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 1gqj_1_A 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 0.000 176.635 176.600 0.058 0.000 1.382 5 E CA 0.000 56.420 56.400 0.033 0.000 0.976 5 E CB 0.000 29.716 29.700 0.026 0.000 0.812 6 D N 0.832 121.267 120.400 0.058 0.000 2.479 6 D HA 0.210 2.107 4.640 -4.572 0.000 0.218 6 D C 1.180 177.541 176.300 0.102 0.000 1.177 6 D CA 0.241 54.288 54.000 0.078 0.000 0.830 6 D CB 0.597 41.435 40.800 0.064 0.000 1.014 6 D HN 0.723 nan 8.370 nan 0.000 0.503 7 G N 0.370 109.213 108.800 0.071 0.000 2.184 7 G HA2 -0.471 0.746 3.960 -4.572 0.000 0.264 7 G HA3 -0.471 0.746 3.960 -4.572 0.000 0.264 7 G C 0.726 175.710 174.900 0.140 0.000 0.975 7 G CA 0.486 45.624 45.100 0.064 0.000 0.642 7 G HN 0.395 nan 8.290 nan 0.000 0.536 8 Y N 1.440 121.785 120.300 0.075 0.000 2.274 8 Y HA -0.007 1.803 4.550 -4.565 0.000 0.290 8 Y C 2.209 178.232 175.900 0.206 0.000 1.145 8 Y CA 2.245 60.462 58.100 0.195 0.000 1.203 8 Y CB 0.155 38.657 38.460 0.070 0.000 0.984 8 Y HN 0.304 nan 8.280 nan 0.000 0.533 9 D N -0.313 120.064 120.400 -0.038 0.000 2.347 9 D HA -0.086 1.811 4.640 -4.572 0.000 0.213 9 D C 1.467 177.452 176.300 -0.526 0.000 0.985 9 D CA 0.900 54.739 54.000 -0.269 0.000 0.879 9 D CB 0.070 40.749 40.800 -0.201 0.000 0.919 9 D HN 0.360 nan 8.370 nan 0.000 0.526 10 M N -0.810 118.520 119.600 -0.449 0.000 7.319 10 M HA -0.300 1.437 4.480 -4.572 0.000 0.312 10 M C 1.130 177.123 176.300 -0.512 0.000 0.480 10 M CA 1.971 56.925 55.300 -0.576 0.000 1.311 10 M CB -1.904 30.009 32.600 -1.145 0.000 0.421 10 M HN 0.354 nan 8.290 nan 0.000 0.740 11 W N 1.363 122.431 121.300 -0.387 0.000 3.290 11 W HA 0.565 2.476 4.660 -4.583 0.000 0.287 11 W C 0.780 177.066 176.519 -0.388 0.000 1.288 11 W CA -0.193 56.899 57.345 -0.422 0.000 1.725 11 W CB -0.547 28.701 29.460 -0.354 0.000 1.103 11 W HN 0.294 nan 8.180 nan 0.000 0.670 12 L N 2.842 123.746 121.223 -0.533 0.000 2.796 12 L HA 0.347 1.944 4.340 -4.572 0.000 0.235 12 L C 0.277 176.619 176.870 -0.881 0.000 1.344 12 L CA -0.160 54.294 54.840 -0.643 0.000 1.245 12 L CB -0.484 41.213 42.059 -0.605 0.000 1.556 12 L HN -0.095 nan 8.230 nan 0.000 0.423 13 R N 0.581 120.744 120.500 -0.563 0.000 2.235 13 R HA 0.203 1.800 4.340 -4.572 0.000 0.338 13 R C -1.027 175.127 176.300 -0.243 0.000 1.087 13 R CA -0.448 55.417 56.100 -0.392 0.000 0.948 13 R CB 0.445 30.591 30.300 -0.257 0.000 1.099 13 R HN 0.140 nan 8.270 nan 0.000 0.483 14 Y N 2.453 122.731 120.300 -0.036 0.000 2.817 14 Y HA 0.173 1.981 4.550 -4.571 0.000 0.339 14 Y C 0.360 176.244 175.900 -0.026 0.000 1.281 14 Y CA -0.567 57.516 58.100 -0.029 0.000 1.564 14 Y CB 0.112 38.559 38.460 -0.021 0.000 1.628 14 Y HN 0.315 nan 8.280 nan 0.000 0.489 15 Q N 3.316 123.174 119.800 0.097 0.000 2.266 15 Q HA 0.387 1.984 4.340 -4.572 0.000 0.261 15 Q C -2.415 173.614 176.000 0.047 0.000 0.985 15 Q CA -2.426 53.406 55.803 0.049 0.000 0.873 15 Q CB 1.640 30.382 28.738 0.007 0.000 1.306 15 Q HN 0.208 nan 8.270 nan 0.000 0.447 16 P HA -0.039 nan 4.420 nan 0.000 0.265 16 P C -0.343 176.982 177.300 0.042 0.000 1.193 16 P CA 0.068 63.189 63.100 0.035 0.000 0.765 16 P CB 0.485 32.200 31.700 0.025 0.000 0.823 17 I N 2.579 123.188 120.570 0.066 0.000 2.741 17 I HA -0.091 1.336 4.170 -4.572 0.000 0.288 17 I C 1.871 178.024 176.117 0.060 0.000 1.192 17 I CA 0.414 61.768 61.300 0.090 0.000 1.426 17 I CB -0.210 37.900 38.000 0.183 0.000 1.367 17 I HN 0.469 nan 8.210 nan 0.000 0.563 18 A N 5.761 128.607 122.820 0.044 0.000 1.929 18 A HA -0.109 1.468 4.320 -4.572 0.000 0.216 18 A C 1.076 178.671 177.584 0.019 0.000 1.176 18 A CA 0.662 52.714 52.037 0.024 0.000 0.628 18 A CB -0.217 18.793 19.000 0.016 0.000 0.816 18 A HN 0.748 nan 8.150 nan 0.000 0.444 19 D N 0.262 120.676 120.400 0.023 0.000 2.344 19 D HA 0.099 1.996 4.640 -4.572 0.000 0.253 19 D C 0.741 177.038 176.300 -0.005 0.000 1.255 19 D CA -0.120 53.882 54.000 0.004 0.000 0.894 19 D CB 0.637 41.435 40.800 -0.004 0.000 1.067 19 D HN 0.188 nan 8.370 nan 0.000 0.492 20 Q N 2.274 122.068 119.800 -0.010 0.000 2.135 20 Q HA -0.116 1.481 4.340 -4.572 0.000 0.204 20 Q C 1.720 177.699 176.000 -0.036 0.000 0.981 20 Q CA 1.212 57.005 55.803 -0.016 0.000 0.856 20 Q CB -0.452 28.277 28.738 -0.016 0.000 0.902 20 Q HN 0.510 nan 8.270 nan 0.000 0.425 21 T N 1.621 116.146 114.554 -0.048 0.000 2.737 21 T HA -0.108 1.499 4.350 -4.572 0.000 0.265 21 T C 1.873 176.505 174.700 -0.114 0.000 1.038 21 T CA 0.922 62.980 62.100 -0.070 0.000 1.144 21 T CB -0.261 68.569 68.868 -0.064 0.000 0.866 21 T HN 0.125 nan 8.240 nan 0.000 0.434 22 L N 1.194 122.339 121.223 -0.131 0.000 2.046 22 L HA 0.028 1.625 4.340 -4.572 0.000 0.208 22 L C 2.147 178.858 176.870 -0.266 0.000 1.077 22 L CA 1.377 56.065 54.840 -0.253 0.000 0.747 22 L CB -0.717 41.221 42.059 -0.201 0.000 0.896 22 L HN 0.200 nan 8.230 nan 0.000 0.432 23 L N -0.368 120.819 121.223 -0.060 0.000 2.042 23 L HA -0.241 1.356 4.340 -4.572 0.000 0.210 23 L C 2.415 179.290 176.870 0.009 0.000 1.076 23 L CA 1.885 56.757 54.840 0.054 0.000 0.749 23 L CB -0.720 41.373 42.059 0.057 0.000 0.893 23 L HN 0.241 nan 8.230 nan 0.000 0.432 24 K N -1.201 119.170 120.400 -0.049 0.000 2.057 24 K HA -0.139 1.438 4.320 -4.572 0.000 0.207 24 K C 1.898 178.446 176.600 -0.086 0.000 1.049 24 K CA 1.905 58.157 56.287 -0.060 0.000 0.931 24 K CB -0.467 31.993 32.500 -0.067 0.000 0.714 24 K HN 0.411 nan 8.250 nan 0.000 0.440 25 T N 0.540 115.005 114.554 -0.148 0.000 2.684 25 T HA -0.165 1.442 4.350 -4.572 0.000 0.267 25 T C 1.582 176.217 174.700 -0.109 0.000 1.036 25 T CA 1.433 63.426 62.100 -0.178 0.000 1.148 25 T CB -0.364 68.340 68.868 -0.273 0.000 0.863 25 T HN 0.152 nan 8.240 nan 0.000 0.436 26 Y N 1.811 122.092 120.300 -0.032 0.000 2.181 26 Y HA -0.089 1.718 4.550 -4.571 0.000 0.288 26 Y C 2.717 178.590 175.900 -0.044 0.000 1.146 26 Y CA 0.442 58.527 58.100 -0.025 0.000 1.164 26 Y CB -0.884 37.568 38.460 -0.015 0.000 0.982 26 Y HN 0.318 nan 8.280 nan 0.000 0.515 27 Q N -0.099 119.762 119.800 0.100 0.000 2.135 27 Q HA -0.186 1.411 4.340 -4.572 0.000 0.204 27 Q C 2.072 178.037 176.000 -0.059 0.000 0.981 27 Q CA 1.278 57.086 55.803 0.008 0.000 0.856 27 Q CB -0.032 28.698 28.738 -0.013 0.000 0.902 27 Q HN 0.319 nan 8.270 nan 0.000 0.425 28 K N 0.518 120.858 120.400 -0.101 0.000 2.155 28 K HA -0.101 1.476 4.320 -4.572 0.000 0.203 28 K C 1.939 178.380 176.600 -0.265 0.000 1.052 28 K CA 1.059 57.205 56.287 -0.235 0.000 0.948 28 K CB -0.020 32.322 32.500 -0.264 0.000 0.728 28 K HN 0.366 nan 8.250 nan 0.000 0.448 29 Q N 0.007 119.773 119.800 -0.055 0.000 2.049 29 Q HA 0.028 1.625 4.340 -4.572 0.000 0.198 29 Q C 0.328 176.433 176.000 0.175 0.000 0.971 29 Q CA 0.673 56.543 55.803 0.112 0.000 0.833 29 Q CB 0.323 29.148 28.738 0.145 0.000 0.896 29 Q HN 0.112 nan 8.270 nan 0.000 0.434 30 I N 1.063 121.689 120.570 0.093 0.000 2.428 30 I HA 0.214 1.641 4.170 -4.572 0.000 0.279 30 I C 0.490 176.601 176.117 -0.009 0.000 1.040 30 I CA 0.184 61.523 61.300 0.066 0.000 1.171 30 I CB 1.094 39.110 38.000 0.028 0.000 1.312 30 I HN 0.175 nan 8.210 nan 0.000 0.470 31 R N 2.784 123.268 120.500 -0.026 0.000 2.279 31 R HA 0.204 1.801 4.340 -4.572 0.000 0.195 31 R C -0.284 175.637 176.300 -0.633 0.000 0.905 31 R CA 0.254 56.187 56.100 -0.278 0.000 1.044 31 R CB 0.546 30.690 30.300 -0.260 0.000 1.056 31 R HN 0.577 nan 8.270 nan 0.000 0.535 32 H N -1.119 117.993 119.070 0.069 0.000 2.980 32 H HA 0.364 2.177 4.556 -4.572 0.000 0.367 32 H C -1.504 173.854 175.328 0.050 0.000 1.206 32 H CA -0.732 55.349 56.048 0.055 0.000 1.126 32 H CB 2.255 32.060 29.762 0.073 0.000 1.838 32 H HN -0.173 nan 8.280 nan 0.000 0.552 33 L N 2.667 123.985 121.223 0.158 0.000 2.342 33 L HA 0.287 1.884 4.340 -4.572 0.000 0.276 33 L C -1.063 175.861 176.870 0.090 0.000 0.997 33 L CA -0.458 54.436 54.840 0.090 0.000 0.838 33 L CB 0.739 42.807 42.059 0.015 0.000 1.224 33 L HN 0.743 nan 8.230 nan 0.000 0.416 34 H N 5.270 124.357 119.070 0.028 0.000 2.556 34 H HA 0.474 2.287 4.556 -4.572 0.000 0.310 34 H C -1.603 173.722 175.328 -0.005 0.000 1.057 34 H CA -0.313 55.741 56.048 0.011 0.000 1.264 34 H CB 1.557 31.324 29.762 0.009 0.000 1.404 34 H HN 0.357 nan 8.280 nan 0.000 0.462 35 V N 5.458 125.226 119.914 -0.243 0.000 2.488 35 V HA 0.269 1.646 4.120 -4.572 0.000 0.293 35 V C 0.831 176.813 176.094 -0.186 0.000 1.027 35 V CA -0.162 62.072 62.300 -0.110 0.000 0.862 35 V CB 0.956 32.731 31.823 -0.080 0.000 1.008 35 V HN 0.894 nan 8.190 nan 0.000 0.428 36 A N 3.562 126.344 122.820 -0.062 0.000 1.943 36 A HA 0.436 2.013 4.320 -4.572 0.000 0.213 36 A C 1.471 179.041 177.584 -0.023 0.000 1.181 36 A CA 0.927 52.943 52.037 -0.034 0.000 0.653 36 A CB -0.318 18.734 19.000 0.087 0.000 0.833 36 A HN 0.996 nan 8.150 nan 0.000 0.451 37 G N 0.088 108.882 108.800 -0.010 0.000 2.636 37 G HA2 0.358 1.575 3.960 -4.572 0.000 0.246 37 G HA3 0.358 1.575 3.960 -4.572 0.000 0.246 37 G C -0.056 174.828 174.900 -0.026 0.000 1.216 37 G CA 0.509 45.602 45.100 -0.013 0.000 0.854 37 G HN 0.426 nan 8.290 nan 0.000 0.572 38 D N -1.944 118.443 120.400 -0.021 0.000 2.672 38 D HA 0.044 1.941 4.640 -4.572 0.000 0.287 38 D C 0.864 177.152 176.300 -0.021 0.000 1.559 38 D CA 0.040 54.025 54.000 -0.024 0.000 0.796 38 D CB -0.555 40.232 40.800 -0.021 0.000 1.181 38 D HN 0.460 nan 8.370 nan 0.000 0.458 39 S N -0.062 115.626 115.700 -0.021 0.000 2.584 39 S HA 0.302 2.029 4.470 -4.572 0.000 0.270 39 S C -1.412 173.168 174.600 -0.033 0.000 1.346 39 S CA -0.592 57.597 58.200 -0.019 0.000 1.018 39 S CB 1.589 64.779 63.200 -0.016 0.000 0.899 39 S HN -0.225 nan 8.310 nan 0.000 0.542 40 P HA -0.109 nan 4.420 nan 0.000 0.216 40 P C 1.465 178.704 177.300 -0.102 0.000 1.154 40 P CA 1.709 64.780 63.100 -0.048 0.000 0.865 40 P CB -0.308 31.377 31.700 -0.025 0.000 0.789 41 T N -0.688 113.810 114.554 -0.094 0.000 2.777 41 T HA -0.073 1.534 4.350 -4.572 0.000 0.266 41 T C 1.723 176.347 174.700 -0.126 0.000 1.040 41 T CA 0.878 62.899 62.100 -0.133 0.000 1.141 41 T CB -0.651 68.165 68.868 -0.087 0.000 0.868 41 T HN -0.023 nan 8.240 nan 0.000 0.444 42 I N 2.208 122.729 120.570 -0.083 0.000 2.226 42 I HA -0.132 1.295 4.170 -4.572 0.000 0.245 42 I C 2.146 178.213 176.117 -0.083 0.000 1.100 42 I CA 1.235 62.491 61.300 -0.074 0.000 1.374 42 I CB -1.158 36.814 38.000 -0.047 0.000 1.057 42 I HN 0.222 nan 8.210 nan 0.000 0.413 43 N N 1.500 120.154 118.700 -0.077 0.000 2.149 43 N HA -0.142 1.855 4.740 -4.572 0.000 0.188 43 N C 1.918 177.375 175.510 -0.087 0.000 1.019 43 N CA 1.677 54.685 53.050 -0.070 0.000 0.857 43 N CB -0.338 38.118 38.487 -0.051 0.000 0.997 43 N HN 0.378 nan 8.380 nan 0.000 0.426 44 A N 0.624 123.352 122.820 -0.153 0.000 1.930 44 A HA 0.081 1.658 4.320 -4.572 0.000 0.217 44 A C 2.332 179.844 177.584 -0.120 0.000 1.175 44 A CA 1.765 53.680 52.037 -0.202 0.000 0.627 44 A CB -0.744 17.890 19.000 -0.609 0.000 0.815 44 A HN 0.314 nan 8.150 nan 0.000 0.443 45 A N -0.020 122.714 122.820 -0.143 0.000 1.873 45 A HA 0.183 1.760 4.320 -4.572 0.000 0.215 45 A C 2.522 180.015 177.584 -0.152 0.000 1.186 45 A CA 2.030 53.969 52.037 -0.162 0.000 0.616 45 A CB -1.073 17.845 19.000 -0.138 0.000 0.823 45 A HN 1.031 nan 8.150 nan 0.000 0.442 46 A N -0.058 122.698 122.820 -0.107 0.000 1.908 46 A HA 0.119 1.696 4.320 -4.572 0.000 0.218 46 A C 2.520 180.053 177.584 -0.085 0.000 1.181 46 A CA 2.265 54.248 52.037 -0.090 0.000 0.627 46 A CB -1.086 17.872 19.000 -0.069 0.000 0.818 46 A HN 1.098 nan 8.150 nan 0.000 0.445 47 A N -0.514 122.270 122.820 -0.060 0.000 1.908 47 A HA -0.172 1.405 4.320 -4.572 0.000 0.218 47 A C 1.982 179.537 177.584 -0.048 0.000 1.181 47 A CA 2.197 54.217 52.037 -0.028 0.000 0.627 47 A CB -0.488 18.526 19.000 0.023 0.000 0.818 47 A HN 0.544 nan 8.150 nan 0.000 0.445 48 E N 0.058 120.208 120.200 -0.083 0.000 2.047 48 E HA -0.105 1.502 4.350 -4.572 0.000 0.191 48 E C 1.870 178.308 176.600 -0.269 0.000 0.987 48 E CA 1.167 57.476 56.400 -0.152 0.000 0.799 48 E CB -0.370 29.143 29.700 -0.313 0.000 0.752 48 E HN 0.591 nan 8.360 nan 0.000 0.449 49 L N 0.341 121.413 121.223 -0.252 0.000 2.046 49 L HA -0.224 1.373 4.340 -4.572 0.000 0.208 49 L C 2.794 179.535 176.870 -0.215 0.000 1.077 49 L CA 1.754 56.447 54.840 -0.245 0.000 0.747 49 L CB -0.484 41.466 42.059 -0.181 0.000 0.896 49 L HN 0.296 nan 8.230 nan 0.000 0.432 50 Q N 0.687 120.395 119.800 -0.152 0.000 2.050 50 Q HA -0.250 1.347 4.340 -4.572 0.000 0.202 50 Q C 2.378 178.299 176.000 -0.133 0.000 0.980 50 Q CA 2.089 57.823 55.803 -0.114 0.000 0.840 50 Q CB -0.040 28.657 28.738 -0.070 0.000 0.898 50 Q HN 0.511 nan 8.270 nan 0.000 0.424 51 R N -0.899 119.517 120.500 -0.141 0.000 2.092 51 R HA -0.015 1.582 4.340 -4.572 0.000 0.231 51 R C 2.188 178.305 176.300 -0.305 0.000 1.119 51 R CA 1.407 57.433 56.100 -0.124 0.000 0.970 51 R CB -0.853 29.440 30.300 -0.012 0.000 0.864 51 R HN 0.272 nan 8.270 nan 0.000 0.440 52 G N 2.059 110.465 108.800 -0.656 0.000 2.414 52 G HA2 -0.154 1.063 3.960 -4.572 0.000 0.215 52 G HA3 -0.154 1.063 3.960 -4.572 0.000 0.215 52 G C 1.606 176.180 174.900 -0.544 0.000 1.188 52 G CA 0.674 45.034 45.100 -1.234 0.000 0.783 52 G HN 0.169 nan 8.290 nan 0.000 0.537 53 L N 0.877 121.890 121.223 -0.351 0.000 2.083 53 L HA -0.081 1.516 4.340 -4.572 0.000 0.209 53 L C 3.188 179.973 176.870 -0.142 0.000 1.083 53 L CA 1.145 55.858 54.840 -0.212 0.000 0.752 53 L CB -0.401 41.560 42.059 -0.163 0.000 0.899 53 L HN 0.165 nan 8.230 nan 0.000 0.433 54 S N 0.112 115.734 115.700 -0.130 0.000 2.368 54 S HA -0.128 1.599 4.470 -4.572 0.000 0.225 54 S C 2.024 176.596 174.600 -0.046 0.000 1.030 54 S CA 1.288 59.444 58.200 -0.074 0.000 0.999 54 S CB -0.576 62.590 63.200 -0.057 0.000 0.844 54 S HN 0.616 nan 8.310 nan 0.000 0.459 55 G N 1.592 110.364 108.800 -0.046 0.000 2.414 55 G HA2 -0.078 1.139 3.960 -4.572 0.000 0.215 55 G HA3 -0.078 1.139 3.960 -4.572 0.000 0.215 55 G C 1.340 176.254 174.900 0.023 0.000 1.188 55 G CA 0.459 45.572 45.100 0.021 0.000 0.783 55 G HN 0.420 nan 8.290 nan 0.000 0.537 56 L N -0.497 120.726 121.223 -0.000 0.000 2.083 56 L HA 0.002 1.599 4.340 -4.572 0.000 0.209 56 L C 2.270 179.138 176.870 -0.002 0.000 1.083 56 L CA 0.468 55.309 54.840 0.002 0.000 0.752 56 L CB -0.202 41.825 42.059 -0.052 0.000 0.899 56 L HN 0.135 nan 8.230 nan 0.000 0.433 57 L N -0.942 120.266 121.223 -0.024 0.000 2.607 57 L HA 0.110 1.707 4.340 -4.572 0.000 0.228 57 L C 0.936 177.807 176.870 0.001 0.000 1.123 57 L CA 0.391 55.231 54.840 0.000 0.000 0.890 57 L CB -0.909 41.138 42.059 -0.019 0.000 1.103 57 L HN 0.286 nan 8.230 nan 0.000 0.468 58 N N 1.543 120.242 118.700 -0.002 0.000 2.725 58 N HA -0.235 1.762 4.740 -4.572 0.000 0.251 58 N C -0.543 174.962 175.510 -0.010 0.000 1.031 58 N CA 0.791 53.840 53.050 -0.001 0.000 0.720 58 N CB -0.372 38.119 38.487 0.006 0.000 0.930 58 N HN 0.588 nan 8.380 nan 0.000 0.543 59 K N -2.034 118.355 120.400 -0.019 0.000 2.587 59 K HA 0.462 2.039 4.320 -4.572 0.000 0.276 59 K C -3.467 173.115 176.600 -0.031 0.000 0.956 59 K CA -1.580 54.692 56.287 -0.024 0.000 0.857 59 K CB 1.461 33.942 32.500 -0.031 0.000 1.431 59 K HN -0.240 nan 8.250 nan 0.000 0.420 60 P HA 0.231 nan 4.420 nan 0.000 0.275 60 P C -0.641 176.639 177.300 -0.034 0.000 1.276 60 P CA -0.225 62.860 63.100 -0.025 0.000 0.782 60 P CB 0.219 31.910 31.700 -0.014 0.000 0.851 61 I N 4.613 125.158 120.570 -0.042 0.000 2.355 61 I HA 0.292 1.719 4.170 -4.572 0.000 0.288 61 I C -0.062 176.036 176.117 -0.032 0.000 0.999 61 I CA -0.842 60.431 61.300 -0.044 0.000 1.163 61 I CB 1.801 39.762 38.000 -0.064 0.000 1.316 61 I HN 0.012 nan 8.210 nan 0.000 0.454 62 V N 5.183 125.091 119.914 -0.010 0.000 2.459 62 V HA 0.549 1.926 4.120 -4.572 0.000 0.295 62 V C 0.617 176.707 176.094 -0.007 0.000 1.029 62 V CA -0.854 61.440 62.300 -0.009 0.000 0.874 62 V CB 1.847 33.671 31.823 0.001 0.000 0.985 62 V HN 0.853 nan 8.190 nan 0.000 0.438 63 A N 5.781 128.585 122.820 -0.026 0.000 2.454 63 A HA 0.650 2.227 4.320 -4.572 0.000 0.260 63 A C 0.221 177.774 177.584 -0.052 0.000 1.106 63 A CA 0.023 52.037 52.037 -0.039 0.000 0.780 63 A CB 0.054 19.023 19.000 -0.053 0.000 1.044 63 A HN 0.849 nan 8.150 nan 0.000 0.498 64 R N 1.046 121.499 120.500 -0.078 0.000 2.673 64 R HA 0.310 1.907 4.340 -4.572 0.000 0.281 64 R C -1.691 174.460 176.300 -0.248 0.000 0.991 64 R CA -0.745 55.290 56.100 -0.108 0.000 0.896 64 R CB 1.972 32.242 30.300 -0.050 0.000 1.201 64 R HN 0.776 nan 8.270 nan 0.000 0.457 65 D N 2.942 123.212 120.400 -0.217 0.000 2.479 65 D HA 0.095 1.992 4.640 -4.572 0.000 0.218 65 D C -0.740 175.464 176.300 -0.160 0.000 1.131 65 D CA -0.074 53.751 54.000 -0.292 0.000 0.916 65 D CB 0.457 41.155 40.800 -0.170 0.000 1.022 65 D HN 0.483 nan 8.370 nan 0.000 0.515 66 E N 1.261 121.377 120.200 -0.140 0.000 2.456 66 E HA 0.372 1.979 4.350 -4.572 0.000 0.276 66 E C -0.629 176.041 176.600 0.116 0.000 0.981 66 E CA -1.187 55.212 56.400 -0.001 0.000 0.814 66 E CB 0.866 30.555 29.700 -0.017 0.000 1.382 66 E HN -0.096 nan 8.360 nan 0.000 0.459 67 K N 1.212 121.647 120.400 0.059 0.000 2.511 67 K HA -0.013 1.564 4.320 -4.572 0.000 0.280 67 K C 0.142 176.765 176.600 0.038 0.000 1.008 67 K CA -0.108 56.207 56.287 0.047 0.000 1.050 67 K CB 0.178 32.681 32.500 0.005 0.000 0.889 67 K HN 0.418 nan 8.250 nan 0.000 0.484 68 L N 3.996 125.216 121.223 -0.004 0.000 2.559 68 L HA -0.060 1.537 4.340 -4.572 0.000 0.274 68 L C 0.108 176.936 176.870 -0.069 0.000 1.205 68 L CA 1.148 55.948 54.840 -0.066 0.000 0.907 68 L CB 0.105 42.058 42.059 -0.176 0.000 1.153 68 L HN 0.417 nan 8.230 nan 0.000 0.490 69 K N 3.138 123.484 120.400 -0.090 0.000 2.123 69 K HA 0.266 1.843 4.320 -4.572 0.000 0.248 69 K C -0.759 175.833 176.600 -0.015 0.000 0.969 69 K CA -1.007 55.204 56.287 -0.127 0.000 0.882 69 K CB 0.993 33.222 32.500 -0.451 0.000 1.080 69 K HN 0.602 nan 8.250 nan 0.000 0.441 70 D N 0.514 120.940 120.400 0.044 0.000 2.414 70 D HA -0.017 1.880 4.640 -4.572 0.000 0.242 70 D C -0.810 175.627 176.300 0.228 0.000 1.129 70 D CA 0.753 54.791 54.000 0.065 0.000 0.885 70 D CB 0.159 41.046 40.800 0.145 0.000 1.198 70 D HN 0.418 nan 8.370 nan 0.000 0.437 71 Y N 0.203 120.613 120.300 0.183 0.000 3.091 71 Y HA -0.237 1.570 4.550 -4.572 0.000 0.189 71 Y C 0.011 176.006 175.900 0.158 0.000 1.520 71 Y CA 0.379 58.562 58.100 0.139 0.000 1.121 71 Y CB -1.842 36.657 38.460 0.065 0.000 1.411 71 Y HN 0.094 nan 8.280 nan 0.000 0.459 72 S N 0.320 116.136 115.700 0.194 0.000 2.607 72 S HA 0.767 2.494 4.470 -4.572 0.000 0.303 72 S C -0.584 174.085 174.600 0.115 0.000 1.086 72 S CA -0.915 57.396 58.200 0.185 0.000 0.995 72 S CB 2.103 65.395 63.200 0.154 0.000 1.084 72 S HN 0.289 nan 8.310 nan 0.000 0.507 73 L N 3.217 124.502 121.223 0.104 0.000 2.272 73 L HA 0.622 2.219 4.340 -4.572 0.000 0.289 73 L C -1.286 175.630 176.870 0.077 0.000 1.032 73 L CA -0.197 54.680 54.840 0.062 0.000 0.810 73 L CB 0.886 42.961 42.059 0.026 0.000 1.205 73 L HN 0.411 nan 8.230 nan 0.000 0.422 74 V N 6.830 126.777 119.914 0.055 0.000 2.409 74 V HA 0.497 1.874 4.120 -4.572 0.000 0.291 74 V C 0.040 176.165 176.094 0.052 0.000 1.020 74 V CA -0.549 61.794 62.300 0.072 0.000 0.848 74 V CB 1.429 33.246 31.823 -0.010 0.000 0.990 74 V HN 0.742 nan 8.190 nan 0.000 0.430 75 I N 2.092 122.703 120.570 0.069 0.000 2.693 75 I HA 1.095 2.522 4.170 -4.572 0.000 0.303 75 I C 0.144 176.289 176.117 0.045 0.000 1.025 75 I CA -0.303 61.017 61.300 0.034 0.000 1.086 75 I CB 2.302 40.301 38.000 -0.003 0.000 1.268 75 I HN 0.799 nan 8.210 nan 0.000 0.440 76 G N 2.641 111.460 108.800 0.032 0.000 2.359 76 G HA2 0.367 1.584 3.960 -4.572 0.000 0.293 76 G HA3 0.367 1.584 3.960 -4.572 0.000 0.293 76 G C -0.938 173.983 174.900 0.035 0.000 1.300 76 G CA -0.214 44.905 45.100 0.031 0.000 0.888 76 G HN 1.018 nan 8.290 nan 0.000 0.541 77 T N -1.773 112.800 114.554 0.031 0.000 2.950 77 T HA 0.730 2.337 4.350 -4.572 0.000 0.288 77 T C -1.832 172.884 174.700 0.028 0.000 1.035 77 T CA -1.411 60.710 62.100 0.034 0.000 1.028 77 T CB 2.538 71.424 68.868 0.031 0.000 1.109 77 T HN 0.197 nan 8.240 nan 0.000 0.514 78 P HA -0.083 nan 4.420 nan 0.000 0.217 78 P C 0.949 178.259 177.300 0.017 0.000 1.148 78 P CA 1.052 64.164 63.100 0.019 0.000 0.828 78 P CB 0.020 31.731 31.700 0.017 0.000 0.783 79 D N -0.943 119.468 120.400 0.019 0.000 2.178 79 D HA -0.109 1.788 4.640 -4.572 0.000 0.202 79 D C 1.339 177.649 176.300 0.016 0.000 0.974 79 D CA 1.264 55.274 54.000 0.016 0.000 0.841 79 D CB -0.517 40.293 40.800 0.017 0.000 0.953 79 D HN 0.382 nan 8.370 nan 0.000 0.478 80 N N -1.111 117.601 118.700 0.019 0.000 2.220 80 N HA -0.026 1.971 4.740 -4.572 0.000 0.195 80 N C -0.349 175.178 175.510 0.029 0.000 1.123 80 N CA -0.145 52.916 53.050 0.019 0.000 0.874 80 N CB 0.686 39.181 38.487 0.014 0.000 0.995 80 N HN -0.154 nan 8.380 nan 0.000 0.498 81 S N 0.333 116.053 115.700 0.033 0.000 2.746 81 S HA 0.455 2.182 4.470 -4.572 0.000 0.273 81 S C -2.210 172.408 174.600 0.029 0.000 1.172 81 S CA -1.313 56.916 58.200 0.048 0.000 1.116 81 S CB 1.225 64.462 63.200 0.061 0.000 1.057 81 S HN -0.182 nan 8.310 nan 0.000 0.483 82 P HA -0.138 nan 4.420 nan 0.000 0.217 82 P C 1.444 178.738 177.300 -0.010 0.000 1.151 82 P CA 1.110 64.215 63.100 0.009 0.000 0.849 82 P CB 0.094 31.802 31.700 0.012 0.000 0.787 83 L N -1.520 119.687 121.223 -0.027 0.000 2.012 83 L HA -0.181 1.416 4.340 -4.572 0.000 0.210 83 L C 2.310 179.152 176.870 -0.047 0.000 1.073 83 L CA 1.290 56.088 54.840 -0.070 0.000 0.748 83 L CB -0.891 41.069 42.059 -0.164 0.000 0.891 83 L HN -0.037 nan 8.230 nan 0.000 0.431 84 I N 0.293 120.849 120.570 -0.023 0.000 2.226 84 I HA -0.249 1.178 4.170 -4.572 0.000 0.245 84 I C 2.869 178.983 176.117 -0.004 0.000 1.100 84 I CA 1.603 62.899 61.300 -0.008 0.000 1.374 84 I CB -1.513 36.494 38.000 0.011 0.000 1.057 84 I HN 0.182 nan 8.210 nan 0.000 0.413 85 A N 0.991 123.811 122.820 -0.001 0.000 1.908 85 A HA -0.252 1.325 4.320 -4.572 0.000 0.218 85 A C 2.524 180.104 177.584 -0.007 0.000 1.181 85 A CA 2.501 54.538 52.037 -0.000 0.000 0.627 85 A CB -0.963 18.038 19.000 0.002 0.000 0.818 85 A HN 0.570 nan 8.150 nan 0.000 0.445 86 S N -0.129 115.561 115.700 -0.015 0.000 2.440 86 S HA -0.079 1.648 4.470 -4.572 0.000 0.238 86 S C 1.692 176.279 174.600 -0.021 0.000 1.010 86 S CA 1.405 59.593 58.200 -0.020 0.000 0.972 86 S CB -0.695 62.487 63.200 -0.030 0.000 0.774 86 S HN 0.468 nan 8.310 nan 0.000 0.501 87 L N 1.126 122.337 121.223 -0.019 0.000 2.465 87 L HA 0.087 1.684 4.340 -4.572 0.000 0.224 87 L C 0.272 177.136 176.870 -0.010 0.000 1.145 87 L CA 0.380 55.210 54.840 -0.017 0.000 0.834 87 L CB -1.189 40.861 42.059 -0.014 0.000 0.944 87 L HN 0.371 nan 8.230 nan 0.000 0.451 88 N N -0.261 118.435 118.700 -0.007 0.000 2.688 88 N HA -0.232 1.765 4.740 -4.572 0.000 0.258 88 N C 0.774 176.284 175.510 -0.000 0.000 1.016 88 N CA -0.090 52.959 53.050 -0.003 0.000 0.747 88 N CB -1.138 37.346 38.487 -0.005 0.000 0.895 88 N HN 0.289 nan 8.380 nan 0.000 0.543 89 L N -0.256 120.969 121.223 0.004 0.000 2.191 89 L HA -0.083 1.514 4.340 -4.572 0.000 0.212 89 L C 2.106 178.980 176.870 0.007 0.000 1.103 89 L CA 1.163 56.008 54.840 0.007 0.000 0.769 89 L CB -0.799 41.268 42.059 0.014 0.000 0.908 89 L HN 0.695 nan 8.230 nan 0.000 0.438 90 G N 0.451 109.255 108.800 0.006 0.000 2.611 90 G HA2 -0.488 0.729 3.960 -4.572 0.000 0.301 90 G HA3 -0.488 0.729 3.960 -4.572 0.000 0.301 90 G C 0.779 175.683 174.900 0.006 0.000 1.233 90 G CA 0.763 45.867 45.100 0.005 0.000 0.993 90 G HN 0.372 nan 8.290 nan 0.000 0.553 91 E N -0.041 120.161 120.200 0.003 0.000 2.130 91 E HA -0.194 1.413 4.350 -4.572 0.000 0.196 91 E C 2.556 179.157 176.600 0.002 0.000 0.998 91 E CA 1.628 58.029 56.400 0.001 0.000 0.806 91 E CB -0.109 29.590 29.700 -0.001 0.000 0.738 91 E HN 0.486 nan 8.360 nan 0.000 0.459 92 R N -0.149 120.353 120.500 0.003 0.000 2.091 92 R HA -0.171 1.426 4.340 -4.572 0.000 0.238 92 R C 2.365 178.670 176.300 0.007 0.000 1.136 92 R CA 1.422 57.525 56.100 0.004 0.000 0.959 92 R CB -0.227 30.077 30.300 0.006 0.000 0.856 92 R HN 0.232 nan 8.270 nan 0.000 0.437 93 L N 0.660 121.891 121.223 0.014 0.000 2.095 93 L HA -0.075 1.522 4.340 -4.572 0.000 0.204 93 L C 2.368 179.250 176.870 0.021 0.000 1.080 93 L CA 1.762 56.616 54.840 0.024 0.000 0.759 93 L CB -0.567 41.510 42.059 0.030 0.000 0.914 93 L HN 0.250 nan 8.230 nan 0.000 0.439 94 Q N -0.523 119.285 119.800 0.014 0.000 2.135 94 Q HA -0.207 1.390 4.340 -4.572 0.000 0.204 94 Q C 2.057 178.059 176.000 0.004 0.000 0.981 94 Q CA 1.821 57.630 55.803 0.011 0.000 0.856 94 Q CB -0.234 28.508 28.738 0.007 0.000 0.902 94 Q HN 0.601 nan 8.270 nan 0.000 0.425 95 A N 0.109 122.927 122.820 -0.003 0.000 2.070 95 A HA -0.128 1.449 4.320 -4.572 0.000 0.220 95 A C 1.663 179.235 177.584 -0.020 0.000 1.159 95 A CA 0.921 52.950 52.037 -0.013 0.000 0.656 95 A CB -0.344 18.646 19.000 -0.016 0.000 0.800 95 A HN 0.419 nan 8.150 nan 0.000 0.453 96 L N -1.015 120.200 121.223 -0.012 0.000 2.551 96 L HA 0.188 1.786 4.340 -4.572 0.000 0.228 96 L C 1.636 178.503 176.870 -0.005 0.000 1.153 96 L CA 0.837 55.666 54.840 -0.018 0.000 0.851 96 L CB -1.919 40.140 42.059 -0.001 0.000 0.959 96 L HN 0.626 nan 8.230 nan 0.000 0.451 97 G N -0.538 108.263 108.800 0.001 0.000 2.645 97 G HA2 -0.218 0.999 3.960 -4.572 0.000 0.246 97 G HA3 -0.218 0.999 3.960 -4.572 0.000 0.246 97 G C 0.790 175.711 174.900 0.036 0.000 1.322 97 G CA 0.242 45.344 45.100 0.004 0.000 0.898 97 G HN 0.453 nan 8.290 nan 0.000 0.573 98 A N -0.953 121.887 122.820 0.034 0.000 2.206 98 A HA 0.409 1.986 4.320 -4.572 0.000 0.211 98 A C 1.711 179.361 177.584 0.110 0.000 1.158 98 A CA 2.007 54.080 52.037 0.060 0.000 0.761 98 A CB -0.152 18.875 19.000 0.045 0.000 0.801 98 A HN 0.686 nan 8.150 nan 0.000 0.473 99 E N -1.077 119.208 120.200 0.141 0.000 2.606 99 E HA 0.166 1.773 4.350 -4.572 0.000 0.224 99 E C 0.973 177.843 176.600 0.450 0.000 0.930 99 E CA 0.037 56.623 56.400 0.309 0.000 1.125 99 E CB 0.691 30.578 29.700 0.311 0.000 1.123 99 E HN 0.455 nan 8.360 nan 0.000 0.522 100 G N 0.877 109.822 108.800 0.242 0.000 2.588 100 G HA2 0.393 1.610 3.960 -4.572 0.000 0.281 100 G HA3 0.393 1.610 3.960 -4.572 0.000 0.281 100 G C -0.670 174.407 174.900 0.294 0.000 1.236 100 G CA -0.130 45.091 45.100 0.201 0.000 0.969 100 G HN 0.142 nan 8.290 nan 0.000 0.504 101 Y N -2.632 117.808 120.300 0.234 0.000 2.656 101 Y HA 0.672 2.476 4.550 -4.576 0.000 0.334 101 Y C -1.606 174.372 175.900 0.130 0.000 1.179 101 Y CA -1.813 56.388 58.100 0.170 0.000 1.050 101 Y CB 1.500 40.075 38.460 0.192 0.000 1.308 101 Y HN 0.641 nan 8.280 nan 0.000 0.456 102 L N 2.800 124.200 121.223 0.295 0.000 2.356 102 L HA 0.729 2.326 4.340 -4.572 0.000 0.277 102 L C -1.889 175.107 176.870 0.209 0.000 0.996 102 L CA -0.969 53.980 54.840 0.182 0.000 0.822 102 L CB 1.672 43.788 42.059 0.095 0.000 1.256 102 L HN 0.751 nan 8.230 nan 0.000 0.413 103 L N 4.728 126.052 121.223 0.169 0.000 2.305 103 L HA 0.676 2.273 4.340 -4.572 0.000 0.284 103 L C -0.563 176.335 176.870 0.046 0.000 1.013 103 L CA -0.439 54.450 54.840 0.082 0.000 0.819 103 L CB 1.741 43.807 42.059 0.011 0.000 1.227 103 L HN 0.679 nan 8.230 nan 0.000 0.417 104 E N 2.578 122.801 120.200 0.037 0.000 2.311 104 E HA 0.150 1.757 4.350 -4.572 0.000 0.281 104 E C -1.426 175.193 176.600 0.032 0.000 0.905 104 E CA -0.620 55.800 56.400 0.033 0.000 0.778 104 E CB 2.177 31.896 29.700 0.031 0.000 1.240 104 E HN 0.536 nan 8.360 nan 0.000 0.410 105 Q N 2.918 122.742 119.800 0.039 0.000 2.293 105 Q HA 0.288 1.885 4.340 -4.572 0.000 0.263 105 Q C -0.781 175.239 176.000 0.034 0.000 1.002 105 Q CA 0.521 56.353 55.803 0.048 0.000 0.910 105 Q CB 1.220 29.998 28.738 0.067 0.000 1.185 105 Q HN 0.606 nan 8.270 nan 0.000 0.401 106 T N 2.531 117.097 114.554 0.020 0.000 2.612 106 T HA 0.589 2.196 4.350 -4.572 0.000 0.296 106 T C -1.616 173.060 174.700 -0.039 0.000 1.148 106 T CA -0.708 61.389 62.100 -0.005 0.000 1.077 106 T CB 1.096 69.959 68.868 -0.008 0.000 1.591 106 T HN 0.492 nan 8.240 nan 0.000 0.479 107 R N 0.839 121.298 120.500 -0.068 0.000 2.686 107 R HA 0.682 2.279 4.340 -4.572 0.000 0.283 107 R C -1.149 175.091 176.300 -0.099 0.000 0.978 107 R CA -0.652 55.376 56.100 -0.120 0.000 0.897 107 R CB 1.119 31.325 30.300 -0.156 0.000 1.192 107 R HN 0.623 nan 8.270 nan 0.000 0.457 108 I N 2.651 123.152 120.570 -0.115 0.000 2.478 108 I HA 0.205 1.632 4.170 -4.572 0.000 0.287 108 I C -0.204 175.847 176.117 -0.109 0.000 1.042 108 I CA -0.736 60.503 61.300 -0.102 0.000 1.067 108 I CB 1.566 39.503 38.000 -0.104 0.000 1.233 108 I HN 0.504 nan 8.210 nan 0.000 0.431 109 N N 6.272 124.917 118.700 -0.092 0.000 2.727 109 N HA -0.208 1.789 4.740 -4.572 0.000 0.249 109 N C 0.323 175.772 175.510 -0.101 0.000 1.048 109 N CA 0.819 53.818 53.050 -0.084 0.000 0.714 109 N CB -0.633 37.808 38.487 -0.077 0.000 0.959 109 N HN 0.742 nan 8.380 nan 0.000 0.544 110 K N -3.947 116.377 120.400 -0.127 0.000 3.587 110 K HA -0.233 1.344 4.320 -4.572 0.000 0.294 110 K C 0.291 176.745 176.600 -0.245 0.000 1.279 110 K CA 1.124 57.312 56.287 -0.165 0.000 1.004 110 K CB -0.968 31.464 32.500 -0.112 0.000 1.276 110 K HN 0.417 nan 8.250 nan 0.000 0.459 111 R N 1.232 121.608 120.500 -0.205 0.000 2.390 111 R HA 0.233 1.830 4.340 -4.572 0.000 0.291 111 R C -0.186 175.939 176.300 -0.291 0.000 1.070 111 R CA -0.210 55.759 56.100 -0.218 0.000 1.014 111 R CB 0.322 30.543 30.300 -0.132 0.000 1.007 111 R HN 0.149 nan 8.270 nan 0.000 0.466 112 H N 1.074 119.921 119.070 -0.372 0.000 2.848 112 H HA 0.289 2.102 4.556 -4.572 0.000 0.317 112 H C -0.090 175.071 175.328 -0.279 0.000 1.046 112 H CA 0.224 56.007 56.048 -0.442 0.000 1.470 112 H CB 0.453 29.573 29.762 -1.070 0.000 1.483 112 H HN 0.334 nan 8.280 nan 0.000 0.548 113 V N 0.812 120.708 119.914 -0.030 0.000 3.120 113 V HA 0.555 1.932 4.120 -4.572 0.000 0.303 113 V C -0.986 175.125 176.094 0.028 0.000 1.238 113 V CA -0.999 61.301 62.300 -0.001 0.000 1.008 113 V CB 2.117 33.917 31.823 -0.038 0.000 1.064 113 V HN 0.423 nan 8.190 nan 0.000 0.434 114 V N 4.580 124.520 119.914 0.043 0.000 2.378 114 V HA 0.547 1.924 4.120 -4.572 0.000 0.288 114 V C -0.024 176.085 176.094 0.025 0.000 1.016 114 V CA -0.279 62.045 62.300 0.040 0.000 0.840 114 V CB 1.230 33.086 31.823 0.055 0.000 0.994 114 V HN 0.960 nan 8.190 nan 0.000 0.431 115 I N 3.099 123.681 120.570 0.020 0.000 2.359 115 I HA 0.649 2.076 4.170 -4.572 0.000 0.294 115 I C -0.318 175.815 176.117 0.027 0.000 0.987 115 I CA -0.472 60.839 61.300 0.019 0.000 1.225 115 I CB 1.816 39.825 38.000 0.015 0.000 1.366 115 I HN 0.223 nan 8.210 nan 0.000 0.466 116 V N 6.763 126.690 119.914 0.022 0.000 2.184 116 V HA 0.539 1.916 4.120 -4.572 0.000 0.262 116 V C 0.843 176.971 176.094 0.058 0.000 1.209 116 V CA -0.207 62.109 62.300 0.027 0.000 1.070 116 V CB -0.001 31.809 31.823 -0.022 0.000 1.244 116 V HN 0.911 nan 8.190 nan 0.000 0.477 117 A N 3.270 126.145 122.820 0.091 0.000 2.293 117 A HA 0.984 2.561 4.320 -4.572 0.000 0.302 117 A C 0.212 177.881 177.584 0.141 0.000 1.119 117 A CA 0.296 52.387 52.037 0.091 0.000 0.823 117 A CB 1.321 20.362 19.000 0.070 0.000 1.097 117 A HN 1.193 nan 8.150 nan 0.000 0.491 118 A N 0.772 123.661 122.820 0.114 0.000 2.564 118 A HA 0.608 2.185 4.320 -4.572 0.000 0.291 118 A C 0.076 177.713 177.584 0.089 0.000 1.102 118 A CA -0.556 51.564 52.037 0.137 0.000 0.660 118 A CB 0.336 19.444 19.000 0.180 0.000 1.283 118 A HN 0.638 nan 8.150 nan 0.000 0.430 119 N N -0.021 118.731 118.700 0.088 0.000 2.409 119 N HA 0.045 2.042 4.740 -4.572 0.000 0.174 119 N C 0.719 176.261 175.510 0.053 0.000 1.037 119 N CA 1.350 54.436 53.050 0.060 0.000 0.898 119 N CB 0.328 38.847 38.487 0.053 0.000 1.010 119 N HN 0.812 nan 8.380 nan 0.000 0.445 120 S N -0.465 115.273 115.700 0.064 0.000 2.677 120 S HA 0.386 2.113 4.470 -4.572 0.000 0.304 120 S C 0.297 174.912 174.600 0.025 0.000 1.108 120 S CA -0.685 57.541 58.200 0.044 0.000 0.944 120 S CB 2.249 65.479 63.200 0.050 0.000 1.127 120 S HN -0.230 nan 8.310 nan 0.000 0.511 121 D N 0.797 121.198 120.400 0.003 0.000 2.144 121 D HA -0.073 1.824 4.640 -4.572 0.000 0.200 121 D C 2.112 178.369 176.300 -0.071 0.000 0.978 121 D CA 1.636 55.622 54.000 -0.024 0.000 0.833 121 D CB -0.609 40.176 40.800 -0.025 0.000 0.961 121 D HN 0.518 nan 8.370 nan 0.000 0.470 122 V N -0.997 118.858 119.914 -0.098 0.000 2.515 122 V HA -0.024 1.353 4.120 -4.572 0.000 0.250 122 V C 2.212 178.071 176.094 -0.391 0.000 1.058 122 V CA 1.990 64.120 62.300 -0.283 0.000 1.064 122 V CB -1.305 30.363 31.823 -0.257 0.000 0.675 122 V HN 0.118 nan 8.190 nan 0.000 0.461 123 G N 0.390 109.157 108.800 -0.056 0.000 2.440 123 G HA2 -0.196 1.021 3.960 -4.572 0.000 0.218 123 G HA3 -0.196 1.021 3.960 -4.572 0.000 0.218 123 G C 1.569 176.556 174.900 0.145 0.000 1.154 123 G CA 1.412 46.622 45.100 0.185 0.000 0.767 123 G HN 0.475 nan 8.290 nan 0.000 0.552 124 V N 0.690 120.626 119.914 0.037 0.000 2.343 124 V HA -0.132 1.245 4.120 -4.572 0.000 0.247 124 V C 2.677 178.731 176.094 -0.066 0.000 1.051 124 V CA 1.636 63.933 62.300 -0.004 0.000 1.036 124 V CB -0.415 31.400 31.823 -0.013 0.000 0.654 124 V HN 0.370 nan 8.190 nan 0.000 0.451 125 L N -0.661 120.504 121.223 -0.098 0.000 2.017 125 L HA -0.166 1.431 4.340 -4.572 0.000 0.208 125 L C 2.387 179.316 176.870 0.099 0.000 1.073 125 L CA 2.147 56.948 54.840 -0.065 0.000 0.745 125 L CB -0.751 41.264 42.059 -0.073 0.000 0.894 125 L HN 0.319 nan 8.230 nan 0.000 0.432 126 Y N 0.213 120.582 120.300 0.115 0.000 2.181 126 Y HA -0.037 1.777 4.550 -4.561 0.000 0.288 126 Y C 2.596 178.255 175.900 -0.401 0.000 1.146 126 Y CA 0.809 58.920 58.100 0.019 0.000 1.164 126 Y CB -1.617 36.940 38.460 0.163 0.000 0.982 126 Y HN 0.255 nan 8.280 nan 0.000 0.515 127 G N -1.175 107.304 108.800 -0.534 0.000 2.422 127 G HA2 -0.216 1.001 3.960 -4.572 0.000 0.218 127 G HA3 -0.216 1.001 3.960 -4.572 0.000 0.218 127 G C 1.945 176.600 174.900 -0.409 0.000 1.146 127 G CA 1.214 45.700 45.100 -1.022 0.000 0.769 127 G HN 0.386 nan 8.290 nan 0.000 0.547 128 S N 0.501 116.067 115.700 -0.223 0.000 2.355 128 S HA -0.030 1.697 4.470 -4.572 0.000 0.222 128 S C 1.974 176.472 174.600 -0.170 0.000 1.031 128 S CA 0.842 58.920 58.200 -0.202 0.000 0.993 128 S CB -0.370 62.680 63.200 -0.250 0.000 0.859 128 S HN 0.308 nan 8.310 nan 0.000 0.453 129 F N 1.133 121.050 119.950 -0.055 0.000 2.171 129 F HA -0.111 1.682 4.527 -4.558 0.000 0.300 129 F C 2.305 178.106 175.800 0.001 0.000 1.090 129 F CA 1.496 59.497 58.000 0.002 0.000 1.293 129 F CB -0.715 38.299 39.000 0.024 0.000 1.013 129 F HN 0.393 nan 8.300 nan 0.000 0.486 130 H N -0.553 118.490 119.070 -0.045 0.000 2.357 130 H HA -0.154 1.663 4.556 -4.566 0.000 0.301 130 H C 2.483 177.779 175.328 -0.054 0.000 1.082 130 H CA 0.915 56.908 56.048 -0.090 0.000 1.342 130 H CB -0.127 29.536 29.762 -0.165 0.000 1.389 130 H HN 0.134 nan 8.280 nan 0.000 0.511 131 L N 1.154 122.351 121.223 -0.043 0.000 1.997 131 L HA -0.236 1.361 4.340 -4.572 0.000 0.216 131 L C 2.275 179.120 176.870 -0.041 0.000 1.074 131 L CA 1.657 56.444 54.840 -0.088 0.000 0.763 131 L CB -0.910 41.083 42.059 -0.109 0.000 0.890 131 L HN 0.446 nan 8.230 nan 0.000 0.434 132 L N -0.481 120.734 121.223 -0.013 0.000 2.042 132 L HA -0.259 1.338 4.340 -4.572 0.000 0.210 132 L C 2.830 179.758 176.870 0.096 0.000 1.076 132 L CA 1.613 56.463 54.840 0.017 0.000 0.749 132 L CB -0.601 41.497 42.059 0.066 0.000 0.893 132 L HN 0.324 nan 8.230 nan 0.000 0.432 133 R N 0.547 121.146 120.500 0.165 0.000 2.105 133 R HA -0.184 1.413 4.340 -4.572 0.000 0.239 133 R C 2.327 178.712 176.300 0.141 0.000 1.135 133 R CA 1.366 57.566 56.100 0.167 0.000 0.967 133 R CB -0.255 30.146 30.300 0.168 0.000 0.861 133 R HN 0.314 nan 8.270 nan 0.000 0.442 134 L N 0.317 121.614 121.223 0.124 0.000 2.042 134 L HA -0.228 1.369 4.340 -4.572 0.000 0.210 134 L C 2.394 179.351 176.870 0.144 0.000 1.076 134 L CA 1.403 56.309 54.840 0.110 0.000 0.749 134 L CB -0.345 41.738 42.059 0.040 0.000 0.893 134 L HN 0.308 nan 8.230 nan 0.000 0.432 135 I N -0.880 119.674 120.570 -0.025 0.000 2.233 135 I HA -0.275 1.152 4.170 -4.572 0.000 0.243 135 I C 2.575 178.674 176.117 -0.031 0.000 1.093 135 I CA 1.068 62.224 61.300 -0.239 0.000 1.380 135 I CB -0.319 37.396 38.000 -0.475 0.000 1.067 135 I HN 0.286 nan 8.210 nan 0.000 0.413 136 Q N 0.151 119.972 119.800 0.035 0.000 2.217 136 Q HA -0.229 1.368 4.340 -4.572 0.000 0.209 136 Q C 1.685 177.745 176.000 0.101 0.000 0.988 136 Q CA 2.167 58.018 55.803 0.079 0.000 0.878 136 Q CB -0.260 28.541 28.738 0.105 0.000 0.909 136 Q HN 0.624 nan 8.270 nan 0.000 0.424 137 T N -3.566 111.089 114.554 0.168 0.000 3.134 137 T HA 0.161 1.768 4.350 -4.572 0.000 0.260 137 T C -0.008 174.824 174.700 0.221 0.000 1.027 137 T CA -0.323 61.906 62.100 0.215 0.000 0.913 137 T CB 0.432 69.491 68.868 0.318 0.000 1.046 137 T HN 0.205 nan 8.240 nan 0.000 0.553 138 Q N 0.516 120.454 119.800 0.230 0.000 2.478 138 Q HA -0.176 1.421 4.340 -4.572 0.000 0.286 138 Q C -0.981 175.085 176.000 0.109 0.000 1.299 138 Q CA 0.451 56.386 55.803 0.220 0.000 0.826 138 Q CB -2.013 26.780 28.738 0.092 0.000 1.199 138 Q HN 0.776 nan 8.270 nan 0.000 0.451 139 H N -0.710 118.481 119.070 0.203 0.000 2.483 139 H HA 0.619 2.433 4.556 -4.571 0.000 0.338 139 H C 0.269 175.720 175.328 0.205 0.000 1.152 139 H CA 0.297 56.440 56.048 0.157 0.000 1.264 139 H CB 1.159 30.997 29.762 0.127 0.000 1.510 139 H HN 0.376 nan 8.280 nan 0.000 0.530 140 A N 2.848 125.798 122.820 0.216 0.000 2.401 140 A HA 0.200 1.777 4.320 -4.572 0.000 0.259 140 A C 0.758 178.449 177.584 0.178 0.000 1.103 140 A CA -0.417 51.708 52.037 0.147 0.000 0.789 140 A CB 0.101 19.136 19.000 0.059 0.000 1.035 140 A HN 0.851 nan 8.150 nan 0.000 0.491 141 L N 0.462 121.798 121.223 0.189 0.000 2.509 141 L HA 0.090 1.687 4.340 -4.572 0.000 0.222 141 L C 0.833 177.764 176.870 0.103 0.000 1.123 141 L CA 0.192 55.123 54.840 0.151 0.000 0.856 141 L CB -0.259 41.911 42.059 0.184 0.000 0.985 141 L HN 0.738 nan 8.230 nan 0.000 0.456 142 E N 1.473 121.722 120.200 0.082 0.000 2.366 142 E HA -0.006 1.601 4.350 -4.572 0.000 0.266 142 E C 0.227 176.863 176.600 0.061 0.000 1.015 142 E CA 0.160 56.599 56.400 0.066 0.000 0.906 142 E CB 0.267 29.992 29.700 0.043 0.000 0.979 142 E HN -0.046 nan 8.360 nan 0.000 0.443 143 K N 1.790 122.226 120.400 0.060 0.000 3.281 143 K HA -0.227 1.350 4.320 -4.572 0.000 0.295 143 K C -0.216 176.413 176.600 0.049 0.000 1.233 143 K CA 0.328 56.645 56.287 0.051 0.000 0.866 143 K CB -2.061 30.465 32.500 0.043 0.000 1.265 143 K HN 0.519 nan 8.250 nan 0.000 0.482 144 L N 1.214 122.469 121.223 0.055 0.000 2.499 144 L HA 0.196 1.793 4.340 -4.572 0.000 0.273 144 L C 0.233 177.125 176.870 0.036 0.000 1.195 144 L CA 0.989 55.856 54.840 0.046 0.000 0.882 144 L CB 0.920 43.005 42.059 0.044 0.000 1.133 144 L HN 0.221 nan 8.230 nan 0.000 0.483 145 S N 6.026 121.745 115.700 0.032 0.000 2.387 145 S HA 0.593 2.320 4.470 -4.572 0.000 0.211 145 S C -1.400 173.217 174.600 0.029 0.000 1.055 145 S CA -0.703 57.515 58.200 0.030 0.000 1.133 145 S CB -0.134 63.082 63.200 0.027 0.000 1.235 145 S HN 0.786 nan 8.310 nan 0.000 0.425 146 L N 2.076 123.318 121.223 0.031 0.000 2.434 146 L HA 1.038 2.635 4.340 -4.572 0.000 0.260 146 L C -0.632 176.266 176.870 0.047 0.000 0.983 146 L CA -0.453 54.410 54.840 0.037 0.000 0.820 146 L CB 1.868 43.951 42.059 0.041 0.000 1.361 146 L HN 0.415 nan 8.230 nan 0.000 0.410 147 S N 0.982 116.693 115.700 0.018 0.000 2.568 147 S HA 0.944 2.671 4.470 -4.572 0.000 0.293 147 S C -0.571 173.969 174.600 -0.099 0.000 1.089 147 S CA -0.408 57.763 58.200 -0.049 0.000 0.945 147 S CB 1.711 64.890 63.200 -0.036 0.000 1.077 147 S HN 1.176 nan 8.310 nan 0.000 0.485 148 S N -0.088 115.426 115.700 -0.309 0.000 2.550 148 S HA 0.821 2.548 4.470 -4.572 0.000 0.270 148 S C -1.508 172.980 174.600 -0.186 0.000 1.145 148 S CA -0.214 57.883 58.200 -0.172 0.000 0.852 148 S CB 1.335 64.535 63.200 0.000 0.000 1.119 148 S HN 1.797 nan 8.310 nan 0.000 0.465 149 A N 3.687 126.463 122.820 -0.073 0.000 2.515 149 A HA 0.892 2.469 4.320 -4.572 0.000 0.298 149 A C -3.097 174.103 177.584 -0.641 0.000 1.059 149 A CA -1.595 50.309 52.037 -0.221 0.000 0.698 149 A CB 1.452 20.345 19.000 -0.178 0.000 1.289 149 A HN 0.557 nan 8.150 nan 0.000 0.404 150 P HA 0.271 nan 4.420 nan 0.000 0.271 150 P C -0.122 176.755 177.300 -0.705 0.000 1.218 150 P CA -0.108 62.046 63.100 -1.577 0.000 0.780 150 P CB 0.842 31.616 31.700 -1.544 0.000 0.901 151 R N 1.004 121.186 120.500 -0.529 0.000 2.312 151 R HA 0.295 1.892 4.340 -4.572 0.000 0.205 151 R C 0.394 176.595 176.300 -0.165 0.000 0.904 151 R CA 0.160 56.102 56.100 -0.264 0.000 1.052 151 R CB -0.013 30.178 30.300 -0.182 0.000 1.014 151 R HN 0.432 nan 8.270 nan 0.000 0.503 152 L N -0.314 120.780 121.223 -0.215 0.000 2.370 152 L HA 0.294 1.891 4.340 -4.572 0.000 0.266 152 L C 0.747 177.516 176.870 -0.169 0.000 1.002 152 L CA -0.709 54.049 54.840 -0.138 0.000 0.818 152 L CB 2.382 44.380 42.059 -0.102 0.000 1.325 152 L HN -0.143 nan 8.230 nan 0.000 0.418 153 Q N 0.405 120.127 119.800 -0.130 0.000 1.994 153 Q HA 0.018 1.615 4.340 -4.572 0.000 0.198 153 Q C -0.078 175.741 176.000 -0.301 0.000 0.976 153 Q CA 1.093 56.755 55.803 -0.235 0.000 0.828 153 Q CB 0.242 28.826 28.738 -0.257 0.000 0.894 153 Q HN 0.450 nan 8.270 nan 0.000 0.432 154 H N 0.841 119.954 119.070 0.073 0.000 2.597 154 H HA 0.341 2.150 4.556 -4.579 0.000 0.303 154 H C -0.553 174.766 175.328 -0.015 0.000 1.057 154 H CA -0.128 55.971 56.048 0.084 0.000 1.261 154 H CB 0.508 30.344 29.762 0.124 0.000 1.397 154 H HN 0.094 nan 8.280 nan 0.000 0.461 155 R N 2.599 123.152 120.500 0.089 0.000 2.287 155 R HA 0.387 1.984 4.340 -4.572 0.000 0.316 155 R C -0.581 175.772 176.300 0.088 0.000 1.050 155 R CA -0.544 55.570 56.100 0.023 0.000 0.983 155 R CB 1.909 32.189 30.300 -0.034 0.000 1.140 155 R HN 0.251 nan 8.270 nan 0.000 0.528 156 V N 3.342 123.308 119.914 0.086 0.000 2.960 156 V HA 0.643 2.020 4.120 -4.572 0.000 0.315 156 V C -0.428 175.733 176.094 0.111 0.000 1.087 156 V CA -0.781 61.565 62.300 0.076 0.000 0.982 156 V CB 2.414 34.176 31.823 -0.102 0.000 1.039 156 V HN 0.448 nan 8.190 nan 0.000 0.437 157 V N 2.895 122.850 119.914 0.068 0.000 2.850 157 V HA 0.768 2.145 4.120 -4.572 0.000 0.315 157 V C -0.601 175.440 176.094 -0.088 0.000 1.064 157 V CA -0.790 61.446 62.300 -0.106 0.000 0.979 157 V CB 1.833 33.586 31.823 -0.116 0.000 1.039 157 V HN 0.879 nan 8.190 nan 0.000 0.452 158 N N 0.869 119.400 118.700 -0.282 0.000 2.284 158 N HA 0.525 2.522 4.740 -4.572 0.000 0.300 158 N C -1.161 174.146 175.510 -0.339 0.000 1.047 158 N CA -0.481 52.481 53.050 -0.146 0.000 0.821 158 N CB 1.315 39.720 38.487 -0.137 0.000 1.337 158 N HN 0.842 nan 8.380 nan 0.000 0.482 159 H N 0.858 119.947 119.070 0.033 0.000 2.589 159 H HA 0.197 2.027 4.556 -4.543 0.000 0.335 159 H C -0.302 175.154 175.328 0.213 0.000 1.019 159 H CA -0.417 55.656 56.048 0.043 0.000 1.213 159 H CB 1.393 31.318 29.762 0.271 0.000 1.472 159 H HN 0.468 nan 8.280 nan 0.000 0.508 160 W N 3.380 124.688 121.300 0.014 0.000 1.496 160 W HA 0.133 2.081 4.660 -4.521 0.000 0.422 160 W C -0.509 175.977 176.519 -0.056 0.000 0.638 160 W CA -0.870 56.441 57.345 -0.057 0.000 2.105 160 W CB -0.965 28.374 29.460 -0.202 0.000 1.639 160 W HN 0.457 nan 8.180 nan 0.000 0.304 161 D N 1.023 121.599 120.400 0.293 0.000 2.232 161 D HA 0.112 2.009 4.640 -4.572 0.000 0.242 161 D C 0.412 176.842 176.300 0.216 0.000 1.093 161 D CA -0.152 53.989 54.000 0.236 0.000 0.845 161 D CB 0.844 41.853 40.800 0.349 0.000 1.124 161 D HN -0.089 nan 8.370 nan 0.000 0.467 162 N N 1.333 120.126 118.700 0.155 0.000 2.483 162 N HA 0.197 2.194 4.740 -4.572 0.000 0.269 162 N C 1.276 176.901 175.510 0.192 0.000 1.209 162 N CA -0.423 52.707 53.050 0.133 0.000 0.969 162 N CB 1.144 39.708 38.487 0.129 0.000 1.173 162 N HN 0.316 nan 8.380 nan 0.000 0.475 163 L N 0.786 122.054 121.223 0.074 0.000 2.201 163 L HA -0.143 1.454 4.340 -4.572 0.000 0.212 163 L C 1.675 178.665 176.870 0.201 0.000 1.105 163 L CA 0.731 55.586 54.840 0.025 0.000 0.775 163 L CB -0.448 41.385 42.059 -0.376 0.000 0.913 163 L HN 0.568 nan 8.230 nan 0.000 0.440 164 N N 1.147 119.942 118.700 0.158 0.000 2.573 164 N HA -0.218 1.779 4.740 -4.572 0.000 0.187 164 N C 0.729 176.367 175.510 0.213 0.000 1.107 164 N CA 0.585 53.742 53.050 0.179 0.000 0.918 164 N CB -0.132 38.429 38.487 0.124 0.000 0.966 164 N HN 0.311 nan 8.380 nan 0.000 0.448 165 R N -2.741 117.914 120.500 0.258 0.000 3.584 165 R HA -0.090 1.507 4.340 -4.572 0.000 0.488 165 R C -0.968 175.407 176.300 0.125 0.000 0.869 165 R CA 0.696 56.922 56.100 0.210 0.000 1.325 165 R CB -2.275 28.131 30.300 0.176 0.000 2.015 165 R HN 0.094 nan 8.270 nan 0.000 0.489 166 V N 2.118 122.117 119.914 0.142 0.000 2.498 166 V HA 0.251 1.628 4.120 -4.572 0.000 0.279 166 V C 0.834 176.985 176.094 0.096 0.000 1.048 166 V CA -0.314 62.067 62.300 0.135 0.000 0.967 166 V CB 1.717 33.663 31.823 0.205 0.000 0.988 166 V HN -0.018 nan 8.190 nan 0.000 0.473 167 V N 4.630 124.553 119.914 0.015 0.000 2.432 167 V HA 0.258 1.635 4.120 -4.572 0.000 0.275 167 V C 0.351 176.277 176.094 -0.280 0.000 1.043 167 V CA -0.548 61.698 62.300 -0.089 0.000 0.925 167 V CB 1.368 33.123 31.823 -0.115 0.000 0.985 167 V HN 0.970 nan 8.190 nan 0.000 0.466 168 E N 5.736 125.649 120.200 -0.479 0.000 2.257 168 E HA 0.213 1.820 4.350 -4.572 0.000 0.278 168 E C -0.104 176.153 176.600 -0.571 0.000 1.049 168 E CA -0.570 55.174 56.400 -1.094 0.000 0.876 168 E CB 0.211 29.186 29.700 -1.208 0.000 1.035 168 E HN 0.514 nan 8.360 nan 0.000 0.419 169 R N 1.868 121.993 120.500 -0.625 0.000 3.267 169 R HA -0.141 1.456 4.340 -4.572 0.000 0.254 169 R C -0.591 175.085 176.300 -1.041 0.000 0.993 169 R CA 0.908 56.658 56.100 -0.583 0.000 0.670 169 R CB -2.502 27.720 30.300 -0.131 0.000 1.125 169 R HN 0.613 nan 8.270 nan 0.000 0.434 170 G N 0.105 108.224 108.800 -1.135 0.000 2.574 170 G HA2 0.555 1.772 3.960 -4.572 0.000 0.306 170 G HA3 0.555 1.772 3.960 -4.572 0.000 0.306 170 G C -0.266 174.136 174.900 -0.830 0.000 1.334 170 G CA -0.547 44.055 45.100 -0.830 0.000 0.954 170 G HN 0.207 nan 8.290 nan 0.000 0.500 171 Y N 1.257 121.501 120.300 -0.093 0.000 2.660 171 Y HA 0.473 2.275 4.550 -4.580 0.000 0.254 171 Y C 1.427 177.356 175.900 0.049 0.000 1.176 171 Y CA -0.389 57.689 58.100 -0.036 0.000 1.195 171 Y CB 1.048 39.496 38.460 -0.020 0.000 1.190 171 Y HN 0.652 nan 8.280 nan 0.000 0.535 172 A N -0.453 122.418 122.820 0.085 0.000 2.594 172 A HA 0.686 2.263 4.320 -4.572 0.000 0.292 172 A C 1.010 178.625 177.584 0.052 0.000 1.026 172 A CA 0.197 52.300 52.037 0.110 0.000 0.983 172 A CB -0.376 18.706 19.000 0.137 0.000 1.233 172 A HN 0.513 nan 8.150 nan 0.000 0.519 173 G N -0.645 108.170 108.800 0.025 0.000 2.483 173 G HA2 -0.006 1.211 3.960 -4.572 0.000 0.521 173 G HA3 -0.006 1.211 3.960 -4.572 0.000 0.521 173 G C -0.483 174.400 174.900 -0.028 0.000 1.278 173 G CA -0.577 44.525 45.100 0.002 0.000 0.965 173 G HN 0.614 nan 8.290 nan 0.000 0.504 174 L N 0.437 121.639 121.223 -0.035 0.000 2.464 174 L HA 0.487 2.084 4.340 -4.572 0.000 0.264 174 L C 1.727 178.530 176.870 -0.112 0.000 1.199 174 L CA 0.167 54.982 54.840 -0.041 0.000 0.818 174 L CB 1.083 43.128 42.059 -0.022 0.000 1.102 174 L HN 0.822 nan 8.230 nan 0.000 0.473 175 S N 0.500 116.131 115.700 -0.115 0.000 2.558 175 S HA 0.035 1.762 4.470 -4.572 0.000 0.291 175 S C 1.138 175.453 174.600 -0.475 0.000 1.306 175 S CA -0.418 57.606 58.200 -0.293 0.000 1.056 175 S CB 0.343 63.460 63.200 -0.138 0.000 0.836 175 S HN 0.497 nan 8.310 nan 0.000 0.504 176 L N 3.232 123.910 121.223 -0.907 0.000 2.275 176 L HA 0.019 1.616 4.340 -4.572 0.000 0.215 176 L C 0.470 177.028 176.870 -0.521 0.000 1.119 176 L CA 0.481 54.838 54.840 -0.805 0.000 0.790 176 L CB -0.222 41.189 42.059 -1.079 0.000 0.919 176 L HN 0.687 nan 8.230 nan 0.000 0.443 177 W N 0.208 121.348 121.300 -0.267 0.000 2.437 177 W HA 0.175 2.084 4.660 -4.584 0.000 0.312 177 W C 0.120 176.195 176.519 -0.740 0.000 1.242 177 W CA -1.052 55.889 57.345 -0.673 0.000 1.340 177 W CB 0.058 28.777 29.460 -1.234 0.000 1.327 177 W HN -0.125 nan 8.180 nan 0.000 0.476 178 D N 3.432 123.745 120.400 -0.146 0.000 2.563 178 D HA 0.093 1.990 4.640 -4.572 0.000 0.222 178 D C 0.591 176.901 176.300 0.016 0.000 1.145 178 D CA -0.530 53.450 54.000 -0.033 0.000 1.001 178 D CB -0.040 40.828 40.800 0.113 0.000 1.049 178 D HN 0.384 nan 8.370 nan 0.000 0.515 179 W N 1.993 123.416 121.300 0.205 0.000 2.331 179 W HA -0.075 1.840 4.660 -4.575 0.000 0.291 179 W C 2.441 178.987 176.519 0.044 0.000 1.214 179 W CA 0.621 58.043 57.345 0.128 0.000 1.228 179 W CB -0.220 29.375 29.460 0.223 0.000 1.135 179 W HN 0.447 nan 8.180 nan 0.000 0.537 180 G N -0.148 108.818 108.800 0.278 0.000 2.448 180 G HA2 -0.269 0.948 3.960 -4.572 0.000 0.219 180 G HA3 -0.269 0.948 3.960 -4.572 0.000 0.219 180 G C 1.431 176.405 174.900 0.123 0.000 1.127 180 G CA 1.429 46.628 45.100 0.164 0.000 0.766 180 G HN 0.339 nan 8.290 nan 0.000 0.552 181 S N -0.907 114.884 115.700 0.151 0.000 2.540 181 S HA 0.411 2.138 4.470 -4.572 0.000 0.218 181 S C 0.701 175.409 174.600 0.181 0.000 0.977 181 S CA -0.552 57.746 58.200 0.163 0.000 0.918 181 S CB 0.083 63.418 63.200 0.225 0.000 0.806 181 S HN 0.136 nan 8.310 nan 0.000 0.496 182 L N 2.181 123.496 121.223 0.153 0.000 2.399 182 L HA 0.386 1.983 4.340 -4.572 0.000 0.266 182 L C -1.551 175.359 176.870 0.066 0.000 1.114 182 L CA -2.132 52.775 54.840 0.112 0.000 0.804 182 L CB 1.070 43.182 42.059 0.089 0.000 1.146 182 L HN -0.011 nan 8.230 nan 0.000 0.451 183 P HA 0.049 nan 4.420 nan 0.000 0.245 183 P C 0.441 177.787 177.300 0.077 0.000 1.206 183 P CA 0.509 63.632 63.100 0.039 0.000 0.781 183 P CB 0.164 31.874 31.700 0.016 0.000 0.994 184 N N -0.599 118.161 118.700 0.099 0.000 2.104 184 N HA -0.181 1.816 4.740 -4.572 0.000 0.190 184 N C 0.337 175.967 175.510 0.201 0.000 1.024 184 N CA 0.993 54.115 53.050 0.121 0.000 0.853 184 N CB -0.930 37.617 38.487 0.101 0.000 1.008 184 N HN 0.187 nan 8.380 nan 0.000 0.424 185 Y N 1.621 121.962 120.300 0.068 0.000 2.454 185 Y HA 0.361 2.169 4.550 -4.570 0.000 0.345 185 Y C -0.746 175.242 175.900 0.147 0.000 0.970 185 Y CA -1.424 56.723 58.100 0.079 0.000 1.204 185 Y CB 0.125 38.618 38.460 0.055 0.000 1.122 185 Y HN -0.056 nan 8.280 nan 0.000 0.514 186 L N 7.176 128.361 121.223 -0.063 0.000 2.387 186 L HA 0.422 2.019 4.340 -4.572 0.000 0.267 186 L C 0.744 177.348 176.870 -0.443 0.000 1.197 186 L CA -0.611 54.178 54.840 -0.085 0.000 1.070 186 L CB -0.425 41.660 42.059 0.044 0.000 1.349 186 L HN 0.723 nan 8.230 nan 0.000 0.422 187 A N 3.923 126.171 122.820 -0.952 0.000 2.498 187 A HA 0.249 1.826 4.320 -4.572 0.000 0.239 187 A C -1.177 176.109 177.584 -0.497 0.000 1.068 187 A CA -0.907 50.448 52.037 -1.136 0.000 0.766 187 A CB 0.112 18.317 19.000 -1.325 0.000 1.003 187 A HN 0.459 nan 8.150 nan 0.000 0.497 188 P HA -0.198 nan 4.420 nan 0.000 0.217 188 P C 1.596 178.934 177.300 0.062 0.000 1.151 188 P CA 1.450 64.540 63.100 -0.016 0.000 0.849 188 P CB 0.053 31.773 31.700 0.032 0.000 0.787 189 R N -1.532 118.944 120.500 -0.040 0.000 2.159 189 R HA -0.183 1.414 4.340 -4.572 0.000 0.237 189 R C 2.024 178.537 176.300 0.355 0.000 1.131 189 R CA 1.257 57.450 56.100 0.155 0.000 0.982 189 R CB -0.526 29.755 30.300 -0.032 0.000 0.868 189 R HN 0.172 nan 8.270 nan 0.000 0.453 190 Y N -0.228 120.250 120.300 0.298 0.000 2.224 190 Y HA -0.131 1.674 4.550 -4.574 0.000 0.289 190 Y C 2.471 178.688 175.900 0.529 0.000 1.146 190 Y CA 1.367 59.741 58.100 0.457 0.000 1.182 190 Y CB -0.909 37.704 38.460 0.254 0.000 0.983 190 Y HN 0.028 nan 8.280 nan 0.000 0.524 191 T N -0.274 114.561 114.554 0.468 0.000 2.821 191 T HA -0.135 1.472 4.350 -4.572 0.000 0.267 191 T C 1.375 176.161 174.700 0.143 0.000 1.046 191 T CA 1.507 63.801 62.100 0.324 0.000 1.139 191 T CB -0.293 68.748 68.868 0.287 0.000 0.871 191 T HN 0.287 nan 8.240 nan 0.000 0.454 192 D N 0.239 120.776 120.400 0.230 0.000 2.144 192 D HA -0.077 1.820 4.640 -4.572 0.000 0.199 192 D C 1.671 177.941 176.300 -0.051 0.000 0.984 192 D CA 0.849 54.914 54.000 0.108 0.000 0.834 192 D CB -0.359 40.602 40.800 0.267 0.000 0.955 192 D HN 0.471 nan 8.370 nan 0.000 0.465 193 Y N 1.733 122.108 120.300 0.125 0.000 2.181 193 Y HA -0.206 1.600 4.550 -4.573 0.000 0.288 193 Y C 2.286 178.096 175.900 -0.150 0.000 1.146 193 Y CA 1.895 59.996 58.100 0.001 0.000 1.164 193 Y CB -0.263 38.475 38.460 0.465 0.000 0.982 193 Y HN -0.052 nan 8.280 nan 0.000 0.515 194 A N 0.655 123.460 122.820 -0.025 0.000 1.902 194 A HA -0.198 1.379 4.320 -4.572 0.000 0.217 194 A C 2.272 179.547 177.584 -0.516 0.000 1.181 194 A CA 1.870 53.739 52.037 -0.280 0.000 0.623 194 A CB -0.630 18.349 19.000 -0.035 0.000 0.818 194 A HN 0.565 nan 8.150 nan 0.000 0.443 195 R N -0.722 119.414 120.500 -0.607 0.000 2.092 195 R HA 0.000 1.597 4.340 -4.572 0.000 0.231 195 R C 1.978 178.006 176.300 -0.454 0.000 1.119 195 R CA 1.410 57.242 56.100 -0.447 0.000 0.970 195 R CB -0.462 29.706 30.300 -0.220 0.000 0.864 195 R HN 0.570 nan 8.270 nan 0.000 0.440 196 I N 1.229 121.432 120.570 -0.610 0.000 2.127 196 I HA -0.344 1.083 4.170 -4.572 0.000 0.241 196 I C 1.894 177.698 176.117 -0.522 0.000 1.075 196 I CA 1.339 62.162 61.300 -0.795 0.000 1.334 196 I CB -0.300 36.957 38.000 -1.239 0.000 1.040 196 I HN 0.212 nan 8.210 nan 0.000 0.405 197 N N 0.762 119.186 118.700 -0.461 0.000 2.216 197 N HA -0.086 1.911 4.740 -4.572 0.000 0.183 197 N C 1.892 177.298 175.510 -0.172 0.000 1.017 197 N CA 1.477 54.395 53.050 -0.220 0.000 0.861 197 N CB -0.288 38.069 38.487 -0.217 0.000 0.986 197 N HN 0.345 nan 8.380 nan 0.000 0.428 198 A N 1.142 123.853 122.820 -0.182 0.000 1.972 198 A HA -0.147 1.430 4.320 -4.572 0.000 0.219 198 A C 2.373 179.692 177.584 -0.441 0.000 1.169 198 A CA 1.906 53.929 52.037 -0.024 0.000 0.635 198 A CB -0.716 18.457 19.000 0.288 0.000 0.810 198 A HN 0.449 nan 8.150 nan 0.000 0.446 199 S N -0.300 114.781 115.700 -1.032 0.000 2.440 199 S HA -0.052 1.675 4.470 -4.572 0.000 0.238 199 S C 1.526 175.793 174.600 -0.555 0.000 1.010 199 S CA 1.480 58.876 58.200 -1.341 0.000 0.972 199 S CB -0.491 62.231 63.200 -0.797 0.000 0.774 199 S HN 0.481 nan 8.310 nan 0.000 0.501 200 L N 0.216 121.194 121.223 -0.407 0.000 2.585 200 L HA 0.383 1.980 4.340 -4.572 0.000 0.226 200 L C 1.874 178.498 176.870 -0.410 0.000 1.113 200 L CA 0.337 54.922 54.840 -0.425 0.000 0.876 200 L CB -0.327 41.542 42.059 -0.317 0.000 1.072 200 L HN 0.577 nan 8.230 nan 0.000 0.468 201 G N 1.037 109.598 108.800 -0.399 0.000 2.157 201 G HA2 -0.270 0.947 3.960 -4.572 0.000 0.239 201 G HA3 -0.270 0.947 3.960 -4.572 0.000 0.239 201 G C 0.246 175.053 174.900 -0.155 0.000 0.982 201 G CA -0.357 44.418 45.100 -0.541 0.000 0.650 201 G HN 0.240 nan 8.290 nan 0.000 0.527 202 I N 1.843 122.388 120.570 -0.043 0.000 2.662 202 I HA 0.110 1.537 4.170 -4.572 0.000 0.285 202 I C 1.171 177.388 176.117 0.167 0.000 1.161 202 I CA 0.451 61.792 61.300 0.069 0.000 1.415 202 I CB 0.611 38.673 38.000 0.103 0.000 1.385 202 I HN 0.366 nan 8.210 nan 0.000 0.552 203 N N 4.600 123.428 118.700 0.213 0.000 2.235 203 N HA 0.276 2.273 4.740 -4.572 0.000 0.231 203 N C -0.225 175.490 175.510 0.341 0.000 1.177 203 N CA -0.299 52.933 53.050 0.304 0.000 0.874 203 N CB 1.118 39.802 38.487 0.328 0.000 1.097 203 N HN 0.572 nan 8.380 nan 0.000 0.518 204 G N -1.553 107.434 108.800 0.312 0.000 2.673 204 G HA2 0.525 1.742 3.960 -4.572 0.000 0.292 204 G HA3 0.525 1.742 3.960 -4.572 0.000 0.292 204 G C -1.963 173.132 174.900 0.324 0.000 1.450 204 G CA -0.549 44.810 45.100 0.433 0.000 0.837 204 G HN 0.091 nan 8.290 nan 0.000 0.505 205 T N -0.607 114.216 114.554 0.448 0.000 3.105 205 T HA 0.479 2.086 4.350 -4.572 0.000 0.321 205 T C -1.225 173.740 174.700 0.441 0.000 1.135 205 T CA -0.308 62.029 62.100 0.395 0.000 1.053 205 T CB 1.476 70.603 68.868 0.432 0.000 1.133 205 T HN 0.802 nan 8.240 nan 0.000 0.463 206 V N 7.819 127.958 119.914 0.374 0.000 2.318 206 V HA 0.331 1.708 4.120 -4.572 0.000 0.271 206 V C 1.616 177.967 176.094 0.429 0.000 1.030 206 V CA -0.479 62.049 62.300 0.380 0.000 0.844 206 V CB 0.491 32.503 31.823 0.316 0.000 1.015 206 V HN 0.892 nan 8.190 nan 0.000 0.460 207 I N 1.460 122.228 120.570 0.330 0.000 3.578 207 I HA 0.226 1.653 4.170 -4.572 0.000 0.295 207 I C 0.684 177.067 176.117 0.443 0.000 1.280 207 I CA 0.182 61.652 61.300 0.284 0.000 1.347 207 I CB -0.106 37.736 38.000 -0.264 0.000 1.051 207 I HN 0.675 nan 8.210 nan 0.000 0.460 208 N N 1.201 120.117 118.700 0.361 0.000 2.312 208 N HA 0.204 2.201 4.740 -4.572 0.000 0.296 208 N C -0.935 174.741 175.510 0.276 0.000 1.193 208 N CA -0.736 52.506 53.050 0.320 0.000 0.773 208 N CB 0.668 39.280 38.487 0.208 0.000 1.435 208 N HN -0.054 nan 8.380 nan 0.000 0.484 209 N N -0.058 118.767 118.700 0.209 0.000 2.407 209 N HA -0.051 1.946 4.740 -4.572 0.000 0.250 209 N C 1.507 177.041 175.510 0.041 0.000 1.236 209 N CA -0.075 53.049 53.050 0.123 0.000 0.879 209 N CB 0.876 39.378 38.487 0.025 0.000 1.088 209 N HN 0.504 nan 8.380 nan 0.000 0.450 210 V N 0.526 120.394 119.914 -0.076 0.000 2.626 210 V HA -0.026 1.351 4.120 -4.572 0.000 0.252 210 V C 0.540 176.562 176.094 -0.119 0.000 1.067 210 V CA 1.017 63.253 62.300 -0.106 0.000 1.081 210 V CB -0.505 31.201 31.823 -0.195 0.000 0.686 210 V HN 0.495 nan 8.190 nan 0.000 0.468 211 N N 2.740 121.341 118.700 -0.166 0.000 2.549 211 N HA 0.499 2.496 4.740 -4.572 0.000 0.267 211 N C 0.043 175.531 175.510 -0.035 0.000 1.182 211 N CA 0.747 53.747 53.050 -0.083 0.000 1.019 211 N CB 0.837 39.275 38.487 -0.082 0.000 1.380 211 N HN 0.703 nan 8.380 nan 0.000 0.505 212 A N 1.186 123.997 122.820 -0.015 0.000 2.327 212 A HA 0.194 1.771 4.320 -4.572 0.000 0.283 212 A C 0.168 177.747 177.584 -0.009 0.000 1.127 212 A CA -0.562 51.474 52.037 -0.001 0.000 0.810 212 A CB 0.656 19.667 19.000 0.019 0.000 1.066 212 A HN 0.391 nan 8.150 nan 0.000 0.492 213 D N 3.007 123.382 120.400 -0.041 0.000 2.280 213 D HA 0.299 2.196 4.640 -4.572 0.000 0.236 213 D C -1.498 174.744 176.300 -0.096 0.000 1.082 213 D CA -1.733 52.211 54.000 -0.094 0.000 0.834 213 D CB 1.561 42.257 40.800 -0.172 0.000 1.100 213 D HN 0.235 nan 8.370 nan 0.000 0.486 214 P HA -0.126 nan 4.420 nan 0.000 0.221 214 P C 1.119 178.420 177.300 0.002 0.000 1.145 214 P CA 0.605 63.721 63.100 0.026 0.000 0.795 214 P CB 0.454 32.145 31.700 -0.014 0.000 0.775 215 R N 0.272 120.640 120.500 -0.220 0.000 2.159 215 R HA -0.079 1.518 4.340 -4.572 0.000 0.237 215 R C 2.279 178.413 176.300 -0.276 0.000 1.131 215 R CA 1.482 57.397 56.100 -0.307 0.000 0.982 215 R CB -1.009 28.938 30.300 -0.589 0.000 0.868 215 R HN 0.231 nan 8.270 nan 0.000 0.453 216 V N -1.243 118.487 119.914 -0.306 0.000 2.720 216 V HA -0.135 1.242 4.120 -4.572 0.000 0.256 216 V C 1.619 177.710 176.094 -0.006 0.000 1.082 216 V CA 1.589 63.767 62.300 -0.203 0.000 1.101 216 V CB -0.527 31.203 31.823 -0.155 0.000 0.693 216 V HN 0.228 nan 8.190 nan 0.000 0.479 217 L N 1.656 122.940 121.223 0.101 0.000 2.592 217 L HA 0.240 1.837 4.340 -4.572 0.000 0.227 217 L C 1.372 178.324 176.870 0.136 0.000 1.127 217 L CA 0.441 55.331 54.840 0.083 0.000 0.884 217 L CB -0.342 41.747 42.059 0.050 0.000 1.065 217 L HN 0.533 nan 8.230 nan 0.000 0.457 218 S N -1.888 114.004 115.700 0.320 0.000 2.617 218 S HA 0.055 1.782 4.470 -4.572 0.000 0.269 218 S C 0.704 175.370 174.600 0.110 0.000 1.292 218 S CA -0.557 57.835 58.200 0.320 0.000 1.010 218 S CB 1.760 65.149 63.200 0.316 0.000 0.944 218 S HN 0.156 nan 8.310 nan 0.000 0.536 219 D N 0.543 120.993 120.400 0.084 0.000 2.133 219 D HA -0.218 1.679 4.640 -4.572 0.000 0.195 219 D C 2.057 178.311 176.300 -0.078 0.000 0.997 219 D CA 1.906 55.911 54.000 0.007 0.000 0.840 219 D CB -0.112 40.746 40.800 0.096 0.000 0.947 219 D HN 0.775 nan 8.370 nan 0.000 0.452 220 Q N -0.954 118.837 119.800 -0.015 0.000 2.062 220 Q HA -0.236 1.361 4.340 -4.572 0.000 0.209 220 Q C 1.766 177.600 176.000 -0.275 0.000 0.996 220 Q CA 1.692 57.424 55.803 -0.119 0.000 0.859 220 Q CB -0.234 28.454 28.738 -0.084 0.000 0.920 220 Q HN 0.398 nan 8.270 nan 0.000 0.415 221 F N -0.127 119.732 119.950 -0.153 0.000 2.335 221 F HA -0.004 1.780 4.527 -4.572 0.000 0.296 221 F C 1.998 177.660 175.800 -0.230 0.000 1.091 221 F CA 0.446 58.321 58.000 -0.208 0.000 1.399 221 F CB 0.035 38.853 39.000 -0.303 0.000 1.067 221 F HN 0.059 nan 8.300 nan 0.000 0.520 222 L N -0.311 120.798 121.223 -0.189 0.000 2.079 222 L HA -0.274 1.323 4.340 -4.572 0.000 0.210 222 L C 2.334 178.819 176.870 -0.642 0.000 1.081 222 L CA 1.417 55.974 54.840 -0.472 0.000 0.752 222 L CB -0.717 40.903 42.059 -0.732 0.000 0.896 222 L HN 0.223 nan 8.230 nan 0.000 0.433 223 Q N -0.076 119.368 119.800 -0.592 0.000 2.124 223 Q HA -0.220 1.377 4.340 -4.572 0.000 0.202 223 Q C 2.197 178.110 176.000 -0.146 0.000 0.977 223 Q CA 1.423 57.033 55.803 -0.322 0.000 0.850 223 Q CB -0.057 28.595 28.738 -0.145 0.000 0.901 223 Q HN 0.503 nan 8.270 nan 0.000 0.429 224 K N 0.507 120.849 120.400 -0.098 0.000 2.025 224 K HA -0.097 1.480 4.320 -4.572 0.000 0.207 224 K C 2.049 178.672 176.600 0.039 0.000 1.049 224 K CA 1.124 57.435 56.287 0.039 0.000 0.933 224 K CB -0.137 32.501 32.500 0.231 0.000 0.714 224 K HN 0.156 nan 8.250 nan 0.000 0.438 225 I N 1.434 122.050 120.570 0.078 0.000 2.264 225 I HA -0.286 1.141 4.170 -4.572 0.000 0.248 225 I C 2.531 178.578 176.117 -0.117 0.000 1.111 225 I CA 1.076 62.381 61.300 0.010 0.000 1.382 225 I CB -0.399 37.633 38.000 0.052 0.000 1.060 225 I HN 0.162 nan 8.210 nan 0.000 0.418 226 A N 0.728 123.481 122.820 -0.112 0.000 1.940 226 A HA -0.190 1.387 4.320 -4.572 0.000 0.219 226 A C 2.542 180.067 177.584 -0.098 0.000 1.176 226 A CA 1.899 53.893 52.037 -0.071 0.000 0.631 226 A CB -0.809 18.191 19.000 -0.000 0.000 0.814 226 A HN 0.440 nan 8.150 nan 0.000 0.446 227 A N -0.363 122.386 122.820 -0.119 0.000 1.933 227 A HA 0.005 1.582 4.320 -4.572 0.000 0.218 227 A C 2.151 179.568 177.584 -0.280 0.000 1.175 227 A CA 1.407 53.363 52.037 -0.135 0.000 0.628 227 A CB -0.515 18.428 19.000 -0.095 0.000 0.814 227 A HN 0.482 nan 8.150 nan 0.000 0.444 228 L N -0.880 120.063 121.223 -0.466 0.000 2.027 228 L HA -0.165 1.432 4.340 -4.572 0.000 0.206 228 L C 3.129 179.411 176.870 -0.980 0.000 1.074 228 L CA 1.006 55.300 54.840 -0.910 0.000 0.745 228 L CB -0.665 40.752 42.059 -1.070 0.000 0.898 228 L HN 0.422 nan 8.230 nan 0.000 0.433 229 A N 0.217 122.748 122.820 -0.482 0.000 1.917 229 A HA -0.272 1.305 4.320 -4.572 0.000 0.219 229 A C 1.908 179.443 177.584 -0.081 0.000 1.182 229 A CA 2.226 54.147 52.037 -0.194 0.000 0.633 229 A CB -0.625 18.355 19.000 -0.034 0.000 0.819 229 A HN 0.397 nan 8.150 nan 0.000 0.448 230 D N 0.053 120.400 120.400 -0.089 0.000 2.123 230 D HA -0.080 1.817 4.640 -4.572 0.000 0.196 230 D C 2.187 178.520 176.300 0.055 0.000 0.992 230 D CA 1.604 55.605 54.000 0.002 0.000 0.833 230 D CB -0.524 40.277 40.800 0.001 0.000 0.954 230 D HN 0.460 nan 8.370 nan 0.000 0.455 231 A N 0.222 123.032 122.820 -0.016 0.000 1.969 231 A HA -0.132 1.445 4.320 -4.572 0.000 0.218 231 A C 1.762 179.612 177.584 0.443 0.000 1.169 231 A CA 0.899 53.030 52.037 0.156 0.000 0.635 231 A CB -0.580 18.474 19.000 0.090 0.000 0.810 231 A HN 0.112 nan 8.150 nan 0.000 0.445 232 F N -0.626 119.466 119.950 0.236 0.000 2.473 232 F HA 0.163 1.954 4.527 -4.559 0.000 0.294 232 F C 2.148 178.127 175.800 0.299 0.000 1.103 232 F CA 0.254 58.436 58.000 0.303 0.000 1.442 232 F CB -0.911 38.236 39.000 0.245 0.000 1.097 232 F HN 0.231 nan 8.300 nan 0.000 0.547 233 R N 1.220 121.946 120.500 0.377 0.000 2.096 233 R HA -0.159 1.438 4.340 -4.572 0.000 0.240 233 R C -0.693 175.721 176.300 0.191 0.000 1.139 233 R CA 2.024 58.273 56.100 0.248 0.000 0.952 233 R CB -1.479 28.917 30.300 0.159 0.000 0.854 233 R HN 0.115 nan 8.270 nan 0.000 0.436 234 P HA -0.138 nan 4.420 nan 0.000 0.228 234 P C 0.041 177.239 177.300 -0.170 0.000 1.151 234 P CA 1.308 64.377 63.100 -0.051 0.000 0.770 234 P CB -0.045 31.566 31.700 -0.149 0.000 0.786 235 Y N -0.543 119.868 120.300 0.185 0.000 2.493 235 Y HA 0.404 2.212 4.550 -4.570 0.000 0.275 235 Y C 1.890 177.907 175.900 0.196 0.000 1.183 235 Y CA 0.439 58.657 58.100 0.196 0.000 1.258 235 Y CB -0.384 38.212 38.460 0.226 0.000 1.108 235 Y HN 0.053 nan 8.280 nan 0.000 0.521 236 G N 0.801 109.754 108.800 0.256 0.000 2.162 236 G HA2 -0.313 0.904 3.960 -4.572 0.000 0.260 236 G HA3 -0.313 0.904 3.960 -4.572 0.000 0.260 236 G C 0.083 175.167 174.900 0.307 0.000 0.976 236 G CA 0.146 45.390 45.100 0.240 0.000 0.655 236 G HN 0.346 nan 8.290 nan 0.000 0.533 237 I N 1.083 121.850 120.570 0.329 0.000 2.304 237 I HA 0.301 1.728 4.170 -4.572 0.000 0.291 237 I C 0.687 177.007 176.117 0.337 0.000 1.018 237 I CA -0.562 60.932 61.300 0.323 0.000 1.260 237 I CB 1.150 39.300 38.000 0.250 0.000 1.390 237 I HN -0.056 nan 8.210 nan 0.000 0.475 238 K N 5.394 125.985 120.400 0.318 0.000 2.185 238 K HA 0.404 1.981 4.320 -4.572 0.000 0.271 238 K C -0.321 176.403 176.600 0.207 0.000 1.013 238 K CA -0.835 55.569 56.287 0.195 0.000 0.943 238 K CB 1.214 33.756 32.500 0.071 0.000 0.998 238 K HN 0.371 nan 8.250 nan 0.000 0.468 239 M N 2.854 122.470 119.600 0.027 0.000 2.216 239 M HA 0.232 1.969 4.480 -4.572 0.000 0.356 239 M C -1.629 174.403 176.300 -0.448 0.000 1.205 239 M CA 0.227 55.552 55.300 0.041 0.000 1.122 239 M CB 0.284 32.961 32.600 0.128 0.000 1.571 239 M HN 0.391 nan 8.290 nan 0.000 0.464 240 Y N 4.216 124.472 120.300 -0.073 0.000 2.570 240 Y HA 0.754 2.571 4.550 -4.555 0.000 0.345 240 Y C -1.037 174.956 175.900 0.154 0.000 1.014 240 Y CA -0.887 57.106 58.100 -0.179 0.000 1.063 240 Y CB 1.639 40.099 38.460 0.000 0.000 1.272 240 Y HN 0.585 nan 8.280 nan 0.000 0.477 241 L N 1.023 122.535 121.223 0.480 0.000 2.370 241 L HA 0.555 2.152 4.340 -4.572 0.000 0.266 241 L C -0.515 176.578 176.870 0.371 0.000 1.002 241 L CA -0.878 54.230 54.840 0.445 0.000 0.818 241 L CB 2.336 44.680 42.059 0.476 0.000 1.325 241 L HN 0.552 nan 8.230 nan 0.000 0.418 242 S N 2.447 118.298 115.700 0.251 0.000 2.545 242 S HA 0.559 2.286 4.470 -4.572 0.000 0.275 242 S C -0.325 174.322 174.600 0.077 0.000 1.299 242 S CA -0.456 57.843 58.200 0.165 0.000 1.048 242 S CB 0.747 64.028 63.200 0.136 0.000 0.938 242 S HN 0.398 nan 8.310 nan 0.000 0.496 243 I N 0.634 121.204 120.570 0.000 0.000 2.693 243 I HA 0.618 2.045 4.170 -4.572 0.000 0.303 243 I C -0.399 175.753 176.117 0.059 0.000 1.025 243 I CA -0.924 60.358 61.300 -0.029 0.000 1.086 243 I CB 1.518 39.362 38.000 -0.259 0.000 1.268 243 I HN 0.464 nan 8.210 nan 0.000 0.440 244 N N 2.637 121.422 118.700 0.142 0.000 2.422 244 N HA 0.289 2.286 4.740 -4.572 0.000 0.266 244 N C 0.195 175.886 175.510 0.302 0.000 1.007 244 N CA -0.524 52.627 53.050 0.168 0.000 0.941 244 N CB 0.657 39.215 38.487 0.118 0.000 1.115 244 N HN 0.717 nan 8.380 nan 0.000 0.492 245 F N 3.350 123.380 119.950 0.134 0.000 2.269 245 F HA 0.001 1.785 4.527 -4.573 0.000 0.301 245 F C 1.276 177.242 175.800 0.278 0.000 1.082 245 F CA 1.082 59.211 58.000 0.216 0.000 1.360 245 F CB 0.181 39.268 39.000 0.145 0.000 1.041 245 F HN 0.573 nan 8.300 nan 0.000 0.512 246 N N -0.161 118.708 118.700 0.281 0.000 2.421 246 N HA -0.019 1.978 4.740 -4.572 0.000 0.201 246 N C 1.656 177.114 175.510 -0.086 0.000 1.198 246 N CA 0.463 53.581 53.050 0.114 0.000 0.838 246 N CB -0.209 38.373 38.487 0.158 0.000 1.011 246 N HN 0.130 nan 8.380 nan 0.000 0.463 247 S N 1.193 116.819 115.700 -0.123 0.000 2.374 247 S HA -0.114 1.613 4.470 -4.572 0.000 0.227 247 S C -0.685 173.400 174.600 -0.859 0.000 1.037 247 S CA 1.220 59.221 58.200 -0.331 0.000 1.024 247 S CB -0.839 62.185 63.200 -0.294 0.000 0.861 247 S HN 0.388 nan 8.310 nan 0.000 0.456 248 P HA -0.107 nan 4.420 nan 0.000 0.216 248 P C 1.198 178.051 177.300 -0.746 0.000 1.150 248 P CA 1.291 63.292 63.100 -1.832 0.000 0.843 248 P CB -0.029 30.829 31.700 -1.403 0.000 0.787 249 R N -0.808 119.443 120.500 -0.415 0.000 2.127 249 R HA 0.160 1.757 4.340 -4.572 0.000 0.217 249 R C 2.317 178.552 176.300 -0.109 0.000 1.074 249 R CA 1.050 57.039 56.100 -0.186 0.000 0.991 249 R CB -0.856 29.389 30.300 -0.091 0.000 0.895 249 R HN 0.117 nan 8.270 nan 0.000 0.450 250 A N 0.694 123.452 122.820 -0.103 0.000 1.969 250 A HA -0.107 1.470 4.320 -4.572 0.000 0.218 250 A C 1.562 179.067 177.584 -0.133 0.000 1.169 250 A CA 1.074 53.055 52.037 -0.093 0.000 0.635 250 A CB -0.436 18.513 19.000 -0.086 0.000 0.810 250 A HN 0.206 nan 8.150 nan 0.000 0.445 251 F N -0.366 119.505 119.950 -0.131 0.000 2.811 251 F HA 0.274 2.057 4.527 -4.573 0.000 0.301 251 F C 1.897 177.689 175.800 -0.015 0.000 1.151 251 F CA 0.702 58.689 58.000 -0.021 0.000 1.412 251 F CB -0.112 38.966 39.000 0.130 0.000 1.113 251 F HN 0.371 nan 8.300 nan 0.000 0.579 252 G N 0.221 109.059 108.800 0.062 0.000 2.160 252 G HA2 -0.307 0.910 3.960 -4.572 0.000 0.251 252 G HA3 -0.307 0.910 3.960 -4.572 0.000 0.251 252 G C 0.810 175.740 174.900 0.050 0.000 1.008 252 G CA 0.652 45.771 45.100 0.030 0.000 0.724 252 G HN 0.339 nan 8.290 nan 0.000 0.514 253 D N -0.970 119.465 120.400 0.059 0.000 2.327 253 D HA 0.251 2.148 4.640 -4.572 0.000 0.205 253 D C 1.051 177.357 176.300 0.011 0.000 0.989 253 D CA 1.062 55.117 54.000 0.093 0.000 0.873 253 D CB 0.797 41.772 40.800 0.292 0.000 0.955 253 D HN 0.405 nan 8.370 nan 0.000 0.515 254 V N 1.662 121.516 119.914 -0.099 0.000 2.888 254 V HA 0.106 1.483 4.120 -4.572 0.000 0.309 254 V C -0.159 175.875 176.094 -0.100 0.000 1.114 254 V CA -0.908 61.329 62.300 -0.104 0.000 0.940 254 V CB 2.407 34.126 31.823 -0.175 0.000 1.021 254 V HN -0.098 nan 8.190 nan 0.000 0.426 255 D N 0.381 120.748 120.400 -0.054 0.000 2.324 255 D HA 0.120 2.017 4.640 -4.572 0.000 0.235 255 D C 0.435 176.725 176.300 -0.017 0.000 1.095 255 D CA 0.372 54.356 54.000 -0.028 0.000 0.871 255 D CB 0.607 41.404 40.800 -0.004 0.000 0.906 255 D HN 0.571 nan 8.370 nan 0.000 0.522 256 T N -2.306 112.203 114.554 -0.075 0.000 2.802 256 T HA 0.605 2.212 4.350 -4.572 0.000 0.311 256 T C -1.162 173.368 174.700 -0.283 0.000 1.405 256 T CA -0.215 61.820 62.100 -0.109 0.000 1.016 256 T CB 1.327 70.135 68.868 -0.100 0.000 1.352 256 T HN -0.089 nan 8.240 nan 0.000 0.498 257 A N 1.618 124.080 122.820 -0.597 0.000 2.571 257 A HA 0.410 1.987 4.320 -4.572 0.000 0.274 257 A C 0.224 177.376 177.584 -0.719 0.000 1.196 257 A CA -0.076 51.605 52.037 -0.593 0.000 0.957 257 A CB -0.174 18.642 19.000 -0.306 0.000 1.150 257 A HN 0.754 nan 8.150 nan 0.000 0.539 258 D N 1.651 121.532 120.400 -0.865 0.000 2.451 258 D HA 0.048 1.945 4.640 -4.572 0.000 0.254 258 D C -1.097 175.151 176.300 -0.088 0.000 1.204 258 D CA -1.425 52.339 54.000 -0.394 0.000 0.896 258 D CB 1.108 41.794 40.800 -0.190 0.000 1.136 258 D HN 0.156 nan 8.370 nan 0.000 0.499 259 P HA -0.116 nan 4.420 nan 0.000 0.222 259 P C 1.400 178.751 177.300 0.085 0.000 1.147 259 P CA 0.752 63.932 63.100 0.134 0.000 0.790 259 P CB 0.228 32.097 31.700 0.282 0.000 0.780 260 L N -0.886 120.377 121.223 0.067 0.000 2.554 260 L HA 0.108 1.705 4.340 -4.572 0.000 0.226 260 L C 1.166 178.057 176.870 0.035 0.000 1.137 260 L CA 0.339 55.208 54.840 0.048 0.000 0.863 260 L CB -0.651 41.435 42.059 0.044 0.000 0.985 260 L HN -0.001 nan 8.230 nan 0.000 0.451 261 D N 1.043 121.455 120.400 0.021 0.000 2.317 261 D HA 0.092 1.989 4.640 -4.572 0.000 0.252 261 D C -1.680 174.639 176.300 0.032 0.000 1.174 261 D CA -1.809 52.199 54.000 0.014 0.000 0.866 261 D CB 2.102 42.892 40.800 -0.017 0.000 1.127 261 D HN -0.140 nan 8.370 nan 0.000 0.467 262 P HA -0.145 nan 4.420 nan 0.000 0.217 262 P C 1.070 178.406 177.300 0.060 0.000 1.151 262 P CA 1.340 64.468 63.100 0.046 0.000 0.849 262 P CB 0.252 31.973 31.700 0.035 0.000 0.787 263 R N -0.960 119.569 120.500 0.047 0.000 2.115 263 R HA -0.041 1.556 4.340 -4.572 0.000 0.230 263 R C 2.093 178.449 176.300 0.094 0.000 1.111 263 R CA 0.955 57.090 56.100 0.060 0.000 0.976 263 R CB -1.083 29.237 30.300 0.033 0.000 0.870 263 R HN 0.125 nan 8.270 nan 0.000 0.445 264 V N 1.255 121.209 119.914 0.067 0.000 2.358 264 V HA -0.236 1.141 4.120 -4.572 0.000 0.246 264 V C 2.218 178.476 176.094 0.273 0.000 1.047 264 V CA 1.685 64.046 62.300 0.101 0.000 1.035 264 V CB -0.453 31.378 31.823 0.012 0.000 0.658 264 V HN 0.336 nan 8.190 nan 0.000 0.452 265 Q N -0.535 119.385 119.800 0.200 0.000 2.084 265 Q HA -0.296 1.301 4.340 -4.572 0.000 0.202 265 Q C 2.366 178.506 176.000 0.234 0.000 0.978 265 Q CA 1.934 57.869 55.803 0.221 0.000 0.844 265 Q CB -0.208 28.609 28.738 0.131 0.000 0.898 265 Q HN 0.539 nan 8.270 nan 0.000 0.426 266 Q N 0.010 119.912 119.800 0.170 0.000 2.119 266 Q HA -0.181 1.416 4.340 -4.572 0.000 0.201 266 Q C 1.442 177.515 176.000 0.122 0.000 0.972 266 Q CA 1.509 57.387 55.803 0.125 0.000 0.847 266 Q CB -0.477 28.310 28.738 0.082 0.000 0.903 266 Q HN 0.487 nan 8.270 nan 0.000 0.433 267 W N -0.637 120.635 121.300 -0.046 0.000 2.318 267 W HA -0.219 1.697 4.660 -4.574 0.000 0.313 267 W C 1.330 177.735 176.519 -0.190 0.000 1.221 267 W CA 1.969 59.200 57.345 -0.190 0.000 1.266 267 W CB -0.536 28.721 29.460 -0.339 0.000 1.150 267 W HN 0.251 nan 8.180 nan 0.000 0.496 268 W N 0.465 121.934 121.300 0.282 0.000 2.436 268 W HA -0.064 1.854 4.660 -4.571 0.000 0.284 268 W C 2.578 179.140 176.519 0.071 0.000 1.225 268 W CA 1.524 58.991 57.345 0.205 0.000 1.271 268 W CB -0.577 29.052 29.460 0.281 0.000 1.114 268 W HN -0.183 nan 8.180 nan 0.000 0.559 269 K N -0.028 120.536 120.400 0.273 0.000 2.026 269 K HA -0.157 1.420 4.320 -4.572 0.000 0.208 269 K C 1.788 178.431 176.600 0.072 0.000 1.048 269 K CA 2.050 58.446 56.287 0.182 0.000 0.929 269 K CB -0.508 32.077 32.500 0.140 0.000 0.713 269 K HN -0.068 nan 8.250 nan 0.000 0.439 270 T N 0.662 115.178 114.554 -0.064 0.000 2.788 270 T HA -0.120 1.487 4.350 -4.572 0.000 0.268 270 T C 1.839 176.369 174.700 -0.283 0.000 1.044 270 T CA 1.463 63.457 62.100 -0.176 0.000 1.139 270 T CB -0.216 68.494 68.868 -0.263 0.000 0.867 270 T HN 0.224 nan 8.240 nan 0.000 0.454 271 R N 1.574 121.802 120.500 -0.454 0.000 2.092 271 R HA 0.142 1.739 4.340 -4.572 0.000 0.231 271 R C 2.394 178.587 176.300 -0.177 0.000 1.119 271 R CA 1.508 57.310 56.100 -0.496 0.000 0.970 271 R CB -0.966 28.828 30.300 -0.842 0.000 0.864 271 R HN 0.350 nan 8.270 nan 0.000 0.440 272 A N 0.265 123.095 122.820 0.015 0.000 1.902 272 A HA -0.230 1.347 4.320 -4.572 0.000 0.217 272 A C 2.058 179.523 177.584 -0.198 0.000 1.181 272 A CA 1.662 53.719 52.037 0.034 0.000 0.623 272 A CB -0.520 18.593 19.000 0.188 0.000 0.818 272 A HN 0.520 nan 8.150 nan 0.000 0.443 273 Q N -0.593 119.130 119.800 -0.128 0.000 2.096 273 Q HA -0.214 1.383 4.340 -4.572 0.000 0.204 273 Q C 2.217 178.115 176.000 -0.171 0.000 0.982 273 Q CA 1.860 57.578 55.803 -0.142 0.000 0.850 273 Q CB -0.222 28.546 28.738 0.050 0.000 0.901 273 Q HN 0.736 nan 8.270 nan 0.000 0.422 274 K N 0.973 121.274 120.400 -0.164 0.000 2.026 274 K HA -0.178 1.399 4.320 -4.572 0.000 0.208 274 K C 1.984 178.529 176.600 -0.092 0.000 1.048 274 K CA 1.262 57.468 56.287 -0.135 0.000 0.929 274 K CB -0.131 32.285 32.500 -0.140 0.000 0.713 274 K HN 0.134 nan 8.250 nan 0.000 0.439 275 I N 0.288 120.741 120.570 -0.195 0.000 2.151 275 I HA -0.317 1.110 4.170 -4.572 0.000 0.243 275 I C 1.972 177.838 176.117 -0.418 0.000 1.080 275 I CA 1.536 62.617 61.300 -0.365 0.000 1.339 275 I CB -0.348 37.219 38.000 -0.721 0.000 1.039 275 I HN 0.207 nan 8.210 nan 0.000 0.409 276 Y N 0.745 120.783 120.300 -0.436 0.000 2.421 276 Y HA -0.229 1.578 4.550 -4.572 0.000 0.292 276 Y C 2.907 178.687 175.900 -0.200 0.000 1.136 276 Y CA 1.445 59.317 58.100 -0.379 0.000 1.255 276 Y CB -0.496 37.483 38.460 -0.802 0.000 0.991 276 Y HN 0.285 nan 8.280 nan 0.000 0.552 277 S N -1.373 114.260 115.700 -0.112 0.000 2.423 277 S HA -0.203 1.524 4.470 -4.572 0.000 0.231 277 S C 1.607 176.081 174.600 -0.209 0.000 1.014 277 S CA 1.044 59.149 58.200 -0.159 0.000 0.965 277 S CB -0.755 62.294 63.200 -0.252 0.000 0.785 277 S HN 0.449 nan 8.310 nan 0.000 0.495 278 Y N 1.269 121.496 120.300 -0.122 0.000 2.314 278 Y HA 0.460 2.267 4.550 -4.571 0.000 0.294 278 Y C 0.928 176.770 175.900 -0.096 0.000 1.119 278 Y CA 0.083 58.118 58.100 -0.109 0.000 1.179 278 Y CB 0.220 38.596 38.460 -0.141 0.000 1.025 278 Y HN 0.226 nan 8.280 nan 0.000 0.541 279 I N 0.694 121.275 120.570 0.018 0.000 2.583 279 I HA 0.206 1.633 4.170 -4.572 0.000 0.276 279 I C -2.196 173.918 176.117 -0.004 0.000 1.089 279 I CA -1.683 59.618 61.300 0.001 0.000 1.103 279 I CB 2.011 40.004 38.000 -0.011 0.000 1.209 279 I HN -0.153 nan 8.210 nan 0.000 0.484 280 P HA -0.140 nan 4.420 nan 0.000 0.222 280 P C 0.416 177.908 177.300 0.321 0.000 1.147 280 P CA 1.234 64.459 63.100 0.210 0.000 0.790 280 P CB 0.020 31.809 31.700 0.149 0.000 0.780 281 D N -2.052 118.479 120.400 0.217 0.000 2.559 281 D HA 0.015 1.912 4.640 -4.572 0.000 0.234 281 D C -0.037 176.359 176.300 0.159 0.000 1.226 281 D CA -1.065 53.071 54.000 0.226 0.000 0.830 281 D CB -1.251 39.640 40.800 0.152 0.000 1.028 281 D HN 0.019 nan 8.370 nan 0.000 0.492 282 F N 1.601 121.457 119.950 -0.156 0.000 2.629 282 F HA 0.331 2.118 4.527 -4.566 0.000 0.377 282 F C 1.657 177.285 175.800 -0.287 0.000 1.101 282 F CA 0.696 58.452 58.000 -0.407 0.000 1.301 282 F CB 1.178 39.595 39.000 -0.972 0.000 1.062 282 F HN 0.050 nan 8.300 nan 0.000 0.583 283 G N 3.138 111.252 108.800 -1.144 0.000 2.394 283 G HA2 0.364 1.581 3.960 -4.572 0.000 0.215 283 G HA3 0.364 1.581 3.960 -4.572 0.000 0.215 283 G C 0.658 174.957 174.900 -1.002 0.000 1.165 283 G CA 0.637 44.967 45.100 -1.283 0.000 0.784 283 G HN 1.430 nan 8.290 nan 0.000 0.535 284 G N -1.481 106.486 108.800 -1.388 0.000 2.278 284 G HA2 0.285 1.502 3.960 -4.572 0.000 0.265 284 G HA3 0.285 1.502 3.960 -4.572 0.000 0.265 284 G C -1.487 173.315 174.900 -0.163 0.000 1.329 284 G CA -0.818 43.911 45.100 -0.617 0.000 1.017 284 G HN 0.237 nan 8.290 nan 0.000 0.472 285 F N -0.140 119.810 119.950 -0.001 0.000 2.532 285 F HA 0.823 2.604 4.527 -4.575 0.000 0.321 285 F C 0.095 175.943 175.800 0.080 0.000 1.089 285 F CA -1.411 56.660 58.000 0.119 0.000 0.926 285 F CB 1.851 40.936 39.000 0.142 0.000 1.168 285 F HN 0.485 nan 8.300 nan 0.000 0.459 286 L N 3.148 124.596 121.223 0.375 0.000 2.307 286 L HA 0.818 2.415 4.340 -4.572 0.000 0.284 286 L C -1.148 175.809 176.870 0.144 0.000 1.023 286 L CA -0.600 54.420 54.840 0.300 0.000 0.810 286 L CB 1.559 43.801 42.059 0.306 0.000 1.231 286 L HN 0.319 nan 8.230 nan 0.000 0.423 287 V N 4.873 124.794 119.914 0.011 0.000 2.482 287 V HA 0.435 1.812 4.120 -4.572 0.000 0.295 287 V C -0.413 175.441 176.094 -0.399 0.000 1.026 287 V CA -0.849 61.310 62.300 -0.235 0.000 0.856 287 V CB 1.442 33.007 31.823 -0.430 0.000 1.001 287 V HN 0.744 nan 8.190 nan 0.000 0.424 288 K N 3.831 124.076 120.400 -0.257 0.000 2.281 288 K HA 0.802 2.379 4.320 -4.572 0.000 0.272 288 K C -0.469 175.982 176.600 -0.250 0.000 1.048 288 K CA -0.201 55.952 56.287 -0.222 0.000 0.898 288 K CB 1.171 33.614 32.500 -0.094 0.000 1.128 288 K HN 0.888 nan 8.250 nan 0.000 0.460 289 A N 3.845 126.455 122.820 -0.350 0.000 2.414 289 A HA 0.430 2.007 4.320 -4.572 0.000 0.306 289 A C -0.789 176.805 177.584 0.016 0.000 1.054 289 A CA -0.554 51.330 52.037 -0.255 0.000 0.724 289 A CB 0.847 19.485 19.000 -0.604 0.000 1.267 289 A HN 0.910 nan 8.150 nan 0.000 0.418 290 D N 0.053 120.484 120.400 0.051 0.000 2.723 290 D HA -0.130 1.767 4.640 -4.572 0.000 0.236 290 D C -0.111 176.199 176.300 0.016 0.000 1.138 290 D CA 1.982 56.044 54.000 0.103 0.000 0.676 290 D CB -0.965 39.992 40.800 0.263 0.000 1.069 290 D HN 0.737 nan 8.370 nan 0.000 0.430 291 S N -0.544 115.139 115.700 -0.030 0.000 2.614 291 S HA 0.362 2.089 4.470 -4.572 0.000 0.275 291 S C -0.021 174.546 174.600 -0.055 0.000 1.161 291 S CA -0.358 57.769 58.200 -0.121 0.000 0.969 291 S CB 1.219 64.372 63.200 -0.078 0.000 1.059 291 S HN 0.181 nan 8.310 nan 0.000 0.482 292 E N 2.732 122.870 120.200 -0.104 0.000 2.476 292 E HA -0.238 1.369 4.350 -4.572 0.000 0.251 292 E C 0.826 177.476 176.600 0.084 0.000 1.130 292 E CA 0.756 57.207 56.400 0.086 0.000 0.736 292 E CB -1.824 28.040 29.700 0.273 0.000 1.298 292 E HN 1.626 nan 8.360 nan 0.000 0.400 293 G N -0.564 108.242 108.800 0.010 0.000 2.179 293 G HA2 -0.328 0.889 3.960 -4.572 0.000 0.260 293 G HA3 -0.328 0.889 3.960 -4.572 0.000 0.260 293 G C 0.112 175.028 174.900 0.027 0.000 0.977 293 G CA 0.409 45.520 45.100 0.018 0.000 0.641 293 G HN 0.203 nan 8.290 nan 0.000 0.533 294 Q N 0.774 120.590 119.800 0.026 0.000 2.261 294 Q HA 0.427 2.024 4.340 -4.572 0.000 0.252 294 Q C -2.169 173.852 176.000 0.035 0.000 0.915 294 Q CA -1.767 54.054 55.803 0.029 0.000 0.915 294 Q CB 1.282 30.027 28.738 0.012 0.000 1.204 294 Q HN 0.260 nan 8.270 nan 0.000 0.421 295 P HA 0.283 nan 4.420 nan 0.000 0.270 295 P C -0.294 177.070 177.300 0.107 0.000 1.223 295 P CA 0.015 63.188 63.100 0.122 0.000 0.785 295 P CB 0.666 32.494 31.700 0.214 0.000 0.923 296 G N 0.351 109.211 108.800 0.100 0.000 2.495 296 G HA2 0.354 1.571 3.960 -4.572 0.000 0.294 296 G HA3 0.354 1.571 3.960 -4.572 0.000 0.294 296 G C -2.699 172.116 174.900 -0.142 0.000 1.397 296 G CA -0.807 44.162 45.100 -0.219 0.000 0.790 296 G HN 0.066 nan 8.290 nan 0.000 0.486 297 P HA -0.094 nan 4.420 nan 0.000 0.215 297 P C 1.571 178.990 177.300 0.198 0.000 1.153 297 P CA 1.355 64.479 63.100 0.041 0.000 0.853 297 P CB 0.175 31.893 31.700 0.031 0.000 0.788 298 Q N -1.062 118.820 119.800 0.138 0.000 2.364 298 Q HA -0.023 1.574 4.340 -4.572 0.000 0.207 298 Q C 2.182 178.169 176.000 -0.021 0.000 0.970 298 Q CA 1.164 57.005 55.803 0.064 0.000 0.888 298 Q CB -0.825 27.941 28.738 0.045 0.000 0.951 298 Q HN 0.294 nan 8.270 nan 0.000 0.469 299 G N -0.602 108.152 108.800 -0.076 0.000 2.598 299 G HA2 -0.168 1.049 3.960 -4.572 0.000 0.215 299 G HA3 -0.168 1.049 3.960 -4.572 0.000 0.215 299 G C 0.450 175.002 174.900 -0.580 0.000 1.131 299 G CA 0.322 45.220 45.100 -0.337 0.000 0.785 299 G HN 0.334 nan 8.290 nan 0.000 0.539 300 Y N -0.643 119.707 120.300 0.083 0.000 2.682 300 Y HA 0.391 2.197 4.550 -4.573 0.000 0.251 300 Y C 1.691 177.624 175.900 0.055 0.000 1.172 300 Y CA -0.621 57.528 58.100 0.081 0.000 1.186 300 Y CB 0.619 39.160 38.460 0.134 0.000 1.216 300 Y HN 0.159 nan 8.280 nan 0.000 0.540 301 G N 0.858 109.720 108.800 0.102 0.000 2.160 301 G HA2 -0.249 0.968 3.960 -4.572 0.000 0.251 301 G HA3 -0.249 0.968 3.960 -4.572 0.000 0.251 301 G C 0.187 175.129 174.900 0.070 0.000 1.008 301 G CA -0.203 44.930 45.100 0.056 0.000 0.724 301 G HN 0.103 nan 8.290 nan 0.000 0.514 302 R N 0.299 120.869 120.500 0.117 0.000 2.782 302 R HA 0.625 2.223 4.340 -4.572 0.000 0.258 302 R C 0.273 176.616 176.300 0.073 0.000 1.055 302 R CA -0.297 55.861 56.100 0.096 0.000 1.065 302 R CB 0.622 31.012 30.300 0.150 0.000 1.172 302 R HN 0.490 nan 8.270 nan 0.000 0.510 303 D N -1.940 118.477 120.400 0.028 0.000 2.478 303 D HA 0.148 2.045 4.640 -4.572 0.000 0.263 303 D C 0.768 177.115 176.300 0.078 0.000 1.153 303 D CA -0.366 53.642 54.000 0.014 0.000 1.038 303 D CB 0.472 41.220 40.800 -0.087 0.000 1.120 303 D HN 0.459 nan 8.370 nan 0.000 0.564 304 H N -0.876 118.116 119.070 -0.130 0.000 2.423 304 H HA -0.021 1.792 4.556 -4.573 0.000 0.297 304 H C 1.829 176.932 175.328 -0.375 0.000 1.075 304 H CA 0.763 56.729 56.048 -0.137 0.000 1.342 304 H CB 0.297 30.151 29.762 0.154 0.000 1.395 304 H HN 0.553 nan 8.280 nan 0.000 0.530 305 A N 1.322 123.927 122.820 -0.358 0.000 1.877 305 A HA -0.184 1.393 4.320 -4.572 0.000 0.216 305 A C 2.129 179.517 177.584 -0.327 0.000 1.186 305 A CA 1.486 53.132 52.037 -0.652 0.000 0.620 305 A CB -0.334 18.069 19.000 -0.995 0.000 0.822 305 A HN 0.438 nan 8.150 nan 0.000 0.443 306 E N -0.673 119.402 120.200 -0.208 0.000 2.058 306 E HA -0.160 1.447 4.350 -4.572 0.000 0.194 306 E C 2.134 178.716 176.600 -0.030 0.000 0.997 306 E CA 0.971 57.318 56.400 -0.088 0.000 0.801 306 E CB -0.387 29.296 29.700 -0.028 0.000 0.746 306 E HN 0.615 nan 8.360 nan 0.000 0.450 307 G N 0.990 109.754 108.800 -0.059 0.000 2.404 307 G HA2 -0.220 0.997 3.960 -4.572 0.000 0.215 307 G HA3 -0.220 0.997 3.960 -4.572 0.000 0.215 307 G C 1.698 176.582 174.900 -0.025 0.000 1.174 307 G CA 0.849 46.008 45.100 0.099 0.000 0.780 307 G HN 0.351 nan 8.290 nan 0.000 0.537 308 A N 1.380 123.850 122.820 -0.583 0.000 1.902 308 A HA -0.100 1.477 4.320 -4.572 0.000 0.217 308 A C 2.268 179.818 177.584 -0.055 0.000 1.181 308 A CA 1.961 53.745 52.037 -0.423 0.000 0.623 308 A CB -0.478 18.131 19.000 -0.651 0.000 0.818 308 A HN 0.344 nan 8.150 nan 0.000 0.443 309 N N -0.526 118.138 118.700 -0.060 0.000 2.223 309 N HA -0.133 1.864 4.740 -4.572 0.000 0.185 309 N C 1.677 177.201 175.510 0.024 0.000 1.016 309 N CA 1.432 54.481 53.050 -0.001 0.000 0.863 309 N CB -0.479 37.990 38.487 -0.030 0.000 0.983 309 N HN 0.514 nan 8.380 nan 0.000 0.429 310 M N 0.893 120.512 119.600 0.032 0.000 2.086 310 M HA -0.075 1.662 4.480 -4.572 0.000 0.261 310 M C 1.754 178.077 176.300 0.039 0.000 1.067 310 M CA 1.266 56.597 55.300 0.051 0.000 1.116 310 M CB -0.603 32.040 32.600 0.072 0.000 1.348 310 M HN 0.065 nan 8.290 nan 0.000 0.407 311 L N 0.339 121.563 121.223 0.001 0.000 2.042 311 L HA -0.192 1.405 4.340 -4.572 0.000 0.210 311 L C 2.756 179.675 176.870 0.082 0.000 1.076 311 L CA 1.363 56.204 54.840 0.002 0.000 0.749 311 L CB -1.203 40.901 42.059 0.076 0.000 0.893 311 L HN 0.380 nan 8.230 nan 0.000 0.432 312 A N 0.125 122.988 122.820 0.072 0.000 1.902 312 A HA -0.185 1.392 4.320 -4.572 0.000 0.217 312 A C 2.547 180.161 177.584 0.050 0.000 1.181 312 A CA 1.783 53.850 52.037 0.051 0.000 0.623 312 A CB -0.718 18.313 19.000 0.051 0.000 0.818 312 A HN 0.413 nan 8.150 nan 0.000 0.443 313 A N -0.253 122.601 122.820 0.057 0.000 1.972 313 A HA 0.155 1.732 4.320 -4.572 0.000 0.219 313 A C 2.441 180.073 177.584 0.080 0.000 1.169 313 A CA 2.005 54.076 52.037 0.056 0.000 0.635 313 A CB -0.860 18.173 19.000 0.054 0.000 0.810 313 A HN 1.058 nan 8.150 nan 0.000 0.446 314 A N -0.596 122.300 122.820 0.128 0.000 1.969 314 A HA 0.086 1.663 4.320 -4.572 0.000 0.218 314 A C 2.041 179.752 177.584 0.212 0.000 1.169 314 A CA 1.355 53.510 52.037 0.196 0.000 0.635 314 A CB -0.382 18.797 19.000 0.298 0.000 0.810 314 A HN 0.466 nan 8.150 nan 0.000 0.445 315 L N -1.442 119.859 121.223 0.131 0.000 2.416 315 L HA 0.010 1.607 4.340 -4.572 0.000 0.216 315 L C 2.317 179.234 176.870 0.078 0.000 1.098 315 L CA 0.800 55.715 54.840 0.125 0.000 0.840 315 L CB -0.201 41.849 42.059 -0.014 0.000 0.981 315 L HN 0.268 nan 8.230 nan 0.000 0.462 316 K N 1.633 122.051 120.400 0.030 0.000 2.044 316 K HA -0.168 1.409 4.320 -4.572 0.000 0.210 316 K C -0.613 175.928 176.600 -0.099 0.000 1.049 316 K CA 1.870 58.148 56.287 -0.015 0.000 0.927 316 K CB -1.290 31.206 32.500 -0.006 0.000 0.713 316 K HN 0.093 nan 8.250 nan 0.000 0.443 317 P HA -0.095 nan 4.420 nan 0.000 0.221 317 P C 0.372 177.292 177.300 -0.633 0.000 1.145 317 P CA 1.146 63.980 63.100 -0.444 0.000 0.795 317 P CB 0.010 31.324 31.700 -0.645 0.000 0.775 318 F N -2.276 117.479 119.950 -0.325 0.000 2.695 318 F HA 0.402 2.186 4.527 -4.572 0.000 0.303 318 F C 1.724 177.327 175.800 -0.328 0.000 1.091 318 F CA 0.445 58.116 58.000 -0.548 0.000 1.300 318 F CB -0.416 37.676 39.000 -1.514 0.000 1.071 318 F HN -0.053 nan 8.300 nan 0.000 0.578 319 G N 0.485 109.266 108.800 -0.032 0.000 2.143 319 G HA2 -0.183 1.034 3.960 -4.572 0.000 0.249 319 G HA3 -0.183 1.034 3.960 -4.572 0.000 0.249 319 G C 0.636 175.594 174.900 0.097 0.000 0.981 319 G CA -0.207 44.924 45.100 0.051 0.000 0.665 319 G HN 0.728 nan 8.290 nan 0.000 0.528 320 G N -1.012 107.841 108.800 0.088 0.000 2.507 320 G HA2 0.760 1.977 3.960 -4.572 0.000 0.271 320 G HA3 0.760 1.977 3.960 -4.572 0.000 0.271 320 G C 0.223 175.090 174.900 -0.055 0.000 1.189 320 G CA 0.275 45.415 45.100 0.066 0.000 0.859 320 G HN 1.615 nan 8.290 nan 0.000 0.542 321 V N -1.310 118.494 119.914 -0.183 0.000 2.864 321 V HA 0.786 2.163 4.120 -4.572 0.000 0.314 321 V C -0.417 175.468 176.094 -0.349 0.000 1.073 321 V CA -1.070 61.057 62.300 -0.288 0.000 0.956 321 V CB 1.835 33.386 31.823 -0.454 0.000 1.023 321 V HN 0.527 nan 8.190 nan 0.000 0.435 322 V N 3.595 123.389 119.914 -0.201 0.000 2.370 322 V HA 0.469 1.846 4.120 -4.572 0.000 0.283 322 V C -0.756 175.363 176.094 0.041 0.000 1.023 322 V CA -0.122 62.160 62.300 -0.030 0.000 0.857 322 V CB 0.916 32.834 31.823 0.159 0.000 0.985 322 V HN 0.716 nan 8.190 nan 0.000 0.443 323 F N 4.372 124.375 119.950 0.089 0.000 2.335 323 F HA 0.318 2.117 4.527 -4.547 0.000 0.365 323 F C 0.073 175.936 175.800 0.105 0.000 1.122 323 F CA -1.304 56.711 58.000 0.025 0.000 1.151 323 F CB 0.596 39.568 39.000 -0.046 0.000 1.282 323 F HN 0.548 nan 8.300 nan 0.000 0.513 324 W N 6.174 127.513 121.300 0.065 0.000 2.314 324 W HA 0.420 2.337 4.660 -4.571 0.000 0.310 324 W C -0.352 176.131 176.519 -0.060 0.000 1.075 324 W CA -0.965 56.383 57.345 0.005 0.000 1.253 324 W CB 0.901 30.332 29.460 -0.050 0.000 1.238 324 W HN 0.455 nan 8.180 nan 0.000 0.440 325 R N 3.589 123.976 120.500 -0.188 0.000 2.389 325 R HA 0.245 1.842 4.340 -4.572 0.000 0.295 325 R C 0.941 177.202 176.300 -0.065 0.000 1.075 325 R CA 0.133 56.174 56.100 -0.098 0.000 1.005 325 R CB 1.092 31.365 30.300 -0.045 0.000 0.987 325 R HN 0.558 nan 8.270 nan 0.000 0.452 326 A N 3.783 126.501 122.820 -0.169 0.000 2.278 326 A HA -0.001 1.576 4.320 -4.572 0.000 0.212 326 A C 0.247 177.861 177.584 0.050 0.000 1.213 326 A CA -0.138 51.693 52.037 -0.343 0.000 0.840 326 A CB -0.077 18.535 19.000 -0.646 0.000 0.866 326 A HN 0.660 nan 8.150 nan 0.000 0.489 327 F N 1.572 121.501 119.950 -0.035 0.000 2.651 327 F HA 0.440 2.234 4.527 -4.555 0.000 0.347 327 F C -0.483 175.419 175.800 0.171 0.000 1.284 327 F CA -0.475 57.543 58.000 0.029 0.000 1.175 327 F CB -0.090 38.896 39.000 -0.024 0.000 1.542 327 F HN -0.088 nan 8.300 nan 0.000 0.661 328 V N 6.182 126.106 119.914 0.017 0.000 2.709 328 V HA 0.487 1.864 4.120 -4.572 0.000 0.308 328 V C -1.265 174.818 176.094 -0.019 0.000 1.062 328 V CA -0.988 61.289 62.300 -0.039 0.000 0.901 328 V CB 1.952 33.832 31.823 0.096 0.000 1.003 328 V HN 0.427 nan 8.190 nan 0.000 0.425 329 Y N 2.088 122.137 120.300 -0.420 0.000 2.282 329 Y HA 0.581 2.388 4.550 -4.571 0.000 0.317 329 Y C -0.886 174.832 175.900 -0.303 0.000 1.236 329 Y CA -0.971 56.932 58.100 -0.329 0.000 1.134 329 Y CB 0.720 39.058 38.460 -0.203 0.000 1.267 329 Y HN 0.637 nan 8.280 nan 0.000 0.410 330 H N 5.013 124.021 119.070 -0.104 0.000 2.582 330 H HA 0.219 2.033 4.556 -4.569 0.000 0.345 330 H C -1.842 173.422 175.328 -0.108 0.000 1.104 330 H CA -2.257 53.694 56.048 -0.162 0.000 1.390 330 H CB 1.758 31.454 29.762 -0.110 0.000 1.461 330 H HN 0.530 nan 8.280 nan 0.000 0.551 331 P HA -0.134 nan 4.420 nan 0.000 0.219 331 P C 0.950 178.251 177.300 0.002 0.000 1.146 331 P CA 1.216 64.277 63.100 -0.065 0.000 0.808 331 P CB 0.266 31.881 31.700 -0.142 0.000 0.779 332 D N -0.081 120.332 120.400 0.022 0.000 2.355 332 D HA -0.042 1.855 4.640 -4.572 0.000 0.218 332 D C 1.011 177.347 176.300 0.061 0.000 1.004 332 D CA -0.059 53.956 54.000 0.025 0.000 0.880 332 D CB -0.370 40.424 40.800 -0.009 0.000 0.911 332 D HN 0.258 nan 8.370 nan 0.000 0.528 333 I N -0.876 119.754 120.570 0.100 0.000 2.823 333 I HA 0.117 1.544 4.170 -4.572 0.000 0.290 333 I C 1.601 177.808 176.117 0.150 0.000 1.091 333 I CA -0.841 60.530 61.300 0.119 0.000 1.365 333 I CB 1.063 39.146 38.000 0.138 0.000 1.427 333 I HN -0.201 nan 8.210 nan 0.000 0.583 334 E N 1.575 121.857 120.200 0.136 0.000 2.152 334 E HA -0.093 1.514 4.350 -4.572 0.000 0.192 334 E C -0.303 176.431 176.600 0.224 0.000 0.983 334 E CA 0.625 57.111 56.400 0.144 0.000 0.818 334 E CB 0.011 29.764 29.700 0.088 0.000 0.758 334 E HN 0.756 nan 8.360 nan 0.000 0.467 335 D N -0.011 120.539 120.400 0.249 0.000 2.479 335 D HA 0.126 2.023 4.640 -4.572 0.000 0.246 335 D C 0.383 176.859 176.300 0.293 0.000 1.336 335 D CA -0.633 53.551 54.000 0.306 0.000 0.967 335 D CB 1.299 42.269 40.800 0.284 0.000 1.275 335 D HN -0.024 nan 8.370 nan 0.000 0.577 336 R N 2.935 123.651 120.500 0.360 0.000 2.119 336 R HA -0.218 1.379 4.340 -4.572 0.000 0.246 336 R C 1.565 177.997 176.300 0.220 0.000 1.146 336 R CA 1.460 57.721 56.100 0.267 0.000 0.962 336 R CB -0.356 30.084 30.300 0.234 0.000 0.863 336 R HN 0.497 nan 8.270 nan 0.000 0.442 337 F N 1.275 121.281 119.950 0.094 0.000 2.115 337 F HA -0.253 1.533 4.527 -4.567 0.000 0.300 337 F C 2.162 177.983 175.800 0.034 0.000 1.092 337 F CA 1.911 59.944 58.000 0.055 0.000 1.245 337 F CB -0.035 38.985 39.000 0.033 0.000 0.995 337 F HN 0.007 nan 8.300 nan 0.000 0.481 338 R N -0.304 120.391 120.500 0.324 0.000 2.235 338 R HA -0.011 1.586 4.340 -4.572 0.000 0.213 338 R C 2.514 178.904 176.300 0.150 0.000 1.059 338 R CA 0.547 56.777 56.100 0.216 0.000 0.997 338 R CB -0.906 29.514 30.300 0.200 0.000 0.884 338 R HN 0.471 nan 8.270 nan 0.000 0.462 339 G N 1.480 110.355 108.800 0.126 0.000 2.628 339 G HA2 -0.380 0.837 3.960 -4.572 0.000 0.217 339 G HA3 -0.380 0.837 3.960 -4.572 0.000 0.217 339 G C 1.526 176.487 174.900 0.102 0.000 1.240 339 G CA 1.235 46.397 45.100 0.103 0.000 0.792 339 G HN 0.411 nan 8.290 nan 0.000 0.593 340 A N -0.329 122.555 122.820 0.107 0.000 1.883 340 A HA -0.095 1.482 4.320 -4.572 0.000 0.217 340 A C 2.278 180.024 177.584 0.269 0.000 1.186 340 A CA 2.001 54.163 52.037 0.209 0.000 0.624 340 A CB -0.810 18.251 19.000 0.102 0.000 0.822 340 A HN 0.574 nan 8.150 nan 0.000 0.444 341 Y N 1.013 121.332 120.300 0.032 0.000 2.128 341 Y HA -0.240 1.566 4.550 -4.574 0.000 0.284 341 Y C 1.845 177.770 175.900 0.041 0.000 1.154 341 Y CA 2.213 60.322 58.100 0.015 0.000 1.149 341 Y CB -0.149 38.270 38.460 -0.069 0.000 0.976 341 Y HN 0.347 nan 8.280 nan 0.000 0.505 342 D N -0.073 120.462 120.400 0.226 0.000 2.264 342 D HA -0.143 1.754 4.640 -4.572 0.000 0.208 342 D C 1.915 178.201 176.300 -0.024 0.000 0.966 342 D CA 1.099 55.161 54.000 0.103 0.000 0.864 342 D CB -0.078 40.796 40.800 0.122 0.000 0.933 342 D HN 0.551 nan 8.370 nan 0.000 0.499 343 E N -0.708 119.460 120.200 -0.053 0.000 2.122 343 E HA -0.033 1.574 4.350 -4.572 0.000 0.190 343 E C 1.592 177.935 176.600 -0.429 0.000 0.977 343 E CA 0.525 56.757 56.400 -0.281 0.000 0.820 343 E CB 0.018 29.469 29.700 -0.414 0.000 0.770 343 E HN 0.346 nan 8.360 nan 0.000 0.462 344 F N -0.277 119.641 119.950 -0.053 0.000 2.678 344 F HA 0.091 1.880 4.527 -4.564 0.000 0.291 344 F C 2.260 178.007 175.800 -0.088 0.000 1.123 344 F CA 0.064 58.058 58.000 -0.011 0.000 1.395 344 F CB -0.032 38.984 39.000 0.026 0.000 1.121 344 F HN -0.097 nan 8.300 nan 0.000 0.592 345 M N 0.612 120.143 119.600 -0.114 0.000 2.106 345 M HA -0.135 1.602 4.480 -4.572 0.000 0.259 345 M C -0.568 175.649 176.300 -0.138 0.000 1.068 345 M CA 1.856 57.008 55.300 -0.247 0.000 1.100 345 M CB -2.298 29.952 32.600 -0.582 0.000 1.351 345 M HN -0.055 nan 8.290 nan 0.000 0.404 346 P HA -0.053 nan 4.420 nan 0.000 0.225 346 P C 1.361 178.599 177.300 -0.102 0.000 1.148 346 P CA 1.029 64.068 63.100 -0.102 0.000 0.779 346 P CB -0.147 31.490 31.700 -0.105 0.000 0.780 347 L N -1.940 119.238 121.223 -0.076 0.000 2.640 347 L HA 0.186 1.783 4.340 -4.572 0.000 0.230 347 L C 0.641 177.483 176.870 -0.047 0.000 1.123 347 L CA -0.320 54.442 54.840 -0.131 0.000 0.900 347 L CB -0.337 41.633 42.059 -0.149 0.000 1.146 347 L HN -0.129 nan 8.230 nan 0.000 0.484 348 D N 0.895 121.315 120.400 0.032 0.000 2.487 348 D HA 0.223 2.120 4.640 -4.572 0.000 0.243 348 D C 1.274 177.579 176.300 0.008 0.000 1.154 348 D CA 1.613 55.647 54.000 0.057 0.000 0.876 348 D CB 0.883 41.662 40.800 -0.034 0.000 1.161 348 D HN 0.304 nan 8.370 nan 0.000 0.478 349 G N 3.878 112.713 108.800 0.059 0.000 2.217 349 G HA2 -0.319 0.898 3.960 -4.572 0.000 0.246 349 G HA3 -0.319 0.898 3.960 -4.572 0.000 0.246 349 G C 1.108 175.993 174.900 -0.025 0.000 0.990 349 G CA 0.475 45.585 45.100 0.017 0.000 0.627 349 G HN 0.569 nan 8.290 nan 0.000 0.522 350 K N -0.511 119.810 120.400 -0.131 0.000 2.393 350 K HA 0.332 1.909 4.320 -4.572 0.000 0.193 350 K C 0.088 176.496 176.600 -0.319 0.000 1.026 350 K CA -0.131 55.998 56.287 -0.263 0.000 1.064 350 K CB 0.217 32.492 32.500 -0.375 0.000 0.833 350 K HN 0.338 nan 8.250 nan 0.000 0.521 351 F N 1.512 121.436 119.950 -0.043 0.000 2.384 351 F HA 0.282 2.070 4.527 -4.565 0.000 0.338 351 F C 0.915 176.699 175.800 -0.026 0.000 1.103 351 F CA -1.187 56.781 58.000 -0.053 0.000 1.157 351 F CB 0.626 39.597 39.000 -0.048 0.000 1.167 351 F HN -0.080 nan 8.300 nan 0.000 0.529 352 A N 1.694 124.609 122.820 0.158 0.000 2.448 352 A HA 0.116 1.693 4.320 -4.572 0.000 0.239 352 A C 1.050 178.710 177.584 0.127 0.000 1.080 352 A CA -0.115 51.984 52.037 0.104 0.000 0.779 352 A CB -0.033 19.010 19.000 0.071 0.000 1.026 352 A HN 0.839 nan 8.150 nan 0.000 0.499 353 D N 0.331 120.798 120.400 0.112 0.000 2.263 353 D HA -0.178 1.719 4.640 -4.572 0.000 0.208 353 D C 0.702 177.127 176.300 0.208 0.000 0.971 353 D CA 1.412 55.502 54.000 0.149 0.000 0.867 353 D CB -0.261 40.614 40.800 0.126 0.000 0.929 353 D HN 0.592 nan 8.370 nan 0.000 0.492 354 N N 0.561 119.337 118.700 0.126 0.000 2.251 354 N HA 0.015 2.012 4.740 -4.572 0.000 0.217 354 N C -0.600 174.877 175.510 -0.055 0.000 1.124 354 N CA -0.266 52.801 53.050 0.027 0.000 0.843 354 N CB 0.392 38.901 38.487 0.037 0.000 1.024 354 N HN 0.044 nan 8.380 nan 0.000 0.501 355 V N 1.685 121.611 119.914 0.020 0.000 2.427 355 V HA 0.454 1.831 4.120 -4.572 0.000 0.286 355 V C 0.037 176.117 176.094 -0.024 0.000 1.034 355 V CA -0.687 61.617 62.300 0.008 0.000 0.893 355 V CB 1.452 33.309 31.823 0.058 0.000 0.982 355 V HN 0.096 nan 8.190 nan 0.000 0.452 356 I N 5.365 125.930 120.570 -0.008 0.000 2.466 356 I HA 0.374 1.801 4.170 -4.572 0.000 0.289 356 I C -0.744 175.354 176.117 -0.031 0.000 1.026 356 I CA -0.759 60.544 61.300 0.004 0.000 1.078 356 I CB 1.914 39.973 38.000 0.098 0.000 1.249 356 I HN 0.379 nan 8.210 nan 0.000 0.429 357 L N 6.237 127.357 121.223 -0.171 0.000 2.278 357 L HA 0.277 1.874 4.340 -4.572 0.000 0.287 357 L C 0.077 176.847 176.870 -0.167 0.000 1.072 357 L CA 0.354 55.051 54.840 -0.238 0.000 0.819 357 L CB 0.838 42.638 42.059 -0.433 0.000 1.176 357 L HN 0.618 nan 8.230 nan 0.000 0.435 358 Q N 5.300 125.026 119.800 -0.123 0.000 2.360 358 Q HA 0.510 2.107 4.340 -4.572 0.000 0.254 358 Q C -1.291 174.621 176.000 -0.147 0.000 0.975 358 Q CA -0.222 55.507 55.803 -0.123 0.000 0.912 358 Q CB 0.646 29.323 28.738 -0.101 0.000 1.212 358 Q HN 0.694 nan 8.270 nan 0.000 0.452 359 I N 3.964 124.443 120.570 -0.153 0.000 2.406 359 I HA 0.346 1.773 4.170 -4.572 0.000 0.290 359 I C -0.104 175.974 176.117 -0.065 0.000 0.999 359 I CA -0.926 60.236 61.300 -0.230 0.000 1.124 359 I CB 1.762 39.391 38.000 -0.617 0.000 1.289 359 I HN 0.459 nan 8.210 nan 0.000 0.441 360 K N 4.436 124.783 120.400 -0.088 0.000 2.336 360 K HA 0.040 1.617 4.320 -4.572 0.000 0.262 360 K C 1.169 177.836 176.600 0.113 0.000 0.992 360 K CA -0.212 56.050 56.287 -0.041 0.000 0.927 360 K CB 0.499 32.784 32.500 -0.359 0.000 0.956 360 K HN 0.679 nan 8.250 nan 0.000 0.495 361 N N 0.548 119.379 118.700 0.219 0.000 2.289 361 N HA -0.105 1.892 4.740 -4.572 0.000 0.184 361 N C 0.616 176.308 175.510 0.304 0.000 1.016 361 N CA 0.806 54.052 53.050 0.327 0.000 0.872 361 N CB -0.007 38.742 38.487 0.436 0.000 0.973 361 N HN 0.511 nan 8.380 nan 0.000 0.433 362 G N 0.284 109.159 108.800 0.125 0.000 2.630 362 G HA2 0.476 1.693 3.960 -4.572 0.000 0.296 362 G HA3 0.476 1.693 3.960 -4.572 0.000 0.296 362 G C -2.286 172.517 174.900 -0.163 0.000 1.285 362 G CA -1.187 43.901 45.100 -0.019 0.000 0.958 362 G HN -0.095 nan 8.290 nan 0.000 0.479 363 P HA 0.112 nan 4.420 nan 0.000 0.231 363 P C 1.173 178.316 177.300 -0.260 0.000 1.168 363 P CA 0.266 63.123 63.100 -0.405 0.000 0.779 363 P CB 0.534 31.708 31.700 -0.876 0.000 0.844 364 I N 0.044 120.501 120.570 -0.187 0.000 4.682 364 I HA 0.179 1.606 4.170 -4.572 0.000 0.229 364 I C 0.328 176.409 176.117 -0.060 0.000 0.980 364 I CA 1.127 62.379 61.300 -0.079 0.000 1.588 364 I CB -1.007 37.022 38.000 0.048 0.000 1.448 364 I HN -0.070 nan 8.210 nan 0.000 0.457 365 D N -0.700 119.626 120.400 -0.123 0.000 2.881 365 D HA 0.174 2.071 4.640 -4.572 0.000 0.238 365 D C -0.739 175.475 176.300 -0.142 0.000 1.368 365 D CA -0.438 53.426 54.000 -0.227 0.000 0.871 365 D CB -0.156 40.623 40.800 -0.035 0.000 1.516 365 D HN 0.153 nan 8.370 nan 0.000 0.544 366 F N -0.071 119.882 119.950 0.004 0.000 3.069 366 F HA -0.277 1.531 4.527 -4.532 0.000 0.285 366 F C 0.921 176.710 175.800 -0.018 0.000 0.827 366 F CA 0.535 58.594 58.000 0.098 0.000 1.108 366 F CB -1.785 37.371 39.000 0.260 0.000 1.252 366 F HN 0.398 nan 8.300 nan 0.000 0.483 367 Q N 0.634 120.425 119.800 -0.016 0.000 2.454 367 Q HA 0.105 1.702 4.340 -4.572 0.000 0.247 367 Q C -0.946 175.067 176.000 0.022 0.000 1.028 367 Q CA -1.054 54.661 55.803 -0.147 0.000 0.910 367 Q CB 0.123 28.814 28.738 -0.077 0.000 1.276 367 Q HN 0.009 nan 8.270 nan 0.000 0.489 368 P HA -0.174 nan 4.420 nan 0.000 0.218 368 P C 0.074 177.442 177.300 0.113 0.000 1.154 368 P CA 1.647 64.647 63.100 -0.167 0.000 0.872 368 P CB 0.280 31.684 31.700 -0.492 0.000 0.790 369 R N -0.376 120.180 120.500 0.093 0.000 2.515 369 R HA 0.323 1.920 4.340 -4.572 0.000 0.291 369 R C -1.003 175.459 176.300 0.270 0.000 1.046 369 R CA -0.394 55.802 56.100 0.160 0.000 0.914 369 R CB 1.515 31.885 30.300 0.117 0.000 1.191 369 R HN -0.089 nan 8.270 nan 0.000 0.435 370 E N 4.313 124.594 120.200 0.136 0.000 2.312 370 E HA 0.424 2.031 4.350 -4.572 0.000 0.267 370 E C -2.437 174.039 176.600 -0.207 0.000 0.894 370 E CA -2.295 54.039 56.400 -0.110 0.000 0.773 370 E CB 2.527 32.177 29.700 -0.083 0.000 1.241 370 E HN 0.436 nan 8.360 nan 0.000 0.432 371 P HA 0.055 nan 4.420 nan 0.000 0.274 371 P C -0.463 176.889 177.300 0.086 0.000 1.246 371 P CA -0.319 62.684 63.100 -0.162 0.000 0.795 371 P CB 0.201 31.769 31.700 -0.220 0.000 1.006 372 F N -1.049 119.077 119.950 0.295 0.000 2.506 372 F HA 0.285 2.067 4.527 -4.576 0.000 0.351 372 F C 0.369 176.396 175.800 0.379 0.000 1.136 372 F CA -0.662 57.539 58.000 0.335 0.000 1.298 372 F CB -0.504 38.707 39.000 0.351 0.000 1.145 372 F HN 0.088 nan 8.300 nan 0.000 0.593 373 S N 2.577 118.551 115.700 0.458 0.000 2.515 373 S HA 0.269 1.996 4.470 -4.572 0.000 0.285 373 S C 1.231 175.967 174.600 0.227 0.000 1.265 373 S CA -0.122 58.160 58.200 0.137 0.000 1.079 373 S CB 0.879 64.038 63.200 -0.069 0.000 0.877 373 S HN 0.930 nan 8.310 nan 0.000 0.493 374 A N 4.238 126.970 122.820 -0.146 0.000 1.972 374 A HA -0.073 1.504 4.320 -4.572 0.000 0.219 374 A C 1.923 179.634 177.584 0.211 0.000 1.169 374 A CA 1.118 53.024 52.037 -0.218 0.000 0.635 374 A CB -0.555 17.892 19.000 -0.921 0.000 0.810 374 A HN 0.831 nan 8.150 nan 0.000 0.446 375 L N -1.785 119.520 121.223 0.137 0.000 2.129 375 L HA -0.241 1.356 4.340 -4.572 0.000 0.212 375 L C 2.360 179.267 176.870 0.062 0.000 1.087 375 L CA 1.294 56.164 54.840 0.050 0.000 0.757 375 L CB -0.601 41.345 42.059 -0.188 0.000 0.896 375 L HN 0.390 nan 8.230 nan 0.000 0.434 376 F N -0.079 120.012 119.950 0.235 0.000 2.126 376 F HA -0.233 1.547 4.527 -4.578 0.000 0.299 376 F C 2.464 178.462 175.800 0.329 0.000 1.096 376 F CA 1.316 59.454 58.000 0.230 0.000 1.255 376 F CB -0.779 38.338 39.000 0.195 0.000 0.997 376 F HN 0.030 nan 8.300 nan 0.000 0.479 377 A N -0.887 122.285 122.820 0.586 0.000 2.238 377 A HA 0.360 1.937 4.320 -4.572 0.000 0.210 377 A C 2.320 180.199 177.584 0.491 0.000 1.179 377 A CA 0.945 53.309 52.037 0.546 0.000 0.827 377 A CB -0.991 18.340 19.000 0.553 0.000 0.856 377 A HN 0.372 nan 8.150 nan 0.000 0.488 378 G N -1.173 107.833 108.800 0.343 0.000 2.641 378 G HA2 0.229 1.446 3.960 -4.572 0.000 0.207 378 G HA3 0.229 1.446 3.960 -4.572 0.000 0.207 378 G C 0.691 175.536 174.900 -0.092 0.000 1.137 378 G CA -0.174 45.042 45.100 0.193 0.000 0.824 378 G HN 0.284 nan 8.290 nan 0.000 0.547 379 M N 2.830 122.343 119.600 -0.144 0.000 2.156 379 M HA 0.218 1.955 4.480 -4.572 0.000 0.345 379 M C 0.887 176.802 176.300 -0.641 0.000 1.398 379 M CA 0.017 55.156 55.300 -0.269 0.000 1.148 379 M CB 0.914 33.432 32.600 -0.136 0.000 1.663 379 M HN 0.244 nan 8.290 nan 0.000 0.464 380 S N 2.741 118.027 115.700 -0.690 0.000 2.539 380 S HA 0.241 1.968 4.470 -4.572 0.000 0.221 380 S C 1.034 175.426 174.600 -0.346 0.000 0.987 380 S CA -0.393 57.213 58.200 -0.990 0.000 0.929 380 S CB 0.438 63.197 63.200 -0.734 0.000 0.832 380 S HN 0.778 nan 8.310 nan 0.000 0.492 381 R N 0.593 120.980 120.500 -0.187 0.000 2.590 381 R HA 0.313 1.910 4.340 -4.572 0.000 0.410 381 R C -0.883 175.427 176.300 0.017 0.000 1.010 381 R CA -0.025 56.045 56.100 -0.050 0.000 1.155 381 R CB 1.235 31.514 30.300 -0.035 0.000 1.455 381 R HN 0.196 nan 8.270 nan 0.000 0.567 382 T N 0.567 115.125 114.554 0.005 0.000 2.893 382 T HA 0.299 1.906 4.350 -4.572 0.000 0.293 382 T C -0.627 174.092 174.700 0.033 0.000 1.027 382 T CA -0.816 61.316 62.100 0.053 0.000 0.988 382 T CB 1.875 70.779 68.868 0.061 0.000 1.043 382 T HN -0.008 nan 8.240 nan 0.000 0.461 383 N N 3.041 121.771 118.700 0.049 0.000 2.513 383 N HA 0.339 2.336 4.740 -4.572 0.000 0.268 383 N C -0.407 175.116 175.510 0.023 0.000 1.180 383 N CA 0.169 53.266 53.050 0.078 0.000 0.948 383 N CB 0.501 39.067 38.487 0.132 0.000 1.083 383 N HN 0.532 nan 8.380 nan 0.000 0.455 384 M N 1.895 121.536 119.600 0.068 0.000 2.662 384 M HA 0.554 2.291 4.480 -4.572 0.000 0.310 384 M C -0.166 176.178 176.300 0.073 0.000 1.204 384 M CA -0.700 54.634 55.300 0.056 0.000 0.891 384 M CB 2.145 34.833 32.600 0.148 0.000 1.732 384 M HN 0.457 nan 8.290 nan 0.000 0.467 385 M N 1.139 120.764 119.600 0.042 0.000 2.520 385 M HA 0.691 2.428 4.480 -4.572 0.000 0.283 385 M C -1.403 174.913 176.300 0.027 0.000 1.237 385 M CA -0.957 54.341 55.300 -0.004 0.000 0.885 385 M CB 2.558 35.083 32.600 -0.125 0.000 1.727 385 M HN 0.647 nan 8.290 nan 0.000 0.468 386 M N 2.075 121.633 119.600 -0.069 0.000 2.274 386 M HA 0.424 2.161 4.480 -4.572 0.000 0.344 386 M C -0.934 175.233 176.300 -0.221 0.000 1.161 386 M CA 0.497 55.708 55.300 -0.149 0.000 1.126 386 M CB 1.122 33.422 32.600 -0.501 0.000 1.522 386 M HN 0.798 nan 8.290 nan 0.000 0.461 387 E N 4.034 124.126 120.200 -0.180 0.000 2.185 387 E HA 0.396 2.003 4.350 -4.572 0.000 0.261 387 E C -1.884 174.716 176.600 -0.001 0.000 0.879 387 E CA -0.277 56.071 56.400 -0.088 0.000 0.756 387 E CB 0.824 30.554 29.700 0.051 0.000 1.152 387 E HN 0.726 nan 8.360 nan 0.000 0.416 388 F N 1.979 121.888 119.950 -0.068 0.000 2.507 388 F HA 0.334 2.025 4.527 -4.728 0.000 0.327 388 F C 0.363 175.822 175.800 -0.569 0.000 1.068 388 F CA -1.013 56.870 58.000 -0.195 0.000 0.965 388 F CB 2.135 40.822 39.000 -0.521 0.000 1.192 388 F HN 0.347 nan 8.300 nan 0.000 0.476 389 Q N 1.876 121.366 119.800 -0.517 0.000 2.307 389 Q HA 0.368 1.965 4.340 -4.572 0.000 0.262 389 Q C -0.355 175.424 176.000 -0.369 0.000 0.961 389 Q CA -0.363 54.935 55.803 -0.842 0.000 0.882 389 Q CB 1.509 29.388 28.738 -1.430 0.000 1.264 389 Q HN 0.694 nan 8.270 nan 0.000 0.446 390 I N 1.362 121.669 120.570 -0.438 0.000 2.947 390 I HA -0.008 1.419 4.170 -4.572 0.000 0.263 390 I C 1.136 177.117 176.117 -0.227 0.000 1.130 390 I CA 0.473 61.621 61.300 -0.254 0.000 1.448 390 I CB 0.140 37.926 38.000 -0.358 0.000 1.222 390 I HN 0.563 nan 8.210 nan 0.000 0.453 391 T N 1.987 116.352 114.554 -0.315 0.000 2.933 391 T HA -0.057 1.550 4.350 -4.572 0.000 0.306 391 T C 0.378 175.070 174.700 -0.014 0.000 1.045 391 T CA 0.136 62.148 62.100 -0.146 0.000 1.143 391 T CB 0.167 68.871 68.868 -0.275 0.000 1.003 391 T HN 0.236 nan 8.240 nan 0.000 0.540 392 Q N 3.586 123.471 119.800 0.142 0.000 3.247 392 Q HA 0.113 1.710 4.340 -4.572 0.000 0.326 392 Q C 1.342 177.408 176.000 0.110 0.000 1.402 392 Q CA -0.211 55.669 55.803 0.128 0.000 0.994 392 Q CB 0.287 29.099 28.738 0.125 0.000 1.647 392 Q HN 0.827 nan 8.270 nan 0.000 0.523 393 E N 0.342 120.599 120.200 0.094 0.000 2.118 393 E HA -0.218 1.389 4.350 -4.572 0.000 0.195 393 E C 0.200 176.635 176.600 -0.275 0.000 0.992 393 E CA 1.373 57.733 56.400 -0.066 0.000 0.804 393 E CB 0.276 29.794 29.700 -0.305 0.000 0.741 393 E HN 0.553 nan 8.360 nan 0.000 0.458 394 Y N -2.206 118.074 120.300 -0.034 0.000 2.557 394 Y HA 0.235 2.037 4.550 -4.580 0.000 0.247 394 Y C 0.112 175.797 175.900 -0.358 0.000 1.164 394 Y CA -0.280 57.602 58.100 -0.363 0.000 1.218 394 Y CB 0.678 38.857 38.460 -0.469 0.000 1.210 394 Y HN 0.000 nan 8.280 nan 0.000 0.529 395 F N -0.511 119.427 119.950 -0.021 0.000 2.735 395 F HA 0.505 2.295 4.527 -4.562 0.000 0.308 395 F C 1.199 176.884 175.800 -0.190 0.000 1.112 395 F CA -0.063 57.863 58.000 -0.123 0.000 1.235 395 F CB 1.120 40.057 39.000 -0.106 0.000 1.027 395 F HN -0.005 nan 8.300 nan 0.000 0.528 396 G N -0.248 108.476 108.800 -0.127 0.000 2.173 396 G HA2 -0.231 0.986 3.960 -4.572 0.000 0.174 396 G HA3 -0.231 0.986 3.960 -4.572 0.000 0.174 396 G C 0.362 175.361 174.900 0.164 0.000 1.025 396 G CA -0.360 44.498 45.100 -0.404 0.000 0.706 396 G HN 0.067 nan 8.290 nan 0.000 0.499 397 F N -1.793 118.006 119.950 -0.251 0.000 2.271 397 F HA -0.311 1.472 4.527 -4.573 0.000 0.306 397 F C 2.151 177.899 175.800 -0.087 0.000 1.484 397 F CA 1.623 59.240 58.000 -0.638 0.000 1.166 397 F CB -1.887 36.791 39.000 -0.537 0.000 3.762 397 F HN 1.233 nan 8.300 nan 0.000 0.149 398 A N -0.590 122.440 122.820 0.350 0.000 2.503 398 A HA 0.463 2.040 4.320 -4.572 0.000 0.263 398 A C 1.221 179.095 177.584 0.483 0.000 1.258 398 A CA 1.015 53.293 52.037 0.401 0.000 0.936 398 A CB -0.596 18.622 19.000 0.363 0.000 1.070 398 A HN 0.893 nan 8.150 nan 0.000 0.522 399 T N -3.707 111.148 114.554 0.501 0.000 3.015 399 T HA 0.180 1.787 4.350 -4.572 0.000 0.250 399 T C 0.569 175.496 174.700 0.378 0.000 1.057 399 T CA 0.193 62.570 62.100 0.462 0.000 1.066 399 T CB -0.326 68.802 68.868 0.432 0.000 0.959 399 T HN 0.484 nan 8.240 nan 0.000 0.488 400 H N 0.948 120.134 119.070 0.194 0.000 2.562 400 H HA 0.402 2.215 4.556 -4.572 0.000 0.314 400 H C -0.623 174.556 175.328 -0.248 0.000 1.079 400 H CA -0.699 55.377 56.048 0.047 0.000 1.349 400 H CB 1.808 31.623 29.762 0.087 0.000 1.432 400 H HN 0.183 nan 8.280 nan 0.000 0.479 401 L N 3.190 124.288 121.223 -0.208 0.000 2.313 401 L HA 0.365 1.962 4.340 -4.572 0.000 0.282 401 L C -0.403 176.344 176.870 -0.206 0.000 1.092 401 L CA -0.222 54.364 54.840 -0.423 0.000 0.831 401 L CB 0.125 41.959 42.059 -0.373 0.000 1.159 401 L HN 0.727 nan 8.230 nan 0.000 0.442 402 A N 4.809 127.505 122.820 -0.207 0.000 2.839 402 A HA 0.159 1.736 4.320 -4.572 0.000 0.303 402 A C -1.177 176.282 177.584 -0.208 0.000 1.181 402 A CA -0.512 51.414 52.037 -0.186 0.000 0.808 402 A CB 0.037 18.928 19.000 -0.181 0.000 1.391 402 A HN 0.586 nan 8.150 nan 0.000 0.433 403 Y N 2.086 122.223 120.300 -0.271 0.000 2.729 403 Y HA 0.080 1.887 4.550 -4.572 0.000 0.331 403 Y C 0.905 176.524 175.900 -0.470 0.000 1.208 403 Y CA 0.483 58.405 58.100 -0.297 0.000 1.521 403 Y CB 0.656 39.002 38.460 -0.190 0.000 1.233 403 Y HN 0.662 nan 8.280 nan 0.000 0.539 404 Q N 4.511 123.792 119.800 -0.866 0.000 2.319 404 Q HA 0.101 1.698 4.340 -4.572 0.000 0.202 404 Q C 2.086 177.055 176.000 -1.718 0.000 0.896 404 Q CA 0.623 55.656 55.803 -1.283 0.000 0.942 404 Q CB 0.219 28.206 28.738 -1.253 0.000 1.083 404 Q HN 1.094 nan 8.270 nan 0.000 0.510 405 G N 2.861 110.477 108.800 -1.973 0.000 2.574 405 G HA2 -0.259 0.958 3.960 -4.572 0.000 0.220 405 G HA3 -0.259 0.958 3.960 -4.572 0.000 0.220 405 G C -1.034 173.348 174.900 -0.863 0.000 1.173 405 G CA 0.739 45.019 45.100 -1.366 0.000 0.772 405 G HN 0.361 nan 8.290 nan 0.000 0.585 406 P HA -0.034 nan 4.420 nan 0.000 0.217 406 P C 2.092 179.166 177.300 -0.376 0.000 1.150 406 P CA 0.506 63.353 63.100 -0.422 0.000 0.832 406 P CB -0.135 31.380 31.700 -0.309 0.000 0.787 407 L N -1.737 119.156 121.223 -0.549 0.000 2.012 407 L HA -0.199 1.398 4.340 -4.572 0.000 0.210 407 L C 2.194 178.912 176.870 -0.254 0.000 1.073 407 L CA 1.886 56.498 54.840 -0.381 0.000 0.748 407 L CB -0.647 41.112 42.059 -0.501 0.000 0.891 407 L HN -0.165 nan 8.230 nan 0.000 0.431 408 F N 0.213 119.859 119.950 -0.507 0.000 2.113 408 F HA -0.189 1.811 4.527 -4.210 0.000 0.297 408 F C 2.594 178.227 175.800 -0.277 0.000 1.103 408 F CA 1.411 58.988 58.000 -0.706 0.000 1.248 408 F CB -1.267 37.203 39.000 -0.882 0.000 0.999 408 F HN 0.253 nan 8.300 nan 0.000 0.475 409 E N 0.574 120.733 120.200 -0.070 0.000 2.070 409 E HA -0.301 1.306 4.350 -4.572 0.000 0.197 409 E C 2.231 178.834 176.600 0.004 0.000 1.004 409 E CA 1.664 58.048 56.400 -0.025 0.000 0.805 409 E CB -0.243 29.419 29.700 -0.063 0.000 0.744 409 E HN 0.546 nan 8.360 nan 0.000 0.451 410 E N -0.099 120.090 120.200 -0.018 0.000 2.070 410 E HA -0.222 1.385 4.350 -4.572 0.000 0.197 410 E C 2.150 178.796 176.600 0.077 0.000 1.004 410 E CA 1.580 57.995 56.400 0.025 0.000 0.805 410 E CB -0.160 29.548 29.700 0.013 0.000 0.744 410 E HN 0.120 nan 8.360 nan 0.000 0.451 411 S N 0.127 115.906 115.700 0.132 0.000 2.353 411 S HA -0.129 1.599 4.470 -4.572 0.000 0.222 411 S C 1.934 176.592 174.600 0.096 0.000 1.035 411 S CA 1.278 59.596 58.200 0.196 0.000 1.025 411 S CB -0.257 63.195 63.200 0.419 0.000 0.902 411 S HN 0.278 nan 8.310 nan 0.000 0.440 412 L N 0.890 122.185 121.223 0.120 0.000 2.131 412 L HA -0.068 1.529 4.340 -4.572 0.000 0.210 412 L C 2.005 178.860 176.870 -0.025 0.000 1.092 412 L CA 1.146 56.003 54.840 0.028 0.000 0.759 412 L CB -0.348 41.773 42.059 0.103 0.000 0.903 412 L HN 0.199 nan 8.230 nan 0.000 0.435 413 K N -0.794 119.609 120.400 0.004 0.000 2.444 413 K HA 0.089 1.666 4.320 -4.572 0.000 0.193 413 K C 0.324 176.897 176.600 -0.045 0.000 1.024 413 K CA 0.027 56.304 56.287 -0.015 0.000 1.077 413 K CB 0.016 32.519 32.500 0.005 0.000 0.833 413 K HN 0.156 nan 8.250 nan 0.000 0.517 414 T N 2.325 116.845 114.554 -0.056 0.000 2.834 414 T HA 0.002 1.609 4.350 -4.572 0.000 0.298 414 T C -0.032 174.549 174.700 -0.200 0.000 0.966 414 T CA 0.047 62.108 62.100 -0.064 0.000 1.141 414 T CB 0.751 69.616 68.868 -0.006 0.000 0.905 414 T HN 0.091 nan 8.240 nan 0.000 0.535 415 E N 2.374 122.474 120.200 -0.165 0.000 2.257 415 E HA 0.137 1.744 4.350 -4.572 0.000 0.278 415 E C 1.216 177.612 176.600 -0.339 0.000 1.049 415 E CA -0.127 56.096 56.400 -0.296 0.000 0.876 415 E CB 0.603 30.114 29.700 -0.315 0.000 1.035 415 E HN 0.675 nan 8.360 nan 0.000 0.419 416 T N 1.212 115.508 114.554 -0.429 0.000 3.037 416 T HA 0.013 1.620 4.350 -4.572 0.000 0.251 416 T C 0.359 175.063 174.700 0.005 0.000 1.079 416 T CA 0.435 62.349 62.100 -0.309 0.000 1.067 416 T CB -0.292 68.305 68.868 -0.452 0.000 0.948 416 T HN 0.696 nan 8.240 nan 0.000 0.496 417 H N 0.060 119.084 119.070 -0.077 0.000 2.921 417 H HA -0.223 1.590 4.556 -4.570 0.000 0.281 417 H C 1.762 177.090 175.328 0.001 0.000 1.165 417 H CA 0.544 56.568 56.048 -0.040 0.000 1.151 417 H CB -1.827 27.913 29.762 -0.035 0.000 1.311 417 H HN 0.651 nan 8.280 nan 0.000 0.361 418 A N 1.068 123.928 122.820 0.067 0.000 1.903 418 A HA -0.178 1.399 4.320 -4.572 0.000 0.219 418 A C 1.855 179.499 177.584 0.099 0.000 1.191 418 A CA 1.888 54.003 52.037 0.130 0.000 0.638 418 A CB -0.077 18.979 19.000 0.093 0.000 0.823 418 A HN 0.473 nan 8.150 nan 0.000 0.451 419 R N -1.511 118.977 120.500 -0.021 0.000 2.782 419 R HA 0.436 2.033 4.340 -4.572 0.000 0.293 419 R C 0.414 176.706 176.300 -0.012 0.000 1.333 419 R CA 0.217 56.313 56.100 -0.007 0.000 1.479 419 R CB 0.318 30.578 30.300 -0.066 0.000 1.306 419 R HN 0.782 nan 8.270 nan 0.000 0.654 420 G N 1.229 110.052 108.800 0.038 0.000 2.681 420 G HA2 -0.277 0.940 3.960 -4.572 0.000 0.220 420 G HA3 -0.277 0.940 3.960 -4.572 0.000 0.220 420 G C -0.542 174.358 174.900 -0.000 0.000 1.353 420 G CA -0.788 44.349 45.100 0.060 0.000 0.872 420 G HN 0.409 nan 8.290 nan 0.000 0.557 421 E N 0.435 120.643 120.200 0.013 0.000 2.415 421 E HA 0.386 1.993 4.350 -4.572 0.000 0.262 421 E C 1.298 177.833 176.600 -0.108 0.000 1.038 421 E CA 1.168 57.522 56.400 -0.078 0.000 0.921 421 E CB 0.464 30.155 29.700 -0.015 0.000 0.950 421 E HN 2.192 nan 8.360 nan 0.000 0.438 422 G N 1.966 110.673 108.800 -0.155 0.000 2.175 422 G HA2 -0.279 0.938 3.960 -4.572 0.000 0.244 422 G HA3 -0.279 0.938 3.960 -4.572 0.000 0.244 422 G C 0.450 175.245 174.900 -0.176 0.000 0.982 422 G CA 0.142 45.160 45.100 -0.137 0.000 0.641 422 G HN 0.422 nan 8.290 nan 0.000 0.527 423 S N 2.295 117.861 115.700 -0.223 0.000 3.697 423 S HA 0.437 2.164 4.470 -4.572 0.000 0.207 423 S C 1.027 175.455 174.600 -0.287 0.000 1.459 423 S CA 0.503 58.550 58.200 -0.255 0.000 1.122 423 S CB -0.087 62.971 63.200 -0.236 0.000 1.311 423 S HN 1.072 nan 8.310 nan 0.000 0.487 424 T N -0.674 113.728 114.554 -0.254 0.000 2.813 424 T HA 0.298 1.905 4.350 -4.572 0.000 0.297 424 T C 1.599 176.108 174.700 -0.317 0.000 1.036 424 T CA -0.761 61.181 62.100 -0.264 0.000 1.044 424 T CB 0.431 69.191 68.868 -0.179 0.000 0.993 424 T HN 0.111 nan 8.240 nan 0.000 0.535 425 I N 1.649 122.007 120.570 -0.352 0.000 2.208 425 I HA -0.107 1.321 4.170 -4.572 0.000 0.245 425 I C 2.784 178.630 176.117 -0.452 0.000 1.097 425 I CA 2.002 63.045 61.300 -0.429 0.000 1.363 425 I CB -1.901 35.838 38.000 -0.435 0.000 1.051 425 I HN 0.987 nan 8.210 nan 0.000 0.413 426 G N 1.033 109.573 108.800 -0.434 0.000 2.440 426 G HA2 -0.275 0.942 3.960 -4.572 0.000 0.218 426 G HA3 -0.275 0.942 3.960 -4.572 0.000 0.218 426 G C 1.472 175.800 174.900 -0.954 0.000 1.154 426 G CA 0.654 45.254 45.100 -0.833 0.000 0.767 426 G HN 0.331 nan 8.290 nan 0.000 0.552 427 N N 0.519 118.936 118.700 -0.471 0.000 2.188 427 N HA -0.009 1.988 4.740 -4.572 0.000 0.184 427 N C 2.205 177.556 175.510 -0.264 0.000 1.018 427 N CA 0.555 53.441 53.050 -0.274 0.000 0.858 427 N CB -0.210 38.175 38.487 -0.169 0.000 0.989 427 N HN 0.368 nan 8.380 nan 0.000 0.426 428 I N 0.772 121.168 120.570 -0.289 0.000 2.179 428 I HA -0.246 1.181 4.170 -4.572 0.000 0.242 428 I C 1.974 178.009 176.117 -0.136 0.000 1.088 428 I CA 0.871 62.047 61.300 -0.208 0.000 1.357 428 I CB -0.216 37.693 38.000 -0.152 0.000 1.051 428 I HN 0.066 nan 8.210 nan 0.000 0.409 429 L N 0.251 121.330 121.223 -0.239 0.000 2.042 429 L HA -0.250 1.347 4.340 -4.572 0.000 0.210 429 L C 2.548 179.339 176.870 -0.131 0.000 1.076 429 L CA 1.538 56.266 54.840 -0.187 0.000 0.749 429 L CB -0.626 41.259 42.059 -0.290 0.000 0.893 429 L HN 0.316 nan 8.230 nan 0.000 0.432 430 E N -0.031 120.057 120.200 -0.186 0.000 2.265 430 E HA -0.160 1.447 4.350 -4.572 0.000 0.196 430 E C 1.438 178.012 176.600 -0.042 0.000 0.996 430 E CA 0.853 57.207 56.400 -0.078 0.000 0.832 430 E CB 0.072 29.772 29.700 -0.001 0.000 0.756 430 E HN 0.517 nan 8.360 nan 0.000 0.491 431 G N 0.558 109.331 108.800 -0.045 0.000 2.163 431 G HA2 -0.260 0.957 3.960 -4.572 0.000 0.213 431 G HA3 -0.260 0.957 3.960 -4.572 0.000 0.213 431 G C 0.781 175.665 174.900 -0.027 0.000 0.991 431 G CA 0.334 45.430 45.100 -0.006 0.000 0.653 431 G HN 0.250 nan 8.290 nan 0.000 0.518 432 K N -0.099 120.261 120.400 -0.066 0.000 2.288 432 K HA 0.245 1.822 4.320 -4.572 0.000 0.201 432 K C 2.315 178.844 176.600 -0.118 0.000 1.048 432 K CA 1.282 57.524 56.287 -0.075 0.000 0.956 432 K CB 0.128 32.584 32.500 -0.074 0.000 0.746 432 K HN 0.351 nan 8.250 nan 0.000 0.461 433 V N 0.576 120.366 119.914 -0.206 0.000 2.326 433 V HA -0.030 1.347 4.120 -4.572 0.000 0.238 433 V C 0.594 176.469 176.094 -0.364 0.000 1.038 433 V CA 1.057 63.124 62.300 -0.389 0.000 1.032 433 V CB -0.125 31.306 31.823 -0.653 0.000 0.675 433 V HN 0.004 nan 8.190 nan 0.000 0.467 434 F N 0.591 120.543 119.950 0.004 0.000 2.421 434 F HA 0.507 2.290 4.527 -4.575 0.000 0.337 434 F C 0.324 176.132 175.800 0.012 0.000 1.105 434 F CA -1.418 56.592 58.000 0.016 0.000 1.049 434 F CB 0.558 39.577 39.000 0.030 0.000 1.139 434 F HN -0.130 nan 8.300 nan 0.000 0.479 435 K N 1.438 121.954 120.400 0.194 0.000 2.339 435 K HA 0.441 2.018 4.320 -4.572 0.000 0.286 435 K C 0.048 176.715 176.600 0.111 0.000 1.050 435 K CA -0.154 56.197 56.287 0.107 0.000 0.956 435 K CB 1.017 33.561 32.500 0.073 0.000 0.990 435 K HN 0.685 nan 8.250 nan 0.000 0.475 436 T N 0.974 115.581 114.554 0.088 0.000 2.883 436 T HA 0.296 1.903 4.350 -4.572 0.000 0.301 436 T C 0.505 175.240 174.700 0.059 0.000 1.158 436 T CA -0.810 61.345 62.100 0.092 0.000 1.007 436 T CB 1.186 70.128 68.868 0.124 0.000 1.186 436 T HN 0.483 nan 8.240 nan 0.000 0.499 437 R N 0.746 121.287 120.500 0.068 0.000 2.112 437 R HA 0.186 1.783 4.340 -4.572 0.000 0.216 437 R C 0.319 176.571 176.300 -0.080 0.000 1.080 437 R CA 0.794 56.891 56.100 -0.005 0.000 0.996 437 R CB -0.086 30.232 30.300 0.030 0.000 0.902 437 R HN 0.599 nan 8.270 nan 0.000 0.449 438 H N -0.050 119.089 119.070 0.116 0.000 2.771 438 H HA 0.270 2.082 4.556 -4.573 0.000 0.361 438 H C -0.427 175.000 175.328 0.164 0.000 1.108 438 H CA -0.345 55.813 56.048 0.184 0.000 1.201 438 H CB 2.369 32.273 29.762 0.237 0.000 1.681 438 H HN 0.036 nan 8.280 nan 0.000 0.534 439 T N 0.354 115.091 114.554 0.304 0.000 2.906 439 T HA 0.813 2.420 4.350 -4.572 0.000 0.295 439 T C 0.159 174.975 174.700 0.193 0.000 1.075 439 T CA -0.713 61.490 62.100 0.171 0.000 1.005 439 T CB 2.779 71.681 68.868 0.056 0.000 1.136 439 T HN 0.796 nan 8.240 nan 0.000 0.498 440 G N 0.680 109.520 108.800 0.067 0.000 2.328 440 G HA2 0.544 1.761 3.960 -4.572 0.000 0.295 440 G HA3 0.544 1.761 3.960 -4.572 0.000 0.295 440 G C -1.542 173.311 174.900 -0.079 0.000 1.413 440 G CA -0.638 44.475 45.100 0.022 0.000 0.817 440 G HN 1.347 nan 8.290 nan 0.000 0.546 441 M N -0.771 118.772 119.600 -0.095 0.000 2.470 441 M HA 0.887 2.624 4.480 -4.572 0.000 0.285 441 M C -0.768 175.540 176.300 0.014 0.000 1.213 441 M CA -0.995 54.249 55.300 -0.093 0.000 0.901 441 M CB 2.324 34.866 32.600 -0.096 0.000 1.718 441 M HN 1.619 nan 8.290 nan 0.000 0.469 442 A N 1.360 124.170 122.820 -0.016 0.000 2.350 442 A HA 0.973 2.550 4.320 -4.572 0.000 0.324 442 A C -0.314 177.150 177.584 -0.199 0.000 1.118 442 A CA -0.473 51.533 52.037 -0.052 0.000 0.783 442 A CB 1.570 20.433 19.000 -0.229 0.000 1.236 442 A HN 1.177 nan 8.150 nan 0.000 0.457 443 G N 0.279 108.691 108.800 -0.645 0.000 2.626 443 G HA2 0.518 1.735 3.960 -4.572 0.000 0.304 443 G HA3 0.518 1.735 3.960 -4.572 0.000 0.304 443 G C -0.980 173.347 174.900 -0.955 0.000 1.385 443 G CA -0.349 43.903 45.100 -1.414 0.000 0.957 443 G HN 0.774 nan 8.290 nan 0.000 0.504 444 V N 4.715 124.127 119.914 -0.837 0.000 2.338 444 V HA 0.100 1.477 4.120 -4.572 0.000 0.255 444 V C 1.436 176.989 176.094 -0.903 0.000 1.082 444 V CA -0.109 61.642 62.300 -0.915 0.000 0.951 444 V CB -0.159 30.989 31.823 -1.126 0.000 1.102 444 V HN 0.772 nan 8.190 nan 0.000 0.489 445 I N 1.051 121.077 120.570 -0.908 0.000 2.731 445 I HA 0.164 1.591 4.170 -4.572 0.000 0.260 445 I C 0.989 176.704 176.117 -0.671 0.000 1.138 445 I CA 0.252 61.024 61.300 -0.880 0.000 1.461 445 I CB -0.461 36.774 38.000 -1.275 0.000 1.128 445 I HN 0.653 nan 8.210 nan 0.000 0.438 446 N N 2.557 120.864 118.700 -0.656 0.000 2.699 446 N HA -0.128 1.869 4.740 -4.572 0.000 0.256 446 N C -2.181 173.197 175.510 -0.219 0.000 0.993 446 N CA -0.113 52.699 53.050 -0.397 0.000 0.759 446 N CB -1.257 36.965 38.487 -0.443 0.000 0.906 446 N HN 0.490 nan 8.380 nan 0.000 0.541 447 P HA 0.339 nan 4.420 nan 0.000 0.277 447 P C 0.492 177.835 177.300 0.072 0.000 1.271 447 P CA 0.042 63.191 63.100 0.083 0.000 0.795 447 P CB 1.296 33.181 31.700 0.308 0.000 1.101 448 G N -1.523 107.331 108.800 0.090 0.000 2.782 448 G HA2 0.408 1.625 3.960 -4.572 0.000 0.304 448 G HA3 0.408 1.625 3.960 -4.572 0.000 0.304 448 G C 0.488 175.330 174.900 -0.096 0.000 1.315 448 G CA -0.007 45.070 45.100 -0.038 0.000 0.791 448 G HN 0.441 nan 8.290 nan 0.000 0.519 449 T N -1.145 113.328 114.554 -0.135 0.000 3.163 449 T HA 0.097 1.704 4.350 -4.572 0.000 0.260 449 T C 0.291 174.899 174.700 -0.155 0.000 1.156 449 T CA 0.510 62.499 62.100 -0.184 0.000 1.072 449 T CB -0.270 68.513 68.868 -0.143 0.000 0.937 449 T HN 0.244 nan 8.240 nan 0.000 0.528 450 D N 1.913 122.268 120.400 -0.076 0.000 2.506 450 D HA 0.109 2.006 4.640 -4.572 0.000 0.234 450 D C 1.272 177.515 176.300 -0.094 0.000 1.143 450 D CA -0.118 53.861 54.000 -0.034 0.000 0.871 450 D CB 0.570 41.399 40.800 0.048 0.000 1.190 450 D HN 0.023 nan 8.370 nan 0.000 0.459 451 R N 2.414 122.885 120.500 -0.048 0.000 2.119 451 R HA -0.190 1.407 4.340 -4.572 0.000 0.246 451 R C 1.014 177.335 176.300 0.034 0.000 1.146 451 R CA 1.692 57.777 56.100 -0.024 0.000 0.962 451 R CB -0.386 29.923 30.300 0.014 0.000 0.863 451 R HN 0.545 nan 8.270 nan 0.000 0.442 452 N N -1.347 117.414 118.700 0.102 0.000 2.313 452 N HA -0.047 1.950 4.740 -4.572 0.000 0.207 452 N C -0.148 175.613 175.510 0.420 0.000 1.141 452 N CA 0.618 53.811 53.050 0.240 0.000 0.830 452 N CB -0.367 38.240 38.487 0.201 0.000 1.008 452 N HN 0.419 nan 8.380 nan 0.000 0.481 453 W N -0.995 120.362 121.300 0.096 0.000 1.002 453 W HA -0.327 1.594 4.660 -4.565 0.000 0.223 453 W C 1.423 178.060 176.519 0.196 0.000 0.933 453 W CA 2.038 59.468 57.345 0.141 0.000 0.361 453 W CB -1.957 27.590 29.460 0.145 0.000 1.930 453 W HN 0.454 nan 8.180 nan 0.000 1.341 454 T N -3.838 110.974 114.554 0.429 0.000 3.040 454 T HA 0.586 2.193 4.350 -4.572 0.000 0.266 454 T C 1.526 176.403 174.700 0.295 0.000 1.005 454 T CA 1.187 63.501 62.100 0.356 0.000 0.906 454 T CB 0.501 69.610 68.868 0.401 0.000 1.082 454 T HN 1.379 nan 8.240 nan 0.000 0.531 455 G N 1.966 110.921 108.800 0.257 0.000 5.426 455 G HA2 -0.328 0.889 3.960 -4.572 0.000 0.297 455 G HA3 -0.328 0.889 3.960 -4.572 0.000 0.297 455 G C -0.025 175.024 174.900 0.248 0.000 1.422 455 G CA 0.193 45.433 45.100 0.234 0.000 0.938 455 G HN 0.939 nan 8.290 nan 0.000 0.754 456 H N 3.819 123.027 119.070 0.229 0.000 2.690 456 H HA 0.468 2.282 4.556 -4.570 0.000 0.314 456 H C -0.899 174.596 175.328 0.278 0.000 1.069 456 H CA -1.013 55.178 56.048 0.239 0.000 1.436 456 H CB 1.658 31.560 29.762 0.234 0.000 1.462 456 H HN 0.133 nan 8.280 nan 0.000 0.511 457 P HA -0.235 nan 4.420 nan 0.000 0.216 457 P C 0.714 178.293 177.300 0.466 0.000 1.154 457 P CA 1.406 64.743 63.100 0.394 0.000 0.865 457 P CB 0.055 31.973 31.700 0.364 0.000 0.789 458 F N -1.583 118.702 119.950 0.557 0.000 2.604 458 F HA -0.074 1.707 4.527 -4.577 0.000 0.298 458 F C 2.135 177.952 175.800 0.029 0.000 1.131 458 F CA 0.610 58.753 58.000 0.239 0.000 1.457 458 F CB -0.993 38.084 39.000 0.129 0.000 1.095 458 F HN -0.260 nan 8.300 nan 0.000 0.574 459 V N -0.299 119.788 119.914 0.289 0.000 2.626 459 V HA -0.291 1.086 4.120 -4.572 0.000 0.252 459 V C 2.083 178.309 176.094 0.221 0.000 1.067 459 V CA 1.602 64.018 62.300 0.192 0.000 1.081 459 V CB -0.686 31.273 31.823 0.227 0.000 0.686 459 V HN 0.379 nan 8.190 nan 0.000 0.468 460 Q N 0.541 120.507 119.800 0.277 0.000 2.135 460 Q HA -0.218 1.379 4.340 -4.572 0.000 0.204 460 Q C 2.452 178.492 176.000 0.067 0.000 0.981 460 Q CA 2.013 58.054 55.803 0.397 0.000 0.856 460 Q CB -0.386 28.676 28.738 0.541 0.000 0.902 460 Q HN 0.811 nan 8.270 nan 0.000 0.425 461 S N -0.245 115.018 115.700 -0.728 0.000 2.402 461 S HA -0.089 1.638 4.470 -4.572 0.000 0.229 461 S C 2.037 176.473 174.600 -0.273 0.000 1.021 461 S CA 1.187 58.552 58.200 -1.391 0.000 0.974 461 S CB -0.129 61.822 63.200 -2.082 0.000 0.800 461 S HN 0.164 nan 8.310 nan 0.000 0.484 462 S N 0.740 116.440 115.700 -0.000 0.000 2.355 462 S HA -0.033 1.694 4.470 -4.572 0.000 0.222 462 S C 1.301 176.092 174.600 0.319 0.000 1.031 462 S CA 0.807 59.094 58.200 0.146 0.000 0.993 462 S CB -0.691 62.526 63.200 0.027 0.000 0.859 462 S HN 0.730 nan 8.310 nan 0.000 0.453 463 W N 1.848 123.203 121.300 0.092 0.000 2.290 463 W HA -0.278 1.661 4.660 -4.535 0.000 0.323 463 W C 2.133 178.706 176.519 0.090 0.000 1.260 463 W CA 1.633 59.066 57.345 0.148 0.000 1.266 463 W CB -1.324 28.292 29.460 0.260 0.000 1.149 463 W HN 0.399 nan 8.180 nan 0.000 0.482 464 Y N 0.789 121.089 120.300 -0.000 0.000 2.097 464 Y HA -0.203 1.607 4.550 -4.566 0.000 0.282 464 Y C 2.654 178.432 175.900 -0.202 0.000 1.152 464 Y CA 3.413 61.190 58.100 -0.538 0.000 1.136 464 Y CB -1.097 36.874 38.460 -0.815 0.000 0.975 464 Y HN -0.052 nan 8.280 nan 0.000 0.498 465 A N 0.044 122.935 122.820 0.119 0.000 1.892 465 A HA -0.277 1.300 4.320 -4.572 0.000 0.218 465 A C 2.206 179.833 177.584 0.071 0.000 1.188 465 A CA 1.836 53.951 52.037 0.131 0.000 0.631 465 A CB -1.677 17.485 19.000 0.270 0.000 0.822 465 A HN 0.679 nan 8.150 nan 0.000 0.447 466 F N 1.208 121.198 119.950 0.066 0.000 2.095 466 F HA -0.087 4.171 4.527 -0.447 0.000 0.298 466 F C 2.280 178.004 175.800 -0.128 0.000 1.104 466 F CA 1.767 59.689 58.000 -0.130 0.000 1.232 466 F CB -0.828 38.057 39.000 -0.191 0.000 0.987 466 F HN 0.182 nan 8.300 nan 0.000 0.475 467 G N 0.556 109.209 108.800 -0.244 0.000 2.418 467 G HA2 -0.220 0.997 3.960 -4.572 0.000 0.217 467 G HA3 -0.220 0.997 3.960 -4.572 0.000 0.217 467 G C 1.794 176.436 174.900 -0.431 0.000 1.158 467 G CA 0.557 45.438 45.100 -0.365 0.000 0.771 467 G HN 0.211 nan 8.290 nan 0.000 0.545 468 R N -0.119 120.091 120.500 -0.484 0.000 2.096 468 R HA 0.108 1.705 4.340 -4.572 0.000 0.235 468 R C 2.587 178.760 176.300 -0.212 0.000 1.127 468 R CA 0.950 56.809 56.100 -0.403 0.000 0.968 468 R CB -0.681 29.338 30.300 -0.468 0.000 0.861 468 R HN 0.421 nan 8.270 nan 0.000 0.440 469 M N -0.213 119.248 119.600 -0.232 0.000 2.349 469 M HA 0.016 1.753 4.480 -4.572 0.000 0.266 469 M C 2.275 178.471 176.300 -0.175 0.000 1.076 469 M CA 1.251 56.461 55.300 -0.149 0.000 1.126 469 M CB -0.188 32.352 32.600 -0.101 0.000 1.392 469 M HN 0.106 nan 8.290 nan 0.000 0.440 470 A N 0.022 122.624 122.820 -0.364 0.000 1.972 470 A HA -0.202 1.375 4.320 -4.572 0.000 0.219 470 A C 2.010 179.501 177.584 -0.156 0.000 1.169 470 A CA 1.064 52.900 52.037 -0.335 0.000 0.635 470 A CB -0.989 17.671 19.000 -0.567 0.000 0.810 470 A HN 0.792 nan 8.150 nan 0.000 0.446 471 W N 0.234 121.355 121.300 -0.299 0.000 2.443 471 W HA 0.033 1.938 4.660 -4.591 0.000 0.296 471 W C -0.754 175.645 176.519 -0.200 0.000 1.202 471 W CA 1.649 58.848 57.345 -0.243 0.000 1.312 471 W CB 0.169 29.463 29.460 -0.276 0.000 1.120 471 W HN 0.351 nan 8.180 nan 0.000 0.536 472 D N -1.034 119.381 120.400 0.025 0.000 2.478 472 D HA 0.031 1.928 4.640 -4.572 0.000 0.240 472 D C 1.140 177.354 176.300 -0.143 0.000 1.364 472 D CA -0.311 53.620 54.000 -0.114 0.000 0.987 472 D CB 0.223 41.018 40.800 -0.008 0.000 1.328 472 D HN 0.230 nan 8.370 nan 0.000 0.584 473 H N 2.035 121.055 119.070 -0.084 0.000 2.545 473 H HA 0.007 1.816 4.556 -4.579 0.000 0.282 473 H C 0.321 175.618 175.328 -0.051 0.000 1.020 473 H CA 0.553 56.558 56.048 -0.072 0.000 1.243 473 H CB 0.330 30.041 29.762 -0.085 0.000 1.377 473 H HN 0.436 nan 8.280 nan 0.000 0.581 474 Q N 0.779 120.434 119.800 -0.241 0.000 2.360 474 Q HA 0.244 1.841 4.340 -4.572 0.000 0.202 474 Q C 0.400 176.364 176.000 -0.061 0.000 0.915 474 Q CA -0.286 55.452 55.803 -0.108 0.000 0.943 474 Q CB 0.623 29.262 28.738 -0.166 0.000 1.064 474 Q HN 0.451 nan 8.270 nan 0.000 0.511 475 I N 2.180 122.713 120.570 -0.062 0.000 2.618 475 I HA -0.071 1.356 4.170 -4.572 0.000 0.284 475 I C 0.793 176.905 176.117 -0.008 0.000 1.146 475 I CA -0.057 61.223 61.300 -0.033 0.000 1.425 475 I CB 0.704 38.677 38.000 -0.044 0.000 1.383 475 I HN 0.095 nan 8.210 nan 0.000 0.562 476 S N 5.006 120.711 115.700 0.009 0.000 2.617 476 S HA 0.411 2.138 4.470 -4.572 0.000 0.269 476 S C 1.064 175.692 174.600 0.047 0.000 1.292 476 S CA -0.278 57.934 58.200 0.020 0.000 1.010 476 S CB 1.758 64.973 63.200 0.025 0.000 0.944 476 S HN 0.719 nan 8.310 nan 0.000 0.536 477 A N 1.859 124.699 122.820 0.035 0.000 1.933 477 A HA 0.130 1.707 4.320 -4.572 0.000 0.218 477 A C 2.354 180.072 177.584 0.222 0.000 1.175 477 A CA 1.785 53.879 52.037 0.094 0.000 0.628 477 A CB -1.635 17.336 19.000 -0.048 0.000 0.814 477 A HN 1.341 nan 8.150 nan 0.000 0.444 478 A N -1.044 121.853 122.820 0.128 0.000 1.877 478 A HA -0.083 1.495 4.320 -4.572 0.000 0.216 478 A C 2.316 179.964 177.584 0.106 0.000 1.186 478 A CA 2.279 54.383 52.037 0.113 0.000 0.620 478 A CB -1.267 17.776 19.000 0.071 0.000 0.822 478 A HN 0.418 nan 8.150 nan 0.000 0.443 479 T N 0.305 114.915 114.554 0.093 0.000 2.708 479 T HA -0.038 1.569 4.350 -4.572 0.000 0.266 479 T C 2.220 176.993 174.700 0.122 0.000 1.037 479 T CA 1.669 63.823 62.100 0.090 0.000 1.146 479 T CB -0.461 68.443 68.868 0.060 0.000 0.865 479 T HN 0.596 nan 8.240 nan 0.000 0.435 480 A N 1.262 124.173 122.820 0.152 0.000 1.933 480 A HA 0.166 1.743 4.320 -4.572 0.000 0.218 480 A C 2.593 180.315 177.584 0.230 0.000 1.175 480 A CA 1.808 53.991 52.037 0.245 0.000 0.628 480 A CB -0.965 18.179 19.000 0.240 0.000 0.814 480 A HN 0.510 nan 8.150 nan 0.000 0.444 481 A N -0.455 122.441 122.820 0.126 0.000 1.929 481 A HA -0.164 1.413 4.320 -4.572 0.000 0.216 481 A C 1.955 179.594 177.584 0.093 0.000 1.176 481 A CA 1.644 53.673 52.037 -0.013 0.000 0.628 481 A CB -0.560 18.358 19.000 -0.137 0.000 0.816 481 A HN 0.583 nan 8.150 nan 0.000 0.444 482 D N -0.313 120.144 120.400 0.094 0.000 2.104 482 D HA -0.196 1.702 4.640 -4.572 0.000 0.194 482 D C 1.809 178.164 176.300 0.092 0.000 0.994 482 D CA 1.699 55.756 54.000 0.094 0.000 0.830 482 D CB -0.068 40.790 40.800 0.096 0.000 0.959 482 D HN 0.628 nan 8.370 nan 0.000 0.452 483 E N -0.403 119.855 120.200 0.097 0.000 2.038 483 E HA -0.195 1.412 4.350 -4.572 0.000 0.195 483 E C 1.917 178.450 176.600 -0.113 0.000 1.000 483 E CA 1.069 57.501 56.400 0.054 0.000 0.803 483 E CB -0.348 29.436 29.700 0.140 0.000 0.750 483 E HN 0.422 nan 8.360 nan 0.000 0.448 484 W N 1.411 122.422 121.300 -0.483 0.000 2.358 484 W HA -0.161 1.771 4.660 -4.546 0.000 0.303 484 W C 1.733 178.080 176.519 -0.288 0.000 1.208 484 W CA 1.295 58.207 57.345 -0.720 0.000 1.274 484 W CB -0.203 28.775 29.460 -0.804 0.000 1.138 484 W HN -0.018 nan 8.180 nan 0.000 0.515 485 L N 0.162 121.358 121.223 -0.044 0.000 2.056 485 L HA -0.155 1.442 4.340 -4.572 0.000 0.207 485 L C 2.715 179.585 176.870 0.001 0.000 1.078 485 L CA 1.457 56.305 54.840 0.012 0.000 0.749 485 L CB -0.758 41.458 42.059 0.262 0.000 0.901 485 L HN -0.097 nan 8.230 nan 0.000 0.433 486 R N -0.435 120.063 120.500 -0.004 0.000 2.081 486 R HA -0.141 1.456 4.340 -4.572 0.000 0.235 486 R C 2.277 178.518 176.300 -0.097 0.000 1.131 486 R CA 1.492 57.589 56.100 -0.004 0.000 0.960 486 R CB -0.290 30.032 30.300 0.037 0.000 0.856 486 R HN 0.316 nan 8.270 nan 0.000 0.436 487 M N -0.773 118.712 119.600 -0.192 0.000 2.254 487 M HA -0.082 1.655 4.480 -4.572 0.000 0.265 487 M C 1.767 177.858 176.300 -0.349 0.000 1.066 487 M CA 1.477 56.649 55.300 -0.213 0.000 1.123 487 M CB 0.115 32.606 32.600 -0.182 0.000 1.388 487 M HN 0.070 nan 8.290 nan 0.000 0.425 488 T N -1.004 113.184 114.554 -0.610 0.000 3.010 488 T HA 0.130 1.737 4.350 -4.572 0.000 0.252 488 T C 0.921 175.096 174.700 -0.876 0.000 1.047 488 T CA 0.862 62.408 62.100 -0.924 0.000 1.140 488 T CB 0.158 67.999 68.868 -1.711 0.000 0.885 488 T HN 0.150 nan 8.240 nan 0.000 0.464 489 F N 0.211 119.956 119.950 -0.341 0.000 2.268 489 F HA 0.520 2.302 4.527 -4.574 0.000 0.262 489 F C 0.802 176.421 175.800 -0.303 0.000 0.910 489 F CA -0.330 57.508 58.000 -0.271 0.000 1.142 489 F CB 0.440 39.324 39.000 -0.194 0.000 1.229 489 F HN -0.012 nan 8.300 nan 0.000 0.781 490 S N -0.865 114.802 115.700 -0.054 0.000 2.565 490 S HA 0.288 2.015 4.470 -4.572 0.000 0.274 490 S C -0.863 173.738 174.600 0.001 0.000 1.144 490 S CA -0.669 57.452 58.200 -0.131 0.000 0.849 490 S CB 0.823 63.753 63.200 -0.449 0.000 1.103 490 S HN 0.156 nan 8.310 nan 0.000 0.455 491 N N 1.470 120.168 118.700 -0.004 0.000 2.230 491 N HA 0.098 2.095 4.740 -4.572 0.000 0.202 491 N C -0.572 174.946 175.510 0.013 0.000 1.119 491 N CA -0.011 53.055 53.050 0.026 0.000 0.851 491 N CB 0.368 38.869 38.487 0.024 0.000 0.990 491 N HN 0.554 nan 8.380 nan 0.000 0.497 492 Q N 1.020 120.808 119.800 -0.019 0.000 2.286 492 Q HA 0.109 1.706 4.340 -4.572 0.000 0.267 492 Q C -1.497 174.465 176.000 -0.065 0.000 1.028 492 Q CA -1.267 54.496 55.803 -0.066 0.000 0.901 492 Q CB 1.081 29.711 28.738 -0.181 0.000 1.183 492 Q HN 0.121 nan 8.270 nan 0.000 0.392 493 P HA -0.165 nan 4.420 nan 0.000 0.216 493 P C 0.800 178.052 177.300 -0.080 0.000 1.150 493 P CA 1.554 64.628 63.100 -0.042 0.000 0.837 493 P CB 0.222 31.905 31.700 -0.028 0.000 0.786 494 A N -1.766 120.976 122.820 -0.131 0.000 2.067 494 A HA -0.133 1.444 4.320 -4.572 0.000 0.219 494 A C 1.978 179.418 177.584 -0.239 0.000 1.158 494 A CA 0.993 52.945 52.037 -0.142 0.000 0.661 494 A CB -1.588 17.371 19.000 -0.069 0.000 0.801 494 A HN 0.206 nan 8.150 nan 0.000 0.452 495 F N -0.039 119.563 119.950 -0.579 0.000 2.262 495 F HA 0.068 1.851 4.527 -4.574 0.000 0.292 495 F C 1.810 177.499 175.800 -0.185 0.000 1.081 495 F CA 0.657 58.356 58.000 -0.503 0.000 1.355 495 F CB 0.027 38.607 39.000 -0.700 0.000 1.069 495 F HN 0.077 nan 8.300 nan 0.000 0.506 496 I N 0.903 121.385 120.570 -0.147 0.000 2.179 496 I HA -0.231 1.196 4.170 -4.572 0.000 0.242 496 I C 2.368 178.377 176.117 -0.180 0.000 1.088 496 I CA 1.644 62.855 61.300 -0.148 0.000 1.357 496 I CB -1.279 36.733 38.000 0.019 0.000 1.051 496 I HN 0.244 nan 8.210 nan 0.000 0.409 497 E N 1.528 121.656 120.200 -0.121 0.000 2.023 497 E HA -0.167 1.440 4.350 -4.572 0.000 0.196 497 E C -0.678 175.864 176.600 -0.098 0.000 1.003 497 E CA 1.877 58.229 56.400 -0.080 0.000 0.809 497 E CB -1.236 28.434 29.700 -0.050 0.000 0.755 497 E HN 0.244 nan 8.360 nan 0.000 0.449 498 P HA -0.126 nan 4.420 nan 0.000 0.215 498 P C 1.522 178.756 177.300 -0.110 0.000 1.157 498 P CA 1.179 64.223 63.100 -0.093 0.000 0.863 498 P CB -0.069 31.586 31.700 -0.075 0.000 0.787 499 V N 0.619 120.382 119.914 -0.252 0.000 2.515 499 V HA -0.194 1.183 4.120 -4.572 0.000 0.250 499 V C 2.731 178.793 176.094 -0.053 0.000 1.058 499 V CA 1.793 63.982 62.300 -0.184 0.000 1.064 499 V CB -1.173 30.343 31.823 -0.511 0.000 0.675 499 V HN 0.163 nan 8.190 nan 0.000 0.461 500 K N -0.280 120.071 120.400 -0.081 0.000 2.057 500 K HA -0.210 1.367 4.320 -4.572 0.000 0.206 500 K C 2.310 178.917 176.600 0.011 0.000 1.050 500 K CA 1.332 57.614 56.287 -0.008 0.000 0.935 500 K CB -0.084 32.412 32.500 -0.006 0.000 0.715 500 K HN 0.320 nan 8.250 nan 0.000 0.439 501 Q N 0.493 120.289 119.800 -0.005 0.000 2.084 501 Q HA -0.201 1.396 4.340 -4.572 0.000 0.202 501 Q C 2.031 178.038 176.000 0.012 0.000 0.978 501 Q CA 1.610 57.419 55.803 0.009 0.000 0.844 501 Q CB -0.339 28.399 28.738 0.001 0.000 0.898 501 Q HN 0.481 nan 8.270 nan 0.000 0.426 502 M N -0.310 119.292 119.600 0.002 0.000 2.082 502 M HA -0.222 1.515 4.480 -4.572 0.000 0.258 502 M C 2.058 178.350 176.300 -0.013 0.000 1.069 502 M CA 1.529 56.825 55.300 -0.008 0.000 1.102 502 M CB -0.061 32.534 32.600 -0.008 0.000 1.336 502 M HN 0.205 nan 8.290 nan 0.000 0.404 503 M N 0.020 119.631 119.600 0.019 0.000 2.108 503 M HA -0.245 1.492 4.480 -4.572 0.000 0.261 503 M C 2.010 178.404 176.300 0.157 0.000 1.066 503 M CA 1.570 56.907 55.300 0.063 0.000 1.107 503 M CB -0.521 32.076 32.600 -0.006 0.000 1.356 503 M HN 0.348 nan 8.290 nan 0.000 0.406 504 L N -0.981 120.320 121.223 0.128 0.000 2.201 504 L HA -0.138 1.459 4.340 -4.572 0.000 0.212 504 L C 2.336 179.223 176.870 0.028 0.000 1.105 504 L CA 0.523 55.431 54.840 0.112 0.000 0.775 504 L CB -0.461 41.646 42.059 0.080 0.000 0.913 504 L HN 0.183 nan 8.230 nan 0.000 0.440 505 V N -0.817 119.106 119.914 0.015 0.000 3.174 505 V HA -0.135 1.242 4.120 -4.572 0.000 0.254 505 V C 2.499 178.582 176.094 -0.019 0.000 1.120 505 V CA 1.281 63.577 62.300 -0.006 0.000 1.114 505 V CB 0.305 32.129 31.823 0.002 0.000 0.756 505 V HN 0.615 nan 8.190 nan 0.000 0.467 506 S N 0.748 116.434 115.700 -0.023 0.000 2.374 506 S HA -0.309 1.419 4.470 -4.572 0.000 0.227 506 S C 2.192 176.758 174.600 -0.057 0.000 1.037 506 S CA 1.644 59.821 58.200 -0.039 0.000 1.024 506 S CB -0.713 62.446 63.200 -0.069 0.000 0.861 506 S HN 0.584 nan 8.310 nan 0.000 0.456 507 R N 1.577 122.002 120.500 -0.125 0.000 2.080 507 R HA -0.100 1.497 4.340 -4.572 0.000 0.236 507 R C 2.276 178.562 176.300 -0.025 0.000 1.137 507 R CA 2.231 58.237 56.100 -0.158 0.000 0.943 507 R CB -0.966 29.148 30.300 -0.309 0.000 0.846 507 R HN 0.529 nan 8.270 nan 0.000 0.431 508 E N 0.210 120.375 120.200 -0.058 0.000 2.110 508 E HA -0.068 1.539 4.350 -4.572 0.000 0.193 508 E C 1.770 178.317 176.600 -0.088 0.000 0.988 508 E CA 1.552 57.916 56.400 -0.060 0.000 0.804 508 E CB -0.292 29.380 29.700 -0.047 0.000 0.745 508 E HN 0.420 nan 8.360 nan 0.000 0.458 509 A N 0.071 122.859 122.820 -0.052 0.000 1.883 509 A HA -0.131 1.446 4.320 -4.572 0.000 0.217 509 A C 2.470 179.887 177.584 -0.279 0.000 1.186 509 A CA 1.929 53.952 52.037 -0.022 0.000 0.624 509 A CB -1.363 17.698 19.000 0.103 0.000 0.822 509 A HN 0.405 nan 8.150 nan 0.000 0.444 510 G N -0.934 107.674 108.800 -0.320 0.000 2.448 510 G HA2 -0.049 1.168 3.960 -4.572 0.000 0.219 510 G HA3 -0.049 1.168 3.960 -4.572 0.000 0.219 510 G C 1.446 175.884 174.900 -0.770 0.000 1.127 510 G CA 1.160 45.838 45.100 -0.703 0.000 0.766 510 G HN 0.333 nan 8.290 nan 0.000 0.552 511 V N 1.061 120.732 119.914 -0.406 0.000 2.323 511 V HA -0.182 1.195 4.120 -4.572 0.000 0.244 511 V C 2.514 178.327 176.094 -0.468 0.000 1.041 511 V CA 2.074 64.140 62.300 -0.390 0.000 1.025 511 V CB -0.696 31.010 31.823 -0.194 0.000 0.656 511 V HN 0.430 nan 8.190 nan 0.000 0.451 512 N N -0.134 118.335 118.700 -0.384 0.000 2.084 512 N HA -0.209 1.789 4.740 -4.572 0.000 0.190 512 N C 1.801 177.081 175.510 -0.384 0.000 1.030 512 N CA 1.800 54.647 53.050 -0.339 0.000 0.849 512 N CB -0.270 38.115 38.487 -0.169 0.000 1.012 512 N HN 0.799 nan 8.380 nan 0.000 0.423 513 Y N -0.346 119.800 120.300 -0.255 0.000 2.529 513 Y HA 0.288 2.096 4.550 -4.570 0.000 0.290 513 Y C 1.704 177.580 175.900 -0.041 0.000 1.177 513 Y CA -0.053 57.993 58.100 -0.090 0.000 1.305 513 Y CB -0.057 38.367 38.460 -0.059 0.000 1.047 513 Y HN -0.088 nan 8.280 nan 0.000 0.522 514 R N 0.552 120.779 120.500 -0.454 0.000 2.167 514 R HA 0.254 1.851 4.340 -4.572 0.000 0.195 514 R C -0.188 176.026 176.300 -0.144 0.000 1.027 514 R CA 0.985 56.771 56.100 -0.523 0.000 1.114 514 R CB 0.390 29.953 30.300 -1.227 0.000 1.075 514 R HN 0.311 nan 8.270 nan 0.000 0.538 515 S N 0.501 115.969 115.700 -0.386 0.000 2.828 515 S HA 0.241 1.968 4.470 -4.572 0.000 0.149 515 S C -2.870 171.527 174.600 -0.338 0.000 0.924 515 S CA -1.231 56.812 58.200 -0.262 0.000 1.044 515 S CB 1.543 64.616 63.200 -0.212 0.000 1.595 515 S HN -0.071 nan 8.310 nan 0.000 0.454 516 P HA 0.523 nan 4.420 nan 0.000 0.282 516 P C 0.697 177.861 177.300 -0.227 0.000 1.287 516 P CA -0.448 62.459 63.100 -0.321 0.000 0.792 516 P CB 0.354 31.832 31.700 -0.369 0.000 1.163 517 L N -2.413 118.717 121.223 -0.156 0.000 4.429 517 L HA -0.301 1.296 4.340 -4.572 0.000 0.422 517 L C 1.162 177.948 176.870 -0.141 0.000 1.149 517 L CA 0.716 55.485 54.840 -0.117 0.000 0.972 517 L CB -2.640 39.355 42.059 -0.107 0.000 2.059 517 L HN 0.864 nan 8.230 nan 0.000 0.870 518 G N -1.210 107.487 108.800 -0.171 0.000 2.176 518 G HA2 -0.255 0.962 3.960 -4.572 0.000 0.232 518 G HA3 -0.255 0.962 3.960 -4.572 0.000 0.232 518 G C 0.248 174.738 174.900 -0.682 0.000 0.986 518 G CA 0.163 45.065 45.100 -0.330 0.000 0.643 518 G HN 0.245 nan 8.290 nan 0.000 0.522 519 L N 0.442 121.425 121.223 -0.400 0.000 2.473 519 L HA 0.636 2.233 4.340 -4.572 0.000 0.268 519 L C 0.887 177.501 176.870 -0.426 0.000 1.215 519 L CA 0.812 55.445 54.840 -0.345 0.000 0.823 519 L CB 1.252 43.223 42.059 -0.148 0.000 1.099 519 L HN 0.243 nan 8.230 nan 0.000 0.483 520 T N -0.573 113.774 114.554 -0.345 0.000 2.830 520 T HA 0.204 1.811 4.350 -4.572 0.000 0.322 520 T C -0.447 174.172 174.700 -0.136 0.000 1.501 520 T CA -0.407 61.488 62.100 -0.342 0.000 1.036 520 T CB 0.557 68.994 68.868 -0.719 0.000 1.379 520 T HN 0.780 nan 8.240 nan 0.000 0.493 521 H N 2.086 121.002 119.070 -0.257 0.000 2.819 521 H HA -0.099 1.713 4.556 -4.573 0.000 0.315 521 H C -0.065 175.259 175.328 -0.006 0.000 1.242 521 H CA 0.934 56.865 56.048 -0.194 0.000 1.157 521 H CB -1.117 28.245 29.762 -0.667 0.000 1.451 521 H HN 0.480 nan 8.280 nan 0.000 0.430 522 L N 0.625 121.807 121.223 -0.069 0.000 2.741 522 L HA 0.142 1.739 4.340 -4.572 0.000 0.237 522 L C 0.542 177.269 176.870 -0.239 0.000 1.178 522 L CA -0.083 54.708 54.840 -0.082 0.000 0.973 522 L CB -0.089 41.968 42.059 -0.004 0.000 1.255 522 L HN 0.105 nan 8.230 nan 0.000 0.498 523 Y N 0.142 120.409 120.300 -0.055 0.000 2.326 523 Y HA 0.067 1.876 4.550 -4.568 0.000 0.333 523 Y C 1.359 177.199 175.900 -0.100 0.000 1.240 523 Y CA 0.060 58.157 58.100 -0.005 0.000 1.365 523 Y CB 0.760 39.281 38.460 0.101 0.000 1.289 523 Y HN -0.100 nan 8.280 nan 0.000 0.548 524 S N 2.952 118.663 115.700 0.017 0.000 2.575 524 S HA -0.008 1.719 4.470 -4.572 0.000 0.295 524 S C -0.428 174.255 174.600 0.138 0.000 1.267 524 S CA -0.714 57.493 58.200 0.011 0.000 1.074 524 S CB -0.039 63.151 63.200 -0.015 0.000 0.829 524 S HN 0.458 nan 8.310 nan 0.000 0.497 525 Q N 3.238 123.104 119.800 0.110 0.000 2.256 525 Q HA 0.406 2.003 4.340 -4.572 0.000 0.257 525 Q C 0.789 176.822 176.000 0.056 0.000 0.936 525 Q CA -0.235 55.637 55.803 0.115 0.000 0.903 525 Q CB 1.680 30.550 28.738 0.221 0.000 1.263 525 Q HN 0.877 nan 8.270 nan 0.000 0.440 526 G N 1.369 110.144 108.800 -0.042 0.000 3.393 526 G HA2 -0.051 1.166 3.960 -4.572 0.000 0.255 526 G HA3 -0.051 1.166 3.960 -4.572 0.000 0.255 526 G C 0.601 174.852 174.900 -1.081 0.000 1.097 526 G CA -0.100 44.823 45.100 -0.294 0.000 0.780 526 G HN 0.644 nan 8.290 nan 0.000 0.540 527 D N 0.175 119.972 120.400 -1.005 0.000 2.194 527 D HA -0.128 1.769 4.640 -4.572 0.000 0.204 527 D C 0.601 176.794 176.300 -0.178 0.000 0.964 527 D CA 0.625 54.120 54.000 -0.843 0.000 0.846 527 D CB -0.356 40.249 40.800 -0.325 0.000 0.962 527 D HN 0.302 nan 8.370 nan 0.000 0.490 528 H N -1.751 117.349 119.070 0.051 0.000 3.109 528 H HA -0.214 1.598 4.556 -4.573 0.000 0.245 528 H C 0.500 175.943 175.328 0.191 0.000 1.187 528 H CA 0.809 56.930 56.048 0.121 0.000 1.136 528 H CB -2.583 27.091 29.762 -0.146 0.000 1.243 528 H HN 0.366 nan 8.280 nan 0.000 0.328 529 Y N 1.023 121.291 120.300 -0.055 0.000 2.176 529 Y HA 0.309 2.114 4.550 -4.575 0.000 0.291 529 Y C 1.817 177.691 175.900 -0.043 0.000 1.122 529 Y CA 1.494 59.280 58.100 -0.523 0.000 1.128 529 Y CB 0.152 38.171 38.460 -0.734 0.000 1.005 529 Y HN 0.302 nan 8.280 nan 0.000 0.509 530 G N -0.089 108.633 108.800 -0.130 0.000 2.552 530 G HA2 0.497 1.714 3.960 -4.572 0.000 0.324 530 G HA3 0.497 1.714 3.960 -4.572 0.000 0.324 530 G C -2.887 171.411 174.900 -1.004 0.000 1.217 530 G CA -1.754 43.019 45.100 -0.546 0.000 0.989 530 G HN -0.035 nan 8.290 nan 0.000 0.490 531 P HA 0.431 nan 4.420 nan 0.000 0.274 531 P C -0.464 176.223 177.300 -1.020 0.000 1.231 531 P CA -0.163 61.897 63.100 -1.733 0.000 0.790 531 P CB 1.774 32.618 31.700 -1.427 0.000 0.951 532 A N 2.960 125.102 122.820 -1.129 0.000 3.189 532 A HA 0.291 1.868 4.320 -4.572 0.000 0.213 532 A C -2.050 174.640 177.584 -1.489 0.000 1.205 532 A CA -0.396 50.711 52.037 -1.551 0.000 1.238 532 A CB -0.151 18.413 19.000 -0.725 0.000 1.268 532 A HN 0.289 nan 8.150 nan 0.000 0.785 533 P HA -0.102 nan 4.420 nan 0.000 0.230 533 P C 0.845 177.521 177.300 -1.040 0.000 1.158 533 P CA 1.022 63.554 63.100 -0.946 0.000 0.769 533 P CB -0.387 30.750 31.700 -0.939 0.000 0.807 534 W N -1.257 119.582 121.300 -0.769 0.000 3.278 534 W HA 0.338 2.257 4.660 -4.568 0.000 0.308 534 W C -0.056 176.395 176.519 -0.115 0.000 1.253 534 W CA -0.437 56.547 57.345 -0.601 0.000 1.759 534 W CB -1.980 27.210 29.460 -0.450 0.000 1.093 534 W HN -0.353 nan 8.180 nan 0.000 0.648 535 T N 3.286 117.725 114.554 -0.193 0.000 2.849 535 T HA -0.019 1.588 4.350 -4.572 0.000 0.289 535 T C -0.169 174.643 174.700 0.186 0.000 1.010 535 T CA 1.039 63.188 62.100 0.081 0.000 1.161 535 T CB 0.281 69.164 68.868 0.025 0.000 0.989 535 T HN 0.178 nan 8.240 nan 0.000 0.523 536 D N 0.974 121.504 120.400 0.217 0.000 2.812 536 D HA 0.181 2.078 4.640 -4.572 0.000 0.318 536 D C -0.810 175.594 176.300 0.174 0.000 1.234 536 D CA -0.068 54.051 54.000 0.197 0.000 0.989 536 D CB 1.603 42.520 40.800 0.195 0.000 1.442 536 D HN 0.672 nan 8.370 nan 0.000 0.537 537 D N 0.867 121.354 120.400 0.145 0.000 2.735 537 D HA -0.214 1.683 4.640 -4.572 0.000 0.235 537 D C -1.141 175.233 176.300 0.124 0.000 1.175 537 D CA 0.661 54.732 54.000 0.118 0.000 0.683 537 D CB -1.693 39.172 40.800 0.108 0.000 1.008 537 D HN 0.225 nan 8.370 nan 0.000 0.416 538 L N -0.134 121.169 121.223 0.133 0.000 2.322 538 L HA 0.390 1.987 4.340 -4.572 0.000 0.269 538 L C -0.770 176.138 176.870 0.062 0.000 1.012 538 L CA -2.318 52.605 54.840 0.137 0.000 0.815 538 L CB 1.350 43.546 42.059 0.229 0.000 1.295 538 L HN -0.184 nan 8.230 nan 0.000 0.438 539 P HA -0.171 nan 4.420 nan 0.000 0.217 539 P C -0.550 176.682 177.300 -0.113 0.000 1.158 539 P CA 1.523 64.593 63.100 -0.050 0.000 0.887 539 P CB 0.046 31.696 31.700 -0.084 0.000 0.792 540 R N -1.373 119.009 120.500 -0.197 0.000 2.445 540 R HA 0.717 2.314 4.340 -4.572 0.000 0.308 540 R C 0.787 177.018 176.300 -0.115 0.000 0.961 540 R CA -0.373 55.581 56.100 -0.244 0.000 0.862 540 R CB 1.233 31.207 30.300 -0.544 0.000 1.144 540 R HN -0.187 nan 8.270 nan 0.000 0.447 541 A N 2.352 125.125 122.820 -0.079 0.000 1.969 541 A HA -0.188 1.389 4.320 -4.572 0.000 0.218 541 A C 1.243 178.657 177.584 -0.284 0.000 1.169 541 A CA 1.552 53.574 52.037 -0.025 0.000 0.635 541 A CB -0.455 18.610 19.000 0.109 0.000 0.810 541 A HN 0.912 nan 8.150 nan 0.000 0.445 542 D N -2.414 117.650 120.400 -0.561 0.000 2.338 542 D HA -0.083 1.814 4.640 -4.572 0.000 0.239 542 D C 0.602 176.930 176.300 0.045 0.000 1.095 542 D CA -0.017 53.416 54.000 -0.945 0.000 0.888 542 D CB -0.383 40.040 40.800 -0.628 0.000 0.899 542 D HN 0.561 nan 8.370 nan 0.000 0.525 543 W N 1.413 122.702 121.300 -0.017 0.000 3.220 543 W HA 0.223 2.143 4.660 -4.567 0.000 0.328 543 W C 0.749 177.498 176.519 0.385 0.000 1.205 543 W CA -0.522 56.976 57.345 0.255 0.000 1.773 543 W CB -0.498 29.119 29.460 0.261 0.000 1.086 543 W HN -0.060 nan 8.180 nan 0.000 0.622 544 T N -2.955 111.868 114.554 0.448 0.000 2.849 544 T HA 0.662 2.269 4.350 -4.572 0.000 0.276 544 T C 1.250 176.271 174.700 0.535 0.000 0.971 544 T CA 0.110 62.456 62.100 0.411 0.000 0.949 544 T CB 2.045 71.078 68.868 0.276 0.000 1.093 544 T HN -0.105 nan 8.240 nan 0.000 0.545 545 A N 0.321 123.387 122.820 0.411 0.000 1.924 545 A HA 0.210 1.787 4.320 -4.572 0.000 0.211 545 A C 2.477 180.247 177.584 0.310 0.000 1.198 545 A CA 1.097 53.399 52.037 0.442 0.000 0.657 545 A CB -1.207 17.923 19.000 0.216 0.000 0.852 545 A HN 1.323 nan 8.150 nan 0.000 0.454 546 V N -2.412 117.592 119.914 0.150 0.000 2.594 546 V HA -0.287 1.090 4.120 -4.572 0.000 0.253 546 V C 2.231 178.211 176.094 -0.191 0.000 1.069 546 V CA 2.235 64.418 62.300 -0.195 0.000 1.082 546 V CB -1.467 30.419 31.823 0.105 0.000 0.680 546 V HN 0.544 nan 8.190 nan 0.000 0.469 547 Y N 0.988 121.212 120.300 -0.126 0.000 2.151 547 Y HA -0.265 1.542 4.550 -4.572 0.000 0.284 547 Y C 2.246 178.009 175.900 -0.228 0.000 1.166 547 Y CA 2.388 60.364 58.100 -0.207 0.000 1.163 547 Y CB -0.400 37.868 38.460 -0.321 0.000 0.974 547 Y HN 0.354 nan 8.280 nan 0.000 0.511 548 Y N -1.368 119.057 120.300 0.209 0.000 2.301 548 Y HA -0.064 1.745 4.550 -4.568 0.000 0.295 548 Y C 2.502 178.483 175.900 0.134 0.000 1.119 548 Y CA 1.648 59.843 58.100 0.160 0.000 1.162 548 Y CB -0.623 37.887 38.460 0.083 0.000 1.046 548 Y HN 0.426 nan 8.280 nan 0.000 0.538 549 H N -2.064 117.208 119.070 0.337 0.000 2.595 549 H HA 0.311 2.123 4.556 -4.573 0.000 0.265 549 H C 0.592 176.050 175.328 0.217 0.000 0.953 549 H CA -0.181 56.010 56.048 0.238 0.000 1.197 549 H CB -0.228 29.728 29.762 0.324 0.000 1.438 549 H HN -0.070 nan 8.280 nan 0.000 0.531 550 R N 0.141 120.602 120.500 -0.066 0.000 3.502 550 R HA -0.160 1.437 4.340 -4.572 0.000 0.266 550 R C -0.359 176.155 176.300 0.357 0.000 1.077 550 R CA 0.326 56.468 56.100 0.071 0.000 0.718 550 R CB -1.887 28.377 30.300 -0.061 0.000 1.120 550 R HN 0.622 nan 8.270 nan 0.000 0.457 551 A N 1.090 124.373 122.820 0.772 0.000 2.477 551 A HA 0.453 2.030 4.320 -4.572 0.000 0.246 551 A C 0.819 178.659 177.584 0.426 0.000 1.078 551 A CA 0.561 52.944 52.037 0.576 0.000 0.770 551 A CB 0.579 19.986 19.000 0.678 0.000 1.011 551 A HN 0.522 nan 8.150 nan 0.000 0.494 552 S N 1.173 117.092 115.700 0.366 0.000 2.840 552 S HA 0.459 2.186 4.470 -4.572 0.000 0.307 552 S C 0.813 175.632 174.600 0.365 0.000 1.180 552 S CA -0.278 58.098 58.200 0.293 0.000 0.846 552 S CB 1.024 64.348 63.200 0.206 0.000 1.233 552 S HN 0.633 nan 8.310 nan 0.000 0.548 553 K N 0.192 120.733 120.400 0.234 0.000 2.211 553 K HA -0.076 1.502 4.320 -4.572 0.000 0.203 553 K C 1.846 178.637 176.600 0.318 0.000 1.050 553 K CA 1.960 58.370 56.287 0.205 0.000 0.945 553 K CB -0.690 31.866 32.500 0.093 0.000 0.732 553 K HN 0.833 nan 8.250 nan 0.000 0.451 554 T N -3.185 111.524 114.554 0.259 0.000 3.031 554 T HA 0.223 1.830 4.350 -4.572 0.000 0.254 554 T C 0.920 175.661 174.700 0.069 0.000 1.060 554 T CA 0.353 62.575 62.100 0.204 0.000 1.135 554 T CB 0.667 69.610 68.868 0.125 0.000 0.896 554 T HN 0.220 nan 8.240 nan 0.000 0.472 555 G N 0.127 108.844 108.800 -0.139 0.000 2.490 555 G HA2 0.616 1.833 3.960 -4.572 0.000 0.308 555 G HA3 0.616 1.833 3.960 -4.572 0.000 0.308 555 G C -2.230 172.149 174.900 -0.869 0.000 1.286 555 G CA -0.636 43.963 45.100 -0.835 0.000 0.825 555 G HN 0.471 nan 8.290 nan 0.000 0.479 556 I N -1.077 118.795 120.570 -1.162 0.000 3.004 556 I HA 0.690 2.117 4.170 -4.572 0.000 0.305 556 I C -0.040 175.766 176.117 -0.518 0.000 1.312 556 I CA 0.630 61.538 61.300 -0.653 0.000 0.992 556 I CB 2.205 39.711 38.000 -0.824 0.000 1.282 556 I HN 2.136 nan 8.210 nan 0.000 0.449 557 G N 3.562 112.321 108.800 -0.068 0.000 2.440 557 G HA2 0.056 1.273 3.960 -4.572 0.000 0.684 557 G HA3 0.056 1.273 3.960 -4.572 0.000 0.684 557 G C -2.022 173.009 174.900 0.218 0.000 1.309 557 G CA -0.641 44.473 45.100 0.023 0.000 0.931 557 G HN 0.683 nan 8.290 nan 0.000 0.612 558 F N 1.395 121.335 119.950 -0.017 0.000 2.449 558 F HA 0.650 2.437 4.527 -4.568 0.000 0.342 558 F C 0.092 175.863 175.800 -0.049 0.000 1.127 558 F CA -1.434 56.536 58.000 -0.050 0.000 0.975 558 F CB 1.830 40.776 39.000 -0.091 0.000 1.146 558 F HN 0.507 nan 8.300 nan 0.000 0.444 559 N N 5.180 123.889 118.700 0.015 0.000 2.402 559 N HA 0.191 2.188 4.740 -4.572 0.000 0.252 559 N C 0.091 175.673 175.510 0.120 0.000 1.118 559 N CA 0.232 53.295 53.050 0.023 0.000 0.945 559 N CB 0.333 38.774 38.487 -0.077 0.000 1.147 559 N HN 0.720 nan 8.380 nan 0.000 0.495 560 R N 1.046 121.620 120.500 0.123 0.000 2.543 560 R HA 0.089 1.686 4.340 -4.572 0.000 0.323 560 R C 0.450 176.756 176.300 0.011 0.000 1.002 560 R CA -0.170 55.995 56.100 0.108 0.000 1.106 560 R CB 0.286 30.645 30.300 0.098 0.000 1.280 560 R HN 0.614 nan 8.270 nan 0.000 0.549 561 T N -1.941 112.588 114.554 -0.041 0.000 2.771 561 T HA 0.159 1.766 4.350 -4.572 0.000 0.290 561 T C 1.229 175.920 174.700 -0.015 0.000 1.005 561 T CA -0.512 61.558 62.100 -0.051 0.000 0.944 561 T CB 1.135 69.972 68.868 -0.052 0.000 1.147 561 T HN -0.089 nan 8.240 nan 0.000 0.534 562 K N 0.147 120.542 120.400 -0.008 0.000 2.218 562 K HA -0.101 1.476 4.320 -4.572 0.000 0.205 562 K C 2.301 178.900 176.600 -0.002 0.000 1.046 562 K CA 1.807 58.094 56.287 -0.001 0.000 0.933 562 K CB -0.561 31.941 32.500 0.003 0.000 0.728 562 K HN 0.857 nan 8.250 nan 0.000 0.454 563 T N -2.945 111.607 114.554 -0.004 0.000 3.129 563 T HA 0.134 1.741 4.350 -4.572 0.000 0.251 563 T C 1.060 175.743 174.700 -0.028 0.000 1.117 563 T CA 0.250 62.343 62.100 -0.011 0.000 1.034 563 T CB 0.505 69.370 68.868 -0.004 0.000 0.968 563 T HN 0.204 nan 8.240 nan 0.000 0.526 564 G N 1.481 110.266 108.800 -0.025 0.000 3.387 564 G HA2 0.371 1.588 3.960 -4.572 0.000 0.194 564 G HA3 0.371 1.588 3.960 -4.572 0.000 0.194 564 G C 1.163 176.059 174.900 -0.006 0.000 1.417 564 G CA 0.206 45.280 45.100 -0.042 0.000 0.777 564 G HN 0.337 nan 8.290 nan 0.000 0.721 565 S N -0.332 115.395 115.700 0.046 0.000 2.527 565 S HA -0.008 1.719 4.470 -4.572 0.000 0.222 565 S C 1.242 175.883 174.600 0.068 0.000 0.985 565 S CA 1.142 59.396 58.200 0.091 0.000 0.921 565 S CB -0.208 63.121 63.200 0.215 0.000 0.772 565 S HN 0.782 nan 8.310 nan 0.000 0.529 566 N N 0.717 119.442 118.700 0.043 0.000 2.735 566 N HA -0.208 1.789 4.740 -4.572 0.000 0.248 566 N C 0.662 176.185 175.510 0.022 0.000 1.083 566 N CA 0.782 53.846 53.050 0.023 0.000 0.703 566 N CB -1.613 36.884 38.487 0.017 0.000 1.005 566 N HN 0.627 nan 8.380 nan 0.000 0.550 567 A N -0.305 122.535 122.820 0.034 0.000 2.015 567 A HA -0.003 1.574 4.320 -4.572 0.000 0.219 567 A C 2.244 179.851 177.584 0.039 0.000 1.163 567 A CA 1.218 53.283 52.037 0.047 0.000 0.646 567 A CB -0.292 18.739 19.000 0.051 0.000 0.806 567 A HN 0.441 nan 8.150 nan 0.000 0.448 568 L N -0.813 120.430 121.223 0.033 0.000 2.127 568 L HA -0.240 1.357 4.340 -4.572 0.000 0.211 568 L C 2.878 179.772 176.870 0.039 0.000 1.089 568 L CA 0.992 55.868 54.840 0.060 0.000 0.757 568 L CB -0.487 41.525 42.059 -0.078 0.000 0.899 568 L HN 0.461 nan 8.230 nan 0.000 0.434 569 A N -0.769 122.040 122.820 -0.018 0.000 2.172 569 A HA -0.163 1.414 4.320 -4.572 0.000 0.216 569 A C 2.054 179.573 177.584 -0.107 0.000 1.154 569 A CA 0.902 52.919 52.037 -0.034 0.000 0.701 569 A CB -0.282 18.711 19.000 -0.012 0.000 0.789 569 A HN 0.520 nan 8.150 nan 0.000 0.465 570 Q N -1.637 117.993 119.800 -0.284 0.000 2.451 570 Q HA 0.055 1.652 4.340 -4.572 0.000 0.206 570 Q C -0.573 175.012 176.000 -0.691 0.000 0.947 570 Q CA 0.219 55.558 55.803 -0.773 0.000 0.937 570 Q CB 0.100 28.077 28.738 -1.268 0.000 1.025 570 Q HN 0.767 nan 8.270 nan 0.000 0.511 571 Y N 0.548 120.702 120.300 -0.244 0.000 2.403 571 Y HA 0.283 2.088 4.550 -4.575 0.000 0.323 571 Y C -1.929 173.935 175.900 -0.061 0.000 1.226 571 Y CA -2.967 55.041 58.100 -0.154 0.000 1.235 571 Y CB 0.200 38.495 38.460 -0.274 0.000 1.248 571 Y HN -0.084 nan 8.280 nan 0.000 0.489 572 P HA -0.046 nan 4.420 nan 0.000 0.269 572 P C 0.813 178.124 177.300 0.019 0.000 1.209 572 P CA 0.053 63.229 63.100 0.126 0.000 0.776 572 P CB 0.734 32.544 31.700 0.182 0.000 0.876 573 E N 4.068 124.266 120.200 -0.003 0.000 2.108 573 E HA -0.226 1.381 4.350 -4.572 0.000 0.203 573 E C -0.916 175.603 176.600 -0.136 0.000 1.022 573 E CA 2.455 58.822 56.400 -0.055 0.000 0.823 573 E CB -1.666 28.013 29.700 -0.035 0.000 0.744 573 E HN 0.367 nan 8.360 nan 0.000 0.456 574 P HA -0.106 nan 4.420 nan 0.000 0.218 574 P C 1.567 178.630 177.300 -0.396 0.000 1.149 574 P CA 0.945 63.823 63.100 -0.369 0.000 0.817 574 P CB -0.005 31.249 31.700 -0.743 0.000 0.785 575 I N -0.496 119.841 120.570 -0.388 0.000 2.233 575 I HA -0.120 1.307 4.170 -4.572 0.000 0.243 575 I C 2.235 177.940 176.117 -0.687 0.000 1.093 575 I CA 1.389 62.261 61.300 -0.714 0.000 1.380 575 I CB -1.752 35.773 38.000 -0.790 0.000 1.067 575 I HN -0.094 nan 8.210 nan 0.000 0.413 576 A N 0.989 123.587 122.820 -0.370 0.000 1.917 576 A HA -0.285 1.292 4.320 -4.572 0.000 0.219 576 A C 2.465 179.960 177.584 -0.148 0.000 1.182 576 A CA 2.208 54.117 52.037 -0.214 0.000 0.633 576 A CB -0.644 18.298 19.000 -0.097 0.000 0.819 576 A HN 0.399 nan 8.150 nan 0.000 0.448 577 K N -0.538 119.776 120.400 -0.143 0.000 2.001 577 K HA -0.069 1.508 4.320 -4.572 0.000 0.208 577 K C 2.231 178.806 176.600 -0.043 0.000 1.048 577 K CA 1.244 57.483 56.287 -0.080 0.000 0.932 577 K CB -0.367 32.080 32.500 -0.089 0.000 0.715 577 K HN 0.353 nan 8.250 nan 0.000 0.437 578 A N 0.514 123.279 122.820 -0.093 0.000 1.902 578 A HA -0.160 1.417 4.320 -4.572 0.000 0.217 578 A C 1.677 179.399 177.584 0.230 0.000 1.181 578 A CA 1.378 53.431 52.037 0.025 0.000 0.623 578 A CB -0.796 18.191 19.000 -0.022 0.000 0.818 578 A HN 0.545 nan 8.150 nan 0.000 0.443 579 W N -0.647 120.599 121.300 -0.090 0.000 2.658 579 W HA 0.220 2.134 4.660 -4.575 0.000 0.263 579 W C 2.277 178.815 176.519 0.031 0.000 1.274 579 W CA 0.129 57.413 57.345 -0.102 0.000 1.343 579 W CB -1.152 28.015 29.460 -0.489 0.000 1.106 579 W HN 0.383 nan 8.180 nan 0.000 0.615 580 G N -0.874 108.043 108.800 0.194 0.000 2.777 580 G HA2 -0.095 1.122 3.960 -4.572 0.000 0.211 580 G HA3 -0.095 1.122 3.960 -4.572 0.000 0.211 580 G C -0.034 175.023 174.900 0.262 0.000 1.149 580 G CA 0.150 45.367 45.100 0.195 0.000 0.785 580 G HN -0.053 nan 8.290 nan 0.000 0.536 581 D N 0.415 120.921 120.400 0.177 0.000 2.274 581 D HA 0.243 2.140 4.640 -4.572 0.000 0.239 581 D C 1.644 177.973 176.300 0.047 0.000 1.104 581 D CA -0.510 53.550 54.000 0.100 0.000 0.840 581 D CB 1.342 42.182 40.800 0.067 0.000 1.100 581 D HN -0.039 nan 8.370 nan 0.000 0.477 582 L N 3.566 124.758 121.223 -0.052 0.000 2.261 582 L HA -0.197 1.400 4.340 -4.572 0.000 0.216 582 L C 1.849 178.709 176.870 -0.017 0.000 1.114 582 L CA 0.688 55.443 54.840 -0.143 0.000 0.777 582 L CB -0.309 41.653 42.059 -0.162 0.000 0.910 582 L HN 0.414 nan 8.230 nan 0.000 0.440 583 N N -0.514 118.197 118.700 0.019 0.000 2.309 583 N HA -0.143 1.854 4.740 -4.572 0.000 0.182 583 N C 1.726 177.266 175.510 0.049 0.000 1.018 583 N CA 1.398 54.469 53.050 0.036 0.000 0.876 583 N CB 0.207 38.713 38.487 0.032 0.000 0.972 583 N HN 0.341 nan 8.380 nan 0.000 0.434 584 S N -2.001 113.739 115.700 0.067 0.000 2.589 584 S HA 0.193 1.920 4.470 -4.572 0.000 0.235 584 S C 0.403 175.092 174.600 0.149 0.000 1.051 584 S CA -0.509 57.749 58.200 0.097 0.000 0.978 584 S CB -0.150 63.105 63.200 0.093 0.000 0.929 584 S HN 0.005 nan 8.310 nan 0.000 0.523 585 V N 4.813 124.821 119.914 0.157 0.000 2.617 585 V HA 0.267 1.645 4.120 -4.572 0.000 0.304 585 V C -2.560 173.605 176.094 0.119 0.000 1.040 585 V CA -1.618 60.801 62.300 0.197 0.000 1.149 585 V CB 0.424 32.380 31.823 0.222 0.000 0.914 585 V HN 0.220 nan 8.190 nan 0.000 0.487 586 P HA 0.168 nan 4.420 nan 0.000 0.268 586 P C 0.510 177.829 177.300 0.032 0.000 1.204 586 P CA 0.034 63.169 63.100 0.060 0.000 0.768 586 P CB 0.510 32.238 31.700 0.047 0.000 0.842 587 E N 1.790 122.009 120.200 0.033 0.000 2.204 587 E HA -0.206 1.401 4.350 -4.572 0.000 0.195 587 E C 1.062 177.663 176.600 0.001 0.000 0.990 587 E CA 1.225 57.638 56.400 0.022 0.000 0.821 587 E CB -0.118 29.596 29.700 0.024 0.000 0.750 587 E HN 0.630 nan 8.360 nan 0.000 0.477 588 D N 0.155 120.555 120.400 0.001 0.000 2.378 588 D HA -0.134 1.763 4.640 -4.572 0.000 0.227 588 D C 1.349 177.654 176.300 0.009 0.000 1.012 588 D CA 0.659 54.656 54.000 -0.006 0.000 0.905 588 D CB -0.045 40.754 40.800 -0.001 0.000 0.895 588 D HN 0.245 nan 8.370 nan 0.000 0.532 589 L N -0.502 120.717 121.223 -0.006 0.000 3.086 589 L HA 0.329 1.926 4.340 -4.572 0.000 0.274 589 L C 1.994 178.848 176.870 -0.026 0.000 1.184 589 L CA -0.272 54.570 54.840 0.004 0.000 1.002 589 L CB 0.410 42.345 42.059 -0.208 0.000 1.383 589 L HN -0.071 nan 8.230 nan 0.000 0.582 590 I N 0.823 121.394 120.570 0.002 0.000 2.151 590 I HA -0.325 1.102 4.170 -4.572 0.000 0.243 590 I C 1.963 178.099 176.117 0.033 0.000 1.080 590 I CA 1.809 63.147 61.300 0.063 0.000 1.339 590 I CB 0.209 38.218 38.000 0.016 0.000 1.039 590 I HN 0.255 nan 8.210 nan 0.000 0.409 591 L N -1.046 120.116 121.223 -0.101 0.000 2.610 591 L HA -0.127 1.470 4.340 -4.572 0.000 0.232 591 L C 1.749 178.482 176.870 -0.228 0.000 1.149 591 L CA 0.376 55.124 54.840 -0.152 0.000 0.872 591 L CB -0.556 41.380 42.059 -0.205 0.000 0.992 591 L HN 0.417 nan 8.230 nan 0.000 0.447 592 W N -0.668 120.355 121.300 -0.461 0.000 2.467 592 W HA -0.083 1.834 4.660 -4.573 0.000 0.275 592 W C 1.658 177.730 176.519 -0.745 0.000 1.239 592 W CA 0.543 57.442 57.345 -0.744 0.000 1.266 592 W CB 0.122 28.767 29.460 -1.360 0.000 1.112 592 W HN 0.073 nan 8.180 nan 0.000 0.576 593 F N -3.590 116.403 119.950 0.070 0.000 2.752 593 F HA 0.225 2.008 4.527 -4.573 0.000 0.310 593 F C 0.380 175.942 175.800 -0.397 0.000 1.097 593 F CA -0.128 57.766 58.000 -0.177 0.000 1.238 593 F CB -0.421 38.423 39.000 -0.260 0.000 1.061 593 F HN -0.275 nan 8.300 nan 0.000 0.591 594 H N -1.032 118.121 119.070 0.139 0.000 2.667 594 H HA 0.246 2.059 4.556 -4.572 0.000 0.353 594 H C -1.175 174.148 175.328 -0.009 0.000 1.072 594 H CA -0.748 55.334 56.048 0.055 0.000 1.214 594 H CB 1.736 31.490 29.762 -0.014 0.000 1.600 594 H HN -0.042 nan 8.280 nan 0.000 0.527 595 H N 3.613 122.692 119.070 0.015 0.000 2.705 595 H HA 0.399 2.211 4.556 -4.572 0.000 0.291 595 H C -0.933 174.330 175.328 -0.109 0.000 1.085 595 H CA -0.230 55.769 56.048 -0.082 0.000 1.357 595 H CB 0.040 29.732 29.762 -0.116 0.000 1.419 595 H HN 0.370 nan 8.280 nan 0.000 0.462 596 L N 3.508 124.400 121.223 -0.551 0.000 2.342 596 L HA 0.355 1.952 4.340 -4.572 0.000 0.271 596 L C 0.248 176.801 176.870 -0.528 0.000 1.008 596 L CA -1.176 53.402 54.840 -0.436 0.000 0.818 596 L CB 1.966 43.780 42.059 -0.409 0.000 1.296 596 L HN 0.636 nan 8.230 nan 0.000 0.427 597 S N 0.308 115.840 115.700 -0.281 0.000 2.579 597 S HA 0.056 1.783 4.470 -4.572 0.000 0.275 597 S C 0.693 175.224 174.600 -0.115 0.000 1.345 597 S CA -0.161 57.922 58.200 -0.195 0.000 1.031 597 S CB 0.417 63.606 63.200 -0.019 0.000 0.892 597 S HN 0.593 nan 8.310 nan 0.000 0.529 598 W N 0.969 122.275 121.300 0.011 0.000 2.364 598 W HA -0.046 1.870 4.660 -4.572 0.000 0.281 598 W C 1.628 178.205 176.519 0.097 0.000 1.219 598 W CA 0.548 57.932 57.345 0.066 0.000 1.220 598 W CB -0.093 29.394 29.460 0.045 0.000 1.127 598 W HN 0.695 nan 8.180 nan 0.000 0.556 599 D N -1.665 118.901 120.400 0.277 0.000 2.355 599 D HA -0.097 1.800 4.640 -4.572 0.000 0.218 599 D C 0.672 177.060 176.300 0.146 0.000 1.004 599 D CA 0.581 54.691 54.000 0.184 0.000 0.880 599 D CB -0.606 40.272 40.800 0.129 0.000 0.911 599 D HN 0.243 nan 8.370 nan 0.000 0.528 600 H N 2.029 121.129 119.070 0.050 0.000 3.094 600 H HA -0.004 1.809 4.556 -4.572 0.000 0.320 600 H C 0.089 175.433 175.328 0.027 0.000 1.000 600 H CA 0.429 56.484 56.048 0.012 0.000 1.413 600 H CB 0.541 30.282 29.762 -0.036 0.000 1.405 600 H HN -0.118 nan 8.280 nan 0.000 0.586 601 R N 5.301 125.491 120.500 -0.516 0.000 2.254 601 R HA 0.182 1.779 4.340 -4.572 0.000 0.318 601 R C 0.246 176.236 176.300 -0.516 0.000 1.031 601 R CA -0.717 55.160 56.100 -0.372 0.000 0.905 601 R CB 1.064 31.242 30.300 -0.204 0.000 1.050 601 R HN 0.559 nan 8.270 nan 0.000 0.456 602 M N 1.875 121.327 119.600 -0.248 0.000 2.245 602 M HA 0.118 1.855 4.480 -4.572 0.000 0.292 602 M C 1.607 177.846 176.300 -0.101 0.000 1.176 602 M CA -0.066 55.148 55.300 -0.143 0.000 1.035 602 M CB 0.666 33.239 32.600 -0.045 0.000 1.440 602 M HN 0.521 nan 8.290 nan 0.000 0.494 603 Q N 0.429 120.197 119.800 -0.055 0.000 2.152 603 Q HA -0.163 1.434 4.340 -4.572 0.000 0.206 603 Q C 1.813 177.785 176.000 -0.046 0.000 0.985 603 Q CA 2.156 57.935 55.803 -0.039 0.000 0.863 603 Q CB -0.161 28.569 28.738 -0.015 0.000 0.904 603 Q HN 0.887 nan 8.270 nan 0.000 0.422 604 S N -1.492 114.175 115.700 -0.056 0.000 2.474 604 S HA 0.022 1.749 4.470 -4.572 0.000 0.235 604 S C 1.529 176.085 174.600 -0.073 0.000 0.997 604 S CA 0.810 58.967 58.200 -0.072 0.000 0.949 604 S CB 0.263 63.397 63.200 -0.110 0.000 0.766 604 S HN 0.575 nan 8.310 nan 0.000 0.517 605 G N 0.842 109.601 108.800 -0.069 0.000 2.232 605 G HA2 -0.221 0.996 3.960 -4.572 0.000 0.226 605 G HA3 -0.221 0.996 3.960 -4.572 0.000 0.226 605 G C 0.219 175.087 174.900 -0.053 0.000 0.996 605 G CA -0.159 44.905 45.100 -0.060 0.000 0.626 605 G HN 0.572 nan 8.290 nan 0.000 0.509 606 R N 1.197 121.662 120.500 -0.058 0.000 2.582 606 R HA 0.426 2.023 4.340 -4.572 0.000 0.271 606 R C 0.835 177.128 176.300 -0.012 0.000 1.078 606 R CA 0.084 56.166 56.100 -0.030 0.000 1.127 606 R CB 0.313 30.586 30.300 -0.044 0.000 1.038 606 R HN 0.599 nan 8.270 nan 0.000 0.500 607 N N 1.008 119.732 118.700 0.040 0.000 2.354 607 N HA -0.061 1.936 4.740 -4.572 0.000 0.246 607 N C 0.719 176.315 175.510 0.144 0.000 1.285 607 N CA -0.428 52.675 53.050 0.088 0.000 0.925 607 N CB 0.330 38.907 38.487 0.150 0.000 1.174 607 N HN 0.442 nan 8.380 nan 0.000 0.478 608 L N -0.383 120.974 121.223 0.223 0.000 2.083 608 L HA -0.007 1.590 4.340 -4.572 0.000 0.209 608 L C 1.855 178.976 176.870 0.418 0.000 1.083 608 L CA 1.385 56.385 54.840 0.267 0.000 0.752 608 L CB -0.829 41.371 42.059 0.236 0.000 0.899 608 L HN 0.790 nan 8.230 nan 0.000 0.433 609 W N 0.193 121.725 121.300 0.387 0.000 2.358 609 W HA -0.244 1.673 4.660 -4.571 0.000 0.303 609 W C 2.110 178.683 176.519 0.090 0.000 1.208 609 W CA 1.585 59.059 57.345 0.214 0.000 1.274 609 W CB -0.153 29.262 29.460 -0.075 0.000 1.138 609 W HN 0.313 nan 8.180 nan 0.000 0.515 610 Q N 0.286 120.046 119.800 -0.066 0.000 2.084 610 Q HA -0.283 1.314 4.340 -4.572 0.000 0.202 610 Q C 2.064 177.984 176.000 -0.132 0.000 0.978 610 Q CA 2.195 57.898 55.803 -0.167 0.000 0.844 610 Q CB -0.374 28.375 28.738 0.019 0.000 0.898 610 Q HN 0.186 nan 8.270 nan 0.000 0.426 611 E N 0.892 121.072 120.200 -0.034 0.000 2.106 611 E HA -0.156 1.451 4.350 -4.572 0.000 0.192 611 E C 1.757 178.351 176.600 -0.010 0.000 0.984 611 E CA 0.617 57.019 56.400 0.003 0.000 0.806 611 E CB -0.198 29.513 29.700 0.018 0.000 0.750 611 E HN 0.339 nan 8.360 nan 0.000 0.458 612 L N -0.414 120.783 121.223 -0.044 0.000 1.989 612 L HA -0.182 1.415 4.340 -4.572 0.000 0.211 612 L C 2.148 178.980 176.870 -0.064 0.000 1.071 612 L CA 1.382 56.200 54.840 -0.037 0.000 0.749 612 L CB -0.307 41.778 42.059 0.044 0.000 0.890 612 L HN 0.087 nan 8.230 nan 0.000 0.431 613 V N -0.312 119.384 119.914 -0.363 0.000 2.287 613 V HA -0.360 1.017 4.120 -4.572 0.000 0.248 613 V C 2.463 178.385 176.094 -0.287 0.000 1.053 613 V CA 2.257 64.309 62.300 -0.414 0.000 1.027 613 V CB -0.955 30.375 31.823 -0.822 0.000 0.646 613 V HN 0.669 nan 8.190 nan 0.000 0.447 614 H N 0.406 119.293 119.070 -0.306 0.000 2.352 614 H HA -0.135 1.678 4.556 -4.572 0.000 0.299 614 H C 2.289 177.625 175.328 0.014 0.000 1.097 614 H CA 1.780 57.772 56.048 -0.095 0.000 1.311 614 H CB 0.074 29.855 29.762 0.031 0.000 1.377 614 H HN 0.157 nan 8.280 nan 0.000 0.504 615 K N -0.122 120.282 120.400 0.006 0.000 2.025 615 K HA -0.151 1.426 4.320 -4.572 0.000 0.207 615 K C 2.220 178.751 176.600 -0.116 0.000 1.049 615 K CA 1.440 57.679 56.287 -0.081 0.000 0.933 615 K CB -0.780 31.638 32.500 -0.138 0.000 0.714 615 K HN 0.441 nan 8.250 nan 0.000 0.438 616 Y N -0.050 120.222 120.300 -0.047 0.000 2.128 616 Y HA -0.259 1.548 4.550 -4.571 0.000 0.284 616 Y C 2.360 178.212 175.900 -0.081 0.000 1.154 616 Y CA 1.583 59.657 58.100 -0.043 0.000 1.149 616 Y CB -0.447 37.988 38.460 -0.042 0.000 0.976 616 Y HN 0.087 nan 8.280 nan 0.000 0.505 617 Y N -0.404 119.884 120.300 -0.020 0.000 2.242 617 Y HA -0.313 1.494 4.550 -4.571 0.000 0.291 617 Y C 2.710 178.583 175.900 -0.046 0.000 1.137 617 Y CA 1.676 59.752 58.100 -0.042 0.000 1.181 617 Y CB -0.416 37.999 38.460 -0.074 0.000 0.989 617 Y HN 0.181 nan 8.280 nan 0.000 0.527 618 Q N 0.030 119.825 119.800 -0.007 0.000 2.096 618 Q HA -0.170 1.427 4.340 -4.572 0.000 0.204 618 Q C 2.510 178.515 176.000 0.008 0.000 0.982 618 Q CA 1.648 57.416 55.803 -0.058 0.000 0.850 618 Q CB -0.545 28.110 28.738 -0.139 0.000 0.901 618 Q HN 0.540 nan 8.270 nan 0.000 0.422 619 G N 0.044 108.865 108.800 0.034 0.000 2.476 619 G HA2 -0.259 0.958 3.960 -4.572 0.000 0.218 619 G HA3 -0.259 0.958 3.960 -4.572 0.000 0.218 619 G C 1.417 176.408 174.900 0.150 0.000 1.164 619 G CA 1.111 46.300 45.100 0.148 0.000 0.768 619 G HN 0.315 nan 8.290 nan 0.000 0.560 620 V N 0.633 120.566 119.914 0.031 0.000 2.358 620 V HA -0.118 1.259 4.120 -4.572 0.000 0.246 620 V C 2.838 178.909 176.094 -0.037 0.000 1.047 620 V CA 1.967 64.215 62.300 -0.086 0.000 1.035 620 V CB -0.297 31.447 31.823 -0.132 0.000 0.658 620 V HN 0.291 nan 8.190 nan 0.000 0.452 621 E N -0.012 120.193 120.200 0.008 0.000 2.110 621 E HA -0.252 1.355 4.350 -4.572 0.000 0.193 621 E C 2.262 178.871 176.600 0.016 0.000 0.988 621 E CA 1.316 57.728 56.400 0.021 0.000 0.804 621 E CB -0.306 29.418 29.700 0.040 0.000 0.745 621 E HN 0.689 nan 8.360 nan 0.000 0.458 622 Q N 0.163 119.977 119.800 0.024 0.000 2.084 622 Q HA -0.106 1.491 4.340 -4.572 0.000 0.202 622 Q C 2.352 178.362 176.000 0.017 0.000 0.978 622 Q CA 1.302 57.121 55.803 0.027 0.000 0.844 622 Q CB -0.035 28.727 28.738 0.039 0.000 0.898 622 Q HN 0.103 nan 8.270 nan 0.000 0.426 623 V N 0.813 120.730 119.914 0.005 0.000 2.343 623 V HA -0.266 1.111 4.120 -4.572 0.000 0.247 623 V C 2.112 178.184 176.094 -0.037 0.000 1.051 623 V CA 1.820 64.098 62.300 -0.037 0.000 1.036 623 V CB -0.462 31.286 31.823 -0.124 0.000 0.654 623 V HN 0.293 nan 8.190 nan 0.000 0.451 624 R N 0.190 120.674 120.500 -0.028 0.000 2.096 624 R HA -0.085 1.512 4.340 -4.572 0.000 0.235 624 R C 2.419 178.725 176.300 0.011 0.000 1.127 624 R CA 1.397 57.491 56.100 -0.010 0.000 0.968 624 R CB -0.561 29.737 30.300 -0.003 0.000 0.861 624 R HN 0.533 nan 8.270 nan 0.000 0.440 625 A N 1.001 123.829 122.820 0.014 0.000 1.930 625 A HA -0.138 1.440 4.320 -4.572 0.000 0.217 625 A C 2.147 179.749 177.584 0.029 0.000 1.175 625 A CA 1.202 53.253 52.037 0.024 0.000 0.627 625 A CB -0.363 18.650 19.000 0.022 0.000 0.815 625 A HN 0.174 nan 8.150 nan 0.000 0.443 626 M N -0.924 118.684 119.600 0.013 0.000 2.117 626 M HA -0.228 1.509 4.480 -4.572 0.000 0.262 626 M C 2.431 178.760 176.300 0.048 0.000 1.065 626 M CA 1.605 56.910 55.300 0.008 0.000 1.114 626 M CB -0.591 31.979 32.600 -0.049 0.000 1.361 626 M HN 0.514 nan 8.290 nan 0.000 0.408 627 Q N 0.030 119.850 119.800 0.034 0.000 2.030 627 Q HA -0.190 1.407 4.340 -4.572 0.000 0.204 627 Q C 2.172 178.246 176.000 0.124 0.000 0.986 627 Q CA 1.587 57.433 55.803 0.072 0.000 0.843 627 Q CB -0.231 28.529 28.738 0.035 0.000 0.904 627 Q HN 0.506 nan 8.270 nan 0.000 0.420 628 R N -0.255 120.297 120.500 0.088 0.000 2.081 628 R HA -0.098 1.499 4.340 -4.572 0.000 0.235 628 R C 2.440 178.806 176.300 0.109 0.000 1.131 628 R CA 1.659 57.812 56.100 0.089 0.000 0.960 628 R CB -0.422 29.915 30.300 0.061 0.000 0.856 628 R HN 0.253 nan 8.270 nan 0.000 0.436 629 T N 0.365 114.984 114.554 0.109 0.000 2.652 629 T HA -0.232 1.375 4.350 -4.572 0.000 0.267 629 T C 1.262 176.076 174.700 0.191 0.000 1.039 629 T CA 1.292 63.462 62.100 0.117 0.000 1.153 629 T CB -0.315 68.608 68.868 0.092 0.000 0.863 629 T HN 0.487 nan 8.240 nan 0.000 0.428 630 W N 1.955 123.277 121.300 0.038 0.000 2.358 630 W HA -0.163 1.757 4.660 -4.568 0.000 0.303 630 W C 1.598 178.269 176.519 0.253 0.000 1.208 630 W CA 1.196 58.595 57.345 0.090 0.000 1.274 630 W CB -0.203 29.239 29.460 -0.030 0.000 1.138 630 W HN 0.271 nan 8.180 nan 0.000 0.515 631 D N 0.096 120.643 120.400 0.245 0.000 2.149 631 D HA -0.211 1.686 4.640 -4.572 0.000 0.198 631 D C 1.969 178.356 176.300 0.146 0.000 0.990 631 D CA 1.513 55.672 54.000 0.265 0.000 0.839 631 D CB -0.562 40.354 40.800 0.194 0.000 0.948 631 D HN 0.390 nan 8.370 nan 0.000 0.460 632 Q N -0.258 119.597 119.800 0.093 0.000 2.515 632 Q HA -0.047 1.550 4.340 -4.572 0.000 0.212 632 Q C 0.930 176.953 176.000 0.039 0.000 0.970 632 Q CA 0.515 56.348 55.803 0.050 0.000 0.941 632 Q CB 0.240 29.020 28.738 0.069 0.000 0.998 632 Q HN 0.210 nan 8.270 nan 0.000 0.518 633 Q N -0.307 119.492 119.800 -0.002 0.000 2.247 633 Q HA 0.025 1.622 4.340 -4.572 0.000 0.204 633 Q C 0.846 176.685 176.000 -0.268 0.000 0.872 633 Q CA 0.166 55.999 55.803 0.050 0.000 0.951 633 Q CB 0.498 29.237 28.738 0.001 0.000 1.099 633 Q HN 0.450 nan 8.270 nan 0.000 0.501 634 E N 1.184 121.031 120.200 -0.587 0.000 2.160 634 E HA -0.168 1.439 4.350 -4.572 0.000 0.195 634 E C 1.466 177.646 176.600 -0.700 0.000 0.991 634 E CA 1.113 56.837 56.400 -1.127 0.000 0.810 634 E CB 0.216 29.238 29.700 -1.131 0.000 0.742 634 E HN 0.350 nan 8.360 nan 0.000 0.466 635 A N -0.403 122.048 122.820 -0.614 0.000 2.119 635 A HA -0.117 1.460 4.320 -4.572 0.000 0.217 635 A C 1.107 178.311 177.584 -0.632 0.000 1.153 635 A CA 0.851 52.503 52.037 -0.642 0.000 0.692 635 A CB -0.296 18.235 19.000 -0.783 0.000 0.799 635 A HN 0.363 nan 8.150 nan 0.000 0.458 636 Y N -1.573 118.564 120.300 -0.271 0.000 2.458 636 Y HA 0.334 2.141 4.550 -4.571 0.000 0.254 636 Y C 0.450 176.112 175.900 -0.397 0.000 1.120 636 Y CA -0.475 57.425 58.100 -0.333 0.000 1.282 636 Y CB 0.153 38.360 38.460 -0.421 0.000 1.109 636 Y HN -0.009 nan 8.280 nan 0.000 0.526 637 V N 1.788 121.583 119.914 -0.199 0.000 2.815 637 V HA 0.163 1.540 4.120 -4.572 0.000 0.314 637 V C -0.199 175.897 176.094 0.003 0.000 1.064 637 V CA -1.588 60.672 62.300 -0.067 0.000 0.952 637 V CB 1.694 33.506 31.823 -0.019 0.000 1.020 637 V HN 0.202 nan 8.190 nan 0.000 0.439 638 D N 2.673 123.137 120.400 0.107 0.000 2.423 638 D HA 0.081 1.978 4.640 -4.572 0.000 0.238 638 D C 1.113 177.504 176.300 0.151 0.000 1.142 638 D CA 0.323 54.380 54.000 0.094 0.000 0.884 638 D CB 1.798 42.662 40.800 0.106 0.000 1.199 638 D HN 0.560 nan 8.370 nan 0.000 0.438 639 A N 2.570 125.450 122.820 0.099 0.000 1.940 639 A HA -0.071 1.506 4.320 -4.572 0.000 0.219 639 A C 2.232 179.951 177.584 0.225 0.000 1.176 639 A CA 2.413 54.533 52.037 0.139 0.000 0.631 639 A CB -0.861 18.183 19.000 0.073 0.000 0.814 639 A HN 0.766 nan 8.150 nan 0.000 0.446 640 A N -0.308 122.622 122.820 0.183 0.000 1.841 640 A HA -0.112 1.465 4.320 -4.572 0.000 0.214 640 A C 2.238 179.963 177.584 0.234 0.000 1.195 640 A CA 1.410 53.553 52.037 0.177 0.000 0.611 640 A CB -0.514 18.563 19.000 0.128 0.000 0.835 640 A HN 0.509 nan 8.150 nan 0.000 0.443 641 R N -1.891 118.779 120.500 0.284 0.000 2.105 641 R HA -0.136 1.461 4.340 -4.572 0.000 0.239 641 R C 1.987 178.583 176.300 0.493 0.000 1.135 641 R CA 1.544 57.871 56.100 0.378 0.000 0.967 641 R CB -0.532 30.064 30.300 0.493 0.000 0.861 641 R HN 0.588 nan 8.270 nan 0.000 0.442 642 F N 1.420 121.606 119.950 0.394 0.000 2.095 642 F HA -0.230 1.554 4.527 -4.571 0.000 0.298 642 F C 2.295 178.358 175.800 0.437 0.000 1.104 642 F CA 1.625 59.895 58.000 0.451 0.000 1.232 642 F CB -0.408 38.678 39.000 0.143 0.000 0.987 642 F HN -0.016 nan 8.300 nan 0.000 0.475 643 A N -0.326 122.669 122.820 0.292 0.000 1.933 643 A HA -0.233 1.344 4.320 -4.572 0.000 0.218 643 A C 2.245 179.868 177.584 0.065 0.000 1.175 643 A CA 1.678 53.806 52.037 0.150 0.000 0.628 643 A CB -0.968 18.149 19.000 0.195 0.000 0.814 643 A HN 0.640 nan 8.150 nan 0.000 0.444 644 Q N -0.239 119.620 119.800 0.099 0.000 2.016 644 Q HA -0.109 1.488 4.340 -4.572 0.000 0.200 644 Q C 1.945 177.918 176.000 -0.045 0.000 0.978 644 Q CA 1.922 57.751 55.803 0.043 0.000 0.833 644 Q CB -0.182 28.600 28.738 0.073 0.000 0.895 644 Q HN 0.374 nan 8.270 nan 0.000 0.427 645 V N 1.635 121.517 119.914 -0.054 0.000 2.343 645 V HA -0.267 1.110 4.120 -4.572 0.000 0.247 645 V C 2.447 178.332 176.094 -0.348 0.000 1.051 645 V CA 2.151 64.266 62.300 -0.309 0.000 1.036 645 V CB -0.684 30.755 31.823 -0.641 0.000 0.654 645 V HN 0.408 nan 8.190 nan 0.000 0.451 646 K N 0.455 120.737 120.400 -0.198 0.000 2.032 646 K HA -0.226 1.351 4.320 -4.572 0.000 0.209 646 K C 2.189 178.744 176.600 -0.075 0.000 1.048 646 K CA 1.802 58.020 56.287 -0.114 0.000 0.927 646 K CB -0.368 32.017 32.500 -0.192 0.000 0.712 646 K HN 0.420 nan 8.250 nan 0.000 0.441 647 A N 1.291 124.079 122.820 -0.054 0.000 1.902 647 A HA -0.116 1.461 4.320 -4.572 0.000 0.217 647 A C 2.157 179.725 177.584 -0.027 0.000 1.181 647 A CA 1.376 53.402 52.037 -0.018 0.000 0.623 647 A CB -0.625 18.379 19.000 0.007 0.000 0.818 647 A HN 0.340 nan 8.150 nan 0.000 0.443 648 L N -0.709 120.480 121.223 -0.057 0.000 2.083 648 L HA -0.171 1.426 4.340 -4.572 0.000 0.209 648 L C 2.524 179.374 176.870 -0.033 0.000 1.083 648 L CA 0.967 55.789 54.840 -0.029 0.000 0.752 648 L CB -0.550 41.453 42.059 -0.092 0.000 0.899 648 L HN 0.363 nan 8.230 nan 0.000 0.433 649 L N -0.698 120.473 121.223 -0.087 0.000 2.131 649 L HA -0.243 1.354 4.340 -4.572 0.000 0.210 649 L C 2.700 179.520 176.870 -0.084 0.000 1.092 649 L CA 1.226 56.003 54.840 -0.105 0.000 0.759 649 L CB -0.406 41.572 42.059 -0.135 0.000 0.903 649 L HN 0.362 nan 8.230 nan 0.000 0.435 650 Q N -0.857 118.914 119.800 -0.050 0.000 2.079 650 Q HA -0.169 1.428 4.340 -4.572 0.000 0.200 650 Q C 2.338 178.317 176.000 -0.034 0.000 0.974 650 Q CA 1.441 57.227 55.803 -0.029 0.000 0.840 650 Q CB -0.169 28.568 28.738 -0.001 0.000 0.898 650 Q HN 0.353 nan 8.270 nan 0.000 0.430 651 V N 1.026 120.927 119.914 -0.023 0.000 2.343 651 V HA -0.302 1.075 4.120 -4.572 0.000 0.247 651 V C 2.314 178.350 176.094 -0.097 0.000 1.051 651 V CA 2.139 64.437 62.300 -0.003 0.000 1.036 651 V CB -0.643 31.218 31.823 0.062 0.000 0.654 651 V HN 0.416 nan 8.190 nan 0.000 0.451 652 Q N -0.146 119.524 119.800 -0.216 0.000 2.124 652 Q HA -0.249 1.348 4.340 -4.572 0.000 0.202 652 Q C 2.393 178.180 176.000 -0.356 0.000 0.977 652 Q CA 1.783 57.288 55.803 -0.497 0.000 0.850 652 Q CB -0.198 28.263 28.738 -0.462 0.000 0.901 652 Q HN 0.655 nan 8.270 nan 0.000 0.429 653 E N 0.835 120.904 120.200 -0.219 0.000 2.077 653 E HA -0.239 1.368 4.350 -4.572 0.000 0.193 653 E C 2.016 178.531 176.600 -0.142 0.000 0.989 653 E CA 1.120 57.410 56.400 -0.183 0.000 0.800 653 E CB -0.091 29.545 29.700 -0.106 0.000 0.746 653 E HN 0.322 nan 8.360 nan 0.000 0.452 654 R N 0.146 120.599 120.500 -0.079 0.000 2.081 654 R HA -0.114 1.483 4.340 -4.572 0.000 0.235 654 R C 2.208 178.510 176.300 0.003 0.000 1.131 654 R CA 1.381 57.473 56.100 -0.013 0.000 0.960 654 R CB 0.043 30.359 30.300 0.027 0.000 0.856 654 R HN 0.072 nan 8.270 nan 0.000 0.436 655 E N 0.100 120.294 120.200 -0.009 0.000 2.106 655 E HA -0.122 1.485 4.350 -4.572 0.000 0.192 655 E C 1.824 178.488 176.600 0.108 0.000 0.984 655 E CA 1.138 57.587 56.400 0.081 0.000 0.806 655 E CB -0.121 29.681 29.700 0.169 0.000 0.750 655 E HN 0.420 nan 8.360 nan 0.000 0.458 656 A N 0.977 123.684 122.820 -0.189 0.000 1.933 656 A HA -0.120 1.458 4.320 -4.572 0.000 0.218 656 A C 2.584 180.051 177.584 -0.195 0.000 1.175 656 A CA 1.201 52.915 52.037 -0.539 0.000 0.628 656 A CB -0.587 17.703 19.000 -1.182 0.000 0.814 656 A HN 0.124 nan 8.150 nan 0.000 0.444 657 V N -0.046 119.783 119.914 -0.142 0.000 2.343 657 V HA -0.257 1.120 4.120 -4.572 0.000 0.247 657 V C 2.647 178.708 176.094 -0.055 0.000 1.051 657 V CA 2.329 64.573 62.300 -0.094 0.000 1.036 657 V CB -0.766 31.032 31.823 -0.042 0.000 0.654 657 V HN 0.679 nan 8.190 nan 0.000 0.451 658 R N -1.531 118.981 120.500 0.021 0.000 2.075 658 R HA -0.198 1.399 4.340 -4.572 0.000 0.232 658 R C 2.150 178.400 176.300 -0.084 0.000 1.126 658 R CA 1.962 58.076 56.100 0.024 0.000 0.963 658 R CB -0.308 30.041 30.300 0.081 0.000 0.858 658 R HN 0.555 nan 8.270 nan 0.000 0.435 659 W N 0.838 122.074 121.300 -0.106 0.000 2.354 659 W HA -0.107 1.812 4.660 -4.568 0.000 0.315 659 W C 2.659 179.086 176.519 -0.153 0.000 1.206 659 W CA 1.655 58.951 57.345 -0.082 0.000 1.290 659 W CB -0.214 29.297 29.460 0.086 0.000 1.152 659 W HN 0.096 nan 8.180 nan 0.000 0.489 660 R N 0.448 121.008 120.500 0.100 0.000 2.080 660 R HA -0.216 1.381 4.340 -4.572 0.000 0.236 660 R C 1.798 177.895 176.300 -0.339 0.000 1.137 660 R CA 2.121 58.144 56.100 -0.128 0.000 0.943 660 R CB -0.751 29.412 30.300 -0.229 0.000 0.846 660 R HN 0.138 nan 8.270 nan 0.000 0.431 661 N N 0.235 118.707 118.700 -0.380 0.000 2.120 661 N HA -0.101 1.896 4.740 -4.572 0.000 0.188 661 N C 1.828 177.007 175.510 -0.551 0.000 1.024 661 N CA 1.763 54.505 53.050 -0.514 0.000 0.852 661 N CB -0.384 37.638 38.487 -0.776 0.000 1.003 661 N HN 0.163 nan 8.380 nan 0.000 0.424 662 S N -0.057 115.325 115.700 -0.529 0.000 2.368 662 S HA -0.077 1.650 4.470 -4.572 0.000 0.224 662 S C 2.276 176.817 174.600 -0.099 0.000 1.029 662 S CA 0.820 58.898 58.200 -0.203 0.000 0.988 662 S CB -0.337 62.800 63.200 -0.105 0.000 0.838 662 S HN 0.443 nan 8.310 nan 0.000 0.462 663 C N 0.816 119.954 119.300 -0.270 0.000 2.500 663 C HA 0.085 1.802 4.460 -4.572 0.000 0.279 663 C C 2.691 177.531 174.990 -0.250 0.000 1.288 663 C CA 0.106 58.912 59.018 -0.353 0.000 1.710 663 C CB -1.217 26.202 27.740 -0.535 0.000 2.052 663 C HN 0.390 nan 8.230 nan 0.000 0.488 664 V N 1.275 120.996 119.914 -0.322 0.000 2.332 664 V HA -0.232 1.145 4.120 -4.572 0.000 0.248 664 V C 2.311 178.474 176.094 0.116 0.000 1.055 664 V CA 1.925 64.183 62.300 -0.070 0.000 1.038 664 V CB -0.629 31.144 31.823 -0.084 0.000 0.651 664 V HN 0.552 nan 8.190 nan 0.000 0.450 665 L N -1.497 119.751 121.223 0.042 0.000 2.141 665 L HA -0.166 1.431 4.340 -4.572 0.000 0.209 665 L C 2.440 179.370 176.870 0.101 0.000 1.094 665 L CA 1.656 56.554 54.840 0.096 0.000 0.763 665 L CB -0.624 41.492 42.059 0.096 0.000 0.908 665 L HN 0.455 nan 8.230 nan 0.000 0.437 666 Y N 0.313 120.604 120.300 -0.014 0.000 2.133 666 Y HA -0.245 1.563 4.550 -4.571 0.000 0.287 666 Y C 2.243 178.108 175.900 -0.058 0.000 1.134 666 Y CA 1.372 59.443 58.100 -0.048 0.000 1.133 666 Y CB -0.459 37.934 38.460 -0.111 0.000 0.987 666 Y HN -0.034 nan 8.280 nan 0.000 0.502 667 F N 1.098 121.006 119.950 -0.071 0.000 2.216 667 F HA -0.184 1.599 4.527 -4.573 0.000 0.300 667 F C 2.744 178.433 175.800 -0.185 0.000 1.085 667 F CA 1.700 59.644 58.000 -0.094 0.000 1.326 667 F CB -1.172 37.996 39.000 0.281 0.000 1.027 667 F HN 0.220 nan 8.300 nan 0.000 0.497 668 Q N 0.578 120.447 119.800 0.114 0.000 2.096 668 Q HA -0.225 1.372 4.340 -4.572 0.000 0.204 668 Q C 2.367 178.206 176.000 -0.268 0.000 0.982 668 Q CA 2.395 58.078 55.803 -0.200 0.000 0.850 668 Q CB -0.217 28.557 28.738 0.059 0.000 0.901 668 Q HN 0.441 nan 8.270 nan 0.000 0.422 669 S N -1.070 114.524 115.700 -0.178 0.000 2.419 669 S HA -0.087 1.640 4.470 -4.572 0.000 0.233 669 S C 1.815 176.306 174.600 -0.183 0.000 1.016 669 S CA 1.205 59.311 58.200 -0.156 0.000 0.974 669 S CB -0.226 62.919 63.200 -0.091 0.000 0.786 669 S HN 0.266 nan 8.310 nan 0.000 0.492 670 V N 1.767 121.535 119.914 -0.244 0.000 2.426 670 V HA 0.179 1.556 4.120 -4.572 0.000 0.242 670 V C 3.084 179.099 176.094 -0.131 0.000 1.036 670 V CA 1.302 63.523 62.300 -0.132 0.000 1.044 670 V CB -1.216 30.558 31.823 -0.081 0.000 0.688 670 V HN 0.624 nan 8.190 nan 0.000 0.462 671 A N -0.163 122.453 122.820 -0.341 0.000 1.970 671 A HA 0.271 1.848 4.320 -4.572 0.000 0.216 671 A C 1.988 179.219 177.584 -0.589 0.000 1.170 671 A CA 1.226 52.877 52.037 -0.644 0.000 0.645 671 A CB -0.798 17.238 19.000 -1.605 0.000 0.816 671 A HN 1.343 nan 8.150 nan 0.000 0.447 672 G N -0.626 107.860 108.800 -0.523 0.000 2.272 672 G HA2 -0.249 0.968 3.960 -4.572 0.000 0.280 672 G HA3 -0.249 0.968 3.960 -4.572 0.000 0.280 672 G C 0.053 174.673 174.900 -0.467 0.000 1.067 672 G CA 0.509 45.378 45.100 -0.385 0.000 0.902 672 G HN 0.687 nan 8.290 nan 0.000 0.500 673 R N 0.034 120.084 120.500 -0.751 0.000 2.740 673 R HA 0.599 2.196 4.340 -4.572 0.000 0.282 673 R C -2.489 173.555 176.300 -0.427 0.000 0.969 673 R CA -1.961 53.697 56.100 -0.735 0.000 0.918 673 R CB 2.421 31.907 30.300 -1.357 0.000 1.175 673 R HN 0.147 nan 8.270 nan 0.000 0.464 674 P HA 0.222 nan 4.420 nan 0.000 0.279 674 P C -0.427 177.085 177.300 0.352 0.000 1.252 674 P CA -0.365 62.792 63.100 0.095 0.000 0.811 674 P CB 0.756 32.492 31.700 0.060 0.000 1.035 675 I N 2.979 123.718 120.570 0.283 0.000 2.471 675 I HA 0.145 1.572 4.170 -4.572 0.000 0.286 675 I C -1.818 174.402 176.117 0.173 0.000 1.079 675 I CA -1.984 59.448 61.300 0.221 0.000 1.398 675 I CB -0.002 38.080 38.000 0.137 0.000 1.403 675 I HN 0.170 nan 8.210 nan 0.000 0.530 676 P HA -0.042 nan 4.420 nan 0.000 0.264 676 P C 0.426 177.792 177.300 0.111 0.000 1.183 676 P CA 0.013 63.215 63.100 0.171 0.000 0.763 676 P CB 0.785 32.617 31.700 0.220 0.000 0.807 677 A N 3.946 126.787 122.820 0.035 0.000 2.076 677 A HA -0.218 1.359 4.320 -4.572 0.000 0.220 677 A C 1.654 179.195 177.584 -0.071 0.000 1.160 677 A CA 1.669 53.704 52.037 -0.004 0.000 0.653 677 A CB -1.084 17.911 19.000 -0.007 0.000 0.801 677 A HN 0.708 nan 8.150 nan 0.000 0.455 678 N N -1.186 117.408 118.700 -0.175 0.000 2.571 678 N HA -0.062 1.935 4.740 -4.572 0.000 0.189 678 N C -0.535 174.694 175.510 -0.468 0.000 1.154 678 N CA 0.392 53.254 53.050 -0.314 0.000 0.907 678 N CB -0.466 37.794 38.487 -0.379 0.000 0.977 678 N HN 0.487 nan 8.380 nan 0.000 0.449 679 Y N 1.700 121.888 120.300 -0.186 0.000 2.360 679 Y HA 0.186 1.993 4.550 -4.571 0.000 0.337 679 Y C 0.456 176.278 175.900 -0.130 0.000 1.039 679 Y CA -1.675 56.224 58.100 -0.335 0.000 1.109 679 Y CB 0.942 38.860 38.460 -0.903 0.000 1.201 679 Y HN 0.062 nan 8.280 nan 0.000 0.458 680 E N 2.557 122.881 120.200 0.207 0.000 2.415 680 E HA -0.013 1.594 4.350 -4.572 0.000 0.260 680 E C -0.825 175.937 176.600 0.270 0.000 1.016 680 E CA -0.427 56.102 56.400 0.216 0.000 0.924 680 E CB 0.627 30.454 29.700 0.211 0.000 0.961 680 E HN 0.544 nan 8.360 nan 0.000 0.459 681 Q N 4.312 124.207 119.800 0.160 0.000 2.337 681 Q HA 0.155 1.752 4.340 -4.572 0.000 0.270 681 Q C -2.218 173.862 176.000 0.132 0.000 1.002 681 Q CA -1.511 54.382 55.803 0.149 0.000 0.888 681 Q CB 0.747 29.538 28.738 0.087 0.000 1.222 681 Q HN 0.458 nan 8.270 nan 0.000 0.400 682 P HA -0.136 nan 4.420 nan 0.000 0.264 682 P C -0.061 177.281 177.300 0.071 0.000 1.179 682 P CA 0.380 63.548 63.100 0.114 0.000 0.763 682 P CB 0.602 32.376 31.700 0.124 0.000 0.806 683 E N 0.742 120.966 120.200 0.040 0.000 2.147 683 E HA -0.223 1.384 4.350 -4.572 0.000 0.199 683 E C 0.079 176.341 176.600 -0.564 0.000 1.005 683 E CA 1.575 57.842 56.400 -0.222 0.000 0.810 683 E CB -0.037 29.544 29.700 -0.198 0.000 0.736 683 E HN 0.641 nan 8.360 nan 0.000 0.460 684 H N -1.370 117.679 119.070 -0.035 0.000 2.949 684 H HA 0.143 1.955 4.556 -4.572 0.000 0.310 684 H C -0.554 174.817 175.328 0.072 0.000 1.405 684 H CA -0.851 55.071 56.048 -0.211 0.000 1.253 684 H CB 0.884 30.074 29.762 -0.953 0.000 1.932 684 H HN -0.031 nan 8.280 nan 0.000 0.602 685 D N -0.134 120.366 120.400 0.166 0.000 2.432 685 D HA 0.014 1.911 4.640 -4.572 0.000 0.258 685 D C 1.123 177.589 176.300 0.276 0.000 1.146 685 D CA -0.705 53.407 54.000 0.187 0.000 1.015 685 D CB 0.785 41.641 40.800 0.092 0.000 1.107 685 D HN 0.377 nan 8.370 nan 0.000 0.529 686 L N -0.104 121.237 121.223 0.196 0.000 2.079 686 L HA -0.122 1.475 4.340 -4.572 0.000 0.210 686 L C 2.004 178.892 176.870 0.029 0.000 1.081 686 L CA 2.046 56.982 54.840 0.160 0.000 0.752 686 L CB -1.109 40.996 42.059 0.078 0.000 0.896 686 L HN 0.640 nan 8.230 nan 0.000 0.433 687 E N -1.203 118.992 120.200 -0.008 0.000 2.110 687 E HA -0.322 1.285 4.350 -4.572 0.000 0.193 687 E C 2.168 178.721 176.600 -0.078 0.000 0.988 687 E CA 1.718 58.068 56.400 -0.083 0.000 0.804 687 E CB -0.697 28.970 29.700 -0.056 0.000 0.745 687 E HN 0.651 nan 8.360 nan 0.000 0.458 688 Y N -0.487 119.705 120.300 -0.181 0.000 2.181 688 Y HA -0.249 1.558 4.550 -4.572 0.000 0.288 688 Y C 1.664 177.325 175.900 -0.397 0.000 1.146 688 Y CA 2.008 59.912 58.100 -0.327 0.000 1.164 688 Y CB -0.389 37.806 38.460 -0.443 0.000 0.982 688 Y HN 0.121 nan 8.280 nan 0.000 0.515 689 Y N 0.251 120.578 120.300 0.046 0.000 2.314 689 Y HA -0.147 1.660 4.550 -4.572 0.000 0.293 689 Y C 2.362 178.184 175.900 -0.130 0.000 1.129 689 Y CA 1.418 59.507 58.100 -0.018 0.000 1.201 689 Y CB -0.215 38.313 38.460 0.113 0.000 0.999 689 Y HN 0.007 nan 8.280 nan 0.000 0.541 690 K N -0.285 119.968 120.400 -0.246 0.000 2.063 690 K HA -0.230 1.347 4.320 -4.572 0.000 0.208 690 K C 2.206 178.686 176.600 -0.199 0.000 1.048 690 K CA 1.571 57.602 56.287 -0.428 0.000 0.928 690 K CB -0.246 31.863 32.500 -0.651 0.000 0.713 690 K HN 0.261 nan 8.250 nan 0.000 0.442 691 M N 1.281 120.740 119.600 -0.235 0.000 2.117 691 M HA -0.153 1.584 4.480 -4.572 0.000 0.262 691 M C 1.852 178.008 176.300 -0.240 0.000 1.065 691 M CA 1.627 56.789 55.300 -0.231 0.000 1.114 691 M CB -0.425 32.000 32.600 -0.290 0.000 1.361 691 M HN 0.176 nan 8.290 nan 0.000 0.408 692 L N 0.283 121.302 121.223 -0.340 0.000 2.079 692 L HA -0.189 1.408 4.340 -4.572 0.000 0.210 692 L C 2.671 179.500 176.870 -0.068 0.000 1.081 692 L CA 1.327 56.017 54.840 -0.250 0.000 0.752 692 L CB -1.067 40.827 42.059 -0.275 0.000 0.896 692 L HN 0.384 nan 8.230 nan 0.000 0.433 693 A N -0.011 122.817 122.820 0.012 0.000 1.969 693 A HA -0.178 1.399 4.320 -4.572 0.000 0.218 693 A C 2.330 179.948 177.584 0.057 0.000 1.169 693 A CA 1.199 53.283 52.037 0.078 0.000 0.635 693 A CB -0.386 18.774 19.000 0.268 0.000 0.810 693 A HN 0.341 nan 8.150 nan 0.000 0.445 694 R N -0.801 119.715 120.500 0.027 0.000 2.189 694 R HA -0.051 1.546 4.340 -4.572 0.000 0.218 694 R C 1.733 178.041 176.300 0.014 0.000 1.074 694 R CA 1.628 57.741 56.100 0.022 0.000 0.991 694 R CB -0.180 30.117 30.300 -0.005 0.000 0.883 694 R HN 0.728 nan 8.270 nan 0.000 0.457 695 T N -4.265 110.284 114.554 -0.008 0.000 2.975 695 T HA 0.106 1.713 4.350 -4.572 0.000 0.257 695 T C 0.710 175.434 174.700 0.041 0.000 1.003 695 T CA -0.268 61.834 62.100 0.003 0.000 0.932 695 T CB 0.509 69.351 68.868 -0.044 0.000 1.087 695 T HN -0.185 nan 8.240 nan 0.000 0.512 696 T N 3.456 118.039 114.554 0.048 0.000 2.779 696 T HA 0.261 1.868 4.350 -4.572 0.000 0.296 696 T C -0.593 174.204 174.700 0.160 0.000 0.938 696 T CA -0.358 61.804 62.100 0.104 0.000 1.119 696 T CB -0.106 68.821 68.868 0.098 0.000 0.891 696 T HN 0.352 nan 8.240 nan 0.000 0.526 697 Y N 4.575 124.910 120.300 0.058 0.000 2.810 697 Y HA 0.111 1.918 4.550 -4.570 0.000 0.332 697 Y C -0.097 175.806 175.900 0.006 0.000 1.243 697 Y CA -0.125 57.998 58.100 0.039 0.000 1.537 697 Y CB 0.204 38.683 38.460 0.031 0.000 1.265 697 Y HN 0.353 nan 8.280 nan 0.000 0.572 698 V N 10.141 129.673 119.914 -0.638 0.000 2.368 698 V HA 0.216 1.593 4.120 -4.572 0.000 0.266 698 V C -1.976 173.553 176.094 -0.941 0.000 1.045 698 V CA -1.595 60.350 62.300 -0.592 0.000 0.899 698 V CB 0.927 32.642 31.823 -0.179 0.000 1.006 698 V HN 0.707 nan 8.190 nan 0.000 0.470 699 P HA 0.309 nan 4.420 nan 0.000 0.225 699 P C -0.384 176.984 177.300 0.113 0.000 1.830 699 P CA 0.104 63.030 63.100 -0.290 0.000 1.051 699 P CB 0.270 31.925 31.700 -0.075 0.000 1.929 700 E N 2.401 122.642 120.200 0.067 0.000 2.307 700 E HA 0.254 1.861 4.350 -4.572 0.000 0.280 700 E C -2.281 174.386 176.600 0.112 0.000 0.900 700 E CA -2.166 54.313 56.400 0.132 0.000 0.790 700 E CB 2.212 31.971 29.700 0.098 0.000 1.261 700 E HN -0.093 nan 8.360 nan 0.000 0.405 701 P HA -0.111 nan 4.420 nan 0.000 0.215 701 P C 0.867 178.239 177.300 0.120 0.000 1.153 701 P CA 0.796 63.966 63.100 0.116 0.000 0.853 701 P CB 0.019 31.785 31.700 0.110 0.000 0.788 702 W N 0.007 121.292 121.300 -0.024 0.000 2.378 702 W HA -0.100 1.824 4.660 -4.559 0.000 0.313 702 W C 1.247 177.759 176.519 -0.013 0.000 1.197 702 W CA 1.359 58.688 57.345 -0.027 0.000 1.304 702 W CB -0.886 28.540 29.460 -0.055 0.000 1.148 702 W HN -0.084 nan 8.180 nan 0.000 0.494 703 H N 1.683 120.662 119.070 -0.152 0.000 2.886 703 H HA 0.023 1.835 4.556 -4.572 0.000 0.329 703 H C -1.566 173.542 175.328 -0.366 0.000 1.044 703 H CA -0.596 55.141 56.048 -0.519 0.000 1.456 703 H CB 1.286 30.964 29.762 -0.140 0.000 1.464 703 H HN -0.075 nan 8.280 nan 0.000 0.573 704 P HA -0.160 nan 4.420 nan 0.000 0.218 704 P C 1.131 178.367 177.300 -0.105 0.000 1.146 704 P CA 1.658 64.522 63.100 -0.393 0.000 0.813 704 P CB 0.038 31.463 31.700 -0.458 0.000 0.778 705 A N 0.254 123.144 122.820 0.116 0.000 2.024 705 A HA -0.219 1.358 4.320 -4.572 0.000 0.220 705 A C 2.299 179.917 177.584 0.056 0.000 1.164 705 A CA 2.192 54.315 52.037 0.143 0.000 0.643 705 A CB -1.569 17.556 19.000 0.208 0.000 0.806 705 A HN 0.382 nan 8.150 nan 0.000 0.451 706 S N -1.003 114.712 115.700 0.026 0.000 2.474 706 S HA -0.034 1.693 4.470 -4.572 0.000 0.235 706 S C 1.518 176.180 174.600 0.103 0.000 0.997 706 S CA 1.334 59.530 58.200 -0.008 0.000 0.949 706 S CB -0.307 62.880 63.200 -0.022 0.000 0.766 706 S HN 0.379 nan 8.310 nan 0.000 0.517 707 S N 1.101 116.833 115.700 0.052 0.000 2.556 707 S HA 0.298 2.025 4.470 -4.572 0.000 0.216 707 S C 0.587 175.215 174.600 0.047 0.000 0.970 707 S CA -0.228 58.002 58.200 0.050 0.000 0.912 707 S CB 0.128 63.330 63.200 0.003 0.000 0.790 707 S HN 0.567 nan 8.310 nan 0.000 0.504 708 S N 1.787 117.520 115.700 0.054 0.000 2.498 708 S HA 0.161 1.888 4.470 -4.572 0.000 0.281 708 S C 0.865 175.497 174.600 0.054 0.000 1.265 708 S CA -0.341 57.887 58.200 0.047 0.000 1.071 708 S CB 0.264 63.495 63.200 0.052 0.000 0.894 708 S HN 0.368 nan 8.310 nan 0.000 0.491 709 R N 3.204 123.726 120.500 0.037 0.000 2.356 709 R HA 0.166 1.763 4.340 -4.572 0.000 0.234 709 R C -0.145 176.169 176.300 0.023 0.000 0.929 709 R CA -0.202 55.917 56.100 0.031 0.000 1.084 709 R CB 0.130 30.442 30.300 0.021 0.000 1.105 709 R HN 0.443 nan 8.270 nan 0.000 0.515 710 V N 1.906 121.835 119.914 0.025 0.000 2.557 710 V HA -0.073 1.304 4.120 -4.572 0.000 0.301 710 V C 1.138 177.238 176.094 0.009 0.000 1.026 710 V CA 0.934 63.243 62.300 0.016 0.000 1.137 710 V CB 0.809 32.644 31.823 0.019 0.000 0.917 710 V HN 0.391 nan 8.190 nan 0.000 0.484 711 L N 4.612 125.833 121.223 -0.003 0.000 2.966 711 L HA 0.364 1.961 4.340 -4.572 0.000 0.262 711 L C 0.768 177.620 176.870 -0.030 0.000 1.165 711 L CA 0.272 55.104 54.840 -0.013 0.000 0.978 711 L CB 0.157 42.211 42.059 -0.008 0.000 1.337 711 L HN 0.576 nan 8.230 nan 0.000 0.563 712 K N 0.000 120.380 120.400 -0.033 0.000 2.780 712 K HA 0.000 1.577 4.320 -4.572 0.000 0.191 712 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 712 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543