REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w55_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK QSQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.488 174.600 -0.187 0.000 1.055 2 S CA 0.000 58.114 58.200 -0.143 0.000 1.107 2 S CB 0.000 63.120 63.200 -0.133 0.000 0.593 3 V N 3.003 122.735 119.914 -0.304 0.000 2.617 3 V HA 0.377 4.517 4.120 0.034 0.000 0.304 3 V C 1.545 177.497 176.094 -0.237 0.000 1.040 3 V CA 1.889 63.965 62.300 -0.372 0.000 1.149 3 V CB 0.187 31.528 31.823 -0.804 0.000 0.914 3 V HN 1.004 nan 8.190 nan 0.000 0.487 4 G N 3.605 112.306 108.800 -0.165 0.000 2.175 4 G HA2 -0.181 3.799 3.960 0.034 0.000 0.244 4 G HA3 -0.181 3.799 3.960 0.034 0.000 0.244 4 G C 0.162 175.016 174.900 -0.076 0.000 0.982 4 G CA -0.168 44.872 45.100 -0.100 0.000 0.641 4 G HN 0.534 nan 8.290 nan 0.000 0.527 5 K N 0.762 121.112 120.400 -0.084 0.000 2.118 5 K HA 0.462 4.802 4.320 0.034 0.000 0.267 5 K C -2.376 174.193 176.600 -0.051 0.000 0.991 5 K CA -2.012 54.237 56.287 -0.063 0.000 0.916 5 K CB 1.864 34.324 32.500 -0.066 0.000 1.041 5 K HN 0.055 nan 8.250 nan 0.000 0.455 6 P HA 0.187 nan 4.420 nan 0.000 0.214 6 P C -0.270 177.015 177.300 -0.026 0.000 1.826 6 P CA -0.097 62.985 63.100 -0.029 0.000 0.977 6 P CB -0.065 31.621 31.700 -0.024 0.000 1.930 7 L N 2.458 123.661 121.223 -0.034 0.000 2.439 7 L HA 0.418 4.778 4.340 0.034 0.000 0.261 7 L C -1.597 175.261 176.870 -0.020 0.000 1.153 7 L CA -2.092 52.729 54.840 -0.032 0.000 0.808 7 L CB 0.212 42.243 42.059 -0.047 0.000 1.126 7 L HN 0.055 nan 8.230 nan 0.000 0.460 8 P HA 0.128 nan 4.420 nan 0.000 0.281 8 P C -0.951 176.352 177.300 0.005 0.000 1.264 8 P CA -0.505 62.600 63.100 0.007 0.000 0.824 8 P CB 0.560 32.263 31.700 0.006 0.000 1.092 9 H N 1.003 120.037 119.070 -0.060 0.000 3.038 9 H HA -0.081 4.494 4.556 0.032 0.000 0.338 9 H C 1.589 176.846 175.328 -0.118 0.000 1.041 9 H CA 0.996 56.991 56.048 -0.087 0.000 1.394 9 H CB 0.317 30.010 29.762 -0.115 0.000 1.357 9 H HN 0.453 nan 8.280 nan 0.000 0.600 10 D N 1.803 121.764 120.400 -0.731 0.000 2.357 10 D HA -0.148 4.512 4.640 0.034 0.000 0.216 10 D C 0.211 176.373 176.300 -0.230 0.000 0.973 10 D CA 1.394 55.162 54.000 -0.388 0.000 0.912 10 D CB 0.110 40.729 40.800 -0.302 0.000 0.900 10 D HN 0.403 nan 8.370 nan 0.000 0.501 11 S N -0.838 114.735 115.700 -0.211 0.000 2.960 11 S HA 0.447 4.937 4.470 0.034 0.000 0.256 11 S C 1.520 175.959 174.600 -0.269 0.000 1.017 11 S CA 0.004 58.114 58.200 -0.150 0.000 1.144 11 S CB 1.049 64.240 63.200 -0.014 0.000 1.109 11 S HN 0.410 nan 8.310 nan 0.000 0.638 12 A N 2.630 125.327 122.820 -0.206 0.000 1.971 12 A HA -0.229 4.111 4.320 0.034 0.000 0.222 12 A C 2.078 179.680 177.584 0.030 0.000 1.182 12 A CA 1.943 53.922 52.037 -0.096 0.000 0.649 12 A CB -0.475 18.524 19.000 -0.002 0.000 0.818 12 A HN 0.452 nan 8.150 nan 0.000 0.458 13 R N -1.024 119.490 120.500 0.023 0.000 2.055 13 R HA 0.064 4.424 4.340 0.034 0.000 0.226 13 R C 2.425 178.777 176.300 0.086 0.000 1.135 13 R CA 1.118 57.249 56.100 0.052 0.000 0.959 13 R CB -0.385 29.932 30.300 0.029 0.000 0.854 13 R HN 0.434 nan 8.270 nan 0.000 0.431 14 A N 0.392 123.263 122.820 0.084 0.000 2.024 14 A HA -0.204 4.136 4.320 0.034 0.000 0.220 14 A C 1.783 179.497 177.584 0.218 0.000 1.164 14 A CA 1.431 53.540 52.037 0.119 0.000 0.643 14 A CB -0.832 18.225 19.000 0.096 0.000 0.806 14 A HN 0.516 nan 8.150 nan 0.000 0.451 15 H N -1.966 117.157 119.070 0.089 0.000 2.270 15 H HA -0.081 4.494 4.556 0.032 0.000 0.299 15 H C 2.066 177.449 175.328 0.092 0.000 1.077 15 H CA 1.357 57.470 56.048 0.108 0.000 1.294 15 H CB -0.035 29.789 29.762 0.104 0.000 1.371 15 H HN 0.311 nan 8.280 nan 0.000 0.491 16 V N 1.387 121.434 119.914 0.222 0.000 3.141 16 V HA -0.120 4.020 4.120 0.034 0.000 0.265 16 V C 1.817 177.971 176.094 0.099 0.000 1.126 16 V CA 1.974 64.357 62.300 0.137 0.000 1.141 16 V CB -0.232 31.658 31.823 0.112 0.000 0.743 16 V HN 0.613 nan 8.190 nan 0.000 0.492 17 T N -4.057 110.558 114.554 0.100 0.000 3.054 17 T HA 0.367 4.737 4.350 0.034 0.000 0.255 17 T C 1.507 176.251 174.700 0.072 0.000 1.035 17 T CA 0.666 62.810 62.100 0.074 0.000 0.941 17 T CB 0.786 69.691 68.868 0.061 0.000 1.026 17 T HN 0.807 nan 8.240 nan 0.000 0.533 18 G N 2.526 111.381 108.800 0.091 0.000 2.199 18 G HA2 -0.364 3.616 3.960 0.034 0.000 0.254 18 G HA3 -0.364 3.616 3.960 0.034 0.000 0.254 18 G C 0.955 175.908 174.900 0.090 0.000 0.982 18 G CA 0.440 45.592 45.100 0.086 0.000 0.632 18 G HN 0.710 nan 8.290 nan 0.000 0.529 19 Q N 0.271 120.120 119.800 0.081 0.000 2.451 19 Q HA 0.556 4.916 4.340 0.034 0.000 0.206 19 Q C 1.298 177.332 176.000 0.057 0.000 0.947 19 Q CA 0.766 56.606 55.803 0.061 0.000 0.937 19 Q CB 0.037 28.803 28.738 0.046 0.000 1.025 19 Q HN 1.290 nan 8.270 nan 0.000 0.511 20 A N 2.509 125.382 122.820 0.087 0.000 2.492 20 A HA 0.245 4.585 4.320 0.034 0.000 0.254 20 A C -0.279 177.284 177.584 -0.034 0.000 1.091 20 A CA -0.491 51.560 52.037 0.023 0.000 0.768 20 A CB -0.033 19.024 19.000 0.094 0.000 1.028 20 A HN 0.499 nan 8.150 nan 0.000 0.498 21 R N 2.343 122.751 120.500 -0.153 0.000 2.393 21 R HA 0.645 5.005 4.340 0.034 0.000 0.315 21 R C -1.536 174.637 176.300 -0.212 0.000 0.952 21 R CA -0.577 55.480 56.100 -0.071 0.000 0.842 21 R CB 0.712 30.994 30.300 -0.030 0.000 1.163 21 R HN 0.555 nan 8.270 nan 0.000 0.450 22 Y N 1.319 121.609 120.300 -0.018 0.000 2.565 22 Y HA 0.234 4.805 4.550 0.036 0.000 0.325 22 Y C 1.631 177.510 175.900 -0.036 0.000 1.221 22 Y CA -1.219 56.866 58.100 -0.024 0.000 1.316 22 Y CB 0.535 38.973 38.460 -0.037 0.000 1.404 22 Y HN 0.497 nan 8.280 nan 0.000 0.527 23 L N 0.593 121.892 121.223 0.127 0.000 1.997 23 L HA -0.273 4.087 4.340 0.034 0.000 0.216 23 L C 1.701 178.583 176.870 0.018 0.000 1.074 23 L CA 2.443 57.308 54.840 0.042 0.000 0.763 23 L CB -0.369 41.705 42.059 0.024 0.000 0.890 23 L HN 0.845 nan 8.230 nan 0.000 0.434 24 D N -1.076 119.333 120.400 0.015 0.000 2.264 24 D HA -0.191 4.469 4.640 0.034 0.000 0.208 24 D C 1.577 177.874 176.300 -0.005 0.000 0.966 24 D CA 0.996 54.985 54.000 -0.019 0.000 0.864 24 D CB 0.028 40.790 40.800 -0.064 0.000 0.933 24 D HN 0.444 nan 8.370 nan 0.000 0.499 25 D N -0.327 120.094 120.400 0.035 0.000 2.219 25 D HA -0.031 4.629 4.640 0.034 0.000 0.205 25 D C 0.505 176.809 176.300 0.007 0.000 0.970 25 D CA 0.268 54.290 54.000 0.037 0.000 0.851 25 D CB -0.074 40.783 40.800 0.095 0.000 0.943 25 D HN 0.308 nan 8.370 nan 0.000 0.488 26 L N 2.029 123.245 121.223 -0.013 0.000 2.453 26 L HA 0.128 4.488 4.340 0.034 0.000 0.272 26 L C -1.815 175.028 176.870 -0.044 0.000 1.182 26 L CA -1.402 53.407 54.840 -0.051 0.000 0.858 26 L CB 0.071 42.066 42.059 -0.108 0.000 1.120 26 L HN -0.145 nan 8.230 nan 0.000 0.474 27 P HA 0.249 nan 4.420 nan 0.000 0.272 27 P C -1.000 176.275 177.300 -0.042 0.000 1.230 27 P CA -0.536 62.546 63.100 -0.031 0.000 0.788 27 P CB 0.791 32.474 31.700 -0.029 0.000 0.949 28 C N -0.502 118.786 119.300 -0.019 0.000 3.259 28 C HA 0.601 5.081 4.460 0.034 0.000 0.344 28 C C -2.838 172.149 174.990 -0.004 0.000 1.401 28 C CA -1.789 57.219 59.018 -0.018 0.000 1.219 28 C CB -0.174 27.556 27.740 -0.017 0.000 1.521 28 C HN 0.375 nan 8.230 nan 0.000 0.455 29 P HA 0.354 nan 4.420 nan 0.000 0.268 29 P C 0.830 178.129 177.300 -0.002 0.000 1.208 29 P CA 0.597 63.694 63.100 -0.004 0.000 0.777 29 P CB 0.429 32.125 31.700 -0.007 0.000 0.875 30 A N 2.606 125.427 122.820 0.001 0.000 2.131 30 A HA -0.190 4.150 4.320 0.034 0.000 0.220 30 A C 1.424 179.007 177.584 -0.002 0.000 1.158 30 A CA 1.671 53.712 52.037 0.006 0.000 0.665 30 A CB -0.951 18.054 19.000 0.007 0.000 0.795 30 A HN 0.734 nan 8.150 nan 0.000 0.460 31 N N -1.068 117.623 118.700 -0.014 0.000 2.230 31 N HA 0.011 4.771 4.740 0.034 0.000 0.202 31 N C -0.398 175.074 175.510 -0.062 0.000 1.119 31 N CA 0.378 53.413 53.050 -0.026 0.000 0.851 31 N CB -0.967 37.510 38.487 -0.016 0.000 0.990 31 N HN 0.049 nan 8.380 nan 0.000 0.497 32 T N 2.635 117.140 114.554 -0.081 0.000 2.792 32 T HA 0.099 4.469 4.350 0.034 0.000 0.286 32 T C 0.503 174.981 174.700 -0.369 0.000 0.970 32 T CA 0.082 62.086 62.100 -0.160 0.000 1.187 32 T CB 0.109 68.912 68.868 -0.108 0.000 0.915 32 T HN 0.162 nan 8.240 nan 0.000 0.529 33 L N 4.552 125.587 121.223 -0.313 0.000 2.375 33 L HA 0.459 4.819 4.340 0.034 0.000 0.271 33 L C 0.694 177.288 176.870 -0.460 0.000 1.107 33 L CA -1.023 53.610 54.840 -0.346 0.000 0.806 33 L CB 0.500 42.493 42.059 -0.110 0.000 1.146 33 L HN 0.586 nan 8.230 nan 0.000 0.447 34 H N 2.892 121.986 119.070 0.040 0.000 2.492 34 H HA 0.596 5.170 4.556 0.031 0.000 0.345 34 H C -0.589 174.739 175.328 -0.001 0.000 1.136 34 H CA -0.647 55.426 56.048 0.041 0.000 1.202 34 H CB 2.012 31.835 29.762 0.103 0.000 1.524 34 H HN 0.372 nan 8.280 nan 0.000 0.506 35 L N 1.093 122.363 121.223 0.079 0.000 2.330 35 L HA 0.811 5.171 4.340 0.034 0.000 0.271 35 L C 0.075 176.875 176.870 -0.117 0.000 1.013 35 L CA -1.135 53.686 54.840 -0.031 0.000 0.816 35 L CB 1.787 43.789 42.059 -0.096 0.000 1.287 35 L HN 0.588 nan 8.230 nan 0.000 0.435 36 A N 1.373 124.110 122.820 -0.139 0.000 2.486 36 A HA 0.713 5.053 4.320 0.034 0.000 0.300 36 A C -1.278 176.221 177.584 -0.142 0.000 1.048 36 A CA -0.418 51.522 52.037 -0.162 0.000 0.696 36 A CB 1.045 19.962 19.000 -0.139 0.000 1.278 36 A HN 0.555 nan 8.150 nan 0.000 0.405 37 F N 1.148 121.051 119.950 -0.079 0.000 2.384 37 F HA 0.485 5.034 4.527 0.037 0.000 0.338 37 F C 1.385 176.926 175.800 -0.432 0.000 1.103 37 F CA -0.181 57.697 58.000 -0.203 0.000 1.157 37 F CB 1.659 40.600 39.000 -0.098 0.000 1.167 37 F HN 0.685 nan 8.300 nan 0.000 0.529 38 G N 4.672 113.068 108.800 -0.674 0.000 2.320 38 G HA2 0.530 4.511 3.960 0.034 0.000 0.300 38 G HA3 0.530 4.511 3.960 0.034 0.000 0.300 38 G C -0.971 173.676 174.900 -0.421 0.000 1.126 38 G CA -0.595 43.906 45.100 -0.998 0.000 0.896 38 G HN 0.495 nan 8.290 nan 0.000 0.436 39 L N 2.079 123.177 121.223 -0.208 0.000 2.309 39 L HA 0.379 4.739 4.340 0.034 0.000 0.282 39 L C 0.995 177.792 176.870 -0.123 0.000 1.036 39 L CA -0.821 53.906 54.840 -0.189 0.000 0.806 39 L CB 1.813 43.760 42.059 -0.188 0.000 1.220 39 L HN 0.550 nan 8.230 nan 0.000 0.429 40 S N 0.677 116.264 115.700 -0.189 0.000 2.537 40 S HA 0.036 4.526 4.470 0.034 0.000 0.286 40 S C 1.103 175.554 174.600 -0.249 0.000 1.299 40 S CA -0.096 58.021 58.200 -0.139 0.000 1.067 40 S CB 0.585 63.629 63.200 -0.260 0.000 0.864 40 S HN 0.780 nan 8.310 nan 0.000 0.494 41 T N 1.035 115.438 114.554 -0.252 0.000 3.086 41 T HA 0.318 4.688 4.350 0.034 0.000 0.250 41 T C 0.177 174.610 174.700 -0.446 0.000 1.074 41 T CA -0.272 61.655 62.100 -0.289 0.000 0.988 41 T CB -0.021 68.753 68.868 -0.156 0.000 0.988 41 T HN 0.551 nan 8.240 nan 0.000 0.530 42 E N 0.167 119.959 120.200 -0.680 0.000 2.195 42 E HA 0.750 5.120 4.350 0.034 0.000 0.271 42 E C 0.677 177.046 176.600 -0.384 0.000 0.923 42 E CA -0.301 55.734 56.400 -0.609 0.000 0.790 42 E CB 1.600 30.734 29.700 -0.944 0.000 1.155 42 E HN 0.095 nan 8.360 nan 0.000 0.402 43 A N 2.673 125.344 122.820 -0.248 0.000 2.021 43 A HA 0.115 4.455 4.320 0.034 0.000 0.216 43 A C 0.719 178.237 177.584 -0.110 0.000 1.163 43 A CA 0.889 52.841 52.037 -0.142 0.000 0.676 43 A CB 0.211 19.163 19.000 -0.079 0.000 0.818 43 A HN 0.357 nan 8.150 nan 0.000 0.453 44 S N -1.249 114.369 115.700 -0.138 0.000 2.417 44 S HA 0.584 5.074 4.470 0.034 0.000 0.189 44 S C -0.805 173.724 174.600 -0.118 0.000 1.005 44 S CA 0.257 58.390 58.200 -0.113 0.000 1.116 44 S CB -0.123 63.051 63.200 -0.042 0.000 1.343 44 S HN 1.387 nan 8.310 nan 0.000 0.406 45 A N 2.613 125.349 122.820 -0.139 0.000 2.587 45 A HA 0.951 5.291 4.320 0.034 0.000 0.293 45 A C -0.311 177.248 177.584 -0.040 0.000 1.087 45 A CA -0.351 51.651 52.037 -0.059 0.000 0.692 45 A CB 1.394 20.388 19.000 -0.010 0.000 1.291 45 A HN 1.582 nan 8.150 nan 0.000 0.407 46 A N 1.220 124.039 122.820 -0.001 0.000 2.276 46 A HA 0.609 4.949 4.320 0.034 0.000 0.300 46 A C -0.163 177.435 177.584 0.023 0.000 1.235 46 A CA -0.355 51.681 52.037 -0.002 0.000 0.867 46 A CB -0.480 18.517 19.000 -0.006 0.000 1.137 46 A HN 0.728 nan 8.150 nan 0.000 0.527 47 I N 3.405 123.976 120.570 0.001 0.000 2.483 47 I HA 0.079 4.269 4.170 0.034 0.000 0.291 47 I C 1.296 177.366 176.117 -0.080 0.000 1.112 47 I CA 0.270 61.526 61.300 -0.073 0.000 1.350 47 I CB 0.401 38.345 38.000 -0.093 0.000 1.419 47 I HN 0.782 nan 8.210 nan 0.000 0.523 48 T N 0.901 115.399 114.554 -0.093 0.000 3.054 48 T HA 0.310 4.681 4.350 0.034 0.000 0.255 48 T C 0.658 175.303 174.700 -0.091 0.000 1.035 48 T CA -0.161 61.897 62.100 -0.070 0.000 0.941 48 T CB 0.431 69.272 68.868 -0.044 0.000 1.026 48 T HN 0.663 nan 8.240 nan 0.000 0.533 49 G N 1.051 109.766 108.800 -0.142 0.000 2.741 49 G HA2 0.596 4.577 3.960 0.034 0.000 0.293 49 G HA3 0.596 4.577 3.960 0.034 0.000 0.293 49 G C -1.978 172.806 174.900 -0.192 0.000 1.457 49 G CA -0.746 44.267 45.100 -0.145 0.000 1.098 49 G HN 0.325 nan 8.290 nan 0.000 0.536 50 L N 1.987 123.115 121.223 -0.158 0.000 2.529 50 L HA 0.558 4.919 4.340 0.034 0.000 0.260 50 L C -1.524 175.246 176.870 -0.167 0.000 0.997 50 L CA -0.573 54.161 54.840 -0.178 0.000 0.885 50 L CB 1.928 43.896 42.059 -0.153 0.000 1.185 50 L HN 0.446 nan 8.230 nan 0.000 0.442 51 D N 3.957 124.255 120.400 -0.170 0.000 2.454 51 D HA 0.334 4.994 4.640 0.034 0.000 0.225 51 D C 0.183 176.363 176.300 -0.200 0.000 1.081 51 D CA -0.071 53.836 54.000 -0.155 0.000 0.864 51 D CB 0.927 41.657 40.800 -0.115 0.000 1.040 51 D HN 0.577 nan 8.370 nan 0.000 0.517 52 L N 3.227 124.308 121.223 -0.237 0.000 2.783 52 L HA 0.252 4.613 4.340 0.034 0.000 0.236 52 L C 1.641 178.395 176.870 -0.193 0.000 1.225 52 L CA -0.167 54.488 54.840 -0.307 0.000 1.026 52 L CB 0.122 41.930 42.059 -0.418 0.000 1.314 52 L HN 0.346 nan 8.230 nan 0.000 0.489 53 E N 1.681 121.798 120.200 -0.139 0.000 2.047 53 E HA -0.125 4.245 4.350 0.034 0.000 0.191 53 E C -0.671 175.883 176.600 -0.077 0.000 0.987 53 E CA 1.454 57.796 56.400 -0.097 0.000 0.799 53 E CB -0.578 29.075 29.700 -0.078 0.000 0.752 53 E HN 0.246 nan 8.360 nan 0.000 0.449 54 P HA -0.088 nan 4.420 nan 0.000 0.221 54 P C 1.171 178.451 177.300 -0.034 0.000 1.150 54 P CA 0.793 63.867 63.100 -0.044 0.000 0.800 54 P CB 0.116 31.795 31.700 -0.035 0.000 0.787 55 V N 0.173 120.052 119.914 -0.058 0.000 2.270 55 V HA -0.208 3.933 4.120 0.034 0.000 0.245 55 V C 2.646 178.731 176.094 -0.016 0.000 1.043 55 V CA 1.815 64.099 62.300 -0.026 0.000 1.014 55 V CB -1.057 30.710 31.823 -0.093 0.000 0.645 55 V HN 0.033 nan 8.190 nan 0.000 0.447 56 R N -0.032 120.437 120.500 -0.053 0.000 2.096 56 R HA -0.169 4.191 4.340 0.034 0.000 0.235 56 R C 2.231 178.514 176.300 -0.029 0.000 1.127 56 R CA 1.682 57.755 56.100 -0.046 0.000 0.968 56 R CB -0.106 30.149 30.300 -0.074 0.000 0.861 56 R HN 0.628 nan 8.270 nan 0.000 0.440 57 E N 0.013 120.196 120.200 -0.029 0.000 2.358 57 E HA -0.036 4.335 4.350 0.034 0.000 0.195 57 E C 0.389 176.986 176.600 -0.006 0.000 1.010 57 E CA 0.077 56.466 56.400 -0.019 0.000 0.856 57 E CB 0.213 29.900 29.700 -0.022 0.000 0.795 57 E HN 0.084 nan 8.360 nan 0.000 0.504 58 S N 1.730 117.431 115.700 0.002 0.000 2.558 58 S HA 0.045 4.535 4.470 0.034 0.000 0.288 58 S C -2.347 172.262 174.600 0.016 0.000 1.318 58 S CA -1.456 56.752 58.200 0.014 0.000 1.056 58 S CB 0.466 63.682 63.200 0.027 0.000 0.853 58 S HN -0.163 nan 8.310 nan 0.000 0.505 59 P HA 0.392 nan 4.420 nan 0.000 0.277 59 P C 0.949 178.265 177.300 0.026 0.000 1.240 59 P CA 0.343 63.454 63.100 0.018 0.000 0.798 59 P CB 0.535 32.246 31.700 0.018 0.000 0.979 60 G N 0.335 109.151 108.800 0.026 0.000 2.284 60 G HA2 -0.243 3.737 3.960 0.034 0.000 0.247 60 G HA3 -0.243 3.737 3.960 0.034 0.000 0.247 60 G C 0.050 174.970 174.900 0.035 0.000 1.012 60 G CA 0.045 45.165 45.100 0.034 0.000 0.618 60 G HN 0.558 nan 8.290 nan 0.000 0.521 61 V N 2.867 122.800 119.914 0.031 0.000 2.485 61 V HA 0.212 4.352 4.120 0.034 0.000 0.287 61 V C 1.672 177.777 176.094 0.019 0.000 1.022 61 V CA 0.566 62.886 62.300 0.033 0.000 1.067 61 V CB 1.065 32.906 31.823 0.030 0.000 0.967 61 V HN 0.316 nan 8.190 nan 0.000 0.479 62 I N 3.420 124.005 120.570 0.026 0.000 3.339 62 I HA 0.364 4.554 4.170 0.034 0.000 0.285 62 I C 0.901 177.018 176.117 -0.000 0.000 1.201 62 I CA 0.801 62.111 61.300 0.017 0.000 1.434 62 I CB 0.259 38.276 38.000 0.028 0.000 1.152 62 I HN 0.684 nan 8.210 nan 0.000 0.443 63 A N 0.491 123.317 122.820 0.011 0.000 2.574 63 A HA 0.655 4.995 4.320 0.034 0.000 0.297 63 A C -1.489 176.037 177.584 -0.097 0.000 1.062 63 A CA -0.392 51.585 52.037 -0.100 0.000 0.686 63 A CB 2.310 21.314 19.000 0.007 0.000 1.285 63 A HN -0.146 nan 8.150 nan 0.000 0.403 64 V N 2.431 122.143 119.914 -0.336 0.000 2.668 64 V HA 0.779 4.919 4.120 0.034 0.000 0.304 64 V C -1.965 173.963 176.094 -0.276 0.000 1.071 64 V CA -0.615 61.618 62.300 -0.111 0.000 0.894 64 V CB 1.265 33.078 31.823 -0.016 0.000 1.008 64 V HN 0.754 nan 8.190 nan 0.000 0.425 65 F N 3.651 123.709 119.950 0.179 0.000 2.469 65 F HA 0.720 5.268 4.527 0.035 0.000 0.332 65 F C 0.727 176.635 175.800 0.180 0.000 1.103 65 F CA -0.382 57.709 58.000 0.152 0.000 0.979 65 F CB 2.474 41.564 39.000 0.149 0.000 1.137 65 F HN 0.403 nan 8.300 nan 0.000 0.463 66 T N 1.185 115.902 114.554 0.272 0.000 2.952 66 T HA 0.452 4.822 4.350 0.034 0.000 0.286 66 T C 1.105 175.922 174.700 0.195 0.000 1.024 66 T CA -0.207 62.010 62.100 0.194 0.000 1.029 66 T CB 1.814 70.735 68.868 0.088 0.000 1.094 66 T HN 0.697 nan 8.240 nan 0.000 0.515 67 A N 1.188 124.097 122.820 0.148 0.000 1.948 67 A HA -0.004 4.336 4.320 0.034 0.000 0.220 67 A C 2.428 180.071 177.584 0.097 0.000 1.177 67 A CA 1.979 54.087 52.037 0.120 0.000 0.636 67 A CB -1.170 17.888 19.000 0.098 0.000 0.815 67 A HN 0.940 nan 8.150 nan 0.000 0.449 68 A N -0.134 122.735 122.820 0.081 0.000 2.019 68 A HA -0.152 4.188 4.320 0.034 0.000 0.219 68 A C 1.587 179.211 177.584 0.066 0.000 1.164 68 A CA 1.740 53.811 52.037 0.057 0.000 0.644 68 A CB -0.422 18.599 19.000 0.036 0.000 0.805 68 A HN 0.502 nan 8.150 nan 0.000 0.449 69 D N -0.199 120.269 120.400 0.113 0.000 2.277 69 D HA 0.045 4.705 4.640 0.034 0.000 0.208 69 D C 0.548 176.938 176.300 0.149 0.000 0.962 69 D CA 0.236 54.328 54.000 0.152 0.000 0.865 69 D CB -0.286 40.673 40.800 0.265 0.000 0.939 69 D HN 0.396 nan 8.370 nan 0.000 0.510 70 L N 3.417 124.714 121.223 0.124 0.000 2.562 70 L HA 0.017 4.377 4.340 0.034 0.000 0.271 70 L C -0.720 176.159 176.870 0.015 0.000 1.167 70 L CA -0.936 53.951 54.840 0.078 0.000 0.917 70 L CB 0.363 42.467 42.059 0.073 0.000 1.187 70 L HN -0.071 nan 8.230 nan 0.000 0.482 71 P HA -0.111 nan 4.420 nan 0.000 0.217 71 P C 0.085 177.084 177.300 -0.501 0.000 1.150 71 P CA 1.504 64.494 63.100 -0.184 0.000 0.832 71 P CB 0.302 31.987 31.700 -0.024 0.000 0.787 72 H N -2.575 116.517 119.070 0.035 0.000 2.959 72 H HA 0.252 4.828 4.556 0.033 0.000 0.296 72 H C -0.408 174.938 175.328 0.031 0.000 1.421 72 H CA -0.992 55.075 56.048 0.033 0.000 1.206 72 H CB -0.185 29.599 29.762 0.037 0.000 1.891 72 H HN -0.276 nan 8.280 nan 0.000 0.573 73 D N 1.524 122.029 120.400 0.175 0.000 6.725 73 D HA -0.190 4.470 4.640 0.034 0.000 0.164 73 D C -0.167 176.174 176.300 0.069 0.000 1.245 73 D CA 0.691 54.743 54.000 0.086 0.000 0.790 73 D CB -0.342 40.490 40.800 0.052 0.000 1.490 73 D HN 0.369 nan 8.370 nan 0.000 0.862 74 N N 2.975 121.709 118.700 0.058 0.000 2.968 74 N HA 0.036 4.796 4.740 0.034 0.000 0.271 74 N C -1.298 174.241 175.510 0.049 0.000 1.174 74 N CA -0.075 53.009 53.050 0.057 0.000 1.096 74 N CB 0.122 38.651 38.487 0.070 0.000 1.403 74 N HN 0.291 nan 8.380 nan 0.000 0.522 75 D N 0.717 121.133 120.400 0.026 0.000 2.927 75 D HA 0.395 5.055 4.640 0.034 0.000 0.219 75 D C -0.762 175.523 176.300 -0.025 0.000 1.248 75 D CA -0.434 53.575 54.000 0.014 0.000 0.861 75 D CB 1.921 42.734 40.800 0.021 0.000 1.677 75 D HN 0.268 nan 8.370 nan 0.000 0.511 76 A N 2.342 125.121 122.820 -0.068 0.000 2.340 76 A HA 0.188 4.528 4.320 0.034 0.000 0.213 76 A C 0.857 178.437 177.584 -0.005 0.000 1.299 76 A CA 0.110 52.081 52.037 -0.111 0.000 0.994 76 A CB 0.246 18.962 19.000 -0.473 0.000 1.132 76 A HN 0.405 nan 8.150 nan 0.000 0.519 77 S N 1.347 117.053 115.700 0.010 0.000 2.599 77 S HA 0.094 4.584 4.470 0.034 0.000 0.303 77 S C -1.310 173.291 174.600 0.002 0.000 1.267 77 S CA -0.280 57.919 58.200 -0.003 0.000 1.055 77 S CB 0.707 63.881 63.200 -0.044 0.000 0.790 77 S HN 0.232 nan 8.310 nan 0.000 0.500 78 P HA 0.133 nan 4.420 nan 0.000 0.222 78 P C 0.001 177.294 177.300 -0.012 0.000 1.153 78 P CA 0.597 63.695 63.100 -0.003 0.000 0.798 78 P CB 0.027 31.744 31.700 0.028 0.000 0.796 79 A N 1.019 123.822 122.820 -0.029 0.000 2.386 79 A HA 0.294 4.635 4.320 0.034 0.000 0.248 79 A C -1.141 176.433 177.584 -0.016 0.000 1.082 79 A CA -1.137 50.880 52.037 -0.034 0.000 0.789 79 A CB -0.502 18.451 19.000 -0.080 0.000 1.025 79 A HN 0.033 nan 8.150 nan 0.000 0.490 80 P HA -0.084 nan 4.420 nan 0.000 0.223 80 P C 0.672 177.971 177.300 -0.001 0.000 1.144 80 P CA 0.978 64.082 63.100 0.005 0.000 0.783 80 P CB -0.051 31.654 31.700 0.009 0.000 0.771 81 S N 1.115 116.806 115.700 -0.014 0.000 2.516 81 S HA 0.222 4.713 4.470 0.034 0.000 0.282 81 S C -2.313 172.272 174.600 -0.025 0.000 1.286 81 S CA -1.272 56.919 58.200 -0.015 0.000 1.066 81 S CB -0.338 62.845 63.200 -0.029 0.000 0.884 81 S HN -0.086 nan 8.310 nan 0.000 0.491 82 P HA 0.181 nan 4.420 nan 0.000 0.268 82 P C -0.938 176.354 177.300 -0.013 0.000 1.204 82 P CA 0.036 63.139 63.100 0.005 0.000 0.768 82 P CB 0.355 32.073 31.700 0.030 0.000 0.842 83 E N 4.455 124.658 120.200 0.005 0.000 2.283 83 E HA 0.352 4.722 4.350 0.034 0.000 0.258 83 E C -2.719 173.982 176.600 0.169 0.000 0.893 83 E CA -2.697 53.727 56.400 0.039 0.000 0.798 83 E CB 1.285 30.939 29.700 -0.076 0.000 1.242 83 E HN 0.191 nan 8.360 nan 0.000 0.414 84 P HA -0.023 nan 4.420 nan 0.000 0.271 84 P C 0.356 177.794 177.300 0.230 0.000 1.244 84 P CA -0.288 62.946 63.100 0.223 0.000 0.793 84 P CB 0.945 32.789 31.700 0.240 0.000 0.984 85 V N -0.238 119.736 119.914 0.101 0.000 2.521 85 V HA 0.077 4.217 4.120 0.034 0.000 0.239 85 V C 0.994 177.120 176.094 0.053 0.000 1.053 85 V CA 0.976 63.311 62.300 0.058 0.000 1.073 85 V CB -0.714 31.111 31.823 0.003 0.000 0.746 85 V HN 0.307 nan 8.190 nan 0.000 0.476 86 L N 1.445 122.708 121.223 0.067 0.000 2.282 86 L HA 0.671 5.031 4.340 0.034 0.000 0.288 86 L C 0.453 177.369 176.870 0.076 0.000 1.033 86 L CA -0.663 54.209 54.840 0.053 0.000 0.807 86 L CB 1.274 43.408 42.059 0.124 0.000 1.209 86 L HN 0.258 nan 8.230 nan 0.000 0.423 87 A N 2.253 125.098 122.820 0.041 0.000 2.587 87 A HA 0.208 4.548 4.320 0.034 0.000 0.235 87 A C 0.578 178.209 177.584 0.079 0.000 1.044 87 A CA 0.245 52.314 52.037 0.053 0.000 0.754 87 A CB -0.267 18.730 19.000 -0.006 0.000 0.968 87 A HN 0.741 nan 8.150 nan 0.000 0.509 88 T N 0.625 115.241 114.554 0.104 0.000 2.947 88 T HA 0.546 4.917 4.350 0.034 0.000 0.337 88 T C 1.133 175.879 174.700 0.077 0.000 1.139 88 T CA 0.294 62.450 62.100 0.093 0.000 0.992 88 T CB 0.581 69.516 68.868 0.112 0.000 1.043 88 T HN 2.396 nan 8.240 nan 0.000 0.498 89 G N 2.601 111.427 108.800 0.044 0.000 2.412 89 G HA2 -0.272 3.708 3.960 0.034 0.000 0.252 89 G HA3 -0.272 3.708 3.960 0.034 0.000 0.252 89 G C -0.059 174.844 174.900 0.005 0.000 1.038 89 G CA 0.667 45.782 45.100 0.024 0.000 0.628 89 G HN 1.205 nan 8.290 nan 0.000 0.531 90 E N -1.103 119.095 120.200 -0.003 0.000 2.430 90 E HA 0.628 4.998 4.350 0.034 0.000 0.279 90 E C -0.600 175.897 176.600 -0.171 0.000 1.003 90 E CA -0.624 55.725 56.400 -0.085 0.000 0.801 90 E CB 2.151 31.775 29.700 -0.126 0.000 1.313 90 E HN 1.040 nan 8.360 nan 0.000 0.459 91 V N -0.987 118.765 119.914 -0.270 0.000 2.715 91 V HA 0.497 4.637 4.120 0.034 0.000 0.310 91 V C -0.134 175.662 176.094 -0.497 0.000 1.054 91 V CA -0.576 61.530 62.300 -0.323 0.000 0.928 91 V CB 1.593 33.290 31.823 -0.210 0.000 1.007 91 V HN 0.880 nan 8.190 nan 0.000 0.437 92 H N 2.888 121.832 119.070 -0.211 0.000 3.170 92 H HA 0.387 4.963 4.556 0.033 0.000 0.264 92 H C -0.271 175.066 175.328 0.014 0.000 1.113 92 H CA 0.777 56.802 56.048 -0.039 0.000 1.194 92 H CB 1.351 31.229 29.762 0.194 0.000 1.553 92 H HN 0.793 nan 8.280 nan 0.000 0.538 93 F N -1.565 118.207 119.950 -0.296 0.000 2.703 93 F HA 0.455 5.002 4.527 0.032 0.000 0.308 93 F C -1.562 174.100 175.800 -0.231 0.000 1.126 93 F CA -1.350 56.514 58.000 -0.227 0.000 0.959 93 F CB 0.832 39.694 39.000 -0.231 0.000 1.297 93 F HN -0.362 nan 8.300 nan 0.000 0.441 94 V N 3.242 123.042 119.914 -0.190 0.000 2.403 94 V HA 0.483 4.623 4.120 0.034 0.000 0.265 94 V C 0.852 176.732 176.094 -0.357 0.000 1.034 94 V CA 1.177 63.304 62.300 -0.289 0.000 1.036 94 V CB -0.124 31.640 31.823 -0.100 0.000 1.032 94 V HN 1.475 nan 8.190 nan 0.000 0.478 95 G N 3.794 112.189 108.800 -0.674 0.000 2.234 95 G HA2 -0.149 3.831 3.960 0.034 0.000 0.153 95 G HA3 -0.149 3.831 3.960 0.034 0.000 0.153 95 G C 0.097 174.477 174.900 -0.865 0.000 1.013 95 G CA -0.088 44.694 45.100 -0.530 0.000 0.712 95 G HN 0.633 nan 8.290 nan 0.000 0.491 96 Q N 1.336 120.268 119.800 -1.447 0.000 2.293 96 Q HA 0.421 4.781 4.340 0.034 0.000 0.263 96 Q C -2.392 173.292 176.000 -0.525 0.000 1.002 96 Q CA -1.717 53.455 55.803 -1.052 0.000 0.910 96 Q CB 0.891 28.967 28.738 -1.103 0.000 1.185 96 Q HN 0.123 nan 8.270 nan 0.000 0.401 97 P HA -0.022 nan 4.420 nan 0.000 0.264 97 P C -0.344 176.788 177.300 -0.280 0.000 1.229 97 P CA 0.598 63.409 63.100 -0.482 0.000 0.780 97 P CB 0.433 31.453 31.700 -1.133 0.000 0.808 98 I N 3.594 124.083 120.570 -0.136 0.000 2.494 98 I HA 0.022 4.212 4.170 0.034 0.000 0.250 98 I C 1.038 177.280 176.117 0.209 0.000 1.112 98 I CA 0.943 62.275 61.300 0.054 0.000 1.438 98 I CB -0.183 37.915 38.000 0.163 0.000 1.111 98 I HN 0.267 nan 8.210 nan 0.000 0.431 99 F N -0.188 119.802 119.950 0.068 0.000 2.764 99 F HA 0.790 5.337 4.527 0.033 0.000 0.347 99 F C -1.204 174.785 175.800 0.314 0.000 1.151 99 F CA -1.535 56.561 58.000 0.160 0.000 1.021 99 F CB 1.499 40.567 39.000 0.114 0.000 1.438 99 F HN -0.293 nan 8.300 nan 0.000 0.516 100 L N 2.092 123.615 121.223 0.501 0.000 2.482 100 L HA 0.682 5.042 4.340 0.034 0.000 0.269 100 L C -1.603 175.536 176.870 0.448 0.000 0.967 100 L CA -0.499 54.582 54.840 0.401 0.000 0.851 100 L CB 1.780 44.083 42.059 0.407 0.000 1.242 100 L HN 0.629 nan 8.230 nan 0.000 0.404 101 V N 3.589 123.670 119.914 0.278 0.000 2.686 101 V HA 0.849 4.990 4.120 0.034 0.000 0.295 101 V C 0.455 176.663 176.094 0.190 0.000 1.057 101 V CA -0.019 62.433 62.300 0.254 0.000 1.012 101 V CB 1.363 33.298 31.823 0.186 0.000 1.006 101 V HN 0.933 nan 8.190 nan 0.000 0.477 102 A N 3.289 126.225 122.820 0.194 0.000 2.340 102 A HA 0.899 5.239 4.320 0.034 0.000 0.297 102 A C -0.249 177.390 177.584 0.093 0.000 1.195 102 A CA -0.129 51.995 52.037 0.146 0.000 0.769 102 A CB 1.151 20.287 19.000 0.227 0.000 1.163 102 A HN 1.333 nan 8.150 nan 0.000 0.472 103 A N 1.310 124.171 122.820 0.068 0.000 2.430 103 A HA 0.752 5.092 4.320 0.034 0.000 0.300 103 A C 1.088 178.703 177.584 0.052 0.000 1.124 103 A CA 0.195 52.268 52.037 0.060 0.000 0.766 103 A CB 0.515 19.554 19.000 0.066 0.000 1.328 103 A HN 1.518 nan 8.150 nan 0.000 0.424 104 T N -1.375 113.211 114.554 0.053 0.000 3.007 104 T HA 0.103 4.473 4.350 0.034 0.000 0.270 104 T C 0.796 175.585 174.700 0.149 0.000 1.107 104 T CA 1.333 63.463 62.100 0.049 0.000 1.118 104 T CB -0.645 68.248 68.868 0.042 0.000 0.889 104 T HN 1.613 nan 8.240 nan 0.000 0.506 105 S N -0.684 115.147 115.700 0.218 0.000 2.569 105 S HA 0.393 4.883 4.470 0.034 0.000 0.280 105 S C 0.562 175.338 174.600 0.293 0.000 1.111 105 S CA -0.851 57.551 58.200 0.337 0.000 0.887 105 S CB 1.593 64.890 63.200 0.161 0.000 1.095 105 S HN 0.241 nan 8.310 nan 0.000 0.476 106 H N 2.049 121.150 119.070 0.052 0.000 2.319 106 H HA -0.059 4.516 4.556 0.033 0.000 0.299 106 H C 1.868 177.203 175.328 0.012 0.000 1.092 106 H CA 1.973 58.004 56.048 -0.027 0.000 1.302 106 H CB -0.071 29.555 29.762 -0.228 0.000 1.373 106 H HN 0.563 nan 8.280 nan 0.000 0.497 107 R N 0.451 121.028 120.500 0.127 0.000 2.112 107 R HA -0.149 4.211 4.340 0.034 0.000 0.242 107 R C 2.506 178.819 176.300 0.021 0.000 1.137 107 R CA 1.344 57.490 56.100 0.077 0.000 0.944 107 R CB -1.040 29.306 30.300 0.077 0.000 0.857 107 R HN 0.451 nan 8.270 nan 0.000 0.435 108 A N 0.668 123.511 122.820 0.040 0.000 1.908 108 A HA -0.125 4.215 4.320 0.034 0.000 0.218 108 A C 2.385 179.980 177.584 0.019 0.000 1.181 108 A CA 2.069 54.128 52.037 0.037 0.000 0.627 108 A CB -0.608 18.425 19.000 0.055 0.000 0.818 108 A HN 0.429 nan 8.150 nan 0.000 0.445 109 A N -0.844 121.974 122.820 -0.003 0.000 1.898 109 A HA -0.125 4.215 4.320 0.034 0.000 0.216 109 A C 2.234 179.791 177.584 -0.045 0.000 1.181 109 A CA 1.341 53.369 52.037 -0.015 0.000 0.620 109 A CB -0.460 18.519 19.000 -0.034 0.000 0.819 109 A HN 0.385 nan 8.150 nan 0.000 0.442 110 R N -0.517 119.913 120.500 -0.117 0.000 2.105 110 R HA -0.071 4.289 4.340 0.034 0.000 0.239 110 R C 1.959 178.251 176.300 -0.013 0.000 1.135 110 R CA 1.380 57.427 56.100 -0.088 0.000 0.967 110 R CB -0.670 29.566 30.300 -0.107 0.000 0.861 110 R HN 0.650 nan 8.270 nan 0.000 0.442 111 I N 0.178 120.751 120.570 0.005 0.000 2.202 111 I HA -0.237 3.953 4.170 0.034 0.000 0.242 111 I C 2.391 178.537 176.117 0.048 0.000 1.091 111 I CA 1.300 62.617 61.300 0.028 0.000 1.368 111 I CB -0.273 37.745 38.000 0.029 0.000 1.058 111 I HN 0.098 nan 8.210 nan 0.000 0.410 112 A N 0.396 123.251 122.820 0.058 0.000 2.015 112 A HA -0.077 4.263 4.320 0.034 0.000 0.219 112 A C 2.484 180.168 177.584 0.168 0.000 1.163 112 A CA 1.422 53.516 52.037 0.094 0.000 0.646 112 A CB -0.693 18.363 19.000 0.093 0.000 0.806 112 A HN 0.429 nan 8.150 nan 0.000 0.448 113 A N 0.147 123.052 122.820 0.142 0.000 1.940 113 A HA -0.201 4.140 4.320 0.034 0.000 0.219 113 A C 2.225 179.937 177.584 0.214 0.000 1.176 113 A CA 1.706 53.837 52.037 0.156 0.000 0.631 113 A CB -0.403 18.586 19.000 -0.018 0.000 0.814 113 A HN 0.559 nan 8.150 nan 0.000 0.446 114 R N -0.478 120.098 120.500 0.127 0.000 2.153 114 R HA 0.032 4.392 4.340 0.034 0.000 0.218 114 R C 1.296 177.666 176.300 0.116 0.000 1.072 114 R CA 0.996 57.161 56.100 0.108 0.000 0.990 114 R CB -0.129 30.208 30.300 0.061 0.000 0.889 114 R HN 0.401 nan 8.270 nan 0.000 0.452 115 K N 1.012 121.477 120.400 0.109 0.000 2.665 115 K HA 0.081 4.421 4.320 0.034 0.000 0.196 115 K C 0.033 176.653 176.600 0.034 0.000 1.021 115 K CA -0.096 56.228 56.287 0.062 0.000 1.066 115 K CB 0.246 32.772 32.500 0.043 0.000 0.849 115 K HN 0.119 nan 8.250 nan 0.000 0.500 116 A N 1.544 124.407 122.820 0.071 0.000 2.340 116 A HA 0.267 4.608 4.320 0.034 0.000 0.268 116 A C -0.254 177.308 177.584 -0.037 0.000 1.100 116 A CA -0.394 51.624 52.037 -0.032 0.000 0.803 116 A CB 0.395 19.411 19.000 0.027 0.000 1.043 116 A HN 0.308 nan 8.150 nan 0.000 0.488 117 R N 2.229 122.668 120.500 -0.101 0.000 2.332 117 R HA 0.519 4.879 4.340 0.034 0.000 0.306 117 R C -1.502 174.715 176.300 -0.139 0.000 1.117 117 R CA -0.092 55.954 56.100 -0.090 0.000 1.108 117 R CB 0.044 30.294 30.300 -0.083 0.000 1.126 117 R HN 0.707 nan 8.270 nan 0.000 0.548 118 I N 3.015 123.489 120.570 -0.160 0.000 2.378 118 I HA 0.256 4.446 4.170 0.034 0.000 0.291 118 I C 0.083 175.955 176.117 -0.408 0.000 0.992 118 I CA -0.789 60.312 61.300 -0.331 0.000 1.154 118 I CB 2.232 39.965 38.000 -0.445 0.000 1.315 118 I HN 0.447 nan 8.210 nan 0.000 0.448 119 T N 2.472 116.797 114.554 -0.380 0.000 2.770 119 T HA 0.544 4.914 4.350 0.034 0.000 0.297 119 T C -0.692 173.832 174.700 -0.293 0.000 0.997 119 T CA -0.615 61.333 62.100 -0.254 0.000 0.949 119 T CB 0.126 68.922 68.868 -0.121 0.000 0.941 119 T HN 0.221 nan 8.240 nan 0.000 0.457 120 Y N 1.580 121.854 120.300 -0.043 0.000 2.320 120 Y HA 0.574 5.144 4.550 0.033 0.000 0.324 120 Y C 0.679 176.551 175.900 -0.046 0.000 1.190 120 Y CA -1.428 56.641 58.100 -0.052 0.000 1.215 120 Y CB 1.245 39.666 38.460 -0.065 0.000 1.221 120 Y HN 0.861 nan 8.280 nan 0.000 0.486 121 A N 4.453 127.337 122.820 0.106 0.000 2.838 121 A HA 0.513 4.853 4.320 0.034 0.000 0.337 121 A C -2.769 174.835 177.584 0.033 0.000 1.383 121 A CA -1.775 50.291 52.037 0.048 0.000 0.985 121 A CB -0.634 18.376 19.000 0.018 0.000 1.157 121 A HN 0.424 nan 8.150 nan 0.000 0.497 122 P HA 0.345 nan 4.420 nan 0.000 0.271 122 P C -0.167 177.119 177.300 -0.023 0.000 1.216 122 P CA 0.053 63.142 63.100 -0.019 0.000 0.771 122 P CB 0.725 32.401 31.700 -0.041 0.000 0.864 123 R N 3.265 123.745 120.500 -0.033 0.000 2.782 123 R HA 0.592 4.952 4.340 0.034 0.000 0.258 123 R C -2.192 174.090 176.300 -0.030 0.000 1.055 123 R CA -2.071 54.014 56.100 -0.025 0.000 1.065 123 R CB -0.496 29.793 30.300 -0.019 0.000 1.172 123 R HN 0.309 nan 8.270 nan 0.000 0.510 124 P HA 0.017 nan 4.420 nan 0.000 0.267 124 P C -1.331 175.957 177.300 -0.020 0.000 1.201 124 P CA 0.205 63.292 63.100 -0.021 0.000 0.775 124 P CB 0.579 32.271 31.700 -0.013 0.000 0.854 125 A N 2.423 125.229 122.820 -0.024 0.000 2.374 125 A HA 0.586 4.926 4.320 0.034 0.000 0.305 125 A C -0.778 176.794 177.584 -0.019 0.000 1.053 125 A CA -0.599 51.427 52.037 -0.019 0.000 0.726 125 A CB 0.473 19.452 19.000 -0.034 0.000 1.229 125 A HN 0.382 nan 8.150 nan 0.000 0.431 126 I N 3.110 123.673 120.570 -0.012 0.000 2.322 126 I HA 0.228 4.418 4.170 0.034 0.000 0.292 126 I C 0.738 176.826 176.117 -0.048 0.000 1.060 126 I CA 0.560 61.844 61.300 -0.028 0.000 1.309 126 I CB 0.494 38.476 38.000 -0.029 0.000 1.415 126 I HN 0.705 nan 8.210 nan 0.000 0.492 127 L N 2.722 123.906 121.223 -0.064 0.000 2.663 127 L HA 0.222 4.582 4.340 0.034 0.000 0.218 127 L C 1.089 177.880 176.870 -0.132 0.000 1.043 127 L CA 0.258 55.032 54.840 -0.109 0.000 0.876 127 L CB 0.074 42.087 42.059 -0.077 0.000 1.263 127 L HN 0.554 nan 8.230 nan 0.000 0.486 128 T N -0.543 113.964 114.554 -0.078 0.000 2.934 128 T HA 0.350 4.720 4.350 0.034 0.000 0.283 128 T C 1.071 175.729 174.700 -0.071 0.000 1.005 128 T CA -0.519 61.539 62.100 -0.069 0.000 1.041 128 T CB 1.245 70.095 68.868 -0.029 0.000 1.042 128 T HN -0.009 nan 8.240 nan 0.000 0.505 129 L N 2.627 123.808 121.223 -0.070 0.000 2.042 129 L HA -0.019 4.341 4.340 0.034 0.000 0.210 129 L C 2.560 179.387 176.870 -0.072 0.000 1.076 129 L CA 1.644 56.438 54.840 -0.075 0.000 0.749 129 L CB -0.811 41.204 42.059 -0.073 0.000 0.893 129 L HN 0.679 nan 8.230 nan 0.000 0.432 130 D N -0.413 119.955 120.400 -0.054 0.000 2.133 130 D HA -0.219 4.441 4.640 0.034 0.000 0.195 130 D C 2.228 178.499 176.300 -0.048 0.000 0.997 130 D CA 1.369 55.340 54.000 -0.049 0.000 0.840 130 D CB 0.043 40.825 40.800 -0.028 0.000 0.947 130 D HN 0.536 nan 8.370 nan 0.000 0.452 131 Q N 0.399 120.173 119.800 -0.044 0.000 1.990 131 Q HA -0.081 4.279 4.340 0.034 0.000 0.200 131 Q C 2.365 178.335 176.000 -0.051 0.000 0.980 131 Q CA 1.265 57.043 55.803 -0.041 0.000 0.832 131 Q CB -0.168 28.549 28.738 -0.035 0.000 0.897 131 Q HN 0.180 nan 8.270 nan 0.000 0.427 132 A N 0.921 123.704 122.820 -0.061 0.000 1.884 132 A HA -0.246 4.094 4.320 0.034 0.000 0.219 132 A C 2.045 179.584 177.584 -0.075 0.000 1.197 132 A CA 1.685 53.679 52.037 -0.071 0.000 0.637 132 A CB -0.861 18.093 19.000 -0.078 0.000 0.827 132 A HN 0.360 nan 8.150 nan 0.000 0.450 133 L N -0.787 120.385 121.223 -0.086 0.000 2.093 133 L HA 0.008 4.368 4.340 0.034 0.000 0.208 133 L C 2.683 179.506 176.870 -0.078 0.000 1.085 133 L CA 2.073 56.850 54.840 -0.106 0.000 0.755 133 L CB -0.699 41.266 42.059 -0.157 0.000 0.904 133 L HN 0.365 nan 8.230 nan 0.000 0.435 134 A N -1.223 121.560 122.820 -0.062 0.000 2.016 134 A HA 0.198 4.538 4.320 0.034 0.000 0.217 134 A C 2.143 179.705 177.584 -0.037 0.000 1.162 134 A CA 1.044 53.054 52.037 -0.045 0.000 0.662 134 A CB -0.638 18.340 19.000 -0.036 0.000 0.812 134 A HN 0.427 nan 8.150 nan 0.000 0.450 135 A N -1.590 121.206 122.820 -0.041 0.000 2.308 135 A HA 0.357 4.697 4.320 0.034 0.000 0.217 135 A C 0.672 178.231 177.584 -0.042 0.000 1.216 135 A CA 0.845 52.861 52.037 -0.036 0.000 0.864 135 A CB -0.154 18.825 19.000 -0.034 0.000 0.902 135 A HN 0.358 nan 8.150 nan 0.000 0.499 136 D N -0.830 119.542 120.400 -0.047 0.000 2.870 136 D HA -0.152 4.508 4.640 0.034 0.000 0.228 136 D C 0.172 176.427 176.300 -0.075 0.000 1.147 136 D CA 1.162 55.133 54.000 -0.048 0.000 0.757 136 D CB -1.459 39.321 40.800 -0.034 0.000 1.091 136 D HN 0.327 nan 8.370 nan 0.000 0.429 137 S N 0.080 115.726 115.700 -0.091 0.000 3.072 137 S HA 0.397 4.887 4.470 0.034 0.000 0.306 137 S C 0.249 174.736 174.600 -0.189 0.000 1.207 137 S CA -0.228 57.888 58.200 -0.140 0.000 1.008 137 S CB -0.076 63.059 63.200 -0.108 0.000 1.390 137 S HN 0.421 nan 8.310 nan 0.000 0.523 138 R N 2.028 122.382 120.500 -0.244 0.000 2.781 138 R HA 0.673 5.033 4.340 0.034 0.000 0.269 138 R C -1.509 174.588 176.300 -0.338 0.000 1.025 138 R CA -0.925 55.045 56.100 -0.216 0.000 0.914 138 R CB 0.596 30.870 30.300 -0.043 0.000 1.236 138 R HN 0.297 nan 8.270 nan 0.000 0.465 139 F N 0.506 120.442 119.950 -0.024 0.000 2.497 139 F HA 0.364 4.911 4.527 0.034 0.000 0.331 139 F C 0.592 176.374 175.800 -0.030 0.000 1.060 139 F CA -0.148 57.833 58.000 -0.032 0.000 0.989 139 F CB 1.692 40.666 39.000 -0.044 0.000 1.245 139 F HN 0.886 nan 8.300 nan 0.000 0.486 140 E N -0.095 120.227 120.200 0.203 0.000 3.916 140 E HA -0.219 4.152 4.350 0.034 0.000 0.331 140 E C 0.673 177.302 176.600 0.047 0.000 0.729 140 E CA 0.635 57.092 56.400 0.094 0.000 1.222 140 E CB -1.643 28.094 29.700 0.062 0.000 1.633 140 E HN 1.152 nan 8.360 nan 0.000 0.437 141 G N 0.003 108.824 108.800 0.036 0.000 2.417 141 G HA2 0.199 4.179 3.960 0.034 0.000 0.291 141 G HA3 0.199 4.179 3.960 0.034 0.000 0.291 141 G C 0.424 175.329 174.900 0.008 0.000 1.094 141 G CA 0.712 45.820 45.100 0.013 0.000 1.146 141 G HN 1.264 nan 8.290 nan 0.000 0.519 142 G N 0.002 108.808 108.800 0.009 0.000 2.497 142 G HA2 0.441 4.422 3.960 0.034 0.000 0.686 142 G HA3 0.441 4.422 3.960 0.034 0.000 0.686 142 G C -2.463 172.412 174.900 -0.041 0.000 1.288 142 G CA -0.052 45.049 45.100 0.001 0.000 0.899 142 G HN 0.987 nan 8.290 nan 0.000 0.608 143 P HA 0.566 nan 4.420 nan 0.000 0.278 143 P C -0.159 177.004 177.300 -0.229 0.000 1.258 143 P CA -0.458 62.453 63.100 -0.315 0.000 0.811 143 P CB 1.410 32.651 31.700 -0.766 0.000 1.063 144 V N 2.341 122.091 119.914 -0.273 0.000 2.465 144 V HA 0.290 4.430 4.120 0.034 0.000 0.279 144 V C 0.531 176.415 176.094 -0.349 0.000 1.045 144 V CA -0.228 61.895 62.300 -0.295 0.000 0.938 144 V CB 0.553 32.134 31.823 -0.403 0.000 0.986 144 V HN 0.333 nan 8.190 nan 0.000 0.467 145 I N 4.579 125.014 120.570 -0.223 0.000 2.439 145 I HA 0.395 4.585 4.170 0.034 0.000 0.283 145 I C -1.126 175.071 176.117 0.133 0.000 1.023 145 I CA -0.211 61.033 61.300 -0.094 0.000 1.100 145 I CB 1.506 39.494 38.000 -0.020 0.000 1.238 145 I HN 0.493 nan 8.210 nan 0.000 0.445 146 W N 5.289 126.645 121.300 0.093 0.000 2.529 146 W HA 0.785 5.465 4.660 0.033 0.000 0.321 146 W C -0.238 176.360 176.519 0.130 0.000 1.047 146 W CA -1.550 55.876 57.345 0.135 0.000 1.216 146 W CB 1.861 31.448 29.460 0.212 0.000 1.357 146 W HN 0.398 nan 8.180 nan 0.000 0.489 147 A N 3.861 126.883 122.820 0.338 0.000 2.359 147 A HA 0.736 5.077 4.320 0.034 0.000 0.303 147 A C -0.883 176.808 177.584 0.177 0.000 1.066 147 A CA -0.968 51.199 52.037 0.217 0.000 0.730 147 A CB 1.509 20.597 19.000 0.147 0.000 1.211 147 A HN 0.605 nan 8.150 nan 0.000 0.439 148 R N 2.675 123.270 120.500 0.159 0.000 2.310 148 R HA 0.535 4.896 4.340 0.034 0.000 0.324 148 R C 0.679 177.021 176.300 0.070 0.000 0.955 148 R CA 0.861 57.029 56.100 0.113 0.000 0.830 148 R CB 0.670 31.045 30.300 0.125 0.000 1.154 148 R HN 2.100 nan 8.270 nan 0.000 0.458 149 G N 3.096 111.931 108.800 0.058 0.000 2.601 149 G HA2 -0.307 3.673 3.960 0.034 0.000 0.252 149 G HA3 -0.307 3.673 3.960 0.034 0.000 0.252 149 G C -0.966 173.956 174.900 0.038 0.000 1.294 149 G CA 0.157 45.282 45.100 0.042 0.000 0.912 149 G HN 0.662 nan 8.290 nan 0.000 0.574 150 D N -0.128 120.287 120.400 0.025 0.000 2.464 150 D HA 0.537 5.197 4.640 0.034 0.000 0.243 150 D C 1.653 177.957 176.300 0.006 0.000 1.104 150 D CA 0.113 54.125 54.000 0.020 0.000 0.883 150 D CB 1.017 41.828 40.800 0.018 0.000 1.050 150 D HN 0.368 nan 8.370 nan 0.000 0.524 151 V N 3.755 123.671 119.914 0.003 0.000 2.233 151 V HA -0.228 3.912 4.120 0.034 0.000 0.247 151 V C 2.305 178.387 176.094 -0.019 0.000 1.050 151 V CA 1.410 63.700 62.300 -0.017 0.000 1.010 151 V CB -0.422 31.387 31.823 -0.024 0.000 0.637 151 V HN 0.554 nan 8.190 nan 0.000 0.444 152 E N 0.405 120.598 120.200 -0.011 0.000 2.136 152 E HA -0.272 4.098 4.350 0.034 0.000 0.202 152 E C 2.267 178.860 176.600 -0.012 0.000 1.019 152 E CA 2.362 58.755 56.400 -0.011 0.000 0.819 152 E CB -0.611 29.088 29.700 -0.002 0.000 0.739 152 E HN 0.670 nan 8.360 nan 0.000 0.458 153 T N 0.701 115.251 114.554 -0.007 0.000 2.904 153 T HA 0.018 4.388 4.350 0.034 0.000 0.267 153 T C 1.926 176.619 174.700 -0.011 0.000 1.059 153 T CA 1.062 63.158 62.100 -0.006 0.000 1.137 153 T CB -0.075 68.793 68.868 0.000 0.000 0.879 153 T HN 0.282 nan 8.240 nan 0.000 0.467 154 A N 1.545 124.357 122.820 -0.014 0.000 1.873 154 A HA 0.081 4.421 4.320 0.034 0.000 0.215 154 A C 2.221 179.789 177.584 -0.027 0.000 1.186 154 A CA 1.034 53.060 52.037 -0.019 0.000 0.616 154 A CB -0.742 18.244 19.000 -0.023 0.000 0.823 154 A HN 0.471 nan 8.150 nan 0.000 0.442 155 L N -0.742 120.461 121.223 -0.032 0.000 2.201 155 L HA -0.118 4.243 4.340 0.034 0.000 0.212 155 L C 3.024 179.873 176.870 -0.035 0.000 1.105 155 L CA 0.710 55.527 54.840 -0.038 0.000 0.775 155 L CB -0.750 41.284 42.059 -0.043 0.000 0.913 155 L HN 0.424 nan 8.230 nan 0.000 0.440 156 A N 0.716 123.519 122.820 -0.028 0.000 1.884 156 A HA -0.170 4.171 4.320 0.034 0.000 0.219 156 A C 1.866 179.431 177.584 -0.032 0.000 1.197 156 A CA 2.045 54.066 52.037 -0.026 0.000 0.637 156 A CB -0.993 17.995 19.000 -0.019 0.000 0.827 156 A HN 0.450 nan 8.150 nan 0.000 0.450 157 G N -1.387 107.395 108.800 -0.031 0.000 4.757 157 G HA2 0.528 4.508 3.960 0.034 0.000 0.303 157 G HA3 0.528 4.508 3.960 0.034 0.000 0.303 157 G C -0.007 174.868 174.900 -0.041 0.000 1.318 157 G CA 0.504 45.583 45.100 -0.036 0.000 1.020 157 G HN 0.735 nan 8.290 nan 0.000 0.589 158 A N 0.242 123.034 122.820 -0.047 0.000 2.328 158 A HA 0.713 5.054 4.320 0.034 0.000 0.284 158 A C 1.556 179.088 177.584 -0.086 0.000 1.160 158 A CA 0.325 52.332 52.037 -0.049 0.000 0.818 158 A CB 1.000 19.976 19.000 -0.040 0.000 1.087 158 A HN 0.876 nan 8.150 nan 0.000 0.504 159 A N 2.101 124.861 122.820 -0.099 0.000 1.902 159 A HA 0.022 4.362 4.320 0.034 0.000 0.217 159 A C 0.746 178.040 177.584 -0.485 0.000 1.181 159 A CA 1.570 53.463 52.037 -0.240 0.000 0.623 159 A CB -0.480 18.417 19.000 -0.171 0.000 0.818 159 A HN 0.899 nan 8.150 nan 0.000 0.443 160 H N -2.307 116.728 119.070 -0.057 0.000 2.689 160 H HA 0.655 5.231 4.556 0.034 0.000 0.346 160 H C -0.884 174.394 175.328 -0.083 0.000 1.037 160 H CA -0.438 55.566 56.048 -0.074 0.000 1.234 160 H CB 1.768 31.481 29.762 -0.081 0.000 1.572 160 H HN 0.354 nan 8.280 nan 0.000 0.524 161 L N 2.091 123.317 121.223 0.005 0.000 2.431 161 L HA 0.918 5.278 4.340 0.034 0.000 0.266 161 L C -1.433 175.395 176.870 -0.070 0.000 0.978 161 L CA -0.700 54.118 54.840 -0.036 0.000 0.822 161 L CB 1.611 43.642 42.059 -0.047 0.000 1.310 161 L HN 0.749 nan 8.230 nan 0.000 0.409 162 A N 3.889 126.665 122.820 -0.072 0.000 2.359 162 A HA 0.744 5.084 4.320 0.034 0.000 0.303 162 A C -1.104 176.520 177.584 0.067 0.000 1.066 162 A CA -0.503 51.466 52.037 -0.112 0.000 0.730 162 A CB 1.271 20.069 19.000 -0.337 0.000 1.211 162 A HN 0.806 nan 8.150 nan 0.000 0.439 163 E N 0.796 121.010 120.200 0.024 0.000 2.195 163 E HA 0.684 5.054 4.350 0.034 0.000 0.271 163 E C 0.115 176.524 176.600 -0.319 0.000 0.923 163 E CA -0.615 55.711 56.400 -0.123 0.000 0.790 163 E CB 2.401 32.035 29.700 -0.111 0.000 1.155 163 E HN 0.900 nan 8.360 nan 0.000 0.402 164 G N 0.214 108.439 108.800 -0.959 0.000 2.649 164 G HA2 0.501 4.481 3.960 0.034 0.000 0.290 164 G HA3 0.501 4.481 3.960 0.034 0.000 0.290 164 G C -1.731 172.750 174.900 -0.698 0.000 1.426 164 G CA -0.445 44.069 45.100 -0.978 0.000 0.794 164 G HN 0.588 nan 8.290 nan 0.000 0.483 165 C N 0.885 120.110 119.300 -0.125 0.000 2.727 165 C HA 0.782 5.262 4.460 0.034 0.000 0.369 165 C C -1.239 173.976 174.990 0.375 0.000 1.067 165 C CA -1.204 57.901 59.018 0.147 0.000 1.273 165 C CB -0.921 26.856 27.740 0.062 0.000 1.778 165 C HN 0.951 nan 8.230 nan 0.000 0.467 166 F N 3.875 123.958 119.950 0.222 0.000 2.599 166 F HA 0.797 5.344 4.527 0.034 0.000 0.311 166 F C -0.433 175.480 175.800 0.189 0.000 1.076 166 F CA -0.626 57.507 58.000 0.221 0.000 0.937 166 F CB 1.139 40.312 39.000 0.289 0.000 1.282 166 F HN 0.302 nan 8.300 nan 0.000 0.460 167 E N 3.364 123.545 120.200 -0.032 0.000 2.301 167 E HA 0.447 4.817 4.350 0.034 0.000 0.275 167 E C -0.825 175.632 176.600 -0.238 0.000 1.030 167 E CA -0.397 55.930 56.400 -0.122 0.000 0.852 167 E CB 2.469 32.186 29.700 0.029 0.000 1.060 167 E HN 0.665 nan 8.360 nan 0.000 0.401 168 I N 1.772 122.224 120.570 -0.197 0.000 2.448 168 I HA 0.240 4.430 4.170 0.034 0.000 0.281 168 I C 0.826 176.995 176.117 0.086 0.000 1.027 168 I CA -0.675 60.556 61.300 -0.116 0.000 1.111 168 I CB 1.760 39.690 38.000 -0.118 0.000 1.236 168 I HN 0.426 nan 8.210 nan 0.000 0.452 169 G N 3.725 112.582 108.800 0.094 0.000 2.712 169 G HA2 0.416 4.396 3.960 0.034 0.000 0.258 169 G HA3 0.416 4.396 3.960 0.034 0.000 0.258 169 G C 0.538 175.646 174.900 0.347 0.000 1.241 169 G CA 0.059 45.281 45.100 0.203 0.000 0.923 169 G HN 0.674 nan 8.290 nan 0.000 0.548 170 G N -1.845 107.162 108.800 0.345 0.000 2.504 170 G HA2 0.500 4.480 3.960 0.034 0.000 0.257 170 G HA3 0.500 4.480 3.960 0.034 0.000 0.257 170 G C -0.300 174.792 174.900 0.321 0.000 1.451 170 G CA -0.205 45.091 45.100 0.327 0.000 1.059 170 G HN 0.713 nan 8.290 nan 0.000 0.550 171 Q N -0.913 119.002 119.800 0.192 0.000 2.443 171 Q HA 0.232 4.592 4.340 0.034 0.000 0.241 171 Q C -1.540 174.572 176.000 0.188 0.000 0.880 171 Q CA -0.608 55.298 55.803 0.172 0.000 0.974 171 Q CB 1.875 30.464 28.738 -0.248 0.000 1.482 171 Q HN 0.563 nan 8.270 nan 0.000 0.448 172 E N 1.452 121.693 120.200 0.068 0.000 2.383 172 E HA 0.085 4.455 4.350 0.034 0.000 0.264 172 E C -0.101 176.577 176.600 0.129 0.000 1.050 172 E CA 0.618 56.948 56.400 -0.117 0.000 0.896 172 E CB 0.715 29.942 29.700 -0.789 0.000 0.982 172 E HN 0.650 nan 8.360 nan 0.000 0.424 173 H N 3.565 122.583 119.070 -0.087 0.000 2.333 173 H HA 0.054 4.630 4.556 0.035 0.000 0.302 173 H C 0.110 175.318 175.328 -0.199 0.000 1.075 173 H CA 1.492 57.346 56.048 -0.324 0.000 1.348 173 H CB -0.267 29.100 29.762 -0.658 0.000 1.393 173 H HN 0.679 nan 8.280 nan 0.000 0.509 174 F N 0.496 120.204 119.950 -0.404 0.000 3.067 174 F HA -0.274 4.275 4.527 0.035 0.000 0.279 174 F C -0.778 174.942 175.800 -0.134 0.000 0.945 174 F CA -0.488 57.360 58.000 -0.253 0.000 0.948 174 F CB -1.650 37.327 39.000 -0.038 0.000 0.898 174 F HN 0.149 nan 8.300 nan 0.000 0.746 175 Y N -0.357 120.067 120.300 0.207 0.000 2.610 175 Y HA 0.225 4.798 4.550 0.038 0.000 0.332 175 Y C 1.026 176.974 175.900 0.081 0.000 1.201 175 Y CA -1.318 56.938 58.100 0.260 0.000 1.465 175 Y CB 0.100 38.708 38.460 0.247 0.000 1.283 175 Y HN 0.094 nan 8.280 nan 0.000 0.563 176 L N 1.196 122.597 121.223 0.297 0.000 2.093 176 L HA -0.060 4.301 4.340 0.034 0.000 0.208 176 L C 1.119 178.013 176.870 0.041 0.000 1.085 176 L CA 1.295 56.213 54.840 0.130 0.000 0.755 176 L CB -0.418 41.703 42.059 0.104 0.000 0.904 176 L HN 0.831 nan 8.230 nan 0.000 0.435 177 E N 0.556 120.769 120.200 0.022 0.000 2.152 177 E HA 0.280 4.651 4.350 0.034 0.000 0.285 177 E C 0.136 176.717 176.600 -0.032 0.000 1.043 177 E CA -0.313 56.044 56.400 -0.071 0.000 0.839 177 E CB 1.139 30.748 29.700 -0.153 0.000 1.069 177 E HN 0.190 nan 8.360 nan 0.000 0.399 178 G N 3.329 112.125 108.800 -0.006 0.000 2.684 178 G HA2 -0.027 3.953 3.960 0.034 0.000 0.255 178 G HA3 -0.027 3.953 3.960 0.034 0.000 0.255 178 G C -0.023 174.769 174.900 -0.180 0.000 1.219 178 G CA -0.518 44.602 45.100 0.033 0.000 0.901 178 G HN 0.548 nan 8.290 nan 0.000 0.548 179 Q N -0.558 119.132 119.800 -0.185 0.000 2.286 179 Q HA 0.403 4.763 4.340 0.034 0.000 0.290 179 Q C 0.145 175.938 176.000 -0.344 0.000 1.049 179 Q CA 0.611 56.217 55.803 -0.328 0.000 0.923 179 Q CB 1.113 29.639 28.738 -0.353 0.000 1.183 179 Q HN 0.703 nan 8.270 nan 0.000 0.383 180 A N 1.111 123.772 122.820 -0.265 0.000 2.589 180 A HA 0.838 5.179 4.320 0.034 0.000 0.296 180 A C -1.596 175.911 177.584 -0.128 0.000 1.062 180 A CA 0.008 51.934 52.037 -0.186 0.000 0.686 180 A CB 1.841 20.770 19.000 -0.118 0.000 1.282 180 A HN 0.711 nan 8.150 nan 0.000 0.404 181 A N 0.487 123.250 122.820 -0.095 0.000 2.589 181 A HA 0.784 5.124 4.320 0.034 0.000 0.296 181 A C -1.850 175.727 177.584 -0.012 0.000 1.062 181 A CA -0.339 51.669 52.037 -0.048 0.000 0.686 181 A CB 1.375 20.335 19.000 -0.067 0.000 1.282 181 A HN 2.228 nan 8.150 nan 0.000 0.404 182 L N 1.321 122.563 121.223 0.031 0.000 2.410 182 L HA 0.902 5.262 4.340 0.034 0.000 0.270 182 L C -0.198 176.707 176.870 0.059 0.000 0.983 182 L CA -0.076 54.795 54.840 0.052 0.000 0.822 182 L CB 1.817 43.922 42.059 0.077 0.000 1.285 182 L HN 1.323 nan 8.230 nan 0.000 0.409 183 A N 5.783 128.618 122.820 0.025 0.000 2.317 183 A HA 0.838 5.178 4.320 0.034 0.000 0.327 183 A C -1.289 176.310 177.584 0.025 0.000 1.178 183 A CA -0.495 51.547 52.037 0.009 0.000 0.817 183 A CB 0.824 19.810 19.000 -0.024 0.000 1.189 183 A HN 0.720 nan 8.150 nan 0.000 0.489 184 L N 3.357 124.598 121.223 0.029 0.000 2.372 184 L HA 0.374 4.734 4.340 0.034 0.000 0.273 184 L C -2.446 174.429 176.870 0.009 0.000 0.989 184 L CA -1.780 53.080 54.840 0.033 0.000 0.841 184 L CB 2.545 44.650 42.059 0.077 0.000 1.225 184 L HN 0.424 nan 8.230 nan 0.000 0.414 185 P HA 0.082 nan 4.420 nan 0.000 0.241 185 P C -0.165 177.135 177.300 0.001 0.000 1.760 185 P CA -0.112 62.987 63.100 -0.001 0.000 1.081 185 P CB 0.321 32.022 31.700 0.002 0.000 1.975 186 A N 2.405 125.224 122.820 -0.002 0.000 2.444 186 A HA 0.061 4.401 4.320 0.034 0.000 0.287 186 A C 0.800 178.380 177.584 -0.007 0.000 1.195 186 A CA -0.230 51.806 52.037 -0.002 0.000 0.858 186 A CB -0.445 18.553 19.000 -0.003 0.000 1.117 186 A HN 0.286 nan 8.150 nan 0.000 0.521 187 E N 1.470 121.667 120.200 -0.004 0.000 3.326 187 E HA -0.065 4.305 4.350 0.034 0.000 0.285 187 E C 1.453 178.047 176.600 -0.009 0.000 0.864 187 E CA 2.077 58.475 56.400 -0.005 0.000 0.984 187 E CB 0.085 29.782 29.700 -0.004 0.000 0.952 187 E HN 1.496 nan 8.360 nan 0.000 0.525 188 G N 2.977 111.774 108.800 -0.005 0.000 5.219 188 G HA2 -0.293 3.687 3.960 0.034 0.000 0.267 188 G HA3 -0.293 3.687 3.960 0.034 0.000 0.267 188 G C 0.580 175.478 174.900 -0.003 0.000 1.495 188 G CA 0.566 45.663 45.100 -0.005 0.000 0.988 188 G HN 0.948 nan 8.290 nan 0.000 0.707 189 G N -0.496 108.298 108.800 -0.009 0.000 2.702 189 G HA2 0.825 4.805 3.960 0.034 0.000 0.254 189 G HA3 0.825 4.805 3.960 0.034 0.000 0.254 189 G C 0.012 174.900 174.900 -0.020 0.000 1.380 189 G CA 0.992 46.085 45.100 -0.012 0.000 1.042 189 G HN 1.843 nan 8.290 nan 0.000 0.557 190 V N -3.387 116.507 119.914 -0.034 0.000 3.074 190 V HA 0.845 4.985 4.120 0.034 0.000 0.314 190 V C -0.728 175.331 176.094 -0.058 0.000 1.117 190 V CA -1.026 61.250 62.300 -0.041 0.000 1.014 190 V CB 1.648 33.442 31.823 -0.048 0.000 1.057 190 V HN 0.548 nan 8.190 nan 0.000 0.438 191 V N 3.290 123.168 119.914 -0.060 0.000 2.487 191 V HA 0.561 4.701 4.120 0.034 0.000 0.298 191 V C -0.642 175.368 176.094 -0.140 0.000 1.028 191 V CA -0.365 61.869 62.300 -0.111 0.000 0.860 191 V CB 1.500 33.271 31.823 -0.086 0.000 0.991 191 V HN 0.732 nan 8.190 nan 0.000 0.427 192 I N 4.116 124.558 120.570 -0.213 0.000 2.378 192 I HA 0.491 4.681 4.170 0.034 0.000 0.291 192 I C -0.241 175.693 176.117 -0.305 0.000 0.992 192 I CA -0.441 60.754 61.300 -0.174 0.000 1.154 192 I CB 1.400 39.328 38.000 -0.120 0.000 1.315 192 I HN 0.583 nan 8.210 nan 0.000 0.448 193 H N 5.399 124.448 119.070 -0.035 0.000 2.476 193 H HA 0.579 5.128 4.556 -0.011 0.000 0.328 193 H C -0.454 174.851 175.328 -0.038 0.000 1.073 193 H CA -0.317 55.712 56.048 -0.032 0.000 1.229 193 H CB 2.314 32.061 29.762 -0.024 0.000 1.432 193 H HN 0.809 nan 8.280 nan 0.000 0.477 194 C N 0.788 120.119 119.300 0.051 0.000 3.171 194 C HA 0.294 4.774 4.460 0.034 0.000 0.336 194 C C 0.853 175.835 174.990 -0.012 0.000 1.198 194 C CA -1.171 57.847 59.018 0.000 0.000 1.319 194 C CB 1.168 28.887 27.740 -0.036 0.000 1.682 194 C HN 0.753 nan 8.230 nan 0.000 0.497 195 S N 1.879 117.554 115.700 -0.041 0.000 4.117 195 S HA 0.367 4.857 4.470 0.034 0.000 0.191 195 S C 0.283 174.829 174.600 -0.090 0.000 1.308 195 S CA 0.433 58.598 58.200 -0.058 0.000 0.906 195 S CB -1.073 62.071 63.200 -0.094 0.000 1.565 195 S HN 1.097 nan 8.310 nan 0.000 0.439 196 S N 2.328 117.997 115.700 -0.051 0.000 2.500 196 S HA 0.372 4.862 4.470 0.034 0.000 0.301 196 S C 0.786 175.381 174.600 -0.010 0.000 1.092 196 S CA -0.678 57.498 58.200 -0.040 0.000 1.030 196 S CB 1.473 64.659 63.200 -0.023 0.000 1.031 196 S HN 0.683 nan 8.310 nan 0.000 0.483 197 Q N 1.719 121.517 119.800 -0.002 0.000 2.437 197 Q HA -0.005 4.355 4.340 0.034 0.000 0.210 197 Q C 0.039 176.090 176.000 0.085 0.000 0.972 197 Q CA 0.934 56.748 55.803 0.019 0.000 0.903 197 Q CB -0.008 28.737 28.738 0.012 0.000 0.967 197 Q HN 0.786 nan 8.270 nan 0.000 0.486 198 H N -1.077 117.983 119.070 -0.018 0.000 2.538 198 H HA 0.145 4.720 4.556 0.032 0.000 0.239 198 H C -2.251 173.065 175.328 -0.020 0.000 1.401 198 H CA -2.101 53.940 56.048 -0.012 0.000 1.499 198 H CB 1.262 31.017 29.762 -0.012 0.000 1.624 198 H HN -0.048 nan 8.280 nan 0.000 0.524 199 P HA -0.133 nan 4.420 nan 0.000 0.216 199 P C 1.454 178.770 177.300 0.025 0.000 1.150 199 P CA 1.023 64.157 63.100 0.057 0.000 0.837 199 P CB 0.383 32.106 31.700 0.039 0.000 0.786 200 S N -0.989 114.798 115.700 0.144 0.000 2.447 200 S HA -0.148 4.342 4.470 0.034 0.000 0.233 200 S C 1.879 176.412 174.600 -0.112 0.000 1.006 200 S CA 0.904 59.146 58.200 0.070 0.000 0.957 200 S CB -0.526 62.794 63.200 0.200 0.000 0.773 200 S HN 0.310 nan 8.310 nan 0.000 0.507 201 E N 0.572 120.478 120.200 -0.489 0.000 2.170 201 E HA -0.025 4.345 4.350 0.034 0.000 0.191 201 E C 1.741 178.191 176.600 -0.251 0.000 0.981 201 E CA 0.488 56.580 56.400 -0.512 0.000 0.830 201 E CB 0.045 29.177 29.700 -0.947 0.000 0.775 201 E HN 0.314 nan 8.360 nan 0.000 0.470 202 I N 1.618 122.055 120.570 -0.222 0.000 2.163 202 I HA -0.304 3.886 4.170 0.034 0.000 0.243 202 I C 2.601 178.619 176.117 -0.166 0.000 1.085 202 I CA 1.479 62.694 61.300 -0.142 0.000 1.347 202 I CB -1.410 36.528 38.000 -0.104 0.000 1.044 202 I HN 0.370 nan 8.210 nan 0.000 0.408 203 Q N 0.356 120.042 119.800 -0.190 0.000 2.014 203 Q HA -0.314 4.046 4.340 0.034 0.000 0.207 203 Q C 2.395 178.089 176.000 -0.509 0.000 0.993 203 Q CA 2.435 58.065 55.803 -0.288 0.000 0.850 203 Q CB -0.317 28.280 28.738 -0.234 0.000 0.916 203 Q HN 0.583 nan 8.270 nan 0.000 0.417 204 H N 0.059 118.749 119.070 -0.634 0.000 2.289 204 H HA -0.151 4.424 4.556 0.032 0.000 0.294 204 H C 1.960 176.996 175.328 -0.487 0.000 1.095 204 H CA 2.311 57.895 56.048 -0.774 0.000 1.256 204 H CB 0.237 29.869 29.762 -0.217 0.000 1.359 204 H HN 0.056 nan 8.280 nan 0.000 0.487 205 K N -0.065 120.293 120.400 -0.069 0.000 2.057 205 K HA -0.060 4.280 4.320 0.034 0.000 0.206 205 K C 2.404 178.951 176.600 -0.089 0.000 1.050 205 K CA 1.031 57.320 56.287 0.003 0.000 0.935 205 K CB -0.500 32.010 32.500 0.017 0.000 0.715 205 K HN 0.244 nan 8.250 nan 0.000 0.439 206 V N 1.698 121.515 119.914 -0.162 0.000 2.270 206 V HA -0.234 3.906 4.120 0.034 0.000 0.245 206 V C 2.487 178.465 176.094 -0.192 0.000 1.043 206 V CA 1.875 64.086 62.300 -0.148 0.000 1.014 206 V CB -0.839 30.893 31.823 -0.150 0.000 0.645 206 V HN 0.276 nan 8.190 nan 0.000 0.447 207 A N -0.529 122.078 122.820 -0.354 0.000 1.884 207 A HA -0.357 3.983 4.320 0.034 0.000 0.219 207 A C 1.993 179.414 177.584 -0.272 0.000 1.197 207 A CA 2.703 54.496 52.037 -0.407 0.000 0.637 207 A CB -1.132 17.388 19.000 -0.800 0.000 0.827 207 A HN 0.747 nan 8.150 nan 0.000 0.450 208 H N -1.088 117.855 119.070 -0.212 0.000 2.387 208 H HA 0.036 4.613 4.556 0.036 0.000 0.299 208 H C 2.445 177.737 175.328 -0.060 0.000 1.090 208 H CA 0.975 56.947 56.048 -0.127 0.000 1.332 208 H CB -0.029 29.661 29.762 -0.120 0.000 1.386 208 H HN 0.576 nan 8.280 nan 0.000 0.516 209 A N 0.502 123.367 122.820 0.074 0.000 1.969 209 A HA -0.073 4.268 4.320 0.034 0.000 0.218 209 A C 2.156 179.805 177.584 0.108 0.000 1.169 209 A CA 1.028 53.116 52.037 0.085 0.000 0.635 209 A CB -0.297 18.724 19.000 0.034 0.000 0.810 209 A HN 0.316 nan 8.150 nan 0.000 0.445 210 L N -1.940 119.293 121.223 0.017 0.000 2.354 210 L HA 0.218 4.578 4.340 0.034 0.000 0.212 210 L C 1.583 178.366 176.870 -0.146 0.000 1.091 210 L CA 0.621 55.471 54.840 0.016 0.000 0.828 210 L CB -0.228 41.811 42.059 -0.033 0.000 0.973 210 L HN 0.561 nan 8.230 nan 0.000 0.461 211 G N 1.517 110.114 108.800 -0.338 0.000 2.204 211 G HA2 -0.225 3.755 3.960 0.034 0.000 0.244 211 G HA3 -0.225 3.755 3.960 0.034 0.000 0.244 211 G C -0.199 174.527 174.900 -0.289 0.000 1.062 211 G CA 0.158 44.879 45.100 -0.631 0.000 0.798 211 G HN 0.286 nan 8.290 nan 0.000 0.496 212 L N -2.184 118.945 121.223 -0.157 0.000 2.354 212 L HA 0.974 5.334 4.340 0.034 0.000 0.269 212 L C 0.746 177.590 176.870 -0.043 0.000 1.005 212 L CA -0.963 53.836 54.840 -0.070 0.000 0.819 212 L CB 1.541 43.583 42.059 -0.028 0.000 1.311 212 L HN 0.468 nan 8.230 nan 0.000 0.423 213 A N 0.905 123.708 122.820 -0.030 0.000 2.507 213 A HA 0.275 4.615 4.320 0.034 0.000 0.235 213 A C 0.746 178.330 177.584 0.000 0.000 1.070 213 A CA -0.023 51.961 52.037 -0.089 0.000 0.768 213 A CB -0.176 18.599 19.000 -0.375 0.000 1.011 213 A HN 0.682 nan 8.150 nan 0.000 0.502 214 F N 0.821 120.595 119.950 -0.294 0.000 2.236 214 F HA -0.214 4.335 4.527 0.037 0.000 0.302 214 F C 2.318 178.084 175.800 -0.057 0.000 1.073 214 F CA 2.160 60.049 58.000 -0.184 0.000 1.336 214 F CB -0.962 37.940 39.000 -0.164 0.000 1.040 214 F HN 0.873 nan 8.300 nan 0.000 0.507 215 H N -2.811 116.329 119.070 0.117 0.000 2.567 215 H HA -0.002 4.574 4.556 0.033 0.000 0.276 215 H C 0.684 176.016 175.328 0.006 0.000 1.016 215 H CA 0.762 56.838 56.048 0.047 0.000 1.186 215 H CB -0.177 29.603 29.762 0.029 0.000 1.351 215 H HN 0.183 nan 8.280 nan 0.000 0.605 216 D N 1.255 121.830 120.400 0.290 0.000 2.369 216 D HA 0.132 4.792 4.640 0.034 0.000 0.211 216 D C -0.204 176.104 176.300 0.013 0.000 1.077 216 D CA 0.115 54.187 54.000 0.120 0.000 0.842 216 D CB 1.187 42.066 40.800 0.131 0.000 0.947 216 D HN 0.148 nan 8.370 nan 0.000 0.509 217 V N 1.633 121.532 119.914 -0.025 0.000 2.409 217 V HA 0.340 4.480 4.120 0.034 0.000 0.291 217 V C 0.068 176.110 176.094 -0.087 0.000 1.020 217 V CA -0.806 61.439 62.300 -0.092 0.000 0.848 217 V CB 2.439 34.154 31.823 -0.180 0.000 0.990 217 V HN -0.102 nan 8.190 nan 0.000 0.430 218 R N 4.060 124.507 120.500 -0.089 0.000 2.437 218 R HA 0.749 5.109 4.340 0.034 0.000 0.310 218 R C -1.899 174.318 176.300 -0.137 0.000 0.955 218 R CA -0.394 55.651 56.100 -0.090 0.000 0.851 218 R CB 2.041 32.297 30.300 -0.073 0.000 1.161 218 R HN 0.506 nan 8.270 nan 0.000 0.446 219 V N 4.291 124.131 119.914 -0.125 0.000 2.409 219 V HA 0.360 4.500 4.120 0.034 0.000 0.291 219 V C -0.347 175.665 176.094 -0.137 0.000 1.020 219 V CA -0.726 61.486 62.300 -0.146 0.000 0.848 219 V CB 1.562 33.323 31.823 -0.104 0.000 0.990 219 V HN 0.800 nan 8.190 nan 0.000 0.430 220 E N 4.555 124.628 120.200 -0.210 0.000 2.202 220 E HA 0.686 5.056 4.350 0.034 0.000 0.272 220 E C -0.871 175.708 176.600 -0.035 0.000 0.951 220 E CA -0.891 55.436 56.400 -0.122 0.000 0.813 220 E CB 2.099 31.720 29.700 -0.133 0.000 1.151 220 E HN 0.375 nan 8.360 nan 0.000 0.398 221 M N 2.907 122.512 119.600 0.008 0.000 2.272 221 M HA 0.197 4.697 4.480 0.034 0.000 0.240 221 M C -0.476 175.844 176.300 0.033 0.000 0.991 221 M CA -0.360 54.956 55.300 0.026 0.000 1.008 221 M CB 1.398 34.005 32.600 0.011 0.000 2.221 221 M HN 0.407 nan 8.290 nan 0.000 0.469 222 R N 2.819 123.340 120.500 0.035 0.000 2.075 222 R HA 0.302 4.662 4.340 0.034 0.000 0.220 222 R C 0.263 176.590 176.300 0.045 0.000 1.118 222 R CA 1.325 57.441 56.100 0.026 0.000 0.986 222 R CB 0.444 30.736 30.300 -0.013 0.000 0.884 222 R HN 0.785 nan 8.270 nan 0.000 0.439 223 R N -2.294 118.208 120.500 0.003 0.000 2.762 223 R HA 0.538 4.898 4.340 0.034 0.000 0.271 223 R C -1.001 175.329 176.300 0.051 0.000 1.038 223 R CA -0.766 55.341 56.100 0.011 0.000 0.906 223 R CB 1.162 31.424 30.300 -0.064 0.000 1.259 223 R HN -0.122 nan 8.270 nan 0.000 0.457 224 M N -0.344 119.319 119.600 0.104 0.000 2.593 224 M HA 0.421 4.921 4.480 0.034 0.000 0.290 224 M C 0.256 176.688 176.300 0.221 0.000 1.244 224 M CA -0.745 54.631 55.300 0.126 0.000 0.857 224 M CB 2.722 35.316 32.600 -0.011 0.000 1.738 224 M HN 0.950 nan 8.290 nan 0.000 0.461 225 G N 0.487 109.362 108.800 0.126 0.000 3.496 225 G HA2 0.527 4.507 3.960 0.034 0.000 0.273 225 G HA3 0.527 4.507 3.960 0.034 0.000 0.273 225 G C 0.235 175.206 174.900 0.118 0.000 1.279 225 G CA 0.271 45.394 45.100 0.039 0.000 1.041 225 G HN 1.084 nan 8.290 nan 0.000 0.539 226 G N -2.215 106.628 108.800 0.072 0.000 2.592 226 G HA2 0.431 4.411 3.960 0.034 0.000 0.685 226 G HA3 0.431 4.411 3.960 0.034 0.000 0.685 226 G C 0.341 175.196 174.900 -0.075 0.000 1.278 226 G CA -0.320 44.806 45.100 0.042 0.000 0.822 226 G HN 0.955 nan 8.290 nan 0.000 0.652 227 G N -0.793 107.752 108.800 -0.426 0.000 2.604 227 G HA2 0.537 4.517 3.960 0.034 0.000 0.202 227 G HA3 0.537 4.517 3.960 0.034 0.000 0.202 227 G C 0.952 175.873 174.900 0.035 0.000 1.212 227 G CA 0.945 45.940 45.100 -0.175 0.000 0.627 227 G HN 1.643 nan 8.290 nan 0.000 0.850 228 F N 0.821 120.824 119.950 0.088 0.000 3.059 228 F HA -0.215 4.333 4.527 0.035 0.000 0.290 228 F C 1.987 177.780 175.800 -0.011 0.000 0.786 228 F CA 1.144 59.167 58.000 0.039 0.000 1.060 228 F CB -1.422 37.565 39.000 -0.022 0.000 1.327 228 F HN 1.138 nan 8.300 nan 0.000 0.409 229 G N -1.381 107.506 108.800 0.145 0.000 2.259 229 G HA2 -0.149 3.831 3.960 0.034 0.000 0.217 229 G HA3 -0.149 3.831 3.960 0.034 0.000 0.217 229 G C 1.167 176.080 174.900 0.022 0.000 1.001 229 G CA 0.203 45.412 45.100 0.181 0.000 0.627 229 G HN 1.100 nan 8.290 nan 0.000 0.501 230 G N 0.695 109.274 108.800 -0.367 0.000 2.402 230 G HA2 -0.009 3.971 3.960 0.034 0.000 0.216 230 G HA3 -0.009 3.971 3.960 0.034 0.000 0.216 230 G C 1.438 176.237 174.900 -0.168 0.000 1.162 230 G CA 1.475 46.189 45.100 -0.643 0.000 0.777 230 G HN 0.504 nan 8.290 nan 0.000 0.539 231 K N 0.430 120.757 120.400 -0.121 0.000 2.444 231 K HA 0.098 4.438 4.320 0.034 0.000 0.193 231 K C 1.877 178.465 176.600 -0.020 0.000 1.024 231 K CA -0.017 56.202 56.287 -0.115 0.000 1.077 231 K CB 0.349 32.745 32.500 -0.173 0.000 0.833 231 K HN 0.403 nan 8.250 nan 0.000 0.517 232 Q N 0.884 120.699 119.800 0.025 0.000 2.472 232 Q HA -0.070 4.290 4.340 0.034 0.000 0.208 232 Q C 0.964 177.039 176.000 0.125 0.000 0.958 232 Q CA 1.072 56.933 55.803 0.098 0.000 0.932 232 Q CB 0.398 29.213 28.738 0.129 0.000 1.007 232 Q HN 0.379 nan 8.270 nan 0.000 0.508 233 S N -3.083 112.666 115.700 0.082 0.000 3.324 233 S HA -0.018 4.472 4.470 0.034 0.000 0.229 233 S C 1.049 175.705 174.600 0.095 0.000 1.043 233 S CA -0.397 57.852 58.200 0.082 0.000 1.107 233 S CB -0.302 62.958 63.200 0.099 0.000 1.057 233 S HN 0.098 nan 8.310 nan 0.000 0.418 234 Q N 2.282 122.139 119.800 0.095 0.000 2.594 234 Q HA 0.288 4.648 4.340 0.034 0.000 0.219 234 Q C 1.583 177.663 176.000 0.134 0.000 0.980 234 Q CA 0.966 56.858 55.803 0.148 0.000 0.962 234 Q CB -0.732 28.078 28.738 0.119 0.000 0.987 234 Q HN 0.775 nan 8.270 nan 0.000 0.553 235 G N -0.058 108.781 108.800 0.066 0.000 2.408 235 G HA2 -0.228 3.752 3.960 0.034 0.000 0.215 235 G HA3 -0.228 3.752 3.960 0.034 0.000 0.215 235 G C 0.992 175.933 174.900 0.069 0.000 1.156 235 G CA 0.448 45.559 45.100 0.018 0.000 0.793 235 G HN 0.444 nan 8.290 nan 0.000 0.535 236 N N 0.315 119.071 118.700 0.092 0.000 2.096 236 N HA -0.223 4.537 4.740 0.034 0.000 0.195 236 N C 1.885 177.446 175.510 0.085 0.000 1.017 236 N CA 1.553 54.637 53.050 0.057 0.000 0.870 236 N CB -0.353 38.153 38.487 0.031 0.000 1.024 236 N HN 0.409 nan 8.380 nan 0.000 0.434 237 H N 0.013 119.173 119.070 0.151 0.000 2.319 237 H HA -0.068 4.508 4.556 0.033 0.000 0.299 237 H C 1.881 177.375 175.328 0.276 0.000 1.092 237 H CA 1.348 57.560 56.048 0.274 0.000 1.302 237 H CB -0.192 29.817 29.762 0.412 0.000 1.373 237 H HN 0.125 nan 8.280 nan 0.000 0.497 238 L N -0.389 120.975 121.223 0.235 0.000 2.131 238 L HA 0.007 4.367 4.340 0.034 0.000 0.206 238 L C 2.628 179.486 176.870 -0.021 0.000 1.087 238 L CA 1.338 56.182 54.840 0.007 0.000 0.767 238 L CB -0.626 41.319 42.059 -0.190 0.000 0.917 238 L HN 0.270 nan 8.230 nan 0.000 0.441 239 A N -0.254 122.559 122.820 -0.010 0.000 1.969 239 A HA -0.083 4.258 4.320 0.034 0.000 0.218 239 A C 2.304 179.869 177.584 -0.032 0.000 1.169 239 A CA 1.342 53.358 52.037 -0.035 0.000 0.635 239 A CB -0.663 18.310 19.000 -0.045 0.000 0.810 239 A HN 0.356 nan 8.150 nan 0.000 0.445 240 I N -0.340 120.227 120.570 -0.005 0.000 2.163 240 I HA -0.224 3.966 4.170 0.034 0.000 0.240 240 I C 2.990 179.099 176.117 -0.012 0.000 1.081 240 I CA 0.989 62.283 61.300 -0.009 0.000 1.353 240 I CB -0.391 37.610 38.000 0.001 0.000 1.054 240 I HN 0.321 nan 8.210 nan 0.000 0.407 241 A N -0.022 122.818 122.820 0.034 0.000 1.917 241 A HA -0.274 4.067 4.320 0.034 0.000 0.219 241 A C 2.458 179.977 177.584 -0.108 0.000 1.182 241 A CA 2.128 54.157 52.037 -0.013 0.000 0.633 241 A CB -1.351 17.639 19.000 -0.018 0.000 0.819 241 A HN 0.560 nan 8.150 nan 0.000 0.448 242 C N -1.378 117.870 119.300 -0.086 0.000 2.453 242 C HA 0.086 4.567 4.460 0.034 0.000 0.277 242 C C 3.356 178.296 174.990 -0.084 0.000 1.262 242 C CA 0.893 59.860 59.018 -0.084 0.000 1.718 242 C CB -1.268 26.436 27.740 -0.060 0.000 2.031 242 C HN 0.712 nan 8.230 nan 0.000 0.480 243 A N -0.064 122.711 122.820 -0.075 0.000 1.969 243 A HA -0.042 4.298 4.320 0.034 0.000 0.218 243 A C 2.204 179.741 177.584 -0.079 0.000 1.169 243 A CA 1.828 53.824 52.037 -0.067 0.000 0.635 243 A CB -0.537 18.425 19.000 -0.064 0.000 0.810 243 A HN 0.388 nan 8.150 nan 0.000 0.445 244 V N -0.339 119.505 119.914 -0.116 0.000 2.379 244 V HA -0.170 3.970 4.120 0.034 0.000 0.245 244 V C 2.970 178.898 176.094 -0.277 0.000 1.044 244 V CA 1.792 63.995 62.300 -0.162 0.000 1.036 244 V CB -1.060 30.652 31.823 -0.185 0.000 0.664 244 V HN 0.579 nan 8.190 nan 0.000 0.453 245 A N -0.070 122.535 122.820 -0.359 0.000 1.929 245 A HA 0.057 4.397 4.320 0.034 0.000 0.216 245 A C 2.410 179.955 177.584 -0.066 0.000 1.176 245 A CA 1.637 53.475 52.037 -0.331 0.000 0.628 245 A CB -0.639 18.200 19.000 -0.268 0.000 0.816 245 A HN 0.514 nan 8.150 nan 0.000 0.444 246 A N 0.190 122.972 122.820 -0.063 0.000 1.865 246 A HA -0.207 4.133 4.320 0.034 0.000 0.217 246 A C 2.245 179.830 177.584 0.002 0.000 1.191 246 A CA 1.892 53.917 52.037 -0.020 0.000 0.623 246 A CB -0.622 18.362 19.000 -0.027 0.000 0.826 246 A HN 0.552 nan 8.150 nan 0.000 0.444 247 R N -0.419 120.077 120.500 -0.006 0.000 2.113 247 R HA -0.199 4.162 4.340 0.034 0.000 0.244 247 R C 2.261 178.592 176.300 0.052 0.000 1.142 247 R CA 1.916 58.027 56.100 0.019 0.000 0.953 247 R CB -0.449 29.863 30.300 0.019 0.000 0.860 247 R HN 0.464 nan 8.270 nan 0.000 0.438 248 A N -0.237 122.632 122.820 0.081 0.000 1.872 248 A HA -0.112 4.228 4.320 0.034 0.000 0.214 248 A C 2.144 179.815 177.584 0.145 0.000 1.187 248 A CA 1.804 53.938 52.037 0.161 0.000 0.614 248 A CB -0.743 18.464 19.000 0.345 0.000 0.826 248 A HN 0.634 nan 8.150 nan 0.000 0.442 249 T N -4.216 110.424 114.554 0.143 0.000 3.129 249 T HA 0.374 4.744 4.350 0.034 0.000 0.251 249 T C 1.511 176.245 174.700 0.057 0.000 1.117 249 T CA 1.103 63.266 62.100 0.106 0.000 1.034 249 T CB -0.036 68.901 68.868 0.115 0.000 0.968 249 T HN 1.657 nan 8.240 nan 0.000 0.526 250 G N 1.921 110.749 108.800 0.047 0.000 2.228 250 G HA2 -0.310 3.670 3.960 0.034 0.000 0.270 250 G HA3 -0.310 3.670 3.960 0.034 0.000 0.270 250 G C 0.334 175.245 174.900 0.017 0.000 0.976 250 G CA 0.417 45.534 45.100 0.028 0.000 0.636 250 G HN 0.681 nan 8.290 nan 0.000 0.542 251 R N 0.749 121.259 120.500 0.015 0.000 2.596 251 R HA 0.470 4.830 4.340 0.034 0.000 0.267 251 R C -2.559 173.736 176.300 -0.008 0.000 1.026 251 R CA -1.843 54.258 56.100 0.000 0.000 1.087 251 R CB 0.948 31.244 30.300 -0.007 0.000 1.132 251 R HN 0.100 nan 8.270 nan 0.000 0.531 252 P HA 0.119 nan 4.420 nan 0.000 0.276 252 P C -0.626 176.650 177.300 -0.040 0.000 1.235 252 P CA -0.192 62.897 63.100 -0.018 0.000 0.772 252 P CB 0.542 32.234 31.700 -0.012 0.000 0.871 253 C N 4.723 124.004 119.300 -0.033 0.000 2.345 253 C HA 0.497 4.977 4.460 0.034 0.000 0.323 253 C C 0.464 175.441 174.990 -0.021 0.000 1.276 253 C CA -0.380 58.611 59.018 -0.045 0.000 1.543 253 C CB 0.886 28.600 27.740 -0.043 0.000 2.211 253 C HN 0.557 nan 8.230 nan 0.000 0.493 254 K N 3.833 124.235 120.400 0.003 0.000 2.203 254 K HA 0.809 5.149 4.320 0.034 0.000 0.251 254 K C -1.321 175.326 176.600 0.078 0.000 0.944 254 K CA -0.438 55.887 56.287 0.063 0.000 0.829 254 K CB 1.523 34.111 32.500 0.148 0.000 1.125 254 K HN 0.873 nan 8.250 nan 0.000 0.430 255 M N 3.943 123.554 119.600 0.018 0.000 2.324 255 M HA 0.369 4.869 4.480 0.034 0.000 0.288 255 M C -1.898 174.363 176.300 -0.066 0.000 1.097 255 M CA -0.646 54.643 55.300 -0.018 0.000 0.928 255 M CB 1.900 34.419 32.600 -0.134 0.000 1.648 255 M HN 0.776 nan 8.290 nan 0.000 0.460 256 R N 3.387 123.891 120.500 0.006 0.000 2.564 256 R HA 0.501 4.861 4.340 0.034 0.000 0.284 256 R C -2.016 174.361 176.300 0.129 0.000 1.031 256 R CA -0.730 55.339 56.100 -0.051 0.000 0.904 256 R CB 0.881 31.138 30.300 -0.072 0.000 1.199 256 R HN 0.606 nan 8.270 nan 0.000 0.443 257 Y N 1.412 121.747 120.300 0.059 0.000 2.480 257 Y HA 0.047 4.621 4.550 0.039 0.000 0.338 257 Y C 0.460 176.409 175.900 0.082 0.000 1.220 257 Y CA -0.487 57.662 58.100 0.082 0.000 1.430 257 Y CB 0.690 39.198 38.460 0.079 0.000 1.311 257 Y HN 0.510 nan 8.280 nan 0.000 0.575 258 D N 0.913 121.476 120.400 0.271 0.000 2.312 258 D HA 0.105 4.765 4.640 0.034 0.000 0.248 258 D C 1.061 177.432 176.300 0.118 0.000 1.086 258 D CA -0.416 53.679 54.000 0.158 0.000 0.948 258 D CB 1.076 41.966 40.800 0.149 0.000 1.162 258 D HN 0.443 nan 8.370 nan 0.000 0.446 259 R N 0.801 121.335 120.500 0.057 0.000 2.119 259 R HA -0.200 4.160 4.340 0.034 0.000 0.246 259 R C 0.945 177.266 176.300 0.035 0.000 1.146 259 R CA 1.800 57.902 56.100 0.004 0.000 0.962 259 R CB -0.154 30.114 30.300 -0.053 0.000 0.863 259 R HN 0.370 nan 8.270 nan 0.000 0.442 260 D N -0.153 120.293 120.400 0.076 0.000 2.097 260 D HA -0.132 4.529 4.640 0.034 0.000 0.195 260 D C 1.383 177.708 176.300 0.041 0.000 0.989 260 D CA 1.469 55.546 54.000 0.127 0.000 0.827 260 D CB -0.300 40.585 40.800 0.143 0.000 0.966 260 D HN 0.242 nan 8.370 nan 0.000 0.456 261 D N 0.190 120.592 120.400 0.003 0.000 2.084 261 D HA -0.140 4.520 4.640 0.034 0.000 0.194 261 D C 1.691 177.869 176.300 -0.204 0.000 0.990 261 D CA 0.763 54.699 54.000 -0.108 0.000 0.826 261 D CB -0.350 40.393 40.800 -0.095 0.000 0.971 261 D HN 0.178 nan 8.370 nan 0.000 0.453 262 D N -0.067 120.274 120.400 -0.098 0.000 2.127 262 D HA -0.170 4.490 4.640 0.034 0.000 0.190 262 D C 2.154 178.439 176.300 -0.025 0.000 1.000 262 D CA 1.124 55.118 54.000 -0.009 0.000 0.839 262 D CB -0.015 40.893 40.800 0.180 0.000 0.955 262 D HN 0.210 nan 8.370 nan 0.000 0.446 263 M N -0.169 119.420 119.600 -0.018 0.000 2.229 263 M HA -0.121 4.379 4.480 0.034 0.000 0.264 263 M C 2.364 178.673 176.300 0.015 0.000 1.063 263 M CA 0.562 55.852 55.300 -0.016 0.000 1.114 263 M CB 0.093 32.680 32.600 -0.022 0.000 1.387 263 M HN -0.079 nan 8.290 nan 0.000 0.420 264 V N 0.640 120.555 119.914 0.003 0.000 2.323 264 V HA -0.217 3.923 4.120 0.034 0.000 0.244 264 V C 2.146 178.311 176.094 0.120 0.000 1.041 264 V CA 1.647 63.964 62.300 0.028 0.000 1.025 264 V CB -0.384 31.395 31.823 -0.072 0.000 0.656 264 V HN 0.397 nan 8.190 nan 0.000 0.451 265 I N -0.395 120.173 120.570 -0.002 0.000 2.193 265 I HA -0.084 4.106 4.170 0.034 0.000 0.240 265 I C 1.515 177.687 176.117 0.092 0.000 1.084 265 I CA 1.443 62.765 61.300 0.035 0.000 1.365 265 I CB -0.259 37.578 38.000 -0.272 0.000 1.064 265 I HN 0.344 nan 8.210 nan 0.000 0.410 266 T N 0.184 114.750 114.554 0.021 0.000 2.929 266 T HA 0.558 4.929 4.350 0.034 0.000 0.284 266 T C 0.114 174.846 174.700 0.054 0.000 1.014 266 T CA -0.563 61.569 62.100 0.055 0.000 1.051 266 T CB 1.418 70.373 68.868 0.145 0.000 1.028 266 T HN 0.256 nan 8.240 nan 0.000 0.485 267 G N 2.427 111.251 108.800 0.039 0.000 2.476 267 G HA2 0.573 4.553 3.960 0.034 0.000 0.286 267 G HA3 0.573 4.553 3.960 0.034 0.000 0.286 267 G C -0.682 174.295 174.900 0.128 0.000 1.177 267 G CA -0.635 44.489 45.100 0.040 0.000 0.870 267 G HN 0.758 nan 8.290 nan 0.000 0.528 268 K N -0.376 120.107 120.400 0.139 0.000 2.401 268 K HA 0.488 4.828 4.320 0.034 0.000 0.255 268 K C 0.385 177.096 176.600 0.186 0.000 1.062 268 K CA -0.887 55.540 56.287 0.234 0.000 0.999 268 K CB 0.644 33.252 32.500 0.181 0.000 1.415 268 K HN 0.369 nan 8.250 nan 0.000 0.576 269 R N 1.326 121.943 120.500 0.195 0.000 2.347 269 R HA 0.077 4.437 4.340 0.034 0.000 0.304 269 R C -0.743 175.617 176.300 0.100 0.000 1.072 269 R CA -0.168 55.993 56.100 0.102 0.000 0.980 269 R CB -0.079 30.110 30.300 -0.185 0.000 0.986 269 R HN 0.509 nan 8.270 nan 0.000 0.448 270 H N 3.002 122.134 119.070 0.104 0.000 3.237 270 H HA -0.087 4.489 4.556 0.033 0.000 0.270 270 H C -0.185 175.322 175.328 0.299 0.000 0.900 270 H CA 0.752 56.910 56.048 0.184 0.000 1.415 270 H CB 0.014 29.936 29.762 0.267 0.000 1.484 270 H HN 0.489 nan 8.280 nan 0.000 0.540 271 D N 3.617 124.210 120.400 0.322 0.000 2.382 271 D HA 0.096 4.756 4.640 0.034 0.000 0.245 271 D C -0.023 176.481 176.300 0.340 0.000 1.120 271 D CA 0.010 54.209 54.000 0.331 0.000 0.890 271 D CB 0.861 41.809 40.800 0.246 0.000 1.201 271 D HN 0.300 nan 8.370 nan 0.000 0.433 272 F N -0.194 119.775 119.950 0.031 0.000 2.579 272 F HA 0.431 4.978 4.527 0.033 0.000 0.324 272 F C 0.824 176.582 175.800 -0.070 0.000 1.058 272 F CA -1.209 56.774 58.000 -0.027 0.000 0.944 272 F CB 2.425 41.371 39.000 -0.091 0.000 1.245 272 F HN 0.029 nan 8.300 nan 0.000 0.477 273 R N 2.844 123.381 120.500 0.063 0.000 2.534 273 R HA 0.642 5.002 4.340 0.034 0.000 0.301 273 R C -1.688 174.684 176.300 0.119 0.000 0.961 273 R CA -0.527 55.583 56.100 0.017 0.000 0.871 273 R CB 1.421 31.727 30.300 0.009 0.000 1.170 273 R HN 0.658 nan 8.270 nan 0.000 0.446 274 I N 4.320 124.938 120.570 0.080 0.000 2.418 274 I HA 0.363 4.553 4.170 0.034 0.000 0.287 274 I C -0.132 176.247 176.117 0.438 0.000 1.008 274 I CA -0.758 60.747 61.300 0.342 0.000 1.104 274 I CB 1.872 40.132 38.000 0.433 0.000 1.264 274 I HN 0.417 nan 8.210 nan 0.000 0.438 275 R N 7.166 127.893 120.500 0.380 0.000 2.294 275 R HA 0.459 4.819 4.340 0.034 0.000 0.319 275 R C -1.712 174.806 176.300 0.364 0.000 0.984 275 R CA -0.403 55.853 56.100 0.261 0.000 0.861 275 R CB 1.064 31.446 30.300 0.137 0.000 1.104 275 R HN 0.580 nan 8.270 nan 0.000 0.451 276 Y N 0.900 121.341 120.300 0.236 0.000 2.425 276 Y HA 0.557 5.127 4.550 0.033 0.000 0.344 276 Y C -1.037 174.846 175.900 -0.029 0.000 0.969 276 Y CA -1.265 56.897 58.100 0.103 0.000 1.052 276 Y CB 1.511 40.123 38.460 0.252 0.000 1.215 276 Y HN 0.403 nan 8.280 nan 0.000 0.451 277 R N 5.081 125.556 120.500 -0.042 0.000 2.407 277 R HA 0.504 4.864 4.340 0.034 0.000 0.298 277 R C -1.590 174.650 176.300 -0.099 0.000 1.166 277 R CA -0.539 55.524 56.100 -0.062 0.000 1.006 277 R CB 1.761 32.009 30.300 -0.086 0.000 1.145 277 R HN 0.938 nan 8.270 nan 0.000 0.538 278 I N 1.202 121.766 120.570 -0.011 0.000 2.441 278 I HA 0.623 4.813 4.170 0.034 0.000 0.295 278 I C -0.432 175.654 176.117 -0.052 0.000 0.994 278 I CA -0.396 60.865 61.300 -0.065 0.000 1.144 278 I CB 1.711 39.685 38.000 -0.043 0.000 1.314 278 I HN 0.611 nan 8.210 nan 0.000 0.445 279 G N 5.199 113.960 108.800 -0.066 0.000 2.571 279 G HA2 0.820 4.801 3.960 0.034 0.000 0.304 279 G HA3 0.820 4.801 3.960 0.034 0.000 0.304 279 G C -1.568 173.308 174.900 -0.039 0.000 1.314 279 G CA -0.382 44.691 45.100 -0.045 0.000 0.975 279 G HN 0.889 nan 8.290 nan 0.000 0.485 280 A N 0.785 123.600 122.820 -0.009 0.000 2.524 280 A HA 0.893 5.233 4.320 0.034 0.000 0.286 280 A C -0.546 177.062 177.584 0.040 0.000 1.203 280 A CA -0.508 51.530 52.037 0.003 0.000 0.736 280 A CB 1.566 20.558 19.000 -0.014 0.000 1.322 280 A HN 0.798 nan 8.150 nan 0.000 0.424 281 D N -1.036 119.392 120.400 0.047 0.000 2.567 281 D HA 0.535 5.195 4.640 0.034 0.000 0.275 281 D C 1.012 177.397 176.300 0.142 0.000 1.195 281 D CA 0.176 54.212 54.000 0.060 0.000 1.087 281 D CB 1.041 41.858 40.800 0.028 0.000 1.165 281 D HN 0.526 nan 8.370 nan 0.000 0.609 282 A N -0.331 122.553 122.820 0.106 0.000 2.066 282 A HA -0.082 4.258 4.320 0.034 0.000 0.218 282 A C 2.124 179.751 177.584 0.072 0.000 1.157 282 A CA 1.941 54.065 52.037 0.145 0.000 0.670 282 A CB -0.848 18.201 19.000 0.081 0.000 0.804 282 A HN 0.597 nan 8.150 nan 0.000 0.453 283 S N -2.162 113.560 115.700 0.036 0.000 2.414 283 S HA 0.339 4.829 4.470 0.034 0.000 0.227 283 S C 1.535 176.125 174.600 -0.017 0.000 1.022 283 S CA 1.474 59.678 58.200 0.006 0.000 0.958 283 S CB -0.069 63.135 63.200 0.005 0.000 0.797 283 S HN 1.701 nan 8.310 nan 0.000 0.493 284 G N 0.513 109.302 108.800 -0.018 0.000 2.421 284 G HA2 -0.121 3.859 3.960 0.034 0.000 0.188 284 G HA3 -0.121 3.859 3.960 0.034 0.000 0.188 284 G C -0.163 174.705 174.900 -0.052 0.000 1.001 284 G CA -0.389 44.678 45.100 -0.056 0.000 0.693 284 G HN 0.387 nan 8.290 nan 0.000 0.479 285 K N 1.638 122.025 120.400 -0.022 0.000 2.412 285 K HA 0.318 4.658 4.320 0.034 0.000 0.284 285 K C 0.875 177.470 176.600 -0.008 0.000 1.046 285 K CA -0.136 56.147 56.287 -0.007 0.000 0.999 285 K CB 0.930 33.444 32.500 0.023 0.000 0.941 285 K HN 0.388 nan 8.250 nan 0.000 0.474 286 L N 3.683 124.890 121.223 -0.026 0.000 2.525 286 L HA -0.116 4.244 4.340 0.034 0.000 0.278 286 L C 1.505 178.360 176.870 -0.024 0.000 1.218 286 L CA -0.165 54.649 54.840 -0.044 0.000 0.878 286 L CB -0.034 41.980 42.059 -0.076 0.000 1.127 286 L HN 0.443 nan 8.230 nan 0.000 0.492 287 L N 2.448 123.652 121.223 -0.032 0.000 2.477 287 L HA 0.396 4.756 4.340 0.034 0.000 0.220 287 L C 0.834 177.676 176.870 -0.048 0.000 1.106 287 L CA 0.599 55.423 54.840 -0.026 0.000 0.851 287 L CB -0.049 41.998 42.059 -0.019 0.000 0.994 287 L HN 0.842 nan 8.230 nan 0.000 0.462 288 G N -1.380 107.378 108.800 -0.069 0.000 2.329 288 G HA2 0.479 4.459 3.960 0.034 0.000 0.308 288 G HA3 0.479 4.459 3.960 0.034 0.000 0.308 288 G C -1.756 173.078 174.900 -0.110 0.000 1.587 288 G CA -0.394 44.656 45.100 -0.084 0.000 0.978 288 G HN 0.205 nan 8.290 nan 0.000 0.685 289 A N 0.539 123.271 122.820 -0.145 0.000 2.386 289 A HA 0.822 5.162 4.320 0.034 0.000 0.311 289 A C -1.195 176.161 177.584 -0.380 0.000 1.068 289 A CA -0.493 51.361 52.037 -0.304 0.000 0.743 289 A CB 2.188 20.970 19.000 -0.362 0.000 1.258 289 A HN 0.790 nan 8.150 nan 0.000 0.429 290 D N 1.189 121.310 120.400 -0.466 0.000 2.425 290 D HA 0.624 5.284 4.640 0.034 0.000 0.240 290 D C -1.390 174.687 176.300 -0.373 0.000 1.080 290 D CA 0.136 53.956 54.000 -0.300 0.000 0.836 290 D CB 0.432 41.149 40.800 -0.138 0.000 1.125 290 D HN 0.275 nan 8.370 nan 0.000 0.525 291 F N 2.142 122.110 119.950 0.030 0.000 2.508 291 F HA 0.576 5.123 4.527 0.034 0.000 0.325 291 F C -0.077 175.694 175.800 -0.047 0.000 1.090 291 F CA -1.034 56.973 58.000 0.012 0.000 0.945 291 F CB 2.031 40.989 39.000 -0.071 0.000 1.156 291 F HN -0.031 nan 8.300 nan 0.000 0.463 292 V N 2.183 122.240 119.914 0.239 0.000 2.483 292 V HA 0.309 4.449 4.120 0.034 0.000 0.297 292 V C -0.801 175.444 176.094 0.251 0.000 1.027 292 V CA -0.850 61.548 62.300 0.165 0.000 0.855 292 V CB 1.497 33.426 31.823 0.178 0.000 0.995 292 V HN 0.738 nan 8.190 nan 0.000 0.424 293 H N 5.014 124.217 119.070 0.222 0.000 2.467 293 H HA 0.643 5.219 4.556 0.034 0.000 0.326 293 H C -0.780 174.586 175.328 0.062 0.000 1.094 293 H CA -0.749 55.411 56.048 0.186 0.000 1.253 293 H CB 1.605 31.517 29.762 0.251 0.000 1.439 293 H HN 0.454 nan 8.280 nan 0.000 0.479 294 L N 3.166 124.423 121.223 0.056 0.000 2.316 294 L HA 0.548 4.908 4.340 0.034 0.000 0.280 294 L C -0.236 176.386 176.870 -0.413 0.000 1.006 294 L CA -0.723 54.058 54.840 -0.099 0.000 0.836 294 L CB 1.321 43.342 42.059 -0.064 0.000 1.221 294 L HN 0.592 nan 8.230 nan 0.000 0.418 295 A N 3.373 125.886 122.820 -0.511 0.000 2.317 295 A HA 0.618 4.958 4.320 0.034 0.000 0.327 295 A C -0.136 177.300 177.584 -0.248 0.000 1.178 295 A CA -0.665 50.906 52.037 -0.777 0.000 0.817 295 A CB 1.148 19.584 19.000 -0.940 0.000 1.189 295 A HN 0.649 nan 8.150 nan 0.000 0.489 296 R N 2.584 123.012 120.500 -0.120 0.000 3.235 296 R HA 0.178 4.538 4.340 0.034 0.000 0.232 296 R C 0.046 176.368 176.300 0.038 0.000 1.475 296 R CA -0.087 55.995 56.100 -0.031 0.000 1.405 296 R CB -0.341 29.931 30.300 -0.046 0.000 1.266 296 R HN 0.895 nan 8.270 nan 0.000 0.650 297 C N 0.333 119.707 119.300 0.123 0.000 2.448 297 C HA 0.134 4.614 4.460 0.034 0.000 0.280 297 C C 1.436 176.430 174.990 0.007 0.000 1.398 297 C CA 0.845 59.952 59.018 0.148 0.000 1.774 297 C CB -0.983 26.879 27.740 0.204 0.000 1.888 297 C HN 0.955 nan 8.230 nan 0.000 0.519 298 G N 0.050 108.882 108.800 0.054 0.000 2.698 298 G HA2 -0.215 3.765 3.960 0.034 0.000 0.225 298 G HA3 -0.215 3.765 3.960 0.034 0.000 0.225 298 G C 0.340 175.329 174.900 0.148 0.000 1.345 298 G CA 0.032 45.153 45.100 0.036 0.000 0.871 298 G HN 0.649 nan 8.290 nan 0.000 0.540 299 W N 0.314 121.616 121.300 0.003 0.000 2.611 299 W HA 0.387 5.066 4.660 0.032 0.000 0.251 299 W C 0.535 177.146 176.519 0.153 0.000 1.265 299 W CA 1.191 58.584 57.345 0.080 0.000 1.295 299 W CB -0.782 28.753 29.460 0.126 0.000 1.129 299 W HN 1.412 nan 8.180 nan 0.000 0.630 300 S N -0.775 114.512 115.700 -0.687 0.000 2.556 300 S HA 0.594 5.084 4.470 0.034 0.000 0.271 300 S C 0.772 174.985 174.600 -0.645 0.000 1.135 300 S CA -0.008 57.707 58.200 -0.807 0.000 0.858 300 S CB 1.510 63.699 63.200 -1.685 0.000 1.114 300 S HN 0.147 nan 8.310 nan 0.000 0.468 301 A N 2.881 125.279 122.820 -0.702 0.000 1.859 301 A HA -0.025 4.316 4.320 0.034 0.000 0.217 301 A C 1.399 178.709 177.584 -0.456 0.000 1.198 301 A CA 2.276 53.822 52.037 -0.817 0.000 0.629 301 A CB -1.578 17.108 19.000 -0.523 0.000 0.830 301 A HN 1.226 nan 8.150 nan 0.000 0.446 302 D N -1.792 118.426 120.400 -0.304 0.000 3.740 302 D HA -0.252 4.408 4.640 0.034 0.000 0.147 302 D C 0.258 176.516 176.300 -0.069 0.000 0.885 302 D CA 2.163 56.078 54.000 -0.141 0.000 1.051 302 D CB -1.155 39.578 40.800 -0.111 0.000 0.480 302 D HN 0.311 nan 8.370 nan 0.000 0.469 303 L N 1.029 122.261 121.223 0.014 0.000 3.017 303 L HA 0.200 4.560 4.340 0.034 0.000 0.255 303 L C 1.928 178.791 176.870 -0.012 0.000 1.247 303 L CA -0.179 54.713 54.840 0.087 0.000 1.038 303 L CB 0.602 42.822 42.059 0.269 0.000 1.380 303 L HN 0.094 nan 8.230 nan 0.000 0.548 304 S N 0.245 115.901 115.700 -0.074 0.000 2.382 304 S HA -0.180 4.310 4.470 0.034 0.000 0.228 304 S C 1.836 176.318 174.600 -0.197 0.000 1.027 304 S CA 1.311 59.421 58.200 -0.151 0.000 0.991 304 S CB -0.074 63.029 63.200 -0.161 0.000 0.823 304 S HN 0.485 nan 8.310 nan 0.000 0.469 305 L N 2.291 123.438 121.223 -0.125 0.000 1.943 305 L HA -0.075 4.286 4.340 0.034 0.000 0.215 305 L C -1.172 175.706 176.870 0.013 0.000 1.074 305 L CA 1.773 56.583 54.840 -0.050 0.000 0.759 305 L CB -1.127 40.921 42.059 -0.019 0.000 0.888 305 L HN 0.183 nan 8.230 nan 0.000 0.433 306 P HA -0.099 nan 4.420 nan 0.000 0.221 306 P C 1.981 179.382 177.300 0.168 0.000 1.150 306 P CA 0.945 64.200 63.100 0.259 0.000 0.800 306 P CB 0.001 31.975 31.700 0.456 0.000 0.787 307 V N -0.305 119.444 119.914 -0.276 0.000 2.287 307 V HA -0.288 3.852 4.120 0.034 0.000 0.248 307 V C 2.317 178.247 176.094 -0.273 0.000 1.053 307 V CA 2.189 64.068 62.300 -0.702 0.000 1.027 307 V CB -1.248 30.018 31.823 -0.928 0.000 0.646 307 V HN 0.197 nan 8.190 nan 0.000 0.447 308 C N -0.286 118.921 119.300 -0.155 0.000 2.481 308 C HA -0.031 4.449 4.460 0.034 0.000 0.275 308 C C 2.279 177.309 174.990 0.067 0.000 1.419 308 C CA 0.075 59.103 59.018 0.016 0.000 1.773 308 C CB -1.113 26.627 27.740 0.000 0.000 1.862 308 C HN 0.604 nan 8.230 nan 0.000 0.530 309 D N 0.754 121.219 120.400 0.107 0.000 2.149 309 D HA -0.102 4.558 4.640 0.034 0.000 0.201 309 D C 2.296 178.767 176.300 0.285 0.000 0.972 309 D CA 0.907 55.063 54.000 0.261 0.000 0.835 309 D CB -0.374 40.672 40.800 0.410 0.000 0.966 309 D HN 0.490 nan 8.370 nan 0.000 0.476 310 R N 0.685 121.320 120.500 0.224 0.000 2.090 310 R HA 0.005 4.365 4.340 0.034 0.000 0.228 310 R C 2.091 178.553 176.300 0.270 0.000 1.110 310 R CA 1.130 57.385 56.100 0.257 0.000 0.973 310 R CB -0.044 30.448 30.300 0.321 0.000 0.869 310 R HN 0.056 nan 8.270 nan 0.000 0.440 311 A N 0.893 123.792 122.820 0.131 0.000 1.908 311 A HA -0.194 4.146 4.320 0.034 0.000 0.218 311 A C 2.173 179.913 177.584 0.261 0.000 1.181 311 A CA 1.700 53.766 52.037 0.048 0.000 0.627 311 A CB -0.438 18.472 19.000 -0.150 0.000 0.818 311 A HN 0.359 nan 8.150 nan 0.000 0.445 312 M N -1.298 118.500 119.600 0.331 0.000 2.200 312 M HA -0.061 4.439 4.480 0.034 0.000 0.265 312 M C 1.889 178.577 176.300 0.646 0.000 1.066 312 M CA 0.864 56.420 55.300 0.427 0.000 1.127 312 M CB -0.331 32.369 32.600 0.165 0.000 1.379 312 M HN 0.300 nan 8.290 nan 0.000 0.420 313 L N -0.535 120.980 121.223 0.486 0.000 2.083 313 L HA -0.184 4.176 4.340 0.034 0.000 0.209 313 L C 1.684 178.720 176.870 0.277 0.000 1.083 313 L CA 2.006 56.955 54.840 0.181 0.000 0.752 313 L CB -1.121 40.750 42.059 -0.312 0.000 0.899 313 L HN 0.319 nan 8.230 nan 0.000 0.433 314 H N -1.872 117.388 119.070 0.317 0.000 2.517 314 H HA 0.312 4.888 4.556 0.033 0.000 0.282 314 H C 1.781 177.253 175.328 0.240 0.000 1.023 314 H CA 0.493 56.690 56.048 0.250 0.000 1.169 314 H CB 0.150 29.964 29.762 0.086 0.000 1.454 314 H HN 0.229 nan 8.280 nan 0.000 0.556 315 A N 0.830 123.850 122.820 0.333 0.000 2.248 315 A HA -0.132 4.208 4.320 0.034 0.000 0.210 315 A C 1.529 179.168 177.584 0.092 0.000 1.174 315 A CA 1.268 53.333 52.037 0.048 0.000 0.750 315 A CB -0.134 18.823 19.000 -0.071 0.000 0.780 315 A HN 0.520 nan 8.150 nan 0.000 0.478 316 D N -1.723 118.866 120.400 0.315 0.000 2.340 316 D HA 0.230 4.890 4.640 0.034 0.000 0.220 316 D C 1.335 177.855 176.300 0.367 0.000 1.039 316 D CA 1.003 55.228 54.000 0.375 0.000 0.866 316 D CB -0.611 40.519 40.800 0.548 0.000 0.913 316 D HN 0.499 nan 8.370 nan 0.000 0.523 317 G N 0.938 109.921 108.800 0.306 0.000 3.024 317 G HA2 -0.368 3.612 3.960 0.034 0.000 0.339 317 G HA3 -0.368 3.612 3.960 0.034 0.000 0.339 317 G C 0.907 175.845 174.900 0.064 0.000 1.200 317 G CA 1.067 46.301 45.100 0.224 0.000 0.968 317 G HN 0.482 nan 8.290 nan 0.000 0.593 318 S N -0.077 115.425 115.700 -0.330 0.000 2.960 318 S HA 0.461 4.951 4.470 0.034 0.000 0.256 318 S C -0.595 173.921 174.600 -0.140 0.000 1.017 318 S CA -0.157 57.896 58.200 -0.244 0.000 1.144 318 S CB 0.575 63.595 63.200 -0.300 0.000 1.109 318 S HN 0.564 nan 8.310 nan 0.000 0.638 319 Y N 0.366 120.826 120.300 0.267 0.000 2.468 319 Y HA 0.600 5.170 4.550 0.034 0.000 0.342 319 Y C -0.367 175.284 175.900 -0.414 0.000 1.021 319 Y CA -1.589 56.499 58.100 -0.021 0.000 1.079 319 Y CB 0.691 39.155 38.460 0.007 0.000 1.226 319 Y HN 0.179 nan 8.280 nan 0.000 0.460 320 F N 2.802 122.369 119.950 -0.637 0.000 2.472 320 F HA 0.531 5.078 4.527 0.033 0.000 0.364 320 F C -0.870 174.837 175.800 -0.155 0.000 1.090 320 F CA -0.515 57.121 58.000 -0.606 0.000 1.188 320 F CB 0.283 38.980 39.000 -0.504 0.000 1.105 320 F HN 0.186 nan 8.300 nan 0.000 0.536 321 V N 9.428 128.882 119.914 -0.768 0.000 2.487 321 V HA 0.263 4.403 4.120 0.034 0.000 0.298 321 V C -1.797 173.810 176.094 -0.812 0.000 1.028 321 V CA -1.287 60.680 62.300 -0.554 0.000 0.860 321 V CB 1.769 33.485 31.823 -0.178 0.000 0.991 321 V HN 0.663 nan 8.190 nan 0.000 0.427 322 P HA 0.078 nan 4.420 nan 0.000 0.220 322 P C 0.114 177.323 177.300 -0.151 0.000 1.152 322 P CA 0.779 63.682 63.100 -0.328 0.000 0.812 322 P CB 0.411 32.078 31.700 -0.056 0.000 0.792 323 A N -0.181 122.571 122.820 -0.113 0.000 2.375 323 A HA 0.639 4.979 4.320 0.034 0.000 0.291 323 A C -1.315 176.249 177.584 -0.032 0.000 1.160 323 A CA -0.471 51.540 52.037 -0.043 0.000 0.747 323 A CB 0.196 19.182 19.000 -0.023 0.000 1.170 323 A HN 0.122 nan 8.150 nan 0.000 0.458 324 L N 2.379 123.613 121.223 0.019 0.000 2.410 324 L HA 0.768 5.128 4.340 0.034 0.000 0.270 324 L C -0.407 176.528 176.870 0.107 0.000 0.983 324 L CA -0.567 54.300 54.840 0.045 0.000 0.822 324 L CB 1.694 43.782 42.059 0.048 0.000 1.285 324 L HN 0.780 nan 8.230 nan 0.000 0.409 325 R N 4.831 125.387 120.500 0.094 0.000 2.514 325 R HA 0.629 4.989 4.340 0.034 0.000 0.296 325 R C -1.756 174.632 176.300 0.148 0.000 1.012 325 R CA -0.576 55.602 56.100 0.130 0.000 0.897 325 R CB 1.351 31.698 30.300 0.078 0.000 1.184 325 R HN 0.581 nan 8.270 nan 0.000 0.440 326 I N 2.142 122.811 120.570 0.166 0.000 2.441 326 I HA 0.339 4.529 4.170 0.034 0.000 0.295 326 I C -0.126 175.972 176.117 -0.033 0.000 0.994 326 I CA -0.397 60.939 61.300 0.059 0.000 1.144 326 I CB 1.877 39.876 38.000 -0.002 0.000 1.314 326 I HN 0.515 nan 8.210 nan 0.000 0.445 327 E N 4.125 124.282 120.200 -0.073 0.000 2.346 327 E HA 0.322 4.693 4.350 0.034 0.000 0.239 327 E C -1.234 175.262 176.600 -0.173 0.000 0.943 327 E CA -0.242 56.084 56.400 -0.124 0.000 0.751 327 E CB 1.069 30.748 29.700 -0.035 0.000 1.241 327 E HN 0.596 nan 8.360 nan 0.000 0.423 328 S N 4.059 119.610 115.700 -0.250 0.000 2.422 328 S HA 0.244 4.734 4.470 0.034 0.000 0.298 328 S C -0.730 173.724 174.600 -0.243 0.000 1.118 328 S CA -0.597 57.527 58.200 -0.126 0.000 1.083 328 S CB 0.341 63.497 63.200 -0.074 0.000 0.971 328 S HN 0.509 nan 8.310 nan 0.000 0.478 329 H N 4.849 123.898 119.070 -0.035 0.000 2.552 329 H HA 0.300 4.876 4.556 0.033 0.000 0.311 329 H C 0.023 175.303 175.328 -0.080 0.000 1.071 329 H CA -0.648 55.366 56.048 -0.055 0.000 1.307 329 H CB 0.803 30.534 29.762 -0.052 0.000 1.416 329 H HN 0.457 nan 8.280 nan 0.000 0.464 330 R N 4.332 124.868 120.500 0.059 0.000 3.657 330 R HA 0.233 4.593 4.340 0.034 0.000 0.220 330 R C 0.046 176.443 176.300 0.161 0.000 1.548 330 R CA -0.344 55.808 56.100 0.088 0.000 1.465 330 R CB -0.369 30.004 30.300 0.121 0.000 1.330 330 R HN 0.460 nan 8.270 nan 0.000 0.707 331 L N 1.513 122.787 121.223 0.084 0.000 2.397 331 L HA 0.354 4.714 4.340 0.034 0.000 0.271 331 L C 0.981 177.893 176.870 0.070 0.000 1.148 331 L CA -0.280 54.578 54.840 0.030 0.000 0.825 331 L CB 0.674 42.715 42.059 -0.031 0.000 1.117 331 L HN 0.187 nan 8.230 nan 0.000 0.456 332 R N 1.650 122.089 120.500 -0.102 0.000 2.346 332 R HA 0.508 4.868 4.340 0.034 0.000 0.311 332 R C -0.810 175.452 176.300 -0.063 0.000 0.983 332 R CA -0.299 55.722 56.100 -0.131 0.000 0.880 332 R CB 1.379 31.320 30.300 -0.598 0.000 1.100 332 R HN 0.822 nan 8.270 nan 0.000 0.453 333 T N 0.040 114.598 114.554 0.006 0.000 2.903 333 T HA 0.253 4.623 4.350 0.034 0.000 0.299 333 T C -0.024 174.716 174.700 0.067 0.000 1.093 333 T CA -1.017 61.074 62.100 -0.015 0.000 1.002 333 T CB 1.423 70.232 68.868 -0.098 0.000 1.127 333 T HN 0.629 nan 8.240 nan 0.000 0.488 334 N N 1.603 120.344 118.700 0.068 0.000 2.926 334 N HA 0.195 4.956 4.740 0.034 0.000 0.284 334 N C 0.353 175.942 175.510 0.132 0.000 1.303 334 N CA -0.142 53.002 53.050 0.157 0.000 1.062 334 N CB 0.000 38.551 38.487 0.106 0.000 1.389 334 N HN 0.788 nan 8.380 nan 0.000 0.538 335 T N -3.618 110.982 114.554 0.076 0.000 2.762 335 T HA 0.345 4.715 4.350 0.034 0.000 0.272 335 T C -0.006 174.696 174.700 0.004 0.000 0.982 335 T CA -1.010 61.091 62.100 0.003 0.000 1.013 335 T CB 0.885 69.518 68.868 -0.391 0.000 1.309 335 T HN -0.173 nan 8.240 nan 0.000 0.572 336 Q N 1.928 121.697 119.800 -0.052 0.000 2.349 336 Q HA 0.315 4.675 4.340 0.034 0.000 0.287 336 Q C 0.393 176.330 176.000 -0.106 0.000 1.044 336 Q CA 0.151 55.795 55.803 -0.266 0.000 0.918 336 Q CB 0.395 29.116 28.738 -0.028 0.000 1.242 336 Q HN 0.804 nan 8.270 nan 0.000 0.405 337 S N 3.468 119.086 115.700 -0.137 0.000 2.686 337 S HA 0.107 4.598 4.470 0.034 0.000 0.324 337 S C 0.006 174.485 174.600 -0.202 0.000 1.172 337 S CA -0.734 57.307 58.200 -0.265 0.000 1.127 337 S CB -0.245 62.635 63.200 -0.534 0.000 1.338 337 S HN 0.503 nan 8.310 nan 0.000 0.547 338 N N 2.775 121.317 118.700 -0.263 0.000 2.345 338 N HA 0.025 4.785 4.740 0.034 0.000 0.243 338 N C 0.334 175.647 175.510 -0.328 0.000 1.246 338 N CA 0.558 53.359 53.050 -0.414 0.000 0.863 338 N CB 0.780 38.726 38.487 -0.901 0.000 1.096 338 N HN 0.734 nan 8.380 nan 0.000 0.446 339 T N -0.545 113.947 114.554 -0.103 0.000 2.604 339 T HA 0.572 4.943 4.350 0.034 0.000 0.267 339 T C -0.889 173.960 174.700 0.250 0.000 0.923 339 T CA -0.458 61.713 62.100 0.118 0.000 1.077 339 T CB 0.799 69.734 68.868 0.111 0.000 1.392 339 T HN 0.500 nan 8.240 nan 0.000 0.531 340 A N 0.706 123.707 122.820 0.302 0.000 2.386 340 A HA 0.649 4.989 4.320 0.034 0.000 0.248 340 A C -0.844 177.016 177.584 0.460 0.000 1.082 340 A CA -0.163 52.122 52.037 0.414 0.000 0.789 340 A CB -0.437 18.932 19.000 0.614 0.000 1.025 340 A HN 0.721 nan 8.150 nan 0.000 0.490 341 F N 0.755 120.835 119.950 0.216 0.000 2.623 341 F HA 0.384 4.932 4.527 0.036 0.000 0.323 341 F C 0.375 176.090 175.800 -0.143 0.000 1.158 341 F CA -1.011 57.009 58.000 0.034 0.000 1.030 341 F CB 1.234 40.067 39.000 -0.279 0.000 1.280 341 F HN 0.806 nan 8.300 nan 0.000 0.474 342 R N 3.702 124.421 120.500 0.365 0.000 4.098 342 R HA -0.039 4.321 4.340 0.034 0.000 0.151 342 R C 0.977 177.013 176.300 -0.440 0.000 0.451 342 R CA 2.059 58.145 56.100 -0.024 0.000 0.858 342 R CB -0.636 29.671 30.300 0.011 0.000 1.051 342 R HN 1.180 nan 8.270 nan 0.000 0.263 343 G N 3.479 112.159 108.800 -0.201 0.000 2.259 343 G HA2 -0.327 3.653 3.960 0.034 0.000 0.217 343 G HA3 -0.327 3.653 3.960 0.034 0.000 0.217 343 G C 0.372 175.375 174.900 0.172 0.000 1.001 343 G CA 0.005 45.022 45.100 -0.139 0.000 0.627 343 G HN 0.820 nan 8.290 nan 0.000 0.501 344 F N 0.335 120.251 119.950 -0.056 0.000 3.100 344 F HA -0.033 4.515 4.527 0.034 0.000 0.283 344 F C 1.847 177.634 175.800 -0.022 0.000 0.900 344 F CA 2.859 60.871 58.000 0.020 0.000 1.010 344 F CB -0.984 38.069 39.000 0.088 0.000 1.029 344 F HN 1.984 nan 8.300 nan 0.000 0.637 345 G N -1.438 107.251 108.800 -0.184 0.000 2.259 345 G HA2 -0.187 3.793 3.960 0.034 0.000 0.217 345 G HA3 -0.187 3.793 3.960 0.034 0.000 0.217 345 G C 1.509 176.273 174.900 -0.226 0.000 1.001 345 G CA 0.607 45.530 45.100 -0.294 0.000 0.627 345 G HN 1.378 nan 8.290 nan 0.000 0.501 346 G N 1.950 110.701 108.800 -0.082 0.000 2.491 346 G HA2 -0.017 3.963 3.960 0.034 0.000 0.218 346 G HA3 -0.017 3.963 3.960 0.034 0.000 0.218 346 G C 0.136 174.993 174.900 -0.071 0.000 1.180 346 G CA 2.113 47.122 45.100 -0.152 0.000 0.774 346 G HN 0.525 nan 8.290 nan 0.000 0.562 347 P HA -0.173 nan 4.420 nan 0.000 0.217 347 P C 1.868 179.198 177.300 0.049 0.000 1.158 347 P CA 1.718 64.841 63.100 0.038 0.000 0.887 347 P CB -0.057 31.542 31.700 -0.168 0.000 0.792 348 Q N -1.217 118.457 119.800 -0.211 0.000 2.016 348 Q HA -0.047 4.313 4.340 0.034 0.000 0.200 348 Q C 2.460 178.256 176.000 -0.340 0.000 0.978 348 Q CA 2.045 57.625 55.803 -0.372 0.000 0.833 348 Q CB -1.495 26.571 28.738 -1.120 0.000 0.895 348 Q HN 0.242 nan 8.270 nan 0.000 0.427 349 G N 0.061 108.651 108.800 -0.350 0.000 2.418 349 G HA2 -0.217 3.763 3.960 0.034 0.000 0.217 349 G HA3 -0.217 3.763 3.960 0.034 0.000 0.217 349 G C 1.455 176.345 174.900 -0.016 0.000 1.158 349 G CA 0.854 45.866 45.100 -0.146 0.000 0.771 349 G HN 0.438 nan 8.290 nan 0.000 0.545 350 A N 0.256 123.116 122.820 0.066 0.000 1.930 350 A HA 0.122 4.462 4.320 0.034 0.000 0.217 350 A C 2.315 179.987 177.584 0.146 0.000 1.175 350 A CA 1.495 53.617 52.037 0.141 0.000 0.627 350 A CB -0.352 18.756 19.000 0.179 0.000 0.815 350 A HN 0.400 nan 8.150 nan 0.000 0.443 351 L N 0.025 121.335 121.223 0.144 0.000 2.141 351 L HA 0.014 4.374 4.340 0.034 0.000 0.209 351 L C 2.335 179.345 176.870 0.234 0.000 1.094 351 L CA 1.990 56.935 54.840 0.176 0.000 0.763 351 L CB -0.776 41.383 42.059 0.168 0.000 0.908 351 L HN 0.299 nan 8.230 nan 0.000 0.437 352 G N -0.941 107.995 108.800 0.227 0.000 2.422 352 G HA2 -0.295 3.685 3.960 0.034 0.000 0.218 352 G HA3 -0.295 3.685 3.960 0.034 0.000 0.218 352 G C 1.509 176.519 174.900 0.183 0.000 1.140 352 G CA 0.911 46.192 45.100 0.301 0.000 0.775 352 G HN 0.385 nan 8.290 nan 0.000 0.545 353 M N 0.491 120.141 119.600 0.083 0.000 2.236 353 M HA 0.164 4.664 4.480 0.034 0.000 0.266 353 M C 2.075 178.507 176.300 0.220 0.000 1.070 353 M CA 1.029 56.490 55.300 0.270 0.000 1.137 353 M CB -0.167 32.605 32.600 0.287 0.000 1.378 353 M HN 0.033 nan 8.290 nan 0.000 0.426 354 E N -0.319 119.992 120.200 0.186 0.000 2.216 354 E HA -0.072 4.298 4.350 0.034 0.000 0.192 354 E C 2.146 178.747 176.600 0.001 0.000 0.988 354 E CA 0.537 57.028 56.400 0.152 0.000 0.834 354 E CB -0.267 29.543 29.700 0.182 0.000 0.772 354 E HN 0.409 nan 8.360 nan 0.000 0.479 355 R N 0.468 120.899 120.500 -0.115 0.000 2.093 355 R HA 0.092 4.452 4.340 0.034 0.000 0.224 355 R C 2.072 178.046 176.300 -0.544 0.000 1.101 355 R CA 1.001 56.877 56.100 -0.373 0.000 0.979 355 R CB -0.376 29.444 30.300 -0.801 0.000 0.877 355 R HN 0.120 nan 8.270 nan 0.000 0.441 356 A N 0.857 123.324 122.820 -0.589 0.000 1.855 356 A HA -0.151 4.189 4.320 0.034 0.000 0.215 356 A C 2.200 179.656 177.584 -0.213 0.000 1.191 356 A CA 1.210 52.898 52.037 -0.583 0.000 0.613 356 A CB -0.560 18.336 19.000 -0.173 0.000 0.829 356 A HN 0.250 nan 8.150 nan 0.000 0.442 357 I N -0.315 120.165 120.570 -0.150 0.000 2.286 357 I HA -0.231 3.959 4.170 0.034 0.000 0.248 357 I C 2.298 178.338 176.117 -0.129 0.000 1.115 357 I CA 2.190 63.376 61.300 -0.191 0.000 1.392 357 I CB -0.095 37.694 38.000 -0.352 0.000 1.065 357 I HN 0.496 nan 8.210 nan 0.000 0.418 358 E N -0.387 119.772 120.200 -0.068 0.000 2.047 358 E HA -0.327 4.043 4.350 0.034 0.000 0.191 358 E C 2.262 178.915 176.600 0.089 0.000 0.987 358 E CA 1.640 58.053 56.400 0.021 0.000 0.799 358 E CB -0.323 29.390 29.700 0.021 0.000 0.752 358 E HN 0.632 nan 8.360 nan 0.000 0.449 359 H N -0.521 118.486 119.070 -0.104 0.000 2.421 359 H HA -0.058 4.519 4.556 0.034 0.000 0.298 359 H C 1.795 176.972 175.328 -0.252 0.000 1.087 359 H CA 1.531 57.372 56.048 -0.345 0.000 1.330 359 H CB -0.251 29.255 29.762 -0.427 0.000 1.388 359 H HN 0.277 nan 8.280 nan 0.000 0.526 360 L N 0.062 121.159 121.223 -0.210 0.000 2.056 360 L HA 0.026 4.387 4.340 0.034 0.000 0.207 360 L C 2.493 179.250 176.870 -0.189 0.000 1.078 360 L CA 1.793 56.499 54.840 -0.224 0.000 0.749 360 L CB -1.182 40.786 42.059 -0.152 0.000 0.901 360 L HN 0.329 nan 8.230 nan 0.000 0.433 361 A N -0.345 122.401 122.820 -0.125 0.000 1.865 361 A HA -0.213 4.127 4.320 0.034 0.000 0.217 361 A C 2.328 179.881 177.584 -0.052 0.000 1.191 361 A CA 1.725 53.711 52.037 -0.085 0.000 0.623 361 A CB -0.556 18.422 19.000 -0.037 0.000 0.826 361 A HN 0.427 nan 8.150 nan 0.000 0.444 362 R N -0.627 119.885 120.500 0.019 0.000 2.081 362 R HA -0.117 4.243 4.340 0.034 0.000 0.235 362 R C 2.384 178.673 176.300 -0.019 0.000 1.131 362 R CA 1.354 57.506 56.100 0.087 0.000 0.960 362 R CB -1.465 29.033 30.300 0.330 0.000 0.856 362 R HN 0.547 nan 8.270 nan 0.000 0.436 363 G N 2.252 110.959 108.800 -0.156 0.000 2.480 363 G HA2 -0.276 3.705 3.960 0.034 0.000 0.216 363 G HA3 -0.276 3.705 3.960 0.034 0.000 0.216 363 G C 1.525 176.352 174.900 -0.121 0.000 1.200 363 G CA 1.107 46.090 45.100 -0.196 0.000 0.782 363 G HN 0.455 nan 8.290 nan 0.000 0.554 364 M N -0.124 119.377 119.600 -0.165 0.000 2.659 364 M HA 0.413 4.913 4.480 0.034 0.000 0.243 364 M C 1.403 177.602 176.300 -0.167 0.000 1.111 364 M CA 0.851 56.012 55.300 -0.233 0.000 1.070 364 M CB -0.028 32.239 32.600 -0.556 0.000 1.525 364 M HN 0.390 nan 8.290 nan 0.000 0.517 365 G N 2.066 110.807 108.800 -0.099 0.000 2.295 365 G HA2 -0.209 3.771 3.960 0.034 0.000 0.287 365 G HA3 -0.209 3.771 3.960 0.034 0.000 0.287 365 G C -0.395 174.467 174.900 -0.063 0.000 1.055 365 G CA -0.083 44.982 45.100 -0.057 0.000 0.922 365 G HN 0.565 nan 8.290 nan 0.000 0.503 366 R N -0.338 120.116 120.500 -0.077 0.000 2.732 366 R HA 0.399 4.759 4.340 0.034 0.000 0.278 366 R C -0.497 175.784 176.300 -0.031 0.000 0.976 366 R CA -0.943 55.116 56.100 -0.068 0.000 0.963 366 R CB 1.181 31.416 30.300 -0.108 0.000 1.150 366 R HN 0.320 nan 8.270 nan 0.000 0.478 367 D N 2.179 122.571 120.400 -0.014 0.000 2.401 367 D HA 0.078 4.738 4.640 0.034 0.000 0.254 367 D C -1.505 174.806 176.300 0.020 0.000 1.192 367 D CA -1.397 52.615 54.000 0.020 0.000 0.885 367 D CB 1.189 42.011 40.800 0.037 0.000 1.147 367 D HN 0.080 nan 8.370 nan 0.000 0.478 368 P HA -0.173 nan 4.420 nan 0.000 0.215 368 P C 0.992 178.300 177.300 0.013 0.000 1.153 368 P CA 1.549 64.661 63.100 0.020 0.000 0.853 368 P CB 0.054 31.794 31.700 0.067 0.000 0.788 369 A N 0.139 123.007 122.820 0.080 0.000 1.917 369 A HA -0.243 4.097 4.320 0.034 0.000 0.219 369 A C 2.175 179.768 177.584 0.016 0.000 1.182 369 A CA 1.729 53.811 52.037 0.075 0.000 0.633 369 A CB -1.115 18.003 19.000 0.197 0.000 0.819 369 A HN 0.108 nan 8.150 nan 0.000 0.448 370 E N -0.656 119.557 120.200 0.023 0.000 2.106 370 E HA -0.133 4.237 4.350 0.034 0.000 0.192 370 E C 1.954 178.507 176.600 -0.078 0.000 0.984 370 E CA 0.971 57.363 56.400 -0.013 0.000 0.806 370 E CB -0.498 29.203 29.700 0.003 0.000 0.750 370 E HN 0.530 nan 8.360 nan 0.000 0.458 371 L N 1.085 122.249 121.223 -0.098 0.000 2.141 371 L HA -0.097 4.263 4.340 0.034 0.000 0.209 371 L C 2.275 178.997 176.870 -0.246 0.000 1.094 371 L CA 1.443 56.191 54.840 -0.154 0.000 0.763 371 L CB -0.057 41.911 42.059 -0.150 0.000 0.908 371 L HN -0.065 nan 8.230 nan 0.000 0.437 372 R N -1.028 119.312 120.500 -0.267 0.000 2.073 372 R HA -0.009 4.352 4.340 0.034 0.000 0.229 372 R C 2.283 178.073 176.300 -0.849 0.000 1.120 372 R CA 1.081 56.938 56.100 -0.405 0.000 0.967 372 R CB -0.595 29.613 30.300 -0.154 0.000 0.862 372 R HN 0.445 nan 8.270 nan 0.000 0.436 373 A N 1.451 123.936 122.820 -0.558 0.000 1.883 373 A HA -0.176 4.164 4.320 0.034 0.000 0.217 373 A C 2.128 179.571 177.584 -0.236 0.000 1.186 373 A CA 1.184 52.996 52.037 -0.375 0.000 0.624 373 A CB -0.617 18.361 19.000 -0.038 0.000 0.822 373 A HN 0.289 nan 8.150 nan 0.000 0.444 374 L N -0.702 120.414 121.223 -0.179 0.000 2.265 374 L HA -0.090 4.270 4.340 0.034 0.000 0.215 374 L C 0.959 177.775 176.870 -0.090 0.000 1.117 374 L CA 1.194 55.975 54.840 -0.098 0.000 0.782 374 L CB -0.090 41.917 42.059 -0.086 0.000 0.914 374 L HN 0.367 nan 8.230 nan 0.000 0.441 375 N N -1.488 117.114 118.700 -0.164 0.000 2.291 375 N HA 0.155 4.915 4.740 0.034 0.000 0.244 375 N C -0.242 175.329 175.510 0.102 0.000 1.216 375 N CA -0.120 52.900 53.050 -0.051 0.000 0.879 375 N CB 0.457 38.871 38.487 -0.122 0.000 1.167 375 N HN 0.147 nan 8.380 nan 0.000 0.515 376 F N 0.209 120.239 119.950 0.134 0.000 2.426 376 F HA 0.160 4.708 4.527 0.034 0.000 0.309 376 F C 0.909 176.699 175.800 -0.017 0.000 1.246 376 F CA -0.685 57.358 58.000 0.072 0.000 1.229 376 F CB 0.460 39.477 39.000 0.027 0.000 1.255 376 F HN -0.017 nan 8.300 nan 0.000 0.558 377 Y N 0.771 121.216 120.300 0.243 0.000 2.397 377 Y HA 0.016 4.586 4.550 0.034 0.000 0.335 377 Y C 0.459 176.358 175.900 -0.001 0.000 1.213 377 Y CA -0.525 57.626 58.100 0.085 0.000 1.391 377 Y CB 0.110 38.572 38.460 0.005 0.000 1.293 377 Y HN 0.346 nan 8.280 nan 0.000 0.557 378 D N 4.341 124.808 120.400 0.112 0.000 2.414 378 D HA 0.096 4.756 4.640 0.034 0.000 0.242 378 D C -2.317 173.983 176.300 -0.000 0.000 1.129 378 D CA -0.978 53.038 54.000 0.025 0.000 0.885 378 D CB 0.619 41.405 40.800 -0.023 0.000 1.198 378 D HN 0.244 nan 8.370 nan 0.000 0.437 379 P HA 0.179 nan 4.420 nan 0.000 0.275 379 P C -2.272 175.014 177.300 -0.024 0.000 1.227 379 P CA -1.015 62.055 63.100 -0.051 0.000 0.781 379 P CB -0.152 31.523 31.700 -0.043 0.000 0.906 380 P HA 0.102 nan 4.420 nan 0.000 0.269 380 P C -0.104 177.200 177.300 0.006 0.000 1.217 380 P CA 0.502 63.602 63.100 0.001 0.000 0.783 380 P CB 0.205 31.913 31.700 0.013 0.000 0.898 399 K N 0.614 121.013 120.400 -0.001 0.000 2.264 399 K HA 0.432 4.773 4.320 0.034 0.000 0.277 399 K C -0.547 176.049 176.600 -0.007 0.000 1.067 399 K CA -0.333 55.956 56.287 0.002 0.000 0.900 399 K CB 1.328 33.832 32.500 0.007 0.000 1.124 399 K HN -0.193 nan 8.250 nan 0.000 0.469 400 T N 3.571 118.128 114.554 0.006 0.000 2.907 400 T HA 0.046 4.416 4.350 0.034 0.000 0.298 400 T C 0.023 174.736 174.700 0.021 0.000 1.017 400 T CA -0.432 61.672 62.100 0.007 0.000 1.118 400 T CB 0.498 69.378 68.868 0.020 0.000 0.948 400 T HN 0.581 nan 8.240 nan 0.000 0.531 401 Q N 1.469 121.276 119.800 0.012 0.000 2.479 401 Q HA 0.288 4.648 4.340 0.034 0.000 0.267 401 Q C 0.745 176.866 176.000 0.202 0.000 1.071 401 Q CA 0.044 55.897 55.803 0.083 0.000 0.935 401 Q CB 0.411 29.169 28.738 0.032 0.000 1.295 401 Q HN 0.808 nan 8.270 nan 0.000 0.476 402 T N -2.510 112.240 114.554 0.326 0.000 2.910 402 T HA 0.578 4.948 4.350 0.034 0.000 0.287 402 T C 0.153 174.986 174.700 0.222 0.000 1.050 402 T CA -0.843 61.361 62.100 0.173 0.000 1.011 402 T CB 1.459 70.376 68.868 0.082 0.000 1.195 402 T HN 0.667 nan 8.240 nan 0.000 0.540 403 T N -1.400 113.085 114.554 -0.114 0.000 2.814 403 T HA 0.262 4.632 4.350 0.034 0.000 0.284 403 T C 1.473 176.034 174.700 -0.231 0.000 0.998 403 T CA -0.339 61.614 62.100 -0.245 0.000 0.935 403 T CB 0.132 68.412 68.868 -0.980 0.000 1.167 403 T HN 0.891 nan 8.240 nan 0.000 0.545 404 H N -0.185 118.816 119.070 -0.116 0.000 2.495 404 H HA -0.051 4.525 4.556 0.033 0.000 0.287 404 H C 1.556 176.919 175.328 0.059 0.000 1.033 404 H CA 1.367 57.434 56.048 0.033 0.000 1.307 404 H CB -0.822 29.047 29.762 0.179 0.000 1.401 404 H HN 0.898 nan 8.280 nan 0.000 0.555 405 Y N -0.429 119.670 120.300 -0.334 0.000 2.466 405 Y HA 0.455 5.026 4.550 0.034 0.000 0.272 405 Y C 1.542 177.357 175.900 -0.142 0.000 1.169 405 Y CA -0.280 57.653 58.100 -0.278 0.000 1.285 405 Y CB 0.058 38.255 38.460 -0.438 0.000 1.078 405 Y HN 0.222 nan 8.280 nan 0.000 0.523 406 G N 1.067 109.704 108.800 -0.272 0.000 2.182 406 G HA2 -0.317 3.663 3.960 0.034 0.000 0.248 406 G HA3 -0.317 3.663 3.960 0.034 0.000 0.248 406 G C -0.293 174.539 174.900 -0.113 0.000 1.042 406 G CA 0.175 45.199 45.100 -0.126 0.000 0.775 406 G HN 0.607 nan 8.290 nan 0.000 0.501 407 Q N 0.210 119.855 119.800 -0.257 0.000 2.278 407 Q HA 0.437 4.797 4.340 0.034 0.000 0.257 407 Q C 0.338 176.306 176.000 -0.055 0.000 0.928 407 Q CA -0.590 55.166 55.803 -0.079 0.000 0.932 407 Q CB 0.605 29.379 28.738 0.060 0.000 1.221 407 Q HN 0.509 nan 8.270 nan 0.000 0.434 408 E N 2.110 122.321 120.200 0.017 0.000 2.465 408 E HA 0.030 4.400 4.350 0.034 0.000 0.260 408 E C -0.903 175.711 176.600 0.023 0.000 0.980 408 E CA 0.074 56.490 56.400 0.026 0.000 0.927 408 E CB 0.840 30.566 29.700 0.044 0.000 0.934 408 E HN 0.367 nan 8.360 nan 0.000 0.459 409 V N 2.951 122.829 119.914 -0.059 0.000 2.259 409 V HA 0.327 4.467 4.120 0.034 0.000 0.267 409 V C 0.416 176.480 176.094 -0.050 0.000 1.051 409 V CA -0.273 61.930 62.300 -0.161 0.000 0.830 409 V CB 0.856 32.288 31.823 -0.652 0.000 1.080 409 V HN 0.729 nan 8.190 nan 0.000 0.467 410 A N 3.051 125.889 122.820 0.030 0.000 2.631 410 A HA 0.366 4.707 4.320 0.034 0.000 0.294 410 A C 0.709 178.328 177.584 0.058 0.000 1.156 410 A CA -0.047 52.011 52.037 0.035 0.000 0.963 410 A CB 0.064 19.090 19.000 0.042 0.000 1.202 410 A HN 0.751 nan 8.150 nan 0.000 0.523 411 D N -1.690 118.766 120.400 0.093 0.000 2.582 411 D HA 0.080 4.740 4.640 0.034 0.000 0.246 411 D C -0.065 176.283 176.300 0.080 0.000 1.334 411 D CA -0.159 53.928 54.000 0.146 0.000 0.805 411 D CB -0.821 40.139 40.800 0.266 0.000 1.087 411 D HN 0.130 nan 8.370 nan 0.000 0.499 412 C N 2.158 121.367 119.300 -0.152 0.000 2.442 412 C HA 0.339 4.819 4.460 0.034 0.000 0.362 412 C C 1.644 176.257 174.990 -0.628 0.000 1.242 412 C CA -0.390 58.227 59.018 -0.669 0.000 1.741 412 C CB -0.652 26.830 27.740 -0.430 0.000 2.378 412 C HN 0.324 nan 8.230 nan 0.000 0.549 413 V N 5.286 124.668 119.914 -0.885 0.000 3.444 413 V HA 0.181 4.321 4.120 0.034 0.000 0.308 413 V C 1.491 177.105 176.094 -0.800 0.000 1.371 413 V CA 0.578 62.489 62.300 -0.649 0.000 1.141 413 V CB -0.874 30.605 31.823 -0.573 0.000 1.037 413 V HN 0.864 nan 8.190 nan 0.000 0.433 414 L N 1.341 122.019 121.223 -0.907 0.000 2.261 414 L HA -0.003 4.357 4.340 0.034 0.000 0.216 414 L C 2.649 179.098 176.870 -0.701 0.000 1.114 414 L CA 1.654 55.942 54.840 -0.919 0.000 0.777 414 L CB -0.794 40.523 42.059 -1.237 0.000 0.910 414 L HN 0.541 nan 8.230 nan 0.000 0.440 415 G N -0.389 108.154 108.800 -0.429 0.000 2.511 415 G HA2 -0.253 3.727 3.960 0.034 0.000 0.216 415 G HA3 -0.253 3.727 3.960 0.034 0.000 0.216 415 G C 1.416 176.241 174.900 -0.125 0.000 1.218 415 G CA 0.535 45.547 45.100 -0.146 0.000 0.788 415 G HN 0.350 nan 8.290 nan 0.000 0.560 416 E N -0.184 119.927 120.200 -0.149 0.000 2.051 416 E HA -0.081 4.289 4.350 0.034 0.000 0.192 416 E C 2.538 179.088 176.600 -0.083 0.000 0.991 416 E CA 0.689 57.075 56.400 -0.023 0.000 0.799 416 E CB -0.230 29.582 29.700 0.187 0.000 0.748 416 E HN 0.360 nan 8.360 nan 0.000 0.449 417 L N 0.755 121.703 121.223 -0.459 0.000 1.971 417 L HA -0.244 4.116 4.340 0.034 0.000 0.215 417 L C 2.468 179.236 176.870 -0.170 0.000 1.072 417 L CA 1.245 55.809 54.840 -0.461 0.000 0.758 417 L CB -0.244 41.333 42.059 -0.804 0.000 0.889 417 L HN 0.007 nan 8.230 nan 0.000 0.433 418 V N -0.462 119.339 119.914 -0.189 0.000 2.332 418 V HA -0.339 3.801 4.120 0.034 0.000 0.248 418 V C 2.499 178.584 176.094 -0.016 0.000 1.055 418 V CA 2.399 64.653 62.300 -0.076 0.000 1.038 418 V CB -0.955 30.879 31.823 0.019 0.000 0.651 418 V HN 0.595 nan 8.190 nan 0.000 0.450 419 T N -0.556 114.006 114.554 0.012 0.000 2.788 419 T HA -0.248 4.122 4.350 0.034 0.000 0.268 419 T C 2.010 176.748 174.700 0.064 0.000 1.044 419 T CA 1.748 63.878 62.100 0.049 0.000 1.139 419 T CB -0.262 68.642 68.868 0.060 0.000 0.867 419 T HN 0.404 nan 8.240 nan 0.000 0.454 420 R N 0.256 120.807 120.500 0.086 0.000 2.066 420 R HA -0.014 4.346 4.340 0.034 0.000 0.232 420 R C 2.393 178.744 176.300 0.085 0.000 1.131 420 R CA 1.079 57.252 56.100 0.122 0.000 0.955 420 R CB -0.428 30.018 30.300 0.244 0.000 0.851 420 R HN 0.293 nan 8.270 nan 0.000 0.432 421 L N 1.091 122.346 121.223 0.054 0.000 2.005 421 L HA -0.146 4.214 4.340 0.034 0.000 0.207 421 L C 2.119 179.001 176.870 0.021 0.000 1.072 421 L CA 1.771 56.627 54.840 0.027 0.000 0.744 421 L CB -0.394 41.656 42.059 -0.015 0.000 0.895 421 L HN 0.216 nan 8.230 nan 0.000 0.433 422 Q N -0.630 119.170 119.800 0.001 0.000 2.181 422 Q HA -0.265 4.095 4.340 0.034 0.000 0.205 422 Q C 2.245 178.321 176.000 0.127 0.000 0.980 422 Q CA 1.831 57.663 55.803 0.048 0.000 0.862 422 Q CB -0.165 28.593 28.738 0.034 0.000 0.905 422 Q HN 0.483 nan 8.270 nan 0.000 0.429 423 K N 0.227 120.682 120.400 0.092 0.000 2.031 423 K HA -0.128 4.212 4.320 0.034 0.000 0.205 423 K C 2.329 178.974 176.600 0.075 0.000 1.049 423 K CA 1.518 57.856 56.287 0.085 0.000 0.939 423 K CB -0.008 32.534 32.500 0.070 0.000 0.717 423 K HN 0.206 nan 8.250 nan 0.000 0.438 424 S N 0.042 115.782 115.700 0.066 0.000 2.402 424 S HA -0.038 4.452 4.470 0.034 0.000 0.229 424 S C 1.954 176.590 174.600 0.061 0.000 1.021 424 S CA 0.846 59.081 58.200 0.057 0.000 0.974 424 S CB -0.015 63.216 63.200 0.052 0.000 0.800 424 S HN 0.323 nan 8.310 nan 0.000 0.484 425 A N 1.402 124.267 122.820 0.075 0.000 2.251 425 A HA 0.298 4.638 4.320 0.034 0.000 0.209 425 A C 0.933 178.586 177.584 0.115 0.000 1.187 425 A CA 0.420 52.510 52.037 0.087 0.000 0.823 425 A CB -0.948 18.105 19.000 0.088 0.000 0.846 425 A HN 0.680 nan 8.150 nan 0.000 0.486 426 N N -2.244 116.523 118.700 0.112 0.000 2.727 426 N HA -0.243 4.517 4.740 0.034 0.000 0.251 426 N C -0.052 175.537 175.510 0.132 0.000 1.040 426 N CA 0.879 53.988 53.050 0.098 0.000 0.712 426 N CB -2.133 36.388 38.487 0.056 0.000 0.912 426 N HN 0.434 nan 8.380 nan 0.000 0.545 427 F N 0.285 120.244 119.950 0.015 0.000 2.146 427 F HA -0.017 4.530 4.527 0.034 0.000 0.298 427 F C 2.119 177.926 175.800 0.011 0.000 1.096 427 F CA 2.030 60.038 58.000 0.014 0.000 1.275 427 F CB -0.504 38.511 39.000 0.024 0.000 1.008 427 F HN 0.321 nan 8.300 nan 0.000 0.480 428 T N -1.071 113.434 114.554 -0.082 0.000 2.812 428 T HA -0.122 4.248 4.350 0.034 0.000 0.264 428 T C 1.878 176.481 174.700 -0.162 0.000 1.042 428 T CA 1.782 63.770 62.100 -0.188 0.000 1.140 428 T CB -0.831 68.012 68.868 -0.042 0.000 0.870 428 T HN 0.244 nan 8.240 nan 0.000 0.445 429 T N 2.432 116.939 114.554 -0.078 0.000 2.684 429 T HA -0.087 4.283 4.350 0.034 0.000 0.267 429 T C 2.128 176.779 174.700 -0.080 0.000 1.036 429 T CA 0.937 63.002 62.100 -0.057 0.000 1.148 429 T CB -0.211 68.646 68.868 -0.020 0.000 0.863 429 T HN 0.335 nan 8.240 nan 0.000 0.436 430 R N 0.623 121.067 120.500 -0.093 0.000 2.096 430 R HA 0.018 4.378 4.340 0.034 0.000 0.235 430 R C 2.694 178.905 176.300 -0.148 0.000 1.127 430 R CA 1.089 57.130 56.100 -0.098 0.000 0.968 430 R CB -0.259 30.003 30.300 -0.063 0.000 0.861 430 R HN 0.315 nan 8.270 nan 0.000 0.440 431 R N 0.564 120.912 120.500 -0.254 0.000 2.115 431 R HA -0.044 4.316 4.340 0.034 0.000 0.226 431 R C 2.091 178.298 176.300 -0.155 0.000 1.100 431 R CA 1.276 57.215 56.100 -0.269 0.000 0.980 431 R CB -0.077 29.925 30.300 -0.496 0.000 0.875 431 R HN 0.193 nan 8.270 nan 0.000 0.445 432 A N 0.248 122.990 122.820 -0.131 0.000 1.968 432 A HA -0.118 4.222 4.320 0.034 0.000 0.217 432 A C 1.894 179.459 177.584 -0.032 0.000 1.169 432 A CA 1.194 53.189 52.037 -0.070 0.000 0.638 432 A CB -0.308 18.656 19.000 -0.060 0.000 0.812 432 A HN 0.450 nan 8.150 nan 0.000 0.446 433 E N -0.323 119.856 120.200 -0.036 0.000 2.153 433 E HA -0.117 4.253 4.350 0.034 0.000 0.194 433 E C 1.706 178.329 176.600 0.038 0.000 0.988 433 E CA 0.976 57.376 56.400 0.001 0.000 0.811 433 E CB -0.162 29.527 29.700 -0.018 0.000 0.746 433 E HN 0.698 nan 8.360 nan 0.000 0.466 434 I N 0.242 120.810 120.570 -0.004 0.000 2.286 434 I HA -0.196 3.994 4.170 0.034 0.000 0.245 434 I C 2.431 178.610 176.117 0.102 0.000 1.104 434 I CA 0.694 62.013 61.300 0.032 0.000 1.397 434 I CB -0.247 37.719 38.000 -0.057 0.000 1.072 434 I HN 0.135 nan 8.210 nan 0.000 0.417 435 A N 0.995 123.839 122.820 0.039 0.000 1.903 435 A HA -0.315 4.025 4.320 0.034 0.000 0.219 435 A C 2.499 180.120 177.584 0.062 0.000 1.191 435 A CA 2.425 54.484 52.037 0.037 0.000 0.638 435 A CB -0.948 18.054 19.000 0.003 0.000 0.823 435 A HN 0.465 nan 8.150 nan 0.000 0.451 436 A N -2.326 120.538 122.820 0.073 0.000 1.897 436 A HA -0.103 4.237 4.320 0.034 0.000 0.215 436 A C 1.994 179.640 177.584 0.104 0.000 1.181 436 A CA 1.381 53.459 52.037 0.068 0.000 0.620 436 A CB -0.854 18.180 19.000 0.058 0.000 0.821 436 A HN 0.818 nan 8.150 nan 0.000 0.443 437 W N 1.405 122.687 121.300 -0.029 0.000 2.363 437 W HA -0.176 4.505 4.660 0.034 0.000 0.296 437 W C 1.780 178.282 176.519 -0.029 0.000 1.212 437 W CA 1.849 59.178 57.345 -0.027 0.000 1.260 437 W CB -0.048 29.396 29.460 -0.028 0.000 1.131 437 W HN 0.360 nan 8.180 nan 0.000 0.530 438 N N -0.119 118.743 118.700 0.270 0.000 2.142 438 N HA -0.181 4.579 4.740 0.034 0.000 0.186 438 N C 1.929 177.437 175.510 -0.004 0.000 1.023 438 N CA 2.202 55.342 53.050 0.150 0.000 0.852 438 N CB -1.164 37.400 38.487 0.129 0.000 0.998 438 N HN 0.229 nan 8.380 nan 0.000 0.424 439 S N -0.897 114.796 115.700 -0.011 0.000 2.481 439 S HA -0.010 4.480 4.470 0.034 0.000 0.231 439 S C 1.650 176.196 174.600 -0.090 0.000 0.996 439 S CA 1.012 59.186 58.200 -0.042 0.000 0.942 439 S CB -0.500 62.686 63.200 -0.023 0.000 0.768 439 S HN 0.235 nan 8.310 nan 0.000 0.520 440 T N 1.356 115.820 114.554 -0.151 0.000 3.035 440 T HA 0.181 4.551 4.350 0.034 0.000 0.259 440 T C 0.547 175.076 174.700 -0.285 0.000 1.078 440 T CA 0.330 62.299 62.100 -0.217 0.000 1.132 440 T CB -0.327 68.373 68.868 -0.281 0.000 0.900 440 T HN 0.445 nan 8.240 nan 0.000 0.480 441 N N 0.827 119.319 118.700 -0.347 0.000 2.489 441 N HA 0.455 5.216 4.740 0.034 0.000 0.284 441 N C 0.980 176.386 175.510 -0.173 0.000 1.158 441 N CA -0.718 52.126 53.050 -0.343 0.000 0.965 441 N CB 1.031 39.190 38.487 -0.547 0.000 1.195 441 N HN 0.250 nan 8.380 nan 0.000 0.506 442 R N -1.277 119.142 120.500 -0.135 0.000 2.555 442 R HA 0.268 4.628 4.340 0.034 0.000 0.312 442 R C -0.147 176.120 176.300 -0.055 0.000 0.938 442 R CA -0.074 55.979 56.100 -0.078 0.000 1.112 442 R CB 0.211 30.469 30.300 -0.070 0.000 1.535 442 R HN 0.392 nan 8.270 nan 0.000 0.525 443 T N 0.590 115.109 114.554 -0.059 0.000 3.019 443 T HA 0.376 4.746 4.350 0.034 0.000 0.247 443 T C 0.288 174.988 174.700 0.001 0.000 0.992 443 T CA 0.119 62.200 62.100 -0.030 0.000 1.036 443 T CB 0.419 69.267 68.868 -0.033 0.000 1.063 443 T HN -0.043 nan 8.240 nan 0.000 0.476 444 L N 1.549 122.780 121.223 0.013 0.000 2.329 444 L HA 0.823 5.183 4.340 0.034 0.000 0.279 444 L C -0.546 176.465 176.870 0.236 0.000 1.014 444 L CA -1.089 53.831 54.840 0.133 0.000 0.814 444 L CB 1.615 43.820 42.059 0.243 0.000 1.257 444 L HN 0.113 nan 8.230 nan 0.000 0.424 445 A N 3.316 126.283 122.820 0.245 0.000 2.386 445 A HA 0.787 5.127 4.320 0.034 0.000 0.311 445 A C -0.756 176.921 177.584 0.156 0.000 1.068 445 A CA -0.687 51.500 52.037 0.251 0.000 0.743 445 A CB 1.417 20.470 19.000 0.088 0.000 1.258 445 A HN 0.764 nan 8.150 nan 0.000 0.429 446 R N 0.244 120.804 120.500 0.101 0.000 2.598 446 R HA 0.670 5.030 4.340 0.034 0.000 0.279 446 R C 0.172 176.424 176.300 -0.080 0.000 0.984 446 R CA -0.093 55.924 56.100 -0.138 0.000 0.999 446 R CB 2.089 32.159 30.300 -0.384 0.000 1.114 446 R HN 0.896 nan 8.270 nan 0.000 0.493 447 G N 1.088 109.827 108.800 -0.102 0.000 2.619 447 G HA2 0.692 4.672 3.960 0.034 0.000 0.296 447 G HA3 0.692 4.672 3.960 0.034 0.000 0.296 447 G C -1.630 173.241 174.900 -0.049 0.000 1.334 447 G CA -0.482 44.577 45.100 -0.068 0.000 0.934 447 G HN 0.523 nan 8.290 nan 0.000 0.476 448 I N 0.125 120.694 120.570 -0.001 0.000 2.680 448 I HA 0.691 4.881 4.170 0.034 0.000 0.291 448 I C -0.898 175.307 176.117 0.147 0.000 1.244 448 I CA -0.686 60.653 61.300 0.063 0.000 1.042 448 I CB 1.944 39.976 38.000 0.053 0.000 1.277 448 I HN 0.929 nan 8.210 nan 0.000 0.423 449 A N 6.928 129.852 122.820 0.174 0.000 2.549 449 A HA 0.733 5.073 4.320 0.034 0.000 0.297 449 A C -2.125 175.535 177.584 0.127 0.000 1.061 449 A CA -0.542 51.607 52.037 0.187 0.000 0.690 449 A CB 1.869 20.948 19.000 0.132 0.000 1.287 449 A HN 0.768 nan 8.150 nan 0.000 0.402 450 L N 1.343 122.600 121.223 0.057 0.000 2.322 450 L HA 0.841 5.201 4.340 0.034 0.000 0.279 450 L C -0.082 176.818 176.870 0.050 0.000 1.036 450 L CA -0.129 54.675 54.840 -0.059 0.000 0.807 450 L CB 1.795 43.678 42.059 -0.294 0.000 1.226 450 L HN 0.731 nan 8.230 nan 0.000 0.433 451 S N 5.639 121.380 115.700 0.069 0.000 2.557 451 S HA 0.728 5.218 4.470 0.034 0.000 0.291 451 S C -2.841 171.835 174.600 0.126 0.000 1.116 451 S CA -1.286 56.992 58.200 0.130 0.000 0.992 451 S CB 1.852 65.138 63.200 0.143 0.000 1.028 451 S HN 0.533 nan 8.310 nan 0.000 0.484 452 P HA 0.532 nan 4.420 nan 0.000 0.283 452 P C -1.289 176.069 177.300 0.097 0.000 1.271 452 P CA -0.677 62.492 63.100 0.116 0.000 0.841 452 P CB 1.179 33.003 31.700 0.207 0.000 1.122 453 V N 1.478 121.430 119.914 0.065 0.000 2.531 453 V HA 0.427 4.567 4.120 0.034 0.000 0.301 453 V C -0.002 176.148 176.094 0.094 0.000 1.034 453 V CA -0.451 61.909 62.300 0.100 0.000 0.865 453 V CB 1.655 33.548 31.823 0.117 0.000 0.995 453 V HN 0.561 nan 8.190 nan 0.000 0.424 454 K N 4.920 125.385 120.400 0.108 0.000 2.502 454 K HA 0.588 4.928 4.320 0.034 0.000 0.254 454 K C -2.112 174.598 176.600 0.184 0.000 0.947 454 K CA -0.465 55.826 56.287 0.007 0.000 0.834 454 K CB 1.457 33.981 32.500 0.041 0.000 1.112 454 K HN 0.538 nan 8.250 nan 0.000 0.427 455 F N 2.841 122.760 119.950 -0.052 0.000 2.539 455 F HA 0.447 4.993 4.527 0.033 0.000 0.328 455 F C 0.098 175.778 175.800 -0.200 0.000 1.148 455 F CA -0.461 57.558 58.000 0.032 0.000 0.940 455 F CB 1.671 40.603 39.000 -0.114 0.000 1.194 455 F HN 0.656 nan 8.300 nan 0.000 0.438 456 G N 6.485 114.764 108.800 -0.868 0.000 2.365 456 G HA2 0.379 4.359 3.960 0.034 0.000 0.249 456 G HA3 0.379 4.359 3.960 0.034 0.000 0.249 456 G C -0.663 173.288 174.900 -1.583 0.000 1.288 456 G CA -0.409 43.334 45.100 -2.261 0.000 0.887 456 G HN 0.492 nan 8.290 nan 0.000 0.524 457 I N 1.497 121.373 120.570 -1.157 0.000 2.339 457 I HA 0.582 4.772 4.170 0.034 0.000 0.290 457 I C 0.433 176.302 176.117 -0.413 0.000 0.994 457 I CA 0.108 60.978 61.300 -0.716 0.000 1.191 457 I CB 0.431 37.811 38.000 -1.033 0.000 1.343 457 I HN 0.587 nan 8.210 nan 0.000 0.458 458 S N 4.892 120.457 115.700 -0.224 0.000 2.547 458 S HA 0.187 4.678 4.470 0.034 0.000 0.282 458 S C -1.222 173.266 174.600 -0.186 0.000 0.813 458 S CA -0.782 57.318 58.200 -0.166 0.000 1.250 458 S CB -0.100 63.061 63.200 -0.066 0.000 1.554 458 S HN 0.275 nan 8.310 nan 0.000 0.438 459 F N 2.546 122.443 119.950 -0.089 0.000 2.438 459 F HA 0.227 4.773 4.527 0.033 0.000 0.356 459 F C 2.096 177.818 175.800 -0.130 0.000 1.099 459 F CA 0.477 58.403 58.000 -0.124 0.000 1.185 459 F CB 1.277 40.187 39.000 -0.150 0.000 1.115 459 F HN 0.724 nan 8.300 nan 0.000 0.526 460 T N 2.679 117.299 114.554 0.110 0.000 2.607 460 T HA -0.254 4.117 4.350 0.034 0.000 0.267 460 T C 0.716 175.563 174.700 0.245 0.000 1.049 460 T CA 0.716 62.858 62.100 0.069 0.000 1.162 460 T CB -0.287 68.706 68.868 0.207 0.000 0.863 460 T HN 0.297 nan 8.240 nan 0.000 0.424 461 L N 3.486 124.810 121.223 0.169 0.000 2.407 461 L HA 0.216 4.576 4.340 0.034 0.000 0.282 461 L C 1.447 178.273 176.870 -0.072 0.000 1.110 461 L CA 0.103 54.964 54.840 0.036 0.000 0.863 461 L CB 0.195 42.194 42.059 -0.099 0.000 1.207 461 L HN 0.274 nan 8.230 nan 0.000 0.454 462 T N -0.100 114.466 114.554 0.020 0.000 3.055 462 T HA -0.082 4.288 4.350 0.034 0.000 0.265 462 T C 1.608 176.307 174.700 -0.001 0.000 1.111 462 T CA 1.136 63.260 62.100 0.040 0.000 1.118 462 T CB -0.606 68.326 68.868 0.107 0.000 0.909 462 T HN 0.770 nan 8.240 nan 0.000 0.501 463 H N 1.326 120.396 119.070 0.000 0.000 2.547 463 H HA 0.186 4.762 4.556 0.033 0.000 0.272 463 H C 1.686 176.978 175.328 -0.059 0.000 0.989 463 H CA 0.303 56.338 56.048 -0.021 0.000 1.214 463 H CB -0.539 29.210 29.762 -0.021 0.000 1.389 463 H HN 0.370 nan 8.280 nan 0.000 0.577 464 L N 0.937 121.916 121.223 -0.406 0.000 2.551 464 L HA -0.031 4.329 4.340 0.034 0.000 0.228 464 L C 0.641 177.398 176.870 -0.189 0.000 1.153 464 L CA 0.191 54.758 54.840 -0.455 0.000 0.851 464 L CB -0.397 41.029 42.059 -1.056 0.000 0.959 464 L HN 0.170 nan 8.230 nan 0.000 0.451 465 N N 2.577 121.279 118.700 0.003 0.000 3.254 465 N HA 0.065 4.825 4.740 0.034 0.000 0.308 465 N C -0.478 175.007 175.510 -0.041 0.000 1.281 465 N CA 0.201 53.310 53.050 0.098 0.000 1.212 465 N CB 0.243 38.777 38.487 0.078 0.000 1.478 465 N HN 0.551 nan 8.380 nan 0.000 0.548 466 Q N -0.752 119.022 119.800 -0.042 0.000 2.315 466 Q HA 0.792 5.152 4.340 0.034 0.000 0.273 466 Q C -1.634 174.300 176.000 -0.110 0.000 1.053 466 Q CA -1.145 54.549 55.803 -0.181 0.000 0.817 466 Q CB 2.036 30.756 28.738 -0.030 0.000 1.326 466 Q HN 0.081 nan 8.270 nan 0.000 0.423 467 A N 1.202 123.891 122.820 -0.218 0.000 2.435 467 A HA 0.980 5.320 4.320 0.034 0.000 0.304 467 A C -0.621 176.946 177.584 -0.027 0.000 1.064 467 A CA -0.315 51.702 52.037 -0.033 0.000 0.727 467 A CB 1.952 20.985 19.000 0.055 0.000 1.284 467 A HN 0.873 nan 8.150 nan 0.000 0.415 468 G N -0.512 108.369 108.800 0.136 0.000 2.524 468 G HA2 0.823 4.803 3.960 0.034 0.000 0.310 468 G HA3 0.823 4.803 3.960 0.034 0.000 0.310 468 G C -0.561 174.452 174.900 0.187 0.000 1.279 468 G CA 0.105 45.339 45.100 0.223 0.000 0.974 468 G HN 1.672 nan 8.290 nan 0.000 0.484 469 A N 0.069 122.992 122.820 0.173 0.000 2.486 469 A HA 0.908 5.248 4.320 0.034 0.000 0.289 469 A C -1.716 175.932 177.584 0.107 0.000 1.176 469 A CA -0.756 51.370 52.037 0.148 0.000 0.757 469 A CB 2.142 21.218 19.000 0.126 0.000 1.337 469 A HN 1.731 nan 8.150 nan 0.000 0.423 470 L N 0.467 121.737 121.223 0.079 0.000 2.661 470 L HA 0.597 4.957 4.340 0.034 0.000 0.263 470 L C -1.789 175.092 176.870 0.018 0.000 0.956 470 L CA -0.098 54.769 54.840 0.044 0.000 0.918 470 L CB 1.670 43.751 42.059 0.037 0.000 1.280 470 L HN 0.479 nan 8.230 nan 0.000 0.416 471 V N 4.581 124.495 119.914 -0.001 0.000 2.459 471 V HA 0.627 4.767 4.120 0.034 0.000 0.295 471 V C -0.504 175.540 176.094 -0.084 0.000 1.029 471 V CA -0.596 61.684 62.300 -0.034 0.000 0.874 471 V CB 1.653 33.462 31.823 -0.022 0.000 0.985 471 V HN 0.697 nan 8.190 nan 0.000 0.438 472 Q N 4.623 124.325 119.800 -0.163 0.000 2.274 472 Q HA 0.638 4.998 4.340 0.034 0.000 0.260 472 Q C -0.859 174.902 176.000 -0.398 0.000 0.974 472 Q CA -0.425 55.183 55.803 -0.325 0.000 0.876 472 Q CB 2.798 31.213 28.738 -0.538 0.000 1.297 472 Q HN 0.665 nan 8.270 nan 0.000 0.446 473 I N 2.742 123.112 120.570 -0.333 0.000 2.382 473 I HA 0.321 4.511 4.170 0.034 0.000 0.286 473 I C -0.554 175.434 176.117 -0.214 0.000 1.002 473 I CA -0.842 60.336 61.300 -0.204 0.000 1.135 473 I CB 0.669 38.669 38.000 0.001 0.000 1.288 473 I HN 0.482 nan 8.210 nan 0.000 0.448 474 Y N 2.881 123.211 120.300 0.049 0.000 2.326 474 Y HA 0.082 4.651 4.550 0.032 0.000 0.324 474 Y C 2.070 177.963 175.900 -0.012 0.000 1.291 474 Y CA -0.503 57.601 58.100 0.008 0.000 1.348 474 Y CB 1.145 39.603 38.460 -0.004 0.000 1.294 474 Y HN 0.646 nan 8.280 nan 0.000 0.525 475 T N -3.284 111.327 114.554 0.095 0.000 2.929 475 T HA -0.191 4.179 4.350 0.034 0.000 0.271 475 T C 0.892 175.590 174.700 -0.002 0.000 1.085 475 T CA 1.382 63.448 62.100 -0.058 0.000 1.125 475 T CB -0.338 68.354 68.868 -0.293 0.000 0.874 475 T HN 0.758 nan 8.240 nan 0.000 0.494 476 D N 0.573 121.004 120.400 0.052 0.000 2.328 476 D HA 0.246 4.906 4.640 0.034 0.000 0.226 476 D C 1.662 178.033 176.300 0.119 0.000 1.066 476 D CA 0.597 54.633 54.000 0.061 0.000 0.861 476 D CB -0.526 40.297 40.800 0.039 0.000 0.912 476 D HN 0.582 nan 8.370 nan 0.000 0.521 477 G N 0.690 109.589 108.800 0.165 0.000 2.420 477 G HA2 -0.312 3.668 3.960 0.034 0.000 0.221 477 G HA3 -0.312 3.668 3.960 0.034 0.000 0.221 477 G C 0.456 175.510 174.900 0.257 0.000 1.117 477 G CA 0.280 45.545 45.100 0.276 0.000 0.657 477 G HN 0.884 nan 8.290 nan 0.000 0.512 478 S N 1.032 116.844 115.700 0.186 0.000 2.525 478 S HA 0.502 4.992 4.470 0.034 0.000 0.285 478 S C 0.535 175.236 174.600 0.168 0.000 1.283 478 S CA 0.165 58.457 58.200 0.152 0.000 1.072 478 S CB 1.424 64.706 63.200 0.137 0.000 0.867 478 S HN 1.978 nan 8.310 nan 0.000 0.492 479 V N 0.184 120.139 119.914 0.069 0.000 2.834 479 V HA 0.945 5.085 4.120 0.034 0.000 0.313 479 V C 0.079 176.176 176.094 0.004 0.000 1.060 479 V CA -0.854 61.436 62.300 -0.017 0.000 0.989 479 V CB 1.012 32.811 31.823 -0.041 0.000 1.041 479 V HN 1.280 nan 8.190 nan 0.000 0.459 480 A N 4.259 127.039 122.820 -0.067 0.000 2.291 480 A HA 0.772 5.112 4.320 0.034 0.000 0.311 480 A C -0.919 176.647 177.584 -0.031 0.000 1.224 480 A CA -0.555 51.483 52.037 0.001 0.000 0.821 480 A CB 1.054 20.103 19.000 0.081 0.000 1.172 480 A HN 1.172 nan 8.150 nan 0.000 0.494 481 L N 2.747 123.959 121.223 -0.018 0.000 2.307 481 L HA 0.583 4.943 4.340 0.034 0.000 0.282 481 L C -0.394 176.471 176.870 -0.008 0.000 1.051 481 L CA -0.044 54.794 54.840 -0.003 0.000 0.804 481 L CB 1.077 43.142 42.059 0.010 0.000 1.197 481 L HN 0.744 nan 8.230 nan 0.000 0.431 482 N N 2.696 121.412 118.700 0.028 0.000 2.542 482 N HA 0.284 5.044 4.740 0.034 0.000 0.288 482 N C -1.316 174.237 175.510 0.073 0.000 1.115 482 N CA -0.349 52.695 53.050 -0.010 0.000 0.924 482 N CB 0.991 39.463 38.487 -0.025 0.000 1.526 482 N HN 0.932 nan 8.380 nan 0.000 0.515 483 H N 0.054 119.138 119.070 0.024 0.000 3.160 483 H HA 0.672 5.251 4.556 0.038 0.000 0.297 483 H C 0.982 176.353 175.328 0.073 0.000 1.605 483 H CA -0.646 55.436 56.048 0.057 0.000 1.418 483 H CB 0.548 30.350 29.762 0.067 0.000 1.846 483 H HN 0.305 nan 8.280 nan 0.000 0.754 484 G N -1.215 107.696 108.800 0.184 0.000 2.796 484 G HA2 0.238 4.218 3.960 0.034 0.000 0.210 484 G HA3 0.238 4.218 3.960 0.034 0.000 0.210 484 G C 0.682 175.648 174.900 0.110 0.000 1.146 484 G CA 0.073 45.237 45.100 0.106 0.000 0.779 484 G HN 0.841 nan 8.290 nan 0.000 0.535 485 G N 0.358 109.330 108.800 0.287 0.000 2.527 485 G HA2 0.442 4.422 3.960 0.034 0.000 0.248 485 G HA3 0.442 4.422 3.960 0.034 0.000 0.248 485 G C 0.003 174.966 174.900 0.105 0.000 1.231 485 G CA 0.464 45.708 45.100 0.240 0.000 0.838 485 G HN 0.398 nan 8.290 nan 0.000 0.570 486 T N -1.341 113.238 114.554 0.041 0.000 2.863 486 T HA 0.524 4.894 4.350 0.034 0.000 0.285 486 T C -0.584 174.061 174.700 -0.092 0.000 1.009 486 T CA -0.861 61.235 62.100 -0.006 0.000 0.989 486 T CB 2.366 71.237 68.868 0.006 0.000 1.004 486 T HN 0.399 nan 8.240 nan 0.000 0.455 487 E N 2.262 122.387 120.200 -0.126 0.000 2.152 487 E HA 0.377 4.747 4.350 0.034 0.000 0.285 487 E C 0.272 176.854 176.600 -0.031 0.000 1.043 487 E CA -0.470 55.842 56.400 -0.148 0.000 0.839 487 E CB 0.469 30.087 29.700 -0.138 0.000 1.069 487 E HN 0.746 nan 8.360 nan 0.000 0.399 488 M N 2.342 121.912 119.600 -0.051 0.000 2.306 488 M HA 0.409 4.910 4.480 0.034 0.000 0.292 488 M C 1.033 177.298 176.300 -0.058 0.000 1.018 488 M CA 0.170 55.426 55.300 -0.074 0.000 1.007 488 M CB 1.018 33.505 32.600 -0.189 0.000 1.510 488 M HN 0.570 nan 8.290 nan 0.000 0.537 489 G N 1.333 110.142 108.800 0.016 0.000 2.255 489 G HA2 -0.213 3.767 3.960 0.034 0.000 0.196 489 G HA3 -0.213 3.767 3.960 0.034 0.000 0.196 489 G C 0.882 175.800 174.900 0.031 0.000 0.998 489 G CA 0.237 45.343 45.100 0.010 0.000 0.656 489 G HN 0.520 nan 8.290 nan 0.000 0.490 490 Q N 1.656 121.467 119.800 0.018 0.000 2.541 490 Q HA 0.251 4.611 4.340 0.034 0.000 0.215 490 Q C 1.515 177.558 176.000 0.072 0.000 0.977 490 Q CA 1.516 57.332 55.803 0.022 0.000 0.934 490 Q CB -0.673 28.050 28.738 -0.025 0.000 0.988 490 Q HN 1.965 nan 8.270 nan 0.000 0.521 491 G N 1.896 110.804 108.800 0.180 0.000 2.298 491 G HA2 -0.271 3.709 3.960 0.034 0.000 0.287 491 G HA3 -0.271 3.709 3.960 0.034 0.000 0.287 491 G C 0.205 175.105 174.900 0.000 0.000 1.075 491 G CA 0.411 45.619 45.100 0.180 0.000 0.960 491 G HN 0.431 nan 8.290 nan 0.000 0.502 492 L N -0.390 120.794 121.223 -0.065 0.000 2.072 492 L HA 0.128 4.488 4.340 0.034 0.000 0.205 492 L C 2.505 179.351 176.870 -0.040 0.000 1.079 492 L CA 2.508 57.294 54.840 -0.091 0.000 0.752 492 L CB -0.383 41.598 42.059 -0.130 0.000 0.906 492 L HN 0.414 nan 8.230 nan 0.000 0.436 493 H N -0.207 118.874 119.070 0.019 0.000 2.389 493 H HA 0.066 4.642 4.556 0.033 0.000 0.299 493 H C 2.198 177.483 175.328 -0.072 0.000 1.081 493 H CA 1.066 57.130 56.048 0.027 0.000 1.345 493 H CB -0.662 29.101 29.762 0.001 0.000 1.393 493 H HN 0.489 nan 8.280 nan 0.000 0.520 494 A N 1.677 124.482 122.820 -0.024 0.000 1.865 494 A HA -0.213 4.127 4.320 0.034 0.000 0.217 494 A C 2.346 179.894 177.584 -0.060 0.000 1.191 494 A CA 1.859 53.851 52.037 -0.075 0.000 0.623 494 A CB -0.325 18.609 19.000 -0.110 0.000 0.826 494 A HN 0.361 nan 8.150 nan 0.000 0.444 495 K N -1.151 119.214 120.400 -0.057 0.000 2.057 495 K HA -0.113 4.227 4.320 0.034 0.000 0.207 495 K C 2.099 178.645 176.600 -0.090 0.000 1.049 495 K CA 1.499 57.740 56.287 -0.076 0.000 0.931 495 K CB -0.305 32.155 32.500 -0.067 0.000 0.714 495 K HN 0.353 nan 8.250 nan 0.000 0.440 496 M N 0.636 120.185 119.600 -0.086 0.000 2.086 496 M HA -0.125 4.375 4.480 0.034 0.000 0.261 496 M C 2.369 178.630 176.300 -0.066 0.000 1.067 496 M CA 1.326 56.558 55.300 -0.113 0.000 1.116 496 M CB -0.916 31.566 32.600 -0.197 0.000 1.348 496 M HN -0.070 nan 8.290 nan 0.000 0.407 497 V N 0.293 120.183 119.914 -0.040 0.000 2.332 497 V HA -0.287 3.853 4.120 0.034 0.000 0.248 497 V C 2.414 178.458 176.094 -0.082 0.000 1.055 497 V CA 1.703 63.972 62.300 -0.053 0.000 1.038 497 V CB -0.737 31.056 31.823 -0.049 0.000 0.651 497 V HN 0.530 nan 8.190 nan 0.000 0.450 498 Q N -0.909 118.831 119.800 -0.100 0.000 2.167 498 Q HA -0.139 4.222 4.340 0.034 0.000 0.202 498 Q C 2.270 178.158 176.000 -0.186 0.000 0.970 498 Q CA 1.528 57.248 55.803 -0.139 0.000 0.855 498 Q CB -0.131 28.519 28.738 -0.147 0.000 0.911 498 Q HN 0.558 nan 8.270 nan 0.000 0.438 499 V N 0.418 120.236 119.914 -0.159 0.000 2.379 499 V HA -0.214 3.926 4.120 0.034 0.000 0.245 499 V C 2.164 178.225 176.094 -0.055 0.000 1.044 499 V CA 1.690 63.911 62.300 -0.130 0.000 1.036 499 V CB -0.810 30.994 31.823 -0.032 0.000 0.664 499 V HN 0.377 nan 8.190 nan 0.000 0.453 500 A N 0.182 122.968 122.820 -0.056 0.000 1.877 500 A HA -0.099 4.241 4.320 0.034 0.000 0.216 500 A C 2.407 179.952 177.584 -0.065 0.000 1.186 500 A CA 2.066 54.077 52.037 -0.043 0.000 0.620 500 A CB -0.822 18.153 19.000 -0.043 0.000 0.822 500 A HN 0.550 nan 8.150 nan 0.000 0.443 501 A N -0.254 122.513 122.820 -0.090 0.000 1.969 501 A HA 0.203 4.544 4.320 0.034 0.000 0.218 501 A C 2.467 179.997 177.584 -0.090 0.000 1.169 501 A CA 1.924 53.896 52.037 -0.110 0.000 0.635 501 A CB -0.925 18.009 19.000 -0.110 0.000 0.810 501 A HN 1.017 nan 8.150 nan 0.000 0.445 502 A N -0.416 122.346 122.820 -0.096 0.000 1.877 502 A HA -0.037 4.303 4.320 0.034 0.000 0.216 502 A C 2.218 179.824 177.584 0.036 0.000 1.186 502 A CA 1.963 53.953 52.037 -0.078 0.000 0.620 502 A CB -0.930 17.922 19.000 -0.247 0.000 0.822 502 A HN 0.425 nan 8.150 nan 0.000 0.443 503 V N -0.069 119.882 119.914 0.062 0.000 2.379 503 V HA -0.171 3.969 4.120 0.034 0.000 0.245 503 V C 2.379 178.490 176.094 0.029 0.000 1.044 503 V CA 1.703 64.054 62.300 0.086 0.000 1.036 503 V CB -0.721 31.148 31.823 0.078 0.000 0.664 503 V HN 0.540 nan 8.190 nan 0.000 0.453 504 L N 0.498 121.713 121.223 -0.012 0.000 2.478 504 L HA 0.257 4.617 4.340 0.034 0.000 0.223 504 L C 1.655 178.571 176.870 0.077 0.000 1.140 504 L CA 0.873 55.702 54.840 -0.019 0.000 0.842 504 L CB -0.676 41.319 42.059 -0.106 0.000 0.953 504 L HN 0.567 nan 8.230 nan 0.000 0.452 505 G N 1.811 110.642 108.800 0.053 0.000 2.212 505 G HA2 -0.265 3.715 3.960 0.034 0.000 0.255 505 G HA3 -0.265 3.715 3.960 0.034 0.000 0.255 505 G C 0.019 174.923 174.900 0.008 0.000 1.062 505 G CA 0.511 45.675 45.100 0.107 0.000 0.815 505 G HN 0.482 nan 8.290 nan 0.000 0.497 506 I N -3.742 116.744 120.570 -0.141 0.000 2.892 506 I HA 0.721 4.911 4.170 0.034 0.000 0.306 506 I C -0.138 175.892 176.117 -0.146 0.000 1.078 506 I CA -1.590 59.570 61.300 -0.234 0.000 1.032 506 I CB 1.872 39.539 38.000 -0.554 0.000 1.229 506 I HN -0.033 nan 8.210 nan 0.000 0.435 507 D N 4.865 125.197 120.400 -0.113 0.000 2.455 507 D HA 0.107 4.768 4.640 0.034 0.000 0.241 507 D C -1.567 174.679 176.300 -0.089 0.000 1.138 507 D CA -1.539 52.415 54.000 -0.078 0.000 0.877 507 D CB 1.557 42.327 40.800 -0.050 0.000 1.187 507 D HN 0.394 nan 8.370 nan 0.000 0.451 508 P HA -0.134 nan 4.420 nan 0.000 0.221 508 P C 1.675 178.938 177.300 -0.061 0.000 1.145 508 P CA 0.348 63.403 63.100 -0.075 0.000 0.795 508 P CB 0.384 32.041 31.700 -0.072 0.000 0.775 509 V N 0.774 120.657 119.914 -0.051 0.000 2.287 509 V HA -0.239 3.901 4.120 0.034 0.000 0.248 509 V C 2.726 178.799 176.094 -0.034 0.000 1.053 509 V CA 1.807 64.085 62.300 -0.037 0.000 1.027 509 V CB -1.155 30.652 31.823 -0.026 0.000 0.646 509 V HN 0.146 nan 8.190 nan 0.000 0.447 510 Q N -0.281 119.491 119.800 -0.046 0.000 2.368 510 Q HA -0.068 4.292 4.340 0.034 0.000 0.210 510 Q C 0.599 176.575 176.000 -0.040 0.000 0.982 510 Q CA 0.677 56.456 55.803 -0.041 0.000 0.884 510 Q CB -0.247 28.442 28.738 -0.081 0.000 0.933 510 Q HN 0.511 nan 8.270 nan 0.000 0.460 511 V N 1.854 121.736 119.914 -0.053 0.000 2.383 511 V HA 0.250 4.390 4.120 0.034 0.000 0.275 511 V C 0.101 176.176 176.094 -0.031 0.000 1.036 511 V CA -0.615 61.658 62.300 -0.045 0.000 0.889 511 V CB 1.315 33.102 31.823 -0.061 0.000 0.985 511 V HN 0.052 nan 8.190 nan 0.000 0.459 512 R N 4.318 124.810 120.500 -0.013 0.000 2.460 512 R HA 0.650 5.010 4.340 0.034 0.000 0.303 512 R C -1.021 175.257 176.300 -0.038 0.000 0.968 512 R CA -0.517 55.573 56.100 -0.016 0.000 0.889 512 R CB 1.426 31.735 30.300 0.015 0.000 1.123 512 R HN 0.663 nan 8.270 nan 0.000 0.455 513 I N 3.019 123.543 120.570 -0.078 0.000 2.385 513 I HA 0.354 4.544 4.170 0.034 0.000 0.294 513 I C -0.617 175.405 176.117 -0.159 0.000 0.988 513 I CA 0.314 61.523 61.300 -0.152 0.000 1.265 513 I CB 1.760 39.603 38.000 -0.263 0.000 1.388 513 I HN 0.793 nan 8.210 nan 0.000 0.480 514 T N 6.310 120.762 114.554 -0.169 0.000 2.927 514 T HA 0.685 5.055 4.350 0.034 0.000 0.281 514 T C 0.046 174.634 174.700 -0.188 0.000 0.998 514 T CA -0.468 61.555 62.100 -0.127 0.000 1.019 514 T CB 1.218 70.042 68.868 -0.073 0.000 1.061 514 T HN 0.785 nan 8.240 nan 0.000 0.518 515 A N 1.609 124.365 122.820 -0.108 0.000 2.445 515 A HA 0.453 4.794 4.320 0.034 0.000 0.242 515 A C 0.713 178.245 177.584 -0.086 0.000 1.075 515 A CA -0.479 51.511 52.037 -0.078 0.000 0.777 515 A CB -0.384 18.604 19.000 -0.021 0.000 1.013 515 A HN 0.784 nan 8.150 nan 0.000 0.493 516 T N 2.287 116.802 114.554 -0.066 0.000 2.853 516 T HA 0.292 4.662 4.350 0.034 0.000 0.298 516 T C -0.331 174.344 174.700 -0.041 0.000 0.978 516 T CA 0.354 62.412 62.100 -0.070 0.000 1.152 516 T CB 0.196 69.043 68.868 -0.035 0.000 0.914 516 T HN 0.625 nan 8.240 nan 0.000 0.539 517 D N 1.114 121.491 120.400 -0.038 0.000 2.780 517 D HA 0.238 4.898 4.640 0.034 0.000 0.242 517 D C 1.218 177.513 176.300 -0.007 0.000 1.135 517 D CA -0.497 53.487 54.000 -0.027 0.000 0.859 517 D CB 2.047 42.833 40.800 -0.024 0.000 1.530 517 D HN 0.519 nan 8.370 nan 0.000 0.493 518 T N -0.810 113.739 114.554 -0.009 0.000 3.023 518 T HA -0.105 4.266 4.350 0.034 0.000 0.266 518 T C 1.614 176.327 174.700 0.022 0.000 1.093 518 T CA 1.372 63.480 62.100 0.013 0.000 1.129 518 T CB -0.051 68.817 68.868 0.001 0.000 0.899 518 T HN 0.252 nan 8.240 nan 0.000 0.491 519 S N 0.350 116.055 115.700 0.007 0.000 2.470 519 S HA 0.195 4.686 4.470 0.034 0.000 0.225 519 S C 1.846 176.457 174.600 0.018 0.000 1.006 519 S CA -0.007 58.201 58.200 0.014 0.000 0.934 519 S CB -0.110 63.092 63.200 0.003 0.000 0.778 519 S HN 0.411 nan 8.310 nan 0.000 0.517 520 K N 0.957 121.365 120.400 0.014 0.000 2.020 520 K HA 0.295 4.636 4.320 0.034 0.000 0.206 520 K C -0.041 176.579 176.600 0.034 0.000 1.038 520 K CA 0.732 57.030 56.287 0.019 0.000 0.947 520 K CB -0.010 32.494 32.500 0.007 0.000 0.744 520 K HN 0.205 nan 8.250 nan 0.000 0.442 521 V N 4.007 123.946 119.914 0.040 0.000 2.313 521 V HA 0.301 4.441 4.120 0.034 0.000 0.278 521 V C -2.439 173.700 176.094 0.076 0.000 1.017 521 V CA -1.903 60.438 62.300 0.069 0.000 0.823 521 V CB 1.056 32.931 31.823 0.087 0.000 1.010 521 V HN 0.188 nan 8.190 nan 0.000 0.443 522 P HA 0.345 nan 4.420 nan 0.000 0.281 522 P C -0.233 177.133 177.300 0.109 0.000 1.264 522 P CA -0.394 62.758 63.100 0.086 0.000 0.824 522 P CB 0.604 32.347 31.700 0.072 0.000 1.092 523 N N -1.948 116.825 118.700 0.122 0.000 2.727 523 N HA -0.123 4.637 4.740 0.034 0.000 0.249 523 N C 0.183 175.774 175.510 0.136 0.000 1.048 523 N CA 1.210 54.342 53.050 0.136 0.000 0.714 523 N CB -2.403 36.153 38.487 0.114 0.000 0.959 523 N HN 0.703 nan 8.380 nan 0.000 0.544 524 T N -3.132 111.499 114.554 0.128 0.000 2.855 524 T HA 0.381 4.751 4.350 0.034 0.000 0.314 524 T C 0.906 175.631 174.700 0.042 0.000 1.077 524 T CA -0.209 61.947 62.100 0.093 0.000 1.095 524 T CB 1.387 70.306 68.868 0.085 0.000 0.987 524 T HN 0.137 nan 8.240 nan 0.000 0.546 525 S N 0.356 116.001 115.700 -0.092 0.000 2.694 525 S HA 0.682 5.172 4.470 0.034 0.000 0.278 525 S C 0.598 174.770 174.600 -0.714 0.000 1.152 525 S CA -0.542 57.446 58.200 -0.354 0.000 1.010 525 S CB 0.568 63.544 63.200 -0.373 0.000 1.104 525 S HN 1.151 nan 8.310 nan 0.000 0.547 526 A N 0.828 123.019 122.820 -1.049 0.000 2.425 526 A HA 0.385 4.726 4.320 0.034 0.000 0.242 526 A C 0.298 177.798 177.584 -0.141 0.000 1.077 526 A CA -0.215 51.394 52.037 -0.713 0.000 0.781 526 A CB -0.292 18.499 19.000 -0.348 0.000 1.020 526 A HN 0.638 nan 8.150 nan 0.000 0.494 527 T N 2.117 116.639 114.554 -0.053 0.000 3.781 527 T HA 0.486 4.856 4.350 0.034 0.000 0.286 527 T C 0.288 174.999 174.700 0.018 0.000 1.277 527 T CA 0.839 62.948 62.100 0.015 0.000 1.136 527 T CB -0.908 67.961 68.868 0.001 0.000 1.202 527 T HN 1.027 nan 8.240 nan 0.000 0.884 528 A N 1.205 124.070 122.820 0.075 0.000 2.552 528 A HA 0.897 5.238 4.320 0.034 0.000 0.288 528 A C 0.735 178.085 177.584 -0.391 0.000 1.193 528 A CA -0.393 51.625 52.037 -0.032 0.000 0.713 528 A CB 0.446 19.509 19.000 0.105 0.000 1.305 528 A HN 1.262 nan 8.150 nan 0.000 0.424 529 A N -0.785 121.763 122.820 -0.453 0.000 2.826 529 A HA 0.007 4.347 4.320 0.034 0.000 0.274 529 A C 1.162 178.524 177.584 -0.369 0.000 1.443 529 A CA 1.816 53.516 52.037 -0.562 0.000 0.833 529 A CB -2.516 15.761 19.000 -1.205 0.000 1.023 529 A HN 2.455 nan 8.150 nan 0.000 0.600 530 S N -3.215 112.346 115.700 -0.232 0.000 3.146 530 S HA -0.351 4.139 4.470 0.034 0.000 0.285 530 S C 1.457 175.971 174.600 -0.144 0.000 1.293 530 S CA 2.187 60.298 58.200 -0.147 0.000 1.137 530 S CB -2.485 60.654 63.200 -0.102 0.000 1.357 530 S HN 2.518 nan 8.310 nan 0.000 0.678 531 S N 1.251 116.808 115.700 -0.238 0.000 2.414 531 S HA 0.146 4.636 4.470 0.034 0.000 0.227 531 S C 2.200 176.772 174.600 -0.046 0.000 1.022 531 S CA 1.048 59.154 58.200 -0.158 0.000 0.958 531 S CB -1.016 62.021 63.200 -0.272 0.000 0.797 531 S HN 0.982 nan 8.310 nan 0.000 0.493 532 G N 2.437 111.211 108.800 -0.043 0.000 2.732 532 G HA2 -0.303 3.677 3.960 0.034 0.000 0.222 532 G HA3 -0.303 3.677 3.960 0.034 0.000 0.222 532 G C 1.708 176.601 174.900 -0.011 0.000 1.203 532 G CA 1.773 46.873 45.100 0.001 0.000 0.780 532 G HN 0.923 nan 8.290 nan 0.000 0.621 533 A N 0.338 123.140 122.820 -0.029 0.000 1.930 533 A HA 0.021 4.361 4.320 0.034 0.000 0.217 533 A C 2.125 179.686 177.584 -0.038 0.000 1.175 533 A CA 2.187 54.198 52.037 -0.044 0.000 0.627 533 A CB -0.394 18.586 19.000 -0.032 0.000 0.815 533 A HN 0.345 nan 8.150 nan 0.000 0.443 534 D N -0.132 120.264 120.400 -0.008 0.000 2.084 534 D HA -0.141 4.519 4.640 0.034 0.000 0.194 534 D C 2.116 178.381 176.300 -0.059 0.000 0.990 534 D CA 1.756 55.754 54.000 -0.004 0.000 0.826 534 D CB -0.328 40.519 40.800 0.077 0.000 0.971 534 D HN 0.496 nan 8.370 nan 0.000 0.453 535 M N -0.115 119.502 119.600 0.029 0.000 2.248 535 M HA -0.011 4.489 4.480 0.034 0.000 0.265 535 M C 1.702 178.019 176.300 0.028 0.000 1.079 535 M CA 0.672 56.051 55.300 0.131 0.000 1.150 535 M CB -0.159 32.589 32.600 0.246 0.000 1.366 535 M HN -0.070 nan 8.290 nan 0.000 0.433 536 N N 0.938 119.636 118.700 -0.004 0.000 2.188 536 N HA -0.072 4.688 4.740 0.034 0.000 0.184 536 N C 1.896 177.336 175.510 -0.116 0.000 1.018 536 N CA 1.582 54.604 53.050 -0.046 0.000 0.858 536 N CB -0.563 37.870 38.487 -0.090 0.000 0.989 536 N HN 0.428 nan 8.380 nan 0.000 0.426 537 G N 2.206 110.928 108.800 -0.130 0.000 2.529 537 G HA2 -0.265 3.715 3.960 0.034 0.000 0.219 537 G HA3 -0.265 3.715 3.960 0.034 0.000 0.219 537 G C 1.541 176.372 174.900 -0.115 0.000 1.177 537 G CA 0.925 45.960 45.100 -0.108 0.000 0.773 537 G HN 0.170 nan 8.290 nan 0.000 0.573 538 M N 1.057 120.520 119.600 -0.229 0.000 2.117 538 M HA 0.001 4.501 4.480 0.034 0.000 0.262 538 M C 3.063 179.285 176.300 -0.130 0.000 1.065 538 M CA 1.407 56.509 55.300 -0.330 0.000 1.114 538 M CB -1.414 30.613 32.600 -0.954 0.000 1.361 538 M HN 0.337 nan 8.290 nan 0.000 0.408 539 A N 0.290 123.079 122.820 -0.051 0.000 1.865 539 A HA -0.113 4.227 4.320 0.034 0.000 0.217 539 A C 2.476 180.079 177.584 0.032 0.000 1.191 539 A CA 2.113 54.169 52.037 0.033 0.000 0.623 539 A CB -1.141 17.894 19.000 0.059 0.000 0.826 539 A HN 0.283 nan 8.150 nan 0.000 0.444 540 V N 0.557 120.471 119.914 -0.000 0.000 2.252 540 V HA -0.340 3.801 4.120 0.034 0.000 0.249 540 V C 2.603 178.702 176.094 0.008 0.000 1.056 540 V CA 2.580 64.882 62.300 0.003 0.000 1.022 540 V CB -0.728 31.074 31.823 -0.036 0.000 0.641 540 V HN 0.743 nan 8.190 nan 0.000 0.445 541 K N -0.123 120.277 120.400 -0.001 0.000 2.113 541 K HA -0.304 4.036 4.320 0.034 0.000 0.208 541 K C 1.855 178.454 176.600 -0.001 0.000 1.047 541 K CA 2.311 58.602 56.287 0.007 0.000 0.928 541 K CB -0.301 32.189 32.500 -0.017 0.000 0.716 541 K HN 0.595 nan 8.250 nan 0.000 0.446 542 D N -0.240 120.166 120.400 0.009 0.000 2.084 542 D HA -0.106 4.554 4.640 0.034 0.000 0.196 542 D C 1.754 178.073 176.300 0.031 0.000 0.985 542 D CA 1.661 55.680 54.000 0.031 0.000 0.826 542 D CB -0.085 40.760 40.800 0.076 0.000 0.978 542 D HN 0.316 nan 8.370 nan 0.000 0.456 543 A N -0.447 122.395 122.820 0.038 0.000 1.933 543 A HA -0.155 4.185 4.320 0.034 0.000 0.218 543 A C 2.556 180.144 177.584 0.006 0.000 1.175 543 A CA 1.487 53.541 52.037 0.028 0.000 0.628 543 A CB -0.993 18.028 19.000 0.035 0.000 0.814 543 A HN 0.513 nan 8.150 nan 0.000 0.444 544 C N -0.839 118.463 119.300 0.003 0.000 2.446 544 C HA -0.058 4.422 4.460 0.034 0.000 0.277 544 C C 2.634 177.607 174.990 -0.028 0.000 1.275 544 C CA 1.103 60.115 59.018 -0.010 0.000 1.727 544 C CB -1.227 26.511 27.740 -0.003 0.000 2.010 544 C HN 0.682 nan 8.230 nan 0.000 0.486 545 E N 0.299 120.486 120.200 -0.021 0.000 2.110 545 E HA -0.163 4.207 4.350 0.034 0.000 0.193 545 E C 2.102 178.679 176.600 -0.038 0.000 0.988 545 E CA 1.716 58.095 56.400 -0.034 0.000 0.804 545 E CB -0.149 29.538 29.700 -0.022 0.000 0.745 545 E HN 0.646 nan 8.360 nan 0.000 0.458 546 T N 1.421 115.963 114.554 -0.020 0.000 2.674 546 T HA -0.132 4.238 4.350 0.034 0.000 0.265 546 T C 1.991 176.671 174.700 -0.033 0.000 1.039 546 T CA 0.851 62.941 62.100 -0.016 0.000 1.150 546 T CB -0.264 68.604 68.868 -0.000 0.000 0.864 546 T HN 0.074 nan 8.240 nan 0.000 0.427 547 L N 0.517 121.718 121.223 -0.036 0.000 2.046 547 L HA -0.077 4.284 4.340 0.034 0.000 0.208 547 L C 3.010 179.821 176.870 -0.098 0.000 1.077 547 L CA 1.232 56.045 54.840 -0.046 0.000 0.747 547 L CB -0.492 41.554 42.059 -0.022 0.000 0.896 547 L HN 0.102 nan 8.230 nan 0.000 0.432 548 R N 0.471 120.879 120.500 -0.155 0.000 2.120 548 R HA -0.133 4.227 4.340 0.034 0.000 0.234 548 R C 2.119 178.241 176.300 -0.297 0.000 1.123 548 R CA 1.502 57.381 56.100 -0.369 0.000 0.975 548 R CB -0.533 29.552 30.300 -0.358 0.000 0.866 548 R HN 0.437 nan 8.270 nan 0.000 0.446 549 G N 0.589 109.313 108.800 -0.127 0.000 2.421 549 G HA2 -0.260 3.720 3.960 0.034 0.000 0.216 549 G HA3 -0.260 3.720 3.960 0.034 0.000 0.216 549 G C 1.578 176.475 174.900 -0.005 0.000 1.171 549 G CA 0.549 45.623 45.100 -0.044 0.000 0.775 549 G HN 0.317 nan 8.290 nan 0.000 0.543 550 R N -0.146 120.346 120.500 -0.014 0.000 2.094 550 R HA -0.007 4.353 4.340 0.034 0.000 0.239 550 R C 2.657 179.004 176.300 0.078 0.000 1.137 550 R CA 1.327 57.437 56.100 0.017 0.000 0.943 550 R CB -0.558 29.733 30.300 -0.014 0.000 0.850 550 R HN 0.328 nan 8.270 nan 0.000 0.433 551 L N -0.192 121.066 121.223 0.058 0.000 2.083 551 L HA -0.161 4.199 4.340 0.034 0.000 0.209 551 L C 2.634 179.726 176.870 0.369 0.000 1.083 551 L CA 1.224 56.193 54.840 0.214 0.000 0.752 551 L CB -0.551 41.605 42.059 0.162 0.000 0.899 551 L HN 0.300 nan 8.230 nan 0.000 0.433 552 A N 0.299 123.292 122.820 0.290 0.000 1.873 552 A HA -0.085 4.255 4.320 0.034 0.000 0.215 552 A C 2.423 180.102 177.584 0.158 0.000 1.186 552 A CA 1.588 53.821 52.037 0.326 0.000 0.616 552 A CB -1.306 17.865 19.000 0.285 0.000 0.823 552 A HN 0.412 nan 8.150 nan 0.000 0.442 553 G N -0.598 108.276 108.800 0.122 0.000 2.491 553 G HA2 -0.297 3.683 3.960 0.034 0.000 0.218 553 G HA3 -0.297 3.683 3.960 0.034 0.000 0.218 553 G C 1.491 176.439 174.900 0.080 0.000 1.180 553 G CA 1.367 46.517 45.100 0.084 0.000 0.774 553 G HN 0.605 nan 8.290 nan 0.000 0.562 554 F N 1.551 121.498 119.950 -0.006 0.000 2.091 554 F HA -0.144 4.404 4.527 0.035 0.000 0.299 554 F C 2.589 178.354 175.800 -0.058 0.000 1.103 554 F CA 1.851 59.830 58.000 -0.036 0.000 1.228 554 F CB -0.652 38.318 39.000 -0.050 0.000 0.984 554 F HN 0.024 nan 8.300 nan 0.000 0.477 555 V N 1.155 120.763 119.914 -0.509 0.000 2.233 555 V HA -0.318 3.822 4.120 0.034 0.000 0.247 555 V C 2.878 178.744 176.094 -0.380 0.000 1.050 555 V CA 2.225 64.146 62.300 -0.631 0.000 1.010 555 V CB -1.731 29.909 31.823 -0.306 0.000 0.637 555 V HN 0.539 nan 8.190 nan 0.000 0.444 556 A N -0.467 122.251 122.820 -0.170 0.000 2.076 556 A HA -0.076 4.265 4.320 0.034 0.000 0.220 556 A C 2.308 179.831 177.584 -0.101 0.000 1.160 556 A CA 2.047 54.029 52.037 -0.090 0.000 0.653 556 A CB -0.586 18.401 19.000 -0.022 0.000 0.801 556 A HN 0.600 nan 8.150 nan 0.000 0.455 557 A N -0.508 122.230 122.820 -0.137 0.000 1.855 557 A HA -0.060 4.280 4.320 0.034 0.000 0.213 557 A C 2.257 179.745 177.584 -0.160 0.000 1.195 557 A CA 1.286 53.257 52.037 -0.110 0.000 0.610 557 A CB -0.483 18.476 19.000 -0.069 0.000 0.837 557 A HN 0.389 nan 8.150 nan 0.000 0.444 558 R N -0.278 120.034 120.500 -0.313 0.000 2.152 558 R HA -0.086 4.275 4.340 0.034 0.000 0.232 558 R C 0.716 176.888 176.300 -0.214 0.000 1.117 558 R CA 1.446 57.351 56.100 -0.325 0.000 0.981 558 R CB -0.079 29.829 30.300 -0.654 0.000 0.870 558 R HN 0.453 nan 8.270 nan 0.000 0.451 559 E N -0.786 119.297 120.200 -0.195 0.000 2.498 559 E HA 0.116 4.486 4.350 0.034 0.000 0.203 559 E C 0.039 176.616 176.600 -0.038 0.000 1.013 559 E CA 0.497 56.850 56.400 -0.078 0.000 0.927 559 E CB 0.690 30.371 29.700 -0.031 0.000 1.012 559 E HN 0.459 nan 8.360 nan 0.000 0.482 560 G N 2.229 110.996 108.800 -0.055 0.000 2.684 560 G HA2 -0.211 3.769 3.960 0.034 0.000 0.229 560 G HA3 -0.211 3.769 3.960 0.034 0.000 0.229 560 G C 0.241 175.131 174.900 -0.017 0.000 0.927 560 G CA 0.157 45.239 45.100 -0.030 0.000 1.147 560 G HN 0.461 nan 8.290 nan 0.000 0.402 561 C N -0.904 118.385 119.300 -0.018 0.000 3.069 561 C HA 0.894 5.375 4.460 0.034 0.000 0.309 561 C C 0.463 175.452 174.990 -0.001 0.000 1.334 561 C CA -0.561 58.455 59.018 -0.005 0.000 1.195 561 C CB 0.781 28.523 27.740 0.003 0.000 1.401 561 C HN 2.648 nan 8.230 nan 0.000 0.425 562 A N 0.588 123.413 122.820 0.009 0.000 2.331 562 A HA 0.753 5.093 4.320 0.034 0.000 0.283 562 A C 1.306 178.907 177.584 0.028 0.000 1.142 562 A CA 0.505 52.551 52.037 0.016 0.000 0.812 562 A CB 0.652 19.662 19.000 0.018 0.000 1.074 562 A HN 2.563 nan 8.150 nan 0.000 0.497 563 A N 2.678 125.518 122.820 0.035 0.000 1.948 563 A HA -0.203 4.137 4.320 0.034 0.000 0.220 563 A C 2.061 179.693 177.584 0.079 0.000 1.177 563 A CA 1.842 53.915 52.037 0.060 0.000 0.636 563 A CB -0.521 18.515 19.000 0.061 0.000 0.815 563 A HN 0.934 nan 8.150 nan 0.000 0.449 564 R N -0.129 120.408 120.500 0.060 0.000 2.185 564 R HA -0.150 4.210 4.340 0.034 0.000 0.247 564 R C 0.386 176.728 176.300 0.070 0.000 1.159 564 R CA 1.462 57.599 56.100 0.062 0.000 0.988 564 R CB -0.460 29.865 30.300 0.042 0.000 0.871 564 R HN 0.361 nan 8.270 nan 0.000 0.458 565 D N 0.004 120.440 120.400 0.061 0.000 2.342 565 D HA 0.073 4.733 4.640 0.034 0.000 0.221 565 D C -0.607 175.732 176.300 0.064 0.000 1.101 565 D CA 0.245 54.278 54.000 0.054 0.000 0.837 565 D CB 0.575 41.397 40.800 0.036 0.000 0.938 565 D HN -0.066 nan 8.370 nan 0.000 0.508 566 V N 3.032 123.004 119.914 0.096 0.000 2.318 566 V HA 0.255 4.395 4.120 0.034 0.000 0.271 566 V C 0.528 176.706 176.094 0.140 0.000 1.030 566 V CA -0.844 61.512 62.300 0.092 0.000 0.844 566 V CB 0.593 32.495 31.823 0.132 0.000 1.015 566 V HN 0.030 nan 8.190 nan 0.000 0.460 567 I N 1.190 121.794 120.570 0.056 0.000 2.331 567 I HA 0.573 4.763 4.170 0.034 0.000 0.292 567 I C -0.849 175.292 176.117 0.041 0.000 0.998 567 I CA -0.119 61.247 61.300 0.110 0.000 1.267 567 I CB 0.698 38.745 38.000 0.080 0.000 1.386 567 I HN 0.270 nan 8.210 nan 0.000 0.476 568 F N 4.577 124.602 119.950 0.124 0.000 2.334 568 F HA 0.507 5.054 4.527 0.034 0.000 0.367 568 F C -0.089 175.787 175.800 0.127 0.000 1.115 568 F CA -0.125 57.975 58.000 0.167 0.000 1.116 568 F CB 0.985 40.109 39.000 0.206 0.000 1.230 568 F HN 0.603 nan 8.300 nan 0.000 0.484 569 D N 1.418 121.949 120.400 0.217 0.000 2.803 569 D HA 0.529 5.189 4.640 0.034 0.000 0.218 569 D C -0.276 176.082 176.300 0.097 0.000 1.245 569 D CA -0.027 54.056 54.000 0.138 0.000 0.821 569 D CB 1.734 42.592 40.800 0.096 0.000 1.626 569 D HN 0.627 nan 8.370 nan 0.000 0.487 570 A N 2.246 125.103 122.820 0.062 0.000 2.832 570 A HA 0.157 4.497 4.320 0.034 0.000 0.280 570 A C 1.579 179.192 177.584 0.048 0.000 1.464 570 A CA 1.962 54.021 52.037 0.037 0.000 0.804 570 A CB -2.238 16.778 19.000 0.028 0.000 1.020 570 A HN 2.015 nan 8.150 nan 0.000 0.563 571 G N -2.843 105.996 108.800 0.064 0.000 2.155 571 G HA2 -0.214 3.766 3.960 0.034 0.000 0.257 571 G HA3 -0.214 3.766 3.960 0.034 0.000 0.257 571 G C -0.145 174.872 174.900 0.194 0.000 0.983 571 G CA 0.948 46.107 45.100 0.098 0.000 0.676 571 G HN 1.494 nan 8.290 nan 0.000 0.528 572 Q N -0.484 119.416 119.800 0.167 0.000 2.365 572 Q HA 0.649 5.009 4.340 0.034 0.000 0.269 572 Q C -0.438 175.620 176.000 0.097 0.000 1.061 572 Q CA -0.728 55.156 55.803 0.135 0.000 0.816 572 Q CB 2.921 31.698 28.738 0.064 0.000 1.325 572 Q HN 0.230 nan 8.270 nan 0.000 0.446 573 V N 1.968 121.914 119.914 0.054 0.000 2.483 573 V HA 0.405 4.545 4.120 0.034 0.000 0.295 573 V C -0.336 175.763 176.094 0.008 0.000 1.035 573 V CA -0.631 61.582 62.300 -0.146 0.000 0.896 573 V CB 1.796 33.444 31.823 -0.293 0.000 0.986 573 V HN 0.651 nan 8.190 nan 0.000 0.447 574 Q N 2.517 122.285 119.800 -0.053 0.000 2.323 574 Q HA 0.822 5.182 4.340 0.034 0.000 0.271 574 Q C -0.905 175.120 176.000 0.043 0.000 1.048 574 Q CA -0.609 55.190 55.803 -0.007 0.000 0.792 574 Q CB 2.674 31.387 28.738 -0.041 0.000 1.280 574 Q HN 0.949 nan 8.270 nan 0.000 0.441 575 A N 0.821 123.708 122.820 0.113 0.000 2.582 575 A HA 0.557 4.898 4.320 0.034 0.000 0.297 575 A C -0.010 177.645 177.584 0.117 0.000 1.059 575 A CA -0.316 51.798 52.037 0.129 0.000 0.705 575 A CB 1.358 20.456 19.000 0.164 0.000 1.279 575 A HN 0.640 nan 8.150 nan 0.000 0.404 576 S N 0.150 115.886 115.700 0.059 0.000 3.380 576 S HA -0.116 4.375 4.470 0.034 0.000 0.300 576 S C 1.674 176.266 174.600 -0.013 0.000 1.255 576 S CA 2.241 60.462 58.200 0.034 0.000 0.963 576 S CB -1.419 61.823 63.200 0.071 0.000 1.106 576 S HN 2.913 nan 8.310 nan 0.000 0.629 577 G N -0.059 108.719 108.800 -0.038 0.000 2.153 577 G HA2 -0.320 3.660 3.960 0.034 0.000 0.252 577 G HA3 -0.320 3.660 3.960 0.034 0.000 0.252 577 G C -0.207 174.604 174.900 -0.147 0.000 0.994 577 G CA 1.006 46.061 45.100 -0.075 0.000 0.698 577 G HN 0.676 nan 8.290 nan 0.000 0.521 578 K N -0.069 120.194 120.400 -0.228 0.000 2.221 578 K HA 0.751 5.091 4.320 0.034 0.000 0.243 578 K C 0.020 176.172 176.600 -0.746 0.000 0.968 578 K CA -0.133 55.856 56.287 -0.497 0.000 0.846 578 K CB 1.950 34.101 32.500 -0.582 0.000 1.141 578 K HN 0.482 nan 8.250 nan 0.000 0.434 579 S N 0.132 115.268 115.700 -0.940 0.000 2.541 579 S HA 0.602 5.092 4.470 0.034 0.000 0.280 579 S C -1.207 172.867 174.600 -0.877 0.000 1.112 579 S CA -0.996 56.769 58.200 -0.726 0.000 0.925 579 S CB 1.067 64.081 63.200 -0.310 0.000 1.067 579 S HN 0.596 nan 8.310 nan 0.000 0.479 580 W N 0.852 122.122 121.300 -0.050 0.000 2.929 580 W HA 0.519 5.199 4.660 0.034 0.000 0.345 580 W C 0.130 176.646 176.519 -0.005 0.000 1.151 580 W CA -1.052 56.277 57.345 -0.026 0.000 1.111 580 W CB 1.761 31.202 29.460 -0.032 0.000 1.449 580 W HN 0.577 nan 8.180 nan 0.000 0.572 581 R N 0.649 121.309 120.500 0.266 0.000 2.490 581 R HA 0.134 4.494 4.340 0.034 0.000 0.278 581 R C 1.128 177.580 176.300 0.252 0.000 1.069 581 R CA -0.564 55.667 56.100 0.218 0.000 1.080 581 R CB 0.762 31.165 30.300 0.171 0.000 1.030 581 R HN 0.420 nan 8.270 nan 0.000 0.491 582 F N 2.317 122.346 119.950 0.132 0.000 2.147 582 F HA -0.328 4.218 4.527 0.033 0.000 0.301 582 F C 2.095 177.977 175.800 0.136 0.000 1.084 582 F CA 2.176 60.269 58.000 0.154 0.000 1.268 582 F CB -0.120 38.976 39.000 0.160 0.000 1.009 582 F HN 0.719 nan 8.300 nan 0.000 0.486 583 A N 0.070 123.062 122.820 0.287 0.000 1.883 583 A HA -0.265 4.075 4.320 0.034 0.000 0.217 583 A C 2.089 179.715 177.584 0.070 0.000 1.186 583 A CA 2.080 54.221 52.037 0.173 0.000 0.624 583 A CB -0.968 18.128 19.000 0.159 0.000 0.822 583 A HN 0.578 nan 8.150 nan 0.000 0.444 584 E N -0.617 119.638 120.200 0.092 0.000 2.153 584 E HA -0.134 4.236 4.350 0.034 0.000 0.194 584 E C 1.784 178.371 176.600 -0.021 0.000 0.988 584 E CA 0.924 57.367 56.400 0.071 0.000 0.811 584 E CB -0.167 29.639 29.700 0.177 0.000 0.746 584 E HN 0.538 nan 8.360 nan 0.000 0.466 585 I N 0.500 121.026 120.570 -0.074 0.000 2.406 585 I HA -0.151 4.039 4.170 0.034 0.000 0.249 585 I C 2.327 178.377 176.117 -0.112 0.000 1.122 585 I CA 0.758 61.983 61.300 -0.125 0.000 1.431 585 I CB -0.719 37.182 38.000 -0.166 0.000 1.087 585 I HN 0.002 nan 8.210 nan 0.000 0.424 586 V N 1.455 121.256 119.914 -0.188 0.000 2.261 586 V HA -0.250 3.890 4.120 0.034 0.000 0.246 586 V C 2.849 178.895 176.094 -0.079 0.000 1.047 586 V CA 1.876 64.081 62.300 -0.159 0.000 1.015 586 V CB -1.047 30.698 31.823 -0.130 0.000 0.642 586 V HN 0.433 nan 8.190 nan 0.000 0.446 587 A N -0.075 122.723 122.820 -0.037 0.000 1.917 587 A HA -0.220 4.121 4.320 0.034 0.000 0.219 587 A C 2.395 179.993 177.584 0.023 0.000 1.182 587 A CA 2.462 54.501 52.037 0.004 0.000 0.633 587 A CB -0.838 18.162 19.000 -0.000 0.000 0.819 587 A HN 0.612 nan 8.150 nan 0.000 0.448 588 A N -0.406 122.392 122.820 -0.037 0.000 1.898 588 A HA 0.210 4.550 4.320 0.034 0.000 0.216 588 A C 2.473 179.847 177.584 -0.351 0.000 1.181 588 A CA 1.964 53.971 52.037 -0.050 0.000 0.620 588 A CB -0.946 18.112 19.000 0.097 0.000 0.819 588 A HN 1.116 nan 8.150 nan 0.000 0.442 589 A N -1.755 120.666 122.820 -0.664 0.000 2.015 589 A HA -0.015 4.325 4.320 0.034 0.000 0.219 589 A C 2.028 179.337 177.584 -0.459 0.000 1.163 589 A CA 1.447 52.855 52.037 -1.049 0.000 0.646 589 A CB -0.688 17.789 19.000 -0.872 0.000 0.806 589 A HN 0.736 nan 8.150 nan 0.000 0.448 590 Y N 0.144 120.256 120.300 -0.314 0.000 2.133 590 Y HA -0.212 4.358 4.550 0.033 0.000 0.287 590 Y C 2.263 178.065 175.900 -0.164 0.000 1.134 590 Y CA 2.162 60.152 58.100 -0.184 0.000 1.133 590 Y CB -0.222 38.174 38.460 -0.107 0.000 0.987 590 Y HN 0.207 nan 8.280 nan 0.000 0.502 591 M N 0.121 119.682 119.600 -0.065 0.000 2.267 591 M HA -0.158 4.343 4.480 0.034 0.000 0.263 591 M C 2.239 178.424 176.300 -0.191 0.000 1.063 591 M CA 1.551 56.788 55.300 -0.105 0.000 1.090 591 M CB -1.547 31.064 32.600 0.018 0.000 1.392 591 M HN 0.538 nan 8.290 nan 0.000 0.422 592 A N -0.383 122.282 122.820 -0.259 0.000 2.123 592 A HA 0.022 4.362 4.320 0.034 0.000 0.214 592 A C 0.975 178.424 177.584 -0.225 0.000 1.152 592 A CA 0.193 52.098 52.037 -0.220 0.000 0.728 592 A CB -0.170 18.631 19.000 -0.332 0.000 0.814 592 A HN 0.575 nan 8.150 nan 0.000 0.464 593 R N -1.042 119.273 120.500 -0.308 0.000 3.223 593 R HA -0.101 4.259 4.340 0.034 0.000 0.262 593 R C -0.980 175.197 176.300 -0.205 0.000 1.052 593 R CA 0.628 56.560 56.100 -0.278 0.000 0.700 593 R CB -2.127 28.044 30.300 -0.216 0.000 1.217 593 R HN 0.401 nan 8.270 nan 0.000 0.408 594 I N 0.265 120.694 120.570 -0.234 0.000 2.359 594 I HA 0.148 4.338 4.170 0.034 0.000 0.294 594 I C 1.193 177.233 176.117 -0.129 0.000 0.987 594 I CA -0.349 60.848 61.300 -0.171 0.000 1.225 594 I CB 1.657 39.525 38.000 -0.219 0.000 1.366 594 I HN 0.080 nan 8.210 nan 0.000 0.466 595 S N 5.754 121.404 115.700 -0.082 0.000 2.516 595 S HA 0.264 4.754 4.470 0.034 0.000 0.282 595 S C 0.456 175.029 174.600 -0.045 0.000 1.286 595 S CA -0.309 57.859 58.200 -0.053 0.000 1.066 595 S CB 0.061 63.238 63.200 -0.038 0.000 0.884 595 S HN 0.445 nan 8.310 nan 0.000 0.491 596 L N 4.579 125.784 121.223 -0.029 0.000 2.984 596 L HA 0.409 4.769 4.340 0.034 0.000 0.246 596 L C 0.480 177.319 176.870 -0.052 0.000 1.268 596 L CA -0.075 54.745 54.840 -0.035 0.000 1.054 596 L CB 0.339 42.387 42.059 -0.019 0.000 1.393 596 L HN 0.493 nan 8.230 nan 0.000 0.532 597 S N 0.522 116.198 115.700 -0.041 0.000 2.594 597 S HA 0.896 5.386 4.470 0.034 0.000 0.296 597 S C -0.784 173.801 174.600 -0.025 0.000 1.124 597 S CA -0.262 57.911 58.200 -0.044 0.000 1.011 597 S CB 1.375 64.555 63.200 -0.033 0.000 1.016 597 S HN 0.219 nan 8.310 nan 0.000 0.485 598 A N 2.989 125.797 122.820 -0.019 0.000 2.515 598 A HA 0.818 5.158 4.320 0.034 0.000 0.298 598 A C -0.075 177.517 177.584 0.013 0.000 1.059 598 A CA -0.726 51.309 52.037 -0.002 0.000 0.698 598 A CB 1.385 20.383 19.000 -0.002 0.000 1.289 598 A HN 0.937 nan 8.150 nan 0.000 0.404 599 T N -0.643 113.928 114.554 0.028 0.000 2.918 599 T HA 0.764 5.134 4.350 0.034 0.000 0.283 599 T C 0.254 175.001 174.700 0.078 0.000 1.001 599 T CA -0.098 62.035 62.100 0.054 0.000 1.041 599 T CB 1.730 70.631 68.868 0.055 0.000 1.028 599 T HN 1.682 nan 8.240 nan 0.000 0.511 600 G N 0.526 109.396 108.800 0.116 0.000 2.701 600 G HA2 0.601 4.581 3.960 0.034 0.000 0.300 600 G HA3 0.601 4.581 3.960 0.034 0.000 0.300 600 G C -1.998 173.046 174.900 0.241 0.000 1.410 600 G CA -0.754 44.433 45.100 0.145 0.000 1.014 600 G HN 0.715 nan 8.290 nan 0.000 0.509 601 F N 2.079 122.079 119.950 0.082 0.000 2.588 601 F HA 0.831 5.377 4.527 0.032 0.000 0.314 601 F C -1.735 174.173 175.800 0.179 0.000 1.069 601 F CA -1.410 56.653 58.000 0.104 0.000 0.931 601 F CB 2.447 41.486 39.000 0.065 0.000 1.260 601 F HN 0.557 nan 8.300 nan 0.000 0.465 602 Y N 3.252 123.008 120.300 -0.906 0.000 2.482 602 Y HA 0.716 5.286 4.550 0.033 0.000 0.334 602 Y C -1.915 173.538 175.900 -0.744 0.000 1.091 602 Y CA -0.891 56.850 58.100 -0.597 0.000 1.027 602 Y CB 1.590 39.895 38.460 -0.258 0.000 1.306 602 Y HN 0.892 nan 8.280 nan 0.000 0.446 603 A N 3.741 125.839 122.820 -1.204 0.000 2.343 603 A HA 0.600 4.940 4.320 0.034 0.000 0.308 603 A C -0.739 176.251 177.584 -0.989 0.000 1.092 603 A CA -0.719 50.806 52.037 -0.854 0.000 0.751 603 A CB 0.637 19.451 19.000 -0.309 0.000 1.203 603 A HN 0.721 nan 8.150 nan 0.000 0.452 604 T N 5.003 119.153 114.554 -0.674 0.000 2.867 604 T HA 0.364 4.734 4.350 0.034 0.000 0.297 604 T C -2.026 172.584 174.700 -0.150 0.000 0.989 604 T CA -0.137 61.771 62.100 -0.320 0.000 1.159 604 T CB -0.020 68.830 68.868 -0.030 0.000 0.928 604 T HN 0.587 nan 8.240 nan 0.000 0.538 605 P HA 0.400 nan 4.420 nan 0.000 0.281 605 P C -0.068 177.247 177.300 0.026 0.000 1.264 605 P CA -0.707 62.391 63.100 -0.004 0.000 0.824 605 P CB 0.810 32.532 31.700 0.037 0.000 1.092 606 K N -1.719 118.696 120.400 0.024 0.000 3.553 606 K HA -0.127 4.213 4.320 0.034 0.000 0.303 606 K C -0.091 176.524 176.600 0.025 0.000 1.327 606 K CA 0.670 56.976 56.287 0.032 0.000 0.983 606 K CB -2.047 30.480 32.500 0.046 0.000 1.275 606 K HN 0.372 nan 8.250 nan 0.000 0.453 607 L N 1.197 122.431 121.223 0.017 0.000 2.265 607 L HA 0.470 4.830 4.340 0.034 0.000 0.288 607 L C 0.140 177.038 176.870 0.046 0.000 1.058 607 L CA -0.456 54.391 54.840 0.013 0.000 0.809 607 L CB 1.691 43.750 42.059 -0.000 0.000 1.179 607 L HN 0.074 nan 8.230 nan 0.000 0.429 608 S N 4.494 120.239 115.700 0.074 0.000 2.550 608 S HA 0.540 5.030 4.470 0.034 0.000 0.274 608 S C -1.779 172.935 174.600 0.191 0.000 1.110 608 S CA -0.717 57.547 58.200 0.106 0.000 1.013 608 S CB 0.697 63.932 63.200 0.058 0.000 1.152 608 S HN 0.665 nan 8.310 nan 0.000 0.450 609 W N 3.926 125.167 121.300 -0.098 0.000 3.213 609 W HA 0.546 5.225 4.660 0.033 0.000 0.318 609 W C -2.226 174.230 176.519 -0.105 0.000 1.248 609 W CA -0.721 56.550 57.345 -0.123 0.000 1.187 609 W CB 0.634 29.975 29.460 -0.199 0.000 1.403 609 W HN 0.525 nan 8.180 nan 0.000 0.556 610 D N 3.792 123.960 120.400 -0.388 0.000 2.443 610 D HA 0.186 4.846 4.640 0.034 0.000 0.221 610 D C 1.373 177.144 176.300 -0.880 0.000 1.097 610 D CA -0.156 53.519 54.000 -0.543 0.000 0.865 610 D CB 1.310 41.964 40.800 -0.243 0.000 1.034 610 D HN 0.559 nan 8.370 nan 0.000 0.511 611 R N 3.525 123.259 120.500 -1.276 0.000 2.096 611 R HA -0.147 4.213 4.340 0.034 0.000 0.240 611 R C 1.905 178.095 176.300 -0.183 0.000 1.139 611 R CA 1.076 56.518 56.100 -1.097 0.000 0.952 611 R CB -0.085 29.833 30.300 -0.637 0.000 0.854 611 R HN 0.474 nan 8.270 nan 0.000 0.436 612 L N 0.441 121.595 121.223 -0.115 0.000 2.201 612 L HA -0.106 4.254 4.340 0.034 0.000 0.212 612 L C 2.549 179.500 176.870 0.136 0.000 1.105 612 L CA 0.962 55.849 54.840 0.079 0.000 0.775 612 L CB -0.097 41.965 42.059 0.005 0.000 0.913 612 L HN 0.168 nan 8.230 nan 0.000 0.440 613 R N -0.049 120.436 120.500 -0.024 0.000 2.093 613 R HA 0.073 4.433 4.340 0.034 0.000 0.224 613 R C 1.235 177.443 176.300 -0.153 0.000 1.101 613 R CA 0.926 57.005 56.100 -0.035 0.000 0.979 613 R CB -0.646 29.606 30.300 -0.080 0.000 0.877 613 R HN 0.448 nan 8.270 nan 0.000 0.441 614 G N 1.683 110.227 108.800 -0.427 0.000 2.212 614 G HA2 -0.202 3.779 3.960 0.034 0.000 0.255 614 G HA3 -0.202 3.779 3.960 0.034 0.000 0.255 614 G C -0.221 174.434 174.900 -0.408 0.000 1.062 614 G CA 0.083 44.535 45.100 -1.080 0.000 0.815 614 G HN 0.202 nan 8.290 nan 0.000 0.497 615 Q N -1.063 118.670 119.800 -0.112 0.000 2.421 615 Q HA 0.767 5.127 4.340 0.034 0.000 0.280 615 Q C 0.462 176.550 176.000 0.148 0.000 1.085 615 Q CA 0.335 56.151 55.803 0.021 0.000 0.807 615 Q CB 2.110 30.841 28.738 -0.012 0.000 1.405 615 Q HN 1.758 nan 8.270 nan 0.000 0.419 616 G N 1.088 109.973 108.800 0.142 0.000 2.362 616 G HA2 -0.109 3.871 3.960 0.034 0.000 0.517 616 G HA3 -0.109 3.871 3.960 0.034 0.000 0.517 616 G C -1.418 173.561 174.900 0.133 0.000 1.256 616 G CA -0.859 44.334 45.100 0.156 0.000 1.027 616 G HN 0.465 nan 8.290 nan 0.000 0.491 617 R N 1.014 121.565 120.500 0.085 0.000 2.312 617 R HA 0.525 4.885 4.340 0.034 0.000 0.310 617 R C -1.990 174.199 176.300 -0.185 0.000 1.064 617 R CA -1.736 54.355 56.100 -0.014 0.000 0.983 617 R CB 1.543 31.855 30.300 0.020 0.000 1.139 617 R HN 0.220 nan 8.270 nan 0.000 0.536 618 P HA 0.002 nan 4.420 nan 0.000 0.218 618 P C -0.455 176.356 177.300 -0.815 0.000 1.152 618 P CA 0.933 63.381 63.100 -1.086 0.000 0.826 618 P CB 0.231 30.581 31.700 -2.250 0.000 0.790 619 F N -1.442 118.256 119.950 -0.421 0.000 2.425 619 F HA 0.272 4.819 4.527 0.033 0.000 0.331 619 F C 1.618 177.226 175.800 -0.320 0.000 1.085 619 F CA -1.094 56.617 58.000 -0.481 0.000 1.028 619 F CB 1.071 39.573 39.000 -0.830 0.000 1.177 619 F HN -0.288 nan 8.300 nan 0.000 0.487 620 L N 2.920 124.106 121.223 -0.062 0.000 2.131 620 L HA 0.055 4.415 4.340 0.034 0.000 0.206 620 L C -0.431 176.528 176.870 0.149 0.000 1.087 620 L CA 1.376 56.258 54.840 0.070 0.000 0.767 620 L CB -0.226 41.953 42.059 0.200 0.000 0.917 620 L HN 0.683 nan 8.230 nan 0.000 0.441 621 Y N -5.243 114.948 120.300 -0.182 0.000 2.788 621 Y HA 0.555 5.124 4.550 0.033 0.000 0.335 621 Y C -1.428 174.160 175.900 -0.521 0.000 1.287 621 Y CA -2.343 55.644 58.100 -0.188 0.000 1.068 621 Y CB 0.216 38.659 38.460 -0.029 0.000 1.340 621 Y HN -0.226 nan 8.280 nan 0.000 0.449 622 F N 1.045 120.937 119.950 -0.096 0.000 2.546 622 F HA 0.861 5.408 4.527 0.034 0.000 0.320 622 F C 0.004 175.583 175.800 -0.368 0.000 1.076 622 F CA -0.934 56.809 58.000 -0.428 0.000 0.928 622 F CB 2.355 40.985 39.000 -0.616 0.000 1.189 622 F HN 0.787 nan 8.300 nan 0.000 0.465 623 A N 2.436 125.124 122.820 -0.219 0.000 2.288 623 A HA 0.734 5.074 4.320 0.034 0.000 0.320 623 A C -1.662 175.686 177.584 -0.394 0.000 1.217 623 A CA -0.409 51.542 52.037 -0.143 0.000 0.840 623 A CB 0.101 19.157 19.000 0.093 0.000 1.179 623 A HN 0.711 nan 8.150 nan 0.000 0.504 624 Y N 0.939 121.134 120.300 -0.175 0.000 2.534 624 Y HA 0.730 5.300 4.550 0.034 0.000 0.329 624 Y C 0.991 176.535 175.900 -0.594 0.000 1.154 624 Y CA 0.175 58.084 58.100 -0.318 0.000 1.192 624 Y CB 2.522 40.770 38.460 -0.354 0.000 1.275 624 Y HN 0.989 nan 8.280 nan 0.000 0.491 625 G N -0.421 108.235 108.800 -0.240 0.000 2.451 625 G HA2 0.655 4.635 3.960 0.034 0.000 0.292 625 G HA3 0.655 4.635 3.960 0.034 0.000 0.292 625 G C -2.229 172.623 174.900 -0.081 0.000 1.427 625 G CA -0.329 44.636 45.100 -0.225 0.000 0.792 625 G HN 0.846 nan 8.290 nan 0.000 0.498 626 A N -1.258 121.544 122.820 -0.030 0.000 2.574 626 A HA 1.039 5.379 4.320 0.034 0.000 0.297 626 A C -0.551 177.032 177.584 -0.001 0.000 1.062 626 A CA 0.142 52.169 52.037 -0.016 0.000 0.686 626 A CB 1.576 20.536 19.000 -0.067 0.000 1.285 626 A HN 2.479 nan 8.150 nan 0.000 0.403 627 A N 1.436 124.255 122.820 -0.001 0.000 2.398 627 A HA 0.755 5.095 4.320 0.034 0.000 0.301 627 A C -1.050 176.510 177.584 -0.039 0.000 1.041 627 A CA -0.289 51.728 52.037 -0.033 0.000 0.711 627 A CB 0.712 19.699 19.000 -0.022 0.000 1.240 627 A HN 0.777 nan 8.150 nan 0.000 0.420 628 I N 2.217 122.750 120.570 -0.062 0.000 2.362 628 I HA 0.401 4.591 4.170 0.034 0.000 0.289 628 I C -0.237 175.882 176.117 0.003 0.000 0.994 628 I CA -0.087 61.196 61.300 -0.028 0.000 1.158 628 I CB 2.148 40.127 38.000 -0.035 0.000 1.315 628 I HN 0.583 nan 8.210 nan 0.000 0.451 629 T N 5.140 119.721 114.554 0.046 0.000 2.829 629 T HA 0.331 4.701 4.350 0.034 0.000 0.280 629 T C -0.614 174.107 174.700 0.034 0.000 0.999 629 T CA -0.623 61.500 62.100 0.038 0.000 0.983 629 T CB 1.889 70.813 68.868 0.093 0.000 0.968 629 T HN 0.545 nan 8.240 nan 0.000 0.446 630 E N 2.157 122.352 120.200 -0.008 0.000 2.183 630 E HA 0.651 5.021 4.350 0.034 0.000 0.271 630 E C -0.906 175.650 176.600 -0.073 0.000 0.919 630 E CA -0.830 55.543 56.400 -0.045 0.000 0.781 630 E CB 1.129 30.786 29.700 -0.073 0.000 1.140 630 E HN 0.510 nan 8.360 nan 0.000 0.402 631 V N 0.874 120.732 119.914 -0.094 0.000 3.078 631 V HA 0.772 4.912 4.120 0.034 0.000 0.311 631 V C -0.614 175.402 176.094 -0.130 0.000 1.138 631 V CA -0.905 61.335 62.300 -0.101 0.000 1.007 631 V CB 1.435 33.209 31.823 -0.081 0.000 1.045 631 V HN 0.483 nan 8.190 nan 0.000 0.432 632 V N 0.888 120.735 119.914 -0.111 0.000 2.769 632 V HA 0.844 4.984 4.120 0.034 0.000 0.312 632 V C -0.285 175.782 176.094 -0.046 0.000 1.061 632 V CA -0.690 61.557 62.300 -0.088 0.000 0.931 632 V CB 1.335 33.110 31.823 -0.079 0.000 1.010 632 V HN 1.257 nan 8.190 nan 0.000 0.433 633 I N -0.599 119.963 120.570 -0.015 0.000 2.582 633 I HA 0.717 4.907 4.170 0.034 0.000 0.292 633 I C -1.021 175.105 176.117 0.015 0.000 1.066 633 I CA -0.573 60.717 61.300 -0.017 0.000 1.053 633 I CB 1.996 39.970 38.000 -0.045 0.000 1.241 633 I HN 0.611 nan 8.210 nan 0.000 0.421 634 D N 4.801 125.203 120.400 0.003 0.000 2.295 634 D HA 0.247 4.907 4.640 0.034 0.000 0.248 634 D C 0.931 177.227 176.300 -0.008 0.000 1.154 634 D CA -0.236 53.769 54.000 0.008 0.000 0.857 634 D CB 1.272 42.073 40.800 0.002 0.000 1.117 634 D HN 0.511 nan 8.370 nan 0.000 0.468 635 R N 2.913 123.409 120.500 -0.006 0.000 2.148 635 R HA -0.049 4.312 4.340 0.034 0.000 0.227 635 R C 1.708 177.995 176.300 -0.021 0.000 1.103 635 R CA 0.664 56.753 56.100 -0.017 0.000 0.983 635 R CB -0.066 30.224 30.300 -0.016 0.000 0.874 635 R HN 0.553 nan 8.270 nan 0.000 0.451 636 L N -0.294 120.919 121.223 -0.017 0.000 2.072 636 L HA -0.122 4.238 4.340 0.034 0.000 0.205 636 L C 2.390 179.249 176.870 -0.019 0.000 1.079 636 L CA 1.769 56.598 54.840 -0.018 0.000 0.752 636 L CB -0.213 41.837 42.059 -0.015 0.000 0.906 636 L HN 0.309 nan 8.230 nan 0.000 0.436 637 T N -6.003 108.540 114.554 -0.019 0.000 2.964 637 T HA 0.320 4.690 4.350 0.034 0.000 0.249 637 T C 1.372 176.057 174.700 -0.025 0.000 1.000 637 T CA 0.506 62.594 62.100 -0.020 0.000 0.992 637 T CB 1.063 69.920 68.868 -0.018 0.000 1.087 637 T HN 0.333 nan 8.240 nan 0.000 0.489 638 G N 1.415 110.199 108.800 -0.028 0.000 2.179 638 G HA2 -0.192 3.788 3.960 0.034 0.000 0.220 638 G HA3 -0.192 3.788 3.960 0.034 0.000 0.220 638 G C -0.242 174.635 174.900 -0.039 0.000 0.990 638 G CA -0.134 44.944 45.100 -0.037 0.000 0.646 638 G HN 0.649 nan 8.290 nan 0.000 0.517 639 E N 1.568 121.749 120.200 -0.031 0.000 2.442 639 E HA 0.345 4.715 4.350 0.034 0.000 0.262 639 E C 0.550 177.128 176.600 -0.036 0.000 1.004 639 E CA 0.776 57.157 56.400 -0.032 0.000 0.928 639 E CB 0.301 29.988 29.700 -0.023 0.000 0.937 639 E HN 0.693 nan 8.360 nan 0.000 0.446 640 N N 2.032 120.705 118.700 -0.045 0.000 2.494 640 N HA 0.542 5.302 4.740 0.034 0.000 0.270 640 N C -1.221 174.255 175.510 -0.056 0.000 1.285 640 N CA -1.026 51.992 53.050 -0.053 0.000 0.812 640 N CB 2.230 40.677 38.487 -0.067 0.000 1.557 640 N HN 0.500 nan 8.380 nan 0.000 0.487 641 R N -0.198 120.266 120.500 -0.061 0.000 2.644 641 R HA 0.400 4.760 4.340 0.034 0.000 0.257 641 R C -1.564 174.691 176.300 -0.074 0.000 1.082 641 R CA -0.819 55.242 56.100 -0.066 0.000 0.927 641 R CB 0.357 30.626 30.300 -0.051 0.000 1.258 641 R HN 0.347 nan 8.270 nan 0.000 0.459 642 I N 2.724 123.246 120.570 -0.080 0.000 2.692 642 I HA -0.003 4.187 4.170 0.034 0.000 0.284 642 I C 1.118 177.186 176.117 -0.083 0.000 1.159 642 I CA 0.083 61.335 61.300 -0.080 0.000 1.423 642 I CB 0.616 38.566 38.000 -0.083 0.000 1.380 642 I HN 0.647 nan 8.210 nan 0.000 0.580 643 L N 4.623 125.794 121.223 -0.088 0.000 2.500 643 L HA 0.350 4.710 4.340 0.034 0.000 0.219 643 L C 0.862 177.686 176.870 -0.077 0.000 1.057 643 L CA 0.110 54.898 54.840 -0.086 0.000 0.854 643 L CB 0.142 42.132 42.059 -0.115 0.000 1.078 643 L HN 0.566 nan 8.230 nan 0.000 0.480 644 R N -0.959 119.493 120.500 -0.080 0.000 2.680 644 R HA 0.494 4.855 4.340 0.034 0.000 0.269 644 R C -1.683 174.561 176.300 -0.092 0.000 1.026 644 R CA -0.334 55.724 56.100 -0.071 0.000 0.889 644 R CB 2.254 32.529 30.300 -0.041 0.000 1.241 644 R HN -0.237 nan 8.270 nan 0.000 0.463 645 T N 1.736 116.220 114.554 -0.117 0.000 2.971 645 T HA 0.334 4.705 4.350 0.034 0.000 0.304 645 T C -1.771 172.889 174.700 -0.067 0.000 1.038 645 T CA -0.772 61.219 62.100 -0.181 0.000 1.007 645 T CB 1.427 69.995 68.868 -0.500 0.000 1.055 645 T HN 0.426 nan 8.240 nan 0.000 0.451 646 D N 3.216 123.574 120.400 -0.070 0.000 2.462 646 D HA 0.436 5.096 4.640 0.034 0.000 0.245 646 D C -0.485 175.791 176.300 -0.040 0.000 1.122 646 D CA -0.223 53.768 54.000 -0.016 0.000 0.864 646 D CB 1.668 42.473 40.800 0.009 0.000 1.098 646 D HN 0.404 nan 8.370 nan 0.000 0.541 647 I N 1.967 122.528 120.570 -0.016 0.000 2.493 647 I HA 0.331 4.521 4.170 0.034 0.000 0.298 647 I C -0.150 175.994 176.117 0.045 0.000 0.998 647 I CA -0.867 60.431 61.300 -0.003 0.000 1.137 647 I CB 2.294 40.288 38.000 -0.009 0.000 1.310 647 I HN 0.104 nan 8.210 nan 0.000 0.445 648 L N 6.069 127.332 121.223 0.067 0.000 2.594 648 L HA 0.354 4.714 4.340 0.034 0.000 0.245 648 L C -0.513 176.439 176.870 0.138 0.000 1.460 648 L CA -0.227 54.679 54.840 0.109 0.000 0.865 648 L CB 0.016 42.137 42.059 0.104 0.000 1.131 648 L HN 0.529 nan 8.230 nan 0.000 0.506 649 H N 0.178 119.295 119.070 0.077 0.000 2.652 649 H HA 0.235 4.811 4.556 0.034 0.000 0.349 649 H C -0.541 174.881 175.328 0.156 0.000 1.099 649 H CA 0.063 56.160 56.048 0.082 0.000 1.417 649 H CB 1.041 30.838 29.762 0.058 0.000 1.457 649 H HN 0.507 nan 8.280 nan 0.000 0.568 650 D N 2.943 123.262 120.400 -0.136 0.000 2.347 650 D HA 0.258 4.918 4.640 0.034 0.000 0.235 650 D C -0.216 176.215 176.300 0.219 0.000 1.149 650 D CA -0.204 53.879 54.000 0.139 0.000 0.850 650 D CB 0.678 41.475 40.800 -0.004 0.000 1.061 650 D HN 0.594 nan 8.370 nan 0.000 0.487 651 A N 3.479 126.464 122.820 0.276 0.000 2.465 651 A HA 0.625 4.966 4.320 0.034 0.000 0.255 651 A C 1.382 179.058 177.584 0.154 0.000 1.274 651 A CA 0.315 52.486 52.037 0.224 0.000 0.920 651 A CB -0.604 18.503 19.000 0.179 0.000 1.033 651 A HN 0.973 nan 8.150 nan 0.000 0.516 652 G N 0.125 109.030 108.800 0.174 0.000 2.574 652 G HA2 0.089 4.069 3.960 0.034 0.000 0.286 652 G HA3 0.089 4.069 3.960 0.034 0.000 0.286 652 G C 0.558 175.498 174.900 0.066 0.000 1.212 652 G CA 0.103 45.269 45.100 0.110 0.000 0.979 652 G HN 1.797 nan 8.290 nan 0.000 0.557 653 A N -0.019 122.820 122.820 0.032 0.000 2.527 653 A HA 0.674 5.014 4.320 0.034 0.000 0.313 653 A C 0.808 178.407 177.584 0.026 0.000 1.410 653 A CA 1.365 53.415 52.037 0.021 0.000 1.060 653 A CB 0.085 19.099 19.000 0.024 0.000 1.137 653 A HN 2.200 nan 8.150 nan 0.000 0.542 654 S N 2.412 118.125 115.700 0.022 0.000 2.546 654 S HA 0.131 4.621 4.470 0.034 0.000 0.290 654 S C 1.285 175.878 174.600 -0.013 0.000 1.290 654 S CA -0.361 57.849 58.200 0.017 0.000 1.069 654 S CB -0.101 63.110 63.200 0.019 0.000 0.846 654 S HN 0.559 nan 8.310 nan 0.000 0.495 655 L N 3.776 124.988 121.223 -0.019 0.000 2.093 655 L HA 0.079 4.439 4.340 0.034 0.000 0.208 655 L C 1.337 178.164 176.870 -0.072 0.000 1.085 655 L CA 0.759 55.562 54.840 -0.062 0.000 0.755 655 L CB -0.169 41.857 42.059 -0.056 0.000 0.904 655 L HN 0.630 nan 8.230 nan 0.000 0.435 656 N N -1.318 117.356 118.700 -0.043 0.000 2.581 656 N HA 0.162 4.922 4.740 0.034 0.000 0.279 656 N C -2.247 173.250 175.510 -0.022 0.000 1.124 656 N CA -1.305 51.722 53.050 -0.039 0.000 0.833 656 N CB 1.815 40.281 38.487 -0.036 0.000 1.338 656 N HN -0.280 nan 8.380 nan 0.000 0.533 657 P HA -0.160 nan 4.420 nan 0.000 0.215 657 P C 1.067 178.359 177.300 -0.015 0.000 1.163 657 P CA 1.842 64.934 63.100 -0.014 0.000 0.894 657 P CB 0.370 32.058 31.700 -0.020 0.000 0.791 658 A N -0.774 122.036 122.820 -0.018 0.000 1.858 658 A HA -0.188 4.152 4.320 0.034 0.000 0.216 658 A C 2.327 179.904 177.584 -0.012 0.000 1.190 658 A CA 1.626 53.653 52.037 -0.017 0.000 0.617 658 A CB -1.693 17.299 19.000 -0.013 0.000 0.827 658 A HN 0.089 nan 8.150 nan 0.000 0.443 659 L N -0.538 120.683 121.223 -0.002 0.000 2.013 659 L HA -0.262 4.098 4.340 0.034 0.000 0.212 659 L C 2.304 179.175 176.870 0.001 0.000 1.073 659 L CA 1.779 56.626 54.840 0.011 0.000 0.753 659 L CB -0.750 41.322 42.059 0.020 0.000 0.890 659 L HN 0.362 nan 8.230 nan 0.000 0.432 660 D N 0.163 120.561 120.400 -0.004 0.000 2.092 660 D HA -0.183 4.477 4.640 0.034 0.000 0.193 660 D C 2.208 178.493 176.300 -0.025 0.000 0.994 660 D CA 1.311 55.307 54.000 -0.007 0.000 0.828 660 D CB -0.252 40.554 40.800 0.011 0.000 0.963 660 D HN 0.259 nan 8.370 nan 0.000 0.450 661 I N 0.919 121.472 120.570 -0.028 0.000 2.185 661 I HA -0.266 3.924 4.170 0.034 0.000 0.246 661 I C 2.507 178.574 176.117 -0.084 0.000 1.088 661 I CA 1.570 62.836 61.300 -0.057 0.000 1.347 661 I CB -0.637 37.326 38.000 -0.061 0.000 1.041 661 I HN 0.052 nan 8.210 nan 0.000 0.415 662 G N -0.113 108.652 108.800 -0.059 0.000 2.480 662 G HA2 -0.260 3.720 3.960 0.034 0.000 0.216 662 G HA3 -0.260 3.720 3.960 0.034 0.000 0.216 662 G C 1.521 176.405 174.900 -0.026 0.000 1.200 662 G CA 0.427 45.497 45.100 -0.050 0.000 0.782 662 G HN 0.305 nan 8.290 nan 0.000 0.554 663 Q N 0.240 120.035 119.800 -0.008 0.000 2.062 663 Q HA -0.162 4.198 4.340 0.034 0.000 0.209 663 Q C 2.760 178.758 176.000 -0.003 0.000 0.996 663 Q CA 1.553 57.361 55.803 0.009 0.000 0.859 663 Q CB -0.423 28.310 28.738 -0.009 0.000 0.920 663 Q HN 0.635 nan 8.270 nan 0.000 0.415 664 I N 0.545 121.081 120.570 -0.058 0.000 2.286 664 I HA -0.261 3.929 4.170 0.034 0.000 0.248 664 I C 2.215 178.345 176.117 0.021 0.000 1.115 664 I CA 1.098 62.353 61.300 -0.075 0.000 1.392 664 I CB -0.312 37.616 38.000 -0.119 0.000 1.065 664 I HN 0.227 nan 8.210 nan 0.000 0.418 665 E N 0.998 121.172 120.200 -0.042 0.000 2.017 665 E HA -0.170 4.200 4.350 0.034 0.000 0.193 665 E C 2.377 179.109 176.600 0.220 0.000 0.997 665 E CA 1.388 57.758 56.400 -0.050 0.000 0.804 665 E CB -0.414 29.104 29.700 -0.304 0.000 0.757 665 E HN 0.579 nan 8.360 nan 0.000 0.448 666 G N 0.817 109.692 108.800 0.125 0.000 2.408 666 G HA2 -0.215 3.765 3.960 0.034 0.000 0.217 666 G HA3 -0.215 3.765 3.960 0.034 0.000 0.217 666 G C 1.677 176.671 174.900 0.157 0.000 1.150 666 G CA 0.790 45.978 45.100 0.147 0.000 0.776 666 G HN 0.338 nan 8.290 nan 0.000 0.542 667 A N 0.102 123.019 122.820 0.160 0.000 1.940 667 A HA -0.090 4.250 4.320 0.034 0.000 0.219 667 A C 2.200 179.816 177.584 0.054 0.000 1.176 667 A CA 1.800 53.939 52.037 0.170 0.000 0.631 667 A CB -0.664 18.416 19.000 0.134 0.000 0.814 667 A HN 0.522 nan 8.150 nan 0.000 0.446 668 Y N 0.485 120.785 120.300 0.001 0.000 2.163 668 Y HA -0.130 4.440 4.550 0.033 0.000 0.288 668 Y C 2.279 178.129 175.900 -0.083 0.000 1.136 668 Y CA 1.829 59.906 58.100 -0.039 0.000 1.147 668 Y CB -0.370 38.151 38.460 0.100 0.000 0.987 668 Y HN 0.047 nan 8.280 nan 0.000 0.509 669 V N 0.937 120.811 119.914 -0.066 0.000 2.407 669 V HA -0.336 3.804 4.120 0.034 0.000 0.248 669 V C 2.412 178.361 176.094 -0.242 0.000 1.055 669 V CA 2.378 64.569 62.300 -0.182 0.000 1.049 669 V CB -0.774 31.067 31.823 0.030 0.000 0.662 669 V HN 0.508 nan 8.190 nan 0.000 0.455 670 Q N -0.143 119.562 119.800 -0.157 0.000 2.123 670 Q HA -0.093 4.267 4.340 0.034 0.000 0.199 670 Q C 2.260 178.069 176.000 -0.319 0.000 0.966 670 Q CA 1.563 57.298 55.803 -0.114 0.000 0.845 670 Q CB -0.345 28.441 28.738 0.081 0.000 0.907 670 Q HN 0.652 nan 8.270 nan 0.000 0.439 671 G N 0.568 108.904 108.800 -0.774 0.000 2.480 671 G HA2 -0.300 3.680 3.960 0.034 0.000 0.216 671 G HA3 -0.300 3.680 3.960 0.034 0.000 0.216 671 G C 1.451 176.023 174.900 -0.548 0.000 1.200 671 G CA 1.000 45.327 45.100 -1.288 0.000 0.782 671 G HN 0.487 nan 8.290 nan 0.000 0.554 672 A N 0.819 123.290 122.820 -0.582 0.000 1.940 672 A HA 0.126 4.467 4.320 0.034 0.000 0.219 672 A C 2.716 180.128 177.584 -0.287 0.000 1.176 672 A CA 2.142 53.907 52.037 -0.454 0.000 0.631 672 A CB -1.113 17.502 19.000 -0.641 0.000 0.814 672 A HN 0.624 nan 8.150 nan 0.000 0.446 673 G N -1.523 107.127 108.800 -0.251 0.000 2.450 673 G HA2 -0.291 3.690 3.960 0.034 0.000 0.220 673 G HA3 -0.291 3.690 3.960 0.034 0.000 0.220 673 G C 1.340 176.194 174.900 -0.078 0.000 1.130 673 G CA 1.181 46.183 45.100 -0.164 0.000 0.760 673 G HN 0.789 nan 8.290 nan 0.000 0.557 674 W N 0.935 122.103 121.300 -0.221 0.000 2.436 674 W HA 0.189 4.870 4.660 0.035 0.000 0.284 674 W C 1.635 178.070 176.519 -0.141 0.000 1.225 674 W CA 0.622 57.873 57.345 -0.157 0.000 1.271 674 W CB -0.183 29.211 29.460 -0.110 0.000 1.114 674 W HN 0.089 nan 8.180 nan 0.000 0.559 675 L N 1.070 122.012 121.223 -0.469 0.000 2.607 675 L HA 0.136 4.496 4.340 0.034 0.000 0.228 675 L C 1.853 178.605 176.870 -0.198 0.000 1.123 675 L CA 0.953 55.441 54.840 -0.586 0.000 0.890 675 L CB -0.686 41.001 42.059 -0.621 0.000 1.103 675 L HN 0.081 nan 8.230 nan 0.000 0.468 676 T N -5.282 109.168 114.554 -0.172 0.000 3.330 676 T HA -0.012 4.358 4.350 0.034 0.000 0.185 676 T C 1.533 176.155 174.700 -0.130 0.000 0.874 676 T CA 0.739 62.769 62.100 -0.116 0.000 1.268 676 T CB -0.349 68.443 68.868 -0.126 0.000 1.866 676 T HN 0.078 nan 8.240 nan 0.000 0.395 677 T N -0.382 114.074 114.554 -0.163 0.000 3.065 677 T HA 0.276 4.646 4.350 0.034 0.000 0.252 677 T C 0.516 175.048 174.700 -0.279 0.000 1.099 677 T CA -0.119 61.868 62.100 -0.188 0.000 1.063 677 T CB -0.430 68.328 68.868 -0.184 0.000 0.948 677 T HN 0.491 nan 8.240 nan 0.000 0.506 678 E N 1.915 121.922 120.200 -0.321 0.000 2.257 678 E HA 0.325 4.695 4.350 0.034 0.000 0.278 678 E C -0.386 176.062 176.600 -0.253 0.000 1.049 678 E CA -0.034 56.043 56.400 -0.539 0.000 0.876 678 E CB 0.630 30.100 29.700 -0.384 0.000 1.035 678 E HN 0.482 nan 8.360 nan 0.000 0.419 679 E N 4.286 124.348 120.200 -0.230 0.000 2.278 679 E HA 0.240 4.610 4.350 0.034 0.000 0.272 679 E C -1.372 175.306 176.600 0.131 0.000 0.890 679 E CA -0.550 55.857 56.400 0.012 0.000 0.770 679 E CB 1.129 30.813 29.700 -0.027 0.000 1.212 679 E HN 0.396 nan 8.360 nan 0.000 0.415 680 L N 3.952 125.264 121.223 0.148 0.000 2.289 680 L HA 0.543 4.903 4.340 0.034 0.000 0.285 680 L C -0.760 176.028 176.870 -0.136 0.000 1.049 680 L CA -0.865 53.946 54.840 -0.048 0.000 0.804 680 L CB 1.573 43.563 42.059 -0.116 0.000 1.195 680 L HN 0.323 nan 8.230 nan 0.000 0.428 681 V N 1.899 121.623 119.914 -0.317 0.000 2.577 681 V HA 0.446 4.586 4.120 0.034 0.000 0.303 681 V C -0.783 175.177 176.094 -0.223 0.000 1.042 681 V CA -0.742 61.496 62.300 -0.104 0.000 0.872 681 V CB 2.058 33.875 31.823 -0.010 0.000 0.998 681 V HN 0.631 nan 8.190 nan 0.000 0.423 682 W N 2.432 123.789 121.300 0.095 0.000 2.627 682 W HA 0.445 5.125 4.660 0.033 0.000 0.339 682 W C -0.088 176.490 176.519 0.097 0.000 1.058 682 W CA -0.496 56.906 57.345 0.095 0.000 1.223 682 W CB 2.283 31.795 29.460 0.086 0.000 1.389 682 W HN 0.788 nan 8.180 nan 0.000 0.541 683 D N -0.147 120.448 120.400 0.325 0.000 2.440 683 D HA -0.091 4.569 4.640 0.034 0.000 0.269 683 D C 1.273 177.768 176.300 0.324 0.000 1.249 683 D CA 0.201 54.374 54.000 0.289 0.000 1.055 683 D CB -0.099 40.870 40.800 0.283 0.000 1.104 683 D HN 0.461 nan 8.370 nan 0.000 0.561 684 H N -1.811 117.314 119.070 0.091 0.000 2.556 684 H HA 0.168 4.744 4.556 0.034 0.000 0.273 684 H C 0.242 175.599 175.328 0.047 0.000 1.030 684 H CA -0.449 55.637 56.048 0.063 0.000 1.156 684 H CB -1.050 28.738 29.762 0.044 0.000 1.326 684 H HN 0.284 nan 8.280 nan 0.000 0.609 685 C N -0.397 118.877 119.300 -0.043 0.000 3.525 685 C HA 0.520 5.000 4.460 0.034 0.000 0.289 685 C C 1.671 176.653 174.990 -0.013 0.000 1.496 685 C CA 0.042 58.982 59.018 -0.129 0.000 1.804 685 C CB -0.110 27.503 27.740 -0.211 0.000 2.708 685 C HN 0.817 nan 8.230 nan 0.000 0.642 686 G N 1.928 110.782 108.800 0.091 0.000 2.160 686 G HA2 -0.221 3.759 3.960 0.034 0.000 0.244 686 G HA3 -0.221 3.759 3.960 0.034 0.000 0.244 686 G C -0.158 174.925 174.900 0.305 0.000 1.022 686 G CA -0.308 44.885 45.100 0.155 0.000 0.741 686 G HN 0.611 nan 8.290 nan 0.000 0.508 687 R N -0.413 120.253 120.500 0.276 0.000 2.229 687 R HA 0.431 4.792 4.340 0.034 0.000 0.328 687 R C 0.214 176.639 176.300 0.208 0.000 1.009 687 R CA -0.964 55.257 56.100 0.202 0.000 0.864 687 R CB 1.129 31.485 30.300 0.092 0.000 1.085 687 R HN 0.195 nan 8.270 nan 0.000 0.453 688 L N 4.634 125.915 121.223 0.095 0.000 2.600 688 L HA 0.014 4.374 4.340 0.034 0.000 0.278 688 L C 0.761 177.624 176.870 -0.011 0.000 1.139 688 L CA 0.517 55.228 54.840 -0.216 0.000 0.933 688 L CB 0.469 42.400 42.059 -0.212 0.000 1.266 688 L HN 0.694 nan 8.230 nan 0.000 0.471 689 M N 2.281 121.860 119.600 -0.035 0.000 2.394 689 M HA 0.029 4.529 4.480 0.034 0.000 0.264 689 M C 1.069 177.392 176.300 0.038 0.000 1.073 689 M CA 0.961 56.304 55.300 0.073 0.000 1.111 689 M CB -0.673 31.952 32.600 0.041 0.000 1.401 689 M HN 0.715 nan 8.290 nan 0.000 0.448 690 T N -1.203 113.322 114.554 -0.048 0.000 3.400 690 T HA 0.252 4.622 4.350 0.034 0.000 0.364 690 T C 0.343 175.031 174.700 -0.020 0.000 1.636 690 T CA -0.601 61.474 62.100 -0.042 0.000 1.211 690 T CB -0.675 68.197 68.868 0.007 0.000 1.180 690 T HN 0.546 nan 8.240 nan 0.000 0.730 691 H N 0.719 119.771 119.070 -0.029 0.000 2.567 691 H HA 0.680 5.256 4.556 0.033 0.000 0.267 691 H C -0.158 175.177 175.328 0.010 0.000 1.148 691 H CA -0.707 55.320 56.048 -0.035 0.000 1.031 691 H CB -0.061 29.675 29.762 -0.043 0.000 1.691 691 H HN 0.649 nan 8.280 nan 0.000 0.588 692 A N 1.689 124.438 122.820 -0.118 0.000 2.593 692 A HA 0.484 4.824 4.320 0.034 0.000 0.290 692 A C -2.104 175.570 177.584 0.150 0.000 1.126 692 A CA -1.472 50.556 52.037 -0.016 0.000 0.695 692 A CB 1.602 20.530 19.000 -0.121 0.000 1.290 692 A HN -0.016 nan 8.150 nan 0.000 0.414 693 P HA -0.060 nan 4.420 nan 0.000 0.222 693 P C 1.267 178.643 177.300 0.127 0.000 1.147 693 P CA 1.627 64.928 63.100 0.335 0.000 0.790 693 P CB 0.131 32.077 31.700 0.410 0.000 0.780 694 S N -0.252 115.486 115.700 0.063 0.000 2.399 694 S HA -0.081 4.409 4.470 0.034 0.000 0.231 694 S C 1.775 176.371 174.600 -0.006 0.000 1.022 694 S CA 2.029 60.237 58.200 0.012 0.000 0.983 694 S CB -0.918 62.275 63.200 -0.012 0.000 0.803 694 S HN 0.443 nan 8.310 nan 0.000 0.480 695 T N -2.904 111.650 114.554 0.000 0.000 2.985 695 T HA 0.254 4.624 4.350 0.034 0.000 0.254 695 T C -0.056 174.672 174.700 0.047 0.000 1.021 695 T CA -0.312 61.784 62.100 -0.007 0.000 0.957 695 T CB -0.164 68.675 68.868 -0.048 0.000 1.047 695 T HN 0.281 nan 8.240 nan 0.000 0.511 696 Y N 2.715 122.991 120.300 -0.040 0.000 2.356 696 Y HA 0.526 5.096 4.550 0.034 0.000 0.334 696 Y C -0.822 175.006 175.900 -0.120 0.000 0.958 696 Y CA -1.341 56.734 58.100 -0.043 0.000 1.196 696 Y CB 0.927 39.408 38.460 0.034 0.000 1.137 696 Y HN -0.194 nan 8.280 nan 0.000 0.485 697 K N 8.877 128.970 120.400 -0.511 0.000 2.356 697 K HA 0.265 4.605 4.320 0.034 0.000 0.243 697 K C -0.252 176.061 176.600 -0.478 0.000 1.072 697 K CA -0.374 55.678 56.287 -0.392 0.000 1.014 697 K CB 0.095 32.440 32.500 -0.258 0.000 1.523 697 K HN 0.806 nan 8.250 nan 0.000 0.455 698 I N -0.322 119.968 120.570 -0.467 0.000 3.138 698 I HA 0.277 4.467 4.170 0.034 0.000 0.288 698 I C -1.747 174.216 176.117 -0.256 0.000 1.148 698 I CA -1.973 59.113 61.300 -0.357 0.000 1.315 698 I CB -0.194 37.567 38.000 -0.398 0.000 1.426 698 I HN 0.207 nan 8.210 nan 0.000 0.615 699 P HA 0.172 nan 4.420 nan 0.000 0.271 699 P C -0.701 176.532 177.300 -0.110 0.000 1.233 699 P CA -0.028 62.984 63.100 -0.146 0.000 0.764 699 P CB 0.786 32.403 31.700 -0.139 0.000 0.825 700 A N 3.523 126.297 122.820 -0.076 0.000 2.282 700 A HA 0.353 4.693 4.320 0.034 0.000 0.319 700 A C 1.039 178.659 177.584 0.060 0.000 1.121 700 A CA -0.755 51.277 52.037 -0.009 0.000 0.836 700 A CB 0.002 19.000 19.000 -0.003 0.000 1.146 700 A HN 0.532 nan 8.150 nan 0.000 0.494 701 F N 1.766 121.707 119.950 -0.016 0.000 2.050 701 F HA -0.374 4.173 4.527 0.033 0.000 0.294 701 F C 2.752 178.553 175.800 0.002 0.000 1.113 701 F CA 3.270 61.273 58.000 0.005 0.000 1.225 701 F CB -0.088 38.919 39.000 0.012 0.000 0.953 701 F HN 0.605 nan 8.300 nan 0.000 0.501 702 S N -0.785 115.128 115.700 0.355 0.000 2.584 702 S HA -0.176 4.314 4.470 0.034 0.000 0.240 702 S C 1.339 175.994 174.600 0.091 0.000 0.975 702 S CA 1.319 59.654 58.200 0.224 0.000 0.949 702 S CB -0.619 62.654 63.200 0.121 0.000 0.761 702 S HN 0.485 nan 8.310 nan 0.000 0.536 703 D N 2.073 122.494 120.400 0.035 0.000 2.289 703 D HA 0.009 4.669 4.640 0.034 0.000 0.207 703 D C 0.806 177.066 176.300 -0.066 0.000 0.966 703 D CA 0.241 54.221 54.000 -0.033 0.000 0.868 703 D CB -0.262 40.498 40.800 -0.066 0.000 0.943 703 D HN 0.713 nan 8.370 nan 0.000 0.514 704 R N 1.706 122.168 120.500 -0.064 0.000 2.500 704 R HA 0.059 4.420 4.340 0.034 0.000 0.281 704 R C -2.414 173.818 176.300 -0.113 0.000 0.953 704 R CA -0.822 55.228 56.100 -0.084 0.000 1.108 704 R CB -1.002 29.268 30.300 -0.050 0.000 0.901 704 R HN -0.142 nan 8.270 nan 0.000 0.410 705 P HA -0.067 nan 4.420 nan 0.000 0.253 705 P C 0.134 177.365 177.300 -0.114 0.000 1.170 705 P CA 0.171 63.097 63.100 -0.291 0.000 0.806 705 P CB 0.496 31.775 31.700 -0.701 0.000 0.775 706 R N 4.210 124.680 120.500 -0.049 0.000 2.154 706 R HA -0.073 4.287 4.340 0.034 0.000 0.248 706 R C 0.551 176.873 176.300 0.037 0.000 1.155 706 R CA 1.505 57.612 56.100 0.010 0.000 0.979 706 R CB -0.455 29.845 30.300 0.000 0.000 0.869 706 R HN 0.461 nan 8.270 nan 0.000 0.452 707 I N -0.019 120.562 120.570 0.019 0.000 2.411 707 I HA 0.192 4.382 4.170 0.034 0.000 0.284 707 I C -1.027 175.150 176.117 0.100 0.000 1.012 707 I CA -0.440 60.896 61.300 0.059 0.000 1.119 707 I CB 1.601 39.620 38.000 0.031 0.000 1.261 707 I HN -0.072 nan 8.210 nan 0.000 0.448 708 F N 6.357 126.298 119.950 -0.016 0.000 2.434 708 F HA 0.436 4.983 4.527 0.033 0.000 0.367 708 F C -0.353 175.424 175.800 -0.039 0.000 1.093 708 F CA -0.942 57.038 58.000 -0.034 0.000 1.085 708 F CB 0.766 39.755 39.000 -0.020 0.000 1.322 708 F HN 0.446 nan 8.300 nan 0.000 0.452 709 N N 4.844 123.704 118.700 0.266 0.000 2.527 709 N HA 0.272 5.032 4.740 0.034 0.000 0.236 709 N C -0.941 174.599 175.510 0.050 0.000 0.999 709 N CA -0.170 52.937 53.050 0.095 0.000 0.935 709 N CB 2.000 40.526 38.487 0.065 0.000 1.132 709 N HN 0.167 nan 8.380 nan 0.000 0.511 710 V N 1.269 121.146 119.914 -0.061 0.000 2.370 710 V HA 0.785 4.925 4.120 0.034 0.000 0.283 710 V C 0.149 176.223 176.094 -0.033 0.000 1.023 710 V CA -0.808 61.448 62.300 -0.074 0.000 0.857 710 V CB 0.998 32.699 31.823 -0.204 0.000 0.985 710 V HN 0.659 nan 8.190 nan 0.000 0.443 711 A N 5.510 128.340 122.820 0.018 0.000 2.401 711 A HA 0.899 5.239 4.320 0.034 0.000 0.310 711 A C -0.851 176.784 177.584 0.085 0.000 1.075 711 A CA -0.688 51.372 52.037 0.039 0.000 0.746 711 A CB 1.256 20.284 19.000 0.047 0.000 1.277 711 A HN 0.755 nan 8.150 nan 0.000 0.425 712 L N 1.446 122.718 121.223 0.081 0.000 2.379 712 L HA 0.332 4.692 4.340 0.034 0.000 0.269 712 L C -0.226 176.750 176.870 0.177 0.000 1.084 712 L CA -0.484 54.434 54.840 0.129 0.000 0.802 712 L CB 1.111 43.219 42.059 0.082 0.000 1.175 712 L HN 0.808 nan 8.230 nan 0.000 0.448 713 W N 4.121 125.436 121.300 0.026 0.000 2.283 713 W HA 0.179 4.859 4.660 0.033 0.000 0.317 713 W C -0.913 175.612 176.519 0.010 0.000 1.042 713 W CA -0.473 56.876 57.345 0.006 0.000 1.348 713 W CB 1.219 30.673 29.460 -0.010 0.000 1.216 713 W HN 0.475 nan 8.180 nan 0.000 0.404 714 D N 5.451 125.648 120.400 -0.338 0.000 2.443 714 D HA 0.201 4.861 4.640 0.034 0.000 0.221 714 D C -1.006 175.064 176.300 -0.384 0.000 1.097 714 D CA 0.295 54.147 54.000 -0.247 0.000 0.865 714 D CB 0.721 41.421 40.800 -0.166 0.000 1.034 714 D HN 0.464 nan 8.370 nan 0.000 0.511 715 Q N 3.260 122.935 119.800 -0.209 0.000 2.280 715 Q HA 0.282 4.642 4.340 0.034 0.000 0.259 715 Q C -2.572 173.442 176.000 0.023 0.000 0.964 715 Q CA -1.695 54.040 55.803 -0.114 0.000 0.844 715 Q CB 2.855 31.550 28.738 -0.071 0.000 1.334 715 Q HN 0.217 nan 8.270 nan 0.000 0.423 716 P HA -0.143 nan 4.420 nan 0.000 0.263 716 P C -0.496 176.809 177.300 0.009 0.000 1.175 716 P CA 0.180 63.282 63.100 0.003 0.000 0.761 716 P CB 0.490 32.184 31.700 -0.009 0.000 0.794 717 N N 2.999 121.680 118.700 -0.032 0.000 2.454 717 N HA -0.034 4.726 4.740 0.034 0.000 0.260 717 N C 1.296 176.767 175.510 -0.065 0.000 1.218 717 N CA 0.263 53.260 53.050 -0.087 0.000 0.904 717 N CB 0.397 38.734 38.487 -0.250 0.000 1.065 717 N HN 0.250 nan 8.380 nan 0.000 0.462 718 R N 1.302 121.785 120.500 -0.028 0.000 2.127 718 R HA -0.069 4.291 4.340 0.034 0.000 0.238 718 R C 0.014 176.302 176.300 -0.021 0.000 1.134 718 R CA 0.994 57.094 56.100 -0.001 0.000 0.975 718 R CB 0.102 30.427 30.300 0.042 0.000 0.865 718 R HN 0.637 nan 8.270 nan 0.000 0.447 719 E N 0.947 121.109 120.200 -0.063 0.000 2.318 719 E HA 0.069 4.439 4.350 0.034 0.000 0.265 719 E C -0.431 176.120 176.600 -0.081 0.000 1.069 719 E CA -0.129 56.241 56.400 -0.051 0.000 0.893 719 E CB 0.729 30.407 29.700 -0.036 0.000 1.076 719 E HN 0.132 nan 8.360 nan 0.000 0.414 720 E N 1.526 121.701 120.200 -0.041 0.000 1.999 720 E HA 0.050 4.420 4.350 0.034 0.000 0.296 720 E C 0.104 176.655 176.600 -0.081 0.000 1.187 720 E CA -0.107 56.257 56.400 -0.060 0.000 1.229 720 E CB -0.169 29.511 29.700 -0.033 0.000 1.131 720 E HN 0.379 nan 8.360 nan 0.000 0.478 721 T N -1.353 113.126 114.554 -0.126 0.000 2.912 721 T HA 0.287 4.658 4.350 0.034 0.000 0.280 721 T C 0.437 175.046 174.700 -0.151 0.000 0.989 721 T CA -0.976 61.040 62.100 -0.140 0.000 0.995 721 T CB 1.083 69.848 68.868 -0.172 0.000 1.077 721 T HN 0.172 nan 8.240 nan 0.000 0.531 722 I N 2.284 122.770 120.570 -0.141 0.000 2.792 722 I HA 0.165 4.355 4.170 0.034 0.000 0.284 722 I C -0.284 175.891 176.117 0.098 0.000 1.166 722 I CA -0.239 61.018 61.300 -0.072 0.000 1.375 722 I CB -1.761 36.222 38.000 -0.028 0.000 1.421 722 I HN 0.739 nan 8.210 nan 0.000 0.544 723 F N 7.077 126.969 119.950 -0.098 0.000 3.027 723 F HA -0.307 4.240 4.527 0.033 0.000 0.276 723 F C 1.136 176.893 175.800 -0.072 0.000 0.967 723 F CA 0.822 58.777 58.000 -0.074 0.000 0.929 723 F CB -1.187 37.775 39.000 -0.064 0.000 0.873 723 F HN 0.671 nan 8.300 nan 0.000 0.787 724 R N -2.406 118.097 120.500 0.005 0.000 3.946 724 R HA -0.240 4.120 4.340 0.034 0.000 0.329 724 R C 0.890 177.174 176.300 -0.027 0.000 1.209 724 R CA 1.041 57.124 56.100 -0.028 0.000 0.909 724 R CB -2.501 27.795 30.300 -0.008 0.000 1.355 724 R HN 0.675 nan 8.270 nan 0.000 0.539 725 S N 0.326 116.023 115.700 -0.005 0.000 2.617 725 S HA 0.454 4.944 4.470 0.034 0.000 0.255 725 S C 0.235 174.808 174.600 -0.045 0.000 1.318 725 S CA -0.265 57.936 58.200 0.002 0.000 0.978 725 S CB 1.882 65.099 63.200 0.029 0.000 0.961 725 S HN 0.283 nan 8.310 nan 0.000 0.582 726 K N -0.076 120.343 120.400 0.033 0.000 2.615 726 K HA 0.521 4.861 4.320 0.034 0.000 0.249 726 K C -0.895 175.818 176.600 0.188 0.000 0.977 726 K CA -0.419 55.936 56.287 0.113 0.000 0.833 726 K CB 1.603 34.188 32.500 0.141 0.000 1.208 726 K HN 0.911 nan 8.250 nan 0.000 0.443 727 A N 2.856 125.829 122.820 0.254 0.000 2.550 727 A HA -0.000 4.340 4.320 0.034 0.000 0.263 727 A C 0.621 178.262 177.584 0.094 0.000 1.065 727 A CA 0.262 52.379 52.037 0.133 0.000 0.786 727 A CB 0.095 19.148 19.000 0.089 0.000 0.985 727 A HN 0.560 nan 8.150 nan 0.000 0.518 728 V N 3.847 123.789 119.914 0.046 0.000 3.319 728 V HA 0.213 4.353 4.120 0.034 0.000 0.317 728 V C 1.640 177.697 176.094 -0.062 0.000 1.411 728 V CA 1.037 63.345 62.300 0.013 0.000 1.112 728 V CB -0.215 31.622 31.823 0.024 0.000 1.031 728 V HN 1.047 nan 8.190 nan 0.000 0.448 729 G N 0.260 109.023 108.800 -0.061 0.000 2.556 729 G HA2 -0.168 3.812 3.960 0.034 0.000 0.215 729 G HA3 -0.168 3.812 3.960 0.034 0.000 0.215 729 G C 1.181 176.015 174.900 -0.110 0.000 1.258 729 G CA 1.071 46.128 45.100 -0.071 0.000 0.811 729 G HN 0.545 nan 8.290 nan 0.000 0.557 730 E N 0.858 120.931 120.200 -0.211 0.000 2.051 730 E HA -0.032 4.338 4.350 0.034 0.000 0.189 730 E C 0.072 176.328 176.600 -0.572 0.000 0.979 730 E CA 0.743 56.910 56.400 -0.388 0.000 0.803 730 E CB -0.385 29.006 29.700 -0.516 0.000 0.761 730 E HN 0.262 nan 8.360 nan 0.000 0.451 731 P HA -0.197 nan 4.420 nan 0.000 0.219 731 P C -1.631 175.590 177.300 -0.131 0.000 1.161 731 P CA 2.227 65.041 63.100 -0.476 0.000 0.909 731 P CB -0.983 30.703 31.700 -0.024 0.000 0.793 732 P HA -0.083 nan 4.420 nan 0.000 0.242 732 P C 1.216 178.540 177.300 0.040 0.000 1.197 732 P CA 0.535 63.553 63.100 -0.138 0.000 0.765 732 P CB -0.659 30.792 31.700 -0.416 0.000 0.936 733 F N 1.212 121.098 119.950 -0.107 0.000 2.186 733 F HA -0.098 4.449 4.527 0.034 0.000 0.299 733 F C 1.694 177.497 175.800 0.006 0.000 1.090 733 F CA 1.140 59.106 58.000 -0.057 0.000 1.307 733 F CB -0.579 38.344 39.000 -0.129 0.000 1.019 733 F HN -0.279 nan 8.300 nan 0.000 0.489 734 L N 0.354 121.685 121.223 0.180 0.000 2.633 734 L HA -0.134 4.226 4.340 0.034 0.000 0.235 734 L C 1.855 178.808 176.870 0.138 0.000 1.163 734 L CA 0.854 55.800 54.840 0.176 0.000 0.859 734 L CB -0.844 41.321 42.059 0.176 0.000 0.973 734 L HN 0.230 nan 8.230 nan 0.000 0.451 735 L N -1.068 120.241 121.223 0.143 0.000 2.291 735 L HA -0.062 4.298 4.340 0.034 0.000 0.214 735 L C 2.523 179.566 176.870 0.290 0.000 1.120 735 L CA 0.914 55.895 54.840 0.235 0.000 0.799 735 L CB -0.958 41.282 42.059 0.300 0.000 0.925 735 L HN 0.391 nan 8.230 nan 0.000 0.446 736 G N 0.457 109.282 108.800 0.042 0.000 2.462 736 G HA2 -0.232 3.748 3.960 0.034 0.000 0.220 736 G HA3 -0.232 3.748 3.960 0.034 0.000 0.220 736 G C 1.575 176.453 174.900 -0.038 0.000 1.121 736 G CA 0.527 45.506 45.100 -0.201 0.000 0.758 736 G HN 0.298 nan 8.290 nan 0.000 0.559 737 I N 0.925 121.524 120.570 0.049 0.000 2.145 737 I HA -0.301 3.889 4.170 0.034 0.000 0.244 737 I C 2.984 179.194 176.117 0.154 0.000 1.075 737 I CA 1.498 62.858 61.300 0.099 0.000 1.332 737 I CB -0.432 37.649 38.000 0.134 0.000 1.033 737 I HN 0.297 nan 8.210 nan 0.000 0.410 738 S N 0.424 116.223 115.700 0.166 0.000 2.393 738 S HA -0.364 4.126 4.470 0.034 0.000 0.234 738 S C 2.119 176.806 174.600 0.144 0.000 1.064 738 S CA 2.138 60.437 58.200 0.165 0.000 1.088 738 S CB -0.341 62.975 63.200 0.192 0.000 0.939 738 S HN 0.547 nan 8.310 nan 0.000 0.448 739 A N -0.207 122.698 122.820 0.141 0.000 1.929 739 A HA 0.076 4.417 4.320 0.034 0.000 0.216 739 A C 1.993 179.606 177.584 0.049 0.000 1.176 739 A CA 1.447 53.525 52.037 0.069 0.000 0.628 739 A CB -0.956 18.035 19.000 -0.015 0.000 0.816 739 A HN 0.686 nan 8.150 nan 0.000 0.444 740 F N 0.067 119.969 119.950 -0.080 0.000 2.134 740 F HA -0.111 4.436 4.527 0.034 0.000 0.299 740 F C 1.746 177.525 175.800 -0.035 0.000 1.097 740 F CA 1.414 59.358 58.000 -0.093 0.000 1.264 740 F CB -0.144 38.769 39.000 -0.146 0.000 1.001 740 F HN 0.143 nan 8.300 nan 0.000 0.479 741 L N 0.246 121.515 121.223 0.077 0.000 2.093 741 L HA -0.050 4.310 4.340 0.034 0.000 0.208 741 L C 2.679 179.561 176.870 0.019 0.000 1.085 741 L CA 1.772 56.630 54.840 0.029 0.000 0.755 741 L CB -1.479 40.644 42.059 0.106 0.000 0.904 741 L HN 0.200 nan 8.230 nan 0.000 0.435 742 A N -1.220 121.611 122.820 0.019 0.000 1.930 742 A HA -0.168 4.172 4.320 0.034 0.000 0.217 742 A C 2.206 179.753 177.584 -0.062 0.000 1.175 742 A CA 1.358 53.398 52.037 0.005 0.000 0.627 742 A CB -0.692 18.318 19.000 0.018 0.000 0.815 742 A HN 0.297 nan 8.150 nan 0.000 0.443 743 L N -0.738 120.415 121.223 -0.116 0.000 2.083 743 L HA -0.143 4.217 4.340 0.034 0.000 0.209 743 L C 2.345 179.083 176.870 -0.220 0.000 1.083 743 L CA 2.520 57.255 54.840 -0.176 0.000 0.752 743 L CB -0.939 40.986 42.059 -0.223 0.000 0.899 743 L HN 0.712 nan 8.230 nan 0.000 0.433 744 H N -1.495 117.352 119.070 -0.370 0.000 2.389 744 H HA -0.170 4.406 4.556 0.034 0.000 0.299 744 H C 1.959 177.151 175.328 -0.226 0.000 1.081 744 H CA 1.901 57.727 56.048 -0.370 0.000 1.345 744 H CB 0.008 29.504 29.762 -0.442 0.000 1.393 744 H HN 0.436 nan 8.280 nan 0.000 0.520 745 D N -0.211 120.117 120.400 -0.119 0.000 2.178 745 D HA -0.110 4.551 4.640 0.034 0.000 0.201 745 D C 2.186 178.401 176.300 -0.141 0.000 0.980 745 D CA 1.229 55.169 54.000 -0.100 0.000 0.842 745 D CB -0.304 40.503 40.800 0.012 0.000 0.948 745 D HN 0.525 nan 8.370 nan 0.000 0.472 746 A N -0.426 122.310 122.820 -0.140 0.000 1.873 746 A HA -0.147 4.193 4.320 0.034 0.000 0.215 746 A C 2.557 180.054 177.584 -0.146 0.000 1.186 746 A CA 1.358 53.326 52.037 -0.115 0.000 0.616 746 A CB -1.026 17.913 19.000 -0.101 0.000 0.823 746 A HN 0.482 nan 8.150 nan 0.000 0.442 747 C N -0.945 118.218 119.300 -0.228 0.000 2.425 747 C HA 0.048 4.528 4.460 0.034 0.000 0.277 747 C C 3.297 178.129 174.990 -0.264 0.000 1.280 747 C CA 0.739 59.607 59.018 -0.250 0.000 1.744 747 C CB -1.322 26.223 27.740 -0.324 0.000 1.989 747 C HN 0.694 nan 8.230 nan 0.000 0.491 748 A N 0.304 122.903 122.820 -0.368 0.000 2.024 748 A HA 0.028 4.368 4.320 0.034 0.000 0.220 748 A C 2.240 179.750 177.584 -0.122 0.000 1.164 748 A CA 1.920 53.795 52.037 -0.269 0.000 0.643 748 A CB -0.634 18.193 19.000 -0.289 0.000 0.806 748 A HN 0.616 nan 8.150 nan 0.000 0.451 749 A N -1.605 121.154 122.820 -0.102 0.000 2.209 749 A HA 0.050 4.390 4.320 0.034 0.000 0.212 749 A C 2.032 179.597 177.584 -0.031 0.000 1.158 749 A CA 1.218 53.227 52.037 -0.046 0.000 0.742 749 A CB -0.885 18.102 19.000 -0.022 0.000 0.790 749 A HN 0.602 nan 8.150 nan 0.000 0.472 750 C N -1.321 117.952 119.300 -0.045 0.000 2.631 750 C HA 0.423 4.903 4.460 0.034 0.000 0.283 750 C C 1.789 176.776 174.990 -0.006 0.000 1.295 750 C CA 0.393 59.395 59.018 -0.027 0.000 1.697 750 C CB -1.059 26.657 27.740 -0.041 0.000 2.128 750 C HN 0.626 nan 8.230 nan 0.000 0.503 751 G N -0.285 108.519 108.800 0.007 0.000 2.788 751 G HA2 0.523 4.503 3.960 0.034 0.000 0.293 751 G HA3 0.523 4.503 3.960 0.034 0.000 0.293 751 G C -2.144 172.783 174.900 0.046 0.000 1.305 751 G CA -0.308 44.825 45.100 0.054 0.000 1.005 751 G HN 0.138 nan 8.290 nan 0.000 0.496 752 P HA 0.066 nan 4.420 nan 0.000 0.245 752 P C 0.047 177.292 177.300 -0.093 0.000 1.206 752 P CA 0.427 63.491 63.100 -0.061 0.000 0.781 752 P CB 0.167 31.781 31.700 -0.143 0.000 0.994 753 H N -0.922 118.184 119.070 0.061 0.000 2.495 753 H HA 0.086 4.662 4.556 0.033 0.000 0.350 753 H C -0.150 175.275 175.328 0.162 0.000 1.202 753 H CA -0.579 55.537 56.048 0.114 0.000 1.322 753 H CB 1.051 30.864 29.762 0.085 0.000 1.544 753 H HN 0.164 nan 8.280 nan 0.000 0.565 754 W N 4.325 125.740 121.300 0.192 0.000 2.419 754 W HA 0.088 4.768 4.660 0.033 0.000 0.312 754 W C -2.252 174.350 176.519 0.138 0.000 1.323 754 W CA -1.904 55.546 57.345 0.175 0.000 1.293 754 W CB 0.619 30.222 29.460 0.237 0.000 1.324 754 W HN 0.515 nan 8.180 nan 0.000 0.512 755 P HA -0.187 nan 4.420 nan 0.000 0.217 755 P C -0.011 177.017 177.300 -0.454 0.000 1.150 755 P CA 1.580 64.406 63.100 -0.457 0.000 0.832 755 P CB 0.114 31.494 31.700 -0.533 0.000 0.787 756 D N -2.188 117.698 120.400 -0.856 0.000 2.746 756 D HA -0.155 4.505 4.640 0.034 0.000 0.241 756 D C -0.604 175.635 176.300 -0.102 0.000 1.140 756 D CA 0.137 53.965 54.000 -0.288 0.000 0.707 756 D CB -1.353 39.499 40.800 0.088 0.000 1.034 756 D HN -0.000 nan 8.370 nan 0.000 0.423 757 L N 1.296 122.425 121.223 -0.157 0.000 2.416 757 L HA 0.279 4.639 4.340 0.034 0.000 0.272 757 L C 0.260 177.255 176.870 0.209 0.000 1.161 757 L CA 0.450 55.253 54.840 -0.063 0.000 0.845 757 L CB 0.864 42.769 42.059 -0.258 0.000 1.119 757 L HN 0.072 nan 8.230 nan 0.000 0.464 758 Q N 3.808 123.770 119.800 0.271 0.000 2.257 758 Q HA 0.629 4.989 4.340 0.034 0.000 0.262 758 Q C -0.729 175.532 176.000 0.435 0.000 0.997 758 Q CA -0.631 55.412 55.803 0.401 0.000 0.873 758 Q CB 1.758 30.635 28.738 0.232 0.000 1.312 758 Q HN 0.781 nan 8.270 nan 0.000 0.450 759 A N 3.308 126.265 122.820 0.228 0.000 2.274 759 A HA 0.617 4.957 4.320 0.034 0.000 0.309 759 A C -2.185 175.354 177.584 -0.074 0.000 1.226 759 A CA -1.331 50.638 52.037 -0.112 0.000 0.853 759 A CB 0.151 18.789 19.000 -0.604 0.000 1.146 759 A HN 0.370 nan 8.150 nan 0.000 0.518 760 P HA 0.362 nan 4.420 nan 0.000 0.281 760 P C -0.310 177.020 177.300 0.050 0.000 1.249 760 P CA -0.346 62.701 63.100 -0.090 0.000 0.810 760 P CB 1.493 33.132 31.700 -0.102 0.000 1.008 761 A N 1.828 124.712 122.820 0.107 0.000 3.118 761 A HA 0.338 4.678 4.320 0.034 0.000 0.256 761 A C 0.891 178.467 177.584 -0.013 0.000 1.667 761 A CA -0.248 51.835 52.037 0.076 0.000 1.338 761 A CB -1.556 17.475 19.000 0.052 0.000 1.127 761 A HN 0.596 nan 8.150 nan 0.000 0.634 762 T N -1.184 113.357 114.554 -0.021 0.000 2.856 762 T HA 0.230 4.600 4.350 0.034 0.000 0.306 762 T C -1.142 173.533 174.700 -0.042 0.000 1.062 762 T CA -0.914 61.160 62.100 -0.044 0.000 1.083 762 T CB 0.489 69.332 68.868 -0.041 0.000 0.984 762 T HN 0.267 nan 8.240 nan 0.000 0.542 763 P HA -0.217 nan 4.420 nan 0.000 0.217 763 P C 1.297 178.576 177.300 -0.036 0.000 1.151 763 P CA 1.556 64.630 63.100 -0.043 0.000 0.849 763 P CB 0.144 31.819 31.700 -0.041 0.000 0.787 764 E N -0.000 120.183 120.200 -0.028 0.000 2.047 764 E HA -0.126 4.244 4.350 0.034 0.000 0.191 764 E C 2.110 178.700 176.600 -0.017 0.000 0.987 764 E CA 1.178 57.566 56.400 -0.020 0.000 0.799 764 E CB -0.522 29.171 29.700 -0.012 0.000 0.752 764 E HN 0.102 nan 8.360 nan 0.000 0.449 765 A N 0.340 123.154 122.820 -0.011 0.000 2.015 765 A HA -0.068 4.273 4.320 0.034 0.000 0.219 765 A C 2.294 179.861 177.584 -0.028 0.000 1.163 765 A CA 1.034 53.070 52.037 -0.001 0.000 0.646 765 A CB -0.297 18.718 19.000 0.026 0.000 0.806 765 A HN 0.226 nan 8.150 nan 0.000 0.448 766 V N -0.416 119.469 119.914 -0.047 0.000 2.323 766 V HA -0.202 3.938 4.120 0.034 0.000 0.244 766 V C 2.443 178.492 176.094 -0.074 0.000 1.041 766 V CA 1.793 64.046 62.300 -0.079 0.000 1.025 766 V CB -0.748 31.025 31.823 -0.083 0.000 0.656 766 V HN 0.603 nan 8.190 nan 0.000 0.451 767 L N 0.991 122.182 121.223 -0.054 0.000 2.043 767 L HA -0.170 4.190 4.340 0.034 0.000 0.212 767 L C 2.378 179.219 176.870 -0.048 0.000 1.075 767 L CA 2.373 57.184 54.840 -0.047 0.000 0.752 767 L CB -0.655 41.383 42.059 -0.035 0.000 0.891 767 L HN 0.249 nan 8.230 nan 0.000 0.432 768 A N -1.063 121.733 122.820 -0.040 0.000 2.121 768 A HA 0.021 4.362 4.320 0.034 0.000 0.218 768 A C 2.308 179.860 177.584 -0.052 0.000 1.154 768 A CA 1.480 53.496 52.037 -0.034 0.000 0.679 768 A CB -0.790 18.201 19.000 -0.014 0.000 0.795 768 A HN 0.589 nan 8.150 nan 0.000 0.458 769 A N -0.879 121.893 122.820 -0.080 0.000 1.924 769 A HA 0.223 4.563 4.320 0.034 0.000 0.211 769 A C 2.100 179.606 177.584 -0.130 0.000 1.198 769 A CA 1.055 53.016 52.037 -0.126 0.000 0.657 769 A CB -0.696 18.201 19.000 -0.172 0.000 0.852 769 A HN 0.265 nan 8.150 nan 0.000 0.454 770 V N 0.646 120.493 119.914 -0.112 0.000 2.252 770 V HA -0.339 3.801 4.120 0.034 0.000 0.249 770 V C 2.651 178.704 176.094 -0.068 0.000 1.056 770 V CA 2.568 64.814 62.300 -0.090 0.000 1.022 770 V CB -0.848 30.933 31.823 -0.070 0.000 0.641 770 V HN 0.692 nan 8.190 nan 0.000 0.445 771 R N -0.356 120.108 120.500 -0.061 0.000 2.103 771 R HA -0.215 4.145 4.340 0.034 0.000 0.242 771 R C 2.517 178.778 176.300 -0.064 0.000 1.142 771 R CA 1.925 57.993 56.100 -0.053 0.000 0.960 771 R CB -0.210 30.064 30.300 -0.044 0.000 0.858 771 R HN 0.461 nan 8.270 nan 0.000 0.439 772 R N -0.509 119.950 120.500 -0.068 0.000 2.062 772 R HA -0.031 4.329 4.340 0.034 0.000 0.229 772 R C 2.393 178.653 176.300 -0.067 0.000 1.128 772 R CA 1.230 57.287 56.100 -0.072 0.000 0.960 772 R CB -0.351 29.919 30.300 -0.050 0.000 0.855 772 R HN 0.273 nan 8.270 nan 0.000 0.432 773 A N 1.491 124.293 122.820 -0.030 0.000 1.908 773 A HA -0.222 4.118 4.320 0.034 0.000 0.218 773 A C 1.855 179.492 177.584 0.088 0.000 1.181 773 A CA 1.596 53.665 52.037 0.053 0.000 0.627 773 A CB -0.401 18.583 19.000 -0.026 0.000 0.818 773 A HN 0.355 nan 8.150 nan 0.000 0.445 774 E N -1.500 118.703 120.200 0.005 0.000 2.268 774 E HA 0.186 4.557 4.350 0.034 0.000 0.195 774 E C 0.878 177.456 176.600 -0.037 0.000 0.995 774 E CA 0.302 56.707 56.400 0.007 0.000 0.836 774 E CB -0.223 29.466 29.700 -0.018 0.000 0.763 774 E HN 0.813 nan 8.360 nan 0.000 0.491 775 G N 1.971 110.674 108.800 -0.161 0.000 2.623 775 G HA2 -0.220 3.761 3.960 0.034 0.000 0.281 775 G HA3 -0.220 3.761 3.960 0.034 0.000 0.281 775 G C -0.640 174.182 174.900 -0.131 0.000 1.087 775 G CA -0.280 44.654 45.100 -0.276 0.000 1.244 775 G HN -0.027 nan 8.290 nan 0.000 0.544 776 R N 0.097 120.535 120.500 -0.103 0.000 2.621 776 R HA 0.855 5.215 4.340 0.034 0.000 0.284 776 R C 0.624 176.894 176.300 -0.050 0.000 0.998 776 R CA -0.011 56.053 56.100 -0.061 0.000 0.895 776 R CB 1.401 31.674 30.300 -0.045 0.000 1.195 776 R HN 2.161 nan 8.270 nan 0.000 0.450 777 A N 0.000 122.799 122.820 -0.036 0.000 2.254 777 A HA 0.000 4.340 4.320 0.034 0.000 0.244 777 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 777 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486