 1.080 409 V HN 0.795 nan 8.190 nan 0.000 0.467 410 A N 3.276 126.131 122.820 0.057 0.000 2.387 410 A HA 0.253 4.595 4.320 0.037 0.000 0.234 410 A C 0.955 178.578 177.584 0.066 0.000 1.253 410 A CA 0.318 52.383 52.037 0.047 0.000 0.894 410 A CB -0.060 18.972 19.000 0.053 0.000 0.963 410 A HN 0.775 nan 8.150 nan 0.000 0.508 411 D N -2.040 118.425 120.400 0.108 0.000 2.620 411 D HA 0.100 4.762 4.640 0.037 0.000 0.260 411 D C -0.096 176.154 176.300 -0.083 0.000 1.367 411 D CA -0.393 53.663 54.000 0.093 0.000 0.805 411 D CB -1.382 39.553 40.800 0.225 0.000 1.096 411 D HN 0.061 nan 8.370 nan 0.000 0.488 412 C N 1.786 120.969 119.300 -0.195 0.000 2.555 412 C HA 0.402 4.884 4.460 0.037 0.000 0.385 412 C C 1.574 176.219 174.990 -0.575 0.000 1.296 412 C CA -0.275 58.375 59.018 -0.614 0.000 1.757 412 C CB -0.742 26.857 27.740 -0.235 0.000 2.445 412 C HN 0.366 nan 8.230 nan 0.000 0.571 413 V N 5.774 125.169 119.914 -0.865 0.000 3.376 413 V HA 0.182 4.324 4.120 0.037 0.000 0.313 413 V C 1.567 177.274 176.094 -0.646 0.000 1.393 413 V CA 0.467 62.420 62.300 -0.578 0.000 1.125 413 V CB -0.941 30.530 31.823 -0.586 0.000 1.037 413 V HN 0.895 nan 8.190 nan 0.000 0.440 414 L N 1.604 122.402 121.223 -0.708 0.000 2.021 414 L HA -0.132 4.230 4.340 0.037 0.000 0.215 414 L C 2.800 179.424 176.870 -0.410 0.000 1.074 414 L CA 2.364 56.788 54.840 -0.694 0.000 0.760 414 L CB -1.092 40.318 42.059 -1.080 0.000 0.889 414 L HN 0.539 nan 8.230 nan 0.000 0.433 415 G N -0.754 107.960 108.800 -0.143 0.000 2.628 415 G HA2 -0.353 3.629 3.960 0.037 0.000 0.217 415 G HA3 -0.353 3.629 3.960 0.037 0.000 0.217 415 G C 1.409 176.327 174.900 0.031 0.000 1.240 415 G CA 1.030 46.200 45.100 0.117 0.000 0.792 415 G HN 0.421 nan 8.290 nan 0.000 0.593 416 E N -0.279 119.909 120.200 -0.020 0.000 2.085 416 E HA -0.130 4.242 4.350 0.037 0.000 0.194 416 E C 2.531 179.152 176.600 0.035 0.000 0.994 416 E CA 1.003 57.442 56.400 0.065 0.000 0.801 416 E CB -0.178 29.633 29.700 0.185 0.000 0.743 416 E HN 0.413 nan 8.360 nan 0.000 0.453 417 L N 0.100 121.169 121.223 -0.256 0.000 1.994 417 L HA -0.190 4.172 4.340 0.037 0.000 0.208 417 L C 2.412 179.224 176.870 -0.095 0.000 1.071 417 L CA 1.094 55.726 54.840 -0.347 0.000 0.745 417 L CB -0.212 41.396 42.059 -0.752 0.000 0.892 417 L HN 0.004 nan 8.230 nan 0.000 0.431 418 V N -0.509 119.353 119.914 -0.087 0.000 2.287 418 V HA -0.330 3.812 4.120 0.037 0.000 0.248 418 V C 2.540 178.667 176.094 0.056 0.000 1.053 418 V CA 2.361 64.666 62.300 0.009 0.000 1.027 418 V CB -0.871 31.025 31.823 0.121 0.000 0.646 418 V HN 0.559 nan 8.190 nan 0.000 0.447 419 T N -0.571 114.036 114.554 0.088 0.000 2.699 419 T HA -0.296 4.076 4.350 0.037 0.000 0.268 419 T C 2.051 176.808 174.700 0.096 0.000 1.036 419 T CA 2.088 64.248 62.100 0.101 0.000 1.147 419 T CB -0.288 68.643 68.868 0.105 0.000 0.862 419 T HN 0.411 nan 8.240 nan 0.000 0.446 420 R N 0.085 120.651 120.500 0.110 0.000 2.115 420 R HA 0.020 4.382 4.340 0.037 0.000 0.226 420 R C 2.360 178.717 176.300 0.095 0.000 1.100 420 R CA 0.787 56.962 56.100 0.126 0.000 0.980 420 R CB -0.307 30.117 30.300 0.206 0.000 0.875 420 R HN 0.290 nan 8.270 nan 0.000 0.445 421 L N 1.295 122.559 121.223 0.068 0.000 2.005 421 L HA -0.125 4.237 4.340 0.037 0.000 0.207 421 L C 2.080 178.956 176.870 0.010 0.000 1.072 421 L CA 1.772 56.630 54.840 0.030 0.000 0.744 421 L CB -0.551 41.503 42.059 -0.009 0.000 0.895 421 L HN 0.172 nan 8.230 nan 0.000 0.433 422 Q N -0.521 119.279 119.800 -0.000 0.000 2.173 422 Q HA -0.293 4.069 4.340 0.037 0.000 0.208 422 Q C 2.125 178.203 176.000 0.130 0.000 0.989 422 Q CA 2.453 58.285 55.803 0.049 0.000 0.872 422 Q CB -0.063 28.751 28.738 0.125 0.000 0.909 422 Q HN 0.522 nan 8.270 nan 0.000 0.420 423 K N -0.530 119.931 120.400 0.101 0.000 2.137 423 K HA -0.033 4.309 4.320 0.037 0.000 0.202 423 K C 2.268 178.916 176.600 0.080 0.000 1.052 423 K CA 1.146 57.490 56.287 0.096 0.000 0.961 423 K CB 0.034 32.583 32.500 0.082 0.000 0.741 423 K HN 0.134 nan 8.250 nan 0.000 0.452 424 S N 0.857 116.598 115.700 0.068 0.000 2.423 424 S HA -0.054 4.438 4.470 0.037 0.000 0.231 424 S C 2.090 176.724 174.600 0.056 0.000 1.014 424 S CA 0.905 59.138 58.200 0.056 0.000 0.965 424 S CB -0.117 63.114 63.200 0.051 0.000 0.785 424 S HN 0.236 nan 8.310 nan 0.000 0.495 425 A N 1.014 123.873 122.820 0.064 0.000 2.218 425 A HA 0.333 4.675 4.320 0.037 0.000 0.209 425 A C 1.035 178.685 177.584 0.110 0.000 1.168 425 A CA 0.427 52.506 52.037 0.069 0.000 0.804 425 A CB -0.954 18.073 19.000 0.044 0.000 0.834 425 A HN 0.693 nan 8.150 nan 0.000 0.482 426 N N -3.476 115.297 118.700 0.122 0.000 2.776 426 N HA -0.231 4.531 4.740 0.037 0.000 0.250 426 N C 0.326 175.938 175.510 0.171 0.000 1.112 426 N CA 0.715 53.834 53.050 0.116 0.000 0.733 426 N CB -1.666 36.867 38.487 0.075 0.000 1.097 426 N HN 0.402 nan 8.380 nan 0.000 0.558 427 F N 0.613 120.576 119.950 0.022 0.000 2.043 427 F HA -0.272 4.277 4.527 0.037 0.000 0.297 427 F C 2.418 178.228 175.800 0.018 0.000 1.118 427 F CA 2.443 60.456 58.000 0.021 0.000 1.202 427 F CB -1.062 37.958 39.000 0.033 0.000 0.965 427 F HN 0.211 nan 8.300 nan 0.000 0.482 428 T N -0.567 113.954 114.554 -0.056 0.000 2.622 428 T HA -0.221 4.151 4.350 0.037 0.000 0.266 428 T C 1.955 176.579 174.700 -0.127 0.000 1.047 428 T CA 2.479 64.481 62.100 -0.164 0.000 1.159 428 T CB -0.816 68.029 68.868 -0.039 0.000 0.863 428 T HN 0.316 nan 8.240 nan 0.000 0.422 429 T N 1.754 116.280 114.554 -0.046 0.000 2.624 429 T HA -0.145 4.227 4.350 0.037 0.000 0.268 429 T C 2.129 176.801 174.700 -0.048 0.000 1.041 429 T CA 1.214 63.294 62.100 -0.033 0.000 1.159 429 T CB -0.234 68.633 68.868 -0.002 0.000 0.863 429 T HN 0.294 nan 8.240 nan 0.000 0.434 430 R N 0.263 120.739 120.500 -0.041 0.000 2.152 430 R HA 0.003 4.365 4.340 0.037 0.000 0.232 430 R C 2.618 178.864 176.300 -0.090 0.000 1.117 430 R CA 0.971 57.047 56.100 -0.041 0.000 0.981 430 R CB -0.211 30.096 30.300 0.013 0.000 0.870 430 R HN 0.298 nan 8.270 nan 0.000 0.451 431 R N 0.278 120.666 120.500 -0.186 0.000 2.115 431 R HA -0.055 4.307 4.340 0.037 0.000 0.230 431 R C 2.106 178.337 176.300 -0.115 0.000 1.111 431 R CA 1.308 57.280 56.100 -0.213 0.000 0.976 431 R CB -0.068 29.994 30.300 -0.397 0.000 0.870 431 R HN 0.180 nan 8.270 nan 0.000 0.445 432 A N 0.668 123.433 122.820 -0.091 0.000 1.872 432 A HA -0.135 4.207 4.320 0.037 0.000 0.214 432 A C 1.849 179.426 177.584 -0.012 0.000 1.187 432 A CA 1.345 53.354 52.037 -0.046 0.000 0.614 432 A CB -0.416 18.561 19.000 -0.039 0.000 0.826 432 A HN 0.397 nan 8.150 nan 0.000 0.442 433 E N -0.260 119.935 120.200 -0.009 0.000 2.130 433 E HA -0.205 4.167 4.350 0.037 0.000 0.196 433 E C 1.790 178.424 176.600 0.058 0.000 0.998 433 E CA 1.397 57.811 56.400 0.023 0.000 0.806 433 E CB -0.320 29.381 29.700 0.002 0.000 0.738 433 E HN 0.699 nan 8.360 nan 0.000 0.459 434 I N 0.598 121.178 120.570 0.016 0.000 2.315 434 I HA -0.252 3.940 4.170 0.037 0.000 0.248 434 I C 2.452 178.635 176.117 0.109 0.000 1.117 434 I CA 0.785 62.112 61.300 0.045 0.000 1.404 434 I CB -0.219 37.769 38.000 -0.021 0.000 1.071 434 I HN 0.110 nan 8.210 nan 0.000 0.419 435 A N 0.773 123.624 122.820 0.052 0.000 1.877 435 A HA -0.185 4.157 4.320 0.037 0.000 0.216 435 A C 2.551 180.176 177.584 0.068 0.000 1.186 435 A CA 1.900 53.963 52.037 0.044 0.000 0.620 435 A CB -0.947 18.057 19.000 0.007 0.000 0.822 435 A HN 0.413 nan 8.150 nan 0.000 0.443 436 A N -1.519 121.344 122.820 0.072 0.000 1.865 436 A HA -0.225 4.117 4.320 0.037 0.000 0.217 436 A C 2.035 179.680 177.584 0.102 0.000 1.191 436 A CA 1.703 53.780 52.037 0.066 0.000 0.623 436 A CB -1.165 17.872 19.000 0.063 0.000 0.826 436 A HN 0.841 nan 8.150 nan 0.000 0.444 437 W N 1.333 122.617 121.300 -0.027 0.000 2.321 437 W HA -0.227 4.455 4.660 0.037 0.000 0.306 437 W C 1.850 178.352 176.519 -0.028 0.000 1.217 437 W CA 2.120 59.450 57.345 -0.025 0.000 1.257 437 W CB -0.159 29.287 29.460 -0.023 0.000 1.145 437 W HN 0.376 nan 8.180 nan 0.000 0.509 438 N N -0.186 118.654 118.700 0.234 0.000 2.244 438 N HA -0.161 4.601 4.740 0.037 0.000 0.183 438 N C 1.859 177.329 175.510 -0.066 0.000 1.016 438 N CA 1.818 54.924 53.050 0.092 0.000 0.866 438 N CB -0.965 37.593 38.487 0.118 0.000 0.980 438 N HN 0.286 nan 8.380 nan 0.000 0.430 439 S N -1.274 114.397 115.700 -0.049 0.000 2.555 439 S HA 0.031 4.523 4.470 0.037 0.000 0.230 439 S C 1.376 175.908 174.600 -0.113 0.000 0.978 439 S CA 0.706 58.865 58.200 -0.067 0.000 0.934 439 S CB -0.113 63.064 63.200 -0.038 0.000 0.766 439 S HN 0.096 nan 8.310 nan 0.000 0.533 440 T N 1.449 115.890 114.554 -0.188 0.000 3.054 440 T HA 0.332 4.704 4.350 0.037 0.000 0.255 440 T C -0.262 174.248 174.700 -0.316 0.000 1.035 440 T CA -0.302 61.658 62.100 -0.233 0.000 0.941 440 T CB -0.184 68.522 68.868 -0.270 0.000 1.026 440 T HN 0.433 nan 8.240 nan 0.000 0.533 441 N N 0.983 119.475 118.700 -0.347 0.000 2.258 441 N HA 0.368 5.130 4.740 0.037 0.000 0.299 441 N C 0.827 176.211 175.510 -0.210 0.000 1.047 441 N CA -0.759 52.070 53.050 -0.369 0.000 0.814 441 N CB 1.624 39.735 38.487 -0.626 0.000 1.413 441 N HN 0.091 nan 8.380 nan 0.000 0.478 442 R N 0.134 120.540 120.500 -0.157 0.000 2.373 442 R HA 0.239 4.601 4.340 0.037 0.000 0.221 442 R C -0.124 176.133 176.300 -0.072 0.000 0.893 442 R CA 0.267 56.308 56.100 -0.098 0.000 1.049 442 R CB 0.202 30.454 30.300 -0.080 0.000 1.119 442 R HN 0.368 nan 8.270 nan 0.000 0.535 443 T N 0.891 115.400 114.554 -0.075 0.000 3.034 443 T HA 0.332 4.704 4.350 0.037 0.000 0.248 443 T C 0.595 175.289 174.700 -0.010 0.000 1.040 443 T CA 0.198 62.274 62.100 -0.040 0.000 1.107 443 T CB 0.230 69.078 68.868 -0.034 0.000 0.932 443 T HN 0.001 nan 8.240 nan 0.000 0.474 444 L N 0.745 121.971 121.223 0.005 0.000 2.313 444 L HA 0.850 5.212 4.340 0.037 0.000 0.268 444 L C -0.553 176.407 176.870 0.150 0.000 1.010 444 L CA -1.280 53.623 54.840 0.104 0.000 0.814 444 L CB 1.576 43.784 42.059 0.247 0.000 1.304 444 L HN 0.038 nan 8.230 nan 0.000 0.441 445 A N 1.386 124.325 122.820 0.199 0.000 2.455 445 A HA 0.721 5.063 4.320 0.037 0.000 0.300 445 A C -1.041 176.647 177.584 0.172 0.000 1.040 445 A CA -0.713 51.453 52.037 0.216 0.000 0.697 445 A CB 1.612 20.654 19.000 0.071 0.000 1.265 445 A HN 0.713 nan 8.150 nan 0.000 0.407 446 R N 0.465 121.065 120.500 0.168 0.000 2.598 446 R HA 0.702 5.064 4.340 0.037 0.000 0.279 446 R C 0.100 176.387 176.300 -0.022 0.000 0.984 446 R CA -0.360 55.724 56.100 -0.027 0.000 0.999 446 R CB 2.144 32.317 30.300 -0.212 0.000 1.114 446 R HN 0.881 nan 8.270 nan 0.000 0.493 447 G N 1.017 109.787 108.800 -0.051 0.000 2.612 447 G HA2 0.687 4.669 3.960 0.037 0.000 0.298 447 G HA3 0.687 4.669 3.960 0.037 0.000 0.298 447 G C -1.490 173.403 174.900 -0.012 0.000 1.336 447 G CA -0.494 44.584 45.100 -0.038 0.000 0.953 447 G HN 0.502 nan 8.290 nan 0.000 0.482 448 I N 0.164 120.753 120.570 0.030 0.000 2.775 448 I HA 0.715 4.907 4.170 0.037 0.000 0.295 448 I C -0.995 175.225 176.117 0.172 0.000 1.287 448 I CA -0.851 60.507 61.300 0.097 0.000 1.029 448 I CB 2.098 40.168 38.000 0.118 0.000 1.282 448 I HN 0.913 nan 8.210 nan 0.000 0.426 449 A N 6.326 129.258 122.820 0.187 0.000 2.594 449 A HA 0.751 5.093 4.320 0.037 0.000 0.295 449 A C -2.265 175.385 177.584 0.110 0.000 1.071 449 A CA -0.534 51.617 52.037 0.190 0.000 0.685 449 A CB 1.956 21.040 19.000 0.140 0.000 1.285 449 A HN 0.719 nan 8.150 nan 0.000 0.405 450 L N 1.624 122.894 121.223 0.077 0.000 2.341 450 L HA 0.850 5.212 4.340 0.037 0.000 0.278 450 L C -0.128 176.784 176.870 0.070 0.000 1.005 450 L CA 0.166 54.981 54.840 -0.042 0.000 0.818 450 L CB 1.970 43.931 42.059 -0.163 0.000 1.259 450 L HN 1.047 nan 8.230 nan 0.000 0.418 451 S N 5.791 121.540 115.700 0.081 0.000 2.536 451 S HA 0.828 5.320 4.470 0.037 0.000 0.287 451 S C -3.054 171.619 174.600 0.122 0.000 1.101 451 S CA -1.148 57.133 58.200 0.135 0.000 0.950 451 S CB 2.255 65.541 63.200 0.143 0.000 1.056 451 S HN 0.598 nan 8.310 nan 0.000 0.481 452 P HA 0.684 nan 4.420 nan 0.000 0.287 452 P C -1.304 176.036 177.300 0.065 0.000 1.292 452 P CA -0.818 62.326 63.100 0.072 0.000 0.879 452 P CB 1.698 33.432 31.700 0.056 0.000 1.214 453 V N 0.548 120.485 119.914 0.038 0.000 2.760 453 V HA 0.512 4.654 4.120 0.037 0.000 0.309 453 V C -0.284 175.814 176.094 0.007 0.000 1.077 453 V CA -0.515 61.822 62.300 0.062 0.000 0.910 453 V CB 2.079 33.972 31.823 0.117 0.000 1.008 453 V HN 0.669 nan 8.190 nan 0.000 0.424 454 K N 4.133 124.525 120.400 -0.012 0.000 2.637 454 K HA 0.600 4.942 4.320 0.037 0.000 0.248 454 K C -2.257 174.359 176.600 0.027 0.000 0.971 454 K CA -0.407 55.752 56.287 -0.213 0.000 0.858 454 K CB 1.543 33.924 32.500 -0.198 0.000 1.170 454 K HN 0.533 nan 8.250 nan 0.000 0.443 455 F N 2.782 122.640 119.950 -0.153 0.000 2.539 455 F HA 0.569 5.118 4.527 0.036 0.000 0.318 455 F C 0.048 175.745 175.800 -0.173 0.000 1.135 455 F CA -0.414 57.557 58.000 -0.049 0.000 0.915 455 F CB 1.844 40.762 39.000 -0.138 0.000 1.176 455 F HN 0.646 nan 8.300 nan 0.000 0.440 456 G N 6.133 114.563 108.800 -0.617 0.000 2.432 456 G HA2 0.469 4.451 3.960 0.037 0.000 0.257 456 G HA3 0.469 4.451 3.960 0.037 0.000 0.257 456 G C -0.977 173.244 174.900 -1.132 0.000 1.238 456 G CA -0.477 43.755 45.100 -1.446 0.000 0.838 456 G HN 0.488 nan 8.290 nan 0.000 0.547 457 I N 0.940 121.000 120.570 -0.851 0.000 2.378 457 I HA 0.589 4.781 4.170 0.037 0.000 0.291 457 I C 0.179 176.135 176.117 -0.268 0.000 0.992 457 I CA -0.341 60.647 61.300 -0.520 0.000 1.154 457 I CB 0.600 38.092 38.000 -0.846 0.000 1.315 457 I HN 0.496 nan 8.210 nan 0.000 0.448 458 S N 4.601 120.203 115.700 -0.163 0.000 2.963 458 S HA 0.141 4.633 4.470 0.037 0.000 0.249 458 S C -0.704 173.839 174.600 -0.094 0.000 0.669 458 S CA -0.914 57.233 58.200 -0.088 0.000 0.892 458 S CB -0.028 63.171 63.200 -0.001 0.000 1.119 458 S HN 0.305 nan 8.310 nan 0.000 0.578 459 F N 2.105 121.999 119.950 -0.093 0.000 2.553 459 F HA 0.181 4.730 4.527 0.036 0.000 0.356 459 F C 2.321 178.065 175.800 -0.093 0.000 1.142 459 F CA 0.965 58.895 58.000 -0.117 0.000 1.322 459 F CB 0.690 39.600 39.000 -0.150 0.000 1.126 459 F HN 0.783 nan 8.300 nan 0.000 0.599 460 T N -0.514 114.133 114.554 0.155 0.000 3.067 460 T HA 0.057 4.429 4.350 0.037 0.000 0.257 460 T C 0.737 175.607 174.700 0.284 0.000 1.105 460 T CA 0.122 62.252 62.100 0.050 0.000 1.104 460 T CB 0.058 68.941 68.868 0.026 0.000 0.925 460 T HN 0.203 nan 8.240 nan 0.000 0.498 461 L N 3.862 125.221 121.223 0.226 0.000 2.404 461 L HA 0.326 4.688 4.340 0.037 0.000 0.277 461 L C 1.301 178.184 176.870 0.023 0.000 1.184 461 L CA 0.310 55.237 54.840 0.145 0.000 1.013 461 L CB -0.849 41.206 42.059 -0.007 0.000 1.318 461 L HN 0.312 nan 8.230 nan 0.000 0.435 462 T N 1.540 116.189 114.554 0.159 0.000 2.668 462 T HA -0.286 4.086 4.350 0.037 0.000 0.265 462 T C 1.637 176.359 174.700 0.036 0.000 1.041 462 T CA 2.297 64.463 62.100 0.109 0.000 1.160 462 T CB -0.439 68.532 68.868 0.172 0.000 0.857 462 T HN 0.702 nan 8.240 nan 0.000 0.455 463 H N 1.212 120.295 119.070 0.022 0.000 2.568 463 H HA 0.100 4.678 4.556 0.036 0.000 0.281 463 H C 1.792 177.089 175.328 -0.052 0.000 1.028 463 H CA 0.549 56.596 56.048 -0.001 0.000 1.199 463 H CB -0.800 28.967 29.762 0.008 0.000 1.352 463 H HN 0.374 nan 8.280 nan 0.000 0.605 464 L N 0.752 121.654 121.223 -0.534 0.000 2.554 464 L HA 0.001 4.363 4.340 0.037 0.000 0.226 464 L C 0.491 177.189 176.870 -0.286 0.000 1.137 464 L CA 0.139 54.620 54.840 -0.598 0.000 0.863 464 L CB -0.195 41.151 42.059 -1.188 0.000 0.985 464 L HN 0.192 nan 8.230 nan 0.000 0.451 465 N N 2.730 121.385 118.700 -0.075 0.000 3.124 465 N HA 0.076 4.838 4.740 0.037 0.000 0.284 465 N C -0.418 175.060 175.510 -0.054 0.000 1.209 465 N CA 0.099 53.173 53.050 0.041 0.000 1.149 465 N CB 0.351 38.887 38.487 0.081 0.000 1.434 465 N HN 0.523 nan 8.380 nan 0.000 0.529 466 Q N -0.527 119.226 119.800 -0.079 0.000 2.501 466 Q HA 0.866 5.228 4.340 0.037 0.000 0.288 466 Q C -1.707 174.176 176.000 -0.195 0.000 1.051 466 Q CA -1.309 54.357 55.803 -0.229 0.000 0.788 466 Q CB 2.327 30.988 28.738 -0.128 0.000 1.469 466 Q HN 0.146 nan 8.270 nan 0.000 0.416 467 A N 0.168 122.759 122.820 -0.382 0.000 2.589 467 A HA 0.884 5.226 4.320 0.037 0.000 0.296 467 A C -1.003 176.490 177.584 -0.152 0.000 1.062 467 A CA -0.087 51.860 52.037 -0.150 0.000 0.686 467 A CB 1.797 20.766 19.000 -0.053 0.000 1.282 467 A HN 0.956 nan 8.150 nan 0.000 0.404 468 G N -0.840 108.004 108.800 0.074 0.000 2.714 468 G HA2 1.008 4.990 3.960 0.037 0.000 0.292 468 G HA3 1.008 4.990 3.960 0.037 0.000 0.292 468 G C -0.522 174.469 174.900 0.151 0.000 1.308 468 G CA -0.067 45.144 45.100 0.185 0.000 0.964 468 G HN 2.159 nan 8.290 nan 0.000 0.484 469 A N -1.157 121.753 122.820 0.150 0.000 2.599 469 A HA 0.794 5.136 4.320 0.037 0.000 0.290 469 A C -2.102 175.538 177.584 0.094 0.000 1.101 469 A CA -0.540 51.575 52.037 0.129 0.000 0.674 469 A CB 1.905 20.974 19.000 0.115 0.000 1.277 469 A HN 1.863 nan 8.150 nan 0.000 0.419 470 L N 0.641 121.903 121.223 0.066 0.000 2.516 470 L HA 0.751 5.113 4.340 0.037 0.000 0.267 470 L C -1.711 175.168 176.870 0.016 0.000 0.957 470 L CA -0.265 54.596 54.840 0.035 0.000 0.860 470 L CB 1.988 44.062 42.059 0.024 0.000 1.265 470 L HN 0.618 nan 8.230 nan 0.000 0.403 471 V N 4.183 124.097 119.914 -0.001 0.000 2.680 471 V HA 0.700 4.842 4.120 0.037 0.000 0.309 471 V C -0.821 175.234 176.094 -0.064 0.000 1.052 471 V CA -0.586 61.703 62.300 -0.019 0.000 0.908 471 V CB 1.972 33.791 31.823 -0.007 0.000 1.001 471 V HN 0.743 nan 8.190 nan 0.000 0.431 472 Q N 3.766 123.500 119.800 -0.111 0.000 2.347 472 Q HA 0.632 4.994 4.340 0.037 0.000 0.271 472 Q C -1.247 174.573 176.000 -0.300 0.000 1.064 472 Q CA -0.442 55.215 55.803 -0.242 0.000 0.800 472 Q CB 3.182 31.698 28.738 -0.370 0.000 1.304 472 Q HN 0.665 nan 8.270 nan 0.000 0.438 473 I N 2.421 122.804 120.570 -0.312 0.000 2.389 473 I HA 0.343 4.535 4.170 0.037 0.000 0.288 473 I C -0.596 175.311 176.117 -0.350 0.000 0.999 473 I CA -0.848 60.321 61.300 -0.218 0.000 1.129 473 I CB 0.790 38.763 38.000 -0.045 0.000 1.288 473 I HN 0.471 nan 8.210 nan 0.000 0.444 474 Y N 2.745 123.039 120.300 -0.011 0.000 2.326 474 Y HA 0.096 4.667 4.550 0.035 0.000 0.324 474 Y C 1.994 177.841 175.900 -0.088 0.000 1.291 474 Y CA -0.386 57.679 58.100 -0.059 0.000 1.348 474 Y CB 1.009 39.439 38.460 -0.049 0.000 1.294 474 Y HN 0.626 nan 8.280 nan 0.000 0.525 475 T N -3.547 111.013 114.554 0.010 0.000 3.113 475 T HA -0.129 4.243 4.350 0.037 0.000 0.263 475 T C 0.707 175.383 174.700 -0.040 0.000 1.143 475 T CA 0.955 62.990 62.100 -0.107 0.000 1.090 475 T CB -0.345 68.335 68.868 -0.313 0.000 0.922 475 T HN 0.730 nan 8.240 nan 0.000 0.521 476 D N 0.522 120.936 120.400 0.023 0.000 2.339 476 D HA 0.219 4.881 4.640 0.037 0.000 0.217 476 D C 1.642 177.994 176.300 0.088 0.000 1.050 476 D CA 0.469 54.491 54.000 0.036 0.000 0.856 476 D CB -0.583 40.233 40.800 0.027 0.000 0.922 476 D HN 0.536 nan 8.370 nan 0.000 0.518 477 G N 0.374 109.243 108.800 0.115 0.000 2.195 477 G HA2 -0.285 3.697 3.960 0.037 0.000 0.246 477 G HA3 -0.285 3.697 3.960 0.037 0.000 0.246 477 G C 0.425 175.492 174.900 0.279 0.000 0.984 477 G CA 0.340 45.578 45.100 0.229 0.000 0.633 477 G HN 0.740 nan 8.290 nan 0.000 0.525 478 S N -0.656 115.169 115.700 0.209 0.000 2.603 478 S HA 0.755 5.247 4.470 0.037 0.000 0.268 478 S C 0.001 174.743 174.600 0.237 0.000 1.317 478 S CA -0.167 58.148 58.200 0.192 0.000 1.012 478 S CB 2.704 65.987 63.200 0.137 0.000 0.926 478 S HN 1.062 nan 8.310 nan 0.000 0.539 479 V N 0.688 120.702 119.914 0.167 0.000 2.735 479 V HA 0.786 4.928 4.120 0.037 0.000 0.310 479 V C -0.105 176.054 176.094 0.109 0.000 1.061 479 V CA -0.755 61.617 62.300 0.119 0.000 0.913 479 V CB 1.701 33.564 31.823 0.067 0.000 1.005 479 V HN 1.211 nan 8.190 nan 0.000 0.428 480 A N 4.374 127.249 122.820 0.091 0.000 2.304 480 A HA 0.855 5.197 4.320 0.037 0.000 0.314 480 A C -1.136 176.460 177.584 0.019 0.000 1.187 480 A CA -0.403 51.684 52.037 0.083 0.000 0.810 480 A CB 1.082 20.182 19.000 0.167 0.000 1.183 480 A HN 0.881 nan 8.150 nan 0.000 0.487 481 L N 2.612 123.835 121.223 0.000 0.000 2.334 481 L HA 0.717 5.078 4.340 0.037 0.000 0.273 481 L C -0.580 176.272 176.870 -0.030 0.000 1.013 481 L CA -0.304 54.538 54.840 0.004 0.000 0.816 481 L CB 1.687 43.760 42.059 0.024 0.000 1.278 481 L HN 0.725 nan 8.230 nan 0.000 0.431 482 N N 1.667 120.362 118.700 -0.008 0.000 2.369 482 N HA 0.426 5.188 4.740 0.037 0.000 0.287 482 N C -1.748 173.759 175.510 -0.005 0.000 1.067 482 N CA -0.311 52.686 53.050 -0.088 0.000 0.888 482 N CB 1.463 39.910 38.487 -0.066 0.000 1.616 482 N HN 0.999 nan 8.380 nan 0.000 0.482 483 H N -0.600 118.484 119.070 0.023 0.000 2.943 483 H HA 0.491 5.072 4.556 0.042 0.000 0.323 483 H C 0.870 176.235 175.328 0.061 0.000 1.296 483 H CA -0.550 55.525 56.048 0.045 0.000 1.155 483 H CB 0.526 30.316 29.762 0.046 0.000 1.882 483 H HN 0.386 nan 8.280 nan 0.000 0.553 484 G N -0.595 108.376 108.800 0.284 0.000 2.534 484 G HA2 0.171 4.153 3.960 0.037 0.000 0.217 484 G HA3 0.171 4.153 3.960 0.037 0.000 0.217 484 G C 0.705 175.738 174.900 0.223 0.000 1.128 484 G CA 0.217 45.431 45.100 0.190 0.000 0.784 484 G HN 0.859 nan 8.290 nan 0.000 0.542 485 G N -0.080 108.990 108.800 0.450 0.000 2.476 485 G HA2 0.457 4.439 3.960 0.037 0.000 0.269 485 G HA3 0.457 4.439 3.960 0.037 0.000 0.269 485 G C -0.010 175.006 174.900 0.193 0.000 1.195 485 G CA 0.307 45.565 45.100 0.263 0.000 0.843 485 G HN 0.346 nan 8.290 nan 0.000 0.545 486 T N -1.448 113.137 114.554 0.050 0.000 2.888 486 T HA 0.564 4.936 4.350 0.037 0.000 0.284 486 T C -0.473 174.153 174.700 -0.123 0.000 1.017 486 T CA -0.823 61.268 62.100 -0.015 0.000 1.022 486 T CB 2.276 71.134 68.868 -0.017 0.000 1.013 486 T HN 0.515 nan 8.240 nan 0.000 0.465 487 E N 2.600 122.691 120.200 -0.183 0.000 2.156 487 E HA 0.492 4.864 4.350 0.037 0.000 0.279 487 E C 0.244 176.799 176.600 -0.075 0.000 0.965 487 E CA -0.790 55.466 56.400 -0.240 0.000 0.789 487 E CB 0.958 30.452 29.700 -0.343 0.000 1.098 487 E HN 0.813 nan 8.360 nan 0.000 0.397 488 M N 2.378 121.939 119.600 -0.064 0.000 2.414 488 M HA 0.510 5.012 4.480 0.037 0.000 0.393 488 M C 0.717 177.002 176.300 -0.026 0.000 1.055 488 M CA 0.077 55.336 55.300 -0.068 0.000 0.937 488 M CB 0.920 33.413 32.600 -0.179 0.000 1.631 488 M HN 0.614 nan 8.290 nan 0.000 0.567 489 G N 1.748 110.606 108.800 0.096 0.000 2.205 489 G HA2 -0.218 3.764 3.960 0.037 0.000 0.180 489 G HA3 -0.218 3.764 3.960 0.037 0.000 0.180 489 G C 0.727 175.737 174.900 0.183 0.000 1.004 489 G CA 0.323 45.530 45.100 0.179 0.000 0.670 489 G HN 0.604 nan 8.290 nan 0.000 0.496 490 Q N 1.029 120.876 119.800 0.078 0.000 2.425 490 Q HA 0.359 4.721 4.340 0.037 0.000 0.204 490 Q C 1.569 177.589 176.000 0.034 0.000 0.933 490 Q CA 1.237 57.066 55.803 0.043 0.000 0.939 490 Q CB 0.211 28.935 28.738 -0.024 0.000 1.044 490 Q HN 1.779 nan 8.270 nan 0.000 0.513 491 G N 1.549 110.354 108.800 0.009 0.000 2.131 491 G HA2 -0.282 3.700 3.960 0.037 0.000 0.223 491 G HA3 -0.282 3.700 3.960 0.037 0.000 0.223 491 G C 0.403 175.212 174.900 -0.151 0.000 0.990 491 G CA 0.292 45.316 45.100 -0.127 0.000 0.671 491 G HN 0.340 nan 8.290 nan 0.000 0.521 492 L N 0.758 121.885 121.223 -0.159 0.000 1.989 492 L HA 0.014 4.376 4.340 0.037 0.000 0.211 492 L C 2.547 179.377 176.870 -0.067 0.000 1.071 492 L CA 2.980 57.735 54.840 -0.141 0.000 0.749 492 L CB -0.706 41.243 42.059 -0.184 0.000 0.890 492 L HN 0.410 nan 8.230 nan 0.000 0.431 493 H N -0.435 118.611 119.070 -0.039 0.000 2.456 493 H HA 0.011 4.588 4.556 0.036 0.000 0.296 493 H C 2.117 177.397 175.328 -0.081 0.000 1.079 493 H CA 1.178 57.222 56.048 -0.007 0.000 1.322 493 H CB -0.570 29.176 29.762 -0.026 0.000 1.388 493 H HN 0.509 nan 8.280 nan 0.000 0.538 494 A N 1.280 124.064 122.820 -0.059 0.000 1.897 494 A HA -0.125 4.217 4.320 0.037 0.000 0.215 494 A C 2.314 179.877 177.584 -0.036 0.000 1.181 494 A CA 1.152 53.151 52.037 -0.064 0.000 0.620 494 A CB -0.163 18.775 19.000 -0.104 0.000 0.821 494 A HN 0.323 nan 8.150 nan 0.000 0.443 495 K N -0.564 119.810 120.400 -0.043 0.000 2.063 495 K HA -0.136 4.206 4.320 0.037 0.000 0.208 495 K C 1.921 178.506 176.600 -0.024 0.000 1.048 495 K CA 1.667 57.933 56.287 -0.035 0.000 0.928 495 K CB -0.303 32.172 32.500 -0.042 0.000 0.713 495 K HN 0.363 nan 8.250 nan 0.000 0.442 496 M N 0.398 119.991 119.600 -0.012 0.000 2.319 496 M HA -0.074 4.428 4.480 0.037 0.000 0.265 496 M C 2.233 178.542 176.300 0.015 0.000 1.068 496 M CA 1.025 56.316 55.300 -0.014 0.000 1.118 496 M CB -0.539 32.053 32.600 -0.013 0.000 1.395 496 M HN -0.048 nan 8.290 nan 0.000 0.435 497 V N 0.509 120.433 119.914 0.016 0.000 2.358 497 V HA -0.254 3.888 4.120 0.037 0.000 0.246 497 V C 2.389 178.470 176.094 -0.022 0.000 1.047 497 V CA 1.565 63.865 62.300 -0.001 0.000 1.035 497 V CB -0.548 31.270 31.823 -0.009 0.000 0.658 497 V HN 0.499 nan 8.190 nan 0.000 0.452 498 Q N -0.768 119.013 119.800 -0.033 0.000 2.050 498 Q HA -0.181 4.181 4.340 0.037 0.000 0.202 498 Q C 2.344 178.310 176.000 -0.057 0.000 0.980 498 Q CA 1.903 57.671 55.803 -0.058 0.000 0.840 498 Q CB -0.349 28.347 28.738 -0.070 0.000 0.898 498 Q HN 0.509 nan 8.270 nan 0.000 0.424 499 V N 1.030 120.938 119.914 -0.010 0.000 2.255 499 V HA -0.341 3.801 4.120 0.037 0.000 0.247 499 V C 2.284 178.405 176.094 0.046 0.000 1.051 499 V CA 2.033 64.376 62.300 0.071 0.000 1.018 499 V CB -1.036 30.859 31.823 0.119 0.000 0.641 499 V HN 0.462 nan 8.190 nan 0.000 0.445 500 A N -0.295 122.534 122.820 0.016 0.000 1.908 500 A HA -0.155 4.187 4.320 0.037 0.000 0.218 500 A C 2.363 179.926 177.584 -0.035 0.000 1.181 500 A CA 2.240 54.277 52.037 -0.001 0.000 0.627 500 A CB -0.773 18.225 19.000 -0.002 0.000 0.818 500 A HN 0.629 nan 8.150 nan 0.000 0.445 501 A N -0.572 122.215 122.820 -0.054 0.000 2.015 501 A HA 0.275 4.617 4.320 0.037 0.000 0.219 501 A C 2.391 179.923 177.584 -0.087 0.000 1.163 501 A CA 1.744 53.728 52.037 -0.088 0.000 0.646 501 A CB -0.703 18.245 19.000 -0.086 0.000 0.806 501 A HN 0.950 nan 8.150 nan 0.000 0.448 502 A N -0.701 122.073 122.820 -0.078 0.000 1.898 502 A HA 0.108 4.450 4.320 0.037 0.000 0.214 502 A C 2.143 179.717 177.584 -0.015 0.000 1.183 502 A CA 1.516 53.498 52.037 -0.091 0.000 0.622 502 A CB -0.679 18.189 19.000 -0.220 0.000 0.824 502 A HN 0.320 nan 8.150 nan 0.000 0.444 503 V N -0.105 119.830 119.914 0.035 0.000 2.453 503 V HA -0.127 4.015 4.120 0.037 0.000 0.247 503 V C 2.258 178.338 176.094 -0.023 0.000 1.048 503 V CA 1.543 63.876 62.300 0.055 0.000 1.049 503 V CB -0.506 31.358 31.823 0.069 0.000 0.672 503 V HN 0.530 nan 8.190 nan 0.000 0.457 504 L N 0.156 121.338 121.223 -0.068 0.000 2.558 504 L HA 0.296 4.657 4.340 0.037 0.000 0.225 504 L C 1.620 178.418 176.870 -0.121 0.000 1.128 504 L CA 0.849 55.609 54.840 -0.133 0.000 0.868 504 L CB -0.251 41.716 42.059 -0.153 0.000 1.006 504 L HN 0.538 nan 8.230 nan 0.000 0.454 505 G N 1.455 110.219 108.800 -0.061 0.000 2.149 505 G HA2 -0.250 3.732 3.960 0.037 0.000 0.235 505 G HA3 -0.250 3.732 3.960 0.037 0.000 0.235 505 G C 0.131 174.979 174.900 -0.088 0.000 1.018 505 G CA 0.506 45.616 45.100 0.016 0.000 0.728 505 G HN 0.421 nan 8.290 nan 0.000 0.508 506 I N -3.652 116.793 120.570 -0.208 0.000 3.239 506 I HA 0.806 4.998 4.170 0.037 0.000 0.314 506 I C -0.721 175.302 176.117 -0.158 0.000 1.126 506 I CA -1.375 59.769 61.300 -0.260 0.000 0.973 506 I CB 2.031 39.715 38.000 -0.527 0.000 1.252 506 I HN -0.042 nan 8.210 nan 0.000 0.463 507 D N 2.760 123.086 120.400 -0.123 0.000 2.350 507 D HA 0.317 4.979 4.640 0.037 0.000 0.249 507 D C -1.927 174.328 176.300 -0.076 0.000 1.119 507 D CA -2.169 51.783 54.000 -0.079 0.000 0.886 507 D CB 1.840 42.610 40.800 -0.050 0.000 1.195 507 D HN 0.278 nan 8.370 nan 0.000 0.437 508 P HA -0.158 nan 4.420 nan 0.000 0.216 508 P C 1.543 178.819 177.300 -0.039 0.000 1.150 508 P CA 0.593 63.662 63.100 -0.052 0.000 0.843 508 P CB 0.234 31.906 31.700 -0.045 0.000 0.787 509 V N -0.181 119.714 119.914 -0.032 0.000 2.636 509 V HA -0.245 3.897 4.120 0.037 0.000 0.258 509 V C 2.115 178.200 176.094 -0.014 0.000 1.092 509 V CA 1.689 63.977 62.300 -0.021 0.000 1.110 509 V CB -1.035 30.779 31.823 -0.016 0.000 0.685 509 V HN 0.240 nan 8.190 nan 0.000 0.481 510 Q N -0.756 119.031 119.800 -0.021 0.000 2.403 510 Q HA 0.151 4.513 4.340 0.037 0.000 0.203 510 Q C 0.214 176.216 176.000 0.002 0.000 0.932 510 Q CA 0.285 56.085 55.803 -0.004 0.000 0.945 510 Q CB 0.656 29.378 28.738 -0.026 0.000 1.045 510 Q HN 0.512 nan 8.270 nan 0.000 0.511 511 V N 1.514 121.420 119.914 -0.013 0.000 2.384 511 V HA 0.378 4.520 4.120 0.037 0.000 0.287 511 V C -0.180 175.911 176.094 -0.006 0.000 1.020 511 V CA -0.844 61.453 62.300 -0.006 0.000 0.850 511 V CB 1.811 33.621 31.823 -0.022 0.000 0.987 511 V HN 0.004 nan 8.190 nan 0.000 0.436 512 R N 3.900 124.403 120.500 0.004 0.000 2.445 512 R HA 0.633 4.995 4.340 0.037 0.000 0.308 512 R C -0.850 175.423 176.300 -0.045 0.000 0.961 512 R CA -0.549 55.540 56.100 -0.018 0.000 0.862 512 R CB 1.407 31.702 30.300 -0.008 0.000 1.144 512 R HN 0.661 nan 8.270 nan 0.000 0.447 513 I N 3.142 123.656 120.570 -0.093 0.000 2.581 513 I HA 0.290 4.482 4.170 0.037 0.000 0.288 513 I C -0.365 175.629 176.117 -0.204 0.000 1.047 513 I CA 0.638 61.823 61.300 -0.192 0.000 1.374 513 I CB 1.335 39.129 38.000 -0.343 0.000 1.423 513 I HN 0.887 nan 8.210 nan 0.000 0.549 514 T N 4.353 118.768 114.554 -0.231 0.000 2.942 514 T HA 0.821 5.193 4.350 0.037 0.000 0.289 514 T C -0.110 174.462 174.700 -0.213 0.000 1.044 514 T CA -0.722 61.277 62.100 -0.168 0.000 1.023 514 T CB 1.228 70.038 68.868 -0.097 0.000 1.123 514 T HN 0.849 nan 8.240 nan 0.000 0.512 515 A N 1.830 124.574 122.820 -0.127 0.000 2.540 515 A HA 0.432 4.774 4.320 0.037 0.000 0.239 515 A C 0.876 178.402 177.584 -0.098 0.000 1.061 515 A CA -0.235 51.748 52.037 -0.090 0.000 0.758 515 A CB -0.848 18.131 19.000 -0.035 0.000 0.991 515 A HN 0.880 nan 8.150 nan 0.000 0.502 516 T N 2.335 116.848 114.554 -0.069 0.000 2.905 516 T HA 0.242 4.614 4.350 0.037 0.000 0.299 516 T C -0.132 174.536 174.700 -0.052 0.000 1.024 516 T CA 0.993 63.055 62.100 -0.064 0.000 1.151 516 T CB 0.010 68.871 68.868 -0.013 0.000 0.987 516 T HN 0.689 nan 8.240 nan 0.000 0.535 517 D N 1.554 121.925 120.400 -0.048 0.000 2.764 517 D HA 0.134 4.796 4.640 0.037 0.000 0.227 517 D C 1.161 177.445 176.300 -0.027 0.000 1.347 517 D CA -0.515 53.456 54.000 -0.048 0.000 0.953 517 D CB 1.213 41.981 40.800 -0.052 0.000 1.476 517 D HN 0.486 nan 8.370 nan 0.000 0.585 518 T N -0.163 114.374 114.554 -0.029 0.000 3.025 518 T HA -0.122 4.250 4.350 0.037 0.000 0.270 518 T C 1.403 176.105 174.700 0.004 0.000 1.126 518 T CA 1.301 63.397 62.100 -0.006 0.000 1.105 518 T CB -0.181 68.676 68.868 -0.019 0.000 0.884 518 T HN 0.243 nan 8.240 nan 0.000 0.522 519 S N -0.852 114.842 115.700 -0.009 0.000 2.605 519 S HA 0.353 4.845 4.470 0.037 0.000 0.217 519 S C 1.418 176.021 174.600 0.005 0.000 0.958 519 S CA -0.434 57.766 58.200 0.001 0.000 0.919 519 S CB 0.042 63.236 63.200 -0.010 0.000 0.780 519 S HN 0.518 nan 8.310 nan 0.000 0.507 520 K N 0.026 120.429 120.400 0.005 0.000 2.353 520 K HA 0.381 4.723 4.320 0.037 0.000 0.206 520 K C -0.606 176.011 176.600 0.028 0.000 1.191 520 K CA 0.336 56.629 56.287 0.009 0.000 0.897 520 K CB 1.010 33.506 32.500 -0.006 0.000 1.283 520 K HN 0.183 nan 8.250 nan 0.000 0.477 521 V N 4.452 124.388 119.914 0.037 0.000 2.378 521 V HA 0.355 4.497 4.120 0.037 0.000 0.288 521 V C -2.522 173.617 176.094 0.076 0.000 1.016 521 V CA -1.865 60.476 62.300 0.070 0.000 0.840 521 V CB 1.372 33.248 31.823 0.088 0.000 0.994 521 V HN 0.144 nan 8.190 nan 0.000 0.431 522 P HA 0.401 nan 4.420 nan 0.000 0.283 522 P C -0.354 177.016 177.300 0.116 0.000 1.271 522 P CA -0.504 62.649 63.100 0.088 0.000 0.841 522 P CB 0.615 32.362 31.700 0.079 0.000 1.122 523 N N -1.872 116.898 118.700 0.116 0.000 2.727 523 N HA -0.110 4.652 4.740 0.037 0.000 0.249 523 N C 0.030 175.627 175.510 0.145 0.000 1.048 523 N CA 1.190 54.323 53.050 0.138 0.000 0.714 523 N CB -2.292 36.282 38.487 0.146 0.000 0.959 523 N HN 0.646 nan 8.380 nan 0.000 0.544 524 T N -3.393 111.241 114.554 0.132 0.000 2.849 524 T HA 0.555 4.927 4.350 0.037 0.000 0.284 524 T C 0.758 175.525 174.700 0.112 0.000 1.004 524 T CA -0.543 61.627 62.100 0.116 0.000 1.021 524 T CB 1.796 70.729 68.868 0.110 0.000 1.013 524 T HN 0.079 nan 8.240 nan 0.000 0.527 525 S N 0.301 115.999 115.700 -0.005 0.000 2.687 525 S HA 0.668 5.160 4.470 0.037 0.000 0.283 525 S C 0.536 174.920 174.600 -0.360 0.000 1.170 525 S CA -0.752 57.326 58.200 -0.203 0.000 1.008 525 S CB 0.873 63.880 63.200 -0.321 0.000 1.026 525 S HN 1.099 nan 8.310 nan 0.000 0.541 526 A N 1.502 123.780 122.820 -0.903 0.000 2.520 526 A HA 0.339 4.681 4.320 0.037 0.000 0.235 526 A C 0.384 177.889 177.584 -0.132 0.000 1.065 526 A CA -0.024 51.600 52.037 -0.689 0.000 0.764 526 A CB -0.378 18.236 19.000 -0.643 0.000 1.002 526 A HN 0.674 nan 8.150 nan 0.000 0.502 527 T N 1.956 116.466 114.554 -0.074 0.000 2.738 527 T HA 0.538 4.910 4.350 0.037 0.000 0.293 527 T C 0.353 175.013 174.700 -0.066 0.000 0.913 527 T CA 0.911 62.993 62.100 -0.031 0.000 1.103 527 T CB -0.033 68.810 68.868 -0.041 0.000 0.880 527 T HN 1.506 nan 8.240 nan 0.000 0.526 528 A N 2.586 125.347 122.820 -0.099 0.000 2.428 528 A HA 0.802 5.144 4.320 0.037 0.000 0.304 528 A C 0.423 177.702 177.584 -0.510 0.000 1.085 528 A CA -0.262 51.637 52.037 -0.231 0.000 0.605 528 A CB -0.246 18.652 19.000 -0.170 0.000 1.393 528 A HN 1.742 nan 8.150 nan 0.000 0.541 529 A N -0.791 121.688 122.820 -0.568 0.000 2.816 529 A HA 0.120 4.462 4.320 0.037 0.000 0.270 529 A C 1.157 178.486 177.584 -0.425 0.000 1.413 529 A CA 1.803 53.431 52.037 -0.681 0.000 0.866 529 A CB -2.656 15.456 19.000 -1.480 0.000 1.032 529 A HN 2.608 nan 8.150 nan 0.000 0.642 530 S N -2.780 112.749 115.700 -0.285 0.000 3.521 530 S HA -0.267 4.225 4.470 0.037 0.000 0.362 530 S C 0.885 175.374 174.600 -0.186 0.000 1.044 530 S CA 1.612 59.699 58.200 -0.189 0.000 1.091 530 S CB -2.507 60.605 63.200 -0.146 0.000 0.908 530 S HN 2.457 nan 8.310 nan 0.000 0.473 531 S N -1.030 114.524 115.700 -0.244 0.000 2.559 531 S HA 0.446 4.938 4.470 0.037 0.000 0.226 531 S C 1.952 176.506 174.600 -0.077 0.000 1.000 531 S CA 0.338 58.443 58.200 -0.158 0.000 0.948 531 S CB 0.168 63.232 63.200 -0.227 0.000 0.870 531 S HN 0.797 nan 8.310 nan 0.000 0.497 532 G N 2.607 111.355 108.800 -0.087 0.000 2.599 532 G HA2 -0.187 3.795 3.960 0.037 0.000 0.219 532 G HA3 -0.187 3.795 3.960 0.037 0.000 0.219 532 G C 1.581 176.422 174.900 -0.098 0.000 1.193 532 G CA 1.227 46.284 45.100 -0.072 0.000 0.778 532 G HN 0.781 nan 8.290 nan 0.000 0.589 533 A N 0.285 123.048 122.820 -0.094 0.000 1.930 533 A HA 0.107 4.449 4.320 0.037 0.000 0.215 533 A C 2.058 179.579 177.584 -0.107 0.000 1.176 533 A CA 1.874 53.847 52.037 -0.107 0.000 0.632 533 A CB -0.403 18.551 19.000 -0.076 0.000 0.819 533 A HN 0.303 nan 8.150 nan 0.000 0.445 534 D N -0.094 120.264 120.400 -0.069 0.000 2.127 534 D HA -0.210 4.452 4.640 0.037 0.000 0.190 534 D C 2.059 178.261 176.300 -0.163 0.000 1.000 534 D CA 2.163 56.122 54.000 -0.070 0.000 0.839 534 D CB -0.197 40.620 40.800 0.027 0.000 0.955 534 D HN 0.491 nan 8.370 nan 0.000 0.446 535 M N -0.592 118.952 119.600 -0.094 0.000 2.357 535 M HA 0.022 4.524 4.480 0.037 0.000 0.266 535 M C 1.623 177.825 176.300 -0.163 0.000 1.095 535 M CA 0.588 55.834 55.300 -0.090 0.000 1.156 535 M CB -0.043 32.608 32.600 0.086 0.000 1.365 535 M HN -0.016 nan 8.290 nan 0.000 0.447 536 N N 0.768 119.376 118.700 -0.152 0.000 2.331 536 N HA -0.041 4.721 4.740 0.037 0.000 0.180 536 N C 1.849 177.230 175.510 -0.216 0.000 1.019 536 N CA 1.323 54.263 53.050 -0.184 0.000 0.881 536 N CB -0.196 38.114 38.487 -0.294 0.000 0.972 536 N HN 0.413 nan 8.380 nan 0.000 0.435 537 G N 1.532 110.198 108.800 -0.223 0.000 2.418 537 G HA2 -0.201 3.781 3.960 0.037 0.000 0.217 537 G HA3 -0.201 3.781 3.960 0.037 0.000 0.217 537 G C 1.590 176.352 174.900 -0.229 0.000 1.158 537 G CA 0.500 45.490 45.100 -0.184 0.000 0.771 537 G HN 0.113 nan 8.290 nan 0.000 0.545 538 M N 1.168 120.538 119.600 -0.384 0.000 2.099 538 M HA 0.099 4.601 4.480 0.037 0.000 0.262 538 M C 3.044 179.197 176.300 -0.245 0.000 1.067 538 M CA 1.239 56.244 55.300 -0.492 0.000 1.124 538 M CB -1.326 30.548 32.600 -1.210 0.000 1.353 538 M HN 0.310 nan 8.290 nan 0.000 0.410 539 A N -0.404 122.313 122.820 -0.171 0.000 1.940 539 A HA -0.089 4.253 4.320 0.037 0.000 0.219 539 A C 2.447 180.022 177.584 -0.016 0.000 1.176 539 A CA 1.745 53.761 52.037 -0.036 0.000 0.631 539 A CB -0.915 18.082 19.000 -0.005 0.000 0.814 539 A HN 0.310 nan 8.150 nan 0.000 0.446 540 V N 0.149 120.035 119.914 -0.047 0.000 2.379 540 V HA -0.225 3.917 4.120 0.037 0.000 0.245 540 V C 2.523 178.608 176.094 -0.013 0.000 1.044 540 V CA 2.274 64.568 62.300 -0.011 0.000 1.036 540 V CB -0.583 31.230 31.823 -0.017 0.000 0.664 540 V HN 0.774 nan 8.190 nan 0.000 0.453 541 K N 0.587 120.960 120.400 -0.046 0.000 2.097 541 K HA -0.276 4.066 4.320 0.037 0.000 0.206 541 K C 1.860 178.443 176.600 -0.028 0.000 1.049 541 K CA 2.175 58.437 56.287 -0.042 0.000 0.933 541 K CB -0.375 32.058 32.500 -0.112 0.000 0.717 541 K HN 0.449 nan 8.250 nan 0.000 0.442 542 D N -0.019 120.369 120.400 -0.019 0.000 2.144 542 D HA -0.118 4.544 4.640 0.037 0.000 0.199 542 D C 1.623 177.939 176.300 0.026 0.000 0.984 542 D CA 1.451 55.462 54.000 0.018 0.000 0.834 542 D CB -0.035 40.801 40.800 0.061 0.000 0.955 542 D HN 0.385 nan 8.370 nan 0.000 0.465 543 A N -0.804 122.031 122.820 0.025 0.000 1.935 543 A HA -0.027 4.315 4.320 0.037 0.000 0.214 543 A C 2.517 180.104 177.584 0.004 0.000 1.178 543 A CA 0.929 52.980 52.037 0.023 0.000 0.640 543 A CB -0.675 18.343 19.000 0.031 0.000 0.825 543 A HN 0.446 nan 8.150 nan 0.000 0.447 544 C N -0.462 118.838 119.300 -0.001 0.000 2.457 544 C HA -0.027 4.454 4.460 0.037 0.000 0.278 544 C C 2.544 177.516 174.990 -0.030 0.000 1.309 544 C CA 1.012 60.021 59.018 -0.014 0.000 1.735 544 C CB -1.137 26.596 27.740 -0.012 0.000 1.992 544 C HN 0.665 nan 8.230 nan 0.000 0.493 545 E N 0.247 120.434 120.200 -0.021 0.000 2.153 545 E HA -0.163 4.209 4.350 0.037 0.000 0.194 545 E C 2.109 178.696 176.600 -0.021 0.000 0.988 545 E CA 1.440 57.825 56.400 -0.024 0.000 0.811 545 E CB -0.139 29.555 29.700 -0.011 0.000 0.746 545 E HN 0.581 nan 8.360 nan 0.000 0.466 546 T N 1.235 115.784 114.554 -0.010 0.000 2.674 546 T HA -0.128 4.244 4.350 0.037 0.000 0.265 546 T C 1.913 176.602 174.700 -0.019 0.000 1.039 546 T CA 0.928 63.024 62.100 -0.006 0.000 1.150 546 T CB -0.206 68.663 68.868 0.003 0.000 0.864 546 T HN 0.058 nan 8.240 nan 0.000 0.427 547 L N 0.635 121.841 121.223 -0.028 0.000 1.971 547 L HA -0.125 4.237 4.340 0.037 0.000 0.215 547 L C 2.861 179.692 176.870 -0.066 0.000 1.072 547 L CA 1.562 56.379 54.840 -0.039 0.000 0.758 547 L CB -0.627 41.415 42.059 -0.029 0.000 0.889 547 L HN 0.101 nan 8.230 nan 0.000 0.433 548 R N 0.398 120.827 120.500 -0.118 0.000 2.139 548 R HA -0.184 4.178 4.340 0.037 0.000 0.243 548 R C 2.155 178.389 176.300 -0.110 0.000 1.145 548 R CA 1.626 57.575 56.100 -0.252 0.000 0.976 548 R CB -0.595 29.513 30.300 -0.321 0.000 0.866 548 R HN 0.522 nan 8.270 nan 0.000 0.449 549 G N 0.371 109.149 108.800 -0.036 0.000 2.404 549 G HA2 -0.250 3.732 3.960 0.037 0.000 0.215 549 G HA3 -0.250 3.732 3.960 0.037 0.000 0.215 549 G C 1.508 176.432 174.900 0.039 0.000 1.174 549 G CA 0.486 45.597 45.100 0.017 0.000 0.780 549 G HN 0.320 nan 8.290 nan 0.000 0.537 550 R N -0.238 120.273 120.500 0.019 0.000 2.073 550 R HA 0.060 4.422 4.340 0.037 0.000 0.234 550 R C 2.678 179.032 176.300 0.090 0.000 1.134 550 R CA 1.036 57.157 56.100 0.036 0.000 0.952 550 R CB -0.536 29.764 30.300 -0.001 0.000 0.850 550 R HN 0.306 nan 8.270 nan 0.000 0.433 551 L N 0.105 121.376 121.223 0.080 0.000 2.042 551 L HA -0.208 4.154 4.340 0.037 0.000 0.210 551 L C 2.701 179.758 176.870 0.313 0.000 1.076 551 L CA 1.371 56.326 54.840 0.192 0.000 0.749 551 L CB -0.615 41.543 42.059 0.166 0.000 0.893 551 L HN 0.293 nan 8.230 nan 0.000 0.432 552 A N 0.254 123.252 122.820 0.296 0.000 1.877 552 A HA -0.141 4.201 4.320 0.037 0.000 0.216 552 A C 2.413 180.085 177.584 0.147 0.000 1.186 552 A CA 1.724 53.926 52.037 0.275 0.000 0.620 552 A CB -1.363 17.802 19.000 0.275 0.000 0.822 552 A HN 0.449 nan 8.150 nan 0.000 0.443 553 G N -0.931 107.946 108.800 0.129 0.000 2.469 553 G HA2 -0.310 3.672 3.960 0.037 0.000 0.219 553 G HA3 -0.310 3.672 3.960 0.037 0.000 0.219 553 G C 1.487 176.442 174.900 0.091 0.000 1.150 553 G CA 1.380 46.535 45.100 0.091 0.000 0.763 553 G HN 0.616 nan 8.290 nan 0.000 0.561 554 F N 0.953 120.899 119.950 -0.007 0.000 2.206 554 F HA 0.057 4.607 4.527 0.038 0.000 0.298 554 F C 2.476 178.239 175.800 -0.062 0.000 1.090 554 F CA 1.127 59.104 58.000 -0.039 0.000 1.323 554 F CB -0.179 38.787 39.000 -0.057 0.000 1.028 554 F HN -0.009 nan 8.300 nan 0.000 0.492 555 V N 0.604 120.324 119.914 -0.323 0.000 2.667 555 V HA -0.174 3.968 4.120 0.037 0.000 0.252 555 V C 2.637 178.553 176.094 -0.296 0.000 1.065 555 V CA 1.385 63.394 62.300 -0.485 0.000 1.083 555 V CB -1.099 30.565 31.823 -0.265 0.000 0.692 555 V HN 0.517 nan 8.190 nan 0.000 0.468 556 A N 0.164 122.894 122.820 -0.150 0.000 1.854 556 A HA -0.048 4.294 4.320 0.037 0.000 0.214 556 A C 2.439 179.959 177.584 -0.107 0.000 1.192 556 A CA 1.756 53.744 52.037 -0.081 0.000 0.611 556 A CB -0.827 18.161 19.000 -0.020 0.000 0.832 556 A HN 0.531 nan 8.150 nan 0.000 0.442 557 A N -0.619 122.127 122.820 -0.122 0.000 1.978 557 A HA -0.183 4.159 4.320 0.037 0.000 0.220 557 A C 2.296 179.792 177.584 -0.148 0.000 1.170 557 A CA 1.735 53.711 52.037 -0.103 0.000 0.636 557 A CB -0.491 18.463 19.000 -0.076 0.000 0.810 557 A HN 0.470 nan 8.150 nan 0.000 0.448 558 R N -0.273 120.062 120.500 -0.276 0.000 2.062 558 R HA -0.049 4.313 4.340 0.037 0.000 0.226 558 R C 0.623 176.832 176.300 -0.153 0.000 1.125 558 R CA 1.350 57.283 56.100 -0.278 0.000 0.966 558 R CB -0.143 29.819 30.300 -0.562 0.000 0.861 558 R HN 0.418 nan 8.270 nan 0.000 0.433 559 E N 0.108 120.232 120.200 -0.127 0.000 2.403 559 E HA 0.088 4.460 4.350 0.037 0.000 0.188 559 E C 0.001 176.591 176.600 -0.017 0.000 1.056 559 E CA 0.330 56.717 56.400 -0.022 0.000 0.892 559 E CB 0.220 29.956 29.700 0.059 0.000 1.049 559 E HN 0.533 nan 8.360 nan 0.000 0.465 560 G N 2.256 111.034 108.800 -0.038 0.000 2.247 560 G HA2 -0.292 3.690 3.960 0.037 0.000 0.260 560 G HA3 -0.292 3.690 3.960 0.037 0.000 0.260 560 G C 0.457 175.350 174.900 -0.011 0.000 0.852 560 G CA 0.662 45.748 45.100 -0.023 0.000 1.281 560 G HN 0.444 nan 8.290 nan 0.000 0.378 561 C N -0.761 118.533 119.300 -0.011 0.000 3.213 561 C HA 0.998 5.480 4.460 0.037 0.000 0.378 561 C C 0.639 175.632 174.990 0.004 0.000 2.095 561 C CA -0.321 58.698 59.018 0.001 0.000 1.161 561 C CB 1.358 29.104 27.740 0.010 0.000 2.466 561 C HN 2.102 nan 8.230 nan 0.000 0.426 562 A N 0.122 122.950 122.820 0.013 0.000 2.282 562 A HA 0.780 5.122 4.320 0.037 0.000 0.319 562 A C 1.141 178.743 177.584 0.030 0.000 1.121 562 A CA 0.228 52.276 52.037 0.019 0.000 0.836 562 A CB 0.663 19.675 19.000 0.021 0.000 1.146 562 A HN 2.272 nan 8.150 nan 0.000 0.494 563 A N 1.089 123.932 122.820 0.039 0.000 1.930 563 A HA -0.130 4.212 4.320 0.037 0.000 0.217 563 A C 2.043 179.676 177.584 0.081 0.000 1.175 563 A CA 1.623 53.697 52.037 0.062 0.000 0.627 563 A CB -0.511 18.528 19.000 0.065 0.000 0.815 563 A HN 0.945 nan 8.150 nan 0.000 0.443 564 R N -0.549 119.991 120.500 0.066 0.000 2.241 564 R HA -0.100 4.262 4.340 0.037 0.000 0.224 564 R C -0.056 176.286 176.300 0.070 0.000 1.101 564 R CA 1.632 57.775 56.100 0.071 0.000 0.995 564 R CB -0.455 29.877 30.300 0.053 0.000 0.870 564 R HN 0.307 nan 8.270 nan 0.000 0.463 565 D N 1.151 121.586 120.400 0.058 0.000 2.340 565 D HA 0.096 4.758 4.640 0.037 0.000 0.217 565 D C -0.195 176.133 176.300 0.048 0.000 1.081 565 D CA 0.112 54.140 54.000 0.048 0.000 0.842 565 D CB 0.714 41.534 40.800 0.032 0.000 0.934 565 D HN 0.008 nan 8.370 nan 0.000 0.511 566 V N 1.852 121.807 119.914 0.068 0.000 2.498 566 V HA 0.280 4.422 4.120 0.037 0.000 0.279 566 V C 0.463 176.570 176.094 0.021 0.000 1.048 566 V CA -0.356 61.962 62.300 0.030 0.000 0.967 566 V CB 1.736 33.592 31.823 0.056 0.000 0.988 566 V HN -0.069 nan 8.190 nan 0.000 0.473 567 I N 4.872 125.372 120.570 -0.116 0.000 2.436 567 I HA 0.468 4.660 4.170 0.037 0.000 0.289 567 I C -1.076 174.910 176.117 -0.219 0.000 1.010 567 I CA -0.220 61.054 61.300 -0.043 0.000 1.098 567 I CB 1.781 39.783 38.000 0.003 0.000 1.266 567 I HN 0.420 nan 8.210 nan 0.000 0.434 568 F N 4.668 124.684 119.950 0.109 0.000 2.426 568 F HA 0.497 5.047 4.527 0.037 0.000 0.348 568 F C 0.067 175.910 175.800 0.072 0.000 1.124 568 F CA -0.522 57.552 58.000 0.123 0.000 1.008 568 F CB 1.087 40.171 39.000 0.140 0.000 1.139 568 F HN 0.337 nan 8.300 nan 0.000 0.452 569 D N 2.082 122.588 120.400 0.175 0.000 2.836 569 D HA 0.384 5.046 4.640 0.037 0.000 0.215 569 D C -0.475 175.864 176.300 0.065 0.000 1.255 569 D CA -0.223 53.837 54.000 0.101 0.000 0.822 569 D CB 2.130 42.970 40.800 0.067 0.000 1.656 569 D HN 0.704 nan 8.370 nan 0.000 0.511 570 A N 2.231 125.069 122.820 0.031 0.000 2.687 570 A HA 0.012 4.354 4.320 0.037 0.000 0.299 570 A C 1.334 178.932 177.584 0.024 0.000 1.497 570 A CA 2.025 54.069 52.037 0.012 0.000 0.751 570 A CB -2.164 16.844 19.000 0.013 0.000 1.048 570 A HN 1.819 nan 8.150 nan 0.000 0.464 571 G N -2.464 106.346 108.800 0.016 0.000 2.168 571 G HA2 -0.225 3.757 3.960 0.037 0.000 0.263 571 G HA3 -0.225 3.757 3.960 0.037 0.000 0.263 571 G C -0.069 174.922 174.900 0.151 0.000 0.977 571 G CA 1.058 46.187 45.100 0.049 0.000 0.659 571 G HN 1.586 nan 8.290 nan 0.000 0.533 572 Q N -0.955 118.934 119.800 0.149 0.000 2.433 572 Q HA 0.720 5.082 4.340 0.037 0.000 0.279 572 Q C -0.893 175.188 176.000 0.135 0.000 1.105 572 Q CA -0.869 55.029 55.803 0.158 0.000 0.815 572 Q CB 3.019 31.810 28.738 0.089 0.000 1.403 572 Q HN 0.269 nan 8.270 nan 0.000 0.435 573 V N 1.163 121.157 119.914 0.133 0.000 2.588 573 V HA 0.411 4.553 4.120 0.037 0.000 0.304 573 V C -0.826 175.333 176.094 0.108 0.000 1.042 573 V CA -0.589 61.687 62.300 -0.040 0.000 0.877 573 V CB 2.024 33.810 31.823 -0.061 0.000 0.996 573 V HN 0.673 nan 8.190 nan 0.000 0.425 574 Q N 2.083 121.873 119.800 -0.016 0.000 2.305 574 Q HA 0.843 5.205 4.340 0.037 0.000 0.271 574 Q C -1.082 174.952 176.000 0.056 0.000 1.046 574 Q CA -0.443 55.382 55.803 0.036 0.000 0.798 574 Q CB 2.449 31.175 28.738 -0.020 0.000 1.286 574 Q HN 1.030 nan 8.270 nan 0.000 0.435 575 A N 1.232 124.115 122.820 0.106 0.000 2.577 575 A HA 0.554 4.896 4.320 0.037 0.000 0.297 575 A C -0.341 177.277 177.584 0.058 0.000 1.060 575 A CA -0.319 51.779 52.037 0.102 0.000 0.697 575 A CB 1.380 20.485 19.000 0.174 0.000 1.281 575 A HN 0.754 nan 8.150 nan 0.000 0.402 576 S N 0.352 116.069 115.700 0.029 0.000 3.486 576 S HA -0.081 4.411 4.470 0.037 0.000 0.371 576 S C 1.674 176.256 174.600 -0.031 0.000 1.001 576 S CA 2.081 60.285 58.200 0.006 0.000 1.164 576 S CB -1.497 61.718 63.200 0.026 0.000 0.911 576 S HN 2.841 nan 8.310 nan 0.000 0.472 577 G N -0.792 107.978 108.800 -0.050 0.000 2.184 577 G HA2 -0.346 3.636 3.960 0.037 0.000 0.264 577 G HA3 -0.346 3.636 3.960 0.037 0.000 0.264 577 G C -0.038 174.768 174.900 -0.155 0.000 0.975 577 G CA 1.019 46.070 45.100 -0.083 0.000 0.642 577 G HN 0.694 nan 8.290 nan 0.000 0.536 578 K N 0.006 120.269 120.400 -0.229 0.000 2.245 578 K HA 0.802 5.144 4.320 0.037 0.000 0.234 578 K C 0.189 176.424 176.600 -0.608 0.000 1.021 578 K CA -0.068 55.935 56.287 -0.474 0.000 0.898 578 K CB 1.885 33.971 32.500 -0.691 0.000 1.163 578 K HN 0.593 nan 8.250 nan 0.000 0.459 579 S N -0.446 114.768 115.700 -0.810 0.000 2.541 579 S HA 0.648 5.140 4.470 0.037 0.000 0.271 579 S C -1.578 172.684 174.600 -0.564 0.000 1.133 579 S CA -0.964 56.914 58.200 -0.535 0.000 0.876 579 S CB 0.986 64.056 63.200 -0.216 0.000 1.105 579 S HN 0.604 nan 8.310 nan 0.000 0.470 580 W N 0.658 121.950 121.300 -0.015 0.000 3.062 580 W HA 0.481 5.164 4.660 0.037 0.000 0.336 580 W C -0.174 176.370 176.519 0.041 0.000 1.224 580 W CA -1.026 56.326 57.345 0.012 0.000 1.159 580 W CB 1.906 31.374 29.460 0.014 0.000 1.454 580 W HN 0.617 nan 8.180 nan 0.000 0.569 581 R N 0.951 121.647 120.500 0.327 0.000 2.543 581 R HA 0.084 4.446 4.340 0.037 0.000 0.277 581 R C 1.155 177.633 176.300 0.297 0.000 1.074 581 R CA -0.371 55.886 56.100 0.261 0.000 1.076 581 R CB 0.639 31.059 30.300 0.201 0.000 0.993 581 R HN 0.431 nan 8.270 nan 0.000 0.459 582 F N 2.883 122.920 119.950 0.145 0.000 2.115 582 F HA -0.339 4.209 4.527 0.035 0.000 0.300 582 F C 2.073 177.943 175.800 0.117 0.000 1.092 582 F CA 2.278 60.371 58.000 0.154 0.000 1.245 582 F CB -0.162 38.931 39.000 0.155 0.000 0.995 582 F HN 0.696 nan 8.300 nan 0.000 0.481 583 A N -0.143 122.824 122.820 0.245 0.000 1.940 583 A HA -0.230 4.112 4.320 0.037 0.000 0.219 583 A C 2.062 179.647 177.584 0.002 0.000 1.176 583 A CA 1.922 54.011 52.037 0.086 0.000 0.631 583 A CB -0.860 18.218 19.000 0.130 0.000 0.814 583 A HN 0.606 nan 8.150 nan 0.000 0.446 584 E N -0.430 119.802 120.200 0.054 0.000 2.150 584 E HA -0.134 4.238 4.350 0.037 0.000 0.193 584 E C 1.724 178.280 176.600 -0.073 0.000 0.985 584 E CA 0.898 57.315 56.400 0.028 0.000 0.814 584 E CB -0.178 29.593 29.700 0.118 0.000 0.752 584 E HN 0.514 nan 8.360 nan 0.000 0.466 585 I N 0.668 121.163 120.570 -0.125 0.000 2.252 585 I HA -0.179 4.013 4.170 0.037 0.000 0.245 585 I C 2.318 178.313 176.117 -0.204 0.000 1.102 585 I CA 0.919 62.112 61.300 -0.178 0.000 1.385 585 I CB -0.878 37.029 38.000 -0.155 0.000 1.064 585 I HN 0.008 nan 8.210 nan 0.000 0.414 586 V N 1.207 120.937 119.914 -0.308 0.000 2.427 586 V HA -0.221 3.921 4.120 0.037 0.000 0.248 586 V C 2.749 178.744 176.094 -0.165 0.000 1.051 586 V CA 1.652 63.770 62.300 -0.305 0.000 1.048 586 V CB -0.908 30.704 31.823 -0.351 0.000 0.666 586 V HN 0.439 nan 8.190 nan 0.000 0.456 587 A N -0.115 122.647 122.820 -0.097 0.000 1.898 587 A HA -0.074 4.268 4.320 0.037 0.000 0.216 587 A C 2.425 180.001 177.584 -0.012 0.000 1.181 587 A CA 1.898 53.929 52.037 -0.010 0.000 0.620 587 A CB -0.748 18.258 19.000 0.010 0.000 0.819 587 A HN 0.551 nan 8.150 nan 0.000 0.442 588 A N -0.097 122.685 122.820 -0.063 0.000 1.902 588 A HA 0.151 4.493 4.320 0.037 0.000 0.217 588 A C 2.481 179.823 177.584 -0.404 0.000 1.181 588 A CA 2.089 54.091 52.037 -0.058 0.000 0.623 588 A CB -0.961 18.110 19.000 0.119 0.000 0.818 588 A HN 1.044 nan 8.150 nan 0.000 0.443 589 A N -1.417 120.997 122.820 -0.676 0.000 1.930 589 A HA -0.061 4.281 4.320 0.037 0.000 0.217 589 A C 2.097 179.396 177.584 -0.476 0.000 1.175 589 A CA 1.627 53.045 52.037 -1.032 0.000 0.627 589 A CB -0.793 17.735 19.000 -0.786 0.000 0.815 589 A HN 0.762 nan 8.150 nan 0.000 0.443 590 Y N 0.605 120.700 120.300 -0.341 0.000 2.070 590 Y HA -0.273 4.299 4.550 0.038 0.000 0.280 590 Y C 2.289 178.081 175.900 -0.180 0.000 1.148 590 Y CA 2.349 60.320 58.100 -0.215 0.000 1.125 590 Y CB -0.368 38.005 38.460 -0.146 0.000 0.975 590 Y HN 0.237 nan 8.280 nan 0.000 0.492 591 M N 0.296 119.695 119.600 -0.335 0.000 2.202 591 M HA -0.158 4.344 4.480 0.037 0.000 0.262 591 M C 2.172 178.302 176.300 -0.283 0.000 1.063 591 M CA 1.682 56.783 55.300 -0.332 0.000 1.097 591 M CB -1.840 30.695 32.600 -0.109 0.000 1.382 591 M HN 0.520 nan 8.290 nan 0.000 0.413 592 A N -0.295 122.361 122.820 -0.273 0.000 2.238 592 A HA 0.093 4.435 4.320 0.037 0.000 0.208 592 A C 0.767 178.224 177.584 -0.211 0.000 1.177 592 A CA -0.074 51.856 52.037 -0.179 0.000 0.804 592 A CB -0.403 18.536 19.000 -0.102 0.000 0.823 592 A HN 0.568 nan 8.150 nan 0.000 0.482 593 R N -1.257 119.062 120.500 -0.302 0.000 3.261 593 R HA -0.124 4.238 4.340 0.037 0.000 0.257 593 R C -1.073 175.121 176.300 -0.177 0.000 1.014 593 R CA 0.641 56.593 56.100 -0.247 0.000 0.681 593 R CB -2.061 28.130 30.300 -0.183 0.000 1.155 593 R HN 0.548 nan 8.270 nan 0.000 0.424 594 I N 0.734 121.179 120.570 -0.208 0.000 2.354 594 I HA 0.110 4.302 4.170 0.037 0.000 0.292 594 I C 0.990 177.039 176.117 -0.113 0.000 0.989 594 I CA -0.466 60.739 61.300 -0.158 0.000 1.188 594 I CB 1.856 39.722 38.000 -0.223 0.000 1.342 594 I HN 0.178 nan 8.210 nan 0.000 0.457 595 S N 6.838 122.493 115.700 -0.075 0.000 2.549 595 S HA 0.209 4.701 4.470 0.037 0.000 0.286 595 S C 0.242 174.804 174.600 -0.064 0.000 1.314 595 S CA -0.050 58.117 58.200 -0.055 0.000 1.062 595 S CB 0.328 63.503 63.200 -0.042 0.000 0.865 595 S HN 0.568 nan 8.310 nan 0.000 0.498 596 L N 3.988 125.172 121.223 -0.065 0.000 3.141 596 L HA 0.359 4.721 4.340 0.037 0.000 0.267 596 L C 0.391 177.199 176.870 -0.103 0.000 1.281 596 L CA -0.267 54.520 54.840 -0.088 0.000 1.037 596 L CB 0.379 42.377 42.059 -0.101 0.000 1.407 596 L HN 0.623 nan 8.230 nan 0.000 0.566 597 S N 0.529 116.182 115.700 -0.077 0.000 2.541 597 S HA 0.892 5.384 4.470 0.037 0.000 0.280 597 S C -1.011 173.562 174.600 -0.046 0.000 1.112 597 S CA -0.284 57.870 58.200 -0.076 0.000 0.925 597 S CB 1.959 65.117 63.200 -0.071 0.000 1.067 597 S HN 0.208 nan 8.310 nan 0.000 0.479 598 A N 2.464 125.264 122.820 -0.034 0.000 2.547 598 A HA 0.769 5.111 4.320 0.037 0.000 0.297 598 A C -0.122 177.466 177.584 0.006 0.000 1.056 598 A CA -0.586 51.444 52.037 -0.012 0.000 0.688 598 A CB 1.212 20.206 19.000 -0.010 0.000 1.282 598 A HN 1.023 nan 8.150 nan 0.000 0.400 599 T N -0.685 113.882 114.554 0.022 0.000 2.897 599 T HA 0.850 5.222 4.350 0.037 0.000 0.278 599 T C 0.333 175.077 174.700 0.073 0.000 0.981 599 T CA -0.182 61.948 62.100 0.049 0.000 0.973 599 T CB 1.766 70.667 68.868 0.054 0.000 1.092 599 T HN 1.921 nan 8.240 nan 0.000 0.543 600 G N -0.383 108.487 108.800 0.118 0.000 2.706 600 G HA2 0.619 4.601 3.960 0.037 0.000 0.297 600 G HA3 0.619 4.601 3.960 0.037 0.000 0.297 600 G C -2.154 172.903 174.900 0.262 0.000 1.403 600 G CA -0.807 44.381 45.100 0.147 0.000 0.954 600 G HN 0.753 nan 8.290 nan 0.000 0.500 601 F N 0.916 120.908 119.950 0.071 0.000 2.631 601 F HA 0.793 5.341 4.527 0.035 0.000 0.308 601 F C -1.945 173.960 175.800 0.175 0.000 1.097 601 F CA -1.115 56.944 58.000 0.097 0.000 0.952 601 F CB 2.396 41.434 39.000 0.063 0.000 1.307 601 F HN 0.642 nan 8.300 nan 0.000 0.450 602 Y N 2.959 122.758 120.300 -0.834 0.000 2.480 602 Y HA 0.720 5.291 4.550 0.036 0.000 0.329 602 Y C -1.931 173.592 175.900 -0.628 0.000 1.127 602 Y CA -0.739 57.069 58.100 -0.487 0.000 1.037 602 Y CB 1.652 39.950 38.460 -0.269 0.000 1.320 602 Y HN 0.902 nan 8.280 nan 0.000 0.446 603 A N 3.724 125.948 122.820 -0.994 0.000 2.359 603 A HA 0.656 4.998 4.320 0.037 0.000 0.303 603 A C -0.881 176.159 177.584 -0.907 0.000 1.066 603 A CA -0.689 50.949 52.037 -0.667 0.000 0.730 603 A CB 0.976 19.858 19.000 -0.197 0.000 1.211 603 A HN 0.671 nan 8.150 nan 0.000 0.439 604 T N 5.006 119.220 114.554 -0.567 0.000 2.884 604 T HA 0.489 4.861 4.350 0.037 0.000 0.298 604 T C -2.012 172.559 174.700 -0.216 0.000 0.998 604 T CA -0.341 61.530 62.100 -0.383 0.000 1.124 604 T CB 0.561 69.400 68.868 -0.049 0.000 0.931 604 T HN 0.594 nan 8.240 nan 0.000 0.531 605 P HA 0.381 nan 4.420 nan 0.000 0.297 605 P C -0.131 177.155 177.300 -0.022 0.000 1.307 605 P CA -0.774 62.284 63.100 -0.070 0.000 0.773 605 P CB 0.400 32.075 31.700 -0.040 0.000 1.265 606 K N -2.225 118.170 120.400 -0.008 0.000 3.104 606 K HA -0.173 4.169 4.320 0.037 0.000 0.285 606 K C -0.267 176.334 176.600 0.002 0.000 1.136 606 K CA 0.676 56.965 56.287 0.004 0.000 0.842 606 K CB -2.215 30.293 32.500 0.013 0.000 1.217 606 K HN 0.339 nan 8.250 nan 0.000 0.467 607 L N 0.150 121.372 121.223 -0.000 0.000 2.322 607 L HA 0.579 4.941 4.340 0.037 0.000 0.279 607 L C 0.177 177.071 176.870 0.040 0.000 1.036 607 L CA -0.820 54.020 54.840 -0.000 0.000 0.807 607 L CB 1.985 44.036 42.059 -0.013 0.000 1.226 607 L HN 0.018 nan 8.230 nan 0.000 0.433 608 S N 2.315 118.060 115.700 0.075 0.000 2.596 608 S HA 0.580 5.072 4.470 0.037 0.000 0.305 608 S C -2.125 172.617 174.600 0.236 0.000 1.086 608 S CA -0.708 57.569 58.200 0.128 0.000 0.909 608 S CB 0.894 64.134 63.200 0.066 0.000 1.106 608 S HN 0.697 nan 8.310 nan 0.000 0.450 609 W N 3.517 124.766 121.300 -0.084 0.000 3.059 609 W HA 0.624 5.306 4.660 0.036 0.000 0.329 609 W C -2.525 173.934 176.519 -0.100 0.000 1.246 609 W CA -0.728 56.550 57.345 -0.111 0.000 1.190 609 W CB 0.419 29.776 29.460 -0.171 0.000 1.423 609 W HN 0.606 nan 8.180 nan 0.000 0.571 610 D N 2.336 122.400 120.400 -0.561 0.000 2.471 610 D HA 0.318 4.980 4.640 0.037 0.000 0.245 610 D C 1.050 176.764 176.300 -0.976 0.000 1.116 610 D CA -0.357 53.230 54.000 -0.687 0.000 0.853 610 D CB 1.865 42.465 40.800 -0.333 0.000 1.123 610 D HN 0.494 nan 8.370 nan 0.000 0.540 611 R N 3.106 122.903 120.500 -1.173 0.000 2.080 611 R HA -0.064 4.298 4.340 0.037 0.000 0.236 611 R C 1.846 177.988 176.300 -0.264 0.000 1.137 611 R CA 1.030 56.585 56.100 -0.908 0.000 0.943 611 R CB -0.015 29.987 30.300 -0.496 0.000 0.846 611 R HN 0.529 nan 8.270 nan 0.000 0.431 612 L N -0.128 120.989 121.223 -0.177 0.000 2.083 612 L HA -0.179 4.183 4.340 0.037 0.000 0.209 612 L C 2.526 179.389 176.870 -0.011 0.000 1.083 612 L CA 1.431 56.267 54.840 -0.005 0.000 0.752 612 L CB -0.291 41.745 42.059 -0.039 0.000 0.899 612 L HN 0.243 nan 8.230 nan 0.000 0.433 613 R N -0.501 119.893 120.500 -0.178 0.000 2.173 613 R HA 0.098 4.460 4.340 0.037 0.000 0.208 613 R C 1.055 177.101 176.300 -0.423 0.000 1.035 613 R CA 0.632 56.621 56.100 -0.184 0.000 1.004 613 R CB 0.159 30.365 30.300 -0.157 0.000 0.917 613 R HN 0.419 nan 8.270 nan 0.000 0.462 614 G N 1.677 110.030 108.800 -0.745 0.000 2.248 614 G HA2 -0.204 3.778 3.960 0.037 0.000 0.263 614 G HA3 -0.204 3.778 3.960 0.037 0.000 0.263 614 G C -0.407 174.131 174.900 -0.603 0.000 1.082 614 G CA -0.136 44.099 45.100 -1.441 0.000 0.863 614 G HN 0.161 nan 8.290 nan 0.000 0.495 615 Q N -1.169 118.470 119.800 -0.269 0.000 2.379 615 Q HA 0.749 5.111 4.340 0.037 0.000 0.278 615 Q C 0.425 176.483 176.000 0.096 0.000 1.068 615 Q CA 0.243 56.015 55.803 -0.051 0.000 0.816 615 Q CB 2.185 30.878 28.738 -0.074 0.000 1.387 615 Q HN 1.665 nan 8.270 nan 0.000 0.413 616 G N 1.201 110.086 108.800 0.141 0.000 2.247 616 G HA2 -0.035 3.947 3.960 0.037 0.000 0.229 616 G HA3 -0.035 3.947 3.960 0.037 0.000 0.229 616 G C -1.429 173.548 174.900 0.128 0.000 1.345 616 G CA -0.883 44.310 45.100 0.156 0.000 1.100 616 G HN 0.321 nan 8.290 nan 0.000 0.473 617 R N 1.772 122.323 120.500 0.085 0.000 2.443 617 R HA 0.397 4.759 4.340 0.037 0.000 0.287 617 R C -1.861 174.301 176.300 -0.230 0.000 1.425 617 R CA -1.534 54.545 56.100 -0.034 0.000 1.300 617 R CB 1.872 32.164 30.300 -0.014 0.000 1.129 617 R HN 0.344 nan 8.270 nan 0.000 0.577 618 P HA -0.010 nan 4.420 nan 0.000 0.231 618 P C -0.232 176.480 177.300 -0.980 0.000 1.168 618 P CA 0.610 62.991 63.100 -1.199 0.000 0.779 618 P CB 0.354 30.669 31.700 -2.309 0.000 0.844 619 F N -0.788 118.949 119.950 -0.355 0.000 2.492 619 F HA 0.277 4.826 4.527 0.036 0.000 0.327 619 F C 1.624 177.238 175.800 -0.309 0.000 1.079 619 F CA -1.283 56.471 58.000 -0.410 0.000 0.967 619 F CB 1.361 39.953 39.000 -0.681 0.000 1.169 619 F HN -0.318 nan 8.300 nan 0.000 0.472 620 L N 2.652 123.847 121.223 -0.045 0.000 2.095 620 L HA 0.111 4.473 4.340 0.037 0.000 0.204 620 L C -0.355 176.576 176.870 0.102 0.000 1.080 620 L CA 1.489 56.365 54.840 0.059 0.000 0.759 620 L CB -0.370 41.809 42.059 0.199 0.000 0.914 620 L HN 0.657 nan 8.230 nan 0.000 0.439 621 Y N -4.436 115.733 120.300 -0.218 0.000 2.764 621 Y HA 0.583 5.154 4.550 0.036 0.000 0.331 621 Y C -1.472 174.139 175.900 -0.483 0.000 1.280 621 Y CA -2.323 55.626 58.100 -0.252 0.000 1.065 621 Y CB 0.314 38.737 38.460 -0.062 0.000 1.319 621 Y HN -0.195 nan 8.280 nan 0.000 0.453 622 F N 1.347 121.315 119.950 0.031 0.000 2.495 622 F HA 0.821 5.371 4.527 0.037 0.000 0.327 622 F C 0.203 175.844 175.800 -0.264 0.000 1.103 622 F CA -0.884 56.937 58.000 -0.298 0.000 0.949 622 F CB 2.225 40.952 39.000 -0.455 0.000 1.142 622 F HN 0.810 nan 8.300 nan 0.000 0.457 623 A N 3.186 125.919 122.820 -0.144 0.000 2.310 623 A HA 0.747 5.088 4.320 0.037 0.000 0.299 623 A C -1.629 175.743 177.584 -0.354 0.000 1.147 623 A CA -0.268 51.722 52.037 -0.077 0.000 0.818 623 A CB 0.340 19.353 19.000 0.022 0.000 1.096 623 A HN 0.732 nan 8.150 nan 0.000 0.495 624 Y N -0.045 120.176 120.300 -0.133 0.000 2.633 624 Y HA 0.737 5.310 4.550 0.037 0.000 0.339 624 Y C 0.782 176.463 175.900 -0.365 0.000 1.045 624 Y CA 0.132 58.109 58.100 -0.205 0.000 1.098 624 Y CB 2.663 40.953 38.460 -0.283 0.000 1.296 624 Y HN 1.122 nan 8.280 nan 0.000 0.494 625 G N -0.374 108.418 108.800 -0.014 0.000 2.322 625 G HA2 0.649 4.631 3.960 0.037 0.000 0.295 625 G HA3 0.649 4.631 3.960 0.037 0.000 0.295 625 G C -2.238 172.692 174.900 0.052 0.000 1.369 625 G CA -0.176 44.950 45.100 0.043 0.000 0.821 625 G HN 0.981 nan 8.290 nan 0.000 0.536 626 A N -1.361 121.498 122.820 0.065 0.000 2.604 626 A HA 1.065 5.407 4.320 0.037 0.000 0.295 626 A C -0.546 177.064 177.584 0.043 0.000 1.067 626 A CA 0.283 52.343 52.037 0.038 0.000 0.683 626 A CB 1.371 20.358 19.000 -0.022 0.000 1.281 626 A HN 2.548 nan 8.150 nan 0.000 0.407 627 A N 0.967 123.809 122.820 0.036 0.000 2.449 627 A HA 0.802 5.144 4.320 0.037 0.000 0.302 627 A C -1.099 176.471 177.584 -0.024 0.000 1.048 627 A CA -0.347 51.697 52.037 0.013 0.000 0.708 627 A CB 0.901 19.943 19.000 0.070 0.000 1.274 627 A HN 0.822 nan 8.150 nan 0.000 0.410 628 I N 1.752 122.281 120.570 -0.068 0.000 2.389 628 I HA 0.397 4.589 4.170 0.037 0.000 0.288 628 I C -0.294 175.808 176.117 -0.025 0.000 0.999 628 I CA -0.192 61.054 61.300 -0.091 0.000 1.129 628 I CB 2.255 40.142 38.000 -0.188 0.000 1.288 628 I HN 0.577 nan 8.210 nan 0.000 0.444 629 T N 5.434 120.005 114.554 0.029 0.000 2.829 629 T HA 0.277 4.649 4.350 0.037 0.000 0.280 629 T C -0.606 174.118 174.700 0.040 0.000 0.999 629 T CA -0.535 61.589 62.100 0.039 0.000 0.983 629 T CB 1.735 70.665 68.868 0.103 0.000 0.968 629 T HN 0.549 nan 8.240 nan 0.000 0.446 630 E N 2.760 122.964 120.200 0.007 0.000 2.171 630 E HA 0.618 4.990 4.350 0.037 0.000 0.271 630 E C -0.723 175.849 176.600 -0.047 0.000 0.916 630 E CA -0.767 55.625 56.400 -0.014 0.000 0.774 630 E CB 1.117 30.801 29.700 -0.027 0.000 1.128 630 E HN 0.492 nan 8.360 nan 0.000 0.403 631 V N 0.907 120.787 119.914 -0.057 0.000 3.158 631 V HA 0.820 4.962 4.120 0.037 0.000 0.311 631 V C -0.789 175.251 176.094 -0.090 0.000 1.181 631 V CA -0.753 61.504 62.300 -0.071 0.000 1.054 631 V CB 1.704 33.490 31.823 -0.061 0.000 1.085 631 V HN 0.450 nan 8.190 nan 0.000 0.446 632 V N 0.711 120.577 119.914 -0.080 0.000 2.925 632 V HA 0.791 4.933 4.120 0.037 0.000 0.311 632 V C -0.389 175.685 176.094 -0.033 0.000 1.104 632 V CA -0.449 61.815 62.300 -0.060 0.000 0.954 632 V CB 1.309 33.101 31.823 -0.051 0.000 1.022 632 V HN 1.343 nan 8.190 nan 0.000 0.427 633 I N -0.833 119.732 120.570 -0.009 0.000 2.934 633 I HA 0.863 5.055 4.170 0.037 0.000 0.306 633 I C -1.360 174.763 176.117 0.011 0.000 1.110 633 I CA -0.560 60.731 61.300 -0.016 0.000 1.019 633 I CB 2.445 40.419 38.000 -0.043 0.000 1.227 633 I HN 0.654 nan 8.210 nan 0.000 0.434 634 D N 3.102 123.500 120.400 -0.003 0.000 2.392 634 D HA 0.337 4.999 4.640 0.037 0.000 0.228 634 D C 0.604 176.897 176.300 -0.011 0.000 1.074 634 D CA -0.545 53.458 54.000 0.004 0.000 0.838 634 D CB 1.307 42.106 40.800 -0.002 0.000 1.067 634 D HN 0.534 nan 8.370 nan 0.000 0.511 635 R N 2.826 123.320 120.500 -0.010 0.000 2.293 635 R HA -0.016 4.346 4.340 0.037 0.000 0.219 635 R C 1.339 177.626 176.300 -0.022 0.000 1.091 635 R CA 0.603 56.690 56.100 -0.021 0.000 1.004 635 R CB 0.116 30.402 30.300 -0.023 0.000 0.865 635 R HN 0.555 nan 8.270 nan 0.000 0.469 636 L N -0.559 120.653 121.223 -0.018 0.000 2.168 636 L HA -0.041 4.321 4.340 0.037 0.000 0.203 636 L C 2.123 178.982 176.870 -0.019 0.000 1.078 636 L CA 1.431 56.261 54.840 -0.018 0.000 0.780 636 L CB -0.078 41.972 42.059 -0.015 0.000 0.939 636 L HN 0.243 nan 8.230 nan 0.000 0.451 637 T N -5.518 109.025 114.554 -0.019 0.000 2.971 637 T HA 0.330 4.702 4.350 0.037 0.000 0.252 637 T C 1.346 176.031 174.700 -0.026 0.000 1.022 637 T CA 0.516 62.603 62.100 -0.021 0.000 0.980 637 T CB 1.185 70.042 68.868 -0.019 0.000 1.044 637 T HN 0.363 nan 8.240 nan 0.000 0.501 638 G N 1.485 110.267 108.800 -0.029 0.000 2.213 638 G HA2 -0.219 3.763 3.960 0.037 0.000 0.226 638 G HA3 -0.219 3.763 3.960 0.037 0.000 0.226 638 G C -0.129 174.748 174.900 -0.038 0.000 0.992 638 G CA -0.107 44.971 45.100 -0.038 0.000 0.632 638 G HN 0.637 nan 8.290 nan 0.000 0.511 639 E N 0.913 121.094 120.200 -0.031 0.000 2.467 639 E HA 0.386 4.758 4.350 0.037 0.000 0.264 639 E C 0.514 177.094 176.600 -0.033 0.000 1.020 639 E CA 1.083 57.465 56.400 -0.031 0.000 0.945 639 E CB 0.251 29.936 29.700 -0.024 0.000 0.942 639 E HN 0.817 nan 8.360 nan 0.000 0.449 640 N N 0.376 119.053 118.700 -0.039 0.000 3.127 640 N HA 0.440 5.202 4.740 0.037 0.000 0.239 640 N C -1.548 173.933 175.510 -0.048 0.000 1.407 640 N CA -1.073 51.952 53.050 -0.043 0.000 0.891 640 N CB 1.353 39.807 38.487 -0.055 0.000 1.447 640 N HN 0.516 nan 8.380 nan 0.000 0.507 641 R N -0.177 120.292 120.500 -0.051 0.000 2.728 641 R HA 0.474 4.836 4.340 0.037 0.000 0.274 641 R C -1.711 174.551 176.300 -0.063 0.000 1.030 641 R CA -0.976 55.090 56.100 -0.057 0.000 0.876 641 R CB 0.666 30.937 30.300 -0.048 0.000 1.259 641 R HN 0.528 nan 8.270 nan 0.000 0.468 642 I N 2.870 123.400 120.570 -0.067 0.000 2.337 642 I HA 0.102 4.294 4.170 0.037 0.000 0.291 642 I C 1.164 177.234 176.117 -0.079 0.000 1.046 642 I CA -0.415 60.844 61.300 -0.069 0.000 1.324 642 I CB 1.195 39.156 38.000 -0.065 0.000 1.409 642 I HN 0.528 nan 8.210 nan 0.000 0.494 643 L N 5.727 126.901 121.223 -0.082 0.000 2.168 643 L HA 0.207 4.569 4.340 0.037 0.000 0.203 643 L C 1.084 177.903 176.870 -0.084 0.000 1.078 643 L CA 0.658 55.447 54.840 -0.085 0.000 0.780 643 L CB -0.051 41.945 42.059 -0.105 0.000 0.939 643 L HN 0.550 nan 8.230 nan 0.000 0.451 644 R N -1.061 119.389 120.500 -0.085 0.000 2.643 644 R HA 0.446 4.808 4.340 0.037 0.000 0.269 644 R C -1.644 174.596 176.300 -0.100 0.000 1.037 644 R CA -0.327 55.724 56.100 -0.082 0.000 0.894 644 R CB 2.252 32.522 30.300 -0.049 0.000 1.238 644 R HN -0.215 nan 8.270 nan 0.000 0.459 645 T N 1.947 116.415 114.554 -0.143 0.000 2.912 645 T HA 0.381 4.753 4.350 0.037 0.000 0.299 645 T C -1.756 172.889 174.700 -0.091 0.000 1.052 645 T CA -0.656 61.322 62.100 -0.204 0.000 0.996 645 T CB 1.766 70.292 68.868 -0.570 0.000 1.070 645 T HN 0.561 nan 8.240 nan 0.000 0.465 646 D N 1.499 121.852 120.400 -0.078 0.000 2.757 646 D HA 0.628 5.290 4.640 0.037 0.000 0.249 646 D C -0.853 175.422 176.300 -0.041 0.000 1.168 646 D CA -0.320 53.665 54.000 -0.025 0.000 0.870 646 D CB 1.658 42.452 40.800 -0.011 0.000 1.411 646 D HN 0.338 nan 8.370 nan 0.000 0.525 647 I N 1.998 122.560 120.570 -0.013 0.000 2.608 647 I HA 0.455 4.647 4.170 0.037 0.000 0.295 647 I C -1.460 174.688 176.117 0.051 0.000 1.049 647 I CA -1.099 60.205 61.300 0.007 0.000 1.063 647 I CB 2.016 40.013 38.000 -0.006 0.000 1.248 647 I HN 0.123 nan 8.210 nan 0.000 0.424 648 L N 6.090 127.363 121.223 0.082 0.000 2.404 648 L HA 0.537 4.899 4.340 0.037 0.000 0.272 648 L C -1.308 175.662 176.870 0.167 0.000 0.980 648 L CA -0.168 54.748 54.840 0.127 0.000 0.836 648 L CB 1.089 43.218 42.059 0.118 0.000 1.238 648 L HN 0.578 nan 8.230 nan 0.000 0.408 649 H N 1.827 120.952 119.070 0.091 0.000 2.768 649 H HA 0.519 5.097 4.556 0.037 0.000 0.371 649 H C -1.446 173.969 175.328 0.146 0.000 1.151 649 H CA -0.625 55.470 56.048 0.078 0.000 1.165 649 H CB 1.712 31.508 29.762 0.058 0.000 1.722 649 H HN 0.625 nan 8.280 nan 0.000 0.543 650 D N 3.074 123.200 120.400 -0.456 0.000 2.428 650 D HA 0.319 4.981 4.640 0.037 0.000 0.221 650 D C -0.440 175.817 176.300 -0.073 0.000 1.123 650 D CA -0.282 53.659 54.000 -0.100 0.000 0.869 650 D CB 0.565 41.279 40.800 -0.143 0.000 1.032 650 D HN 0.615 nan 8.370 nan 0.000 0.506 651 A N 3.477 126.364 122.820 0.111 0.000 2.708 651 A HA 0.637 4.979 4.320 0.037 0.000 0.293 651 A C 1.305 178.960 177.584 0.117 0.000 1.303 651 A CA 0.143 52.264 52.037 0.138 0.000 0.949 651 A CB -0.684 18.416 19.000 0.168 0.000 1.121 651 A HN 0.882 nan 8.150 nan 0.000 0.542 652 G N 0.172 109.049 108.800 0.130 0.000 2.581 652 G HA2 0.075 4.057 3.960 0.037 0.000 0.291 652 G HA3 0.075 4.057 3.960 0.037 0.000 0.291 652 G C 0.610 175.549 174.900 0.064 0.000 1.277 652 G CA 0.124 45.279 45.100 0.092 0.000 0.959 652 G HN 1.876 nan 8.290 nan 0.000 0.554 653 A N -0.130 122.712 122.820 0.037 0.000 2.671 653 A HA 0.625 4.967 4.320 0.037 0.000 0.306 653 A C 0.955 178.559 177.584 0.034 0.000 1.473 653 A CA 1.374 53.427 52.037 0.026 0.000 1.155 653 A CB -0.276 18.739 19.000 0.026 0.000 1.123 653 A HN 2.234 nan 8.150 nan 0.000 0.545 654 S N 2.231 117.952 115.700 0.034 0.000 2.563 654 S HA 0.064 4.556 4.470 0.037 0.000 0.294 654 S C 1.271 175.880 174.600 0.014 0.000 1.279 654 S CA -0.274 57.946 58.200 0.034 0.000 1.069 654 S CB -0.164 63.057 63.200 0.035 0.000 0.828 654 S HN 0.559 nan 8.310 nan 0.000 0.497 655 L N 3.457 124.691 121.223 0.018 0.000 2.275 655 L HA 0.078 4.440 4.340 0.037 0.000 0.215 655 L C 1.234 178.088 176.870 -0.027 0.000 1.119 655 L CA 0.581 55.417 54.840 -0.006 0.000 0.790 655 L CB -0.365 41.700 42.059 0.010 0.000 0.919 655 L HN 0.649 nan 8.230 nan 0.000 0.443 656 N N -1.273 117.420 118.700 -0.011 0.000 2.932 656 N HA 0.112 4.874 4.740 0.037 0.000 0.242 656 N C -2.395 173.115 175.510 0.001 0.000 1.351 656 N CA -0.921 52.121 53.050 -0.014 0.000 0.785 656 N CB 1.341 39.819 38.487 -0.016 0.000 1.501 656 N HN -0.298 nan 8.380 nan 0.000 0.584 657 P HA -0.010 nan 4.420 nan 0.000 0.220 657 P C 1.065 178.369 177.300 0.006 0.000 1.148 657 P CA 1.032 64.137 63.100 0.008 0.000 0.803 657 P CB 0.395 32.095 31.700 -0.001 0.000 0.782 658 A N -0.268 122.554 122.820 0.003 0.000 1.872 658 A HA -0.107 4.235 4.320 0.037 0.000 0.214 658 A C 2.179 179.773 177.584 0.015 0.000 1.187 658 A CA 1.216 53.256 52.037 0.005 0.000 0.614 658 A CB -1.567 17.437 19.000 0.006 0.000 0.826 658 A HN 0.108 nan 8.150 nan 0.000 0.442 659 L N -0.442 120.794 121.223 0.023 0.000 2.201 659 L HA -0.163 4.199 4.340 0.037 0.000 0.212 659 L C 1.866 178.754 176.870 0.030 0.000 1.105 659 L CA 1.138 56.000 54.840 0.036 0.000 0.775 659 L CB -0.650 41.428 42.059 0.031 0.000 0.913 659 L HN 0.297 nan 8.230 nan 0.000 0.440 660 D N 0.296 120.712 120.400 0.025 0.000 2.103 660 D HA -0.121 4.541 4.640 0.037 0.000 0.199 660 D C 2.307 178.619 176.300 0.020 0.000 0.978 660 D CA 0.956 54.976 54.000 0.033 0.000 0.829 660 D CB 0.017 40.848 40.800 0.052 0.000 0.981 660 D HN 0.092 nan 8.370 nan 0.000 0.464 661 I N 1.351 121.925 120.570 0.006 0.000 2.248 661 I HA -0.184 4.008 4.170 0.037 0.000 0.248 661 I C 2.471 178.562 176.117 -0.043 0.000 1.107 661 I CA 1.256 62.539 61.300 -0.028 0.000 1.373 661 I CB -1.531 36.441 38.000 -0.047 0.000 1.055 661 I HN -0.001 nan 8.210 nan 0.000 0.418 662 G N -0.069 108.724 108.800 -0.013 0.000 2.432 662 G HA2 -0.216 3.766 3.960 0.037 0.000 0.219 662 G HA3 -0.216 3.766 3.960 0.037 0.000 0.219 662 G C 1.533 176.450 174.900 0.027 0.000 1.135 662 G CA 0.208 45.310 45.100 0.004 0.000 0.767 662 G HN 0.364 nan 8.290 nan 0.000 0.550 663 Q N -0.055 119.763 119.800 0.030 0.000 2.123 663 Q HA 0.099 4.461 4.340 0.037 0.000 0.199 663 Q C 2.702 178.715 176.000 0.022 0.000 0.966 663 Q CA 0.504 56.333 55.803 0.042 0.000 0.845 663 Q CB -0.083 28.674 28.738 0.031 0.000 0.907 663 Q HN 0.558 nan 8.270 nan 0.000 0.439 664 I N 0.938 121.495 120.570 -0.021 0.000 2.252 664 I HA -0.264 3.928 4.170 0.037 0.000 0.245 664 I C 2.102 178.239 176.117 0.035 0.000 1.102 664 I CA 1.177 62.445 61.300 -0.053 0.000 1.385 664 I CB -0.148 37.800 38.000 -0.088 0.000 1.064 664 I HN 0.212 nan 8.210 nan 0.000 0.414 665 E N 0.674 120.875 120.200 0.002 0.000 2.051 665 E HA -0.164 4.208 4.350 0.037 0.000 0.192 665 E C 2.312 179.038 176.600 0.210 0.000 0.991 665 E CA 1.285 57.720 56.400 0.058 0.000 0.799 665 E CB -0.389 29.196 29.700 -0.193 0.000 0.748 665 E HN 0.580 nan 8.360 nan 0.000 0.449 666 G N 0.850 109.728 108.800 0.130 0.000 2.422 666 G HA2 -0.169 3.813 3.960 0.037 0.000 0.218 666 G HA3 -0.169 3.813 3.960 0.037 0.000 0.218 666 G C 1.619 176.611 174.900 0.154 0.000 1.140 666 G CA 0.714 45.903 45.100 0.148 0.000 0.775 666 G HN 0.322 nan 8.290 nan 0.000 0.545 667 A N -0.103 122.806 122.820 0.148 0.000 1.930 667 A HA 0.107 4.449 4.320 0.037 0.000 0.215 667 A C 2.094 179.707 177.584 0.049 0.000 1.176 667 A CA 1.357 53.484 52.037 0.149 0.000 0.632 667 A CB -0.580 18.508 19.000 0.147 0.000 0.819 667 A HN 0.406 nan 8.150 nan 0.000 0.445 668 Y N 0.828 121.126 120.300 -0.003 0.000 2.114 668 Y HA -0.238 4.333 4.550 0.036 0.000 0.282 668 Y C 2.271 178.119 175.900 -0.087 0.000 1.165 668 Y CA 2.192 60.269 58.100 -0.038 0.000 1.148 668 Y CB -0.487 38.027 38.460 0.089 0.000 0.972 668 Y HN 0.058 nan 8.280 nan 0.000 0.504 669 V N 0.586 120.517 119.914 0.028 0.000 2.490 669 V HA -0.320 3.822 4.120 0.037 0.000 0.250 669 V C 2.355 178.336 176.094 -0.189 0.000 1.061 669 V CA 2.310 64.545 62.300 -0.108 0.000 1.064 669 V CB -0.634 31.215 31.823 0.044 0.000 0.670 669 V HN 0.512 nan 8.190 nan 0.000 0.461 670 Q N -0.497 119.222 119.800 -0.135 0.000 2.245 670 Q HA -0.058 4.304 4.340 0.037 0.000 0.201 670 Q C 2.168 177.965 176.000 -0.339 0.000 0.955 670 Q CA 1.266 57.007 55.803 -0.103 0.000 0.870 670 Q CB -0.114 28.672 28.738 0.079 0.000 0.945 670 Q HN 0.678 nan 8.270 nan 0.000 0.461 671 G N -0.056 108.285 108.800 -0.765 0.000 2.411 671 G HA2 -0.128 3.854 3.960 0.037 0.000 0.213 671 G HA3 -0.128 3.854 3.960 0.037 0.000 0.213 671 G C 1.394 176.011 174.900 -0.471 0.000 1.166 671 G CA 0.578 44.988 45.100 -1.150 0.000 0.802 671 G HN 0.412 nan 8.290 nan 0.000 0.533 672 A N 1.065 123.568 122.820 -0.529 0.000 1.933 672 A HA 0.148 4.490 4.320 0.037 0.000 0.218 672 A C 2.673 180.119 177.584 -0.229 0.000 1.175 672 A CA 2.076 53.874 52.037 -0.398 0.000 0.628 672 A CB -1.096 17.567 19.000 -0.562 0.000 0.814 672 A HN 0.505 nan 8.150 nan 0.000 0.444 673 G N -1.196 107.485 108.800 -0.199 0.000 2.491 673 G HA2 -0.345 3.637 3.960 0.037 0.000 0.218 673 G HA3 -0.345 3.637 3.960 0.037 0.000 0.218 673 G C 1.352 176.240 174.900 -0.020 0.000 1.180 673 G CA 1.253 46.286 45.100 -0.112 0.000 0.774 673 G HN 0.713 nan 8.290 nan 0.000 0.562 674 W N 1.142 122.316 121.300 -0.210 0.000 2.325 674 W HA -0.012 4.670 4.660 0.038 0.000 0.299 674 W C 1.698 178.132 176.519 -0.142 0.000 1.215 674 W CA 1.245 58.497 57.345 -0.154 0.000 1.244 674 W CB -0.232 29.142 29.460 -0.143 0.000 1.140 674 W HN 0.137 nan 8.180 nan 0.000 0.523 675 L N 0.497 121.553 121.223 -0.278 0.000 2.769 675 L HA 0.192 4.554 4.340 0.037 0.000 0.240 675 L C 1.649 178.430 176.870 -0.148 0.000 1.163 675 L CA 0.754 55.324 54.840 -0.451 0.000 0.962 675 L CB -0.485 41.265 42.059 -0.516 0.000 1.258 675 L HN 0.047 nan 8.230 nan 0.000 0.513 676 T N -5.950 108.529 114.554 -0.125 0.000 3.413 676 T HA -0.032 4.340 4.350 0.037 0.000 0.187 676 T C 1.535 176.171 174.700 -0.107 0.000 0.961 676 T CA 0.748 62.796 62.100 -0.087 0.000 1.085 676 T CB -0.243 68.570 68.868 -0.091 0.000 1.345 676 T HN 0.045 nan 8.240 nan 0.000 0.326 677 T N 0.186 114.659 114.554 -0.134 0.000 3.081 677 T HA 0.268 4.640 4.350 0.037 0.000 0.255 677 T C 0.471 175.030 174.700 -0.235 0.000 1.113 677 T CA -0.063 61.937 62.100 -0.167 0.000 1.082 677 T CB -0.495 68.262 68.868 -0.184 0.000 0.939 677 T HN 0.571 nan 8.240 nan 0.000 0.506 678 E N 1.787 121.852 120.200 -0.226 0.000 2.223 678 E HA 0.388 4.760 4.350 0.037 0.000 0.282 678 E C -0.432 176.103 176.600 -0.107 0.000 1.046 678 E CA -0.156 56.046 56.400 -0.330 0.000 0.857 678 E CB 0.867 30.455 29.700 -0.186 0.000 1.055 678 E HN 0.522 nan 8.360 nan 0.000 0.409 679 E N 4.169 124.321 120.200 -0.080 0.000 2.263 679 E HA 0.283 4.655 4.350 0.037 0.000 0.268 679 E C -1.408 175.295 176.600 0.172 0.000 0.884 679 E CA -0.536 55.903 56.400 0.064 0.000 0.766 679 E CB 1.126 30.823 29.700 -0.004 0.000 1.196 679 E HN 0.389 nan 8.360 nan 0.000 0.416 680 L N 3.760 125.064 121.223 0.135 0.000 2.322 680 L HA 0.629 4.991 4.340 0.037 0.000 0.279 680 L C -0.820 175.959 176.870 -0.151 0.000 1.036 680 L CA -0.988 53.811 54.840 -0.070 0.000 0.807 680 L CB 1.764 43.726 42.059 -0.161 0.000 1.226 680 L HN 0.362 nan 8.230 nan 0.000 0.433 681 V N 1.223 120.942 119.914 -0.325 0.000 2.686 681 V HA 0.451 4.593 4.120 0.037 0.000 0.306 681 V C -0.959 174.980 176.094 -0.259 0.000 1.065 681 V CA -0.732 61.490 62.300 -0.130 0.000 0.894 681 V CB 2.302 34.111 31.823 -0.023 0.000 1.004 681 V HN 0.616 nan 8.190 nan 0.000 0.424 682 W N 2.478 123.807 121.300 0.048 0.000 2.689 682 W HA 0.484 5.166 4.660 0.036 0.000 0.340 682 W C -0.311 176.222 176.519 0.024 0.000 1.060 682 W CA -0.437 56.926 57.345 0.029 0.000 1.218 682 W CB 2.369 31.841 29.460 0.021 0.000 1.410 682 W HN 0.795 nan 8.180 nan 0.000 0.528 683 D N -0.443 120.083 120.400 0.211 0.000 2.506 683 D HA -0.003 4.658 4.640 0.037 0.000 0.272 683 D C 1.648 177.991 176.300 0.071 0.000 1.214 683 D CA 0.012 54.086 54.000 0.123 0.000 1.067 683 D CB -0.062 40.754 40.800 0.027 0.000 1.117 683 D HN 0.507 nan 8.370 nan 0.000 0.578 684 H N -0.897 118.218 119.070 0.076 0.000 2.387 684 H HA -0.116 4.462 4.556 0.037 0.000 0.299 684 H C 1.236 176.587 175.328 0.038 0.000 1.099 684 H CA 1.267 57.345 56.048 0.050 0.000 1.315 684 H CB -1.094 28.687 29.762 0.032 0.000 1.380 684 H HN 0.316 nan 8.280 nan 0.000 0.513 685 C N 0.954 119.970 119.300 -0.473 0.000 2.573 685 C HA 0.393 4.875 4.460 0.037 0.000 0.273 685 C C 2.009 176.934 174.990 -0.109 0.000 1.346 685 C CA 0.404 59.274 59.018 -0.246 0.000 1.702 685 C CB -0.835 26.727 27.740 -0.297 0.000 1.751 685 C HN 0.946 nan 8.230 nan 0.000 0.583 686 G N 0.907 109.692 108.800 -0.024 0.000 2.176 686 G HA2 -0.230 3.752 3.960 0.037 0.000 0.253 686 G HA3 -0.230 3.752 3.960 0.037 0.000 0.253 686 G C 0.130 175.165 174.900 0.225 0.000 0.979 686 G CA -0.332 44.810 45.100 0.070 0.000 0.641 686 G HN 0.585 nan 8.290 nan 0.000 0.530 687 R N -0.387 120.185 120.500 0.120 0.000 2.490 687 R HA 0.512 4.874 4.340 0.037 0.000 0.280 687 R C 0.281 176.651 176.300 0.116 0.000 1.077 687 R CA -0.687 55.469 56.100 0.093 0.000 1.065 687 R CB 0.879 31.156 30.300 -0.038 0.000 1.003 687 R HN 0.217 nan 8.270 nan 0.000 0.470 688 L N 3.340 124.563 121.223 -0.001 0.000 2.360 688 L HA 0.063 4.425 4.340 0.037 0.000 0.276 688 L C 0.583 177.354 176.870 -0.165 0.000 1.121 688 L CA 0.462 55.130 54.840 -0.288 0.000 0.845 688 L CB 0.979 42.875 42.059 -0.272 0.000 1.143 688 L HN 0.691 nan 8.230 nan 0.000 0.452 689 M N 1.938 121.444 119.600 -0.157 0.000 2.486 689 M HA 0.124 4.626 4.480 0.037 0.000 0.264 689 M C 0.787 177.142 176.300 0.091 0.000 1.125 689 M CA 0.530 55.842 55.300 0.020 0.000 1.144 689 M CB -1.050 31.555 32.600 0.010 0.000 1.353 689 M HN 0.684 nan 8.290 nan 0.000 0.466 690 T N 0.188 114.716 114.554 -0.042 0.000 3.005 690 T HA 0.291 4.663 4.350 0.037 0.000 0.323 690 T C 0.265 174.979 174.700 0.023 0.000 1.131 690 T CA -0.537 61.558 62.100 -0.008 0.000 0.977 690 T CB -0.635 68.233 68.868 0.000 0.000 1.055 690 T HN 0.441 nan 8.240 nan 0.000 0.562 691 H N 0.994 120.033 119.070 -0.051 0.000 2.651 691 H HA 0.683 5.261 4.556 0.036 0.000 0.241 691 H C -0.498 174.850 175.328 0.033 0.000 1.225 691 H CA -0.883 55.143 56.048 -0.037 0.000 0.942 691 H CB -0.374 29.360 29.762 -0.046 0.000 1.996 691 H HN 0.734 nan 8.280 nan 0.000 0.600 692 A N 1.149 123.897 122.820 -0.120 0.000 2.586 692 A HA 0.470 4.812 4.320 0.037 0.000 0.291 692 A C -2.511 175.106 177.584 0.056 0.000 1.062 692 A CA -1.255 50.762 52.037 -0.033 0.000 0.666 692 A CB 1.338 20.235 19.000 -0.171 0.000 1.281 692 A HN 0.003 nan 8.150 nan 0.000 0.421 693 P HA -0.076 nan 4.420 nan 0.000 0.226 693 P C 1.360 178.631 177.300 -0.048 0.000 1.153 693 P CA 1.950 65.058 63.100 0.013 0.000 0.777 693 P CB 0.082 31.853 31.700 0.117 0.000 0.794 694 S N -1.692 113.988 115.700 -0.033 0.000 2.522 694 S HA -0.041 4.451 4.470 0.037 0.000 0.227 694 S C 1.537 176.098 174.600 -0.065 0.000 0.986 694 S CA 1.373 59.542 58.200 -0.052 0.000 0.929 694 S CB -1.435 61.739 63.200 -0.043 0.000 0.769 694 S HN 0.293 nan 8.310 nan 0.000 0.529 695 T N -3.465 111.051 114.554 -0.063 0.000 2.975 695 T HA 0.286 4.658 4.350 0.037 0.000 0.261 695 T C -0.193 174.490 174.700 -0.028 0.000 0.984 695 T CA -0.447 61.620 62.100 -0.054 0.000 0.911 695 T CB -0.347 68.486 68.868 -0.060 0.000 1.127 695 T HN 0.355 nan 8.240 nan 0.000 0.514 696 Y N 2.766 122.985 120.300 -0.135 0.000 2.334 696 Y HA 0.605 5.177 4.550 0.037 0.000 0.336 696 Y C -1.148 174.627 175.900 -0.209 0.000 0.960 696 Y CA -1.416 56.597 58.100 -0.145 0.000 1.164 696 Y CB 1.013 39.403 38.460 -0.117 0.000 1.155 696 Y HN -0.190 nan 8.280 nan 0.000 0.478 697 K N 8.819 128.837 120.400 -0.637 0.000 2.404 697 K HA 0.307 4.649 4.320 0.037 0.000 0.257 697 K C -0.217 176.077 176.600 -0.510 0.000 1.026 697 K CA -0.446 55.556 56.287 -0.474 0.000 0.951 697 K CB 0.524 32.841 32.500 -0.304 0.000 1.203 697 K HN 0.838 nan 8.250 nan 0.000 0.446 698 I N -0.759 119.541 120.570 -0.451 0.000 3.021 698 I HA 0.442 4.634 4.170 0.037 0.000 0.303 698 I C -1.970 174.027 176.117 -0.200 0.000 1.044 698 I CA -2.412 58.709 61.300 -0.297 0.000 1.266 698 I CB 0.251 38.107 38.000 -0.241 0.000 1.447 698 I HN 0.179 nan 8.210 nan 0.000 0.593 699 P HA 0.151 nan 4.420 nan 0.000 0.264 699 P C -0.828 176.431 177.300 -0.069 0.000 1.193 699 P CA 0.105 63.142 63.100 -0.105 0.000 0.763 699 P CB 0.724 32.367 31.700 -0.096 0.000 0.810 700 A N 2.737 125.531 122.820 -0.043 0.000 2.269 700 A HA 0.393 4.735 4.320 0.037 0.000 0.327 700 A C 0.921 178.551 177.584 0.077 0.000 1.112 700 A CA -0.560 51.492 52.037 0.025 0.000 0.865 700 A CB -0.105 18.913 19.000 0.030 0.000 1.227 700 A HN 0.553 nan 8.150 nan 0.000 0.498 701 F N 1.345 121.291 119.950 -0.006 0.000 2.063 701 F HA -0.318 4.231 4.527 0.036 0.000 0.297 701 F C 2.638 178.440 175.800 0.005 0.000 1.099 701 F CA 3.143 61.149 58.000 0.010 0.000 1.220 701 F CB 0.018 39.026 39.000 0.013 0.000 0.972 701 F HN 0.538 nan 8.300 nan 0.000 0.487 702 S N -1.134 114.741 115.700 0.293 0.000 2.607 702 S HA -0.079 4.413 4.470 0.037 0.000 0.224 702 S C 1.053 175.680 174.600 0.045 0.000 0.969 702 S CA 0.781 59.086 58.200 0.175 0.000 0.927 702 S CB -0.531 62.748 63.200 0.131 0.000 0.772 702 S HN 0.413 nan 8.310 nan 0.000 0.533 703 D N 2.104 122.504 120.400 0.001 0.000 2.336 703 D HA 0.046 4.708 4.640 0.037 0.000 0.229 703 D C 0.779 177.033 176.300 -0.077 0.000 1.061 703 D CA 0.111 54.084 54.000 -0.045 0.000 0.875 703 D CB -0.096 40.665 40.800 -0.065 0.000 0.904 703 D HN 0.727 nan 8.370 nan 0.000 0.525 704 R N 0.981 121.427 120.500 -0.089 0.000 2.643 704 R HA 0.342 4.704 4.340 0.037 0.000 0.270 704 R C -2.587 173.623 176.300 -0.149 0.000 1.061 704 R CA -1.249 54.774 56.100 -0.130 0.000 1.107 704 R CB -0.592 29.624 30.300 -0.140 0.000 0.999 704 R HN -0.228 nan 8.270 nan 0.000 0.460 705 P HA -0.016 nan 4.420 nan 0.000 0.265 705 P C -0.032 177.189 177.300 -0.133 0.000 1.187 705 P CA -0.254 62.687 63.100 -0.266 0.000 0.766 705 P CB 0.588 31.948 31.700 -0.567 0.000 0.820 706 R N 1.972 122.428 120.500 -0.073 0.000 2.075 706 R HA 0.132 4.494 4.340 0.037 0.000 0.226 706 R C 0.774 177.083 176.300 0.016 0.000 1.114 706 R CA 0.981 57.072 56.100 -0.015 0.000 0.972 706 R CB -0.402 29.890 30.300 -0.015 0.000 0.869 706 R HN 0.502 nan 8.270 nan 0.000 0.437 707 I N 0.844 121.414 120.570 -0.001 0.000 2.339 707 I HA 0.231 4.423 4.170 0.037 0.000 0.290 707 I C -0.663 175.501 176.117 0.079 0.000 0.994 707 I CA -0.295 61.029 61.300 0.040 0.000 1.191 707 I CB 1.323 39.333 38.000 0.016 0.000 1.343 707 I HN -0.102 nan 8.210 nan 0.000 0.458 708 F N 6.650 126.565 119.950 -0.059 0.000 2.552 708 F HA 0.408 4.957 4.527 0.036 0.000 0.369 708 F C -0.451 175.300 175.800 -0.082 0.000 1.112 708 F CA -1.045 56.900 58.000 -0.091 0.000 1.129 708 F CB 0.691 39.643 39.000 -0.081 0.000 1.360 708 F HN 0.473 nan 8.300 nan 0.000 0.473 709 N N 4.690 123.500 118.700 0.184 0.000 2.422 709 N HA 0.368 5.129 4.740 0.037 0.000 0.266 709 N C -0.955 174.552 175.510 -0.005 0.000 1.007 709 N CA -0.199 52.874 53.050 0.038 0.000 0.941 709 N CB 2.430 40.936 38.487 0.033 0.000 1.115 709 N HN 0.176 nan 8.380 nan 0.000 0.492 710 V N 0.890 120.755 119.914 -0.082 0.000 2.531 710 V HA 0.814 4.956 4.120 0.037 0.000 0.301 710 V C -0.190 175.885 176.094 -0.031 0.000 1.034 710 V CA -0.848 61.407 62.300 -0.075 0.000 0.865 710 V CB 1.446 33.163 31.823 -0.177 0.000 0.995 710 V HN 0.773 nan 8.190 nan 0.000 0.424 711 A N 4.978 127.812 122.820 0.022 0.000 2.469 711 A HA 0.968 5.310 4.320 0.037 0.000 0.299 711 A C -1.266 176.377 177.584 0.099 0.000 1.098 711 A CA -0.685 51.380 52.037 0.046 0.000 0.737 711 A CB 1.618 20.648 19.000 0.050 0.000 1.312 711 A HN 0.744 nan 8.150 nan 0.000 0.414 712 L N 1.091 122.374 121.223 0.099 0.000 2.331 712 L HA 0.425 4.787 4.340 0.037 0.000 0.275 712 L C -0.595 176.380 176.870 0.175 0.000 1.022 712 L CA -0.529 54.399 54.840 0.146 0.000 0.812 712 L CB 1.665 43.782 42.059 0.098 0.000 1.257 712 L HN 0.840 nan 8.230 nan 0.000 0.435 713 W N 3.988 125.294 121.300 0.010 0.000 2.308 713 W HA 0.205 4.886 4.660 0.036 0.000 0.311 713 W C -0.972 175.543 176.519 -0.008 0.000 1.088 713 W CA -0.408 56.932 57.345 -0.007 0.000 1.309 713 W CB 1.412 30.858 29.460 -0.024 0.000 1.229 713 W HN 0.476 nan 8.180 nan 0.000 0.427 714 D N 5.189 125.410 120.400 -0.298 0.000 2.485 714 D HA 0.182 4.844 4.640 0.037 0.000 0.221 714 D C -0.768 175.359 176.300 -0.288 0.000 1.112 714 D CA 0.380 54.265 54.000 -0.192 0.000 0.911 714 D CB 0.494 41.207 40.800 -0.146 0.000 1.019 714 D HN 0.368 nan 8.370 nan 0.000 0.516 715 Q N 3.170 122.884 119.800 -0.144 0.000 2.271 715 Q HA 0.332 4.694 4.340 0.037 0.000 0.268 715 Q C -2.473 173.553 176.000 0.042 0.000 1.021 715 Q CA -1.969 53.795 55.803 -0.065 0.000 0.802 715 Q CB 2.655 31.414 28.738 0.034 0.000 1.282 715 Q HN 0.257 nan 8.270 nan 0.000 0.431 716 P HA -0.062 nan 4.420 nan 0.000 0.268 716 P C -0.493 176.818 177.300 0.017 0.000 1.208 716 P CA -0.155 62.953 63.100 0.013 0.000 0.777 716 P CB 0.563 32.264 31.700 0.002 0.000 0.875 717 N N 1.656 120.340 118.700 -0.026 0.000 2.508 717 N HA 0.032 4.794 4.740 0.037 0.000 0.264 717 N C 1.134 176.610 175.510 -0.056 0.000 1.216 717 N CA 0.098 53.102 53.050 -0.076 0.000 0.943 717 N CB 0.400 38.745 38.487 -0.236 0.000 1.113 717 N HN 0.224 nan 8.380 nan 0.000 0.447 718 R N 0.753 121.236 120.500 -0.028 0.000 2.148 718 R HA 0.021 4.383 4.340 0.037 0.000 0.223 718 R C 0.000 176.282 176.300 -0.031 0.000 1.088 718 R CA 0.701 56.797 56.100 -0.008 0.000 0.985 718 R CB 0.178 30.495 30.300 0.029 0.000 0.880 718 R HN 0.624 nan 8.270 nan 0.000 0.451 719 E N 0.994 121.148 120.200 -0.076 0.000 2.345 719 E HA 0.044 4.416 4.350 0.037 0.000 0.259 719 E C -0.613 175.927 176.600 -0.101 0.000 1.117 719 E CA 0.055 56.410 56.400 -0.076 0.000 0.913 719 E CB 0.769 30.420 29.700 -0.081 0.000 1.057 719 E HN 0.114 nan 8.360 nan 0.000 0.432 720 E N 1.217 121.381 120.200 -0.061 0.000 1.924 720 E HA 0.126 4.498 4.350 0.037 0.000 0.261 720 E C -0.299 176.246 176.600 -0.092 0.000 1.088 720 E CA -0.204 56.154 56.400 -0.070 0.000 0.909 720 E CB 0.307 29.986 29.700 -0.036 0.000 1.112 720 E HN 0.365 nan 8.360 nan 0.000 0.425 721 T N -0.691 113.771 114.554 -0.152 0.000 2.948 721 T HA 0.424 4.796 4.350 0.037 0.000 0.285 721 T C 0.311 174.879 174.700 -0.221 0.000 1.019 721 T CA -0.982 61.011 62.100 -0.179 0.000 1.013 721 T CB 1.201 69.933 68.868 -0.226 0.000 1.117 721 T HN 0.259 nan 8.240 nan 0.000 0.533 722 I N 2.046 122.465 120.570 -0.252 0.000 2.742 722 I HA 0.174 4.366 4.170 0.037 0.000 0.287 722 I C -0.063 175.939 176.117 -0.192 0.000 1.186 722 I CA -0.007 61.094 61.300 -0.331 0.000 1.417 722 I CB -0.996 36.846 38.000 -0.264 0.000 1.377 722 I HN 0.772 nan 8.210 nan 0.000 0.556 723 F N 6.294 126.191 119.950 -0.088 0.000 3.099 723 F HA -0.343 4.206 4.527 0.036 0.000 0.276 723 F C 1.214 176.973 175.800 -0.068 0.000 0.914 723 F CA 0.889 58.849 58.000 -0.068 0.000 0.948 723 F CB -1.477 37.489 39.000 -0.058 0.000 0.983 723 F HN 0.692 nan 8.300 nan 0.000 0.638 724 R N -1.946 118.538 120.500 -0.026 0.000 3.776 724 R HA -0.177 4.185 4.340 0.037 0.000 0.312 724 R C 0.543 176.823 176.300 -0.034 0.000 1.181 724 R CA 0.893 56.968 56.100 -0.042 0.000 0.836 724 R CB -2.315 27.984 30.300 -0.001 0.000 1.324 724 R HN 0.568 nan 8.270 nan 0.000 0.501 725 S N -0.209 115.475 115.700 -0.025 0.000 2.686 725 S HA 0.687 5.179 4.470 0.037 0.000 0.270 725 S C 0.168 174.738 174.600 -0.050 0.000 1.194 725 S CA -0.693 57.505 58.200 -0.004 0.000 0.990 725 S CB 2.399 65.618 63.200 0.032 0.000 1.029 725 S HN 0.222 nan 8.310 nan 0.000 0.560 726 K N -0.406 120.017 120.400 0.038 0.000 2.435 726 K HA 0.680 5.022 4.320 0.037 0.000 0.251 726 K C -0.772 175.934 176.600 0.178 0.000 0.954 726 K CA -0.755 55.621 56.287 0.148 0.000 0.820 726 K CB 2.078 34.713 32.500 0.225 0.000 1.292 726 K HN 0.835 nan 8.250 nan 0.000 0.436 727 A N 1.176 124.139 122.820 0.237 0.000 2.511 727 A HA 0.151 4.493 4.320 0.037 0.000 0.242 727 A C 0.374 178.009 177.584 0.084 0.000 1.069 727 A CA -0.041 52.057 52.037 0.102 0.000 0.763 727 A CB 0.448 19.469 19.000 0.035 0.000 1.001 727 A HN 0.521 nan 8.150 nan 0.000 0.498 728 V N 3.098 123.042 119.914 0.051 0.000 3.252 728 V HA 0.273 4.415 4.120 0.037 0.000 0.320 728 V C 1.447 177.528 176.094 -0.022 0.000 1.459 728 V CA 0.995 63.333 62.300 0.063 0.000 1.095 728 V CB -0.077 31.806 31.823 0.100 0.000 0.997 728 V HN 1.075 nan 8.190 nan 0.000 0.469 729 G N 0.294 109.060 108.800 -0.058 0.000 2.404 729 G HA2 -0.133 3.849 3.960 0.037 0.000 0.214 729 G HA3 -0.133 3.849 3.960 0.037 0.000 0.214 729 G C 1.179 176.009 174.900 -0.117 0.000 1.189 729 G CA 1.171 46.229 45.100 -0.071 0.000 0.789 729 G HN 0.591 nan 8.290 nan 0.000 0.533 730 E N 0.467 120.513 120.200 -0.257 0.000 2.201 730 E HA 0.012 4.384 4.350 0.037 0.000 0.193 730 E C -0.301 175.934 176.600 -0.608 0.000 0.957 730 E CA 0.011 56.167 56.400 -0.406 0.000 0.858 730 E CB -0.126 29.256 29.700 -0.531 0.000 0.816 730 E HN 0.267 nan 8.360 nan 0.000 0.475 731 P HA -0.182 nan 4.420 nan 0.000 0.216 731 P C -1.515 175.636 177.300 -0.248 0.000 1.157 731 P CA 2.102 64.820 63.100 -0.636 0.000 0.880 731 P CB -0.989 30.613 31.700 -0.163 0.000 0.791 732 P HA -0.149 nan 4.420 nan 0.000 0.230 732 P C 1.474 178.759 177.300 -0.026 0.000 1.158 732 P CA 0.839 63.782 63.100 -0.262 0.000 0.769 732 P CB -0.519 30.897 31.700 -0.473 0.000 0.807 733 F N 1.322 121.178 119.950 -0.157 0.000 2.202 733 F HA -0.164 4.385 4.527 0.037 0.000 0.301 733 F C 1.677 177.445 175.800 -0.053 0.000 1.082 733 F CA 1.127 59.069 58.000 -0.095 0.000 1.313 733 F CB -0.586 38.336 39.000 -0.129 0.000 1.024 733 F HN -0.268 nan 8.300 nan 0.000 0.495 734 L N 0.360 121.709 121.223 0.209 0.000 2.549 734 L HA -0.121 4.240 4.340 0.037 0.000 0.229 734 L C 1.826 178.747 176.870 0.084 0.000 1.158 734 L CA 0.980 55.925 54.840 0.176 0.000 0.842 734 L CB -0.909 41.259 42.059 0.181 0.000 0.952 734 L HN 0.217 nan 8.230 nan 0.000 0.452 735 L N -0.985 120.277 121.223 0.065 0.000 2.465 735 L HA -0.036 4.326 4.340 0.037 0.000 0.224 735 L C 2.409 179.356 176.870 0.129 0.000 1.145 735 L CA 0.799 55.717 54.840 0.130 0.000 0.834 735 L CB -0.927 41.247 42.059 0.192 0.000 0.944 735 L HN 0.360 nan 8.230 nan 0.000 0.451 736 G N 0.160 108.907 108.800 -0.088 0.000 2.471 736 G HA2 -0.148 3.834 3.960 0.037 0.000 0.219 736 G HA3 -0.148 3.834 3.960 0.037 0.000 0.219 736 G C 1.573 176.413 174.900 -0.100 0.000 1.125 736 G CA 0.161 45.083 45.100 -0.297 0.000 0.775 736 G HN 0.314 nan 8.290 nan 0.000 0.548 737 I N 2.079 122.652 120.570 0.005 0.000 2.315 737 I HA -0.262 3.929 4.170 0.037 0.000 0.251 737 I C 3.034 179.224 176.117 0.121 0.000 1.125 737 I CA 1.481 62.821 61.300 0.068 0.000 1.392 737 I CB -0.114 37.948 38.000 0.104 0.000 1.065 737 I HN 0.316 nan 8.210 nan 0.000 0.424 738 S N 0.915 116.688 115.700 0.121 0.000 2.442 738 S HA -0.103 4.389 4.470 0.037 0.000 0.236 738 S C 2.123 176.793 174.600 0.117 0.000 1.007 738 S CA 0.779 59.059 58.200 0.132 0.000 0.965 738 S CB -0.391 62.891 63.200 0.137 0.000 0.773 738 S HN 0.437 nan 8.310 nan 0.000 0.504 739 A N 1.300 124.173 122.820 0.087 0.000 1.897 739 A HA 0.151 4.493 4.320 0.037 0.000 0.215 739 A C 1.884 179.501 177.584 0.055 0.000 1.181 739 A CA 1.100 53.164 52.037 0.045 0.000 0.620 739 A CB -1.036 17.934 19.000 -0.050 0.000 0.821 739 A HN 0.542 nan 8.150 nan 0.000 0.443 740 F N 0.207 120.106 119.950 -0.085 0.000 2.126 740 F HA -0.155 4.394 4.527 0.037 0.000 0.299 740 F C 1.756 177.540 175.800 -0.027 0.000 1.096 740 F CA 1.358 59.308 58.000 -0.084 0.000 1.255 740 F CB -0.101 38.825 39.000 -0.123 0.000 0.997 740 F HN 0.139 nan 8.300 nan 0.000 0.479 741 L N 0.163 121.450 121.223 0.107 0.000 2.141 741 L HA -0.050 4.312 4.340 0.037 0.000 0.209 741 L C 2.639 179.526 176.870 0.029 0.000 1.094 741 L CA 1.689 56.562 54.840 0.055 0.000 0.763 741 L CB -1.865 40.268 42.059 0.123 0.000 0.908 741 L HN 0.246 nan 8.230 nan 0.000 0.437 742 A N -1.196 121.633 122.820 0.016 0.000 1.897 742 A HA -0.128 4.214 4.320 0.037 0.000 0.215 742 A C 2.099 179.634 177.584 -0.082 0.000 1.181 742 A CA 1.027 53.061 52.037 -0.004 0.000 0.620 742 A CB -0.591 18.417 19.000 0.014 0.000 0.821 742 A HN 0.270 nan 8.150 nan 0.000 0.443 743 L N -0.110 121.029 121.223 -0.141 0.000 2.127 743 L HA -0.192 4.170 4.340 0.037 0.000 0.211 743 L C 2.327 179.044 176.870 -0.254 0.000 1.089 743 L CA 2.463 57.185 54.840 -0.196 0.000 0.757 743 L CB -1.601 40.312 42.059 -0.244 0.000 0.899 743 L HN 0.800 nan 8.230 nan 0.000 0.434 744 H N -1.284 117.552 119.070 -0.390 0.000 2.389 744 H HA -0.156 4.422 4.556 0.037 0.000 0.299 744 H C 2.000 177.194 175.328 -0.223 0.000 1.081 744 H CA 1.790 57.605 56.048 -0.387 0.000 1.345 744 H CB 0.025 29.495 29.762 -0.485 0.000 1.393 744 H HN 0.311 nan 8.280 nan 0.000 0.520 745 D N 0.031 120.272 120.400 -0.266 0.000 2.144 745 D HA -0.133 4.529 4.640 0.037 0.000 0.199 745 D C 2.220 178.386 176.300 -0.223 0.000 0.984 745 D CA 1.489 55.361 54.000 -0.213 0.000 0.834 745 D CB -0.395 40.383 40.800 -0.037 0.000 0.955 745 D HN 0.550 nan 8.370 nan 0.000 0.465 746 A N -0.457 122.253 122.820 -0.185 0.000 1.872 746 A HA -0.128 4.214 4.320 0.037 0.000 0.214 746 A C 2.625 180.108 177.584 -0.169 0.000 1.187 746 A CA 1.344 53.300 52.037 -0.134 0.000 0.614 746 A CB -1.034 17.907 19.000 -0.099 0.000 0.826 746 A HN 0.466 nan 8.150 nan 0.000 0.442 747 C N -0.684 118.475 119.300 -0.235 0.000 2.398 747 C HA -0.083 4.399 4.460 0.037 0.000 0.276 747 C C 3.208 178.052 174.990 -0.244 0.000 1.222 747 C CA 1.019 59.896 59.018 -0.235 0.000 1.746 747 C CB -1.428 26.137 27.740 -0.293 0.000 2.039 747 C HN 0.689 nan 8.230 nan 0.000 0.470 748 A N -0.149 122.455 122.820 -0.360 0.000 2.178 748 A HA 0.210 4.552 4.320 0.037 0.000 0.218 748 A C 2.101 179.598 177.584 -0.144 0.000 1.157 748 A CA 1.628 53.503 52.037 -0.270 0.000 0.689 748 A CB -0.453 18.341 19.000 -0.344 0.000 0.787 748 A HN 0.640 nan 8.150 nan 0.000 0.465 749 A N -1.897 120.846 122.820 -0.129 0.000 2.251 749 A HA 0.151 4.493 4.320 0.037 0.000 0.209 749 A C 1.672 179.221 177.584 -0.059 0.000 1.187 749 A CA 0.939 52.933 52.037 -0.072 0.000 0.823 749 A CB -0.726 18.247 19.000 -0.045 0.000 0.846 749 A HN 0.563 nan 8.150 nan 0.000 0.486 750 C N -1.044 118.214 119.300 -0.071 0.000 2.673 750 C HA 0.523 5.005 4.460 0.037 0.000 0.264 750 C C 1.444 176.403 174.990 -0.052 0.000 1.304 750 C CA 0.141 59.126 59.018 -0.056 0.000 1.727 750 C CB -1.033 26.673 27.740 -0.057 0.000 1.932 750 C HN 0.709 nan 8.230 nan 0.000 0.563 751 G N 0.135 108.898 108.800 -0.061 0.000 2.495 751 G HA2 0.463 4.445 3.960 0.037 0.000 0.294 751 G HA3 0.463 4.445 3.960 0.037 0.000 0.294 751 G C -2.756 172.081 174.900 -0.105 0.000 1.397 751 G CA -0.265 44.790 45.100 -0.075 0.000 0.790 751 G HN -0.137 nan 8.290 nan 0.000 0.486 752 P HA 0.181 nan 4.420 nan 0.000 0.245 752 P C 0.135 177.329 177.300 -0.176 0.000 1.203 752 P CA 0.286 63.253 63.100 -0.222 0.000 0.792 752 P CB 0.175 31.674 31.700 -0.336 0.000 0.997 753 H N -1.007 118.106 119.070 0.071 0.000 2.505 753 H HA 0.074 4.652 4.556 0.037 0.000 0.355 753 H C -0.065 175.375 175.328 0.186 0.000 1.179 753 H CA -0.839 55.283 56.048 0.124 0.000 1.343 753 H CB 0.427 30.245 29.762 0.093 0.000 1.501 753 H HN 0.181 nan 8.280 nan 0.000 0.569 754 W N 4.458 125.858 121.300 0.168 0.000 2.397 754 W HA 0.034 4.716 4.660 0.037 0.000 0.327 754 W C -2.073 174.484 176.519 0.063 0.000 1.421 754 W CA -1.653 55.749 57.345 0.094 0.000 1.288 754 W CB 0.504 30.014 29.460 0.083 0.000 1.312 754 W HN 0.492 nan 8.180 nan 0.000 0.559 755 P HA -0.181 nan 4.420 nan 0.000 0.221 755 P C 0.150 177.096 177.300 -0.590 0.000 1.150 755 P CA 1.552 64.388 63.100 -0.439 0.000 0.800 755 P CB 0.062 31.492 31.700 -0.450 0.000 0.787 756 D N -2.300 117.348 120.400 -1.255 0.000 2.701 756 D HA -0.176 4.486 4.640 0.037 0.000 0.235 756 D C -0.428 175.657 176.300 -0.359 0.000 1.155 756 D CA 0.147 53.665 54.000 -0.803 0.000 0.649 756 D CB -1.266 39.380 40.800 -0.257 0.000 1.050 756 D HN 0.004 nan 8.370 nan 0.000 0.425 757 L N 0.841 121.824 121.223 -0.401 0.000 2.513 757 L HA 0.140 4.502 4.340 0.037 0.000 0.272 757 L C 0.355 177.258 176.870 0.055 0.000 1.187 757 L CA 0.648 55.370 54.840 -0.196 0.000 0.895 757 L CB 0.599 42.465 42.059 -0.322 0.000 1.147 757 L HN 0.057 nan 8.230 nan 0.000 0.483 758 Q N 4.037 123.929 119.800 0.153 0.000 2.212 758 Q HA 0.690 5.052 4.340 0.037 0.000 0.238 758 Q C -0.617 175.594 176.000 0.351 0.000 0.955 758 Q CA -0.437 55.547 55.803 0.301 0.000 0.906 758 Q CB 1.460 30.303 28.738 0.175 0.000 1.215 758 Q HN 0.815 nan 8.270 nan 0.000 0.478 759 A N 2.116 125.050 122.820 0.190 0.000 2.330 759 A HA 0.671 5.013 4.320 0.037 0.000 0.327 759 A C -2.330 175.187 177.584 -0.112 0.000 1.155 759 A CA -1.590 50.408 52.037 -0.065 0.000 0.803 759 A CB 0.688 19.381 19.000 -0.511 0.000 1.208 759 A HN 0.393 nan 8.150 nan 0.000 0.477 760 P HA 0.314 nan 4.420 nan 0.000 0.280 760 P C -0.243 177.060 177.300 0.006 0.000 1.244 760 P CA -0.022 63.008 63.100 -0.117 0.000 0.784 760 P CB 1.307 32.942 31.700 -0.108 0.000 0.913 761 A N 3.058 125.925 122.820 0.078 0.000 3.037 761 A HA 0.325 4.667 4.320 0.037 0.000 0.272 761 A C 1.021 178.596 177.584 -0.014 0.000 1.723 761 A CA -0.174 51.902 52.037 0.066 0.000 1.413 761 A CB -1.377 17.668 19.000 0.073 0.000 1.112 761 A HN 0.604 nan 8.150 nan 0.000 0.606 762 T N -1.121 113.418 114.554 -0.026 0.000 2.726 762 T HA 0.305 4.676 4.350 0.037 0.000 0.294 762 T C -1.568 173.106 174.700 -0.043 0.000 1.013 762 T CA -1.103 60.970 62.100 -0.045 0.000 0.996 762 T CB 0.266 69.109 68.868 -0.042 0.000 1.016 762 T HN 0.192 nan 8.240 nan 0.000 0.529 763 P HA -0.069 nan 4.420 nan 0.000 0.216 763 P C 1.478 178.756 177.300 -0.036 0.000 1.150 763 P CA 1.169 64.243 63.100 -0.043 0.000 0.837 763 P CB 0.009 31.684 31.700 -0.042 0.000 0.786 764 E N 0.074 120.256 120.200 -0.030 0.000 2.085 764 E HA -0.204 4.168 4.350 0.037 0.000 0.194 764 E C 1.943 178.529 176.600 -0.023 0.000 0.994 764 E CA 1.472 57.859 56.400 -0.022 0.000 0.801 764 E CB -0.679 29.013 29.700 -0.014 0.000 0.743 764 E HN 0.083 nan 8.360 nan 0.000 0.453 765 A N 0.436 123.243 122.820 -0.021 0.000 1.898 765 A HA -0.112 4.230 4.320 0.037 0.000 0.216 765 A C 2.435 179.993 177.584 -0.044 0.000 1.181 765 A CA 1.424 53.450 52.037 -0.019 0.000 0.620 765 A CB -0.669 18.332 19.000 0.001 0.000 0.819 765 A HN 0.235 nan 8.150 nan 0.000 0.442 766 V N -0.228 119.652 119.914 -0.057 0.000 2.490 766 V HA -0.228 3.914 4.120 0.037 0.000 0.250 766 V C 2.473 178.522 176.094 -0.076 0.000 1.061 766 V CA 1.921 64.171 62.300 -0.084 0.000 1.064 766 V CB -0.746 31.026 31.823 -0.085 0.000 0.670 766 V HN 0.588 nan 8.190 nan 0.000 0.461 767 L N 0.879 122.069 121.223 -0.054 0.000 2.072 767 L HA 0.046 4.408 4.340 0.037 0.000 0.205 767 L C 2.440 179.283 176.870 -0.045 0.000 1.079 767 L CA 2.197 57.010 54.840 -0.046 0.000 0.752 767 L CB -0.917 41.122 42.059 -0.034 0.000 0.906 767 L HN 0.195 nan 8.230 nan 0.000 0.436 768 A N -0.538 122.258 122.820 -0.041 0.000 1.972 768 A HA -0.060 4.282 4.320 0.037 0.000 0.219 768 A C 2.390 179.941 177.584 -0.055 0.000 1.169 768 A CA 1.634 53.649 52.037 -0.036 0.000 0.635 768 A CB -0.966 18.020 19.000 -0.024 0.000 0.810 768 A HN 0.556 nan 8.150 nan 0.000 0.446 769 A N -0.840 121.931 122.820 -0.082 0.000 1.930 769 A HA 0.130 4.472 4.320 0.037 0.000 0.215 769 A C 2.148 179.663 177.584 -0.114 0.000 1.176 769 A CA 1.322 53.284 52.037 -0.124 0.000 0.632 769 A CB -0.707 18.188 19.000 -0.175 0.000 0.819 769 A HN 0.315 nan 8.150 nan 0.000 0.445 770 V N 0.485 120.342 119.914 -0.095 0.000 2.392 770 V HA -0.264 3.878 4.120 0.037 0.000 0.249 770 V C 2.645 178.711 176.094 -0.048 0.000 1.059 770 V CA 2.181 64.434 62.300 -0.078 0.000 1.051 770 V CB -0.736 31.049 31.823 -0.064 0.000 0.658 770 V HN 0.523 nan 8.190 nan 0.000 0.455 771 R N -0.573 119.905 120.500 -0.037 0.000 2.119 771 R HA -0.023 4.339 4.340 0.037 0.000 0.222 771 R C 2.454 178.755 176.300 0.001 0.000 1.088 771 R CA 0.794 56.885 56.100 -0.015 0.000 0.984 771 R CB -0.284 30.007 30.300 -0.015 0.000 0.884 771 R HN 0.462 nan 8.270 nan 0.000 0.447 772 R N 0.609 121.102 120.500 -0.012 0.000 2.075 772 R HA -0.039 4.323 4.340 0.037 0.000 0.232 772 R C 2.302 178.645 176.300 0.071 0.000 1.126 772 R CA 1.374 57.478 56.100 0.007 0.000 0.963 772 R CB -0.271 30.014 30.300 -0.025 0.000 0.858 772 R HN 0.166 nan 8.270 nan 0.000 0.435 773 A N 0.936 123.776 122.820 0.033 0.000 1.933 773 A HA -0.172 4.170 4.320 0.037 0.000 0.218 773 A C 1.714 179.354 177.584 0.093 0.000 1.175 773 A CA 1.315 53.388 52.037 0.060 0.000 0.628 773 A CB -0.219 18.758 19.000 -0.039 0.000 0.814 773 A HN 0.305 nan 8.150 nan 0.000 0.444 774 E N -1.813 118.426 120.200 0.065 0.000 2.435 774 E HA 0.202 4.574 4.350 0.037 0.000 0.195 774 E C 1.267 177.942 176.600 0.124 0.000 1.029 774 E CA 0.314 56.747 56.400 0.055 0.000 0.865 774 E CB -0.096 29.613 29.700 0.016 0.000 0.833 774 E HN 0.739 nan 8.360 nan 0.000 0.510 775 G N 1.806 110.726 108.800 0.201 0.000 2.184 775 G HA2 -0.356 3.626 3.960 0.037 0.000 0.264 775 G HA3 -0.356 3.626 3.960 0.037 0.000 0.264 775 G C 0.769 175.707 174.900 0.064 0.000 0.975 775 G CA 0.278 45.493 45.100 0.190 0.000 0.642 775 G HN 0.230 nan 8.290 nan 0.000 0.536 776 R N 0.643 121.169 120.500 0.044 0.000 2.535 776 R HA 0.484 4.846 4.340 0.037 0.000 0.233 776 R C 1.258 177.562 176.300 0.006 0.000 1.202 776 R CA 0.902 57.013 56.100 0.018 0.000 1.205 776 R CB -0.635 29.671 30.300 0.011 0.000 1.153 776 R HN 1.770 nan 8.270 nan 0.000 0.512 777 A N 0.000 122.819 122.820 -0.001 0.000 2.254 777 A HA 0.000 4.342 4.320 0.037 0.000 0.244 777 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 777 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486