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 1gqi_1_B DATA FIRST_RESID 5 DATA SEQUENCE EDGYDMWLRY QPIADQTLLK TYQKQIRHLH VAGDSPTINA AAAELQRGLS DATA SEQUENCE GLLNKPIVAR DEKLKDYSLV IGTPDNSPLI ASLNLGERLQ ALGAEGYLLE DATA SEQUENCE QTRINKRHVV IVAANSDVGV LYGSFHLLRL IQTQHALEKL SLSSAPRLQH DATA SEQUENCE RVVNHWDNLN RVVERGYAGL SLWDWGSLPN YLAPRYTDYA RINASLGING DATA SEQUENCE TVINNVNADP RVLSDQFLQK IAALADAFRP YGIKMYLSIN FNSPRAFGDV DATA SEQUENCE DTADPLDPRV QQWWKTRAQK IYSYIPDFGG FLVKADSEGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAFVYHPDIE DRFRGAYDEF MPLDGKFADN DATA SEQUENCE VILQIKNGPI DFQPREPFSA LFAGMSRTNM MMEFQITQEY FGFATHLAYQ DATA SEQUENCE GPLFEESLKT ETHARGEGST IGNILEGKVF KTRHTGMAGV INPGTDRNWT DATA SEQUENCE GHPFVQSSWY AFGRMAWDHQ ISAATAADEW LRMTFSNQPA FIEPVKQMML DATA SEQUENCE VSREAGVNYR SPLGLTHLYS QGDHYGPAPW TDDLPRADWT AVYYHRASKT DATA SEQUENCE GIGFNRTKTG SNALAQYPEP IAKAWGDLNS VPEDLILWFH HLSWDHRMQS DATA SEQUENCE GRNLWQELVH KYYQGVEQVR AMQRTWDQQE AYVDAARFAQ VKALLQVQER DATA SEQUENCE EAVRWRNSCV LYFQSVAGRP IPANYEQPEH DLEYYKMLAR TTYVPEPWHP DATA SEQUENCE ASSSRVLK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.630 176.600 0.050 0.000 1.382 5 E CA 0.000 56.416 56.400 0.027 0.000 0.976 5 E CB 0.000 29.713 29.700 0.022 0.000 0.812 6 D N 0.741 121.171 120.400 0.051 0.000 2.440 6 D HA 0.200 4.840 4.640 -0.001 0.000 0.216 6 D C 1.214 177.571 176.300 0.096 0.000 1.150 6 D CA 0.264 54.307 54.000 0.072 0.000 0.832 6 D CB 0.541 41.376 40.800 0.059 0.000 0.992 6 D HN 0.683 nan 8.370 nan 0.000 0.502 7 G N 0.342 109.182 108.800 0.067 0.000 2.184 7 G HA2 -0.469 3.490 3.960 -0.001 0.000 0.264 7 G HA3 -0.469 3.490 3.960 -0.001 0.000 0.264 7 G C 0.728 175.715 174.900 0.144 0.000 0.975 7 G CA 0.483 45.620 45.100 0.063 0.000 0.642 7 G HN 0.399 nan 8.290 nan 0.000 0.536 8 Y N 1.561 121.905 120.300 0.073 0.000 2.274 8 Y HA -0.003 4.547 4.550 -0.000 0.000 0.290 8 Y C 2.188 178.204 175.900 0.193 0.000 1.145 8 Y CA 2.204 60.417 58.100 0.189 0.000 1.203 8 Y CB 0.136 38.635 38.460 0.065 0.000 0.984 8 Y HN 0.311 nan 8.280 nan 0.000 0.533 9 D N -0.038 120.345 120.400 -0.029 0.000 2.347 9 D HA -0.092 4.547 4.640 -0.001 0.000 0.215 9 D C 1.410 177.399 176.300 -0.518 0.000 0.976 9 D CA 0.975 54.817 54.000 -0.263 0.000 0.884 9 D CB 0.054 40.731 40.800 -0.204 0.000 0.915 9 D HN 0.360 nan 8.370 nan 0.000 0.526 10 M N -0.780 118.547 119.600 -0.454 0.000 7.319 10 M HA -0.294 4.186 4.480 -0.001 0.000 0.313 10 M C 1.068 177.053 176.300 -0.526 0.000 0.480 10 M CA 1.830 56.771 55.300 -0.599 0.000 1.311 10 M CB -2.030 29.852 32.600 -1.197 0.000 0.421 10 M HN 0.361 nan 8.290 nan 0.000 0.747 11 W N 1.560 122.626 121.300 -0.390 0.000 3.353 11 W HA 0.598 5.258 4.660 -0.000 0.000 0.304 11 W C 0.652 176.939 176.519 -0.386 0.000 1.273 11 W CA -0.248 56.841 57.345 -0.427 0.000 1.773 11 W CB -0.579 28.656 29.460 -0.374 0.000 1.095 11 W HN 0.289 nan 8.180 nan 0.000 0.676 12 L N 2.845 123.746 121.223 -0.538 0.000 2.719 12 L HA 0.395 4.734 4.340 -0.001 0.000 0.236 12 L C 0.182 176.513 176.870 -0.898 0.000 1.285 12 L CA -0.217 54.229 54.840 -0.657 0.000 1.222 12 L CB -0.397 41.318 42.059 -0.573 0.000 1.493 12 L HN -0.101 nan 8.230 nan 0.000 0.415 13 R N 0.662 120.798 120.500 -0.607 0.000 2.204 13 R HA 0.267 4.606 4.340 -0.001 0.000 0.341 13 R C -1.069 175.068 176.300 -0.273 0.000 1.035 13 R CA -0.510 55.342 56.100 -0.414 0.000 0.887 13 R CB 0.708 30.849 30.300 -0.265 0.000 1.114 13 R HN 0.151 nan 8.270 nan 0.000 0.473 14 Y N 2.097 122.374 120.300 -0.038 0.000 2.849 14 Y HA 0.210 4.759 4.550 -0.001 0.000 0.356 14 Y C 0.319 176.202 175.900 -0.028 0.000 1.236 14 Y CA -0.666 57.416 58.100 -0.030 0.000 1.508 14 Y CB 0.164 38.611 38.460 -0.022 0.000 1.619 14 Y HN 0.359 nan 8.280 nan 0.000 0.513 15 Q N 1.938 121.792 119.800 0.091 0.000 2.214 15 Q HA 0.382 4.721 4.340 -0.001 0.000 0.251 15 Q C -2.380 173.646 176.000 0.044 0.000 0.936 15 Q CA -2.260 53.571 55.803 0.046 0.000 0.894 15 Q CB 1.091 29.833 28.738 0.006 0.000 1.252 15 Q HN 0.179 nan 8.270 nan 0.000 0.448 16 P HA -0.072 nan 4.420 nan 0.000 0.264 16 P C -0.602 176.721 177.300 0.038 0.000 1.183 16 P CA 0.138 63.257 63.100 0.031 0.000 0.763 16 P CB 0.336 32.050 31.700 0.022 0.000 0.807 17 I N 2.471 123.075 120.570 0.058 0.000 2.741 17 I HA -0.090 4.080 4.170 -0.001 0.000 0.288 17 I C 1.643 177.794 176.117 0.058 0.000 1.192 17 I CA 0.547 61.896 61.300 0.082 0.000 1.426 17 I CB -0.165 37.933 38.000 0.164 0.000 1.367 17 I HN 0.476 nan 8.210 nan 0.000 0.563 18 A N 5.636 128.482 122.820 0.042 0.000 1.970 18 A HA -0.085 4.235 4.320 -0.001 0.000 0.216 18 A C 1.042 178.637 177.584 0.020 0.000 1.170 18 A CA 0.456 52.507 52.037 0.024 0.000 0.645 18 A CB -0.188 18.820 19.000 0.014 0.000 0.816 18 A HN 0.748 nan 8.150 nan 0.000 0.447 19 D N 0.369 120.784 120.400 0.025 0.000 2.342 19 D HA 0.080 4.719 4.640 -0.001 0.000 0.260 19 D C 0.723 177.023 176.300 0.001 0.000 1.278 19 D CA -0.074 53.931 54.000 0.007 0.000 0.910 19 D CB 0.660 41.461 40.800 0.001 0.000 1.079 19 D HN 0.205 nan 8.370 nan 0.000 0.496 20 Q N 2.306 122.102 119.800 -0.007 0.000 2.124 20 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 20 Q C 1.734 177.716 176.000 -0.030 0.000 0.977 20 Q CA 1.199 56.995 55.803 -0.012 0.000 0.850 20 Q CB -0.349 28.382 28.738 -0.013 0.000 0.901 20 Q HN 0.530 nan 8.270 nan 0.000 0.429 21 T N 1.726 116.255 114.554 -0.042 0.000 2.777 21 T HA -0.033 4.316 4.350 -0.001 0.000 0.266 21 T C 2.085 176.722 174.700 -0.105 0.000 1.040 21 T CA 0.725 62.787 62.100 -0.064 0.000 1.141 21 T CB -0.163 68.669 68.868 -0.060 0.000 0.868 21 T HN 0.155 nan 8.240 nan 0.000 0.444 22 L N 0.471 121.622 121.223 -0.120 0.000 2.056 22 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 22 L C 2.454 179.176 176.870 -0.246 0.000 1.078 22 L CA 0.669 55.364 54.840 -0.242 0.000 0.749 22 L CB -0.579 41.363 42.059 -0.196 0.000 0.901 22 L HN 0.221 nan 8.230 nan 0.000 0.433 23 L N 0.061 121.260 121.223 -0.040 0.000 2.012 23 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 23 L C 2.558 179.442 176.870 0.024 0.000 1.073 23 L CA 1.869 56.757 54.840 0.079 0.000 0.748 23 L CB -0.613 41.486 42.059 0.066 0.000 0.891 23 L HN 0.059 nan 8.230 nan 0.000 0.431 24 K N -0.690 119.688 120.400 -0.037 0.000 2.097 24 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 24 K C 2.047 178.600 176.600 -0.077 0.000 1.049 24 K CA 1.783 58.040 56.287 -0.051 0.000 0.933 24 K CB -1.075 31.388 32.500 -0.061 0.000 0.717 24 K HN 0.433 nan 8.250 nan 0.000 0.442 25 T N 0.936 115.409 114.554 -0.135 0.000 2.708 25 T HA -0.137 4.213 4.350 -0.001 0.000 0.266 25 T C 1.776 176.419 174.700 -0.095 0.000 1.037 25 T CA 1.335 63.335 62.100 -0.166 0.000 1.146 25 T CB -0.362 68.352 68.868 -0.257 0.000 0.865 25 T HN 0.107 nan 8.240 nan 0.000 0.435 26 Y N 1.932 122.212 120.300 -0.033 0.000 2.224 26 Y HA -0.087 4.463 4.550 -0.001 0.000 0.289 26 Y C 2.691 178.562 175.900 -0.048 0.000 1.146 26 Y CA 0.468 58.552 58.100 -0.027 0.000 1.182 26 Y CB -0.805 37.646 38.460 -0.016 0.000 0.983 26 Y HN 0.334 nan 8.280 nan 0.000 0.524 27 Q N -0.030 119.831 119.800 0.101 0.000 2.170 27 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 27 Q C 2.037 177.999 176.000 -0.064 0.000 0.976 27 Q CA 1.345 57.152 55.803 0.007 0.000 0.858 27 Q CB -0.139 28.590 28.738 -0.015 0.000 0.907 27 Q HN 0.478 nan 8.270 nan 0.000 0.433 28 K N 0.334 120.673 120.400 -0.102 0.000 2.116 28 K HA -0.110 4.209 4.320 -0.001 0.000 0.203 28 K C 2.036 178.470 176.600 -0.277 0.000 1.052 28 K CA 0.937 57.079 56.287 -0.242 0.000 0.952 28 K CB 0.113 32.456 32.500 -0.261 0.000 0.729 28 K HN 0.233 nan 8.250 nan 0.000 0.446 29 Q N -0.025 119.736 119.800 -0.065 0.000 2.137 29 Q HA 0.021 4.360 4.340 -0.001 0.000 0.198 29 Q C 0.162 176.257 176.000 0.159 0.000 0.960 29 Q CA 0.627 56.486 55.803 0.095 0.000 0.847 29 Q CB 0.464 29.284 28.738 0.137 0.000 0.915 29 Q HN 0.133 nan 8.270 nan 0.000 0.448 30 I N 0.898 121.518 120.570 0.084 0.000 2.502 30 I HA 0.225 4.394 4.170 -0.001 0.000 0.276 30 I C 0.353 176.463 176.117 -0.011 0.000 1.057 30 I CA 0.129 61.468 61.300 0.065 0.000 1.163 30 I CB 1.062 39.082 38.000 0.034 0.000 1.288 30 I HN 0.128 nan 8.210 nan 0.000 0.479 31 R N 2.869 123.350 120.500 -0.032 0.000 2.282 31 R HA 0.233 4.572 4.340 -0.001 0.000 0.195 31 R C -0.041 175.914 176.300 -0.575 0.000 0.909 31 R CA 0.355 56.283 56.100 -0.286 0.000 1.039 31 R CB 0.538 30.652 30.300 -0.310 0.000 1.015 31 R HN 0.539 nan 8.270 nan 0.000 0.513 32 H N -0.725 118.384 119.070 0.065 0.000 3.016 32 H HA 0.279 4.835 4.556 -0.001 0.000 0.362 32 H C -1.626 173.732 175.328 0.050 0.000 1.233 32 H CA -1.035 55.046 56.048 0.055 0.000 1.124 32 H CB 2.136 31.942 29.762 0.074 0.000 1.850 32 H HN -0.157 nan 8.280 nan 0.000 0.549 33 L N 2.340 123.662 121.223 0.165 0.000 2.372 33 L HA 0.259 4.598 4.340 -0.001 0.000 0.273 33 L C -0.963 175.964 176.870 0.095 0.000 0.989 33 L CA -0.300 54.596 54.840 0.093 0.000 0.841 33 L CB 0.812 42.883 42.059 0.021 0.000 1.225 33 L HN 0.605 nan 8.230 nan 0.000 0.414 34 H N 5.305 124.391 119.070 0.027 0.000 2.541 34 H HA 0.640 5.195 4.556 -0.001 0.000 0.316 34 H C -1.691 173.634 175.328 -0.005 0.000 1.043 34 H CA -0.381 55.672 56.048 0.009 0.000 1.232 34 H CB 1.544 31.310 29.762 0.007 0.000 1.406 34 H HN 0.449 nan 8.280 nan 0.000 0.469 35 V N 5.586 125.348 119.914 -0.253 0.000 2.462 35 V HA 0.249 4.368 4.120 -0.001 0.000 0.288 35 V C 0.866 176.849 176.094 -0.185 0.000 1.020 35 V CA -0.117 62.116 62.300 -0.112 0.000 0.857 35 V CB 0.912 32.685 31.823 -0.083 0.000 1.013 35 V HN 0.913 nan 8.190 nan 0.000 0.431 36 A N 3.483 126.269 122.820 -0.057 0.000 2.021 36 A HA 0.431 4.750 4.320 -0.001 0.000 0.216 36 A C 1.411 178.982 177.584 -0.023 0.000 1.163 36 A CA 0.988 53.007 52.037 -0.029 0.000 0.676 36 A CB -0.180 18.876 19.000 0.094 0.000 0.818 36 A HN 0.948 nan 8.150 nan 0.000 0.453 37 G N -0.211 108.581 108.800 -0.014 0.000 2.599 37 G HA2 0.402 4.361 3.960 -0.001 0.000 0.264 37 G HA3 0.402 4.361 3.960 -0.001 0.000 0.264 37 G C -0.154 174.730 174.900 -0.028 0.000 1.200 37 G CA 0.429 45.521 45.100 -0.014 0.000 0.896 37 G HN 0.365 nan 8.290 nan 0.000 0.536 38 D N -2.125 118.262 120.400 -0.022 0.000 2.672 38 D HA 0.058 4.697 4.640 -0.001 0.000 0.287 38 D C 0.848 177.136 176.300 -0.020 0.000 1.559 38 D CA -0.005 53.980 54.000 -0.025 0.000 0.796 38 D CB -0.544 40.243 40.800 -0.021 0.000 1.181 38 D HN 0.446 nan 8.370 nan 0.000 0.458 39 S N -0.210 115.477 115.700 -0.021 0.000 2.600 39 S HA 0.320 4.789 4.470 -0.001 0.000 0.265 39 S C -1.460 173.121 174.600 -0.032 0.000 1.325 39 S CA -0.645 57.544 58.200 -0.019 0.000 1.002 39 S CB 1.443 64.633 63.200 -0.016 0.000 0.921 39 S HN -0.211 nan 8.310 nan 0.000 0.554 40 P HA -0.077 nan 4.420 nan 0.000 0.216 40 P C 1.441 178.683 177.300 -0.098 0.000 1.153 40 P CA 1.515 64.588 63.100 -0.045 0.000 0.858 40 P CB -0.286 31.402 31.700 -0.019 0.000 0.789 41 T N -0.547 113.951 114.554 -0.094 0.000 2.777 41 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 41 T C 1.717 176.336 174.700 -0.136 0.000 1.040 41 T CA 0.897 62.913 62.100 -0.139 0.000 1.141 41 T CB -0.661 68.149 68.868 -0.097 0.000 0.868 41 T HN -0.034 nan 8.240 nan 0.000 0.444 42 I N 2.254 122.770 120.570 -0.089 0.000 2.226 42 I HA -0.127 4.043 4.170 -0.001 0.000 0.245 42 I C 2.135 178.199 176.117 -0.089 0.000 1.100 42 I CA 1.212 62.465 61.300 -0.079 0.000 1.374 42 I CB -1.189 36.781 38.000 -0.050 0.000 1.057 42 I HN 0.226 nan 8.210 nan 0.000 0.413 43 N N 1.406 120.057 118.700 -0.082 0.000 2.149 43 N HA -0.129 4.610 4.740 -0.001 0.000 0.188 43 N C 1.911 177.367 175.510 -0.091 0.000 1.019 43 N CA 1.627 54.634 53.050 -0.071 0.000 0.857 43 N CB -0.264 38.193 38.487 -0.050 0.000 0.997 43 N HN 0.375 nan 8.380 nan 0.000 0.426 44 A N 0.670 123.396 122.820 -0.156 0.000 1.930 44 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 44 A C 2.339 179.835 177.584 -0.147 0.000 1.175 44 A CA 1.660 53.570 52.037 -0.211 0.000 0.627 44 A CB -0.712 17.918 19.000 -0.617 0.000 0.815 44 A HN 0.300 nan 8.150 nan 0.000 0.443 45 A N 0.036 122.757 122.820 -0.166 0.000 1.877 45 A HA 0.169 4.488 4.320 -0.001 0.000 0.216 45 A C 2.512 180.000 177.584 -0.160 0.000 1.186 45 A CA 2.050 53.977 52.037 -0.183 0.000 0.620 45 A CB -1.052 17.853 19.000 -0.158 0.000 0.822 45 A HN 1.028 nan 8.150 nan 0.000 0.443 46 A N -0.101 122.650 122.820 -0.114 0.000 1.902 46 A HA 0.130 4.449 4.320 -0.001 0.000 0.217 46 A C 2.508 180.040 177.584 -0.086 0.000 1.181 46 A CA 2.199 54.180 52.037 -0.094 0.000 0.623 46 A CB -1.038 17.919 19.000 -0.072 0.000 0.818 46 A HN 1.081 nan 8.150 nan 0.000 0.443 47 A N -0.513 122.269 122.820 -0.063 0.000 1.902 47 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 47 A C 1.979 179.534 177.584 -0.047 0.000 1.181 47 A CA 2.144 54.164 52.037 -0.028 0.000 0.623 47 A CB -0.467 18.548 19.000 0.025 0.000 0.818 47 A HN 0.529 nan 8.150 nan 0.000 0.443 48 E N 0.034 120.184 120.200 -0.083 0.000 2.072 48 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 48 E C 1.854 178.301 176.600 -0.256 0.000 0.985 48 E CA 1.119 57.432 56.400 -0.145 0.000 0.801 48 E CB -0.339 29.179 29.700 -0.303 0.000 0.750 48 E HN 0.596 nan 8.360 nan 0.000 0.452 49 L N 0.188 121.266 121.223 -0.241 0.000 2.093 49 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 49 L C 2.735 179.482 176.870 -0.205 0.000 1.085 49 L CA 1.415 56.112 54.840 -0.238 0.000 0.755 49 L CB -0.383 41.569 42.059 -0.177 0.000 0.904 49 L HN 0.265 nan 8.230 nan 0.000 0.435 50 Q N 0.633 120.346 119.800 -0.145 0.000 2.020 50 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 50 Q C 2.398 178.319 176.000 -0.130 0.000 0.982 50 Q CA 2.034 57.772 55.803 -0.108 0.000 0.838 50 Q CB -0.012 28.686 28.738 -0.065 0.000 0.899 50 Q HN 0.486 nan 8.270 nan 0.000 0.423 51 R N -0.941 119.478 120.500 -0.136 0.000 2.092 51 R HA -0.023 4.317 4.340 -0.001 0.000 0.231 51 R C 2.160 178.276 176.300 -0.307 0.000 1.119 51 R CA 1.411 57.439 56.100 -0.120 0.000 0.970 51 R CB -0.842 29.457 30.300 -0.001 0.000 0.864 51 R HN 0.271 nan 8.270 nan 0.000 0.440 52 G N 2.077 110.489 108.800 -0.646 0.000 2.414 52 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.215 52 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.215 52 G C 1.610 176.186 174.900 -0.539 0.000 1.188 52 G CA 0.660 45.030 45.100 -1.218 0.000 0.783 52 G HN 0.168 nan 8.290 nan 0.000 0.537 53 L N 0.828 121.842 121.223 -0.348 0.000 2.083 53 L HA -0.074 4.265 4.340 -0.001 0.000 0.209 53 L C 3.194 179.978 176.870 -0.143 0.000 1.083 53 L CA 1.155 55.869 54.840 -0.210 0.000 0.752 53 L CB -0.393 41.570 42.059 -0.161 0.000 0.899 53 L HN 0.164 nan 8.230 nan 0.000 0.433 54 S N 0.064 115.687 115.700 -0.129 0.000 2.368 54 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 54 S C 2.003 176.575 174.600 -0.047 0.000 1.030 54 S CA 1.278 59.434 58.200 -0.073 0.000 0.999 54 S CB -0.544 62.623 63.200 -0.055 0.000 0.844 54 S HN 0.616 nan 8.310 nan 0.000 0.459 55 G N 1.506 110.279 108.800 -0.045 0.000 2.404 55 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.214 55 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.214 55 G C 1.335 176.248 174.900 0.021 0.000 1.189 55 G CA 0.409 45.523 45.100 0.023 0.000 0.789 55 G HN 0.422 nan 8.290 nan 0.000 0.533 56 L N -0.450 120.770 121.223 -0.005 0.000 2.083 56 L HA 0.022 4.361 4.340 -0.001 0.000 0.209 56 L C 2.303 179.166 176.870 -0.012 0.000 1.083 56 L CA 0.425 55.262 54.840 -0.006 0.000 0.752 56 L CB -0.187 41.836 42.059 -0.060 0.000 0.899 56 L HN 0.123 nan 8.230 nan 0.000 0.433 57 L N -0.879 120.326 121.223 -0.031 0.000 2.607 57 L HA 0.107 4.446 4.340 -0.001 0.000 0.228 57 L C 0.695 177.563 176.870 -0.004 0.000 1.123 57 L CA 0.213 55.048 54.840 -0.008 0.000 0.890 57 L CB -0.818 41.225 42.059 -0.027 0.000 1.103 57 L HN 0.265 nan 8.230 nan 0.000 0.468 58 N N 1.279 119.975 118.700 -0.006 0.000 2.725 58 N HA -0.250 4.490 4.740 -0.001 0.000 0.251 58 N C -0.523 174.980 175.510 -0.012 0.000 1.031 58 N CA 1.065 54.113 53.050 -0.004 0.000 0.720 58 N CB -0.601 37.888 38.487 0.003 0.000 0.930 58 N HN 0.618 nan 8.380 nan 0.000 0.543 59 K N -2.330 118.057 120.400 -0.022 0.000 2.587 59 K HA 0.489 4.808 4.320 -0.001 0.000 0.276 59 K C -3.376 173.205 176.600 -0.033 0.000 0.956 59 K CA -1.697 54.574 56.287 -0.027 0.000 0.857 59 K CB 1.614 34.094 32.500 -0.034 0.000 1.431 59 K HN -0.141 nan 8.250 nan 0.000 0.420 60 P HA 0.196 nan 4.420 nan 0.000 0.275 60 P C -0.512 176.769 177.300 -0.033 0.000 1.276 60 P CA -0.130 62.955 63.100 -0.025 0.000 0.782 60 P CB 0.194 31.886 31.700 -0.014 0.000 0.851 61 I N 4.831 125.377 120.570 -0.039 0.000 2.389 61 I HA 0.300 4.469 4.170 -0.001 0.000 0.288 61 I C 0.074 176.174 176.117 -0.028 0.000 0.999 61 I CA -0.925 60.351 61.300 -0.040 0.000 1.129 61 I CB 2.020 39.984 38.000 -0.059 0.000 1.288 61 I HN 0.038 nan 8.210 nan 0.000 0.444 62 V N 5.209 125.119 119.914 -0.007 0.000 2.495 62 V HA 0.556 4.676 4.120 -0.001 0.000 0.298 62 V C 0.579 176.670 176.094 -0.005 0.000 1.031 62 V CA -0.873 61.423 62.300 -0.007 0.000 0.871 62 V CB 1.886 33.710 31.823 0.003 0.000 0.988 62 V HN 0.858 nan 8.190 nan 0.000 0.432 63 A N 6.363 129.167 122.820 -0.025 0.000 2.488 63 A HA 0.633 4.952 4.320 -0.001 0.000 0.249 63 A C 0.280 177.833 177.584 -0.052 0.000 1.083 63 A CA 0.098 52.111 52.037 -0.039 0.000 0.768 63 A CB 0.099 19.067 19.000 -0.054 0.000 1.017 63 A HN 0.844 nan 8.150 nan 0.000 0.496 64 R N 1.076 121.527 120.500 -0.082 0.000 2.740 64 R HA 0.381 4.720 4.340 -0.001 0.000 0.273 64 R C -1.784 174.361 176.300 -0.259 0.000 0.998 64 R CA -0.861 55.171 56.100 -0.114 0.000 0.900 64 R CB 1.967 32.233 30.300 -0.056 0.000 1.223 64 R HN 0.734 nan 8.270 nan 0.000 0.466 65 D N 2.502 122.764 120.400 -0.230 0.000 2.477 65 D HA 0.157 4.797 4.640 -0.001 0.000 0.239 65 D C -0.850 175.356 176.300 -0.157 0.000 1.102 65 D CA -0.220 53.596 54.000 -0.307 0.000 0.901 65 D CB 0.488 41.183 40.800 -0.174 0.000 1.026 65 D HN 0.548 nan 8.370 nan 0.000 0.515 66 E N 1.022 121.152 120.200 -0.116 0.000 2.454 66 E HA 0.316 4.665 4.350 -0.001 0.000 0.279 66 E C -0.764 175.910 176.600 0.123 0.000 1.029 66 E CA -1.261 55.145 56.400 0.011 0.000 0.831 66 E CB 1.021 30.715 29.700 -0.010 0.000 1.405 66 E HN 0.011 nan 8.360 nan 0.000 0.463 67 K N 1.226 121.664 120.400 0.064 0.000 2.511 67 K HA -0.001 4.318 4.320 -0.001 0.000 0.280 67 K C -0.168 176.455 176.600 0.038 0.000 1.008 67 K CA -0.382 55.933 56.287 0.046 0.000 1.050 67 K CB 0.272 32.775 32.500 0.006 0.000 0.889 67 K HN 0.500 nan 8.250 nan 0.000 0.484 68 L N 4.878 126.097 121.223 -0.007 0.000 2.601 68 L HA -0.023 4.316 4.340 -0.001 0.000 0.277 68 L C -0.449 176.378 176.870 -0.071 0.000 1.219 68 L CA 1.200 55.998 54.840 -0.069 0.000 0.915 68 L CB 0.178 42.135 42.059 -0.169 0.000 1.160 68 L HN 0.565 nan 8.230 nan 0.000 0.494 69 K N 3.366 123.709 120.400 -0.095 0.000 2.118 69 K HA 0.265 4.584 4.320 -0.001 0.000 0.254 69 K C -0.761 175.829 176.600 -0.018 0.000 0.961 69 K CA -1.043 55.163 56.287 -0.135 0.000 0.876 69 K CB 1.047 33.260 32.500 -0.478 0.000 1.077 69 K HN 0.574 nan 8.250 nan 0.000 0.440 70 D N 0.702 121.124 120.400 0.037 0.000 2.443 70 D HA -0.038 4.601 4.640 -0.001 0.000 0.239 70 D C -0.771 175.665 176.300 0.227 0.000 1.136 70 D CA 0.821 54.849 54.000 0.047 0.000 0.879 70 D CB 0.119 40.976 40.800 0.094 0.000 1.195 70 D HN 0.425 nan 8.370 nan 0.000 0.443 71 Y N 0.280 120.689 120.300 0.182 0.000 3.128 71 Y HA -0.233 4.316 4.550 -0.001 0.000 0.187 71 Y C -0.030 175.972 175.900 0.171 0.000 1.597 71 Y CA 0.345 58.533 58.100 0.147 0.000 1.183 71 Y CB -1.869 36.639 38.460 0.080 0.000 1.454 71 Y HN 0.107 nan 8.280 nan 0.000 0.460 72 S N 0.403 116.236 115.700 0.221 0.000 2.578 72 S HA 0.755 5.224 4.470 -0.001 0.000 0.301 72 S C -0.530 174.146 174.600 0.125 0.000 1.091 72 S CA -0.919 57.397 58.200 0.194 0.000 1.032 72 S CB 2.121 65.414 63.200 0.154 0.000 1.064 72 S HN 0.303 nan 8.310 nan 0.000 0.508 73 L N 3.338 124.627 121.223 0.110 0.000 2.275 73 L HA 0.624 4.963 4.340 -0.001 0.000 0.288 73 L C -1.223 175.695 176.870 0.080 0.000 1.046 73 L CA -0.096 54.785 54.840 0.068 0.000 0.805 73 L CB 0.798 42.877 42.059 0.034 0.000 1.193 73 L HN 0.416 nan 8.230 nan 0.000 0.426 74 V N 6.931 126.879 119.914 0.057 0.000 2.444 74 V HA 0.500 4.619 4.120 -0.001 0.000 0.294 74 V C -0.065 176.060 176.094 0.053 0.000 1.022 74 V CA -0.554 61.788 62.300 0.070 0.000 0.850 74 V CB 1.460 33.277 31.823 -0.010 0.000 0.992 74 V HN 0.755 nan 8.190 nan 0.000 0.426 75 I N 2.044 122.657 120.570 0.071 0.000 2.569 75 I HA 1.087 5.257 4.170 -0.001 0.000 0.296 75 I C 0.098 176.243 176.117 0.046 0.000 1.028 75 I CA -0.263 61.059 61.300 0.036 0.000 1.082 75 I CB 2.233 40.232 38.000 -0.001 0.000 1.264 75 I HN 0.796 nan 8.210 nan 0.000 0.429 76 G N 2.992 111.813 108.800 0.035 0.000 2.341 76 G HA2 0.388 4.347 3.960 -0.001 0.000 0.293 76 G HA3 0.388 4.347 3.960 -0.001 0.000 0.293 76 G C -0.969 173.954 174.900 0.037 0.000 1.298 76 G CA -0.177 44.944 45.100 0.034 0.000 0.868 76 G HN 0.985 nan 8.290 nan 0.000 0.540 77 T N -1.852 112.722 114.554 0.033 0.000 2.950 77 T HA 0.715 5.064 4.350 -0.001 0.000 0.288 77 T C -1.958 172.760 174.700 0.029 0.000 1.035 77 T CA -1.516 60.605 62.100 0.036 0.000 1.028 77 T CB 2.546 71.433 68.868 0.033 0.000 1.109 77 T HN 0.172 nan 8.240 nan 0.000 0.514 78 P HA -0.034 nan 4.420 nan 0.000 0.219 78 P C 0.866 178.177 177.300 0.019 0.000 1.146 78 P CA 0.874 63.986 63.100 0.020 0.000 0.808 78 P CB 0.054 31.765 31.700 0.018 0.000 0.779 79 D N -1.030 119.382 120.400 0.020 0.000 2.234 79 D HA -0.075 4.564 4.640 -0.001 0.000 0.205 79 D C 1.219 177.530 176.300 0.018 0.000 0.962 79 D CA 1.106 55.116 54.000 0.018 0.000 0.855 79 D CB -0.325 40.486 40.800 0.018 0.000 0.951 79 D HN 0.376 nan 8.370 nan 0.000 0.500 80 N N -1.288 117.424 118.700 0.021 0.000 2.171 80 N HA -0.006 4.733 4.740 -0.001 0.000 0.212 80 N C -0.408 175.121 175.510 0.031 0.000 1.184 80 N CA -0.202 52.861 53.050 0.021 0.000 0.888 80 N CB 0.757 39.253 38.487 0.015 0.000 1.038 80 N HN -0.189 nan 8.380 nan 0.000 0.517 81 S N 0.470 116.192 115.700 0.035 0.000 2.746 81 S HA 0.447 4.916 4.470 -0.001 0.000 0.273 81 S C -2.244 172.374 174.600 0.030 0.000 1.172 81 S CA -1.287 56.944 58.200 0.051 0.000 1.116 81 S CB 1.168 64.406 63.200 0.062 0.000 1.057 81 S HN -0.164 nan 8.310 nan 0.000 0.483 82 P HA -0.092 nan 4.420 nan 0.000 0.217 82 P C 1.379 178.672 177.300 -0.012 0.000 1.148 82 P CA 0.932 64.037 63.100 0.008 0.000 0.828 82 P CB 0.109 31.816 31.700 0.011 0.000 0.783 83 L N -1.474 119.731 121.223 -0.030 0.000 2.046 83 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 83 L C 2.260 179.103 176.870 -0.046 0.000 1.077 83 L CA 1.203 56.001 54.840 -0.071 0.000 0.747 83 L CB -0.813 41.149 42.059 -0.161 0.000 0.896 83 L HN -0.038 nan 8.230 nan 0.000 0.432 84 I N 0.283 120.841 120.570 -0.021 0.000 2.252 84 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 84 I C 2.859 178.974 176.117 -0.003 0.000 1.102 84 I CA 1.513 62.810 61.300 -0.006 0.000 1.385 84 I CB -1.465 36.543 38.000 0.014 0.000 1.064 84 I HN 0.162 nan 8.210 nan 0.000 0.414 85 A N 1.053 123.873 122.820 -0.000 0.000 1.940 85 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 85 A C 2.506 180.086 177.584 -0.007 0.000 1.176 85 A CA 2.284 54.321 52.037 0.000 0.000 0.631 85 A CB -0.878 18.124 19.000 0.003 0.000 0.814 85 A HN 0.561 nan 8.150 nan 0.000 0.446 86 S N -0.239 115.452 115.700 -0.015 0.000 2.442 86 S HA -0.036 4.433 4.470 -0.001 0.000 0.236 86 S C 1.612 176.200 174.600 -0.020 0.000 1.007 86 S CA 1.294 59.482 58.200 -0.020 0.000 0.965 86 S CB -0.620 62.561 63.200 -0.031 0.000 0.773 86 S HN 0.460 nan 8.310 nan 0.000 0.504 87 L N 0.908 122.120 121.223 -0.018 0.000 2.552 87 L HA 0.157 4.497 4.340 -0.001 0.000 0.227 87 L C 0.107 176.971 176.870 -0.009 0.000 1.146 87 L CA 0.096 54.926 54.840 -0.016 0.000 0.858 87 L CB -1.116 40.935 42.059 -0.014 0.000 0.969 87 L HN 0.305 nan 8.230 nan 0.000 0.451 88 N N -0.171 118.525 118.700 -0.006 0.000 2.688 88 N HA -0.227 4.512 4.740 -0.001 0.000 0.258 88 N C 0.769 176.279 175.510 0.000 0.000 1.016 88 N CA 0.048 53.097 53.050 -0.003 0.000 0.747 88 N CB -1.087 37.397 38.487 -0.005 0.000 0.895 88 N HN 0.284 nan 8.380 nan 0.000 0.543 89 L N -0.393 120.833 121.223 0.005 0.000 2.201 89 L HA -0.044 4.296 4.340 -0.001 0.000 0.212 89 L C 2.179 179.054 176.870 0.007 0.000 1.105 89 L CA 1.056 55.901 54.840 0.008 0.000 0.775 89 L CB -0.783 41.285 42.059 0.015 0.000 0.913 89 L HN 0.716 nan 8.230 nan 0.000 0.440 90 G N 0.548 109.352 108.800 0.007 0.000 2.651 90 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.315 90 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.315 90 G C 0.787 175.690 174.900 0.005 0.000 1.258 90 G CA 0.687 45.790 45.100 0.005 0.000 1.002 90 G HN 0.386 nan 8.290 nan 0.000 0.551 91 E N 0.701 120.902 120.200 0.003 0.000 2.219 91 E HA -0.157 4.192 4.350 -0.001 0.000 0.198 91 E C 2.750 179.351 176.600 0.002 0.000 0.998 91 E CA 1.140 57.541 56.400 0.001 0.000 0.818 91 E CB -0.126 29.573 29.700 -0.001 0.000 0.741 91 E HN 0.516 nan 8.360 nan 0.000 0.477 92 R N 0.249 120.752 120.500 0.004 0.000 2.081 92 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 92 R C 2.379 178.685 176.300 0.010 0.000 1.131 92 R CA 0.939 57.043 56.100 0.006 0.000 0.960 92 R CB -0.208 30.098 30.300 0.010 0.000 0.856 92 R HN 0.211 nan 8.270 nan 0.000 0.436 93 L N 0.476 121.708 121.223 0.015 0.000 2.209 93 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 93 L C 2.371 179.251 176.870 0.016 0.000 1.094 93 L CA 0.870 55.723 54.840 0.022 0.000 0.790 93 L CB -0.226 41.850 42.059 0.029 0.000 0.932 93 L HN 0.239 nan 8.230 nan 0.000 0.447 94 Q N -0.003 119.802 119.800 0.009 0.000 2.135 94 Q HA -0.214 4.126 4.340 -0.001 0.000 0.204 94 Q C 2.283 178.281 176.000 -0.004 0.000 0.981 94 Q CA 1.696 57.501 55.803 0.004 0.000 0.856 94 Q CB -0.254 28.484 28.738 0.000 0.000 0.902 94 Q HN 0.537 nan 8.270 nan 0.000 0.425 95 A N 0.510 123.325 122.820 -0.008 0.000 2.172 95 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 95 A C 1.842 179.409 177.584 -0.028 0.000 1.154 95 A CA 0.756 52.781 52.037 -0.020 0.000 0.701 95 A CB -0.361 18.625 19.000 -0.022 0.000 0.789 95 A HN 0.281 nan 8.150 nan 0.000 0.465 96 L N -1.517 119.699 121.223 -0.013 0.000 2.418 96 L HA 0.204 4.543 4.340 -0.001 0.000 0.218 96 L C 1.761 178.630 176.870 -0.002 0.000 1.125 96 L CA 0.290 55.123 54.840 -0.011 0.000 0.835 96 L CB -1.065 41.008 42.059 0.024 0.000 0.953 96 L HN 0.563 nan 8.230 nan 0.000 0.454 97 G N 0.709 109.509 108.800 -0.000 0.000 2.578 97 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.275 97 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.275 97 G C 0.799 175.718 174.900 0.031 0.000 1.271 97 G CA 0.278 45.379 45.100 0.002 0.000 0.941 97 G HN 0.326 nan 8.290 nan 0.000 0.564 98 A N -1.088 121.750 122.820 0.030 0.000 2.119 98 A HA 0.384 4.703 4.320 -0.001 0.000 0.216 98 A C 1.847 179.498 177.584 0.112 0.000 1.152 98 A CA 2.090 54.163 52.037 0.059 0.000 0.708 98 A CB -0.110 18.918 19.000 0.046 0.000 0.805 98 A HN 0.692 nan 8.150 nan 0.000 0.460 99 E N -1.122 119.160 120.200 0.137 0.000 2.606 99 E HA 0.177 4.526 4.350 -0.001 0.000 0.224 99 E C 0.911 177.770 176.600 0.431 0.000 0.930 99 E CA 0.021 56.600 56.400 0.298 0.000 1.125 99 E CB 0.736 30.612 29.700 0.293 0.000 1.123 99 E HN 0.455 nan 8.360 nan 0.000 0.522 100 G N 0.821 109.764 108.800 0.240 0.000 2.580 100 G HA2 0.393 4.352 3.960 -0.001 0.000 0.278 100 G HA3 0.393 4.352 3.960 -0.001 0.000 0.278 100 G C -0.687 174.394 174.900 0.302 0.000 1.212 100 G CA -0.163 45.063 45.100 0.211 0.000 0.939 100 G HN 0.134 nan 8.290 nan 0.000 0.513 101 Y N -2.255 118.191 120.300 0.243 0.000 2.670 101 Y HA 0.709 5.258 4.550 -0.001 0.000 0.334 101 Y C -1.466 174.515 175.900 0.134 0.000 1.185 101 Y CA -1.836 56.369 58.100 0.176 0.000 1.053 101 Y CB 1.657 40.236 38.460 0.198 0.000 1.298 101 Y HN 0.616 nan 8.280 nan 0.000 0.459 102 L N 2.697 124.101 121.223 0.301 0.000 2.362 102 L HA 0.724 5.063 4.340 -0.001 0.000 0.275 102 L C -1.890 175.111 176.870 0.217 0.000 0.998 102 L CA -0.890 54.063 54.840 0.188 0.000 0.820 102 L CB 1.699 43.817 42.059 0.099 0.000 1.270 102 L HN 0.749 nan 8.230 nan 0.000 0.415 103 L N 4.765 126.090 121.223 0.171 0.000 2.305 103 L HA 0.686 5.025 4.340 -0.001 0.000 0.284 103 L C -0.599 176.300 176.870 0.048 0.000 1.013 103 L CA -0.432 54.458 54.840 0.085 0.000 0.819 103 L CB 1.714 43.783 42.059 0.016 0.000 1.227 103 L HN 0.687 nan 8.230 nan 0.000 0.417 104 E N 2.695 122.919 120.200 0.040 0.000 2.321 104 E HA 0.161 4.510 4.350 -0.001 0.000 0.281 104 E C -1.501 175.120 176.600 0.035 0.000 0.910 104 E CA -0.639 55.782 56.400 0.035 0.000 0.770 104 E CB 2.235 31.954 29.700 0.033 0.000 1.225 104 E HN 0.556 nan 8.360 nan 0.000 0.417 105 Q N 2.958 122.783 119.800 0.041 0.000 2.288 105 Q HA 0.331 4.670 4.340 -0.001 0.000 0.258 105 Q C -0.865 175.155 176.000 0.035 0.000 0.957 105 Q CA 0.462 56.295 55.803 0.051 0.000 0.919 105 Q CB 1.329 30.110 28.738 0.071 0.000 1.185 105 Q HN 0.622 nan 8.270 nan 0.000 0.408 106 T N 2.516 117.083 114.554 0.020 0.000 2.630 106 T HA 0.563 4.912 4.350 -0.001 0.000 0.300 106 T C -1.686 172.984 174.700 -0.049 0.000 1.261 106 T CA -0.699 61.395 62.100 -0.010 0.000 1.060 106 T CB 1.059 69.921 68.868 -0.011 0.000 1.670 106 T HN 0.538 nan 8.240 nan 0.000 0.473 107 R N 0.776 121.228 120.500 -0.079 0.000 2.686 107 R HA 0.676 5.015 4.340 -0.001 0.000 0.283 107 R C -1.215 175.020 176.300 -0.108 0.000 0.978 107 R CA -0.604 55.415 56.100 -0.135 0.000 0.897 107 R CB 1.281 31.476 30.300 -0.175 0.000 1.192 107 R HN 0.614 nan 8.270 nan 0.000 0.457 108 I N 2.383 122.880 120.570 -0.121 0.000 2.468 108 I HA 0.124 4.293 4.170 -0.001 0.000 0.285 108 I C -0.370 175.683 176.117 -0.108 0.000 1.039 108 I CA -0.907 60.332 61.300 -0.102 0.000 1.074 108 I CB 1.676 39.615 38.000 -0.103 0.000 1.228 108 I HN 0.655 nan 8.210 nan 0.000 0.436 109 N N 5.784 124.430 118.700 -0.090 0.000 2.698 109 N HA -0.317 4.423 4.740 -0.001 0.000 0.258 109 N C 0.661 176.112 175.510 -0.098 0.000 0.978 109 N CA 1.216 54.217 53.050 -0.081 0.000 0.777 109 N CB -0.843 37.604 38.487 -0.066 0.000 0.907 109 N HN 0.908 nan 8.380 nan 0.000 0.543 110 K N -2.955 117.369 120.400 -0.127 0.000 3.587 110 K HA -0.338 3.982 4.320 -0.001 0.000 0.294 110 K C -0.656 175.805 176.600 -0.231 0.000 1.279 110 K CA 1.372 57.561 56.287 -0.162 0.000 1.004 110 K CB -0.748 31.690 32.500 -0.104 0.000 1.276 110 K HN 0.474 nan 8.250 nan 0.000 0.459 111 R N 1.384 121.767 120.500 -0.196 0.000 2.441 111 R HA 0.294 4.633 4.340 -0.001 0.000 0.284 111 R C -0.521 175.602 176.300 -0.295 0.000 1.070 111 R CA -0.154 55.825 56.100 -0.202 0.000 1.047 111 R CB 0.370 30.595 30.300 -0.125 0.000 1.016 111 R HN 0.209 nan 8.270 nan 0.000 0.477 112 H N 0.711 119.570 119.070 -0.352 0.000 2.767 112 H HA 0.338 4.894 4.556 -0.001 0.000 0.316 112 H C 0.041 175.235 175.328 -0.224 0.000 1.059 112 H CA -0.038 55.789 56.048 -0.368 0.000 1.461 112 H CB 0.589 29.870 29.762 -0.801 0.000 1.475 112 H HN 0.368 nan 8.280 nan 0.000 0.531 113 V N 0.804 120.712 119.914 -0.009 0.000 3.159 113 V HA 0.691 4.810 4.120 -0.001 0.000 0.308 113 V C -0.876 175.247 176.094 0.048 0.000 1.190 113 V CA -0.988 61.324 62.300 0.021 0.000 1.037 113 V CB 2.180 33.991 31.823 -0.020 0.000 1.060 113 V HN 0.444 nan 8.190 nan 0.000 0.437 114 V N 3.372 123.320 119.914 0.057 0.000 2.540 114 V HA 0.589 4.708 4.120 -0.001 0.000 0.302 114 V C -0.091 176.022 176.094 0.031 0.000 1.035 114 V CA -0.368 61.961 62.300 0.049 0.000 0.873 114 V CB 1.502 33.361 31.823 0.059 0.000 0.992 114 V HN 1.003 nan 8.190 nan 0.000 0.428 115 I N 2.512 123.097 120.570 0.025 0.000 2.460 115 I HA 0.802 4.971 4.170 -0.001 0.000 0.298 115 I C -0.819 175.315 176.117 0.029 0.000 0.989 115 I CA -0.775 60.539 61.300 0.023 0.000 1.173 115 I CB 2.072 40.084 38.000 0.020 0.000 1.338 115 I HN 0.264 nan 8.210 nan 0.000 0.456 116 V N 5.540 125.470 119.914 0.026 0.000 2.304 116 V HA 0.728 4.847 4.120 -0.001 0.000 0.278 116 V C 0.370 176.498 176.094 0.058 0.000 1.018 116 V CA -0.258 62.061 62.300 0.032 0.000 0.814 116 V CB 0.703 32.514 31.823 -0.019 0.000 1.021 116 V HN 0.944 nan 8.190 nan 0.000 0.440 117 A N 4.086 126.965 122.820 0.099 0.000 2.374 117 A HA 1.054 5.373 4.320 -0.001 0.000 0.317 117 A C -0.193 177.476 177.584 0.142 0.000 1.094 117 A CA -0.042 52.052 52.037 0.095 0.000 0.765 117 A CB 1.932 20.976 19.000 0.072 0.000 1.268 117 A HN 1.410 nan 8.150 nan 0.000 0.438 118 A N 0.820 123.710 122.820 0.117 0.000 2.581 118 A HA 0.642 4.961 4.320 -0.001 0.000 0.290 118 A C 0.027 177.665 177.584 0.090 0.000 1.119 118 A CA -0.582 51.538 52.037 0.138 0.000 0.670 118 A CB 0.477 19.584 19.000 0.178 0.000 1.280 118 A HN 0.629 nan 8.150 nan 0.000 0.425 119 N N 0.139 118.891 118.700 0.087 0.000 2.333 119 N HA 0.011 4.751 4.740 -0.001 0.000 0.178 119 N C 0.724 176.267 175.510 0.056 0.000 1.018 119 N CA 1.483 54.569 53.050 0.061 0.000 0.882 119 N CB 0.110 38.629 38.487 0.052 0.000 0.984 119 N HN 0.801 nan 8.380 nan 0.000 0.434 120 S N -0.345 115.396 115.700 0.067 0.000 2.607 120 S HA 0.373 4.842 4.470 -0.001 0.000 0.303 120 S C 0.296 174.915 174.600 0.033 0.000 1.086 120 S CA -0.784 57.446 58.200 0.050 0.000 0.995 120 S CB 2.281 65.517 63.200 0.059 0.000 1.084 120 S HN -0.180 nan 8.310 nan 0.000 0.507 121 D N 1.015 121.420 120.400 0.008 0.000 2.144 121 D HA -0.094 4.545 4.640 -0.001 0.000 0.199 121 D C 1.918 178.178 176.300 -0.066 0.000 0.984 121 D CA 0.888 54.876 54.000 -0.021 0.000 0.834 121 D CB -0.398 40.385 40.800 -0.028 0.000 0.955 121 D HN 0.341 nan 8.370 nan 0.000 0.465 122 V N 0.817 120.679 119.914 -0.086 0.000 2.515 122 V HA -0.105 4.014 4.120 -0.001 0.000 0.250 122 V C 2.203 178.096 176.094 -0.335 0.000 1.058 122 V CA 2.193 64.336 62.300 -0.261 0.000 1.064 122 V CB -0.565 31.118 31.823 -0.234 0.000 0.675 122 V HN 0.256 nan 8.190 nan 0.000 0.461 123 G N -0.653 108.139 108.800 -0.013 0.000 2.418 123 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 123 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 123 G C 1.652 176.648 174.900 0.160 0.000 1.158 123 G CA 1.233 46.467 45.100 0.223 0.000 0.771 123 G HN 0.435 nan 8.290 nan 0.000 0.545 124 V N 0.678 120.620 119.914 0.045 0.000 2.343 124 V HA -0.140 3.979 4.120 -0.001 0.000 0.247 124 V C 2.675 178.728 176.094 -0.068 0.000 1.051 124 V CA 1.622 63.921 62.300 -0.002 0.000 1.036 124 V CB -0.460 31.355 31.823 -0.013 0.000 0.654 124 V HN 0.362 nan 8.190 nan 0.000 0.451 125 L N -0.534 120.625 121.223 -0.106 0.000 1.989 125 L HA -0.183 4.156 4.340 -0.001 0.000 0.211 125 L C 2.401 179.319 176.870 0.080 0.000 1.071 125 L CA 2.207 56.995 54.840 -0.087 0.000 0.749 125 L CB -0.814 41.173 42.059 -0.120 0.000 0.890 125 L HN 0.336 nan 8.230 nan 0.000 0.431 126 Y N 0.128 120.502 120.300 0.123 0.000 2.181 126 Y HA -0.061 4.488 4.550 -0.002 0.000 0.288 126 Y C 2.594 178.269 175.900 -0.375 0.000 1.146 126 Y CA 0.902 59.021 58.100 0.032 0.000 1.164 126 Y CB -1.652 36.915 38.460 0.179 0.000 0.982 126 Y HN 0.254 nan 8.280 nan 0.000 0.515 127 G N -1.128 107.353 108.800 -0.531 0.000 2.422 127 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 127 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 127 G C 1.913 176.577 174.900 -0.392 0.000 1.146 127 G CA 1.223 45.706 45.100 -1.030 0.000 0.769 127 G HN 0.397 nan 8.290 nan 0.000 0.547 128 S N 0.539 116.108 115.700 -0.218 0.000 2.368 128 S HA -0.026 4.443 4.470 -0.001 0.000 0.224 128 S C 1.967 176.473 174.600 -0.156 0.000 1.029 128 S CA 0.845 58.926 58.200 -0.197 0.000 0.988 128 S CB -0.362 62.689 63.200 -0.249 0.000 0.838 128 S HN 0.316 nan 8.310 nan 0.000 0.462 129 F N 1.067 120.986 119.950 -0.051 0.000 2.171 129 F HA -0.070 4.456 4.527 -0.002 0.000 0.300 129 F C 2.304 178.108 175.800 0.007 0.000 1.090 129 F CA 1.365 59.370 58.000 0.008 0.000 1.293 129 F CB -0.705 38.319 39.000 0.039 0.000 1.013 129 F HN 0.379 nan 8.300 nan 0.000 0.486 130 H N -0.505 118.540 119.070 -0.041 0.000 2.353 130 H HA -0.157 4.398 4.556 -0.001 0.000 0.300 130 H C 2.443 177.743 175.328 -0.047 0.000 1.090 130 H CA 0.919 56.916 56.048 -0.085 0.000 1.327 130 H CB -0.082 29.584 29.762 -0.160 0.000 1.383 130 H HN 0.142 nan 8.280 nan 0.000 0.508 131 L N 1.120 122.330 121.223 -0.021 0.000 2.012 131 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 131 L C 2.209 179.063 176.870 -0.028 0.000 1.073 131 L CA 1.505 56.302 54.840 -0.073 0.000 0.748 131 L CB -0.899 41.100 42.059 -0.100 0.000 0.891 131 L HN 0.443 nan 8.230 nan 0.000 0.431 132 L N -0.351 120.871 121.223 -0.003 0.000 2.046 132 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 132 L C 2.838 179.767 176.870 0.097 0.000 1.077 132 L CA 1.515 56.365 54.840 0.016 0.000 0.747 132 L CB -0.572 41.523 42.059 0.059 0.000 0.896 132 L HN 0.320 nan 8.230 nan 0.000 0.432 133 R N 0.543 121.141 120.500 0.164 0.000 2.105 133 R HA -0.180 4.160 4.340 -0.001 0.000 0.239 133 R C 2.305 178.693 176.300 0.146 0.000 1.135 133 R CA 1.339 57.541 56.100 0.169 0.000 0.967 133 R CB -0.223 30.177 30.300 0.167 0.000 0.861 133 R HN 0.315 nan 8.270 nan 0.000 0.442 134 L N 0.327 121.629 121.223 0.132 0.000 2.046 134 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 134 L C 2.420 179.377 176.870 0.144 0.000 1.077 134 L CA 1.376 56.291 54.840 0.124 0.000 0.747 134 L CB -0.347 41.748 42.059 0.060 0.000 0.896 134 L HN 0.268 nan 8.230 nan 0.000 0.432 135 I N -0.779 119.777 120.570 -0.024 0.000 2.252 135 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 135 I C 2.562 178.655 176.117 -0.040 0.000 1.102 135 I CA 1.198 62.351 61.300 -0.245 0.000 1.385 135 I CB -0.347 37.334 38.000 -0.531 0.000 1.064 135 I HN 0.313 nan 8.210 nan 0.000 0.414 136 Q N 0.181 120.002 119.800 0.035 0.000 2.181 136 Q HA -0.187 4.152 4.340 -0.001 0.000 0.205 136 Q C 1.789 177.847 176.000 0.096 0.000 0.980 136 Q CA 2.030 57.878 55.803 0.074 0.000 0.862 136 Q CB -0.211 28.587 28.738 0.101 0.000 0.905 136 Q HN 0.623 nan 8.270 nan 0.000 0.429 137 T N -3.187 111.463 114.554 0.160 0.000 3.163 137 T HA 0.130 4.479 4.350 -0.001 0.000 0.252 137 T C 0.055 174.879 174.700 0.206 0.000 1.056 137 T CA -0.289 61.935 62.100 0.207 0.000 0.947 137 T CB 0.300 69.356 68.868 0.313 0.000 1.016 137 T HN 0.210 nan 8.240 nan 0.000 0.554 138 Q N 0.422 120.349 119.800 0.213 0.000 2.468 138 Q HA -0.179 4.160 4.340 -0.001 0.000 0.289 138 Q C -0.965 175.098 176.000 0.106 0.000 1.299 138 Q CA 0.409 56.334 55.803 0.204 0.000 0.838 138 Q CB -2.108 26.685 28.738 0.091 0.000 1.195 138 Q HN 0.772 nan 8.270 nan 0.000 0.456 139 H N -0.596 118.599 119.070 0.207 0.000 2.481 139 H HA 0.589 5.144 4.556 -0.001 0.000 0.339 139 H C 0.356 175.805 175.328 0.201 0.000 1.131 139 H CA 0.383 56.526 56.048 0.160 0.000 1.301 139 H CB 1.099 30.941 29.762 0.133 0.000 1.476 139 H HN 0.393 nan 8.280 nan 0.000 0.529 140 A N 2.496 125.435 122.820 0.198 0.000 2.388 140 A HA 0.154 4.473 4.320 -0.001 0.000 0.257 140 A C 0.363 178.052 177.584 0.175 0.000 1.095 140 A CA -0.318 51.793 52.037 0.123 0.000 0.791 140 A CB 0.278 19.303 19.000 0.042 0.000 1.029 140 A HN 0.610 nan 8.150 nan 0.000 0.489 141 L N 0.463 121.791 121.223 0.173 0.000 2.554 141 L HA 0.192 4.531 4.340 -0.001 0.000 0.225 141 L C 0.964 177.895 176.870 0.102 0.000 1.104 141 L CA 0.701 55.633 54.840 0.154 0.000 0.866 141 L CB -0.981 41.195 42.059 0.196 0.000 1.047 141 L HN 0.799 nan 8.230 nan 0.000 0.468 142 E N 1.207 121.452 120.200 0.076 0.000 2.417 142 E HA 0.006 4.355 4.350 -0.001 0.000 0.261 142 E C 0.548 177.185 176.600 0.061 0.000 1.000 142 E CA 0.344 56.781 56.400 0.063 0.000 0.919 142 E CB 0.136 29.858 29.700 0.037 0.000 0.955 142 E HN -0.026 nan 8.360 nan 0.000 0.455 143 K N 1.657 122.094 120.400 0.062 0.000 3.391 143 K HA -0.226 4.093 4.320 -0.001 0.000 0.307 143 K C -0.083 176.547 176.600 0.050 0.000 1.304 143 K CA 0.371 56.689 56.287 0.052 0.000 0.904 143 K CB -2.131 30.395 32.500 0.044 0.000 1.293 143 K HN 0.540 nan 8.250 nan 0.000 0.470 144 L N 1.358 122.614 121.223 0.056 0.000 2.540 144 L HA 0.153 4.492 4.340 -0.001 0.000 0.276 144 L C 0.186 177.078 176.870 0.038 0.000 1.212 144 L CA 1.075 55.944 54.840 0.048 0.000 0.893 144 L CB 0.728 42.815 42.059 0.047 0.000 1.138 144 L HN 0.212 nan 8.230 nan 0.000 0.491 145 S N 5.561 121.281 115.700 0.033 0.000 2.536 145 S HA 0.640 5.109 4.470 -0.001 0.000 0.246 145 S C -1.383 173.235 174.600 0.030 0.000 1.077 145 S CA -0.670 57.548 58.200 0.031 0.000 1.091 145 S CB -0.031 63.186 63.200 0.028 0.000 1.148 145 S HN 0.767 nan 8.310 nan 0.000 0.447 146 L N 1.760 123.003 121.223 0.033 0.000 2.465 146 L HA 1.020 5.359 4.340 -0.001 0.000 0.257 146 L C -0.714 176.182 176.870 0.044 0.000 0.988 146 L CA -0.492 54.371 54.840 0.038 0.000 0.827 146 L CB 1.797 43.882 42.059 0.044 0.000 1.397 146 L HN 0.330 nan 8.230 nan 0.000 0.410 147 S N 0.428 116.136 115.700 0.014 0.000 2.599 147 S HA 0.928 5.398 4.470 -0.001 0.000 0.287 147 S C -0.713 173.819 174.600 -0.113 0.000 1.105 147 S CA -0.773 57.392 58.200 -0.058 0.000 0.899 147 S CB 1.701 64.869 63.200 -0.052 0.000 1.100 147 S HN 0.958 nan 8.310 nan 0.000 0.482 148 S N -0.373 115.132 115.700 -0.326 0.000 2.537 148 S HA 0.785 5.255 4.470 -0.001 0.000 0.271 148 S C -1.739 172.748 174.600 -0.187 0.000 1.148 148 S CA -0.398 57.693 58.200 -0.182 0.000 0.868 148 S CB 1.326 64.523 63.200 -0.004 0.000 1.115 148 S HN 1.399 nan 8.310 nan 0.000 0.461 149 A N 4.080 126.841 122.820 -0.099 0.000 2.486 149 A HA 0.904 5.224 4.320 -0.001 0.000 0.300 149 A C -3.068 174.095 177.584 -0.701 0.000 1.048 149 A CA -1.646 50.236 52.037 -0.258 0.000 0.696 149 A CB 1.425 20.308 19.000 -0.195 0.000 1.278 149 A HN 0.550 nan 8.150 nan 0.000 0.405 150 P HA 0.247 nan 4.420 nan 0.000 0.271 150 P C -0.079 176.810 177.300 -0.685 0.000 1.218 150 P CA -0.110 62.079 63.100 -1.519 0.000 0.780 150 P CB 0.872 31.704 31.700 -1.446 0.000 0.901 151 R N 1.067 121.260 120.500 -0.511 0.000 2.280 151 R HA 0.272 4.611 4.340 -0.001 0.000 0.195 151 R C 0.456 176.663 176.300 -0.154 0.000 0.935 151 R CA 0.238 56.187 56.100 -0.252 0.000 1.033 151 R CB -0.008 30.191 30.300 -0.168 0.000 0.964 151 R HN 0.440 nan 8.270 nan 0.000 0.489 152 L N -0.183 120.923 121.223 -0.196 0.000 2.370 152 L HA 0.273 4.612 4.340 -0.001 0.000 0.266 152 L C 0.973 177.754 176.870 -0.149 0.000 1.002 152 L CA -0.563 54.202 54.840 -0.125 0.000 0.818 152 L CB 2.277 44.280 42.059 -0.093 0.000 1.325 152 L HN -0.095 nan 8.230 nan 0.000 0.418 153 Q N 0.525 120.257 119.800 -0.113 0.000 2.062 153 Q HA -0.018 4.322 4.340 -0.001 0.000 0.196 153 Q C -0.227 175.624 176.000 -0.248 0.000 0.967 153 Q CA 1.149 56.827 55.803 -0.209 0.000 0.832 153 Q CB 0.301 28.883 28.738 -0.259 0.000 0.899 153 Q HN 0.613 nan 8.270 nan 0.000 0.442 154 H N 0.207 119.329 119.070 0.088 0.000 2.623 154 H HA 0.362 4.917 4.556 -0.001 0.000 0.299 154 H C -1.001 174.330 175.328 0.004 0.000 1.052 154 H CA -0.384 55.729 56.048 0.108 0.000 1.231 154 H CB 0.838 30.697 29.762 0.162 0.000 1.389 154 H HN 0.014 nan 8.280 nan 0.000 0.469 155 R N 3.123 123.694 120.500 0.118 0.000 2.335 155 R HA 0.377 4.716 4.340 -0.001 0.000 0.302 155 R C -1.132 175.243 176.300 0.124 0.000 1.147 155 R CA -0.615 55.517 56.100 0.053 0.000 1.111 155 R CB 1.573 31.870 30.300 -0.004 0.000 1.122 155 R HN 0.322 nan 8.270 nan 0.000 0.557 156 V N 2.977 122.966 119.914 0.124 0.000 2.914 156 V HA 0.669 4.788 4.120 -0.001 0.000 0.314 156 V C -0.451 175.696 176.094 0.089 0.000 1.084 156 V CA -0.760 61.592 62.300 0.086 0.000 0.963 156 V CB 2.363 34.123 31.823 -0.106 0.000 1.025 156 V HN 0.403 nan 8.190 nan 0.000 0.432 157 V N 3.105 123.046 119.914 0.044 0.000 2.732 157 V HA 0.772 4.892 4.120 -0.001 0.000 0.310 157 V C -0.594 175.441 176.094 -0.098 0.000 1.053 157 V CA -0.724 61.493 62.300 -0.137 0.000 0.957 157 V CB 1.799 33.526 31.823 -0.161 0.000 1.018 157 V HN 0.903 nan 8.190 nan 0.000 0.452 158 N N 1.030 119.567 118.700 -0.272 0.000 2.269 158 N HA 0.532 5.271 4.740 -0.001 0.000 0.304 158 N C -1.164 174.157 175.510 -0.316 0.000 1.072 158 N CA -0.493 52.480 53.050 -0.127 0.000 0.802 158 N CB 1.363 39.788 38.487 -0.103 0.000 1.348 158 N HN 0.850 nan 8.380 nan 0.000 0.484 159 H N 0.871 119.961 119.070 0.033 0.000 2.646 159 H HA 0.177 4.732 4.556 -0.001 0.000 0.328 159 H C -0.283 175.186 175.328 0.234 0.000 0.998 159 H CA -0.422 55.661 56.048 0.058 0.000 1.225 159 H CB 1.239 31.155 29.762 0.256 0.000 1.457 159 H HN 0.482 nan 8.280 nan 0.000 0.505 160 W N 3.240 124.545 121.300 0.008 0.000 1.564 160 W HA 0.116 4.775 4.660 -0.002 0.000 0.448 160 W C -0.444 176.044 176.519 -0.052 0.000 0.601 160 W CA -0.824 56.486 57.345 -0.058 0.000 2.326 160 W CB -1.059 28.286 29.460 -0.191 0.000 1.355 160 W HN 0.446 nan 8.180 nan 0.000 0.382 161 D N 0.915 121.485 120.400 0.283 0.000 2.198 161 D HA 0.112 4.751 4.640 -0.001 0.000 0.245 161 D C 0.438 176.864 176.300 0.210 0.000 1.079 161 D CA -0.123 54.014 54.000 0.228 0.000 0.854 161 D CB 0.855 41.856 40.800 0.334 0.000 1.148 161 D HN -0.089 nan 8.370 nan 0.000 0.456 162 N N 1.325 120.117 118.700 0.154 0.000 2.493 162 N HA 0.209 4.948 4.740 -0.001 0.000 0.275 162 N C 1.242 176.871 175.510 0.199 0.000 1.186 162 N CA -0.445 52.685 53.050 0.133 0.000 0.978 162 N CB 1.172 39.729 38.487 0.117 0.000 1.184 162 N HN 0.306 nan 8.380 nan 0.000 0.487 163 L N 0.759 122.037 121.223 0.091 0.000 2.275 163 L HA -0.127 4.212 4.340 -0.001 0.000 0.215 163 L C 1.627 178.634 176.870 0.228 0.000 1.119 163 L CA 0.670 55.554 54.840 0.072 0.000 0.790 163 L CB -0.432 41.428 42.059 -0.332 0.000 0.919 163 L HN 0.555 nan 8.230 nan 0.000 0.443 164 N N 1.068 119.870 118.700 0.169 0.000 2.573 164 N HA -0.202 4.537 4.740 -0.001 0.000 0.187 164 N C 0.730 176.367 175.510 0.212 0.000 1.107 164 N CA 0.495 53.653 53.050 0.180 0.000 0.918 164 N CB -0.106 38.454 38.487 0.122 0.000 0.966 164 N HN 0.292 nan 8.380 nan 0.000 0.448 165 R N -2.658 117.992 120.500 0.250 0.000 3.584 165 R HA -0.090 4.249 4.340 -0.001 0.000 0.488 165 R C -0.943 175.428 176.300 0.118 0.000 0.869 165 R CA 0.682 56.902 56.100 0.199 0.000 1.325 165 R CB -2.328 28.071 30.300 0.164 0.000 2.015 165 R HN 0.093 nan 8.270 nan 0.000 0.489 166 V N 2.096 122.090 119.914 0.134 0.000 2.530 166 V HA 0.233 4.352 4.120 -0.001 0.000 0.282 166 V C 0.864 177.011 176.094 0.089 0.000 1.048 166 V CA -0.227 62.149 62.300 0.127 0.000 0.997 166 V CB 1.694 33.632 31.823 0.192 0.000 0.987 166 V HN -0.014 nan 8.190 nan 0.000 0.477 167 V N 4.553 124.474 119.914 0.012 0.000 2.407 167 V HA 0.268 4.388 4.120 -0.001 0.000 0.278 167 V C 0.318 176.236 176.094 -0.293 0.000 1.037 167 V CA -0.586 61.657 62.300 -0.094 0.000 0.900 167 V CB 1.374 33.127 31.823 -0.116 0.000 0.983 167 V HN 0.977 nan 8.190 nan 0.000 0.459 168 E N 5.952 125.843 120.200 -0.515 0.000 2.257 168 E HA 0.207 4.556 4.350 -0.001 0.000 0.278 168 E C -0.096 176.144 176.600 -0.600 0.000 1.049 168 E CA -0.530 55.166 56.400 -1.174 0.000 0.876 168 E CB 0.198 29.143 29.700 -1.258 0.000 1.035 168 E HN 0.517 nan 8.360 nan 0.000 0.419 169 R N 1.879 121.999 120.500 -0.634 0.000 3.261 169 R HA -0.134 4.205 4.340 -0.001 0.000 0.257 169 R C -0.592 175.120 176.300 -0.980 0.000 1.014 169 R CA 0.894 56.646 56.100 -0.581 0.000 0.681 169 R CB -2.505 27.725 30.300 -0.117 0.000 1.155 169 R HN 0.616 nan 8.270 nan 0.000 0.424 170 G N 0.152 108.304 108.800 -1.081 0.000 2.605 170 G HA2 0.551 4.510 3.960 -0.001 0.000 0.304 170 G HA3 0.551 4.510 3.960 -0.001 0.000 0.304 170 G C -0.190 174.233 174.900 -0.795 0.000 1.333 170 G CA -0.566 44.065 45.100 -0.782 0.000 0.973 170 G HN 0.214 nan 8.290 nan 0.000 0.507 171 Y N 1.314 121.566 120.300 -0.079 0.000 2.660 171 Y HA 0.458 5.007 4.550 -0.002 0.000 0.254 171 Y C 1.517 177.451 175.900 0.055 0.000 1.176 171 Y CA -0.201 57.888 58.100 -0.019 0.000 1.195 171 Y CB 1.059 39.521 38.460 0.002 0.000 1.190 171 Y HN 0.638 nan 8.280 nan 0.000 0.535 172 A N -0.410 122.462 122.820 0.086 0.000 2.605 172 A HA 0.687 5.007 4.320 -0.001 0.000 0.292 172 A C 1.048 178.664 177.584 0.054 0.000 1.055 172 A CA 0.234 52.337 52.037 0.110 0.000 0.969 172 A CB -0.350 18.735 19.000 0.140 0.000 1.236 172 A HN 0.493 nan 8.150 nan 0.000 0.534 173 G N -0.708 108.107 108.800 0.026 0.000 2.483 173 G HA2 0.001 3.960 3.960 -0.001 0.000 0.521 173 G HA3 0.001 3.960 3.960 -0.001 0.000 0.521 173 G C -0.492 174.392 174.900 -0.027 0.000 1.278 173 G CA -0.586 44.516 45.100 0.002 0.000 0.965 173 G HN 0.582 nan 8.290 nan 0.000 0.504 174 L N 0.402 121.604 121.223 -0.034 0.000 2.472 174 L HA 0.487 4.826 4.340 -0.001 0.000 0.260 174 L C 1.736 178.542 176.870 -0.107 0.000 1.209 174 L CA 0.152 54.968 54.840 -0.041 0.000 0.817 174 L CB 1.020 43.066 42.059 -0.023 0.000 1.106 174 L HN 0.807 nan 8.230 nan 0.000 0.479 175 S N 0.643 116.275 115.700 -0.113 0.000 2.558 175 S HA -0.001 4.468 4.470 -0.001 0.000 0.291 175 S C 1.273 175.605 174.600 -0.445 0.000 1.306 175 S CA -0.737 57.300 58.200 -0.271 0.000 1.056 175 S CB 0.371 63.494 63.200 -0.129 0.000 0.836 175 S HN 0.443 nan 8.310 nan 0.000 0.504 176 L N 3.629 124.353 121.223 -0.832 0.000 2.191 176 L HA 0.003 4.342 4.340 -0.001 0.000 0.212 176 L C 0.733 177.301 176.870 -0.503 0.000 1.103 176 L CA 0.959 55.334 54.840 -0.774 0.000 0.769 176 L CB -1.304 40.088 42.059 -1.112 0.000 0.908 176 L HN 0.722 nan 8.230 nan 0.000 0.438 177 W N 0.486 121.631 121.300 -0.258 0.000 2.437 177 W HA 0.204 4.864 4.660 -0.001 0.000 0.312 177 W C 0.200 176.294 176.519 -0.708 0.000 1.242 177 W CA -1.055 55.902 57.345 -0.646 0.000 1.340 177 W CB 0.127 28.874 29.460 -1.189 0.000 1.327 177 W HN -0.028 nan 8.180 nan 0.000 0.476 178 D N 3.365 123.679 120.400 -0.143 0.000 2.563 178 D HA 0.102 4.741 4.640 -0.001 0.000 0.222 178 D C 0.574 176.878 176.300 0.008 0.000 1.145 178 D CA -0.481 53.501 54.000 -0.030 0.000 1.001 178 D CB -0.020 40.849 40.800 0.116 0.000 1.049 178 D HN 0.377 nan 8.370 nan 0.000 0.515 179 W N 1.935 123.355 121.300 0.201 0.000 2.342 179 W HA -0.055 4.604 4.660 -0.002 0.000 0.297 179 W C 2.459 179.007 176.519 0.047 0.000 1.213 179 W CA 0.614 58.034 57.345 0.124 0.000 1.251 179 W CB -0.218 29.364 29.460 0.205 0.000 1.136 179 W HN 0.442 nan 8.180 nan 0.000 0.526 180 G N -0.156 108.805 108.800 0.268 0.000 2.448 180 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 180 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 180 G C 1.407 176.381 174.900 0.123 0.000 1.127 180 G CA 1.443 46.639 45.100 0.160 0.000 0.766 180 G HN 0.336 nan 8.290 nan 0.000 0.552 181 S N -0.972 114.817 115.700 0.149 0.000 2.539 181 S HA 0.433 4.902 4.470 -0.001 0.000 0.221 181 S C 0.641 175.349 174.600 0.180 0.000 0.987 181 S CA -0.572 57.723 58.200 0.159 0.000 0.929 181 S CB 0.108 63.433 63.200 0.208 0.000 0.832 181 S HN 0.133 nan 8.310 nan 0.000 0.492 182 L N 2.418 123.735 121.223 0.156 0.000 2.399 182 L HA 0.401 4.741 4.340 -0.001 0.000 0.266 182 L C -1.397 175.516 176.870 0.072 0.000 1.114 182 L CA -2.164 52.748 54.840 0.120 0.000 0.804 182 L CB 1.089 43.211 42.059 0.105 0.000 1.146 182 L HN -0.022 nan 8.230 nan 0.000 0.451 183 P HA 0.029 nan 4.420 nan 0.000 0.249 183 P C 0.320 177.669 177.300 0.081 0.000 1.229 183 P CA 0.519 63.648 63.100 0.048 0.000 0.788 183 P CB 0.190 31.904 31.700 0.023 0.000 1.072 184 N N -0.420 118.341 118.700 0.102 0.000 2.104 184 N HA -0.175 4.564 4.740 -0.001 0.000 0.190 184 N C 0.402 176.031 175.510 0.198 0.000 1.024 184 N CA 0.985 54.108 53.050 0.122 0.000 0.853 184 N CB -0.873 37.676 38.487 0.104 0.000 1.008 184 N HN 0.200 nan 8.380 nan 0.000 0.424 185 Y N 1.562 121.907 120.300 0.076 0.000 2.454 185 Y HA 0.367 4.918 4.550 0.001 0.000 0.345 185 Y C -0.781 175.209 175.900 0.150 0.000 0.970 185 Y CA -1.457 56.693 58.100 0.083 0.000 1.204 185 Y CB 0.167 38.663 38.460 0.059 0.000 1.122 185 Y HN -0.058 nan 8.280 nan 0.000 0.514 186 L N 7.270 128.432 121.223 -0.102 0.000 2.389 186 L HA 0.441 4.780 4.340 -0.001 0.000 0.265 186 L C 0.681 177.281 176.870 -0.451 0.000 1.167 186 L CA -0.662 54.121 54.840 -0.096 0.000 1.045 186 L CB -0.329 41.751 42.059 0.036 0.000 1.351 186 L HN 0.737 nan 8.230 nan 0.000 0.419 187 A N 3.731 126.004 122.820 -0.912 0.000 2.511 187 A HA 0.249 4.569 4.320 -0.001 0.000 0.242 187 A C -1.295 175.991 177.584 -0.496 0.000 1.069 187 A CA -0.871 50.499 52.037 -1.112 0.000 0.763 187 A CB 0.135 18.363 19.000 -1.286 0.000 1.001 187 A HN 0.450 nan 8.150 nan 0.000 0.498 188 P HA -0.164 nan 4.420 nan 0.000 0.217 188 P C 1.590 178.922 177.300 0.053 0.000 1.148 188 P CA 1.250 64.339 63.100 -0.019 0.000 0.828 188 P CB 0.082 31.802 31.700 0.034 0.000 0.783 189 R N -1.398 119.077 120.500 -0.041 0.000 2.152 189 R HA -0.172 4.167 4.340 -0.001 0.000 0.232 189 R C 1.849 178.351 176.300 0.337 0.000 1.117 189 R CA 1.222 57.413 56.100 0.151 0.000 0.981 189 R CB -0.498 29.793 30.300 -0.015 0.000 0.870 189 R HN 0.168 nan 8.270 nan 0.000 0.451 190 Y N -0.285 120.191 120.300 0.294 0.000 2.242 190 Y HA -0.112 4.438 4.550 -0.001 0.000 0.291 190 Y C 2.450 178.646 175.900 0.493 0.000 1.137 190 Y CA 1.329 59.698 58.100 0.449 0.000 1.181 190 Y CB -0.905 37.721 38.460 0.277 0.000 0.989 190 Y HN 0.015 nan 8.280 nan 0.000 0.527 191 T N -0.221 114.600 114.554 0.446 0.000 2.821 191 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 191 T C 1.365 176.145 174.700 0.133 0.000 1.046 191 T CA 1.515 63.793 62.100 0.297 0.000 1.139 191 T CB -0.292 68.732 68.868 0.260 0.000 0.871 191 T HN 0.299 nan 8.240 nan 0.000 0.454 192 D N 0.239 120.773 120.400 0.223 0.000 2.144 192 D HA -0.077 4.562 4.640 -0.001 0.000 0.199 192 D C 1.692 177.984 176.300 -0.013 0.000 0.984 192 D CA 0.865 54.936 54.000 0.119 0.000 0.834 192 D CB -0.383 40.577 40.800 0.267 0.000 0.955 192 D HN 0.455 nan 8.370 nan 0.000 0.465 193 Y N 1.825 122.205 120.300 0.132 0.000 2.128 193 Y HA -0.230 4.319 4.550 -0.001 0.000 0.284 193 Y C 2.287 178.109 175.900 -0.130 0.000 1.154 193 Y CA 1.948 60.056 58.100 0.013 0.000 1.149 193 Y CB -0.315 38.399 38.460 0.423 0.000 0.976 193 Y HN -0.050 nan 8.280 nan 0.000 0.505 194 A N 0.635 123.416 122.820 -0.065 0.000 1.902 194 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 194 A C 2.285 179.568 177.584 -0.502 0.000 1.181 194 A CA 1.786 53.649 52.037 -0.291 0.000 0.623 194 A CB -0.639 18.325 19.000 -0.060 0.000 0.818 194 A HN 0.563 nan 8.150 nan 0.000 0.443 195 R N -0.565 119.568 120.500 -0.611 0.000 2.073 195 R HA -0.069 4.271 4.340 -0.001 0.000 0.234 195 R C 2.025 178.084 176.300 -0.401 0.000 1.134 195 R CA 1.648 57.504 56.100 -0.407 0.000 0.952 195 R CB -0.533 29.642 30.300 -0.209 0.000 0.850 195 R HN 0.569 nan 8.270 nan 0.000 0.433 196 I N 1.170 121.410 120.570 -0.549 0.000 2.127 196 I HA -0.339 3.830 4.170 -0.001 0.000 0.241 196 I C 1.976 177.827 176.117 -0.444 0.000 1.075 196 I CA 1.315 62.188 61.300 -0.713 0.000 1.334 196 I CB -0.339 36.992 38.000 -1.116 0.000 1.040 196 I HN 0.234 nan 8.210 nan 0.000 0.405 197 N N 0.767 119.229 118.700 -0.397 0.000 2.171 197 N HA -0.070 4.669 4.740 -0.001 0.000 0.184 197 N C 1.881 177.310 175.510 -0.135 0.000 1.021 197 N CA 1.461 54.409 53.050 -0.171 0.000 0.854 197 N CB -0.233 38.125 38.487 -0.215 0.000 0.994 197 N HN 0.325 nan 8.380 nan 0.000 0.426 198 A N 1.084 123.824 122.820 -0.134 0.000 2.019 198 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 198 A C 2.327 179.689 177.584 -0.370 0.000 1.164 198 A CA 1.799 53.855 52.037 0.032 0.000 0.644 198 A CB -0.640 18.570 19.000 0.350 0.000 0.805 198 A HN 0.446 nan 8.150 nan 0.000 0.449 199 S N -0.338 114.809 115.700 -0.921 0.000 2.442 199 S HA -0.017 4.452 4.470 -0.001 0.000 0.236 199 S C 1.423 175.715 174.600 -0.513 0.000 1.007 199 S CA 1.364 58.785 58.200 -1.297 0.000 0.965 199 S CB -0.459 62.267 63.200 -0.789 0.000 0.773 199 S HN 0.481 nan 8.310 nan 0.000 0.504 200 L N 0.338 121.344 121.223 -0.362 0.000 2.640 200 L HA 0.397 4.736 4.340 -0.001 0.000 0.230 200 L C 1.759 178.408 176.870 -0.369 0.000 1.123 200 L CA 0.266 54.874 54.840 -0.388 0.000 0.900 200 L CB -0.341 41.538 42.059 -0.299 0.000 1.146 200 L HN 0.543 nan 8.230 nan 0.000 0.484 201 G N 0.831 109.419 108.800 -0.353 0.000 2.143 201 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.249 201 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.249 201 G C 0.312 175.147 174.900 -0.109 0.000 0.981 201 G CA -0.407 44.413 45.100 -0.466 0.000 0.665 201 G HN 0.150 nan 8.290 nan 0.000 0.528 202 I N 1.786 122.354 120.570 -0.002 0.000 2.618 202 I HA 0.105 4.274 4.170 -0.001 0.000 0.284 202 I C 1.063 177.292 176.117 0.187 0.000 1.146 202 I CA 0.625 61.983 61.300 0.097 0.000 1.425 202 I CB 0.837 38.915 38.000 0.129 0.000 1.383 202 I HN 0.448 nan 8.210 nan 0.000 0.562 203 N N 3.860 122.697 118.700 0.228 0.000 2.197 203 N HA 0.245 4.984 4.740 -0.001 0.000 0.228 203 N C -0.088 175.633 175.510 0.351 0.000 1.212 203 N CA -0.308 52.929 53.050 0.312 0.000 0.883 203 N CB 1.072 39.758 38.487 0.332 0.000 1.107 203 N HN 0.591 nan 8.380 nan 0.000 0.519 204 G N -0.651 108.346 108.800 0.328 0.000 2.703 204 G HA2 0.556 4.515 3.960 -0.001 0.000 0.294 204 G HA3 0.556 4.515 3.960 -0.001 0.000 0.294 204 G C -1.694 173.408 174.900 0.336 0.000 1.451 204 G CA -0.540 44.827 45.100 0.445 0.000 0.869 204 G HN 0.297 nan 8.290 nan 0.000 0.516 205 T N -1.932 112.884 114.554 0.436 0.000 2.971 205 T HA 0.622 4.971 4.350 -0.001 0.000 0.304 205 T C -0.942 174.011 174.700 0.422 0.000 1.038 205 T CA -0.705 61.627 62.100 0.388 0.000 1.007 205 T CB 1.790 70.909 68.868 0.418 0.000 1.055 205 T HN 0.744 nan 8.240 nan 0.000 0.451 206 V N 4.796 124.925 119.914 0.358 0.000 2.333 206 V HA 0.312 4.431 4.120 -0.001 0.000 0.274 206 V C 1.420 177.751 176.094 0.394 0.000 1.028 206 V CA -0.761 61.752 62.300 0.354 0.000 0.851 206 V CB 0.476 32.474 31.823 0.291 0.000 1.000 206 V HN 0.992 nan 8.190 nan 0.000 0.456 207 I N 1.598 122.348 120.570 0.299 0.000 3.728 207 I HA 0.257 4.426 4.170 -0.001 0.000 0.307 207 I C 0.676 177.040 176.117 0.410 0.000 1.276 207 I CA 0.198 61.642 61.300 0.241 0.000 1.285 207 I CB -0.026 37.811 38.000 -0.272 0.000 1.038 207 I HN 0.672 nan 8.210 nan 0.000 0.445 208 N N 1.223 120.130 118.700 0.345 0.000 2.265 208 N HA 0.196 4.935 4.740 -0.001 0.000 0.300 208 N C -1.018 174.648 175.510 0.259 0.000 1.148 208 N CA -0.715 52.518 53.050 0.306 0.000 0.772 208 N CB 0.766 39.374 38.487 0.201 0.000 1.434 208 N HN -0.057 nan 8.380 nan 0.000 0.481 209 N N 0.122 118.939 118.700 0.195 0.000 2.412 209 N HA -0.052 4.687 4.740 -0.001 0.000 0.254 209 N C 1.554 177.077 175.510 0.022 0.000 1.232 209 N CA -0.063 53.050 53.050 0.105 0.000 0.880 209 N CB 0.857 39.350 38.487 0.010 0.000 1.076 209 N HN 0.499 nan 8.380 nan 0.000 0.458 210 V N 0.655 120.519 119.914 -0.084 0.000 2.594 210 V HA -0.066 4.053 4.120 -0.001 0.000 0.253 210 V C 0.534 176.550 176.094 -0.130 0.000 1.069 210 V CA 1.086 63.316 62.300 -0.115 0.000 1.082 210 V CB -0.545 31.160 31.823 -0.196 0.000 0.680 210 V HN 0.500 nan 8.190 nan 0.000 0.469 211 N N 2.663 121.261 118.700 -0.170 0.000 2.739 211 N HA 0.505 5.244 4.740 -0.001 0.000 0.266 211 N C 0.069 175.549 175.510 -0.050 0.000 1.168 211 N CA 0.727 53.719 53.050 -0.096 0.000 1.055 211 N CB 0.778 39.205 38.487 -0.100 0.000 1.393 211 N HN 0.701 nan 8.380 nan 0.000 0.514 212 A N 1.108 123.909 122.820 -0.031 0.000 2.363 212 A HA 0.170 4.489 4.320 -0.001 0.000 0.270 212 A C 0.210 177.778 177.584 -0.026 0.000 1.121 212 A CA -0.511 51.516 52.037 -0.016 0.000 0.800 212 A CB 0.580 19.582 19.000 0.003 0.000 1.052 212 A HN 0.383 nan 8.150 nan 0.000 0.493 213 D N 3.099 123.465 120.400 -0.057 0.000 2.274 213 D HA 0.303 4.942 4.640 -0.001 0.000 0.239 213 D C -1.584 174.647 176.300 -0.115 0.000 1.104 213 D CA -1.731 52.203 54.000 -0.110 0.000 0.840 213 D CB 1.574 42.266 40.800 -0.180 0.000 1.100 213 D HN 0.241 nan 8.370 nan 0.000 0.477 214 P HA -0.069 nan 4.420 nan 0.000 0.225 214 P C 1.028 178.298 177.300 -0.049 0.000 1.148 214 P CA 0.431 63.525 63.100 -0.011 0.000 0.779 214 P CB 0.448 32.117 31.700 -0.051 0.000 0.780 215 R N 0.352 120.707 120.500 -0.242 0.000 2.200 215 R HA -0.066 4.273 4.340 -0.001 0.000 0.234 215 R C 2.236 178.367 176.300 -0.282 0.000 1.127 215 R CA 1.395 57.309 56.100 -0.310 0.000 0.989 215 R CB -0.992 28.974 30.300 -0.558 0.000 0.869 215 R HN 0.225 nan 8.270 nan 0.000 0.459 216 V N -1.366 118.365 119.914 -0.304 0.000 2.720 216 V HA -0.123 3.997 4.120 -0.001 0.000 0.256 216 V C 1.624 177.706 176.094 -0.019 0.000 1.082 216 V CA 1.564 63.737 62.300 -0.212 0.000 1.101 216 V CB -0.515 31.214 31.823 -0.156 0.000 0.693 216 V HN 0.232 nan 8.190 nan 0.000 0.479 217 L N 1.685 122.959 121.223 0.085 0.000 2.592 217 L HA 0.240 4.579 4.340 -0.001 0.000 0.227 217 L C 1.329 178.264 176.870 0.109 0.000 1.127 217 L CA 0.427 55.308 54.840 0.068 0.000 0.884 217 L CB -0.247 41.846 42.059 0.058 0.000 1.065 217 L HN 0.558 nan 8.230 nan 0.000 0.457 218 S N -2.123 113.741 115.700 0.274 0.000 2.617 218 S HA 0.057 4.526 4.470 -0.001 0.000 0.269 218 S C 0.717 175.368 174.600 0.085 0.000 1.292 218 S CA -0.578 57.791 58.200 0.282 0.000 1.010 218 S CB 1.863 65.246 63.200 0.305 0.000 0.944 218 S HN 0.155 nan 8.310 nan 0.000 0.536 219 D N 0.570 121.006 120.400 0.060 0.000 2.123 219 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 219 D C 2.025 178.276 176.300 -0.081 0.000 0.992 219 D CA 1.860 55.852 54.000 -0.012 0.000 0.833 219 D CB -0.142 40.705 40.800 0.078 0.000 0.954 219 D HN 0.770 nan 8.370 nan 0.000 0.455 220 Q N -1.076 118.711 119.800 -0.021 0.000 2.096 220 Q HA -0.226 4.113 4.340 -0.001 0.000 0.208 220 Q C 1.763 177.601 176.000 -0.269 0.000 0.993 220 Q CA 1.641 57.372 55.803 -0.120 0.000 0.862 220 Q CB -0.241 28.442 28.738 -0.092 0.000 0.915 220 Q HN 0.399 nan 8.270 nan 0.000 0.416 221 F N -0.190 119.662 119.950 -0.164 0.000 2.335 221 F HA 0.008 4.534 4.527 -0.002 0.000 0.296 221 F C 1.967 177.617 175.800 -0.250 0.000 1.091 221 F CA 0.403 58.266 58.000 -0.228 0.000 1.399 221 F CB 0.070 38.873 39.000 -0.329 0.000 1.067 221 F HN 0.048 nan 8.300 nan 0.000 0.520 222 L N -0.329 120.771 121.223 -0.205 0.000 2.127 222 L HA -0.259 4.080 4.340 -0.001 0.000 0.211 222 L C 2.305 178.786 176.870 -0.648 0.000 1.089 222 L CA 1.343 55.894 54.840 -0.481 0.000 0.757 222 L CB -0.665 40.960 42.059 -0.724 0.000 0.899 222 L HN 0.222 nan 8.230 nan 0.000 0.434 223 Q N -0.093 119.368 119.800 -0.564 0.000 2.119 223 Q HA -0.206 4.133 4.340 -0.001 0.000 0.201 223 Q C 2.191 178.109 176.000 -0.137 0.000 0.972 223 Q CA 1.369 56.987 55.803 -0.308 0.000 0.847 223 Q CB -0.001 28.659 28.738 -0.129 0.000 0.903 223 Q HN 0.506 nan 8.270 nan 0.000 0.433 224 K N 0.406 120.748 120.400 -0.096 0.000 2.062 224 K HA -0.066 4.253 4.320 -0.001 0.000 0.205 224 K C 2.031 178.662 176.600 0.053 0.000 1.051 224 K CA 0.991 57.304 56.287 0.043 0.000 0.941 224 K CB -0.063 32.571 32.500 0.222 0.000 0.719 224 K HN 0.155 nan 8.250 nan 0.000 0.440 225 I N 1.451 122.064 120.570 0.072 0.000 2.286 225 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 225 I C 2.535 178.586 176.117 -0.109 0.000 1.115 225 I CA 1.018 62.328 61.300 0.015 0.000 1.392 225 I CB -0.398 37.626 38.000 0.040 0.000 1.065 225 I HN 0.148 nan 8.210 nan 0.000 0.418 226 A N 0.792 123.548 122.820 -0.107 0.000 1.940 226 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 226 A C 2.555 180.083 177.584 -0.093 0.000 1.176 226 A CA 1.868 53.866 52.037 -0.066 0.000 0.631 226 A CB -0.785 18.226 19.000 0.018 0.000 0.814 226 A HN 0.437 nan 8.150 nan 0.000 0.446 227 A N -0.188 122.566 122.820 -0.109 0.000 1.902 227 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 227 A C 2.170 179.588 177.584 -0.277 0.000 1.181 227 A CA 1.517 53.477 52.037 -0.128 0.000 0.623 227 A CB -0.587 18.361 19.000 -0.086 0.000 0.818 227 A HN 0.484 nan 8.150 nan 0.000 0.443 228 L N -0.852 120.096 121.223 -0.458 0.000 2.017 228 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 228 L C 3.105 179.365 176.870 -1.017 0.000 1.073 228 L CA 1.076 55.374 54.840 -0.904 0.000 0.745 228 L CB -0.622 40.809 42.059 -1.047 0.000 0.894 228 L HN 0.431 nan 8.230 nan 0.000 0.432 229 A N -0.119 122.386 122.820 -0.524 0.000 1.940 229 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 229 A C 1.888 179.407 177.584 -0.108 0.000 1.176 229 A CA 2.013 53.906 52.037 -0.241 0.000 0.631 229 A CB -0.502 18.465 19.000 -0.054 0.000 0.814 229 A HN 0.367 nan 8.150 nan 0.000 0.446 230 D N 0.059 120.394 120.400 -0.109 0.000 2.144 230 D HA -0.031 4.608 4.640 -0.001 0.000 0.199 230 D C 2.186 178.512 176.300 0.044 0.000 0.984 230 D CA 1.468 55.464 54.000 -0.007 0.000 0.834 230 D CB -0.405 40.393 40.800 -0.003 0.000 0.955 230 D HN 0.437 nan 8.370 nan 0.000 0.465 231 A N 0.180 122.982 122.820 -0.029 0.000 1.969 231 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 231 A C 1.727 179.569 177.584 0.430 0.000 1.169 231 A CA 0.844 52.974 52.037 0.155 0.000 0.635 231 A CB -0.578 18.498 19.000 0.128 0.000 0.810 231 A HN 0.109 nan 8.150 nan 0.000 0.445 232 F N -0.484 119.605 119.950 0.232 0.000 2.416 232 F HA 0.143 4.669 4.527 -0.002 0.000 0.296 232 F C 2.172 178.146 175.800 0.290 0.000 1.099 232 F CA 0.351 58.526 58.000 0.291 0.000 1.427 232 F CB -0.952 38.191 39.000 0.239 0.000 1.079 232 F HN 0.236 nan 8.300 nan 0.000 0.536 233 R N 1.135 121.854 120.500 0.366 0.000 2.096 233 R HA -0.154 4.185 4.340 -0.001 0.000 0.240 233 R C -0.694 175.721 176.300 0.192 0.000 1.139 233 R CA 1.911 58.159 56.100 0.246 0.000 0.952 233 R CB -1.450 28.945 30.300 0.158 0.000 0.854 233 R HN 0.121 nan 8.270 nan 0.000 0.436 234 P HA -0.133 nan 4.420 nan 0.000 0.225 234 P C 0.142 177.343 177.300 -0.165 0.000 1.148 234 P CA 1.298 64.373 63.100 -0.041 0.000 0.779 234 P CB -0.068 31.555 31.700 -0.129 0.000 0.780 235 Y N -0.568 119.840 120.300 0.181 0.000 2.461 235 Y HA 0.367 4.917 4.550 -0.001 0.000 0.277 235 Y C 1.898 177.910 175.900 0.186 0.000 1.182 235 Y CA 0.576 58.790 58.100 0.190 0.000 1.276 235 Y CB -0.488 38.106 38.460 0.223 0.000 1.087 235 Y HN 0.051 nan 8.280 nan 0.000 0.519 236 G N 0.781 109.730 108.800 0.248 0.000 2.143 236 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.249 236 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.249 236 G C 0.031 175.115 174.900 0.306 0.000 0.981 236 G CA 0.049 45.290 45.100 0.235 0.000 0.665 236 G HN 0.332 nan 8.290 nan 0.000 0.528 237 I N 1.135 121.904 120.570 0.331 0.000 2.304 237 I HA 0.309 4.479 4.170 -0.001 0.000 0.291 237 I C 0.683 177.001 176.117 0.336 0.000 1.018 237 I CA -0.565 60.931 61.300 0.326 0.000 1.260 237 I CB 1.129 39.286 38.000 0.262 0.000 1.390 237 I HN -0.048 nan 8.210 nan 0.000 0.475 238 K N 5.382 125.969 120.400 0.312 0.000 2.118 238 K HA 0.442 4.762 4.320 -0.001 0.000 0.264 238 K C -0.369 176.342 176.600 0.183 0.000 1.000 238 K CA -0.841 55.558 56.287 0.187 0.000 0.929 238 K CB 1.230 33.759 32.500 0.049 0.000 1.021 238 K HN 0.368 nan 8.250 nan 0.000 0.463 239 M N 2.700 122.294 119.600 -0.009 0.000 2.188 239 M HA 0.263 4.742 4.480 -0.001 0.000 0.357 239 M C -1.696 174.312 176.300 -0.487 0.000 1.204 239 M CA 0.124 55.429 55.300 0.008 0.000 1.095 239 M CB 0.362 33.022 32.600 0.099 0.000 1.604 239 M HN 0.409 nan 8.290 nan 0.000 0.464 240 Y N 4.271 124.495 120.300 -0.128 0.000 2.545 240 Y HA 0.757 5.306 4.550 -0.002 0.000 0.348 240 Y C -1.091 174.875 175.900 0.111 0.000 1.002 240 Y CA -0.892 57.078 58.100 -0.217 0.000 1.039 240 Y CB 1.695 40.152 38.460 -0.005 0.000 1.271 240 Y HN 0.578 nan 8.280 nan 0.000 0.467 241 L N 1.239 122.724 121.223 0.437 0.000 2.408 241 L HA 0.516 4.855 4.340 -0.001 0.000 0.268 241 L C -0.544 176.534 176.870 0.347 0.000 0.986 241 L CA -0.872 54.218 54.840 0.416 0.000 0.820 241 L CB 2.312 44.650 42.059 0.464 0.000 1.303 241 L HN 0.568 nan 8.230 nan 0.000 0.411 242 S N 2.874 118.715 115.700 0.235 0.000 2.549 242 S HA 0.472 4.941 4.470 -0.001 0.000 0.279 242 S C -0.267 174.371 174.600 0.062 0.000 1.321 242 S CA -0.405 57.883 58.200 0.147 0.000 1.054 242 S CB 0.545 63.816 63.200 0.119 0.000 0.899 242 S HN 0.403 nan 8.310 nan 0.000 0.497 243 I N 0.694 121.256 120.570 -0.014 0.000 2.693 243 I HA 0.604 4.773 4.170 -0.001 0.000 0.303 243 I C -0.406 175.729 176.117 0.030 0.000 1.025 243 I CA -0.967 60.304 61.300 -0.049 0.000 1.086 243 I CB 1.531 39.360 38.000 -0.285 0.000 1.268 243 I HN 0.472 nan 8.210 nan 0.000 0.440 244 N N 3.116 121.880 118.700 0.107 0.000 2.426 244 N HA 0.270 5.009 4.740 -0.001 0.000 0.257 244 N C 0.223 175.886 175.510 0.255 0.000 1.002 244 N CA -0.476 52.656 53.050 0.137 0.000 0.942 244 N CB 0.547 39.090 38.487 0.092 0.000 1.112 244 N HN 0.710 nan 8.380 nan 0.000 0.499 245 F N 3.401 123.413 119.950 0.103 0.000 2.269 245 F HA -0.017 4.509 4.527 -0.002 0.000 0.301 245 F C 1.313 177.261 175.800 0.246 0.000 1.082 245 F CA 1.108 59.212 58.000 0.173 0.000 1.360 245 F CB 0.178 39.240 39.000 0.103 0.000 1.041 245 F HN 0.584 nan 8.300 nan 0.000 0.512 246 N N -0.292 118.557 118.700 0.249 0.000 2.434 246 N HA -0.020 4.719 4.740 -0.001 0.000 0.196 246 N C 1.671 177.133 175.510 -0.081 0.000 1.183 246 N CA 0.515 53.630 53.050 0.108 0.000 0.849 246 N CB -0.187 38.390 38.487 0.149 0.000 0.992 246 N HN 0.120 nan 8.380 nan 0.000 0.460 247 S N 1.199 116.838 115.700 -0.102 0.000 2.380 247 S HA -0.120 4.349 4.470 -0.001 0.000 0.229 247 S C -0.713 173.416 174.600 -0.785 0.000 1.043 247 S CA 1.229 59.258 58.200 -0.285 0.000 1.038 247 S CB -0.877 62.188 63.200 -0.225 0.000 0.872 247 S HN 0.397 nan 8.310 nan 0.000 0.456 248 P HA -0.076 nan 4.420 nan 0.000 0.218 248 P C 1.254 178.141 177.300 -0.688 0.000 1.148 248 P CA 1.160 63.252 63.100 -1.679 0.000 0.822 248 P CB -0.009 30.915 31.700 -1.293 0.000 0.784 249 R N -0.571 119.694 120.500 -0.392 0.000 2.075 249 R HA 0.102 4.441 4.340 -0.001 0.000 0.226 249 R C 2.334 178.561 176.300 -0.121 0.000 1.114 249 R CA 1.224 57.215 56.100 -0.181 0.000 0.972 249 R CB -1.025 29.224 30.300 -0.084 0.000 0.869 249 R HN 0.114 nan 8.270 nan 0.000 0.437 250 A N 0.736 123.483 122.820 -0.122 0.000 1.933 250 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 250 A C 1.637 179.126 177.584 -0.159 0.000 1.175 250 A CA 1.155 53.117 52.037 -0.125 0.000 0.628 250 A CB -0.489 18.431 19.000 -0.133 0.000 0.814 250 A HN 0.220 nan 8.150 nan 0.000 0.444 251 F N -0.403 119.457 119.950 -0.150 0.000 2.811 251 F HA 0.276 4.802 4.527 -0.001 0.000 0.301 251 F C 1.879 177.659 175.800 -0.033 0.000 1.151 251 F CA 0.710 58.685 58.000 -0.042 0.000 1.412 251 F CB -0.121 38.936 39.000 0.096 0.000 1.113 251 F HN 0.371 nan 8.300 nan 0.000 0.579 252 G N 0.335 109.161 108.800 0.044 0.000 2.176 252 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.252 252 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.252 252 G C 0.741 175.664 174.900 0.039 0.000 1.024 252 G CA 0.639 45.750 45.100 0.018 0.000 0.755 252 G HN 0.345 nan 8.290 nan 0.000 0.507 253 D N -1.112 119.308 120.400 0.034 0.000 2.338 253 D HA 0.244 4.883 4.640 -0.001 0.000 0.208 253 D C 1.082 177.375 176.300 -0.011 0.000 0.997 253 D CA 1.012 55.051 54.000 0.065 0.000 0.880 253 D CB 0.827 41.770 40.800 0.239 0.000 0.980 253 D HN 0.398 nan 8.370 nan 0.000 0.509 254 V N 1.607 121.452 119.914 -0.115 0.000 2.971 254 V HA 0.127 4.246 4.120 -0.001 0.000 0.309 254 V C -0.333 175.702 176.094 -0.099 0.000 1.130 254 V CA -0.883 61.352 62.300 -0.108 0.000 0.964 254 V CB 2.386 34.109 31.823 -0.167 0.000 1.029 254 V HN -0.089 nan 8.190 nan 0.000 0.427 255 D N 0.070 120.438 120.400 -0.053 0.000 2.319 255 D HA 0.185 4.825 4.640 -0.001 0.000 0.230 255 D C 0.425 176.720 176.300 -0.008 0.000 1.094 255 D CA 0.224 54.210 54.000 -0.024 0.000 0.856 255 D CB 0.651 41.449 40.800 -0.003 0.000 0.915 255 D HN 0.548 nan 8.370 nan 0.000 0.517 256 T N -2.167 112.352 114.554 -0.058 0.000 2.792 256 T HA 0.626 4.975 4.350 -0.001 0.000 0.303 256 T C -1.154 173.395 174.700 -0.251 0.000 1.310 256 T CA -0.250 61.801 62.100 -0.081 0.000 1.007 256 T CB 1.368 70.193 68.868 -0.072 0.000 1.335 256 T HN -0.080 nan 8.240 nan 0.000 0.504 257 A N 1.430 123.917 122.820 -0.555 0.000 2.603 257 A HA 0.408 4.727 4.320 -0.001 0.000 0.277 257 A C 0.152 177.323 177.584 -0.689 0.000 1.158 257 A CA -0.075 51.634 52.037 -0.547 0.000 0.962 257 A CB -0.109 18.722 19.000 -0.281 0.000 1.189 257 A HN 0.746 nan 8.150 nan 0.000 0.552 258 D N 1.808 121.714 120.400 -0.824 0.000 2.520 258 D HA 0.033 4.672 4.640 -0.001 0.000 0.243 258 D C -1.127 175.132 176.300 -0.069 0.000 1.160 258 D CA -1.275 52.503 54.000 -0.370 0.000 0.877 258 D CB 1.100 41.802 40.800 -0.165 0.000 1.150 258 D HN 0.178 nan 8.370 nan 0.000 0.494 259 P HA -0.091 nan 4.420 nan 0.000 0.230 259 P C 1.325 178.674 177.300 0.082 0.000 1.158 259 P CA 0.630 63.811 63.100 0.135 0.000 0.769 259 P CB 0.274 32.139 31.700 0.275 0.000 0.807 260 L N -0.852 120.407 121.223 0.061 0.000 2.558 260 L HA 0.145 4.484 4.340 -0.001 0.000 0.225 260 L C 1.162 178.052 176.870 0.033 0.000 1.128 260 L CA 0.174 55.040 54.840 0.042 0.000 0.868 260 L CB -0.484 41.597 42.059 0.036 0.000 1.006 260 L HN -0.034 nan 8.230 nan 0.000 0.454 261 D N 1.757 122.172 120.400 0.024 0.000 2.317 261 D HA 0.070 4.709 4.640 -0.001 0.000 0.252 261 D C -1.503 174.819 176.300 0.037 0.000 1.174 261 D CA -1.794 52.217 54.000 0.018 0.000 0.866 261 D CB 1.886 42.681 40.800 -0.009 0.000 1.127 261 D HN -0.072 nan 8.370 nan 0.000 0.467 262 P HA -0.151 nan 4.420 nan 0.000 0.219 262 P C 1.067 178.404 177.300 0.062 0.000 1.146 262 P CA 0.941 64.070 63.100 0.049 0.000 0.808 262 P CB 0.400 32.122 31.700 0.035 0.000 0.779 263 R N -0.432 120.098 120.500 0.051 0.000 2.092 263 R HA -0.024 4.315 4.340 -0.001 0.000 0.231 263 R C 2.382 178.742 176.300 0.100 0.000 1.119 263 R CA 0.921 57.059 56.100 0.062 0.000 0.970 263 R CB -0.955 29.366 30.300 0.035 0.000 0.864 263 R HN 0.099 nan 8.270 nan 0.000 0.440 264 V N 1.369 121.332 119.914 0.080 0.000 2.358 264 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 264 V C 2.202 178.470 176.094 0.290 0.000 1.047 264 V CA 1.700 64.078 62.300 0.129 0.000 1.035 264 V CB -0.475 31.375 31.823 0.045 0.000 0.658 264 V HN 0.339 nan 8.190 nan 0.000 0.452 265 Q N -0.418 119.509 119.800 0.213 0.000 2.096 265 Q HA -0.314 4.025 4.340 -0.001 0.000 0.204 265 Q C 2.340 178.482 176.000 0.236 0.000 0.982 265 Q CA 2.017 57.957 55.803 0.229 0.000 0.850 265 Q CB -0.259 28.559 28.738 0.135 0.000 0.901 265 Q HN 0.538 nan 8.270 nan 0.000 0.422 266 Q N 0.060 119.962 119.800 0.170 0.000 2.119 266 Q HA -0.180 4.159 4.340 -0.001 0.000 0.201 266 Q C 1.450 177.516 176.000 0.110 0.000 0.972 266 Q CA 1.487 57.363 55.803 0.122 0.000 0.847 266 Q CB -0.440 28.344 28.738 0.078 0.000 0.903 266 Q HN 0.516 nan 8.270 nan 0.000 0.433 267 W N -0.709 120.562 121.300 -0.048 0.000 2.335 267 W HA -0.203 4.456 4.660 -0.002 0.000 0.311 267 W C 1.274 177.660 176.519 -0.221 0.000 1.213 267 W CA 1.871 59.096 57.345 -0.201 0.000 1.274 267 W CB -0.532 28.726 29.460 -0.336 0.000 1.148 267 W HN 0.237 nan 8.180 nan 0.000 0.498 268 W N 0.569 122.022 121.300 0.254 0.000 2.436 268 W HA -0.073 4.586 4.660 -0.002 0.000 0.284 268 W C 2.588 179.129 176.519 0.037 0.000 1.225 268 W CA 1.683 59.130 57.345 0.170 0.000 1.271 268 W CB -0.660 28.958 29.460 0.263 0.000 1.114 268 W HN -0.175 nan 8.180 nan 0.000 0.559 269 K N -0.109 120.435 120.400 0.240 0.000 2.026 269 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 269 K C 1.798 178.426 176.600 0.048 0.000 1.048 269 K CA 2.035 58.420 56.287 0.163 0.000 0.929 269 K CB -0.478 32.098 32.500 0.127 0.000 0.713 269 K HN -0.071 nan 8.250 nan 0.000 0.439 270 T N 0.572 115.070 114.554 -0.094 0.000 2.788 270 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 270 T C 1.807 176.315 174.700 -0.320 0.000 1.044 270 T CA 1.345 63.325 62.100 -0.201 0.000 1.139 270 T CB -0.198 68.499 68.868 -0.285 0.000 0.867 270 T HN 0.209 nan 8.240 nan 0.000 0.454 271 R N 1.625 121.825 120.500 -0.500 0.000 2.075 271 R HA 0.156 4.495 4.340 -0.001 0.000 0.232 271 R C 2.391 178.555 176.300 -0.227 0.000 1.126 271 R CA 1.521 57.285 56.100 -0.560 0.000 0.963 271 R CB -0.988 28.745 30.300 -0.944 0.000 0.858 271 R HN 0.346 nan 8.270 nan 0.000 0.435 272 A N 0.261 123.056 122.820 -0.043 0.000 1.902 272 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 272 A C 2.068 179.501 177.584 -0.251 0.000 1.181 272 A CA 1.631 53.654 52.037 -0.023 0.000 0.623 272 A CB -0.528 18.557 19.000 0.142 0.000 0.818 272 A HN 0.511 nan 8.150 nan 0.000 0.443 273 Q N -0.628 119.071 119.800 -0.169 0.000 2.096 273 Q HA -0.218 4.121 4.340 -0.001 0.000 0.204 273 Q C 2.224 178.116 176.000 -0.180 0.000 0.982 273 Q CA 1.888 57.600 55.803 -0.152 0.000 0.850 273 Q CB -0.207 28.552 28.738 0.036 0.000 0.901 273 Q HN 0.726 nan 8.270 nan 0.000 0.422 274 K N 0.878 121.171 120.400 -0.177 0.000 2.057 274 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 274 K C 1.968 178.507 176.600 -0.102 0.000 1.050 274 K CA 1.098 57.302 56.287 -0.138 0.000 0.935 274 K CB -0.069 32.340 32.500 -0.151 0.000 0.715 274 K HN 0.153 nan 8.250 nan 0.000 0.439 275 I N 0.205 120.637 120.570 -0.230 0.000 2.163 275 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 275 I C 1.868 177.724 176.117 -0.435 0.000 1.085 275 I CA 1.441 62.499 61.300 -0.404 0.000 1.347 275 I CB -0.331 37.203 38.000 -0.777 0.000 1.044 275 I HN 0.180 nan 8.210 nan 0.000 0.408 276 Y N 0.798 120.831 120.300 -0.444 0.000 2.421 276 Y HA -0.199 4.350 4.550 -0.001 0.000 0.292 276 Y C 2.908 178.693 175.900 -0.192 0.000 1.136 276 Y CA 1.288 59.169 58.100 -0.365 0.000 1.255 276 Y CB -0.431 37.608 38.460 -0.703 0.000 0.991 276 Y HN 0.264 nan 8.280 nan 0.000 0.552 277 S N -1.172 114.472 115.700 -0.094 0.000 2.402 277 S HA -0.222 4.247 4.470 -0.001 0.000 0.229 277 S C 1.575 176.061 174.600 -0.190 0.000 1.021 277 S CA 1.199 59.313 58.200 -0.143 0.000 0.974 277 S CB -0.755 62.301 63.200 -0.240 0.000 0.800 277 S HN 0.480 nan 8.310 nan 0.000 0.484 278 Y N 1.135 121.362 120.300 -0.122 0.000 2.397 278 Y HA 0.480 5.030 4.550 -0.001 0.000 0.292 278 Y C 0.903 176.746 175.900 -0.094 0.000 1.115 278 Y CA 0.060 58.097 58.100 -0.106 0.000 1.208 278 Y CB 0.320 38.699 38.460 -0.134 0.000 1.046 278 Y HN 0.223 nan 8.280 nan 0.000 0.552 279 I N 0.852 121.430 120.570 0.014 0.000 2.641 279 I HA 0.208 4.378 4.170 -0.001 0.000 0.275 279 I C -2.268 173.844 176.117 -0.008 0.000 1.129 279 I CA -1.607 59.689 61.300 -0.007 0.000 1.094 279 I CB 1.863 39.850 38.000 -0.022 0.000 1.232 279 I HN -0.156 nan 8.210 nan 0.000 0.503 280 P HA -0.112 nan 4.420 nan 0.000 0.226 280 P C 0.433 177.928 177.300 0.324 0.000 1.153 280 P CA 1.171 64.400 63.100 0.217 0.000 0.777 280 P CB 0.019 31.811 31.700 0.153 0.000 0.794 281 D N -2.067 118.461 120.400 0.213 0.000 2.501 281 D HA 0.017 4.656 4.640 -0.001 0.000 0.226 281 D C 0.025 176.417 176.300 0.153 0.000 1.198 281 D CA -1.055 53.075 54.000 0.218 0.000 0.830 281 D CB -1.213 39.677 40.800 0.149 0.000 1.014 281 D HN 0.012 nan 8.370 nan 0.000 0.496 282 F N 1.663 121.520 119.950 -0.156 0.000 2.629 282 F HA 0.323 4.849 4.527 -0.002 0.000 0.377 282 F C 1.662 177.289 175.800 -0.288 0.000 1.101 282 F CA 0.743 58.504 58.000 -0.399 0.000 1.301 282 F CB 1.172 39.606 39.000 -0.944 0.000 1.062 282 F HN 0.042 nan 8.300 nan 0.000 0.583 283 G N 3.009 111.116 108.800 -1.155 0.000 2.394 283 G HA2 0.375 4.334 3.960 -0.001 0.000 0.215 283 G HA3 0.375 4.334 3.960 -0.001 0.000 0.215 283 G C 0.638 174.952 174.900 -0.977 0.000 1.165 283 G CA 0.625 44.924 45.100 -1.334 0.000 0.784 283 G HN 1.438 nan 8.290 nan 0.000 0.535 284 G N -1.501 106.554 108.800 -1.241 0.000 2.278 284 G HA2 0.290 4.249 3.960 -0.001 0.000 0.265 284 G HA3 0.290 4.249 3.960 -0.001 0.000 0.265 284 G C -1.467 173.374 174.900 -0.098 0.000 1.329 284 G CA -0.830 43.960 45.100 -0.516 0.000 1.017 284 G HN 0.253 nan 8.290 nan 0.000 0.472 285 F N -0.176 119.796 119.950 0.037 0.000 2.522 285 F HA 0.823 5.349 4.527 -0.001 0.000 0.324 285 F C 0.167 176.022 175.800 0.091 0.000 1.077 285 F CA -1.353 56.727 58.000 0.133 0.000 0.944 285 F CB 1.844 40.937 39.000 0.155 0.000 1.175 285 F HN 0.496 nan 8.300 nan 0.000 0.468 286 L N 2.941 124.389 121.223 0.376 0.000 2.317 286 L HA 0.843 5.182 4.340 -0.001 0.000 0.281 286 L C -1.120 175.828 176.870 0.130 0.000 1.024 286 L CA -0.588 54.426 54.840 0.290 0.000 0.810 286 L CB 1.591 43.825 42.059 0.291 0.000 1.240 286 L HN 0.332 nan 8.230 nan 0.000 0.427 287 V N 4.668 124.579 119.914 -0.005 0.000 2.525 287 V HA 0.443 4.563 4.120 -0.001 0.000 0.299 287 V C -0.516 175.338 176.094 -0.400 0.000 1.034 287 V CA -0.856 61.292 62.300 -0.253 0.000 0.863 287 V CB 1.458 32.980 31.823 -0.501 0.000 0.999 287 V HN 0.749 nan 8.190 nan 0.000 0.423 288 K N 3.689 123.925 120.400 -0.272 0.000 2.316 288 K HA 0.825 5.144 4.320 -0.001 0.000 0.267 288 K C -0.580 175.870 176.600 -0.249 0.000 1.025 288 K CA -0.249 55.906 56.287 -0.221 0.000 0.896 288 K CB 1.358 33.800 32.500 -0.096 0.000 1.124 288 K HN 0.907 nan 8.250 nan 0.000 0.451 289 A N 3.899 126.529 122.820 -0.317 0.000 2.393 289 A HA 0.414 4.734 4.320 -0.001 0.000 0.306 289 A C -0.814 176.758 177.584 -0.021 0.000 1.050 289 A CA -0.557 51.324 52.037 -0.260 0.000 0.724 289 A CB 0.841 19.483 19.000 -0.596 0.000 1.248 289 A HN 0.921 nan 8.150 nan 0.000 0.424 290 D N 0.198 120.599 120.400 0.001 0.000 2.708 290 D HA -0.131 4.508 4.640 -0.001 0.000 0.236 290 D C -0.094 176.196 176.300 -0.017 0.000 1.146 290 D CA 1.961 55.983 54.000 0.038 0.000 0.662 290 D CB -0.937 39.966 40.800 0.172 0.000 1.059 290 D HN 0.662 nan 8.370 nan 0.000 0.428 291 S N -0.730 114.937 115.700 -0.054 0.000 2.575 291 S HA 0.352 4.821 4.470 -0.001 0.000 0.278 291 S C 0.023 174.568 174.600 -0.091 0.000 1.139 291 S CA -0.427 57.691 58.200 -0.136 0.000 0.954 291 S CB 1.245 64.391 63.200 -0.090 0.000 1.054 291 S HN 0.183 nan 8.310 nan 0.000 0.483 292 E N 2.616 122.740 120.200 -0.127 0.000 2.440 292 E HA -0.262 4.088 4.350 -0.001 0.000 0.246 292 E C 0.872 177.504 176.600 0.054 0.000 1.165 292 E CA 0.775 57.195 56.400 0.033 0.000 0.726 292 E CB -1.785 27.995 29.700 0.133 0.000 1.271 292 E HN 1.508 nan 8.360 nan 0.000 0.397 293 G N -0.735 108.068 108.800 0.004 0.000 2.179 293 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.260 293 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.260 293 G C 0.188 175.093 174.900 0.009 0.000 0.977 293 G CA 0.388 45.494 45.100 0.011 0.000 0.641 293 G HN 0.218 nan 8.290 nan 0.000 0.533 294 Q N 1.087 120.889 119.800 0.003 0.000 2.352 294 Q HA 0.371 4.711 4.340 -0.001 0.000 0.260 294 Q C -2.020 173.987 176.000 0.012 0.000 0.976 294 Q CA -1.438 54.368 55.803 0.006 0.000 0.881 294 Q CB 0.913 29.645 28.738 -0.011 0.000 1.235 294 Q HN 0.311 nan 8.270 nan 0.000 0.419 295 P HA 0.317 nan 4.420 nan 0.000 0.272 295 P C -0.308 177.036 177.300 0.073 0.000 1.240 295 P CA -0.066 63.092 63.100 0.098 0.000 0.791 295 P CB 0.712 32.534 31.700 0.204 0.000 0.978 296 G N -0.280 108.546 108.800 0.043 0.000 2.495 296 G HA2 0.365 4.324 3.960 -0.001 0.000 0.294 296 G HA3 0.365 4.324 3.960 -0.001 0.000 0.294 296 G C -2.663 172.071 174.900 -0.277 0.000 1.397 296 G CA -0.776 44.142 45.100 -0.303 0.000 0.790 296 G HN 0.089 nan 8.290 nan 0.000 0.486 297 P HA -0.100 nan 4.420 nan 0.000 0.218 297 P C 1.454 178.818 177.300 0.107 0.000 1.148 297 P CA 1.225 64.269 63.100 -0.093 0.000 0.822 297 P CB 0.216 31.837 31.700 -0.132 0.000 0.784 298 Q N -0.719 119.115 119.800 0.056 0.000 2.291 298 Q HA -0.043 4.297 4.340 -0.001 0.000 0.206 298 Q C 2.281 178.241 176.000 -0.068 0.000 0.976 298 Q CA 1.279 57.084 55.803 0.002 0.000 0.875 298 Q CB -0.851 27.867 28.738 -0.033 0.000 0.927 298 Q HN 0.294 nan 8.270 nan 0.000 0.450 299 G N -0.622 108.096 108.800 -0.136 0.000 2.559 299 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 299 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 299 G C 0.418 174.924 174.900 -0.657 0.000 1.126 299 G CA 0.426 45.290 45.100 -0.393 0.000 0.778 299 G HN 0.341 nan 8.290 nan 0.000 0.543 300 Y N -0.735 119.595 120.300 0.050 0.000 2.682 300 Y HA 0.391 4.940 4.550 -0.002 0.000 0.251 300 Y C 1.690 177.609 175.900 0.031 0.000 1.172 300 Y CA -0.775 57.360 58.100 0.058 0.000 1.186 300 Y CB 0.507 39.034 38.460 0.111 0.000 1.216 300 Y HN 0.148 nan 8.280 nan 0.000 0.540 301 G N 0.990 109.827 108.800 0.062 0.000 2.179 301 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 301 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 301 G C 0.180 175.102 174.900 0.037 0.000 1.010 301 G CA -0.092 45.025 45.100 0.028 0.000 0.736 301 G HN 0.111 nan 8.290 nan 0.000 0.513 302 R N 0.181 120.723 120.500 0.070 0.000 2.856 302 R HA 0.617 4.956 4.340 -0.001 0.000 0.258 302 R C 0.127 176.437 176.300 0.017 0.000 1.066 302 R CA -0.390 55.739 56.100 0.048 0.000 1.045 302 R CB 0.821 31.180 30.300 0.098 0.000 1.178 302 R HN 0.470 nan 8.270 nan 0.000 0.499 303 D N -1.822 118.562 120.400 -0.025 0.000 2.387 303 D HA 0.153 4.792 4.640 -0.001 0.000 0.255 303 D C 0.777 177.080 176.300 0.005 0.000 1.081 303 D CA -0.363 53.608 54.000 -0.047 0.000 0.994 303 D CB 0.491 41.208 40.800 -0.139 0.000 1.127 303 D HN 0.454 nan 8.370 nan 0.000 0.513 304 H N -0.409 118.537 119.070 -0.207 0.000 2.421 304 H HA -0.087 4.469 4.556 -0.001 0.000 0.298 304 H C 1.789 176.840 175.328 -0.461 0.000 1.087 304 H CA 0.939 56.845 56.048 -0.236 0.000 1.330 304 H CB 0.253 30.037 29.762 0.038 0.000 1.388 304 H HN 0.573 nan 8.280 nan 0.000 0.526 305 A N 1.276 123.846 122.820 -0.416 0.000 1.898 305 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 305 A C 2.143 179.501 177.584 -0.377 0.000 1.181 305 A CA 1.423 53.036 52.037 -0.705 0.000 0.620 305 A CB -0.274 18.127 19.000 -0.998 0.000 0.819 305 A HN 0.437 nan 8.150 nan 0.000 0.442 306 E N -0.610 119.439 120.200 -0.252 0.000 2.077 306 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 306 E C 2.132 178.687 176.600 -0.076 0.000 0.989 306 E CA 0.893 57.218 56.400 -0.126 0.000 0.800 306 E CB -0.360 29.302 29.700 -0.064 0.000 0.746 306 E HN 0.609 nan 8.360 nan 0.000 0.452 307 G N 1.046 109.769 108.800 -0.127 0.000 2.404 307 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.215 307 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.215 307 G C 1.696 176.556 174.900 -0.067 0.000 1.174 307 G CA 0.802 45.909 45.100 0.012 0.000 0.780 307 G HN 0.345 nan 8.290 nan 0.000 0.537 308 A N 1.276 123.740 122.820 -0.594 0.000 1.902 308 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 308 A C 2.244 179.805 177.584 -0.039 0.000 1.181 308 A CA 1.899 53.710 52.037 -0.377 0.000 0.623 308 A CB -0.422 18.236 19.000 -0.570 0.000 0.818 308 A HN 0.340 nan 8.150 nan 0.000 0.443 309 N N -0.631 118.029 118.700 -0.066 0.000 2.309 309 N HA -0.104 4.636 4.740 -0.001 0.000 0.182 309 N C 1.641 177.162 175.510 0.018 0.000 1.018 309 N CA 1.264 54.308 53.050 -0.010 0.000 0.876 309 N CB -0.431 38.027 38.487 -0.048 0.000 0.972 309 N HN 0.503 nan 8.380 nan 0.000 0.434 310 M N 0.636 120.251 119.600 0.025 0.000 2.099 310 M HA -0.054 4.425 4.480 -0.001 0.000 0.262 310 M C 1.658 177.980 176.300 0.037 0.000 1.067 310 M CA 1.218 56.544 55.300 0.044 0.000 1.124 310 M CB -0.431 32.204 32.600 0.059 0.000 1.353 310 M HN 0.066 nan 8.290 nan 0.000 0.410 311 L N 0.197 121.428 121.223 0.012 0.000 2.046 311 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 311 L C 2.737 179.665 176.870 0.097 0.000 1.077 311 L CA 1.175 56.031 54.840 0.027 0.000 0.747 311 L CB -1.102 41.015 42.059 0.097 0.000 0.896 311 L HN 0.349 nan 8.230 nan 0.000 0.432 312 A N 0.147 123.016 122.820 0.082 0.000 1.933 312 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 312 A C 2.521 180.137 177.584 0.052 0.000 1.175 312 A CA 1.743 53.814 52.037 0.056 0.000 0.628 312 A CB -0.628 18.404 19.000 0.054 0.000 0.814 312 A HN 0.410 nan 8.150 nan 0.000 0.444 313 A N -0.270 122.586 122.820 0.059 0.000 1.969 313 A HA 0.222 4.541 4.320 -0.001 0.000 0.218 313 A C 2.450 180.083 177.584 0.083 0.000 1.169 313 A CA 1.803 53.873 52.037 0.056 0.000 0.635 313 A CB -0.855 18.177 19.000 0.053 0.000 0.810 313 A HN 1.013 nan 8.150 nan 0.000 0.445 314 A N -0.370 122.530 122.820 0.133 0.000 1.933 314 A HA 0.013 4.333 4.320 -0.001 0.000 0.218 314 A C 2.074 179.784 177.584 0.209 0.000 1.175 314 A CA 1.449 53.606 52.037 0.200 0.000 0.628 314 A CB -0.440 18.743 19.000 0.305 0.000 0.814 314 A HN 0.467 nan 8.150 nan 0.000 0.444 315 L N -1.474 119.829 121.223 0.132 0.000 2.375 315 L HA -0.018 4.322 4.340 -0.001 0.000 0.215 315 L C 2.385 179.303 176.870 0.081 0.000 1.108 315 L CA 1.007 55.919 54.840 0.119 0.000 0.830 315 L CB -0.237 41.809 42.059 -0.021 0.000 0.959 315 L HN 0.297 nan 8.230 nan 0.000 0.457 316 K N 1.379 121.797 120.400 0.031 0.000 2.044 316 K HA -0.159 4.160 4.320 -0.001 0.000 0.210 316 K C -0.609 175.932 176.600 -0.098 0.000 1.049 316 K CA 1.692 57.970 56.287 -0.015 0.000 0.927 316 K CB -1.156 31.338 32.500 -0.010 0.000 0.713 316 K HN 0.098 nan 8.250 nan 0.000 0.443 317 P HA -0.093 nan 4.420 nan 0.000 0.221 317 P C 0.309 177.239 177.300 -0.618 0.000 1.145 317 P CA 1.118 63.948 63.100 -0.449 0.000 0.795 317 P CB 0.051 31.350 31.700 -0.668 0.000 0.775 318 F N -2.364 117.393 119.950 -0.322 0.000 2.695 318 F HA 0.404 4.930 4.527 -0.001 0.000 0.303 318 F C 1.706 177.302 175.800 -0.341 0.000 1.091 318 F CA 0.455 58.126 58.000 -0.548 0.000 1.300 318 F CB -0.339 37.808 39.000 -1.422 0.000 1.071 318 F HN -0.057 nan 8.300 nan 0.000 0.578 319 G N 0.424 109.210 108.800 -0.023 0.000 2.141 319 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.242 319 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.242 319 G C 0.612 175.575 174.900 0.104 0.000 0.982 319 G CA -0.223 44.912 45.100 0.058 0.000 0.662 319 G HN 0.723 nan 8.290 nan 0.000 0.527 320 G N -1.300 107.558 108.800 0.097 0.000 2.504 320 G HA2 0.711 4.670 3.960 -0.001 0.000 0.288 320 G HA3 0.711 4.670 3.960 -0.001 0.000 0.288 320 G C -0.258 174.612 174.900 -0.050 0.000 1.182 320 G CA 0.096 45.241 45.100 0.074 0.000 0.894 320 G HN 0.951 nan 8.290 nan 0.000 0.521 321 V N -0.307 119.504 119.914 -0.172 0.000 3.074 321 V HA 0.532 4.651 4.120 -0.001 0.000 0.314 321 V C -0.412 175.480 176.094 -0.338 0.000 1.117 321 V CA -0.687 61.443 62.300 -0.283 0.000 1.014 321 V CB 2.295 33.849 31.823 -0.449 0.000 1.057 321 V HN 0.516 nan 8.190 nan 0.000 0.438 322 V N 2.788 122.567 119.914 -0.225 0.000 2.378 322 V HA 0.449 4.568 4.120 -0.001 0.000 0.288 322 V C -0.981 175.117 176.094 0.006 0.000 1.016 322 V CA -0.411 61.858 62.300 -0.052 0.000 0.840 322 V CB 1.194 33.113 31.823 0.161 0.000 0.994 322 V HN 0.613 nan 8.190 nan 0.000 0.431 323 F N 4.316 124.322 119.950 0.093 0.000 2.368 323 F HA 0.305 4.831 4.527 -0.002 0.000 0.362 323 F C 0.121 175.987 175.800 0.111 0.000 1.137 323 F CA -1.160 56.859 58.000 0.032 0.000 1.161 323 F CB 0.535 39.507 39.000 -0.047 0.000 1.265 323 F HN 0.541 nan 8.300 nan 0.000 0.530 324 W N 6.290 127.644 121.300 0.090 0.000 2.314 324 W HA 0.408 5.068 4.660 -0.001 0.000 0.310 324 W C -0.319 176.187 176.519 -0.022 0.000 1.075 324 W CA -0.997 56.369 57.345 0.035 0.000 1.253 324 W CB 0.854 30.308 29.460 -0.009 0.000 1.238 324 W HN 0.467 nan 8.180 nan 0.000 0.440 325 R N 3.643 124.037 120.500 -0.178 0.000 2.442 325 R HA 0.231 4.570 4.340 -0.001 0.000 0.291 325 R C 0.908 177.204 176.300 -0.007 0.000 1.069 325 R CA 0.163 56.221 56.100 -0.070 0.000 1.022 325 R CB 1.014 31.298 30.300 -0.026 0.000 0.976 325 R HN 0.555 nan 8.270 nan 0.000 0.443 326 A N 3.748 126.506 122.820 -0.104 0.000 2.307 326 A HA 0.009 4.328 4.320 -0.001 0.000 0.218 326 A C 0.211 177.873 177.584 0.129 0.000 1.228 326 A CA -0.185 51.680 52.037 -0.286 0.000 0.857 326 A CB -0.026 18.574 19.000 -0.665 0.000 0.897 326 A HN 0.654 nan 8.150 nan 0.000 0.495 327 F N 1.548 121.519 119.950 0.035 0.000 2.651 327 F HA 0.459 4.985 4.527 -0.001 0.000 0.347 327 F C -0.522 175.420 175.800 0.237 0.000 1.284 327 F CA -0.561 57.499 58.000 0.100 0.000 1.175 327 F CB -0.065 38.954 39.000 0.032 0.000 1.542 327 F HN -0.093 nan 8.300 nan 0.000 0.661 328 V N 6.221 126.191 119.914 0.093 0.000 2.808 328 V HA 0.470 4.589 4.120 -0.001 0.000 0.308 328 V C -1.405 174.787 176.094 0.163 0.000 1.099 328 V CA -0.912 61.422 62.300 0.056 0.000 0.920 328 V CB 1.985 33.936 31.823 0.213 0.000 1.014 328 V HN 0.405 nan 8.190 nan 0.000 0.425 329 Y N 3.030 123.275 120.300 -0.092 0.000 2.376 329 Y HA 0.661 5.210 4.550 -0.002 0.000 0.321 329 Y C -0.762 175.155 175.900 0.028 0.000 1.189 329 Y CA -1.234 56.858 58.100 -0.014 0.000 1.069 329 Y CB 0.775 39.177 38.460 -0.097 0.000 1.292 329 Y HN 0.824 nan 8.280 nan 0.000 0.430 330 H N 1.920 120.945 119.070 -0.075 0.000 2.482 330 H HA 0.482 5.038 4.556 -0.001 0.000 0.344 330 H C -2.537 172.754 175.328 -0.062 0.000 1.151 330 H CA -2.961 53.010 56.048 -0.129 0.000 1.300 330 H CB 1.639 31.338 29.762 -0.104 0.000 1.494 330 H HN 0.425 nan 8.280 nan 0.000 0.542 331 P HA -0.105 nan 4.420 nan 0.000 0.220 331 P C 0.728 177.969 177.300 -0.099 0.000 1.148 331 P CA 1.498 64.524 63.100 -0.125 0.000 0.803 331 P CB 0.206 31.814 31.700 -0.153 0.000 0.782 332 D N -0.612 119.755 120.400 -0.055 0.000 2.325 332 D HA 0.043 4.682 4.640 -0.001 0.000 0.225 332 D C 0.669 176.942 176.300 -0.045 0.000 1.096 332 D CA -0.281 53.708 54.000 -0.018 0.000 0.844 332 D CB -0.515 40.309 40.800 0.040 0.000 0.925 332 D HN 0.155 nan 8.370 nan 0.000 0.513 333 I N -3.015 117.435 120.570 -0.200 0.000 2.797 333 I HA 0.332 4.501 4.170 -0.001 0.000 0.310 333 I C 1.337 177.444 176.117 -0.016 0.000 0.990 333 I CA -0.805 60.405 61.300 -0.151 0.000 1.228 333 I CB 1.391 39.189 38.000 -0.336 0.000 1.406 333 I HN -0.189 nan 8.210 nan 0.000 0.534 334 E N 1.093 121.312 120.200 0.031 0.000 2.077 334 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 334 E C -0.212 176.473 176.600 0.142 0.000 0.989 334 E CA 1.285 57.725 56.400 0.068 0.000 0.800 334 E CB 0.321 30.055 29.700 0.056 0.000 0.746 334 E HN 0.793 nan 8.360 nan 0.000 0.452 335 D N -1.186 119.311 120.400 0.161 0.000 2.602 335 D HA 0.094 4.733 4.640 -0.001 0.000 0.245 335 D C 0.297 176.724 176.300 0.210 0.000 1.325 335 D CA -0.394 53.745 54.000 0.231 0.000 0.952 335 D CB 0.956 41.886 40.800 0.216 0.000 1.317 335 D HN -0.031 nan 8.370 nan 0.000 0.577 336 R N 2.969 123.624 120.500 0.257 0.000 2.139 336 R HA -0.192 4.148 4.340 -0.001 0.000 0.243 336 R C 1.494 177.902 176.300 0.179 0.000 1.145 336 R CA 1.287 57.487 56.100 0.166 0.000 0.976 336 R CB -0.324 30.039 30.300 0.106 0.000 0.866 336 R HN 0.480 nan 8.270 nan 0.000 0.449 337 F N 1.335 121.324 119.950 0.064 0.000 2.154 337 F HA -0.196 4.330 4.527 -0.001 0.000 0.301 337 F C 1.873 177.698 175.800 0.042 0.000 1.087 337 F CA 1.748 59.779 58.000 0.052 0.000 1.274 337 F CB 0.011 39.024 39.000 0.022 0.000 1.009 337 F HN -0.023 nan 8.300 nan 0.000 0.485 338 R N -0.433 120.257 120.500 0.317 0.000 2.299 338 R HA 0.067 4.406 4.340 -0.001 0.000 0.197 338 R C 2.467 178.873 176.300 0.176 0.000 0.971 338 R CA 0.468 56.706 56.100 0.231 0.000 1.030 338 R CB -0.713 29.706 30.300 0.198 0.000 0.932 338 R HN 0.438 nan 8.270 nan 0.000 0.477 339 G N 1.419 110.307 108.800 0.147 0.000 2.480 339 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.216 339 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.216 339 G C 1.530 176.553 174.900 0.204 0.000 1.200 339 G CA 0.971 46.173 45.100 0.171 0.000 0.782 339 G HN 0.381 nan 8.290 nan 0.000 0.554 340 A N -0.316 122.618 122.820 0.189 0.000 1.902 340 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 340 A C 2.252 180.016 177.584 0.300 0.000 1.181 340 A CA 1.809 54.010 52.037 0.273 0.000 0.623 340 A CB -0.733 18.371 19.000 0.173 0.000 0.818 340 A HN 0.504 nan 8.150 nan 0.000 0.443 341 Y N 1.051 121.393 120.300 0.069 0.000 2.145 341 Y HA -0.232 4.317 4.550 -0.001 0.000 0.286 341 Y C 1.807 177.747 175.900 0.065 0.000 1.145 341 Y CA 2.195 60.319 58.100 0.041 0.000 1.148 341 Y CB -0.126 38.308 38.460 -0.042 0.000 0.981 341 Y HN 0.341 nan 8.280 nan 0.000 0.507 342 D N -0.203 120.354 120.400 0.262 0.000 2.219 342 D HA -0.134 4.505 4.640 -0.001 0.000 0.205 342 D C 1.997 178.302 176.300 0.009 0.000 0.970 342 D CA 1.034 55.120 54.000 0.144 0.000 0.851 342 D CB -0.079 40.826 40.800 0.176 0.000 0.943 342 D HN 0.471 nan 8.370 nan 0.000 0.488 343 E N -0.492 119.707 120.200 -0.001 0.000 2.072 343 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 343 E C 1.771 178.137 176.600 -0.391 0.000 0.982 343 E CA 0.634 56.894 56.400 -0.233 0.000 0.803 343 E CB -0.107 29.410 29.700 -0.306 0.000 0.755 343 E HN 0.354 nan 8.360 nan 0.000 0.453 344 F N -0.363 119.551 119.950 -0.061 0.000 2.582 344 F HA 0.090 4.616 4.527 -0.001 0.000 0.290 344 F C 2.273 178.010 175.800 -0.104 0.000 1.115 344 F CA 0.113 58.094 58.000 -0.032 0.000 1.445 344 F CB -0.106 38.895 39.000 0.001 0.000 1.126 344 F HN -0.090 nan 8.300 nan 0.000 0.574 345 M N 0.518 120.048 119.600 -0.117 0.000 2.106 345 M HA -0.144 4.335 4.480 -0.001 0.000 0.259 345 M C -0.605 175.613 176.300 -0.137 0.000 1.068 345 M CA 1.895 57.045 55.300 -0.250 0.000 1.100 345 M CB -2.214 30.036 32.600 -0.584 0.000 1.351 345 M HN -0.050 nan 8.290 nan 0.000 0.404 346 P HA -0.049 nan 4.420 nan 0.000 0.225 346 P C 1.286 178.529 177.300 -0.096 0.000 1.148 346 P CA 0.985 64.023 63.100 -0.102 0.000 0.779 346 P CB -0.130 31.502 31.700 -0.114 0.000 0.780 347 L N -1.715 119.470 121.223 -0.064 0.000 2.607 347 L HA 0.171 4.510 4.340 -0.001 0.000 0.228 347 L C 0.665 177.549 176.870 0.023 0.000 1.123 347 L CA -0.316 54.473 54.840 -0.085 0.000 0.890 347 L CB -0.484 41.522 42.059 -0.088 0.000 1.103 347 L HN -0.104 nan 8.230 nan 0.000 0.468 348 D N 0.959 121.387 120.400 0.047 0.000 2.487 348 D HA 0.212 4.851 4.640 -0.001 0.000 0.243 348 D C 1.312 177.626 176.300 0.025 0.000 1.154 348 D CA 1.505 55.541 54.000 0.061 0.000 0.876 348 D CB 0.956 41.736 40.800 -0.032 0.000 1.161 348 D HN 0.291 nan 8.370 nan 0.000 0.478 349 G N 4.185 113.028 108.800 0.070 0.000 2.199 349 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.254 349 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.254 349 G C 1.149 176.045 174.900 -0.007 0.000 0.982 349 G CA 0.396 45.515 45.100 0.032 0.000 0.632 349 G HN 0.543 nan 8.290 nan 0.000 0.529 350 K N -0.400 119.949 120.400 -0.085 0.000 2.393 350 K HA 0.296 4.615 4.320 -0.001 0.000 0.193 350 K C 0.451 176.862 176.600 -0.315 0.000 1.026 350 K CA 0.021 56.165 56.287 -0.239 0.000 1.064 350 K CB 0.225 32.499 32.500 -0.376 0.000 0.833 350 K HN 0.396 nan 8.250 nan 0.000 0.521 351 F N 1.492 121.417 119.950 -0.042 0.000 2.384 351 F HA 0.299 4.825 4.527 -0.001 0.000 0.338 351 F C 1.097 176.883 175.800 -0.024 0.000 1.103 351 F CA -1.051 56.919 58.000 -0.050 0.000 1.157 351 F CB 0.548 39.524 39.000 -0.042 0.000 1.167 351 F HN -0.115 nan 8.300 nan 0.000 0.529 352 A N 1.853 124.761 122.820 0.146 0.000 2.448 352 A HA 0.073 4.392 4.320 -0.001 0.000 0.239 352 A C 1.106 178.761 177.584 0.119 0.000 1.080 352 A CA -0.388 51.707 52.037 0.097 0.000 0.779 352 A CB 0.100 19.139 19.000 0.065 0.000 1.026 352 A HN 0.806 nan 8.150 nan 0.000 0.499 353 D N 0.383 120.846 120.400 0.105 0.000 2.264 353 D HA -0.120 4.519 4.640 -0.001 0.000 0.208 353 D C 0.961 177.359 176.300 0.163 0.000 0.966 353 D CA 1.469 55.553 54.000 0.141 0.000 0.864 353 D CB -0.016 40.864 40.800 0.133 0.000 0.933 353 D HN 0.706 nan 8.370 nan 0.000 0.499 354 N N 0.298 119.046 118.700 0.081 0.000 2.276 354 N HA -0.016 4.723 4.740 -0.001 0.000 0.212 354 N C -0.372 175.095 175.510 -0.071 0.000 1.127 354 N CA -0.064 52.966 53.050 -0.035 0.000 0.834 354 N CB 0.428 38.904 38.487 -0.017 0.000 1.014 354 N HN -0.126 nan 8.380 nan 0.000 0.491 355 V N 1.493 121.413 119.914 0.010 0.000 2.483 355 V HA 0.478 4.597 4.120 -0.001 0.000 0.295 355 V C 0.037 176.134 176.094 0.005 0.000 1.035 355 V CA -0.753 61.562 62.300 0.026 0.000 0.896 355 V CB 1.754 33.635 31.823 0.096 0.000 0.986 355 V HN 0.089 nan 8.190 nan 0.000 0.447 356 I N 5.013 125.600 120.570 0.028 0.000 2.466 356 I HA 0.362 4.531 4.170 -0.001 0.000 0.289 356 I C -0.846 175.274 176.117 0.004 0.000 1.026 356 I CA -0.831 60.496 61.300 0.045 0.000 1.078 356 I CB 1.973 40.065 38.000 0.153 0.000 1.249 356 I HN 0.373 nan 8.210 nan 0.000 0.429 357 L N 6.214 127.356 121.223 -0.135 0.000 2.313 357 L HA 0.245 4.584 4.340 -0.001 0.000 0.282 357 L C 0.074 176.868 176.870 -0.127 0.000 1.092 357 L CA 0.365 55.083 54.840 -0.204 0.000 0.831 357 L CB 0.865 42.681 42.059 -0.405 0.000 1.159 357 L HN 0.626 nan 8.230 nan 0.000 0.442 358 Q N 5.370 125.117 119.800 -0.088 0.000 2.360 358 Q HA 0.529 4.868 4.340 -0.001 0.000 0.254 358 Q C -1.366 174.564 176.000 -0.116 0.000 0.975 358 Q CA -0.245 55.503 55.803 -0.090 0.000 0.912 358 Q CB 0.663 29.357 28.738 -0.074 0.000 1.212 358 Q HN 0.707 nan 8.270 nan 0.000 0.452 359 I N 4.026 124.524 120.570 -0.120 0.000 2.406 359 I HA 0.346 4.515 4.170 -0.001 0.000 0.290 359 I C -0.171 175.915 176.117 -0.052 0.000 0.999 359 I CA -0.920 60.263 61.300 -0.195 0.000 1.124 359 I CB 1.829 39.499 38.000 -0.550 0.000 1.289 359 I HN 0.482 nan 8.210 nan 0.000 0.441 360 K N 4.494 124.853 120.400 -0.069 0.000 2.336 360 K HA 0.045 4.364 4.320 -0.001 0.000 0.262 360 K C 1.177 177.848 176.600 0.119 0.000 0.992 360 K CA -0.240 56.033 56.287 -0.023 0.000 0.927 360 K CB 0.480 32.802 32.500 -0.298 0.000 0.956 360 K HN 0.679 nan 8.250 nan 0.000 0.495 361 N N 0.532 119.357 118.700 0.207 0.000 2.205 361 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 361 N C 0.616 176.302 175.510 0.293 0.000 1.015 361 N CA 1.022 54.255 53.050 0.304 0.000 0.862 361 N CB -0.051 38.692 38.487 0.426 0.000 0.986 361 N HN 0.526 nan 8.380 nan 0.000 0.429 362 G N 0.059 108.940 108.800 0.135 0.000 2.714 362 G HA2 0.454 4.413 3.960 -0.001 0.000 0.292 362 G HA3 0.454 4.413 3.960 -0.001 0.000 0.292 362 G C -2.367 172.449 174.900 -0.139 0.000 1.308 362 G CA -1.150 43.944 45.100 -0.011 0.000 0.964 362 G HN -0.083 nan 8.290 nan 0.000 0.484 363 P HA 0.133 nan 4.420 nan 0.000 0.245 363 P C 0.901 178.064 177.300 -0.228 0.000 1.206 363 P CA 0.186 63.072 63.100 -0.357 0.000 0.781 363 P CB 0.616 31.835 31.700 -0.802 0.000 0.994 364 I N 0.309 120.785 120.570 -0.157 0.000 4.518 364 I HA 0.214 4.383 4.170 -0.001 0.000 0.231 364 I C 0.329 176.442 176.117 -0.006 0.000 1.003 364 I CA 1.036 62.313 61.300 -0.039 0.000 1.610 364 I CB -0.890 37.162 38.000 0.086 0.000 1.481 364 I HN -0.072 nan 8.210 nan 0.000 0.462 365 D N -0.571 119.774 120.400 -0.091 0.000 3.171 365 D HA 0.158 4.797 4.640 -0.001 0.000 0.240 365 D C -0.840 175.378 176.300 -0.136 0.000 1.432 365 D CA -0.408 53.463 54.000 -0.216 0.000 0.892 365 D CB -0.299 40.502 40.800 0.002 0.000 1.499 365 D HN 0.138 nan 8.370 nan 0.000 0.597 366 F N -0.118 119.833 119.950 0.000 0.000 3.100 366 F HA -0.276 4.251 4.527 -0.001 0.000 0.283 366 F C 0.973 176.745 175.800 -0.047 0.000 0.900 366 F CA 0.552 58.600 58.000 0.081 0.000 1.010 366 F CB -1.815 37.323 39.000 0.229 0.000 1.029 366 F HN 0.376 nan 8.300 nan 0.000 0.637 367 Q N 0.372 120.156 119.800 -0.027 0.000 2.417 367 Q HA 0.122 4.461 4.340 -0.001 0.000 0.241 367 Q C -0.955 175.049 176.000 0.006 0.000 1.008 367 Q CA -1.183 54.521 55.803 -0.165 0.000 0.901 367 Q CB 0.194 28.888 28.738 -0.073 0.000 1.259 367 Q HN 0.007 nan 8.270 nan 0.000 0.489 368 P HA -0.131 nan 4.420 nan 0.000 0.217 368 P C 0.015 177.381 177.300 0.110 0.000 1.148 368 P CA 1.489 64.515 63.100 -0.124 0.000 0.828 368 P CB 0.318 31.726 31.700 -0.486 0.000 0.783 369 R N -0.352 120.210 120.500 0.105 0.000 2.564 369 R HA 0.340 4.679 4.340 -0.001 0.000 0.284 369 R C -1.147 175.304 176.300 0.252 0.000 1.031 369 R CA -0.464 55.732 56.100 0.159 0.000 0.904 369 R CB 1.642 32.015 30.300 0.123 0.000 1.199 369 R HN -0.116 nan 8.270 nan 0.000 0.443 370 E N 4.185 124.447 120.200 0.103 0.000 2.317 370 E HA 0.406 4.755 4.350 -0.001 0.000 0.270 370 E C -2.509 173.932 176.600 -0.266 0.000 0.885 370 E CA -2.234 54.053 56.400 -0.189 0.000 0.760 370 E CB 2.675 32.275 29.700 -0.167 0.000 1.227 370 E HN 0.453 nan 8.360 nan 0.000 0.434 371 P HA 0.034 nan 4.420 nan 0.000 0.272 371 P C -0.367 176.974 177.300 0.069 0.000 1.230 371 P CA -0.297 62.679 63.100 -0.206 0.000 0.788 371 P CB 0.227 31.762 31.700 -0.274 0.000 0.949 372 F N -0.717 119.403 119.950 0.284 0.000 2.553 372 F HA 0.222 4.748 4.527 -0.001 0.000 0.356 372 F C 0.382 176.401 175.800 0.365 0.000 1.142 372 F CA -0.610 57.589 58.000 0.332 0.000 1.322 372 F CB -0.567 38.650 39.000 0.362 0.000 1.126 372 F HN 0.105 nan 8.300 nan 0.000 0.599 373 S N 2.814 118.780 115.700 0.444 0.000 2.509 373 S HA 0.281 4.750 4.470 -0.001 0.000 0.287 373 S C 1.254 175.966 174.600 0.186 0.000 1.248 373 S CA -0.138 58.144 58.200 0.135 0.000 1.089 373 S CB 0.811 63.988 63.200 -0.039 0.000 0.900 373 S HN 0.933 nan 8.310 nan 0.000 0.496 374 A N 4.337 127.042 122.820 -0.191 0.000 2.024 374 A HA -0.101 4.218 4.320 -0.001 0.000 0.220 374 A C 1.927 179.612 177.584 0.169 0.000 1.164 374 A CA 1.195 53.055 52.037 -0.295 0.000 0.643 374 A CB -0.550 17.886 19.000 -0.939 0.000 0.806 374 A HN 0.829 nan 8.150 nan 0.000 0.451 375 L N -1.904 119.388 121.223 0.116 0.000 2.081 375 L HA -0.225 4.115 4.340 -0.001 0.000 0.212 375 L C 2.332 179.235 176.870 0.054 0.000 1.080 375 L CA 1.309 56.171 54.840 0.037 0.000 0.754 375 L CB -0.552 41.386 42.059 -0.201 0.000 0.893 375 L HN 0.404 nan 8.230 nan 0.000 0.433 376 F N -0.190 119.893 119.950 0.221 0.000 2.202 376 F HA -0.207 4.319 4.527 -0.002 0.000 0.301 376 F C 2.395 178.393 175.800 0.330 0.000 1.082 376 F CA 1.183 59.317 58.000 0.224 0.000 1.313 376 F CB -0.678 38.441 39.000 0.199 0.000 1.024 376 F HN 0.035 nan 8.300 nan 0.000 0.495 377 A N -0.987 122.174 122.820 0.569 0.000 2.267 377 A HA 0.403 4.722 4.320 -0.001 0.000 0.213 377 A C 2.297 180.144 177.584 0.438 0.000 1.192 377 A CA 0.870 53.239 52.037 0.552 0.000 0.851 377 A CB -0.844 18.491 19.000 0.558 0.000 0.881 377 A HN 0.349 nan 8.150 nan 0.000 0.494 378 G N -1.377 107.585 108.800 0.271 0.000 2.724 378 G HA2 0.257 4.217 3.960 -0.001 0.000 0.205 378 G HA3 0.257 4.217 3.960 -0.001 0.000 0.205 378 G C 0.608 175.413 174.900 -0.159 0.000 1.112 378 G CA -0.166 45.002 45.100 0.113 0.000 0.793 378 G HN 0.262 nan 8.290 nan 0.000 0.526 379 M N 2.713 122.188 119.600 -0.208 0.000 2.108 379 M HA 0.240 4.719 4.480 -0.001 0.000 0.347 379 M C 0.901 176.823 176.300 -0.630 0.000 1.326 379 M CA -0.086 55.041 55.300 -0.288 0.000 1.126 379 M CB 0.922 33.431 32.600 -0.152 0.000 1.606 379 M HN 0.210 nan 8.290 nan 0.000 0.462 380 S N 2.805 118.108 115.700 -0.662 0.000 2.539 380 S HA 0.253 4.722 4.470 -0.001 0.000 0.221 380 S C 0.945 175.392 174.600 -0.255 0.000 0.987 380 S CA -0.403 57.283 58.200 -0.856 0.000 0.929 380 S CB 0.417 63.195 63.200 -0.704 0.000 0.832 380 S HN 0.773 nan 8.310 nan 0.000 0.492 381 R N 0.782 121.198 120.500 -0.140 0.000 2.642 381 R HA 0.315 4.654 4.340 -0.001 0.000 0.435 381 R C -0.974 175.344 176.300 0.030 0.000 1.046 381 R CA -0.052 56.034 56.100 -0.023 0.000 1.103 381 R CB 1.208 31.499 30.300 -0.015 0.000 1.425 381 R HN 0.214 nan 8.270 nan 0.000 0.586 382 T N 0.516 115.081 114.554 0.019 0.000 2.916 382 T HA 0.283 4.633 4.350 -0.001 0.000 0.298 382 T C -0.590 174.136 174.700 0.043 0.000 1.031 382 T CA -0.892 61.240 62.100 0.054 0.000 0.993 382 T CB 1.853 70.746 68.868 0.042 0.000 1.045 382 T HN 0.027 nan 8.240 nan 0.000 0.454 383 N N 2.804 121.542 118.700 0.063 0.000 2.492 383 N HA 0.345 5.085 4.740 -0.001 0.000 0.260 383 N C -0.462 175.070 175.510 0.038 0.000 1.215 383 N CA 0.316 53.420 53.050 0.090 0.000 0.923 383 N CB 0.426 39.001 38.487 0.147 0.000 1.092 383 N HN 0.567 nan 8.380 nan 0.000 0.448 384 M N 1.484 121.132 119.600 0.081 0.000 2.619 384 M HA 0.535 5.014 4.480 -0.001 0.000 0.297 384 M C -0.404 175.953 176.300 0.096 0.000 1.229 384 M CA -0.716 54.627 55.300 0.071 0.000 0.860 384 M CB 2.385 35.074 32.600 0.148 0.000 1.741 384 M HN 0.454 nan 8.290 nan 0.000 0.462 385 M N 1.066 120.710 119.600 0.073 0.000 2.520 385 M HA 0.694 5.173 4.480 -0.001 0.000 0.283 385 M C -1.577 174.752 176.300 0.048 0.000 1.237 385 M CA -0.964 54.346 55.300 0.017 0.000 0.885 385 M CB 2.478 35.024 32.600 -0.090 0.000 1.727 385 M HN 0.690 nan 8.290 nan 0.000 0.468 386 M N 2.105 121.670 119.600 -0.059 0.000 2.314 386 M HA 0.429 4.908 4.480 -0.001 0.000 0.342 386 M C -0.949 175.210 176.300 -0.235 0.000 1.171 386 M CA 0.468 55.682 55.300 -0.143 0.000 1.098 386 M CB 1.223 33.536 32.600 -0.477 0.000 1.559 386 M HN 0.802 nan 8.290 nan 0.000 0.459 387 E N 4.016 124.095 120.200 -0.202 0.000 2.185 387 E HA 0.363 4.712 4.350 -0.001 0.000 0.261 387 E C -1.821 174.743 176.600 -0.060 0.000 0.879 387 E CA -0.288 56.045 56.400 -0.111 0.000 0.756 387 E CB 0.814 30.543 29.700 0.048 0.000 1.152 387 E HN 0.732 nan 8.360 nan 0.000 0.416 388 F N 2.243 122.153 119.950 -0.068 0.000 2.425 388 F HA 0.297 4.823 4.527 -0.002 0.000 0.331 388 F C 0.527 175.983 175.800 -0.574 0.000 1.085 388 F CA -0.908 56.949 58.000 -0.238 0.000 1.028 388 F CB 1.904 40.577 39.000 -0.544 0.000 1.177 388 F HN 0.346 nan 8.300 nan 0.000 0.487 389 Q N 2.414 121.901 119.800 -0.522 0.000 2.307 389 Q HA 0.337 4.676 4.340 -0.001 0.000 0.262 389 Q C -0.302 175.496 176.000 -0.338 0.000 0.961 389 Q CA -0.425 54.883 55.803 -0.824 0.000 0.882 389 Q CB 1.472 29.340 28.738 -1.450 0.000 1.264 389 Q HN 0.693 nan 8.270 nan 0.000 0.446 390 I N 1.452 121.795 120.570 -0.378 0.000 2.685 390 I HA -0.015 4.154 4.170 -0.001 0.000 0.251 390 I C 1.201 177.202 176.117 -0.193 0.000 1.102 390 I CA 0.516 61.695 61.300 -0.201 0.000 1.442 390 I CB -0.017 37.826 38.000 -0.262 0.000 1.194 390 I HN 0.547 nan 8.210 nan 0.000 0.448 391 T N 1.997 116.387 114.554 -0.273 0.000 2.933 391 T HA -0.068 4.281 4.350 -0.001 0.000 0.306 391 T C 0.429 175.118 174.700 -0.018 0.000 1.045 391 T CA 0.200 62.225 62.100 -0.124 0.000 1.143 391 T CB 0.153 68.873 68.868 -0.247 0.000 1.003 391 T HN 0.249 nan 8.240 nan 0.000 0.540 392 Q N 3.412 123.281 119.800 0.115 0.000 3.122 392 Q HA 0.111 4.450 4.340 -0.001 0.000 0.360 392 Q C 1.394 177.427 176.000 0.054 0.000 1.300 392 Q CA -0.210 55.648 55.803 0.091 0.000 0.982 392 Q CB 0.268 29.055 28.738 0.081 0.000 1.534 392 Q HN 0.831 nan 8.270 nan 0.000 0.474 393 E N 0.202 120.441 120.200 0.065 0.000 2.097 393 E HA -0.225 4.125 4.350 -0.001 0.000 0.196 393 E C 0.243 176.650 176.600 -0.322 0.000 1.000 393 E CA 1.438 57.785 56.400 -0.089 0.000 0.804 393 E CB 0.248 29.782 29.700 -0.276 0.000 0.740 393 E HN 0.539 nan 8.360 nan 0.000 0.454 394 Y N -2.205 118.085 120.300 -0.018 0.000 2.481 394 Y HA 0.234 4.783 4.550 -0.000 0.000 0.247 394 Y C 0.158 175.861 175.900 -0.328 0.000 1.151 394 Y CA -0.263 57.637 58.100 -0.334 0.000 1.238 394 Y CB 0.681 38.864 38.460 -0.462 0.000 1.179 394 Y HN 0.002 nan 8.280 nan 0.000 0.524 395 F N -0.487 119.448 119.950 -0.025 0.000 2.764 395 F HA 0.498 5.024 4.527 -0.002 0.000 0.310 395 F C 1.219 176.864 175.800 -0.259 0.000 1.124 395 F CA -0.057 57.855 58.000 -0.146 0.000 1.252 395 F CB 1.033 39.956 39.000 -0.128 0.000 1.010 395 F HN 0.003 nan 8.300 nan 0.000 0.518 396 G N -0.290 108.405 108.800 -0.176 0.000 2.141 396 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.195 396 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.195 396 G C 0.341 175.295 174.900 0.091 0.000 1.012 396 G CA -0.377 44.461 45.100 -0.436 0.000 0.696 396 G HN 0.080 nan 8.290 nan 0.000 0.508 397 F N -1.859 117.898 119.950 -0.321 0.000 2.192 397 F HA -0.293 4.233 4.527 -0.002 0.000 0.317 397 F C 2.096 177.814 175.800 -0.136 0.000 1.454 397 F CA 1.407 58.982 58.000 -0.708 0.000 0.932 397 F CB -1.864 36.798 39.000 -0.564 0.000 4.108 397 F HN 1.223 nan 8.300 nan 0.000 0.138 398 A N -0.506 122.508 122.820 0.323 0.000 2.500 398 A HA 0.482 4.801 4.320 -0.001 0.000 0.267 398 A C 1.156 179.011 177.584 0.451 0.000 1.290 398 A CA 0.986 53.254 52.037 0.384 0.000 0.928 398 A CB -0.684 18.531 19.000 0.359 0.000 1.066 398 A HN 0.917 nan 8.150 nan 0.000 0.516 399 T N -3.808 111.035 114.554 0.481 0.000 2.990 399 T HA 0.223 4.572 4.350 -0.001 0.000 0.250 399 T C 0.525 175.512 174.700 0.478 0.000 1.041 399 T CA 0.120 62.499 62.100 0.466 0.000 1.010 399 T CB -0.288 68.841 68.868 0.435 0.000 1.003 399 T HN 0.534 nan 8.240 nan 0.000 0.499 400 H N 0.586 119.802 119.070 0.244 0.000 2.463 400 H HA 0.494 5.049 4.556 -0.002 0.000 0.332 400 H C -0.862 174.375 175.328 -0.151 0.000 1.127 400 H CA -0.993 55.120 56.048 0.109 0.000 1.238 400 H CB 2.296 32.124 29.762 0.110 0.000 1.478 400 H HN 0.111 nan 8.280 nan 0.000 0.499 401 L N 2.576 123.742 121.223 -0.095 0.000 2.278 401 L HA 0.422 4.761 4.340 -0.001 0.000 0.287 401 L C -0.506 176.253 176.870 -0.184 0.000 1.072 401 L CA -0.318 54.293 54.840 -0.381 0.000 0.819 401 L CB 0.120 41.974 42.059 -0.341 0.000 1.176 401 L HN 0.750 nan 8.230 nan 0.000 0.435 402 A N 4.857 127.555 122.820 -0.203 0.000 3.005 402 A HA 0.168 4.487 4.320 -0.001 0.000 0.308 402 A C -1.189 176.236 177.584 -0.265 0.000 1.173 402 A CA -0.474 51.439 52.037 -0.208 0.000 0.796 402 A CB 0.041 18.926 19.000 -0.191 0.000 1.325 402 A HN 0.625 nan 8.150 nan 0.000 0.467 403 Y N 1.997 122.109 120.300 -0.312 0.000 2.650 403 Y HA 0.133 4.682 4.550 -0.002 0.000 0.331 403 Y C 0.936 176.538 175.900 -0.497 0.000 1.165 403 Y CA 0.288 58.189 58.100 -0.331 0.000 1.473 403 Y CB 0.737 39.065 38.460 -0.221 0.000 1.224 403 Y HN 0.646 nan 8.280 nan 0.000 0.533 404 Q N 4.500 123.764 119.800 -0.894 0.000 2.425 404 Q HA 0.071 4.410 4.340 -0.001 0.000 0.204 404 Q C 2.128 177.098 176.000 -1.717 0.000 0.933 404 Q CA 0.680 55.702 55.803 -1.302 0.000 0.939 404 Q CB 0.042 28.000 28.738 -1.301 0.000 1.044 404 Q HN 1.110 nan 8.270 nan 0.000 0.513 405 G N 2.745 110.431 108.800 -1.858 0.000 2.556 405 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 405 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 405 G C -1.012 173.391 174.900 -0.829 0.000 1.156 405 G CA 0.681 44.993 45.100 -1.312 0.000 0.766 405 G HN 0.362 nan 8.290 nan 0.000 0.583 406 P HA 0.001 nan 4.420 nan 0.000 0.220 406 P C 1.989 179.078 177.300 -0.352 0.000 1.148 406 P CA 0.417 63.282 63.100 -0.392 0.000 0.803 406 P CB -0.053 31.473 31.700 -0.290 0.000 0.782 407 L N -2.003 118.905 121.223 -0.525 0.000 2.027 407 L HA -0.129 4.210 4.340 -0.001 0.000 0.206 407 L C 2.019 178.745 176.870 -0.240 0.000 1.074 407 L CA 1.648 56.273 54.840 -0.359 0.000 0.745 407 L CB -0.551 41.245 42.059 -0.438 0.000 0.898 407 L HN -0.154 nan 8.230 nan 0.000 0.433 408 F N 0.496 120.153 119.950 -0.487 0.000 2.102 408 F HA -0.200 4.326 4.527 -0.002 0.000 0.298 408 F C 2.619 178.255 175.800 -0.272 0.000 1.105 408 F CA 1.493 59.086 58.000 -0.678 0.000 1.239 408 F CB -1.200 37.292 39.000 -0.847 0.000 0.991 408 F HN 0.267 nan 8.300 nan 0.000 0.474 409 E N 0.489 120.656 120.200 -0.055 0.000 2.077 409 E HA -0.271 4.078 4.350 -0.001 0.000 0.193 409 E C 2.223 178.828 176.600 0.008 0.000 0.989 409 E CA 1.441 57.831 56.400 -0.017 0.000 0.800 409 E CB -0.210 29.459 29.700 -0.051 0.000 0.746 409 E HN 0.545 nan 8.360 nan 0.000 0.452 410 E N -0.044 120.150 120.200 -0.010 0.000 2.058 410 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 410 E C 2.109 178.756 176.600 0.078 0.000 0.997 410 E CA 1.553 57.969 56.400 0.027 0.000 0.801 410 E CB -0.082 29.628 29.700 0.016 0.000 0.746 410 E HN 0.117 nan 8.360 nan 0.000 0.450 411 S N 0.391 116.169 115.700 0.130 0.000 2.353 411 S HA -0.135 4.334 4.470 -0.001 0.000 0.222 411 S C 1.940 176.597 174.600 0.096 0.000 1.035 411 S CA 1.258 59.572 58.200 0.190 0.000 1.025 411 S CB -0.252 63.185 63.200 0.395 0.000 0.902 411 S HN 0.278 nan 8.310 nan 0.000 0.440 412 L N 0.769 122.057 121.223 0.109 0.000 2.141 412 L HA -0.033 4.306 4.340 -0.001 0.000 0.209 412 L C 1.883 178.739 176.870 -0.024 0.000 1.094 412 L CA 1.112 55.966 54.840 0.024 0.000 0.763 412 L CB -0.300 41.811 42.059 0.087 0.000 0.908 412 L HN 0.179 nan 8.230 nan 0.000 0.437 413 K N -0.766 119.636 120.400 0.004 0.000 2.417 413 K HA 0.111 4.430 4.320 -0.001 0.000 0.196 413 K C 0.219 176.796 176.600 -0.038 0.000 1.023 413 K CA -0.065 56.213 56.287 -0.014 0.000 1.122 413 K CB 0.169 32.673 32.500 0.006 0.000 0.850 413 K HN 0.117 nan 8.250 nan 0.000 0.521 414 T N 2.229 116.755 114.554 -0.047 0.000 2.853 414 T HA -0.004 4.345 4.350 -0.001 0.000 0.298 414 T C -0.035 174.556 174.700 -0.181 0.000 0.978 414 T CA 0.088 62.155 62.100 -0.055 0.000 1.152 414 T CB 0.710 69.574 68.868 -0.007 0.000 0.914 414 T HN 0.119 nan 8.240 nan 0.000 0.539 415 E N 2.318 122.421 120.200 -0.163 0.000 2.290 415 E HA 0.153 4.502 4.350 -0.001 0.000 0.277 415 E C 1.186 177.571 176.600 -0.357 0.000 1.035 415 E CA -0.149 56.072 56.400 -0.299 0.000 0.873 415 E CB 0.625 30.121 29.700 -0.339 0.000 1.029 415 E HN 0.670 nan 8.360 nan 0.000 0.419 416 T N 1.076 115.378 114.554 -0.420 0.000 3.014 416 T HA 0.030 4.379 4.350 -0.001 0.000 0.250 416 T C 0.266 174.965 174.700 -0.001 0.000 1.060 416 T CA 0.319 62.238 62.100 -0.301 0.000 1.040 416 T CB -0.267 68.363 68.868 -0.397 0.000 0.971 416 T HN 0.684 nan 8.240 nan 0.000 0.497 417 H N 0.190 119.220 119.070 -0.067 0.000 2.861 417 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 417 H C 1.652 176.986 175.328 0.010 0.000 1.176 417 H CA 0.545 56.573 56.048 -0.033 0.000 1.146 417 H CB -1.794 27.950 29.762 -0.031 0.000 1.330 417 H HN 0.655 nan 8.280 nan 0.000 0.379 418 A N 0.816 123.683 122.820 0.078 0.000 1.908 418 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 418 A C 1.763 179.405 177.584 0.097 0.000 1.181 418 A CA 1.803 53.924 52.037 0.140 0.000 0.627 418 A CB 0.053 19.132 19.000 0.133 0.000 0.818 418 A HN 0.381 nan 8.150 nan 0.000 0.445 419 R N -1.625 118.861 120.500 -0.023 0.000 2.754 419 R HA 0.444 4.783 4.340 -0.001 0.000 0.255 419 R C -0.018 176.262 176.300 -0.035 0.000 1.723 419 R CA 0.446 56.533 56.100 -0.021 0.000 1.596 419 R CB -0.181 30.069 30.300 -0.084 0.000 1.424 419 R HN 1.150 nan 8.270 nan 0.000 0.662 420 G N 1.624 110.433 108.800 0.015 0.000 2.795 420 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.664 420 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.664 420 G C -0.565 174.333 174.900 -0.004 0.000 1.381 420 G CA -0.173 44.938 45.100 0.018 0.000 0.853 420 G HN 0.628 nan 8.290 nan 0.000 0.545 421 E N 0.176 120.380 120.200 0.006 0.000 2.415 421 E HA 0.413 4.763 4.350 -0.001 0.000 0.262 421 E C 1.468 178.013 176.600 -0.093 0.000 1.038 421 E CA 0.951 57.321 56.400 -0.049 0.000 0.921 421 E CB -0.002 29.695 29.700 -0.005 0.000 0.950 421 E HN 2.489 nan 8.360 nan 0.000 0.438 422 G N 2.666 111.384 108.800 -0.137 0.000 2.175 422 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.244 422 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.244 422 G C 0.281 175.085 174.900 -0.161 0.000 0.982 422 G CA 0.255 45.280 45.100 -0.124 0.000 0.641 422 G HN 0.468 nan 8.290 nan 0.000 0.527 423 S N 2.156 117.734 115.700 -0.204 0.000 3.697 423 S HA 0.418 4.887 4.470 -0.001 0.000 0.207 423 S C 1.074 175.514 174.600 -0.266 0.000 1.459 423 S CA 0.501 58.560 58.200 -0.236 0.000 1.122 423 S CB -0.137 62.931 63.200 -0.220 0.000 1.311 423 S HN 1.048 nan 8.310 nan 0.000 0.487 424 T N -0.623 113.789 114.554 -0.237 0.000 2.860 424 T HA 0.299 4.648 4.350 -0.001 0.000 0.299 424 T C 1.612 176.135 174.700 -0.294 0.000 1.045 424 T CA -0.780 61.172 62.100 -0.247 0.000 1.071 424 T CB 0.461 69.229 68.868 -0.168 0.000 0.985 424 T HN 0.078 nan 8.240 nan 0.000 0.537 425 I N 1.805 122.179 120.570 -0.327 0.000 2.163 425 I HA -0.119 4.050 4.170 -0.001 0.000 0.243 425 I C 2.804 178.667 176.117 -0.423 0.000 1.085 425 I CA 2.047 63.107 61.300 -0.400 0.000 1.347 425 I CB -1.995 35.764 38.000 -0.402 0.000 1.044 425 I HN 0.986 nan 8.210 nan 0.000 0.408 426 G N 1.122 109.681 108.800 -0.401 0.000 2.440 426 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.218 426 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.218 426 G C 1.478 175.854 174.900 -0.873 0.000 1.154 426 G CA 0.736 45.387 45.100 -0.749 0.000 0.767 426 G HN 0.342 nan 8.290 nan 0.000 0.552 427 N N 0.486 118.932 118.700 -0.424 0.000 2.244 427 N HA -0.001 4.739 4.740 -0.001 0.000 0.183 427 N C 2.214 177.573 175.510 -0.251 0.000 1.016 427 N CA 0.549 53.445 53.050 -0.256 0.000 0.866 427 N CB -0.175 38.221 38.487 -0.151 0.000 0.980 427 N HN 0.378 nan 8.380 nan 0.000 0.430 428 I N 0.788 121.194 120.570 -0.273 0.000 2.179 428 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 428 I C 2.019 178.056 176.117 -0.134 0.000 1.088 428 I CA 0.794 61.979 61.300 -0.192 0.000 1.357 428 I CB -0.215 37.707 38.000 -0.129 0.000 1.051 428 I HN 0.054 nan 8.210 nan 0.000 0.409 429 L N 0.331 121.409 121.223 -0.242 0.000 2.042 429 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 429 L C 2.552 179.339 176.870 -0.138 0.000 1.076 429 L CA 1.578 56.300 54.840 -0.197 0.000 0.749 429 L CB -0.657 41.221 42.059 -0.303 0.000 0.893 429 L HN 0.324 nan 8.230 nan 0.000 0.432 430 E N -0.097 119.987 120.200 -0.194 0.000 2.265 430 E HA -0.181 4.168 4.350 -0.001 0.000 0.196 430 E C 1.481 178.054 176.600 -0.045 0.000 0.996 430 E CA 0.861 57.211 56.400 -0.084 0.000 0.832 430 E CB 0.037 29.732 29.700 -0.009 0.000 0.756 430 E HN 0.550 nan 8.360 nan 0.000 0.491 431 G N 0.467 109.243 108.800 -0.040 0.000 2.179 431 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.220 431 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.220 431 G C 0.893 175.786 174.900 -0.011 0.000 0.990 431 G CA 0.348 45.451 45.100 0.005 0.000 0.646 431 G HN 0.253 nan 8.290 nan 0.000 0.517 432 K N 0.015 120.383 120.400 -0.054 0.000 2.296 432 K HA 0.274 4.593 4.320 -0.001 0.000 0.200 432 K C 2.356 178.892 176.600 -0.106 0.000 1.048 432 K CA 1.151 57.400 56.287 -0.064 0.000 0.966 432 K CB 0.128 32.588 32.500 -0.067 0.000 0.754 432 K HN 0.344 nan 8.250 nan 0.000 0.466 433 V N 0.103 119.901 119.914 -0.194 0.000 2.379 433 V HA -0.125 3.994 4.120 -0.001 0.000 0.243 433 V C 1.408 177.286 176.094 -0.360 0.000 1.035 433 V CA 1.544 63.612 62.300 -0.385 0.000 1.035 433 V CB -0.237 31.188 31.823 -0.663 0.000 0.673 433 V HN 0.140 nan 8.190 nan 0.000 0.457 434 F N -0.462 119.493 119.950 0.009 0.000 2.704 434 F HA 0.387 4.913 4.527 -0.001 0.000 0.304 434 F C 0.716 176.528 175.800 0.020 0.000 1.094 434 F CA -0.688 57.325 58.000 0.022 0.000 1.275 434 F CB 0.106 39.127 39.000 0.035 0.000 1.073 434 F HN -0.043 nan 8.300 nan 0.000 0.586 435 K N 1.548 122.039 120.400 0.153 0.000 3.549 435 K HA -0.133 4.186 4.320 -0.001 0.000 0.275 435 K C -0.059 176.601 176.600 0.099 0.000 1.060 435 K CA 0.791 57.133 56.287 0.092 0.000 0.812 435 K CB -2.526 30.022 32.500 0.080 0.000 1.374 435 K HN 0.471 nan 8.250 nan 0.000 0.455 436 T N -3.003 111.612 114.554 0.101 0.000 2.948 436 T HA 0.656 5.005 4.350 -0.001 0.000 0.285 436 T C 1.216 175.956 174.700 0.067 0.000 1.019 436 T CA -0.989 61.171 62.100 0.099 0.000 1.013 436 T CB 2.187 71.133 68.868 0.130 0.000 1.117 436 T HN 0.276 nan 8.240 nan 0.000 0.533 437 R N -1.212 119.333 120.500 0.075 0.000 2.225 437 R HA 0.229 4.568 4.340 -0.001 0.000 0.194 437 R C 0.054 176.309 176.300 -0.075 0.000 0.957 437 R CA 0.221 56.322 56.100 0.002 0.000 1.042 437 R CB 0.166 30.476 30.300 0.016 0.000 1.004 437 R HN 0.665 nan 8.270 nan 0.000 0.509 438 H N -0.119 119.021 119.070 0.117 0.000 2.505 438 H HA 0.286 4.841 4.556 -0.001 0.000 0.338 438 H C -0.584 174.850 175.328 0.176 0.000 1.057 438 H CA -0.369 55.789 56.048 0.183 0.000 1.202 438 H CB 1.571 31.471 29.762 0.230 0.000 1.466 438 H HN 0.011 nan 8.280 nan 0.000 0.499 439 T N 1.030 115.757 114.554 0.289 0.000 2.906 439 T HA 0.875 5.224 4.350 -0.001 0.000 0.295 439 T C 0.123 174.936 174.700 0.189 0.000 1.075 439 T CA -0.565 61.638 62.100 0.170 0.000 1.005 439 T CB 2.388 71.288 68.868 0.053 0.000 1.136 439 T HN 0.778 nan 8.240 nan 0.000 0.498 440 G N 0.178 109.023 108.800 0.076 0.000 2.322 440 G HA2 0.522 4.482 3.960 -0.001 0.000 0.295 440 G HA3 0.522 4.482 3.960 -0.001 0.000 0.295 440 G C -2.087 172.773 174.900 -0.066 0.000 1.369 440 G CA -0.993 44.123 45.100 0.028 0.000 0.821 440 G HN 0.896 nan 8.290 nan 0.000 0.536 441 M N 0.071 119.625 119.600 -0.078 0.000 2.378 441 M HA 0.668 5.147 4.480 -0.001 0.000 0.289 441 M C -0.571 175.757 176.300 0.047 0.000 1.136 441 M CA -0.629 54.634 55.300 -0.061 0.000 0.917 441 M CB 2.538 35.097 32.600 -0.069 0.000 1.669 441 M HN 1.106 nan 8.290 nan 0.000 0.461 442 A N 1.719 124.541 122.820 0.002 0.000 2.350 442 A HA 0.935 5.254 4.320 -0.001 0.000 0.324 442 A C -0.411 177.014 177.584 -0.265 0.000 1.118 442 A CA -0.603 51.385 52.037 -0.081 0.000 0.783 442 A CB 1.410 20.264 19.000 -0.242 0.000 1.236 442 A HN 0.892 nan 8.150 nan 0.000 0.457 443 G N 0.403 108.732 108.800 -0.785 0.000 2.626 443 G HA2 0.516 4.475 3.960 -0.001 0.000 0.304 443 G HA3 0.516 4.475 3.960 -0.001 0.000 0.304 443 G C -0.909 173.437 174.900 -0.924 0.000 1.385 443 G CA -0.365 43.908 45.100 -1.379 0.000 0.957 443 G HN 0.766 nan 8.290 nan 0.000 0.504 444 V N 4.572 124.010 119.914 -0.792 0.000 2.352 444 V HA 0.096 4.215 4.120 -0.001 0.000 0.253 444 V C 1.386 176.966 176.094 -0.856 0.000 1.083 444 V CA -0.030 61.747 62.300 -0.873 0.000 0.993 444 V CB -0.157 31.014 31.823 -1.088 0.000 1.111 444 V HN 0.772 nan 8.190 nan 0.000 0.490 445 I N 1.057 121.108 120.570 -0.865 0.000 3.081 445 I HA 0.258 4.427 4.170 -0.001 0.000 0.274 445 I C 0.885 176.618 176.117 -0.639 0.000 1.178 445 I CA -0.038 60.770 61.300 -0.821 0.000 1.460 445 I CB -0.208 37.065 38.000 -1.211 0.000 1.137 445 I HN 0.516 nan 8.210 nan 0.000 0.443 446 N N 1.857 120.174 118.700 -0.639 0.000 2.698 446 N HA -0.126 4.613 4.740 -0.001 0.000 0.258 446 N C -2.142 173.240 175.510 -0.213 0.000 0.978 446 N CA 0.938 53.756 53.050 -0.387 0.000 0.777 446 N CB -1.456 36.781 38.487 -0.416 0.000 0.907 446 N HN 0.502 nan 8.380 nan 0.000 0.543 447 P HA 0.441 nan 4.420 nan 0.000 0.277 447 P C 0.639 177.972 177.300 0.056 0.000 1.276 447 P CA -0.017 63.125 63.100 0.069 0.000 0.788 447 P CB 1.058 32.913 31.700 0.260 0.000 1.114 448 G N -1.770 107.081 108.800 0.085 0.000 2.682 448 G HA2 0.396 4.355 3.960 -0.001 0.000 0.303 448 G HA3 0.396 4.355 3.960 -0.001 0.000 0.303 448 G C 0.451 175.299 174.900 -0.086 0.000 1.341 448 G CA 0.043 45.120 45.100 -0.037 0.000 0.784 448 G HN 0.450 nan 8.290 nan 0.000 0.497 449 T N -1.282 113.194 114.554 -0.129 0.000 3.163 449 T HA 0.095 4.444 4.350 -0.001 0.000 0.260 449 T C 0.332 174.942 174.700 -0.151 0.000 1.156 449 T CA 0.596 62.590 62.100 -0.178 0.000 1.072 449 T CB -0.285 68.500 68.868 -0.140 0.000 0.937 449 T HN 0.259 nan 8.240 nan 0.000 0.528 450 D N 1.866 122.221 120.400 -0.074 0.000 2.478 450 D HA 0.097 4.736 4.640 -0.001 0.000 0.234 450 D C 1.267 177.514 176.300 -0.089 0.000 1.154 450 D CA -0.116 53.865 54.000 -0.033 0.000 0.874 450 D CB 0.567 41.396 40.800 0.048 0.000 1.198 450 D HN 0.057 nan 8.370 nan 0.000 0.455 451 R N 2.175 122.649 120.500 -0.044 0.000 2.105 451 R HA -0.162 4.177 4.340 -0.001 0.000 0.239 451 R C 1.011 177.332 176.300 0.035 0.000 1.135 451 R CA 1.531 57.613 56.100 -0.030 0.000 0.967 451 R CB -0.313 29.991 30.300 0.007 0.000 0.861 451 R HN 0.514 nan 8.270 nan 0.000 0.442 452 N N -1.353 117.411 118.700 0.106 0.000 2.268 452 N HA -0.042 4.697 4.740 -0.001 0.000 0.204 452 N C -0.186 175.580 175.510 0.427 0.000 1.124 452 N CA 0.523 53.723 53.050 0.250 0.000 0.838 452 N CB -0.366 38.245 38.487 0.206 0.000 0.994 452 N HN 0.389 nan 8.380 nan 0.000 0.489 453 W N -0.959 120.405 121.300 0.107 0.000 1.135 453 W HA -0.331 4.330 4.660 0.002 0.000 0.224 453 W C 1.432 178.069 176.519 0.197 0.000 0.934 453 W CA 2.039 59.475 57.345 0.151 0.000 0.370 453 W CB -1.946 27.614 29.460 0.168 0.000 1.931 453 W HN 0.461 nan 8.180 nan 0.000 1.394 454 T N -4.083 110.728 114.554 0.427 0.000 3.043 454 T HA 0.588 4.937 4.350 -0.001 0.000 0.272 454 T C 1.537 176.416 174.700 0.298 0.000 0.990 454 T CA 1.217 63.532 62.100 0.359 0.000 0.897 454 T CB 0.529 69.638 68.868 0.402 0.000 1.111 454 T HN 1.363 nan 8.240 nan 0.000 0.529 455 G N 1.950 110.907 108.800 0.263 0.000 5.347 455 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.299 455 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.299 455 G C -0.024 175.034 174.900 0.263 0.000 1.492 455 G CA 0.155 45.400 45.100 0.242 0.000 0.991 455 G HN 0.963 nan 8.290 nan 0.000 0.749 456 H N 3.786 122.992 119.070 0.227 0.000 2.690 456 H HA 0.469 5.024 4.556 -0.001 0.000 0.314 456 H C -1.012 174.477 175.328 0.270 0.000 1.069 456 H CA -1.098 55.091 56.048 0.235 0.000 1.436 456 H CB 1.702 31.603 29.762 0.231 0.000 1.462 456 H HN 0.136 nan 8.280 nan 0.000 0.511 457 P HA -0.206 nan 4.420 nan 0.000 0.216 457 P C 0.625 178.210 177.300 0.475 0.000 1.150 457 P CA 1.282 64.630 63.100 0.413 0.000 0.843 457 P CB 0.082 32.002 31.700 0.367 0.000 0.787 458 F N -1.548 118.753 119.950 0.585 0.000 2.661 458 F HA -0.066 4.460 4.527 -0.002 0.000 0.298 458 F C 2.104 177.917 175.800 0.023 0.000 1.137 458 F CA 0.573 58.713 58.000 0.234 0.000 1.454 458 F CB -1.061 37.982 39.000 0.073 0.000 1.103 458 F HN -0.265 nan 8.300 nan 0.000 0.577 459 V N -0.332 119.733 119.914 0.252 0.000 2.594 459 V HA -0.301 3.819 4.120 -0.001 0.000 0.253 459 V C 2.108 178.325 176.094 0.204 0.000 1.069 459 V CA 1.626 64.029 62.300 0.171 0.000 1.082 459 V CB -0.724 31.227 31.823 0.214 0.000 0.680 459 V HN 0.372 nan 8.190 nan 0.000 0.469 460 Q N 0.542 120.497 119.800 0.259 0.000 2.135 460 Q HA -0.214 4.125 4.340 -0.001 0.000 0.204 460 Q C 2.469 178.486 176.000 0.028 0.000 0.981 460 Q CA 2.017 58.036 55.803 0.359 0.000 0.856 460 Q CB -0.362 28.687 28.738 0.519 0.000 0.902 460 Q HN 0.821 nan 8.270 nan 0.000 0.425 461 S N -0.318 114.955 115.700 -0.712 0.000 2.402 461 S HA -0.095 4.374 4.470 -0.001 0.000 0.229 461 S C 2.030 176.474 174.600 -0.261 0.000 1.021 461 S CA 1.239 58.617 58.200 -1.369 0.000 0.974 461 S CB -0.152 61.848 63.200 -2.001 0.000 0.800 461 S HN 0.160 nan 8.310 nan 0.000 0.484 462 S N 0.559 116.250 115.700 -0.015 0.000 2.371 462 S HA -0.019 4.450 4.470 -0.001 0.000 0.224 462 S C 1.275 176.044 174.600 0.282 0.000 1.029 462 S CA 0.849 59.107 58.200 0.096 0.000 0.978 462 S CB -0.573 62.617 63.200 -0.016 0.000 0.833 462 S HN 0.784 nan 8.310 nan 0.000 0.466 463 W N 1.857 123.200 121.300 0.071 0.000 2.358 463 W HA -0.164 4.494 4.660 -0.002 0.000 0.303 463 W C 1.997 178.557 176.519 0.068 0.000 1.208 463 W CA 0.888 58.306 57.345 0.122 0.000 1.274 463 W CB -1.246 28.328 29.460 0.190 0.000 1.138 463 W HN 0.389 nan 8.180 nan 0.000 0.515 464 Y N 1.190 121.448 120.300 -0.070 0.000 2.097 464 Y HA -0.217 4.332 4.550 -0.002 0.000 0.282 464 Y C 2.619 178.382 175.900 -0.229 0.000 1.152 464 Y CA 3.496 61.260 58.100 -0.560 0.000 1.136 464 Y CB -1.012 36.954 38.460 -0.823 0.000 0.975 464 Y HN -0.065 nan 8.280 nan 0.000 0.498 465 A N -0.036 122.807 122.820 0.039 0.000 1.908 465 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 465 A C 2.195 179.786 177.584 0.012 0.000 1.181 465 A CA 1.673 53.744 52.037 0.056 0.000 0.627 465 A CB -1.634 17.472 19.000 0.177 0.000 0.818 465 A HN 0.682 nan 8.150 nan 0.000 0.445 466 F N 1.250 121.211 119.950 0.017 0.000 2.091 466 F HA -0.104 4.422 4.527 -0.001 0.000 0.299 466 F C 2.263 177.982 175.800 -0.136 0.000 1.103 466 F CA 1.833 59.742 58.000 -0.151 0.000 1.228 466 F CB -0.793 38.087 39.000 -0.199 0.000 0.984 466 F HN 0.179 nan 8.300 nan 0.000 0.477 467 G N 0.505 109.151 108.800 -0.256 0.000 2.402 467 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 467 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 467 G C 1.782 176.434 174.900 -0.413 0.000 1.162 467 G CA 0.495 45.377 45.100 -0.364 0.000 0.777 467 G HN 0.203 nan 8.290 nan 0.000 0.539 468 R N 0.035 120.251 120.500 -0.475 0.000 2.083 468 R HA 0.056 4.395 4.340 -0.001 0.000 0.237 468 R C 2.606 178.777 176.300 -0.215 0.000 1.137 468 R CA 1.121 56.985 56.100 -0.393 0.000 0.951 468 R CB -0.795 29.231 30.300 -0.457 0.000 0.851 468 R HN 0.415 nan 8.270 nan 0.000 0.434 469 M N -0.075 119.382 119.600 -0.238 0.000 2.319 469 M HA -0.010 4.469 4.480 -0.001 0.000 0.265 469 M C 2.297 178.484 176.300 -0.188 0.000 1.068 469 M CA 1.351 56.555 55.300 -0.161 0.000 1.118 469 M CB -0.229 32.300 32.600 -0.119 0.000 1.395 469 M HN 0.128 nan 8.290 nan 0.000 0.435 470 A N -0.013 122.582 122.820 -0.374 0.000 1.969 470 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 470 A C 2.006 179.499 177.584 -0.151 0.000 1.169 470 A CA 0.958 52.788 52.037 -0.345 0.000 0.635 470 A CB -0.940 17.712 19.000 -0.579 0.000 0.810 470 A HN 0.781 nan 8.150 nan 0.000 0.445 471 W N 0.337 121.463 121.300 -0.291 0.000 2.407 471 W HA 0.018 4.677 4.660 -0.001 0.000 0.305 471 W C -0.730 175.672 176.519 -0.195 0.000 1.196 471 W CA 1.699 58.903 57.345 -0.235 0.000 1.311 471 W CB 0.135 29.437 29.460 -0.263 0.000 1.135 471 W HN 0.344 nan 8.180 nan 0.000 0.514 472 D N -0.919 119.500 120.400 0.031 0.000 2.386 472 D HA 0.034 4.673 4.640 -0.001 0.000 0.247 472 D C 1.092 177.306 176.300 -0.143 0.000 1.336 472 D CA -0.320 53.614 54.000 -0.111 0.000 0.976 472 D CB 0.188 40.982 40.800 -0.010 0.000 1.257 472 D HN 0.256 nan 8.370 nan 0.000 0.570 473 H N 1.930 120.949 119.070 -0.085 0.000 2.561 473 H HA 0.029 4.584 4.556 -0.001 0.000 0.278 473 H C 0.216 175.510 175.328 -0.056 0.000 1.014 473 H CA 0.464 56.465 56.048 -0.077 0.000 1.211 473 H CB 0.366 30.074 29.762 -0.090 0.000 1.365 473 H HN 0.428 nan 8.280 nan 0.000 0.594 474 Q N 0.792 120.454 119.800 -0.229 0.000 2.319 474 Q HA 0.260 4.599 4.340 -0.001 0.000 0.202 474 Q C 0.389 176.355 176.000 -0.058 0.000 0.896 474 Q CA -0.318 55.425 55.803 -0.101 0.000 0.942 474 Q CB 0.753 29.403 28.738 -0.147 0.000 1.083 474 Q HN 0.450 nan 8.270 nan 0.000 0.510 475 I N 2.272 122.807 120.570 -0.058 0.000 2.710 475 I HA -0.076 4.093 4.170 -0.001 0.000 0.286 475 I C 0.785 176.896 176.117 -0.009 0.000 1.181 475 I CA 0.017 61.298 61.300 -0.031 0.000 1.430 475 I CB 0.683 38.657 38.000 -0.043 0.000 1.367 475 I HN 0.107 nan 8.210 nan 0.000 0.577 476 S N 4.991 120.696 115.700 0.008 0.000 2.632 476 S HA 0.416 4.886 4.470 -0.001 0.000 0.271 476 S C 1.028 175.653 174.600 0.041 0.000 1.260 476 S CA -0.294 57.917 58.200 0.018 0.000 1.010 476 S CB 1.788 65.003 63.200 0.025 0.000 0.965 476 S HN 0.720 nan 8.310 nan 0.000 0.534 477 A N 1.913 124.750 122.820 0.029 0.000 1.978 477 A HA 0.123 4.442 4.320 -0.001 0.000 0.220 477 A C 2.324 180.030 177.584 0.204 0.000 1.170 477 A CA 1.783 53.870 52.037 0.084 0.000 0.636 477 A CB -1.583 17.390 19.000 -0.046 0.000 0.810 477 A HN 1.326 nan 8.150 nan 0.000 0.448 478 A N -1.160 121.733 122.820 0.122 0.000 1.898 478 A HA -0.046 4.273 4.320 -0.001 0.000 0.216 478 A C 2.309 179.954 177.584 0.102 0.000 1.181 478 A CA 2.179 54.281 52.037 0.108 0.000 0.620 478 A CB -1.206 17.835 19.000 0.069 0.000 0.819 478 A HN 0.409 nan 8.150 nan 0.000 0.442 479 T N 0.367 114.976 114.554 0.091 0.000 2.708 479 T HA -0.058 4.291 4.350 -0.001 0.000 0.266 479 T C 2.227 177.001 174.700 0.123 0.000 1.037 479 T CA 1.751 63.905 62.100 0.090 0.000 1.146 479 T CB -0.463 68.442 68.868 0.062 0.000 0.865 479 T HN 0.585 nan 8.240 nan 0.000 0.435 480 A N 1.263 124.174 122.820 0.151 0.000 1.933 480 A HA 0.187 4.506 4.320 -0.001 0.000 0.218 480 A C 2.614 180.337 177.584 0.232 0.000 1.175 480 A CA 1.790 53.974 52.037 0.245 0.000 0.628 480 A CB -1.015 18.127 19.000 0.235 0.000 0.814 480 A HN 0.506 nan 8.150 nan 0.000 0.444 481 A N -0.059 122.844 122.820 0.139 0.000 1.898 481 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 481 A C 1.804 179.443 177.584 0.093 0.000 1.181 481 A CA 2.054 54.080 52.037 -0.018 0.000 0.620 481 A CB -0.758 18.151 19.000 -0.153 0.000 0.819 481 A HN 0.592 nan 8.150 nan 0.000 0.442 482 D N -0.608 119.848 120.400 0.093 0.000 2.104 482 D HA -0.183 4.456 4.640 -0.001 0.000 0.194 482 D C 1.914 178.268 176.300 0.091 0.000 0.994 482 D CA 1.759 55.815 54.000 0.093 0.000 0.830 482 D CB -0.080 40.777 40.800 0.095 0.000 0.959 482 D HN 0.635 nan 8.370 nan 0.000 0.452 483 E N -0.737 119.519 120.200 0.093 0.000 2.031 483 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 483 E C 1.785 178.306 176.600 -0.130 0.000 0.994 483 E CA 1.001 57.425 56.400 0.040 0.000 0.800 483 E CB -0.313 29.457 29.700 0.117 0.000 0.752 483 E HN 0.501 nan 8.360 nan 0.000 0.447 484 W N 1.556 122.575 121.300 -0.467 0.000 2.358 484 W HA -0.140 4.519 4.660 -0.002 0.000 0.303 484 W C 1.764 178.124 176.519 -0.265 0.000 1.208 484 W CA 1.237 58.171 57.345 -0.685 0.000 1.274 484 W CB -0.218 28.786 29.460 -0.759 0.000 1.138 484 W HN -0.036 nan 8.180 nan 0.000 0.515 485 L N 0.342 121.563 121.223 -0.004 0.000 2.046 485 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 485 L C 2.721 179.598 176.870 0.013 0.000 1.077 485 L CA 1.669 56.543 54.840 0.057 0.000 0.747 485 L CB -0.808 41.415 42.059 0.272 0.000 0.896 485 L HN -0.066 nan 8.230 nan 0.000 0.432 486 R N -0.470 120.030 120.500 -0.000 0.000 2.081 486 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 486 R C 2.266 178.508 176.300 -0.096 0.000 1.131 486 R CA 1.509 57.607 56.100 -0.003 0.000 0.960 486 R CB -0.311 30.010 30.300 0.036 0.000 0.856 486 R HN 0.337 nan 8.270 nan 0.000 0.436 487 M N -0.747 118.737 119.600 -0.194 0.000 2.254 487 M HA -0.064 4.415 4.480 -0.001 0.000 0.265 487 M C 1.749 177.837 176.300 -0.354 0.000 1.066 487 M CA 1.441 56.610 55.300 -0.219 0.000 1.123 487 M CB 0.130 32.609 32.600 -0.201 0.000 1.388 487 M HN 0.070 nan 8.290 nan 0.000 0.425 488 T N -0.898 113.296 114.554 -0.601 0.000 3.010 488 T HA 0.132 4.482 4.350 -0.001 0.000 0.252 488 T C 0.954 175.163 174.700 -0.819 0.000 1.047 488 T CA 0.860 62.432 62.100 -0.880 0.000 1.140 488 T CB 0.147 68.042 68.868 -1.622 0.000 0.885 488 T HN 0.151 nan 8.240 nan 0.000 0.464 489 F N 0.266 120.013 119.950 -0.339 0.000 2.463 489 F HA 0.525 5.051 4.527 -0.002 0.000 0.271 489 F C 0.814 176.423 175.800 -0.318 0.000 0.888 489 F CA -0.345 57.490 58.000 -0.276 0.000 1.149 489 F CB 0.457 39.336 39.000 -0.202 0.000 1.071 489 F HN -0.040 nan 8.300 nan 0.000 0.802 490 S N -0.725 114.931 115.700 -0.074 0.000 2.558 490 S HA 0.267 4.737 4.470 -0.001 0.000 0.277 490 S C -0.762 173.835 174.600 -0.005 0.000 1.143 490 S CA -0.677 57.433 58.200 -0.151 0.000 0.865 490 S CB 0.714 63.608 63.200 -0.509 0.000 1.102 490 S HN 0.177 nan 8.310 nan 0.000 0.454 491 N N 1.760 120.455 118.700 -0.008 0.000 2.270 491 N HA 0.067 4.806 4.740 -0.001 0.000 0.198 491 N C -0.486 175.031 175.510 0.012 0.000 1.117 491 N CA -0.004 53.061 53.050 0.024 0.000 0.845 491 N CB 0.313 38.814 38.487 0.022 0.000 0.980 491 N HN 0.553 nan 8.380 nan 0.000 0.486 492 Q N 1.079 120.866 119.800 -0.021 0.000 2.271 492 Q HA 0.084 4.423 4.340 -0.001 0.000 0.273 492 Q C -1.473 174.489 176.000 -0.064 0.000 1.051 492 Q CA -1.193 54.571 55.803 -0.065 0.000 0.901 492 Q CB 1.016 29.651 28.738 -0.172 0.000 1.174 492 Q HN 0.136 nan 8.270 nan 0.000 0.385 493 P HA -0.163 nan 4.420 nan 0.000 0.216 493 P C 0.773 178.026 177.300 -0.078 0.000 1.150 493 P CA 1.546 64.621 63.100 -0.042 0.000 0.837 493 P CB 0.244 31.928 31.700 -0.027 0.000 0.786 494 A N -1.813 120.933 122.820 -0.124 0.000 2.067 494 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 494 A C 1.975 179.425 177.584 -0.223 0.000 1.158 494 A CA 0.949 52.907 52.037 -0.132 0.000 0.661 494 A CB -1.584 17.386 19.000 -0.051 0.000 0.801 494 A HN 0.196 nan 8.150 nan 0.000 0.452 495 F N 0.196 119.808 119.950 -0.564 0.000 2.179 495 F HA 0.067 4.593 4.527 -0.001 0.000 0.292 495 F C 1.825 177.513 175.800 -0.187 0.000 1.089 495 F CA 1.120 58.831 58.000 -0.483 0.000 1.295 495 F CB -0.155 38.454 39.000 -0.652 0.000 1.041 495 F HN 0.129 nan 8.300 nan 0.000 0.487 496 I N 0.501 120.999 120.570 -0.119 0.000 2.179 496 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 496 I C 2.389 178.401 176.117 -0.174 0.000 1.088 496 I CA 1.788 63.005 61.300 -0.139 0.000 1.357 496 I CB -0.513 37.501 38.000 0.022 0.000 1.051 496 I HN 0.209 nan 8.210 nan 0.000 0.409 497 E N 1.482 121.610 120.200 -0.120 0.000 2.017 497 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 497 E C -0.575 175.966 176.600 -0.099 0.000 0.997 497 E CA 1.764 58.115 56.400 -0.081 0.000 0.804 497 E CB -1.167 28.504 29.700 -0.049 0.000 0.757 497 E HN 0.285 nan 8.360 nan 0.000 0.448 498 P HA -0.092 nan 4.420 nan 0.000 0.217 498 P C 1.423 178.652 177.300 -0.118 0.000 1.151 498 P CA 1.033 64.077 63.100 -0.094 0.000 0.828 498 P CB 0.054 31.710 31.700 -0.073 0.000 0.788 499 V N 0.928 120.691 119.914 -0.252 0.000 2.548 499 V HA -0.168 3.952 4.120 -0.001 0.000 0.249 499 V C 2.827 178.872 176.094 -0.081 0.000 1.055 499 V CA 1.712 63.890 62.300 -0.203 0.000 1.065 499 V CB -1.163 30.348 31.823 -0.520 0.000 0.681 499 V HN 0.137 nan 8.190 nan 0.000 0.462 500 K N -0.168 120.176 120.400 -0.094 0.000 2.026 500 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 500 K C 2.296 178.891 176.600 -0.009 0.000 1.048 500 K CA 1.474 57.744 56.287 -0.028 0.000 0.929 500 K CB -0.078 32.411 32.500 -0.019 0.000 0.713 500 K HN 0.336 nan 8.250 nan 0.000 0.439 501 Q N 0.314 120.103 119.800 -0.018 0.000 2.119 501 Q HA -0.172 4.167 4.340 -0.001 0.000 0.201 501 Q C 2.003 178.002 176.000 -0.001 0.000 0.972 501 Q CA 1.455 57.257 55.803 -0.002 0.000 0.847 501 Q CB -0.263 28.472 28.738 -0.006 0.000 0.903 501 Q HN 0.492 nan 8.270 nan 0.000 0.433 502 M N -0.303 119.289 119.600 -0.012 0.000 2.086 502 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 502 M C 2.044 178.326 176.300 -0.031 0.000 1.067 502 M CA 1.405 56.692 55.300 -0.021 0.000 1.116 502 M CB -0.025 32.561 32.600 -0.023 0.000 1.348 502 M HN 0.172 nan 8.290 nan 0.000 0.407 503 M N 0.235 119.826 119.600 -0.016 0.000 2.080 503 M HA -0.250 4.230 4.480 -0.001 0.000 0.260 503 M C 2.017 178.391 176.300 0.123 0.000 1.068 503 M CA 1.690 56.999 55.300 0.015 0.000 1.109 503 M CB -0.589 31.957 32.600 -0.090 0.000 1.342 503 M HN 0.341 nan 8.290 nan 0.000 0.405 504 L N -0.993 120.294 121.223 0.106 0.000 2.201 504 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 504 L C 2.310 179.196 176.870 0.027 0.000 1.105 504 L CA 0.443 55.346 54.840 0.104 0.000 0.775 504 L CB -0.481 41.623 42.059 0.075 0.000 0.913 504 L HN 0.184 nan 8.230 nan 0.000 0.440 505 V N -0.876 119.044 119.914 0.010 0.000 3.406 505 V HA -0.109 4.011 4.120 -0.001 0.000 0.263 505 V C 2.427 178.508 176.094 -0.023 0.000 1.172 505 V CA 1.253 63.547 62.300 -0.008 0.000 1.140 505 V CB 0.243 32.065 31.823 -0.002 0.000 0.784 505 V HN 0.604 nan 8.190 nan 0.000 0.467 506 S N 0.466 116.149 115.700 -0.028 0.000 2.382 506 S HA -0.231 4.238 4.470 -0.001 0.000 0.228 506 S C 2.178 176.741 174.600 -0.061 0.000 1.027 506 S CA 1.202 59.376 58.200 -0.042 0.000 0.991 506 S CB -0.604 62.553 63.200 -0.071 0.000 0.823 506 S HN 0.569 nan 8.310 nan 0.000 0.469 507 R N 1.658 122.084 120.500 -0.123 0.000 2.073 507 R HA -0.076 4.263 4.340 -0.001 0.000 0.234 507 R C 2.195 178.481 176.300 -0.024 0.000 1.134 507 R CA 2.163 58.174 56.100 -0.147 0.000 0.952 507 R CB -0.932 29.195 30.300 -0.289 0.000 0.850 507 R HN 0.525 nan 8.270 nan 0.000 0.433 508 E N 0.179 120.345 120.200 -0.056 0.000 2.110 508 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 508 E C 1.766 178.310 176.600 -0.093 0.000 0.988 508 E CA 1.498 57.862 56.400 -0.060 0.000 0.804 508 E CB -0.252 29.421 29.700 -0.046 0.000 0.745 508 E HN 0.417 nan 8.360 nan 0.000 0.458 509 A N 0.066 122.847 122.820 -0.065 0.000 1.908 509 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 509 A C 2.454 179.852 177.584 -0.310 0.000 1.181 509 A CA 1.852 53.858 52.037 -0.050 0.000 0.627 509 A CB -1.325 17.722 19.000 0.077 0.000 0.818 509 A HN 0.406 nan 8.150 nan 0.000 0.445 510 G N -0.913 107.675 108.800 -0.353 0.000 2.443 510 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.219 510 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.219 510 G C 1.447 175.886 174.900 -0.768 0.000 1.131 510 G CA 1.127 45.785 45.100 -0.737 0.000 0.775 510 G HN 0.322 nan 8.290 nan 0.000 0.547 511 V N 1.135 120.802 119.914 -0.412 0.000 2.307 511 V HA -0.195 3.925 4.120 -0.001 0.000 0.245 511 V C 2.519 178.340 176.094 -0.454 0.000 1.045 511 V CA 2.103 64.174 62.300 -0.381 0.000 1.024 511 V CB -0.706 31.001 31.823 -0.193 0.000 0.651 511 V HN 0.435 nan 8.190 nan 0.000 0.449 512 N N -0.179 118.291 118.700 -0.383 0.000 2.120 512 N HA -0.209 4.531 4.740 -0.001 0.000 0.188 512 N C 1.800 177.075 175.510 -0.391 0.000 1.024 512 N CA 1.775 54.617 53.050 -0.346 0.000 0.852 512 N CB -0.257 38.120 38.487 -0.184 0.000 1.003 512 N HN 0.800 nan 8.380 nan 0.000 0.424 513 Y N -0.212 119.923 120.300 -0.275 0.000 2.529 513 Y HA 0.293 4.842 4.550 -0.001 0.000 0.290 513 Y C 1.653 177.490 175.900 -0.105 0.000 1.177 513 Y CA -0.066 57.954 58.100 -0.134 0.000 1.305 513 Y CB -0.085 38.327 38.460 -0.081 0.000 1.047 513 Y HN -0.088 nan 8.280 nan 0.000 0.522 514 R N 0.579 120.803 120.500 -0.460 0.000 2.119 514 R HA 0.270 4.609 4.340 -0.001 0.000 0.202 514 R C -0.178 176.030 176.300 -0.154 0.000 1.114 514 R CA 0.984 56.782 56.100 -0.505 0.000 1.089 514 R CB 0.315 29.908 30.300 -1.178 0.000 1.000 514 R HN 0.303 nan 8.270 nan 0.000 0.487 515 S N 0.575 116.053 115.700 -0.369 0.000 2.769 515 S HA 0.248 4.717 4.470 -0.001 0.000 0.150 515 S C -2.840 171.576 174.600 -0.307 0.000 1.034 515 S CA -1.219 56.840 58.200 -0.235 0.000 1.096 515 S CB 1.584 64.681 63.200 -0.171 0.000 1.567 515 S HN -0.056 nan 8.310 nan 0.000 0.435 516 P HA 0.525 nan 4.420 nan 0.000 0.282 516 P C 0.636 177.813 177.300 -0.205 0.000 1.287 516 P CA -0.424 62.497 63.100 -0.298 0.000 0.792 516 P CB 0.435 31.919 31.700 -0.359 0.000 1.163 517 L N -2.231 118.909 121.223 -0.139 0.000 4.496 517 L HA -0.290 4.049 4.340 -0.001 0.000 0.419 517 L C 1.154 177.948 176.870 -0.126 0.000 1.139 517 L CA 0.667 55.446 54.840 -0.101 0.000 0.975 517 L CB -2.576 39.428 42.059 -0.092 0.000 2.099 517 L HN 0.866 nan 8.230 nan 0.000 0.818 518 G N -1.098 107.611 108.800 -0.153 0.000 2.176 518 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.232 518 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.232 518 G C 0.279 174.775 174.900 -0.674 0.000 0.986 518 G CA 0.210 45.111 45.100 -0.332 0.000 0.643 518 G HN 0.256 nan 8.290 nan 0.000 0.522 519 L N 0.288 121.278 121.223 -0.390 0.000 2.482 519 L HA 0.610 4.950 4.340 -0.001 0.000 0.273 519 L C 0.930 177.562 176.870 -0.396 0.000 1.228 519 L CA 1.005 55.654 54.840 -0.319 0.000 0.827 519 L CB 1.132 43.117 42.059 -0.122 0.000 1.099 519 L HN 0.271 nan 8.230 nan 0.000 0.494 520 T N -0.800 113.575 114.554 -0.297 0.000 2.827 520 T HA 0.190 4.539 4.350 -0.001 0.000 0.328 520 T C -0.433 174.207 174.700 -0.101 0.000 1.598 520 T CA -0.441 61.487 62.100 -0.288 0.000 1.043 520 T CB 0.537 69.038 68.868 -0.611 0.000 1.447 520 T HN 0.783 nan 8.240 nan 0.000 0.491 521 H N 1.930 120.871 119.070 -0.215 0.000 2.770 521 H HA -0.101 4.455 4.556 -0.001 0.000 0.309 521 H C 0.087 175.425 175.328 0.017 0.000 1.206 521 H CA 1.005 56.954 56.048 -0.165 0.000 1.147 521 H CB -1.075 28.291 29.762 -0.661 0.000 1.422 521 H HN 0.483 nan 8.280 nan 0.000 0.420 522 L N 0.381 121.599 121.223 -0.009 0.000 2.700 522 L HA 0.125 4.464 4.340 -0.001 0.000 0.234 522 L C 0.622 177.364 176.870 -0.212 0.000 1.156 522 L CA -0.067 54.743 54.840 -0.051 0.000 0.946 522 L CB -0.071 42.000 42.059 0.019 0.000 1.216 522 L HN 0.099 nan 8.230 nan 0.000 0.493 523 Y N 0.198 120.480 120.300 -0.029 0.000 2.326 523 Y HA 0.052 4.601 4.550 -0.001 0.000 0.333 523 Y C 1.357 177.205 175.900 -0.087 0.000 1.240 523 Y CA 0.056 58.160 58.100 0.007 0.000 1.365 523 Y CB 0.608 39.144 38.460 0.127 0.000 1.289 523 Y HN -0.121 nan 8.280 nan 0.000 0.548 524 S N 2.646 118.371 115.700 0.042 0.000 2.546 524 S HA 0.006 4.476 4.470 -0.001 0.000 0.290 524 S C -0.450 174.242 174.600 0.155 0.000 1.290 524 S CA -0.730 57.484 58.200 0.025 0.000 1.069 524 S CB -0.016 63.181 63.200 -0.003 0.000 0.846 524 S HN 0.462 nan 8.310 nan 0.000 0.495 525 Q N 3.105 122.971 119.800 0.110 0.000 2.274 525 Q HA 0.400 4.739 4.340 -0.001 0.000 0.260 525 Q C 0.833 176.841 176.000 0.012 0.000 0.974 525 Q CA -0.279 55.582 55.803 0.097 0.000 0.876 525 Q CB 1.670 30.511 28.738 0.172 0.000 1.297 525 Q HN 0.882 nan 8.270 nan 0.000 0.446 526 G N 1.258 110.011 108.800 -0.078 0.000 3.284 526 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.236 526 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.236 526 G C 0.677 175.027 174.900 -0.916 0.000 1.158 526 G CA 0.029 44.945 45.100 -0.306 0.000 0.774 526 G HN 0.684 nan 8.290 nan 0.000 0.545 527 D N 0.145 119.995 120.400 -0.917 0.000 2.183 527 D HA -0.150 4.490 4.640 -0.001 0.000 0.203 527 D C 0.598 176.794 176.300 -0.174 0.000 0.969 527 D CA 0.752 54.216 54.000 -0.894 0.000 0.842 527 D CB -0.373 40.109 40.800 -0.531 0.000 0.957 527 D HN 0.302 nan 8.370 nan 0.000 0.484 528 H N -1.837 117.272 119.070 0.065 0.000 3.237 528 H HA -0.217 4.339 4.556 -0.001 0.000 0.231 528 H C 0.543 176.042 175.328 0.286 0.000 1.148 528 H CA 0.829 56.976 56.048 0.164 0.000 1.155 528 H CB -2.573 27.108 29.762 -0.134 0.000 1.210 528 H HN 0.385 nan 8.280 nan 0.000 0.317 529 Y N 0.923 121.255 120.300 0.053 0.000 2.176 529 Y HA 0.290 4.840 4.550 0.000 0.000 0.291 529 Y C 1.817 177.732 175.900 0.025 0.000 1.122 529 Y CA 1.584 59.444 58.100 -0.401 0.000 1.128 529 Y CB 0.136 38.194 38.460 -0.671 0.000 1.005 529 Y HN 0.308 nan 8.280 nan 0.000 0.509 530 G N -0.338 108.426 108.800 -0.060 0.000 2.820 530 G HA2 0.468 4.427 3.960 -0.001 0.000 0.291 530 G HA3 0.468 4.427 3.960 -0.001 0.000 0.291 530 G C -2.860 171.466 174.900 -0.957 0.000 1.323 530 G CA -1.778 43.021 45.100 -0.502 0.000 1.055 530 G HN -0.049 nan 8.290 nan 0.000 0.520 531 P HA 0.391 nan 4.420 nan 0.000 0.275 531 P C -0.653 176.036 177.300 -1.018 0.000 1.227 531 P CA -0.019 62.084 63.100 -1.662 0.000 0.781 531 P CB 1.779 32.620 31.700 -1.432 0.000 0.906 532 A N 4.319 126.499 122.820 -1.068 0.000 3.464 532 A HA 0.327 4.646 4.320 -0.001 0.000 0.243 532 A C -1.860 174.860 177.584 -1.440 0.000 1.100 532 A CA -0.642 50.476 52.037 -1.531 0.000 0.957 532 A CB 0.333 18.879 19.000 -0.757 0.000 1.340 532 A HN 0.298 nan 8.150 nan 0.000 0.645 533 P HA -0.117 nan 4.420 nan 0.000 0.226 533 P C 0.927 177.641 177.300 -0.976 0.000 1.153 533 P CA 0.908 63.462 63.100 -0.911 0.000 0.777 533 P CB -0.302 30.854 31.700 -0.907 0.000 0.794 534 W N -0.285 120.501 121.300 -0.857 0.000 3.047 534 W HA 0.224 4.883 4.660 -0.002 0.000 0.250 534 W C 0.049 176.500 176.519 -0.113 0.000 1.314 534 W CA -0.259 56.743 57.345 -0.571 0.000 1.540 534 W CB -2.123 27.128 29.460 -0.347 0.000 1.127 534 W HN -0.311 nan 8.180 nan 0.000 0.679 535 T N 3.039 117.511 114.554 -0.136 0.000 2.831 535 T HA 0.038 4.388 4.350 -0.001 0.000 0.291 535 T C -0.240 174.563 174.700 0.172 0.000 0.981 535 T CA 0.790 62.945 62.100 0.093 0.000 1.174 535 T CB 0.297 69.187 68.868 0.036 0.000 0.929 535 T HN 0.147 nan 8.240 nan 0.000 0.532 536 D N 0.762 121.285 120.400 0.205 0.000 2.812 536 D HA 0.197 4.837 4.640 -0.001 0.000 0.318 536 D C -1.040 175.361 176.300 0.169 0.000 1.234 536 D CA -0.472 53.638 54.000 0.184 0.000 0.989 536 D CB 1.302 42.206 40.800 0.174 0.000 1.442 536 D HN 0.431 nan 8.370 nan 0.000 0.537 537 D N 0.332 120.816 120.400 0.139 0.000 2.803 537 D HA -0.181 4.458 4.640 -0.001 0.000 0.233 537 D C -0.293 176.087 176.300 0.134 0.000 1.182 537 D CA 0.726 54.797 54.000 0.117 0.000 0.726 537 D CB -1.076 39.788 40.800 0.106 0.000 0.987 537 D HN 0.244 nan 8.370 nan 0.000 0.412 538 L N -0.295 121.017 121.223 0.149 0.000 2.304 538 L HA 0.337 4.676 4.340 -0.001 0.000 0.268 538 L C -1.007 175.915 176.870 0.086 0.000 1.010 538 L CA -2.053 52.901 54.840 0.190 0.000 0.813 538 L CB 1.083 43.345 42.059 0.338 0.000 1.315 538 L HN -0.230 nan 8.230 nan 0.000 0.445 539 P HA -0.083 nan 4.420 nan 0.000 0.222 539 P C -0.699 176.463 177.300 -0.231 0.000 1.147 539 P CA 1.065 64.117 63.100 -0.079 0.000 0.790 539 P CB 0.096 31.755 31.700 -0.069 0.000 0.780 540 R N -1.529 118.740 120.500 -0.386 0.000 2.513 540 R HA 0.737 5.076 4.340 -0.001 0.000 0.301 540 R C 0.680 176.839 176.300 -0.235 0.000 0.968 540 R CA -0.542 55.290 56.100 -0.447 0.000 0.872 540 R CB 1.260 31.052 30.300 -0.846 0.000 1.177 540 R HN -0.263 nan 8.270 nan 0.000 0.444 541 A N 2.521 125.251 122.820 -0.151 0.000 1.978 541 A HA -0.247 4.072 4.320 -0.001 0.000 0.220 541 A C 1.323 178.717 177.584 -0.318 0.000 1.170 541 A CA 1.883 53.876 52.037 -0.074 0.000 0.636 541 A CB -0.593 18.440 19.000 0.055 0.000 0.810 541 A HN 0.941 nan 8.150 nan 0.000 0.448 542 D N -2.393 117.666 120.400 -0.568 0.000 2.363 542 D HA -0.113 4.526 4.640 -0.001 0.000 0.226 542 D C 0.918 177.201 176.300 -0.027 0.000 1.020 542 D CA 0.154 53.643 54.000 -0.851 0.000 0.892 542 D CB -0.399 40.020 40.800 -0.634 0.000 0.900 542 D HN 0.597 nan 8.370 nan 0.000 0.531 543 W N 1.670 122.962 121.300 -0.012 0.000 3.278 543 W HA 0.214 4.874 4.660 -0.001 0.000 0.308 543 W C 0.733 177.470 176.519 0.364 0.000 1.253 543 W CA -0.334 57.159 57.345 0.247 0.000 1.759 543 W CB -0.728 28.875 29.460 0.238 0.000 1.093 543 W HN -0.058 nan 8.180 nan 0.000 0.648 544 T N -2.888 111.931 114.554 0.441 0.000 2.824 544 T HA 0.640 4.989 4.350 -0.001 0.000 0.277 544 T C 1.262 176.265 174.700 0.505 0.000 0.975 544 T CA 0.084 62.423 62.100 0.398 0.000 0.966 544 T CB 2.105 71.129 68.868 0.260 0.000 1.054 544 T HN -0.095 nan 8.240 nan 0.000 0.533 545 A N 0.437 123.480 122.820 0.372 0.000 1.911 545 A HA 0.187 4.506 4.320 -0.001 0.000 0.212 545 A C 2.468 180.146 177.584 0.158 0.000 1.189 545 A CA 1.095 53.357 52.037 0.375 0.000 0.639 545 A CB -1.205 17.914 19.000 0.197 0.000 0.839 545 A HN 1.266 nan 8.150 nan 0.000 0.449 546 V N -2.579 117.329 119.914 -0.010 0.000 2.469 546 V HA -0.294 3.825 4.120 -0.001 0.000 0.251 546 V C 2.280 178.264 176.094 -0.182 0.000 1.064 546 V CA 2.174 64.270 62.300 -0.339 0.000 1.066 546 V CB -1.538 30.287 31.823 0.004 0.000 0.667 546 V HN 0.552 nan 8.190 nan 0.000 0.461 547 Y N 1.086 121.310 120.300 -0.126 0.000 2.207 547 Y HA -0.234 4.315 4.550 -0.001 0.000 0.287 547 Y C 2.205 177.985 175.900 -0.200 0.000 1.156 547 Y CA 2.106 60.086 58.100 -0.199 0.000 1.182 547 Y CB -0.383 37.889 38.460 -0.313 0.000 0.979 547 Y HN 0.346 nan 8.280 nan 0.000 0.521 548 Y N -1.382 119.059 120.300 0.235 0.000 2.347 548 Y HA -0.047 4.502 4.550 -0.001 0.000 0.294 548 Y C 2.515 178.528 175.900 0.188 0.000 1.117 548 Y CA 1.435 59.662 58.100 0.211 0.000 1.184 548 Y CB -0.563 37.961 38.460 0.106 0.000 1.047 548 Y HN 0.402 nan 8.280 nan 0.000 0.546 549 H N -1.544 117.727 119.070 0.335 0.000 2.465 549 H HA 0.249 4.804 4.556 -0.001 0.000 0.289 549 H C 0.695 176.151 175.328 0.214 0.000 1.022 549 H CA 0.225 56.427 56.048 0.256 0.000 1.340 549 H CB -0.318 29.666 29.762 0.370 0.000 1.437 549 H HN -0.053 nan 8.280 nan 0.000 0.539 550 R N -0.030 120.573 120.500 0.172 0.000 3.627 550 R HA -0.157 4.182 4.340 -0.001 0.000 0.281 550 R C -0.271 176.253 176.300 0.373 0.000 1.140 550 R CA 0.282 56.474 56.100 0.155 0.000 0.761 550 R CB -2.088 28.184 30.300 -0.047 0.000 1.181 550 R HN 0.615 nan 8.270 nan 0.000 0.472 551 A N 1.230 124.472 122.820 0.704 0.000 2.462 551 A HA 0.465 4.784 4.320 -0.001 0.000 0.243 551 A C 0.814 178.643 177.584 0.408 0.000 1.076 551 A CA 0.617 52.970 52.037 0.527 0.000 0.773 551 A CB 0.531 19.921 19.000 0.650 0.000 1.010 551 A HN 0.513 nan 8.150 nan 0.000 0.493 552 S N 0.789 116.702 115.700 0.355 0.000 2.705 552 S HA 0.521 4.990 4.470 -0.001 0.000 0.280 552 S C 0.517 175.326 174.600 0.349 0.000 1.174 552 S CA -0.211 58.156 58.200 0.278 0.000 0.823 552 S CB 1.159 64.478 63.200 0.199 0.000 1.162 552 S HN 0.617 nan 8.310 nan 0.000 0.487 553 K N 0.602 121.136 120.400 0.224 0.000 2.209 553 K HA -0.032 4.287 4.320 -0.001 0.000 0.204 553 K C 1.830 178.614 176.600 0.307 0.000 1.048 553 K CA 2.486 58.891 56.287 0.197 0.000 0.940 553 K CB -0.934 31.618 32.500 0.087 0.000 0.729 553 K HN 0.799 nan 8.250 nan 0.000 0.451 554 T N -4.105 110.601 114.554 0.254 0.000 3.044 554 T HA 0.345 4.694 4.350 -0.001 0.000 0.255 554 T C 0.918 175.631 174.700 0.022 0.000 1.073 554 T CA 0.207 62.426 62.100 0.197 0.000 1.125 554 T CB 0.440 69.379 68.868 0.117 0.000 0.908 554 T HN 0.207 nan 8.240 nan 0.000 0.480 555 G N 0.112 108.768 108.800 -0.241 0.000 2.490 555 G HA2 0.599 4.558 3.960 -0.001 0.000 0.308 555 G HA3 0.599 4.558 3.960 -0.001 0.000 0.308 555 G C -2.257 172.050 174.900 -0.988 0.000 1.286 555 G CA -0.619 43.910 45.100 -0.952 0.000 0.825 555 G HN 0.467 nan 8.290 nan 0.000 0.479 556 I N -0.999 118.828 120.570 -1.238 0.000 2.984 556 I HA 0.669 4.839 4.170 -0.001 0.000 0.303 556 I C -0.046 175.730 176.117 -0.568 0.000 1.381 556 I CA 0.579 61.455 61.300 -0.707 0.000 0.988 556 I CB 2.188 39.715 38.000 -0.788 0.000 1.307 556 I HN 2.167 nan 8.210 nan 0.000 0.460 557 G N 3.589 112.330 108.800 -0.098 0.000 2.497 557 G HA2 0.048 4.007 3.960 -0.001 0.000 0.686 557 G HA3 0.048 4.007 3.960 -0.001 0.000 0.686 557 G C -2.018 173.013 174.900 0.218 0.000 1.288 557 G CA -0.648 44.458 45.100 0.010 0.000 0.899 557 G HN 0.671 nan 8.290 nan 0.000 0.608 558 F N 1.494 121.437 119.950 -0.013 0.000 2.460 558 F HA 0.620 5.146 4.527 -0.001 0.000 0.341 558 F C 0.102 175.868 175.800 -0.056 0.000 1.130 558 F CA -1.485 56.483 58.000 -0.052 0.000 0.962 558 F CB 1.730 40.670 39.000 -0.100 0.000 1.171 558 F HN 0.496 nan 8.300 nan 0.000 0.436 559 N N 5.217 123.960 118.700 0.073 0.000 2.399 559 N HA 0.142 4.882 4.740 -0.001 0.000 0.259 559 N C 0.197 175.794 175.510 0.145 0.000 1.160 559 N CA 0.299 53.383 53.050 0.056 0.000 0.946 559 N CB 0.301 38.757 38.487 -0.050 0.000 1.156 559 N HN 0.701 nan 8.380 nan 0.000 0.489 560 R N 1.076 121.650 120.500 0.123 0.000 2.577 560 R HA 0.084 4.423 4.340 -0.001 0.000 0.344 560 R C 0.492 176.794 176.300 0.003 0.000 1.037 560 R CA -0.188 55.965 56.100 0.088 0.000 1.102 560 R CB 0.225 30.549 30.300 0.041 0.000 1.313 560 R HN 0.596 nan 8.270 nan 0.000 0.561 561 T N -2.021 112.507 114.554 -0.044 0.000 2.771 561 T HA 0.156 4.506 4.350 -0.001 0.000 0.290 561 T C 1.224 175.913 174.700 -0.018 0.000 1.005 561 T CA -0.525 61.541 62.100 -0.056 0.000 0.944 561 T CB 1.197 70.026 68.868 -0.064 0.000 1.147 561 T HN -0.077 nan 8.240 nan 0.000 0.534 562 K N 0.109 120.502 120.400 -0.011 0.000 2.281 562 K HA -0.091 4.228 4.320 -0.001 0.000 0.203 562 K C 2.234 178.833 176.600 -0.002 0.000 1.046 562 K CA 1.739 58.025 56.287 -0.002 0.000 0.938 562 K CB -0.512 31.989 32.500 0.001 0.000 0.737 562 K HN 0.858 nan 8.250 nan 0.000 0.458 563 T N -3.057 111.494 114.554 -0.005 0.000 3.129 563 T HA 0.147 4.496 4.350 -0.001 0.000 0.251 563 T C 1.023 175.708 174.700 -0.025 0.000 1.117 563 T CA 0.155 62.249 62.100 -0.010 0.000 1.034 563 T CB 0.575 69.440 68.868 -0.005 0.000 0.968 563 T HN 0.181 nan 8.240 nan 0.000 0.526 564 G N 1.499 110.286 108.800 -0.021 0.000 3.407 564 G HA2 0.375 4.335 3.960 -0.001 0.000 0.187 564 G HA3 0.375 4.335 3.960 -0.001 0.000 0.187 564 G C 1.155 176.056 174.900 0.001 0.000 1.262 564 G CA 0.198 45.279 45.100 -0.032 0.000 0.808 564 G HN 0.329 nan 8.290 nan 0.000 0.687 565 S N -0.339 115.391 115.700 0.050 0.000 2.522 565 S HA -0.027 4.443 4.470 -0.001 0.000 0.227 565 S C 1.272 175.906 174.600 0.056 0.000 0.986 565 S CA 1.169 59.415 58.200 0.078 0.000 0.929 565 S CB -0.239 63.063 63.200 0.170 0.000 0.769 565 S HN 0.749 nan 8.310 nan 0.000 0.529 566 N N 0.696 119.417 118.700 0.035 0.000 2.725 566 N HA -0.211 4.528 4.740 -0.001 0.000 0.249 566 N C 0.682 176.206 175.510 0.024 0.000 1.103 566 N CA 0.784 53.845 53.050 0.020 0.000 0.707 566 N CB -1.638 36.860 38.487 0.017 0.000 1.043 566 N HN 0.643 nan 8.380 nan 0.000 0.553 567 A N -0.365 122.474 122.820 0.031 0.000 2.070 567 A HA -0.025 4.294 4.320 -0.001 0.000 0.220 567 A C 2.246 179.881 177.584 0.084 0.000 1.159 567 A CA 1.202 53.273 52.037 0.057 0.000 0.656 567 A CB -0.274 18.750 19.000 0.040 0.000 0.800 567 A HN 0.456 nan 8.150 nan 0.000 0.453 568 L N -0.984 120.270 121.223 0.051 0.000 2.191 568 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 568 L C 2.843 179.755 176.870 0.071 0.000 1.103 568 L CA 0.920 55.802 54.840 0.070 0.000 0.769 568 L CB -0.413 41.592 42.059 -0.091 0.000 0.908 568 L HN 0.457 nan 8.230 nan 0.000 0.438 569 A N -0.850 121.974 122.820 0.007 0.000 2.209 569 A HA -0.145 4.174 4.320 -0.001 0.000 0.212 569 A C 2.036 179.575 177.584 -0.076 0.000 1.158 569 A CA 0.743 52.773 52.037 -0.012 0.000 0.742 569 A CB -0.262 18.738 19.000 -0.000 0.000 0.790 569 A HN 0.493 nan 8.150 nan 0.000 0.472 570 Q N -1.585 118.080 119.800 -0.224 0.000 2.435 570 Q HA 0.033 4.372 4.340 -0.001 0.000 0.207 570 Q C -0.548 175.087 176.000 -0.608 0.000 0.956 570 Q CA 0.329 55.717 55.803 -0.692 0.000 0.917 570 Q CB 0.064 28.085 28.738 -1.195 0.000 0.997 570 Q HN 0.775 nan 8.270 nan 0.000 0.497 571 Y N 0.419 120.595 120.300 -0.206 0.000 2.403 571 Y HA 0.277 4.826 4.550 -0.001 0.000 0.323 571 Y C -1.899 173.979 175.900 -0.038 0.000 1.226 571 Y CA -2.981 55.048 58.100 -0.118 0.000 1.235 571 Y CB 0.243 38.568 38.460 -0.224 0.000 1.248 571 Y HN -0.067 nan 8.280 nan 0.000 0.489 572 P HA -0.071 nan 4.420 nan 0.000 0.268 572 P C 0.785 178.106 177.300 0.036 0.000 1.208 572 P CA 0.091 63.276 63.100 0.141 0.000 0.777 572 P CB 0.736 32.552 31.700 0.193 0.000 0.875 573 E N 3.405 123.609 120.200 0.008 0.000 2.070 573 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 573 E C -0.915 175.613 176.600 -0.120 0.000 1.004 573 E CA 2.281 58.655 56.400 -0.044 0.000 0.805 573 E CB -1.710 27.972 29.700 -0.030 0.000 0.744 573 E HN 0.344 nan 8.360 nan 0.000 0.451 574 P HA -0.104 nan 4.420 nan 0.000 0.218 574 P C 1.569 178.654 177.300 -0.357 0.000 1.149 574 P CA 0.876 63.781 63.100 -0.325 0.000 0.817 574 P CB -0.025 31.294 31.700 -0.635 0.000 0.785 575 I N -0.355 120.012 120.570 -0.338 0.000 2.233 575 I HA -0.122 4.048 4.170 -0.001 0.000 0.243 575 I C 2.249 177.959 176.117 -0.678 0.000 1.093 575 I CA 1.396 62.302 61.300 -0.657 0.000 1.380 575 I CB -1.778 35.821 38.000 -0.669 0.000 1.067 575 I HN -0.090 nan 8.210 nan 0.000 0.413 576 A N 0.872 123.473 122.820 -0.365 0.000 1.908 576 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 576 A C 2.460 179.944 177.584 -0.167 0.000 1.181 576 A CA 2.130 54.030 52.037 -0.228 0.000 0.627 576 A CB -0.611 18.329 19.000 -0.099 0.000 0.818 576 A HN 0.403 nan 8.150 nan 0.000 0.445 577 K N -0.500 119.807 120.400 -0.156 0.000 2.025 577 K HA -0.050 4.269 4.320 -0.001 0.000 0.207 577 K C 2.201 178.764 176.600 -0.062 0.000 1.049 577 K CA 1.196 57.428 56.287 -0.092 0.000 0.933 577 K CB -0.344 32.099 32.500 -0.095 0.000 0.714 577 K HN 0.352 nan 8.250 nan 0.000 0.438 578 A N 0.442 123.190 122.820 -0.120 0.000 1.902 578 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 578 A C 1.601 179.300 177.584 0.191 0.000 1.181 578 A CA 1.259 53.293 52.037 -0.005 0.000 0.623 578 A CB -0.762 18.205 19.000 -0.055 0.000 0.818 578 A HN 0.534 nan 8.150 nan 0.000 0.443 579 W N -0.525 120.710 121.300 -0.108 0.000 2.770 579 W HA 0.235 4.894 4.660 -0.001 0.000 0.256 579 W C 2.212 178.722 176.519 -0.015 0.000 1.291 579 W CA 0.039 57.307 57.345 -0.128 0.000 1.396 579 W CB -1.076 28.063 29.460 -0.535 0.000 1.114 579 W HN 0.386 nan 8.180 nan 0.000 0.637 580 G N -0.894 108.002 108.800 0.161 0.000 2.683 580 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.213 580 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.213 580 G C 0.024 175.076 174.900 0.253 0.000 1.142 580 G CA 0.163 45.358 45.100 0.158 0.000 0.793 580 G HN -0.054 nan 8.290 nan 0.000 0.534 581 D N 0.283 120.790 120.400 0.177 0.000 2.232 581 D HA 0.259 4.899 4.640 -0.001 0.000 0.242 581 D C 1.558 177.889 176.300 0.052 0.000 1.093 581 D CA -0.508 53.555 54.000 0.104 0.000 0.845 581 D CB 1.561 42.400 40.800 0.066 0.000 1.124 581 D HN -0.043 nan 8.370 nan 0.000 0.467 582 L N 3.552 124.745 121.223 -0.050 0.000 2.265 582 L HA -0.150 4.189 4.340 -0.001 0.000 0.215 582 L C 1.830 178.687 176.870 -0.021 0.000 1.117 582 L CA 0.567 55.318 54.840 -0.148 0.000 0.782 582 L CB -0.268 41.686 42.059 -0.175 0.000 0.914 582 L HN 0.392 nan 8.230 nan 0.000 0.441 583 N N -0.534 118.176 118.700 0.017 0.000 2.396 583 N HA -0.132 4.608 4.740 -0.001 0.000 0.180 583 N C 1.698 177.238 175.510 0.050 0.000 1.028 583 N CA 1.282 54.353 53.050 0.035 0.000 0.893 583 N CB 0.232 38.738 38.487 0.032 0.000 0.967 583 N HN 0.313 nan 8.380 nan 0.000 0.440 584 S N -1.987 113.754 115.700 0.068 0.000 2.549 584 S HA 0.193 4.662 4.470 -0.001 0.000 0.225 584 S C 0.425 175.117 174.600 0.154 0.000 1.039 584 S CA -0.511 57.748 58.200 0.098 0.000 0.942 584 S CB -0.118 63.137 63.200 0.092 0.000 0.881 584 S HN 0.003 nan 8.310 nan 0.000 0.503 585 V N 4.660 124.671 119.914 0.162 0.000 2.599 585 V HA 0.307 4.426 4.120 -0.001 0.000 0.300 585 V C -2.615 173.563 176.094 0.141 0.000 1.034 585 V CA -1.760 60.671 62.300 0.218 0.000 1.115 585 V CB 0.513 32.478 31.823 0.238 0.000 0.934 585 V HN 0.192 nan 8.190 nan 0.000 0.485 586 P HA 0.181 nan 4.420 nan 0.000 0.271 586 P C 0.508 177.839 177.300 0.052 0.000 1.216 586 P CA 0.027 63.177 63.100 0.083 0.000 0.771 586 P CB 0.509 32.255 31.700 0.076 0.000 0.864 587 E N 1.801 122.030 120.200 0.048 0.000 2.209 587 E HA -0.216 4.133 4.350 -0.001 0.000 0.196 587 E C 1.042 177.652 176.600 0.017 0.000 0.993 587 E CA 1.307 57.728 56.400 0.036 0.000 0.819 587 E CB -0.126 29.594 29.700 0.034 0.000 0.745 587 E HN 0.630 nan 8.360 nan 0.000 0.477 588 D N 0.150 120.560 120.400 0.018 0.000 2.378 588 D HA -0.125 4.515 4.640 -0.001 0.000 0.227 588 D C 1.361 177.677 176.300 0.027 0.000 1.012 588 D CA 0.611 54.617 54.000 0.010 0.000 0.905 588 D CB -0.069 40.739 40.800 0.013 0.000 0.895 588 D HN 0.241 nan 8.370 nan 0.000 0.532 589 L N -0.351 120.881 121.223 0.015 0.000 2.966 589 L HA 0.345 4.684 4.340 -0.001 0.000 0.262 589 L C 1.983 178.858 176.870 0.007 0.000 1.165 589 L CA -0.255 54.604 54.840 0.033 0.000 0.978 589 L CB 0.402 42.349 42.059 -0.187 0.000 1.337 589 L HN -0.058 nan 8.230 nan 0.000 0.563 590 I N 0.619 121.202 120.570 0.022 0.000 2.226 590 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 590 I C 1.988 178.137 176.117 0.053 0.000 1.100 590 I CA 1.634 62.986 61.300 0.087 0.000 1.374 590 I CB 0.242 38.267 38.000 0.042 0.000 1.057 590 I HN 0.257 nan 8.210 nan 0.000 0.413 591 L N -0.902 120.270 121.223 -0.084 0.000 2.551 591 L HA -0.132 4.207 4.340 -0.001 0.000 0.228 591 L C 1.801 178.534 176.870 -0.228 0.000 1.153 591 L CA 0.493 55.248 54.840 -0.141 0.000 0.851 591 L CB -0.549 41.393 42.059 -0.194 0.000 0.959 591 L HN 0.407 nan 8.230 nan 0.000 0.451 592 W N -0.637 120.404 121.300 -0.431 0.000 2.425 592 W HA -0.118 4.541 4.660 -0.002 0.000 0.277 592 W C 1.648 177.711 176.519 -0.760 0.000 1.231 592 W CA 0.636 57.540 57.345 -0.734 0.000 1.248 592 W CB 0.074 28.723 29.460 -1.351 0.000 1.117 592 W HN 0.084 nan 8.180 nan 0.000 0.568 593 F N -3.951 116.028 119.950 0.049 0.000 2.789 593 F HA 0.210 4.736 4.527 -0.001 0.000 0.320 593 F C 0.517 176.094 175.800 -0.371 0.000 1.079 593 F CA -0.215 57.676 58.000 -0.180 0.000 1.205 593 F CB -0.391 38.451 39.000 -0.264 0.000 1.046 593 F HN -0.285 nan 8.300 nan 0.000 0.586 594 H N -0.372 118.785 119.070 0.144 0.000 2.600 594 H HA 0.251 4.806 4.556 -0.001 0.000 0.357 594 H C -0.938 174.396 175.328 0.011 0.000 1.106 594 H CA -0.493 55.592 56.048 0.062 0.000 1.193 594 H CB 1.843 31.599 29.762 -0.010 0.000 1.594 594 H HN 0.001 nan 8.280 nan 0.000 0.526 595 H N 4.219 123.301 119.070 0.020 0.000 2.594 595 H HA 0.311 4.866 4.556 -0.001 0.000 0.304 595 H C -0.999 174.267 175.328 -0.104 0.000 1.068 595 H CA -0.398 55.603 56.048 -0.078 0.000 1.308 595 H CB 0.378 30.072 29.762 -0.114 0.000 1.409 595 H HN 0.441 nan 8.280 nan 0.000 0.460 596 L N 3.561 124.481 121.223 -0.504 0.000 2.346 596 L HA 0.207 4.546 4.340 -0.001 0.000 0.274 596 L C 0.643 177.223 176.870 -0.484 0.000 1.007 596 L CA -0.902 53.698 54.840 -0.399 0.000 0.818 596 L CB 2.014 43.846 42.059 -0.379 0.000 1.284 596 L HN 0.531 nan 8.230 nan 0.000 0.424 597 S N 0.730 116.282 115.700 -0.247 0.000 2.579 597 S HA 0.047 4.517 4.470 -0.001 0.000 0.275 597 S C 0.671 175.221 174.600 -0.084 0.000 1.345 597 S CA -0.075 58.024 58.200 -0.168 0.000 1.031 597 S CB 0.418 63.612 63.200 -0.010 0.000 0.892 597 S HN 0.562 nan 8.310 nan 0.000 0.529 598 W N 1.079 122.390 121.300 0.019 0.000 2.421 598 W HA -0.000 4.659 4.660 -0.002 0.000 0.270 598 W C 1.570 178.149 176.519 0.101 0.000 1.233 598 W CA 0.289 57.677 57.345 0.070 0.000 1.226 598 W CB -0.046 29.448 29.460 0.056 0.000 1.121 598 W HN 0.684 nan 8.180 nan 0.000 0.579 599 D N -1.342 119.225 120.400 0.278 0.000 2.349 599 D HA -0.070 4.570 4.640 -0.001 0.000 0.224 599 D C 0.179 176.568 176.300 0.149 0.000 1.029 599 D CA 0.572 54.685 54.000 0.188 0.000 0.879 599 D CB -0.502 40.378 40.800 0.133 0.000 0.906 599 D HN 0.164 nan 8.370 nan 0.000 0.528 600 H N 1.768 120.873 119.070 0.059 0.000 3.070 600 H HA 0.033 4.588 4.556 -0.001 0.000 0.313 600 H C 0.062 175.410 175.328 0.033 0.000 0.997 600 H CA 0.293 56.354 56.048 0.021 0.000 1.438 600 H CB 0.308 30.057 29.762 -0.023 0.000 1.455 600 H HN -0.205 nan 8.280 nan 0.000 0.575 601 R N 5.480 125.679 120.500 -0.501 0.000 2.297 601 R HA 0.205 4.544 4.340 -0.001 0.000 0.308 601 R C 0.015 175.992 176.300 -0.538 0.000 1.029 601 R CA -0.779 55.094 56.100 -0.377 0.000 0.929 601 R CB 0.897 31.077 30.300 -0.199 0.000 1.046 601 R HN 0.595 nan 8.270 nan 0.000 0.461 602 M N 1.826 121.262 119.600 -0.274 0.000 2.245 602 M HA 0.113 4.592 4.480 -0.001 0.000 0.292 602 M C 1.583 177.821 176.300 -0.104 0.000 1.176 602 M CA -0.035 55.172 55.300 -0.155 0.000 1.035 602 M CB 0.663 33.228 32.600 -0.058 0.000 1.440 602 M HN 0.537 nan 8.290 nan 0.000 0.494 603 Q N 0.384 120.151 119.800 -0.054 0.000 2.135 603 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 603 Q C 1.793 177.764 176.000 -0.048 0.000 0.981 603 Q CA 2.076 57.855 55.803 -0.039 0.000 0.856 603 Q CB -0.186 28.544 28.738 -0.013 0.000 0.902 603 Q HN 0.883 nan 8.270 nan 0.000 0.425 604 S N -1.270 114.394 115.700 -0.060 0.000 2.474 604 S HA 0.001 4.470 4.470 -0.001 0.000 0.235 604 S C 1.565 176.119 174.600 -0.077 0.000 0.997 604 S CA 0.810 58.963 58.200 -0.078 0.000 0.949 604 S CB 0.108 63.235 63.200 -0.122 0.000 0.766 604 S HN 0.584 nan 8.310 nan 0.000 0.517 605 G N 0.991 109.747 108.800 -0.073 0.000 2.234 605 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.235 605 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.235 605 G C 0.238 175.103 174.900 -0.059 0.000 0.997 605 G CA -0.091 44.971 45.100 -0.064 0.000 0.623 605 G HN 0.587 nan 8.290 nan 0.000 0.514 606 R N 1.364 121.825 120.500 -0.065 0.000 2.643 606 R HA 0.370 4.710 4.340 -0.001 0.000 0.270 606 R C 0.915 177.203 176.300 -0.021 0.000 1.061 606 R CA 0.206 56.282 56.100 -0.040 0.000 1.107 606 R CB 0.265 30.530 30.300 -0.058 0.000 0.999 606 R HN 0.645 nan 8.270 nan 0.000 0.460 607 N N 1.356 120.075 118.700 0.033 0.000 2.317 607 N HA -0.060 4.679 4.740 -0.001 0.000 0.245 607 N C 0.713 176.305 175.510 0.137 0.000 1.294 607 N CA -0.411 52.687 53.050 0.080 0.000 0.924 607 N CB 0.342 38.915 38.487 0.143 0.000 1.186 607 N HN 0.454 nan 8.380 nan 0.000 0.495 608 L N -0.310 121.047 121.223 0.223 0.000 2.046 608 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 608 L C 1.955 179.067 176.870 0.404 0.000 1.077 608 L CA 1.368 56.371 54.840 0.273 0.000 0.747 608 L CB -0.845 41.375 42.059 0.269 0.000 0.896 608 L HN 0.777 nan 8.230 nan 0.000 0.432 609 W N 0.428 121.955 121.300 0.379 0.000 2.335 609 W HA -0.293 4.366 4.660 -0.001 0.000 0.311 609 W C 2.161 178.731 176.519 0.085 0.000 1.213 609 W CA 1.927 59.379 57.345 0.178 0.000 1.274 609 W CB -0.242 29.153 29.460 -0.108 0.000 1.148 609 W HN 0.326 nan 8.180 nan 0.000 0.498 610 Q N 0.112 119.861 119.800 -0.085 0.000 2.124 610 Q HA -0.280 4.059 4.340 -0.001 0.000 0.202 610 Q C 2.047 177.967 176.000 -0.132 0.000 0.977 610 Q CA 2.133 57.822 55.803 -0.190 0.000 0.850 610 Q CB -0.365 28.377 28.738 0.006 0.000 0.901 610 Q HN 0.242 nan 8.270 nan 0.000 0.429 611 E N 0.990 121.168 120.200 -0.036 0.000 2.072 611 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 611 E C 1.770 178.371 176.600 0.002 0.000 0.985 611 E CA 0.686 57.090 56.400 0.007 0.000 0.801 611 E CB -0.228 29.484 29.700 0.019 0.000 0.750 611 E HN 0.343 nan 8.360 nan 0.000 0.452 612 L N -0.332 120.868 121.223 -0.038 0.000 2.012 612 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 612 L C 2.167 179.007 176.870 -0.050 0.000 1.073 612 L CA 1.480 56.303 54.840 -0.028 0.000 0.748 612 L CB -0.289 41.791 42.059 0.036 0.000 0.891 612 L HN 0.109 nan 8.230 nan 0.000 0.431 613 V N -0.456 119.253 119.914 -0.342 0.000 2.343 613 V HA -0.345 3.775 4.120 -0.001 0.000 0.247 613 V C 2.442 178.410 176.094 -0.209 0.000 1.051 613 V CA 2.173 64.251 62.300 -0.370 0.000 1.036 613 V CB -0.967 30.400 31.823 -0.760 0.000 0.654 613 V HN 0.667 nan 8.190 nan 0.000 0.451 614 H N 0.606 119.534 119.070 -0.236 0.000 2.319 614 H HA -0.162 4.394 4.556 -0.001 0.000 0.297 614 H C 2.281 177.619 175.328 0.017 0.000 1.097 614 H CA 1.915 57.931 56.048 -0.053 0.000 1.285 614 H CB 0.065 29.844 29.762 0.030 0.000 1.368 614 H HN 0.165 nan 8.280 nan 0.000 0.495 615 K N -0.152 120.241 120.400 -0.011 0.000 2.025 615 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 615 K C 2.250 178.768 176.600 -0.137 0.000 1.049 615 K CA 1.450 57.674 56.287 -0.105 0.000 0.933 615 K CB -0.777 31.640 32.500 -0.138 0.000 0.714 615 K HN 0.441 nan 8.250 nan 0.000 0.438 616 Y N -0.034 120.229 120.300 -0.062 0.000 2.128 616 Y HA -0.253 4.296 4.550 -0.002 0.000 0.284 616 Y C 2.359 178.199 175.900 -0.101 0.000 1.154 616 Y CA 1.574 59.638 58.100 -0.059 0.000 1.149 616 Y CB -0.470 37.953 38.460 -0.062 0.000 0.976 616 Y HN 0.087 nan 8.280 nan 0.000 0.505 617 Y N -0.439 119.830 120.300 -0.052 0.000 2.242 617 Y HA -0.300 4.249 4.550 -0.001 0.000 0.291 617 Y C 2.708 178.567 175.900 -0.069 0.000 1.137 617 Y CA 1.684 59.739 58.100 -0.075 0.000 1.181 617 Y CB -0.414 37.958 38.460 -0.146 0.000 0.989 617 Y HN 0.169 nan 8.280 nan 0.000 0.527 618 Q N -0.022 119.760 119.800 -0.030 0.000 2.124 618 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 618 Q C 2.458 178.454 176.000 -0.005 0.000 0.977 618 Q CA 1.570 57.325 55.803 -0.079 0.000 0.850 618 Q CB -0.485 28.141 28.738 -0.186 0.000 0.901 618 Q HN 0.535 nan 8.270 nan 0.000 0.429 619 G N -0.072 108.739 108.800 0.019 0.000 2.418 619 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 619 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 619 G C 1.403 176.390 174.900 0.145 0.000 1.158 619 G CA 0.963 46.139 45.100 0.127 0.000 0.771 619 G HN 0.300 nan 8.290 nan 0.000 0.545 620 V N 0.664 120.599 119.914 0.035 0.000 2.358 620 V HA -0.113 4.006 4.120 -0.001 0.000 0.246 620 V C 2.819 178.900 176.094 -0.022 0.000 1.047 620 V CA 1.885 64.144 62.300 -0.069 0.000 1.035 620 V CB -0.263 31.488 31.823 -0.121 0.000 0.658 620 V HN 0.281 nan 8.190 nan 0.000 0.452 621 E N -0.015 120.196 120.200 0.019 0.000 2.110 621 E HA -0.249 4.100 4.350 -0.001 0.000 0.193 621 E C 2.263 178.877 176.600 0.023 0.000 0.988 621 E CA 1.306 57.724 56.400 0.030 0.000 0.804 621 E CB -0.271 29.458 29.700 0.048 0.000 0.745 621 E HN 0.691 nan 8.360 nan 0.000 0.458 622 Q N 0.109 119.927 119.800 0.029 0.000 2.084 622 Q HA -0.093 4.246 4.340 -0.001 0.000 0.202 622 Q C 2.366 178.381 176.000 0.024 0.000 0.978 622 Q CA 1.236 57.057 55.803 0.030 0.000 0.844 622 Q CB 0.000 28.761 28.738 0.038 0.000 0.898 622 Q HN 0.103 nan 8.270 nan 0.000 0.426 623 V N 0.931 120.858 119.914 0.020 0.000 2.295 623 V HA -0.282 3.838 4.120 -0.001 0.000 0.246 623 V C 2.126 178.206 176.094 -0.023 0.000 1.049 623 V CA 1.891 64.181 62.300 -0.017 0.000 1.024 623 V CB -0.510 31.261 31.823 -0.088 0.000 0.648 623 V HN 0.300 nan 8.190 nan 0.000 0.447 624 R N 0.240 120.730 120.500 -0.017 0.000 2.096 624 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 624 R C 2.400 178.711 176.300 0.019 0.000 1.127 624 R CA 1.459 57.559 56.100 -0.000 0.000 0.968 624 R CB -0.579 29.725 30.300 0.007 0.000 0.861 624 R HN 0.548 nan 8.270 nan 0.000 0.440 625 A N 0.903 123.736 122.820 0.021 0.000 1.930 625 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 625 A C 2.144 179.749 177.584 0.035 0.000 1.175 625 A CA 1.117 53.172 52.037 0.029 0.000 0.627 625 A CB -0.340 18.675 19.000 0.026 0.000 0.815 625 A HN 0.169 nan 8.150 nan 0.000 0.443 626 M N -0.846 118.766 119.600 0.021 0.000 2.159 626 M HA -0.231 4.249 4.480 -0.001 0.000 0.263 626 M C 2.429 178.765 176.300 0.060 0.000 1.063 626 M CA 1.583 56.894 55.300 0.018 0.000 1.110 626 M CB -0.543 32.036 32.600 -0.034 0.000 1.374 626 M HN 0.519 nan 8.290 nan 0.000 0.411 627 Q N -0.105 119.722 119.800 0.046 0.000 2.061 627 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 627 Q C 2.142 178.223 176.000 0.135 0.000 0.984 627 Q CA 1.475 57.329 55.803 0.084 0.000 0.846 627 Q CB -0.202 28.562 28.738 0.044 0.000 0.902 627 Q HN 0.518 nan 8.270 nan 0.000 0.421 628 R N -0.235 120.323 120.500 0.097 0.000 2.081 628 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 628 R C 2.419 178.788 176.300 0.114 0.000 1.131 628 R CA 1.648 57.806 56.100 0.096 0.000 0.960 628 R CB -0.442 29.897 30.300 0.065 0.000 0.856 628 R HN 0.240 nan 8.270 nan 0.000 0.436 629 T N 0.510 115.132 114.554 0.114 0.000 2.652 629 T HA -0.228 4.122 4.350 -0.001 0.000 0.267 629 T C 1.273 176.087 174.700 0.189 0.000 1.039 629 T CA 1.283 63.454 62.100 0.118 0.000 1.153 629 T CB -0.320 68.604 68.868 0.093 0.000 0.863 629 T HN 0.487 nan 8.240 nan 0.000 0.428 630 W N 2.078 123.404 121.300 0.044 0.000 2.358 630 W HA -0.168 4.491 4.660 -0.002 0.000 0.303 630 W C 1.534 178.212 176.519 0.266 0.000 1.208 630 W CA 1.252 58.658 57.345 0.100 0.000 1.274 630 W CB -0.236 29.222 29.460 -0.003 0.000 1.138 630 W HN 0.265 nan 8.180 nan 0.000 0.515 631 D N 0.141 120.693 120.400 0.255 0.000 2.182 631 D HA -0.222 4.417 4.640 -0.001 0.000 0.201 631 D C 2.001 178.372 176.300 0.119 0.000 0.986 631 D CA 1.512 55.666 54.000 0.257 0.000 0.847 631 D CB -0.582 40.339 40.800 0.201 0.000 0.942 631 D HN 0.407 nan 8.370 nan 0.000 0.467 632 Q N -0.344 119.500 119.800 0.073 0.000 2.488 632 Q HA -0.052 4.287 4.340 -0.001 0.000 0.211 632 Q C 0.985 176.995 176.000 0.018 0.000 0.967 632 Q CA 0.559 56.382 55.803 0.034 0.000 0.926 632 Q CB 0.253 29.026 28.738 0.058 0.000 0.992 632 Q HN 0.227 nan 8.270 nan 0.000 0.506 633 Q N -0.300 119.478 119.800 -0.037 0.000 2.247 633 Q HA 0.015 4.354 4.340 -0.001 0.000 0.204 633 Q C 0.835 176.679 176.000 -0.261 0.000 0.872 633 Q CA 0.167 55.985 55.803 0.024 0.000 0.951 633 Q CB 0.476 29.186 28.738 -0.047 0.000 1.099 633 Q HN 0.447 nan 8.270 nan 0.000 0.501 634 E N 1.211 121.074 120.200 -0.562 0.000 2.171 634 E HA -0.175 4.174 4.350 -0.001 0.000 0.197 634 E C 1.423 177.627 176.600 -0.660 0.000 0.997 634 E CA 1.158 56.926 56.400 -1.053 0.000 0.810 634 E CB 0.212 29.234 29.700 -1.130 0.000 0.738 634 E HN 0.348 nan 8.360 nan 0.000 0.467 635 A N -0.492 121.972 122.820 -0.592 0.000 2.119 635 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 635 A C 1.018 178.244 177.584 -0.596 0.000 1.153 635 A CA 0.720 52.382 52.037 -0.624 0.000 0.692 635 A CB -0.237 18.306 19.000 -0.761 0.000 0.799 635 A HN 0.359 nan 8.150 nan 0.000 0.458 636 Y N -1.615 118.537 120.300 -0.246 0.000 2.444 636 Y HA 0.341 4.890 4.550 -0.001 0.000 0.249 636 Y C 0.346 176.027 175.900 -0.366 0.000 1.134 636 Y CA -0.509 57.413 58.100 -0.297 0.000 1.261 636 Y CB 0.298 38.553 38.460 -0.342 0.000 1.143 636 Y HN -0.013 nan 8.280 nan 0.000 0.523 637 V N 2.090 121.908 119.914 -0.160 0.000 2.628 637 V HA 0.163 4.282 4.120 -0.001 0.000 0.306 637 V C -0.229 175.883 176.094 0.029 0.000 1.045 637 V CA -1.601 60.677 62.300 -0.037 0.000 0.905 637 V CB 1.683 33.525 31.823 0.032 0.000 0.997 637 V HN 0.213 nan 8.190 nan 0.000 0.436 638 D N 3.259 123.727 120.400 0.114 0.000 2.419 638 D HA 0.062 4.701 4.640 -0.001 0.000 0.236 638 D C 1.114 177.513 176.300 0.166 0.000 1.165 638 D CA 0.329 54.390 54.000 0.101 0.000 0.882 638 D CB 1.802 42.665 40.800 0.106 0.000 1.201 638 D HN 0.547 nan 8.370 nan 0.000 0.443 639 A N 2.431 125.321 122.820 0.117 0.000 1.933 639 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 639 A C 2.261 179.992 177.584 0.245 0.000 1.175 639 A CA 2.283 54.419 52.037 0.166 0.000 0.628 639 A CB -0.872 18.183 19.000 0.092 0.000 0.814 639 A HN 0.761 nan 8.150 nan 0.000 0.444 640 A N -0.092 122.841 122.820 0.189 0.000 1.855 640 A HA -0.139 4.181 4.320 -0.001 0.000 0.215 640 A C 2.245 179.967 177.584 0.230 0.000 1.191 640 A CA 1.477 53.621 52.037 0.178 0.000 0.613 640 A CB -0.485 18.591 19.000 0.127 0.000 0.829 640 A HN 0.530 nan 8.150 nan 0.000 0.442 641 R N -1.931 118.738 120.500 0.282 0.000 2.115 641 R HA -0.080 4.259 4.340 -0.001 0.000 0.230 641 R C 1.975 178.568 176.300 0.487 0.000 1.111 641 R CA 1.379 57.700 56.100 0.368 0.000 0.976 641 R CB -0.489 30.090 30.300 0.464 0.000 0.870 641 R HN 0.594 nan 8.270 nan 0.000 0.445 642 F N 1.636 121.822 119.950 0.394 0.000 2.095 642 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 642 F C 2.301 178.375 175.800 0.458 0.000 1.104 642 F CA 1.560 59.842 58.000 0.471 0.000 1.232 642 F CB -0.394 38.703 39.000 0.162 0.000 0.987 642 F HN -0.023 nan 8.300 nan 0.000 0.475 643 A N -0.138 122.828 122.820 0.243 0.000 1.902 643 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 643 A C 2.266 179.875 177.584 0.040 0.000 1.181 643 A CA 1.758 53.861 52.037 0.111 0.000 0.623 643 A CB -1.074 18.033 19.000 0.179 0.000 0.818 643 A HN 0.642 nan 8.150 nan 0.000 0.443 644 Q N -0.230 119.620 119.800 0.084 0.000 2.050 644 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 644 Q C 1.961 177.922 176.000 -0.065 0.000 0.980 644 Q CA 2.074 57.895 55.803 0.030 0.000 0.840 644 Q CB -0.204 28.574 28.738 0.066 0.000 0.898 644 Q HN 0.393 nan 8.270 nan 0.000 0.424 645 V N 1.455 121.320 119.914 -0.082 0.000 2.343 645 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 645 V C 2.433 178.294 176.094 -0.388 0.000 1.051 645 V CA 2.128 64.222 62.300 -0.343 0.000 1.036 645 V CB -0.680 30.747 31.823 -0.660 0.000 0.654 645 V HN 0.407 nan 8.190 nan 0.000 0.451 646 K N 0.516 120.774 120.400 -0.237 0.000 2.032 646 K HA -0.229 4.091 4.320 -0.001 0.000 0.209 646 K C 2.178 178.725 176.600 -0.089 0.000 1.048 646 K CA 1.842 58.050 56.287 -0.131 0.000 0.927 646 K CB -0.376 32.008 32.500 -0.194 0.000 0.712 646 K HN 0.417 nan 8.250 nan 0.000 0.441 647 A N 1.271 124.050 122.820 -0.068 0.000 1.902 647 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 647 A C 2.154 179.714 177.584 -0.041 0.000 1.181 647 A CA 1.345 53.363 52.037 -0.031 0.000 0.623 647 A CB -0.627 18.370 19.000 -0.005 0.000 0.818 647 A HN 0.341 nan 8.150 nan 0.000 0.443 648 L N -0.720 120.457 121.223 -0.078 0.000 2.042 648 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 648 L C 2.532 179.374 176.870 -0.046 0.000 1.076 648 L CA 1.091 55.896 54.840 -0.058 0.000 0.749 648 L CB -0.591 41.373 42.059 -0.159 0.000 0.893 648 L HN 0.363 nan 8.230 nan 0.000 0.432 649 L N -0.763 120.402 121.223 -0.097 0.000 2.131 649 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 649 L C 2.724 179.547 176.870 -0.079 0.000 1.092 649 L CA 1.183 55.963 54.840 -0.100 0.000 0.759 649 L CB -0.415 41.564 42.059 -0.134 0.000 0.903 649 L HN 0.343 nan 8.230 nan 0.000 0.435 650 Q N -0.793 118.977 119.800 -0.051 0.000 2.084 650 Q HA -0.185 4.154 4.340 -0.001 0.000 0.202 650 Q C 2.340 178.315 176.000 -0.041 0.000 0.978 650 Q CA 1.578 57.361 55.803 -0.033 0.000 0.844 650 Q CB -0.264 28.470 28.738 -0.006 0.000 0.898 650 Q HN 0.352 nan 8.270 nan 0.000 0.426 651 V N 1.071 120.968 119.914 -0.029 0.000 2.332 651 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 651 V C 2.335 178.359 176.094 -0.117 0.000 1.055 651 V CA 2.206 64.498 62.300 -0.014 0.000 1.038 651 V CB -0.691 31.163 31.823 0.052 0.000 0.651 651 V HN 0.420 nan 8.190 nan 0.000 0.450 652 Q N -0.241 119.432 119.800 -0.211 0.000 2.084 652 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 652 Q C 2.432 178.200 176.000 -0.386 0.000 0.978 652 Q CA 1.906 57.418 55.803 -0.485 0.000 0.844 652 Q CB -0.202 28.310 28.738 -0.376 0.000 0.898 652 Q HN 0.661 nan 8.270 nan 0.000 0.426 653 E N 0.777 120.840 120.200 -0.228 0.000 2.077 653 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 653 E C 2.027 178.531 176.600 -0.160 0.000 0.989 653 E CA 1.120 57.404 56.400 -0.195 0.000 0.800 653 E CB -0.124 29.511 29.700 -0.109 0.000 0.746 653 E HN 0.312 nan 8.360 nan 0.000 0.452 654 R N 0.236 120.677 120.500 -0.098 0.000 2.081 654 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 654 R C 2.191 178.471 176.300 -0.033 0.000 1.131 654 R CA 1.525 57.604 56.100 -0.036 0.000 0.960 654 R CB 0.016 30.320 30.300 0.007 0.000 0.856 654 R HN 0.068 nan 8.270 nan 0.000 0.436 655 E N 0.077 120.237 120.200 -0.068 0.000 2.107 655 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 655 E C 1.834 178.464 176.600 0.049 0.000 0.982 655 E CA 1.105 57.511 56.400 0.011 0.000 0.809 655 E CB -0.125 29.597 29.700 0.035 0.000 0.756 655 E HN 0.445 nan 8.360 nan 0.000 0.459 656 A N 0.968 123.633 122.820 -0.257 0.000 1.902 656 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 656 A C 2.589 180.046 177.584 -0.211 0.000 1.181 656 A CA 1.357 53.047 52.037 -0.579 0.000 0.623 656 A CB -0.652 17.654 19.000 -1.156 0.000 0.818 656 A HN 0.132 nan 8.150 nan 0.000 0.443 657 V N -0.047 119.778 119.914 -0.148 0.000 2.343 657 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 657 V C 2.645 178.715 176.094 -0.040 0.000 1.051 657 V CA 2.330 64.576 62.300 -0.089 0.000 1.036 657 V CB -0.796 31.004 31.823 -0.038 0.000 0.654 657 V HN 0.678 nan 8.190 nan 0.000 0.451 658 R N -1.420 119.095 120.500 0.025 0.000 2.081 658 R HA -0.210 4.129 4.340 -0.001 0.000 0.235 658 R C 2.147 178.400 176.300 -0.078 0.000 1.131 658 R CA 2.103 58.221 56.100 0.030 0.000 0.960 658 R CB -0.331 30.010 30.300 0.067 0.000 0.856 658 R HN 0.550 nan 8.270 nan 0.000 0.436 659 W N 0.835 122.069 121.300 -0.111 0.000 2.333 659 W HA -0.139 4.520 4.660 -0.002 0.000 0.316 659 W C 2.671 179.104 176.519 -0.143 0.000 1.215 659 W CA 1.832 59.127 57.345 -0.083 0.000 1.278 659 W CB -0.305 29.200 29.460 0.075 0.000 1.154 659 W HN 0.118 nan 8.180 nan 0.000 0.486 660 R N 0.418 120.989 120.500 0.118 0.000 2.080 660 R HA -0.220 4.119 4.340 -0.001 0.000 0.236 660 R C 1.823 177.938 176.300 -0.309 0.000 1.137 660 R CA 2.160 58.202 56.100 -0.096 0.000 0.943 660 R CB -0.775 29.397 30.300 -0.213 0.000 0.846 660 R HN 0.131 nan 8.270 nan 0.000 0.431 661 N N 0.252 118.741 118.700 -0.352 0.000 2.120 661 N HA -0.099 4.640 4.740 -0.001 0.000 0.188 661 N C 1.844 177.012 175.510 -0.571 0.000 1.024 661 N CA 1.775 54.528 53.050 -0.494 0.000 0.852 661 N CB -0.403 37.679 38.487 -0.676 0.000 1.003 661 N HN 0.161 nan 8.380 nan 0.000 0.424 662 S N -0.036 115.322 115.700 -0.570 0.000 2.356 662 S HA -0.099 4.370 4.470 -0.001 0.000 0.223 662 S C 2.275 176.799 174.600 -0.127 0.000 1.032 662 S CA 0.925 58.959 58.200 -0.277 0.000 1.005 662 S CB -0.392 62.711 63.200 -0.162 0.000 0.867 662 S HN 0.452 nan 8.310 nan 0.000 0.449 663 C N 0.813 119.951 119.300 -0.270 0.000 2.466 663 C HA 0.072 4.532 4.460 -0.001 0.000 0.278 663 C C 2.683 177.533 174.990 -0.235 0.000 1.288 663 C CA 0.137 58.954 59.018 -0.335 0.000 1.722 663 C CB -1.217 26.207 27.740 -0.526 0.000 2.017 663 C HN 0.396 nan 8.230 nan 0.000 0.488 664 V N 1.251 120.977 119.914 -0.313 0.000 2.295 664 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 664 V C 2.328 178.487 176.094 0.108 0.000 1.049 664 V CA 1.851 64.109 62.300 -0.069 0.000 1.024 664 V CB -0.641 31.130 31.823 -0.086 0.000 0.648 664 V HN 0.546 nan 8.190 nan 0.000 0.447 665 L N -1.333 119.910 121.223 0.034 0.000 2.141 665 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 665 L C 2.476 179.402 176.870 0.094 0.000 1.094 665 L CA 1.793 56.684 54.840 0.086 0.000 0.763 665 L CB -0.697 41.413 42.059 0.085 0.000 0.908 665 L HN 0.438 nan 8.230 nan 0.000 0.437 666 Y N 0.487 120.776 120.300 -0.017 0.000 2.109 666 Y HA -0.256 4.294 4.550 -0.001 0.000 0.285 666 Y C 2.299 178.158 175.900 -0.067 0.000 1.131 666 Y CA 1.372 59.442 58.100 -0.051 0.000 1.121 666 Y CB -0.535 37.846 38.460 -0.131 0.000 0.987 666 Y HN -0.046 nan 8.280 nan 0.000 0.495 667 F N 1.082 120.991 119.950 -0.068 0.000 2.216 667 F HA -0.213 4.314 4.527 -0.001 0.000 0.300 667 F C 2.761 178.431 175.800 -0.216 0.000 1.085 667 F CA 1.814 59.752 58.000 -0.104 0.000 1.326 667 F CB -1.116 38.042 39.000 0.263 0.000 1.027 667 F HN 0.231 nan 8.300 nan 0.000 0.497 668 Q N 0.516 120.350 119.800 0.056 0.000 2.084 668 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 668 Q C 2.383 178.211 176.000 -0.287 0.000 0.978 668 Q CA 2.244 57.897 55.803 -0.250 0.000 0.844 668 Q CB -0.212 28.543 28.738 0.029 0.000 0.898 668 Q HN 0.446 nan 8.270 nan 0.000 0.426 669 S N -1.025 114.558 115.700 -0.195 0.000 2.419 669 S HA -0.095 4.374 4.470 -0.001 0.000 0.233 669 S C 1.796 176.281 174.600 -0.193 0.000 1.016 669 S CA 1.272 59.370 58.200 -0.170 0.000 0.974 669 S CB -0.206 62.926 63.200 -0.114 0.000 0.786 669 S HN 0.264 nan 8.310 nan 0.000 0.492 670 V N 1.505 121.266 119.914 -0.254 0.000 2.500 670 V HA 0.227 4.346 4.120 -0.001 0.000 0.243 670 V C 3.016 179.038 176.094 -0.120 0.000 1.039 670 V CA 1.209 63.427 62.300 -0.136 0.000 1.053 670 V CB -1.010 30.764 31.823 -0.081 0.000 0.695 670 V HN 0.620 nan 8.190 nan 0.000 0.463 671 A N -0.147 122.484 122.820 -0.316 0.000 2.016 671 A HA 0.291 4.610 4.320 -0.001 0.000 0.217 671 A C 1.937 179.192 177.584 -0.547 0.000 1.162 671 A CA 1.123 52.812 52.037 -0.580 0.000 0.662 671 A CB -0.733 17.356 19.000 -1.519 0.000 0.812 671 A HN 1.301 nan 8.150 nan 0.000 0.450 672 G N -0.411 108.096 108.800 -0.487 0.000 2.314 672 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.292 672 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.292 672 G C 0.020 174.654 174.900 -0.443 0.000 1.059 672 G CA 0.526 45.408 45.100 -0.362 0.000 0.982 672 G HN 0.697 nan 8.290 nan 0.000 0.505 673 R N -0.083 120.000 120.500 -0.695 0.000 2.750 673 R HA 0.574 4.913 4.340 -0.001 0.000 0.281 673 R C -2.594 173.486 176.300 -0.367 0.000 0.972 673 R CA -2.041 53.663 56.100 -0.661 0.000 0.912 673 R CB 2.365 31.925 30.300 -1.233 0.000 1.187 673 R HN 0.119 nan 8.270 nan 0.000 0.464 674 P HA 0.181 nan 4.420 nan 0.000 0.278 674 P C -0.317 177.194 177.300 0.352 0.000 1.238 674 P CA -0.255 62.910 63.100 0.109 0.000 0.794 674 P CB 0.646 32.392 31.700 0.077 0.000 0.955 675 I N 3.929 124.677 120.570 0.297 0.000 2.517 675 I HA 0.092 4.261 4.170 -0.001 0.000 0.285 675 I C -1.781 174.454 176.117 0.197 0.000 1.106 675 I CA -1.824 59.625 61.300 0.247 0.000 1.402 675 I CB -0.125 37.977 38.000 0.169 0.000 1.399 675 I HN 0.169 nan 8.210 nan 0.000 0.535 676 P HA -0.085 nan 4.420 nan 0.000 0.263 676 P C 0.379 177.747 177.300 0.114 0.000 1.175 676 P CA 0.131 63.337 63.100 0.178 0.000 0.761 676 P CB 0.749 32.578 31.700 0.216 0.000 0.794 677 A N 4.245 127.083 122.820 0.031 0.000 2.024 677 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 677 A C 1.809 179.354 177.584 -0.066 0.000 1.164 677 A CA 1.651 53.687 52.037 -0.002 0.000 0.643 677 A CB -1.078 17.917 19.000 -0.008 0.000 0.806 677 A HN 0.723 nan 8.150 nan 0.000 0.451 678 N N -1.004 117.588 118.700 -0.180 0.000 2.381 678 N HA -0.125 4.614 4.740 -0.001 0.000 0.182 678 N C -0.111 175.191 175.510 -0.348 0.000 1.025 678 N CA 0.577 53.452 53.050 -0.292 0.000 0.888 678 N CB -0.468 37.768 38.487 -0.418 0.000 0.965 678 N HN 0.484 nan 8.380 nan 0.000 0.438 679 Y N 1.567 121.757 120.300 -0.184 0.000 2.301 679 Y HA 0.152 4.702 4.550 -0.001 0.000 0.328 679 Y C 0.974 176.813 175.900 -0.102 0.000 1.242 679 Y CA -1.041 56.874 58.100 -0.307 0.000 1.323 679 Y CB 0.518 38.486 38.460 -0.821 0.000 1.266 679 Y HN 0.001 nan 8.280 nan 0.000 0.527 680 E N 3.368 123.698 120.200 0.217 0.000 2.351 680 E HA -0.021 4.328 4.350 -0.001 0.000 0.266 680 E C -0.870 175.883 176.600 0.254 0.000 1.031 680 E CA -0.475 56.051 56.400 0.211 0.000 0.911 680 E CB 0.500 30.336 29.700 0.226 0.000 0.986 680 E HN 0.528 nan 8.360 nan 0.000 0.446 681 Q N 4.651 124.546 119.800 0.158 0.000 2.286 681 Q HA 0.280 4.619 4.340 -0.001 0.000 0.257 681 Q C -2.044 174.032 176.000 0.126 0.000 0.941 681 Q CA -1.913 53.980 55.803 0.151 0.000 0.912 681 Q CB 0.591 29.386 28.738 0.095 0.000 1.192 681 Q HN 0.470 nan 8.270 nan 0.000 0.410 682 P HA -0.056 nan 4.420 nan 0.000 0.269 682 P C 0.468 177.796 177.300 0.047 0.000 1.211 682 P CA 0.097 63.273 63.100 0.127 0.000 0.781 682 P CB 0.816 32.627 31.700 0.185 0.000 0.877 683 E N 0.132 120.294 120.200 -0.063 0.000 2.389 683 E HA -0.015 4.334 4.350 -0.001 0.000 0.199 683 E C -0.109 176.302 176.600 -0.314 0.000 0.978 683 E CA 0.368 56.631 56.400 -0.228 0.000 0.912 683 E CB 0.320 29.806 29.700 -0.358 0.000 0.907 683 E HN 0.596 nan 8.360 nan 0.000 0.494 684 H N 0.459 119.482 119.070 -0.078 0.000 2.570 684 H HA 0.160 4.716 4.556 -0.001 0.000 0.342 684 H C -0.122 175.236 175.328 0.049 0.000 1.245 684 H CA -0.690 55.252 56.048 -0.177 0.000 1.318 684 H CB 0.880 30.253 29.762 -0.648 0.000 1.694 684 H HN 0.036 nan 8.280 nan 0.000 0.592 685 D N -0.089 120.430 120.400 0.199 0.000 2.478 685 D HA 0.007 4.646 4.640 -0.001 0.000 0.263 685 D C 1.097 177.565 176.300 0.279 0.000 1.153 685 D CA -0.758 53.355 54.000 0.190 0.000 1.038 685 D CB 0.652 41.512 40.800 0.099 0.000 1.120 685 D HN 0.367 nan 8.370 nan 0.000 0.564 686 L N -0.268 121.071 121.223 0.193 0.000 2.046 686 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 686 L C 2.008 178.903 176.870 0.042 0.000 1.077 686 L CA 2.021 56.960 54.840 0.164 0.000 0.747 686 L CB -1.116 40.987 42.059 0.074 0.000 0.896 686 L HN 0.622 nan 8.230 nan 0.000 0.432 687 E N -1.159 119.038 120.200 -0.004 0.000 2.118 687 E HA -0.336 4.013 4.350 -0.001 0.000 0.195 687 E C 2.168 178.719 176.600 -0.082 0.000 0.992 687 E CA 1.794 58.145 56.400 -0.082 0.000 0.804 687 E CB -0.715 28.955 29.700 -0.050 0.000 0.741 687 E HN 0.655 nan 8.360 nan 0.000 0.458 688 Y N -0.656 119.545 120.300 -0.166 0.000 2.181 688 Y HA -0.252 4.297 4.550 -0.001 0.000 0.288 688 Y C 1.544 177.213 175.900 -0.384 0.000 1.146 688 Y CA 2.022 59.928 58.100 -0.324 0.000 1.164 688 Y CB -0.279 37.897 38.460 -0.473 0.000 0.982 688 Y HN 0.129 nan 8.280 nan 0.000 0.515 689 Y N 0.054 120.331 120.300 -0.038 0.000 2.475 689 Y HA -0.032 4.517 4.550 -0.001 0.000 0.289 689 Y C 2.168 177.969 175.900 -0.165 0.000 1.121 689 Y CA 0.775 58.819 58.100 -0.093 0.000 1.257 689 Y CB -0.059 38.448 38.460 0.078 0.000 1.026 689 Y HN 0.007 nan 8.280 nan 0.000 0.555 690 K N -0.222 120.026 120.400 -0.253 0.000 2.097 690 K HA -0.196 4.123 4.320 -0.001 0.000 0.206 690 K C 2.149 178.629 176.600 -0.202 0.000 1.049 690 K CA 1.344 57.379 56.287 -0.420 0.000 0.933 690 K CB -0.180 31.914 32.500 -0.678 0.000 0.717 690 K HN 0.272 nan 8.250 nan 0.000 0.442 691 M N 1.311 120.764 119.600 -0.245 0.000 2.132 691 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 691 M C 1.809 177.963 176.300 -0.244 0.000 1.065 691 M CA 1.600 56.757 55.300 -0.237 0.000 1.122 691 M CB -0.358 32.067 32.600 -0.291 0.000 1.365 691 M HN 0.144 nan 8.290 nan 0.000 0.411 692 L N 0.257 121.276 121.223 -0.339 0.000 2.083 692 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 692 L C 2.703 179.530 176.870 -0.071 0.000 1.083 692 L CA 1.095 55.786 54.840 -0.248 0.000 0.752 692 L CB -1.045 40.840 42.059 -0.291 0.000 0.899 692 L HN 0.356 nan 8.230 nan 0.000 0.433 693 A N 0.171 122.995 122.820 0.006 0.000 1.933 693 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 693 A C 2.356 179.971 177.584 0.051 0.000 1.175 693 A CA 1.346 53.427 52.037 0.074 0.000 0.628 693 A CB -0.399 18.763 19.000 0.270 0.000 0.814 693 A HN 0.343 nan 8.150 nan 0.000 0.444 694 R N -0.887 119.625 120.500 0.021 0.000 2.193 694 R HA -0.036 4.304 4.340 -0.001 0.000 0.213 694 R C 1.720 178.026 176.300 0.010 0.000 1.055 694 R CA 1.555 57.666 56.100 0.018 0.000 0.995 694 R CB -0.154 30.141 30.300 -0.007 0.000 0.893 694 R HN 0.730 nan 8.270 nan 0.000 0.459 695 T N -4.021 110.526 114.554 -0.011 0.000 2.975 695 T HA 0.108 4.457 4.350 -0.001 0.000 0.257 695 T C 0.756 175.478 174.700 0.037 0.000 1.003 695 T CA -0.234 61.866 62.100 -0.000 0.000 0.932 695 T CB 0.493 69.335 68.868 -0.043 0.000 1.087 695 T HN -0.187 nan 8.240 nan 0.000 0.512 696 T N 3.330 117.911 114.554 0.045 0.000 2.814 696 T HA 0.272 4.621 4.350 -0.001 0.000 0.297 696 T C -0.619 174.175 174.700 0.156 0.000 0.956 696 T CA -0.375 61.786 62.100 0.100 0.000 1.123 696 T CB -0.018 68.907 68.868 0.094 0.000 0.902 696 T HN 0.346 nan 8.240 nan 0.000 0.528 697 Y N 4.423 124.758 120.300 0.058 0.000 2.810 697 Y HA 0.124 4.674 4.550 -0.001 0.000 0.332 697 Y C -0.116 175.792 175.900 0.013 0.000 1.243 697 Y CA -0.104 58.021 58.100 0.042 0.000 1.537 697 Y CB 0.221 38.701 38.460 0.033 0.000 1.265 697 Y HN 0.346 nan 8.280 nan 0.000 0.572 698 V N 10.092 129.627 119.914 -0.631 0.000 2.334 698 V HA 0.219 4.339 4.120 -0.001 0.000 0.267 698 V C -1.977 173.595 176.094 -0.870 0.000 1.040 698 V CA -1.608 60.342 62.300 -0.584 0.000 0.866 698 V CB 0.973 32.676 31.823 -0.199 0.000 1.019 698 V HN 0.706 nan 8.190 nan 0.000 0.468 699 P HA 0.294 nan 4.420 nan 0.000 0.225 699 P C -0.372 177.016 177.300 0.146 0.000 1.830 699 P CA 0.148 63.103 63.100 -0.243 0.000 1.051 699 P CB 0.349 32.027 31.700 -0.038 0.000 1.929 700 E N 2.560 122.807 120.200 0.078 0.000 2.311 700 E HA 0.258 4.607 4.350 -0.001 0.000 0.281 700 E C -2.335 174.325 176.600 0.100 0.000 0.905 700 E CA -2.144 54.334 56.400 0.131 0.000 0.778 700 E CB 2.283 32.039 29.700 0.092 0.000 1.240 700 E HN -0.100 nan 8.360 nan 0.000 0.410 701 P HA -0.099 nan 4.420 nan 0.000 0.215 701 P C 0.845 178.210 177.300 0.108 0.000 1.153 701 P CA 0.772 63.934 63.100 0.103 0.000 0.853 701 P CB 0.011 31.770 31.700 0.098 0.000 0.788 702 W N -0.067 121.209 121.300 -0.040 0.000 2.379 702 W HA -0.098 4.560 4.660 -0.002 0.000 0.307 702 W C 1.210 177.710 176.519 -0.031 0.000 1.200 702 W CA 1.346 58.665 57.345 -0.043 0.000 1.297 702 W CB -0.699 28.717 29.460 -0.073 0.000 1.140 702 W HN -0.071 nan 8.180 nan 0.000 0.507 703 H N 1.281 120.212 119.070 -0.232 0.000 2.683 703 H HA 0.079 4.634 4.556 -0.002 0.000 0.339 703 H C -1.627 173.466 175.328 -0.391 0.000 1.081 703 H CA -1.147 54.535 56.048 -0.610 0.000 1.432 703 H CB 1.502 31.149 29.762 -0.192 0.000 1.462 703 H HN -0.122 nan 8.280 nan 0.000 0.557 704 P HA -0.116 nan 4.420 nan 0.000 0.221 704 P C 1.075 178.328 177.300 -0.077 0.000 1.145 704 P CA 1.544 64.417 63.100 -0.379 0.000 0.795 704 P CB 0.015 31.449 31.700 -0.443 0.000 0.775 705 A N 0.345 123.283 122.820 0.198 0.000 2.024 705 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 705 A C 2.286 179.902 177.584 0.053 0.000 1.164 705 A CA 2.067 54.197 52.037 0.155 0.000 0.643 705 A CB -1.525 17.579 19.000 0.173 0.000 0.806 705 A HN 0.370 nan 8.150 nan 0.000 0.451 706 S N -0.910 114.804 115.700 0.022 0.000 2.474 706 S HA -0.034 4.435 4.470 -0.001 0.000 0.235 706 S C 1.509 176.155 174.600 0.077 0.000 0.997 706 S CA 1.318 59.495 58.200 -0.039 0.000 0.949 706 S CB -0.305 62.855 63.200 -0.067 0.000 0.766 706 S HN 0.372 nan 8.310 nan 0.000 0.517 707 S N 1.105 116.831 115.700 0.042 0.000 2.556 707 S HA 0.294 4.764 4.470 -0.001 0.000 0.216 707 S C 0.610 175.236 174.600 0.042 0.000 0.970 707 S CA -0.225 58.002 58.200 0.045 0.000 0.912 707 S CB 0.112 63.312 63.200 0.001 0.000 0.790 707 S HN 0.569 nan 8.310 nan 0.000 0.504 708 S N 1.685 117.413 115.700 0.047 0.000 2.516 708 S HA 0.168 4.637 4.470 -0.001 0.000 0.282 708 S C 0.859 175.489 174.600 0.050 0.000 1.286 708 S CA -0.320 57.904 58.200 0.041 0.000 1.066 708 S CB 0.313 63.540 63.200 0.045 0.000 0.884 708 S HN 0.370 nan 8.310 nan 0.000 0.491 709 R N 3.080 123.601 120.500 0.034 0.000 2.388 709 R HA 0.182 4.521 4.340 -0.001 0.000 0.247 709 R C -0.191 176.123 176.300 0.023 0.000 0.931 709 R CA -0.215 55.904 56.100 0.031 0.000 1.082 709 R CB 0.184 30.496 30.300 0.021 0.000 1.135 709 R HN 0.431 nan 8.270 nan 0.000 0.525 710 V N 1.767 121.695 119.914 0.024 0.000 2.599 710 V HA -0.059 4.060 4.120 -0.001 0.000 0.300 710 V C 1.124 177.223 176.094 0.009 0.000 1.034 710 V CA 0.878 63.187 62.300 0.015 0.000 1.115 710 V CB 0.978 32.811 31.823 0.016 0.000 0.934 710 V HN 0.379 nan 8.190 nan 0.000 0.485 711 L N 4.482 125.704 121.223 -0.002 0.000 3.086 711 L HA 0.368 4.707 4.340 -0.001 0.000 0.274 711 L C 0.690 177.545 176.870 -0.026 0.000 1.184 711 L CA 0.268 55.102 54.840 -0.010 0.000 1.002 711 L CB 0.180 42.236 42.059 -0.005 0.000 1.383 711 L HN 0.591 nan 8.230 nan 0.000 0.582 712 K N 0.000 120.382 120.400 -0.030 0.000 2.780 712 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 712 K CA 0.000 56.260 56.287 -0.045 0.000 0.838 712 K CB 0.000 32.481 32.500 -0.032 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543