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 1gql_1_B DATA FIRST_RESID 5 DATA SEQUENCE EDGYDMWLRY QPIADQTLLK TYQKQIRHLH VAGDSPTINA AAAELQRGLS DATA SEQUENCE GLLNKPIVAR DEKLKDYSLV IGTPDNSPLI ASLNLGERLQ ALGAEGYLLE DATA SEQUENCE QTRINKRHVV IVAANSDVGV LYGSFHLLRL IQTQHALEKL SLSSAPRLQH DATA SEQUENCE RVVNHWDNLN RVVERGYAGL SLWDWGSLPN YLAPRYTDYA RINASLGING DATA SEQUENCE TVINNVNADP RVLSDQFLQK IAALADAFRP YGIKMYLSIN FNSPRAFGDV DATA SEQUENCE DTADPLDPRV QQWWKTRAQK IYSYIPDFGG FLVKADSEGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAFVYHPDIE DRFRGAYDEF MPLDGKFADN DATA SEQUENCE VILQIKNGPI DFQPREPFSA LFAGMSRTNM MMEFQITQEY FGFATHLAYQ DATA SEQUENCE GPLFEESLKT ETHARGEGST IGNILEGKVF KTRHTGMAGV INPGTDRNWT DATA SEQUENCE GHPFVQSSWY AFGRMAWDHQ ISAATAADEW LRMTFSNQPA FIEPVKQMML DATA SEQUENCE VSREAGVNYR SPLGLTHLYS QGDHYGPAPW TDDLPRADWT AVYYHRASKT DATA SEQUENCE GIGFNRTKTG SNALAQYPEP IAKAWGDLNS VPEDLILWFH HLSWDHRMQS DATA SEQUENCE GRNLWQELVH KYYQGVEQVR AMQRTWDQQE AYVDAARFAQ VKALLQVQER DATA SEQUENCE EAVRWRNSCV LYFQSVAGRP IPANYEQPEH DLEYYKMLAR TTYVPEPWHP 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 0.000 176.634 176.600 0.057 0.000 1.382 5 E CA 0.000 56.419 56.400 0.032 0.000 0.976 5 E CB 0.000 29.716 29.700 0.026 0.000 0.812 6 D N 0.840 121.273 120.400 0.056 0.000 2.431 6 D HA 0.187 4.827 4.640 -0.000 0.000 0.213 6 D C 1.224 177.583 176.300 0.098 0.000 1.130 6 D CA 0.303 54.349 54.000 0.076 0.000 0.834 6 D CB 0.574 41.411 40.800 0.063 0.000 0.985 6 D HN 0.702 nan 8.370 nan 0.000 0.504 7 G N 0.408 109.247 108.800 0.066 0.000 2.184 7 G HA2 -0.471 3.488 3.960 -0.000 0.000 0.264 7 G HA3 -0.471 3.488 3.960 -0.000 0.000 0.264 7 G C 0.738 175.714 174.900 0.127 0.000 0.975 7 G CA 0.498 45.630 45.100 0.054 0.000 0.642 7 G HN 0.400 nan 8.290 nan 0.000 0.536 8 Y N 1.606 121.947 120.300 0.069 0.000 2.274 8 Y HA -0.019 4.531 4.550 0.001 0.000 0.290 8 Y C 2.201 178.208 175.900 0.179 0.000 1.145 8 Y CA 2.224 60.434 58.100 0.184 0.000 1.203 8 Y CB 0.125 38.626 38.460 0.068 0.000 0.984 8 Y HN 0.318 nan 8.280 nan 0.000 0.533 9 D N -0.049 120.329 120.400 -0.037 0.000 2.347 9 D HA -0.110 4.530 4.640 -0.000 0.000 0.215 9 D C 1.469 177.456 176.300 -0.522 0.000 0.976 9 D CA 0.992 54.831 54.000 -0.267 0.000 0.884 9 D CB 0.024 40.699 40.800 -0.209 0.000 0.915 9 D HN 0.393 nan 8.370 nan 0.000 0.526 10 M N -0.853 118.463 119.600 -0.473 0.000 7.319 10 M HA -0.300 4.180 4.480 -0.000 0.000 0.312 10 M C 1.014 176.985 176.300 -0.549 0.000 0.480 10 M CA 1.983 56.908 55.300 -0.626 0.000 1.311 10 M CB -1.872 29.999 32.600 -1.216 0.000 0.421 10 M HN 0.370 nan 8.290 nan 0.000 0.740 11 W N 1.373 122.432 121.300 -0.402 0.000 3.278 11 W HA 0.604 5.264 4.660 0.001 0.000 0.308 11 W C 0.572 176.860 176.519 -0.385 0.000 1.253 11 W CA -0.246 56.841 57.345 -0.431 0.000 1.759 11 W CB -0.504 28.737 29.460 -0.365 0.000 1.093 11 W HN 0.278 nan 8.180 nan 0.000 0.648 12 L N 2.819 123.724 121.223 -0.530 0.000 2.783 12 L HA 0.407 4.747 4.340 -0.000 0.000 0.235 12 L C 0.179 176.527 176.870 -0.870 0.000 1.260 12 L CA -0.253 54.194 54.840 -0.654 0.000 1.184 12 L CB -0.299 41.412 42.059 -0.581 0.000 1.472 12 L HN -0.107 nan 8.230 nan 0.000 0.426 13 R N 0.749 120.899 120.500 -0.583 0.000 2.230 13 R HA 0.252 4.592 4.340 -0.000 0.000 0.337 13 R C -1.059 175.092 176.300 -0.249 0.000 1.063 13 R CA -0.521 55.347 56.100 -0.386 0.000 0.935 13 R CB 0.620 30.765 30.300 -0.258 0.000 1.121 13 R HN 0.164 nan 8.270 nan 0.000 0.486 14 Y N 2.191 122.471 120.300 -0.033 0.000 2.812 14 Y HA 0.192 4.742 4.550 -0.000 0.000 0.354 14 Y C 0.355 176.242 175.900 -0.021 0.000 1.276 14 Y CA -0.598 57.488 58.100 -0.023 0.000 1.639 14 Y CB 0.110 38.561 38.460 -0.016 0.000 1.741 14 Y HN 0.335 nan 8.280 nan 0.000 0.479 15 Q N 2.111 121.971 119.800 0.100 0.000 2.235 15 Q HA 0.399 4.739 4.340 -0.000 0.000 0.256 15 Q C -2.429 173.602 176.000 0.052 0.000 0.951 15 Q CA -2.323 53.512 55.803 0.052 0.000 0.890 15 Q CB 1.286 30.031 28.738 0.011 0.000 1.279 15 Q HN 0.194 nan 8.270 nan 0.000 0.444 16 P HA -0.070 nan 4.420 nan 0.000 0.262 16 P C -0.598 176.729 177.300 0.046 0.000 1.182 16 P CA 0.145 63.268 63.100 0.039 0.000 0.761 16 P CB 0.318 32.034 31.700 0.026 0.000 0.795 17 I N 2.700 123.312 120.570 0.070 0.000 2.741 17 I HA -0.108 4.062 4.170 -0.000 0.000 0.288 17 I C 1.636 177.788 176.117 0.057 0.000 1.192 17 I CA 0.600 61.955 61.300 0.092 0.000 1.426 17 I CB -0.259 37.849 38.000 0.181 0.000 1.367 17 I HN 0.476 nan 8.210 nan 0.000 0.563 18 A N 5.764 128.609 122.820 0.042 0.000 1.970 18 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 18 A C 1.062 178.655 177.584 0.014 0.000 1.170 18 A CA 0.465 52.515 52.037 0.021 0.000 0.645 18 A CB -0.189 18.820 19.000 0.015 0.000 0.816 18 A HN 0.742 nan 8.150 nan 0.000 0.447 19 D N 0.390 120.800 120.400 0.016 0.000 2.342 19 D HA 0.082 4.721 4.640 -0.000 0.000 0.260 19 D C 0.728 177.018 176.300 -0.017 0.000 1.278 19 D CA -0.066 53.930 54.000 -0.006 0.000 0.910 19 D CB 0.639 41.429 40.800 -0.017 0.000 1.079 19 D HN 0.190 nan 8.370 nan 0.000 0.496 20 Q N 2.246 122.034 119.800 -0.020 0.000 2.170 20 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 20 Q C 1.716 177.689 176.000 -0.046 0.000 0.976 20 Q CA 1.191 56.979 55.803 -0.025 0.000 0.858 20 Q CB -0.324 28.402 28.738 -0.021 0.000 0.907 20 Q HN 0.514 nan 8.270 nan 0.000 0.433 21 T N 1.633 116.152 114.554 -0.059 0.000 2.812 21 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 21 T C 1.867 176.491 174.700 -0.127 0.000 1.042 21 T CA 0.807 62.859 62.100 -0.080 0.000 1.140 21 T CB -0.242 68.583 68.868 -0.071 0.000 0.870 21 T HN 0.117 nan 8.240 nan 0.000 0.445 22 L N 1.342 122.472 121.223 -0.155 0.000 2.046 22 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 22 L C 2.144 178.800 176.870 -0.357 0.000 1.077 22 L CA 1.367 56.027 54.840 -0.300 0.000 0.747 22 L CB -0.835 41.065 42.059 -0.266 0.000 0.896 22 L HN 0.167 nan 8.230 nan 0.000 0.432 23 L N -0.296 120.851 121.223 -0.127 0.000 2.013 23 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 23 L C 2.392 179.249 176.870 -0.023 0.000 1.073 23 L CA 1.861 56.707 54.840 0.010 0.000 0.753 23 L CB -0.914 41.168 42.059 0.037 0.000 0.890 23 L HN 0.191 nan 8.230 nan 0.000 0.432 24 K N -0.728 119.630 120.400 -0.070 0.000 2.097 24 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 24 K C 2.028 178.570 176.600 -0.096 0.000 1.049 24 K CA 1.809 58.054 56.287 -0.071 0.000 0.933 24 K CB -1.118 31.337 32.500 -0.075 0.000 0.717 24 K HN 0.441 nan 8.250 nan 0.000 0.442 25 T N 0.988 115.449 114.554 -0.155 0.000 2.708 25 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 25 T C 1.774 176.423 174.700 -0.084 0.000 1.037 25 T CA 1.289 63.288 62.100 -0.168 0.000 1.146 25 T CB -0.339 68.379 68.868 -0.251 0.000 0.865 25 T HN 0.096 nan 8.240 nan 0.000 0.435 26 Y N 1.904 122.180 120.300 -0.039 0.000 2.181 26 Y HA -0.068 4.482 4.550 -0.000 0.000 0.288 26 Y C 2.698 178.565 175.900 -0.055 0.000 1.146 26 Y CA 0.334 58.414 58.100 -0.033 0.000 1.164 26 Y CB -0.904 37.544 38.460 -0.020 0.000 0.982 26 Y HN 0.323 nan 8.280 nan 0.000 0.515 27 Q N 0.063 119.919 119.800 0.093 0.000 2.124 27 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 27 Q C 2.090 178.044 176.000 -0.077 0.000 0.977 27 Q CA 1.443 57.245 55.803 -0.002 0.000 0.850 27 Q CB -0.149 28.577 28.738 -0.020 0.000 0.901 27 Q HN 0.477 nan 8.270 nan 0.000 0.429 28 K N 0.450 120.778 120.400 -0.120 0.000 2.057 28 K HA -0.150 4.169 4.320 -0.000 0.000 0.206 28 K C 2.093 178.497 176.600 -0.328 0.000 1.050 28 K CA 1.164 57.289 56.287 -0.271 0.000 0.935 28 K CB 0.017 32.346 32.500 -0.285 0.000 0.715 28 K HN 0.243 nan 8.250 nan 0.000 0.439 29 Q N 0.041 119.785 119.800 -0.093 0.000 2.123 29 Q HA -0.004 4.335 4.340 -0.000 0.000 0.199 29 Q C 0.257 176.353 176.000 0.160 0.000 0.966 29 Q CA 0.669 56.528 55.803 0.094 0.000 0.845 29 Q CB 0.370 29.193 28.738 0.142 0.000 0.907 29 Q HN 0.165 nan 8.270 nan 0.000 0.439 30 I N 0.860 121.474 120.570 0.073 0.000 2.502 30 I HA 0.228 4.398 4.170 -0.000 0.000 0.276 30 I C 0.353 176.451 176.117 -0.030 0.000 1.057 30 I CA 0.124 61.454 61.300 0.050 0.000 1.163 30 I CB 0.994 39.004 38.000 0.017 0.000 1.288 30 I HN 0.149 nan 8.210 nan 0.000 0.479 31 R N 2.721 123.184 120.500 -0.063 0.000 2.254 31 R HA 0.230 4.570 4.340 -0.000 0.000 0.193 31 R C -0.018 175.888 176.300 -0.657 0.000 0.929 31 R CA 0.341 56.241 56.100 -0.333 0.000 1.038 31 R CB 0.559 30.648 30.300 -0.352 0.000 1.009 31 R HN 0.545 nan 8.270 nan 0.000 0.512 32 H N -0.623 118.486 119.070 0.066 0.000 2.980 32 H HA 0.290 4.846 4.556 -0.000 0.000 0.367 32 H C -1.569 173.789 175.328 0.049 0.000 1.206 32 H CA -1.033 55.047 56.048 0.054 0.000 1.126 32 H CB 2.148 31.954 29.762 0.073 0.000 1.838 32 H HN -0.159 nan 8.280 nan 0.000 0.552 33 L N 2.320 123.640 121.223 0.161 0.000 2.372 33 L HA 0.246 4.586 4.340 -0.000 0.000 0.273 33 L C -0.925 175.999 176.870 0.090 0.000 0.989 33 L CA -0.299 54.594 54.840 0.089 0.000 0.841 33 L CB 0.756 42.825 42.059 0.016 0.000 1.225 33 L HN 0.612 nan 8.230 nan 0.000 0.414 34 H N 5.338 124.425 119.070 0.028 0.000 2.541 34 H HA 0.635 5.191 4.556 -0.000 0.000 0.316 34 H C -1.687 173.639 175.328 -0.004 0.000 1.043 34 H CA -0.367 55.688 56.048 0.011 0.000 1.232 34 H CB 1.484 31.252 29.762 0.010 0.000 1.406 34 H HN 0.439 nan 8.280 nan 0.000 0.469 35 V N 5.561 125.301 119.914 -0.291 0.000 2.462 35 V HA 0.257 4.377 4.120 -0.000 0.000 0.288 35 V C 0.847 176.827 176.094 -0.192 0.000 1.020 35 V CA -0.122 62.102 62.300 -0.125 0.000 0.857 35 V CB 0.924 32.693 31.823 -0.090 0.000 1.013 35 V HN 0.907 nan 8.190 nan 0.000 0.431 36 A N 3.564 126.349 122.820 -0.059 0.000 1.935 36 A HA 0.412 4.732 4.320 -0.000 0.000 0.214 36 A C 1.477 179.047 177.584 -0.023 0.000 1.178 36 A CA 0.957 52.978 52.037 -0.028 0.000 0.640 36 A CB -0.312 18.739 19.000 0.086 0.000 0.825 36 A HN 0.987 nan 8.150 nan 0.000 0.447 37 G N 0.090 108.883 108.800 -0.012 0.000 2.636 37 G HA2 0.360 4.319 3.960 -0.000 0.000 0.246 37 G HA3 0.360 4.319 3.960 -0.000 0.000 0.246 37 G C -0.082 174.801 174.900 -0.028 0.000 1.216 37 G CA 0.490 45.581 45.100 -0.015 0.000 0.854 37 G HN 0.423 nan 8.290 nan 0.000 0.572 38 D N -1.857 118.530 120.400 -0.023 0.000 2.672 38 D HA 0.052 4.692 4.640 -0.000 0.000 0.287 38 D C 0.884 177.171 176.300 -0.021 0.000 1.559 38 D CA -0.013 53.972 54.000 -0.025 0.000 0.796 38 D CB -0.536 40.252 40.800 -0.021 0.000 1.181 38 D HN 0.442 nan 8.370 nan 0.000 0.458 39 S N -0.092 115.596 115.700 -0.021 0.000 2.584 39 S HA 0.285 4.755 4.470 -0.000 0.000 0.270 39 S C -1.441 173.139 174.600 -0.033 0.000 1.346 39 S CA -0.626 57.562 58.200 -0.020 0.000 1.018 39 S CB 1.451 64.640 63.200 -0.018 0.000 0.899 39 S HN -0.211 nan 8.310 nan 0.000 0.542 40 P HA -0.092 nan 4.420 nan 0.000 0.216 40 P C 1.445 178.685 177.300 -0.099 0.000 1.153 40 P CA 1.551 64.623 63.100 -0.047 0.000 0.858 40 P CB -0.303 31.383 31.700 -0.024 0.000 0.789 41 T N -0.606 113.891 114.554 -0.094 0.000 2.777 41 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 41 T C 1.715 176.335 174.700 -0.133 0.000 1.040 41 T CA 0.883 62.900 62.100 -0.137 0.000 1.141 41 T CB -0.628 68.182 68.868 -0.097 0.000 0.868 41 T HN -0.031 nan 8.240 nan 0.000 0.444 42 I N 2.224 122.741 120.570 -0.088 0.000 2.286 42 I HA -0.112 4.057 4.170 -0.000 0.000 0.248 42 I C 2.136 178.201 176.117 -0.088 0.000 1.115 42 I CA 1.157 62.409 61.300 -0.079 0.000 1.392 42 I CB -1.195 36.775 38.000 -0.051 0.000 1.065 42 I HN 0.219 nan 8.210 nan 0.000 0.418 43 N N 1.469 120.121 118.700 -0.080 0.000 2.149 43 N HA -0.131 4.608 4.740 -0.000 0.000 0.188 43 N C 1.930 177.388 175.510 -0.087 0.000 1.019 43 N CA 1.646 54.654 53.050 -0.070 0.000 0.857 43 N CB -0.283 38.174 38.487 -0.050 0.000 0.997 43 N HN 0.367 nan 8.380 nan 0.000 0.426 44 A N 0.695 123.425 122.820 -0.150 0.000 1.930 44 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 44 A C 2.338 179.842 177.584 -0.134 0.000 1.175 44 A CA 1.818 53.736 52.037 -0.199 0.000 0.627 44 A CB -0.737 17.899 19.000 -0.608 0.000 0.815 44 A HN 0.316 nan 8.150 nan 0.000 0.443 45 A N -0.120 122.605 122.820 -0.158 0.000 1.873 45 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 45 A C 2.511 179.998 177.584 -0.162 0.000 1.186 45 A CA 1.940 53.868 52.037 -0.182 0.000 0.616 45 A CB -1.025 17.882 19.000 -0.156 0.000 0.823 45 A HN 1.013 nan 8.150 nan 0.000 0.442 46 A N -0.033 122.719 122.820 -0.115 0.000 1.902 46 A HA 0.138 4.457 4.320 -0.000 0.000 0.217 46 A C 2.506 180.038 177.584 -0.087 0.000 1.181 46 A CA 2.169 54.149 52.037 -0.095 0.000 0.623 46 A CB -1.043 17.913 19.000 -0.073 0.000 0.818 46 A HN 1.067 nan 8.150 nan 0.000 0.443 47 A N -0.529 122.254 122.820 -0.062 0.000 1.933 47 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 47 A C 1.974 179.531 177.584 -0.045 0.000 1.175 47 A CA 2.148 54.169 52.037 -0.027 0.000 0.628 47 A CB -0.457 18.557 19.000 0.024 0.000 0.814 47 A HN 0.533 nan 8.150 nan 0.000 0.444 48 E N 0.049 120.199 120.200 -0.083 0.000 2.047 48 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 48 E C 1.850 178.292 176.600 -0.262 0.000 0.987 48 E CA 1.150 57.461 56.400 -0.149 0.000 0.799 48 E CB -0.344 29.163 29.700 -0.322 0.000 0.752 48 E HN 0.589 nan 8.360 nan 0.000 0.449 49 L N 0.268 121.341 121.223 -0.250 0.000 2.093 49 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 49 L C 2.739 179.484 176.870 -0.208 0.000 1.085 49 L CA 1.457 56.150 54.840 -0.245 0.000 0.755 49 L CB -0.377 41.572 42.059 -0.184 0.000 0.904 49 L HN 0.277 nan 8.230 nan 0.000 0.435 50 Q N 0.754 120.465 119.800 -0.148 0.000 2.046 50 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 50 Q C 2.383 178.308 176.000 -0.124 0.000 0.975 50 Q CA 1.878 57.616 55.803 -0.107 0.000 0.836 50 Q CB -0.017 28.682 28.738 -0.065 0.000 0.896 50 Q HN 0.494 nan 8.270 nan 0.000 0.428 51 R N -0.784 119.640 120.500 -0.127 0.000 2.092 51 R HA -0.013 4.327 4.340 -0.000 0.000 0.231 51 R C 2.181 178.316 176.300 -0.274 0.000 1.119 51 R CA 1.395 57.433 56.100 -0.103 0.000 0.970 51 R CB -0.889 29.418 30.300 0.011 0.000 0.864 51 R HN 0.275 nan 8.270 nan 0.000 0.440 52 G N 2.150 110.581 108.800 -0.614 0.000 2.434 52 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 52 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 52 G C 1.610 176.191 174.900 -0.531 0.000 1.202 52 G CA 0.760 45.162 45.100 -1.163 0.000 0.788 52 G HN 0.178 nan 8.290 nan 0.000 0.539 53 L N 0.821 121.838 121.223 -0.344 0.000 2.083 53 L HA -0.067 4.272 4.340 -0.000 0.000 0.209 53 L C 3.185 179.972 176.870 -0.137 0.000 1.083 53 L CA 1.114 55.830 54.840 -0.207 0.000 0.752 53 L CB -0.375 41.587 42.059 -0.162 0.000 0.899 53 L HN 0.165 nan 8.230 nan 0.000 0.433 54 S N 0.109 115.735 115.700 -0.124 0.000 2.368 54 S HA -0.114 4.355 4.470 -0.000 0.000 0.225 54 S C 2.031 176.607 174.600 -0.040 0.000 1.030 54 S CA 1.275 59.434 58.200 -0.067 0.000 0.999 54 S CB -0.545 62.626 63.200 -0.049 0.000 0.844 54 S HN 0.607 nan 8.310 nan 0.000 0.459 55 G N 1.485 110.264 108.800 -0.036 0.000 2.394 55 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 55 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 55 G C 1.342 176.261 174.900 0.032 0.000 1.176 55 G CA 0.433 45.551 45.100 0.030 0.000 0.786 55 G HN 0.419 nan 8.290 nan 0.000 0.533 56 L N -0.487 120.740 121.223 0.007 0.000 2.093 56 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 56 L C 2.351 179.227 176.870 0.011 0.000 1.085 56 L CA 0.379 55.227 54.840 0.013 0.000 0.755 56 L CB -0.180 41.859 42.059 -0.033 0.000 0.904 56 L HN 0.119 nan 8.230 nan 0.000 0.435 57 L N -0.792 120.421 121.223 -0.015 0.000 2.567 57 L HA 0.091 4.431 4.340 -0.000 0.000 0.225 57 L C 0.720 177.592 176.870 0.004 0.000 1.119 57 L CA 0.271 55.114 54.840 0.006 0.000 0.871 57 L CB -0.773 41.276 42.059 -0.017 0.000 1.036 57 L HN 0.279 nan 8.230 nan 0.000 0.459 58 N N 1.201 119.901 118.700 0.001 0.000 2.738 58 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 58 N C -0.517 174.989 175.510 -0.008 0.000 1.047 58 N CA 1.037 54.088 53.050 0.001 0.000 0.707 58 N CB -0.611 37.881 38.487 0.008 0.000 0.937 58 N HN 0.613 nan 8.380 nan 0.000 0.545 59 K N -2.223 118.167 120.400 -0.017 0.000 2.587 59 K HA 0.490 4.810 4.320 -0.000 0.000 0.276 59 K C -3.407 173.177 176.600 -0.027 0.000 0.956 59 K CA -1.638 54.635 56.287 -0.022 0.000 0.857 59 K CB 1.710 34.192 32.500 -0.029 0.000 1.431 59 K HN -0.126 nan 8.250 nan 0.000 0.420 60 P HA 0.206 nan 4.420 nan 0.000 0.276 60 P C -0.505 176.778 177.300 -0.028 0.000 1.264 60 P CA -0.186 62.901 63.100 -0.021 0.000 0.769 60 P CB 0.236 31.930 31.700 -0.009 0.000 0.840 61 I N 4.951 125.499 120.570 -0.036 0.000 2.382 61 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 61 I C 0.038 176.139 176.117 -0.027 0.000 1.002 61 I CA -0.895 60.382 61.300 -0.039 0.000 1.135 61 I CB 1.942 39.906 38.000 -0.060 0.000 1.288 61 I HN 0.043 nan 8.210 nan 0.000 0.448 62 V N 5.291 125.202 119.914 -0.005 0.000 2.495 62 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 62 V C 0.632 176.722 176.094 -0.006 0.000 1.031 62 V CA -0.892 61.404 62.300 -0.007 0.000 0.871 62 V CB 1.875 33.700 31.823 0.003 0.000 0.988 62 V HN 0.843 nan 8.190 nan 0.000 0.432 63 A N 6.408 129.212 122.820 -0.026 0.000 2.492 63 A HA 0.588 4.907 4.320 -0.000 0.000 0.254 63 A C 0.309 177.860 177.584 -0.054 0.000 1.091 63 A CA 0.178 52.190 52.037 -0.042 0.000 0.768 63 A CB 0.013 18.980 19.000 -0.055 0.000 1.028 63 A HN 0.850 nan 8.150 nan 0.000 0.498 64 R N 1.144 121.593 120.500 -0.084 0.000 2.740 64 R HA 0.396 4.736 4.340 -0.000 0.000 0.273 64 R C -1.764 174.379 176.300 -0.262 0.000 0.998 64 R CA -0.854 55.177 56.100 -0.114 0.000 0.900 64 R CB 1.972 32.237 30.300 -0.057 0.000 1.223 64 R HN 0.721 nan 8.270 nan 0.000 0.466 65 D N 2.487 122.748 120.400 -0.232 0.000 2.462 65 D HA 0.151 4.791 4.640 -0.000 0.000 0.249 65 D C -0.838 175.376 176.300 -0.143 0.000 1.117 65 D CA -0.243 53.568 54.000 -0.314 0.000 0.900 65 D CB 0.524 41.214 40.800 -0.183 0.000 1.039 65 D HN 0.543 nan 8.370 nan 0.000 0.516 66 E N 1.032 121.179 120.200 -0.088 0.000 2.459 66 E HA 0.344 4.694 4.350 -0.000 0.000 0.275 66 E C -0.701 175.979 176.600 0.132 0.000 0.987 66 E CA -1.261 55.154 56.400 0.025 0.000 0.828 66 E CB 1.126 30.824 29.700 -0.003 0.000 1.428 66 E HN 0.021 nan 8.360 nan 0.000 0.457 67 K N 1.079 121.517 120.400 0.064 0.000 2.489 67 K HA 0.040 4.359 4.320 -0.000 0.000 0.278 67 K C -0.230 176.387 176.600 0.028 0.000 1.000 67 K CA -0.468 55.845 56.287 0.043 0.000 1.012 67 K CB 0.347 32.849 32.500 0.004 0.000 0.903 67 K HN 0.487 nan 8.250 nan 0.000 0.485 68 L N 4.695 125.901 121.223 -0.029 0.000 2.559 68 L HA 0.004 4.344 4.340 -0.000 0.000 0.274 68 L C -0.472 176.352 176.870 -0.077 0.000 1.205 68 L CA 1.169 55.954 54.840 -0.092 0.000 0.907 68 L CB 0.123 42.070 42.059 -0.186 0.000 1.153 68 L HN 0.577 nan 8.230 nan 0.000 0.490 69 K N 3.331 123.676 120.400 -0.091 0.000 2.118 69 K HA 0.255 4.575 4.320 -0.000 0.000 0.254 69 K C -0.719 175.878 176.600 -0.005 0.000 0.961 69 K CA -1.030 55.184 56.287 -0.122 0.000 0.876 69 K CB 1.008 33.243 32.500 -0.442 0.000 1.077 69 K HN 0.564 nan 8.250 nan 0.000 0.440 70 D N 0.844 121.271 120.400 0.044 0.000 2.455 70 D HA -0.057 4.583 4.640 -0.000 0.000 0.241 70 D C -0.773 175.661 176.300 0.222 0.000 1.138 70 D CA 0.911 54.944 54.000 0.055 0.000 0.877 70 D CB 0.108 40.971 40.800 0.106 0.000 1.187 70 D HN 0.423 nan 8.370 nan 0.000 0.451 71 Y N 0.311 120.722 120.300 0.184 0.000 3.128 71 Y HA -0.236 4.314 4.550 -0.000 0.000 0.187 71 Y C -0.004 175.993 175.900 0.163 0.000 1.597 71 Y CA 0.346 58.531 58.100 0.142 0.000 1.183 71 Y CB -1.847 36.654 38.460 0.067 0.000 1.454 71 Y HN 0.114 nan 8.280 nan 0.000 0.460 72 S N 0.383 116.211 115.700 0.213 0.000 2.578 72 S HA 0.754 5.224 4.470 -0.000 0.000 0.301 72 S C -0.485 174.189 174.600 0.123 0.000 1.091 72 S CA -0.899 57.417 58.200 0.194 0.000 1.032 72 S CB 2.096 65.393 63.200 0.161 0.000 1.064 72 S HN 0.298 nan 8.310 nan 0.000 0.508 73 L N 3.398 124.685 121.223 0.107 0.000 2.264 73 L HA 0.615 4.954 4.340 -0.000 0.000 0.289 73 L C -1.230 175.688 176.870 0.080 0.000 1.044 73 L CA -0.110 54.769 54.840 0.064 0.000 0.807 73 L CB 0.822 42.897 42.059 0.026 0.000 1.192 73 L HN 0.413 nan 8.230 nan 0.000 0.425 74 V N 6.922 126.872 119.914 0.059 0.000 2.409 74 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 74 V C -0.045 176.082 176.094 0.054 0.000 1.020 74 V CA -0.551 61.794 62.300 0.076 0.000 0.848 74 V CB 1.465 33.291 31.823 0.006 0.000 0.990 74 V HN 0.749 nan 8.190 nan 0.000 0.430 75 I N 2.132 122.743 120.570 0.067 0.000 2.646 75 I HA 1.086 5.256 4.170 -0.000 0.000 0.299 75 I C 0.093 176.236 176.117 0.043 0.000 1.036 75 I CA -0.261 61.060 61.300 0.034 0.000 1.074 75 I CB 2.273 40.271 38.000 -0.005 0.000 1.258 75 I HN 0.803 nan 8.210 nan 0.000 0.430 76 G N 2.935 111.754 108.800 0.033 0.000 2.359 76 G HA2 0.362 4.322 3.960 -0.000 0.000 0.293 76 G HA3 0.362 4.322 3.960 -0.000 0.000 0.293 76 G C -0.938 173.984 174.900 0.037 0.000 1.300 76 G CA -0.197 44.922 45.100 0.032 0.000 0.888 76 G HN 1.006 nan 8.290 nan 0.000 0.541 77 T N -1.750 112.823 114.554 0.032 0.000 2.950 77 T HA 0.722 5.072 4.350 -0.000 0.000 0.288 77 T C -1.848 172.869 174.700 0.029 0.000 1.035 77 T CA -1.431 60.690 62.100 0.035 0.000 1.028 77 T CB 2.521 71.408 68.868 0.032 0.000 1.109 77 T HN 0.187 nan 8.240 nan 0.000 0.514 78 P HA -0.078 nan 4.420 nan 0.000 0.217 78 P C 0.943 178.254 177.300 0.018 0.000 1.148 78 P CA 1.022 64.134 63.100 0.020 0.000 0.828 78 P CB 0.016 31.728 31.700 0.019 0.000 0.783 79 D N -0.985 119.427 120.400 0.020 0.000 2.178 79 D HA -0.104 4.535 4.640 -0.000 0.000 0.202 79 D C 1.236 177.546 176.300 0.017 0.000 0.974 79 D CA 1.236 55.246 54.000 0.017 0.000 0.841 79 D CB -0.472 40.338 40.800 0.017 0.000 0.953 79 D HN 0.399 nan 8.370 nan 0.000 0.478 80 N N -1.330 117.382 118.700 0.019 0.000 2.171 80 N HA -0.009 4.731 4.740 -0.000 0.000 0.212 80 N C -0.390 175.137 175.510 0.030 0.000 1.184 80 N CA -0.209 52.853 53.050 0.020 0.000 0.888 80 N CB 0.743 39.238 38.487 0.013 0.000 1.038 80 N HN -0.162 nan 8.380 nan 0.000 0.517 81 S N 0.472 116.192 115.700 0.033 0.000 2.652 81 S HA 0.448 4.918 4.470 -0.000 0.000 0.252 81 S C -2.214 172.403 174.600 0.028 0.000 1.219 81 S CA -1.289 56.939 58.200 0.047 0.000 1.151 81 S CB 1.091 64.323 63.200 0.053 0.000 1.080 81 S HN -0.161 nan 8.310 nan 0.000 0.481 82 P HA -0.101 nan 4.420 nan 0.000 0.217 82 P C 1.403 178.696 177.300 -0.011 0.000 1.148 82 P CA 0.967 64.072 63.100 0.008 0.000 0.828 82 P CB 0.094 31.800 31.700 0.010 0.000 0.783 83 L N -1.475 119.731 121.223 -0.028 0.000 2.017 83 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 83 L C 2.279 179.125 176.870 -0.040 0.000 1.073 83 L CA 1.243 56.045 54.840 -0.064 0.000 0.745 83 L CB -0.884 41.089 42.059 -0.144 0.000 0.894 83 L HN -0.041 nan 8.230 nan 0.000 0.432 84 I N 0.310 120.870 120.570 -0.017 0.000 2.252 84 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 84 I C 2.882 178.998 176.117 -0.001 0.000 1.102 84 I CA 1.536 62.835 61.300 -0.003 0.000 1.385 84 I CB -1.537 36.473 38.000 0.016 0.000 1.064 84 I HN 0.166 nan 8.210 nan 0.000 0.414 85 A N 1.200 124.021 122.820 0.001 0.000 1.883 85 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 85 A C 2.533 180.114 177.584 -0.005 0.000 1.186 85 A CA 2.587 54.625 52.037 0.002 0.000 0.624 85 A CB -1.028 17.974 19.000 0.004 0.000 0.822 85 A HN 0.560 nan 8.150 nan 0.000 0.444 86 S N -0.090 115.603 115.700 -0.013 0.000 2.440 86 S HA -0.101 4.368 4.470 -0.000 0.000 0.238 86 S C 1.670 176.258 174.600 -0.019 0.000 1.010 86 S CA 1.494 59.683 58.200 -0.019 0.000 0.972 86 S CB -0.705 62.477 63.200 -0.028 0.000 0.774 86 S HN 0.469 nan 8.310 nan 0.000 0.501 87 L N 0.917 122.130 121.223 -0.017 0.000 2.478 87 L HA 0.112 4.452 4.340 -0.000 0.000 0.223 87 L C 0.190 177.055 176.870 -0.008 0.000 1.140 87 L CA 0.252 55.083 54.840 -0.015 0.000 0.842 87 L CB -1.161 40.891 42.059 -0.012 0.000 0.953 87 L HN 0.330 nan 8.230 nan 0.000 0.452 88 N N -0.070 118.627 118.700 -0.005 0.000 2.686 88 N HA -0.231 4.509 4.740 -0.000 0.000 0.261 88 N C 0.774 176.285 175.510 0.001 0.000 1.001 88 N CA 0.033 53.082 53.050 -0.002 0.000 0.764 88 N CB -1.142 37.343 38.487 -0.004 0.000 0.898 88 N HN 0.294 nan 8.380 nan 0.000 0.544 89 L N -0.413 120.813 121.223 0.005 0.000 2.201 89 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 89 L C 2.200 179.075 176.870 0.007 0.000 1.105 89 L CA 1.081 55.926 54.840 0.008 0.000 0.775 89 L CB -0.810 41.258 42.059 0.014 0.000 0.913 89 L HN 0.715 nan 8.230 nan 0.000 0.440 90 G N 0.395 109.200 108.800 0.007 0.000 2.660 90 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.321 90 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.321 90 G C 0.824 175.728 174.900 0.006 0.000 1.246 90 G CA 0.716 45.820 45.100 0.006 0.000 1.000 90 G HN 0.359 nan 8.290 nan 0.000 0.550 91 E N 0.567 120.769 120.200 0.003 0.000 2.147 91 E HA -0.213 4.136 4.350 -0.000 0.000 0.199 91 E C 2.811 179.412 176.600 0.002 0.000 1.005 91 E CA 1.500 57.901 56.400 0.001 0.000 0.810 91 E CB -0.149 29.550 29.700 -0.001 0.000 0.736 91 E HN 0.543 nan 8.360 nan 0.000 0.460 92 R N 0.236 120.738 120.500 0.004 0.000 2.091 92 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 92 R C 2.491 178.796 176.300 0.009 0.000 1.136 92 R CA 1.030 57.133 56.100 0.005 0.000 0.959 92 R CB -0.316 29.989 30.300 0.009 0.000 0.856 92 R HN 0.210 nan 8.270 nan 0.000 0.437 93 L N 0.703 121.934 121.223 0.014 0.000 2.156 93 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 93 L C 2.468 179.348 176.870 0.017 0.000 1.095 93 L CA 1.142 55.996 54.840 0.022 0.000 0.770 93 L CB -0.273 41.803 42.059 0.028 0.000 0.914 93 L HN 0.298 nan 8.230 nan 0.000 0.439 94 Q N -0.257 119.549 119.800 0.010 0.000 2.096 94 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 94 Q C 2.285 178.284 176.000 -0.002 0.000 0.982 94 Q CA 1.694 57.500 55.803 0.006 0.000 0.850 94 Q CB -0.259 28.480 28.738 0.002 0.000 0.901 94 Q HN 0.543 nan 8.270 nan 0.000 0.422 95 A N 0.618 123.433 122.820 -0.007 0.000 2.125 95 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 95 A C 1.884 179.453 177.584 -0.026 0.000 1.156 95 A CA 0.873 52.899 52.037 -0.019 0.000 0.671 95 A CB -0.454 18.534 19.000 -0.021 0.000 0.794 95 A HN 0.288 nan 8.150 nan 0.000 0.459 96 L N -1.595 119.620 121.223 -0.013 0.000 2.341 96 L HA 0.190 4.530 4.340 -0.000 0.000 0.214 96 L C 1.752 178.620 176.870 -0.003 0.000 1.115 96 L CA 0.346 55.179 54.840 -0.012 0.000 0.820 96 L CB -1.107 40.962 42.059 0.017 0.000 0.944 96 L HN 0.592 nan 8.230 nan 0.000 0.452 97 G N 0.447 109.249 108.800 0.003 0.000 2.575 97 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 97 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 97 G C 0.727 175.648 174.900 0.036 0.000 1.264 97 G CA 0.186 45.290 45.100 0.007 0.000 0.935 97 G HN 0.311 nan 8.290 nan 0.000 0.568 98 A N -1.037 121.805 122.820 0.037 0.000 2.123 98 A HA 0.405 4.724 4.320 -0.000 0.000 0.214 98 A C 1.796 179.448 177.584 0.114 0.000 1.152 98 A CA 2.066 54.142 52.037 0.064 0.000 0.728 98 A CB -0.105 18.928 19.000 0.055 0.000 0.814 98 A HN 0.689 nan 8.150 nan 0.000 0.464 99 E N -1.089 119.193 120.200 0.137 0.000 2.641 99 E HA 0.184 4.534 4.350 -0.000 0.000 0.224 99 E C 0.867 177.719 176.600 0.420 0.000 0.951 99 E CA 0.011 56.589 56.400 0.297 0.000 1.102 99 E CB 0.802 30.675 29.700 0.288 0.000 1.091 99 E HN 0.455 nan 8.360 nan 0.000 0.507 100 G N 0.763 109.701 108.800 0.231 0.000 2.547 100 G HA2 0.432 4.391 3.960 -0.000 0.000 0.291 100 G HA3 0.432 4.391 3.960 -0.000 0.000 0.291 100 G C -0.743 174.317 174.900 0.267 0.000 1.211 100 G CA -0.221 44.995 45.100 0.194 0.000 0.950 100 G HN 0.130 nan 8.290 nan 0.000 0.504 101 Y N -2.307 118.139 120.300 0.244 0.000 2.670 101 Y HA 0.723 5.273 4.550 -0.000 0.000 0.334 101 Y C -1.408 174.574 175.900 0.137 0.000 1.185 101 Y CA -1.681 56.526 58.100 0.178 0.000 1.053 101 Y CB 1.660 40.238 38.460 0.197 0.000 1.298 101 Y HN 0.602 nan 8.280 nan 0.000 0.459 102 L N 3.082 124.476 121.223 0.286 0.000 2.386 102 L HA 0.731 5.071 4.340 -0.000 0.000 0.271 102 L C -1.960 175.041 176.870 0.219 0.000 0.993 102 L CA -0.976 53.973 54.840 0.182 0.000 0.819 102 L CB 1.780 43.896 42.059 0.094 0.000 1.294 102 L HN 0.788 nan 8.230 nan 0.000 0.414 103 L N 4.752 126.076 121.223 0.169 0.000 2.325 103 L HA 0.632 4.972 4.340 -0.000 0.000 0.281 103 L C -0.779 176.120 176.870 0.048 0.000 1.004 103 L CA -0.378 54.513 54.840 0.086 0.000 0.823 103 L CB 1.805 43.876 42.059 0.020 0.000 1.236 103 L HN 0.644 nan 8.230 nan 0.000 0.415 104 E N 2.702 122.926 120.200 0.039 0.000 2.321 104 E HA 0.168 4.518 4.350 -0.000 0.000 0.281 104 E C -1.543 175.078 176.600 0.034 0.000 0.910 104 E CA -0.631 55.790 56.400 0.035 0.000 0.770 104 E CB 2.286 32.005 29.700 0.033 0.000 1.225 104 E HN 0.558 nan 8.360 nan 0.000 0.417 105 Q N 2.907 122.732 119.800 0.041 0.000 2.288 105 Q HA 0.356 4.696 4.340 -0.000 0.000 0.258 105 Q C -0.882 175.139 176.000 0.035 0.000 0.957 105 Q CA 0.407 56.241 55.803 0.052 0.000 0.919 105 Q CB 1.390 30.172 28.738 0.074 0.000 1.185 105 Q HN 0.626 nan 8.270 nan 0.000 0.408 106 T N 2.424 116.989 114.554 0.020 0.000 2.630 106 T HA 0.552 4.901 4.350 -0.000 0.000 0.300 106 T C -1.723 172.945 174.700 -0.053 0.000 1.261 106 T CA -0.716 61.378 62.100 -0.011 0.000 1.060 106 T CB 1.031 69.892 68.868 -0.011 0.000 1.670 106 T HN 0.546 nan 8.240 nan 0.000 0.473 107 R N 0.931 121.383 120.500 -0.080 0.000 2.628 107 R HA 0.667 5.007 4.340 -0.000 0.000 0.288 107 R C -1.183 175.054 176.300 -0.104 0.000 0.980 107 R CA -0.600 55.420 56.100 -0.134 0.000 0.891 107 R CB 1.152 31.347 30.300 -0.174 0.000 1.188 107 R HN 0.611 nan 8.270 nan 0.000 0.450 108 I N 1.956 122.457 120.570 -0.116 0.000 2.468 108 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 108 I C -0.302 175.753 176.117 -0.105 0.000 1.038 108 I CA -0.638 60.603 61.300 -0.098 0.000 1.083 108 I CB 1.402 39.343 38.000 -0.098 0.000 1.223 108 I HN 0.661 nan 8.210 nan 0.000 0.443 109 N N 5.697 124.344 118.700 -0.088 0.000 2.725 109 N HA -0.267 4.472 4.740 -0.000 0.000 0.251 109 N C 0.935 176.389 175.510 -0.093 0.000 1.031 109 N CA 1.009 54.011 53.050 -0.079 0.000 0.720 109 N CB -0.541 37.903 38.487 -0.071 0.000 0.930 109 N HN 0.838 nan 8.380 nan 0.000 0.543 110 K N -1.894 118.435 120.400 -0.118 0.000 3.606 110 K HA -0.330 3.990 4.320 -0.000 0.000 0.289 110 K C -0.482 175.987 176.600 -0.219 0.000 1.221 110 K CA 1.556 57.752 56.287 -0.153 0.000 1.028 110 K CB -0.581 31.859 32.500 -0.101 0.000 1.299 110 K HN 0.362 nan 8.250 nan 0.000 0.454 111 R N 1.572 121.963 120.500 -0.182 0.000 2.438 111 R HA 0.249 4.589 4.340 -0.000 0.000 0.287 111 R C -0.470 175.663 176.300 -0.278 0.000 1.077 111 R CA -0.035 55.952 56.100 -0.188 0.000 1.034 111 R CB 0.265 30.494 30.300 -0.119 0.000 0.993 111 R HN 0.223 nan 8.270 nan 0.000 0.459 112 H N 0.731 119.593 119.070 -0.347 0.000 2.848 112 H HA 0.306 4.862 4.556 -0.000 0.000 0.317 112 H C 0.022 175.208 175.328 -0.235 0.000 1.046 112 H CA -0.011 55.806 56.048 -0.385 0.000 1.470 112 H CB 0.515 29.759 29.762 -0.863 0.000 1.483 112 H HN 0.366 nan 8.280 nan 0.000 0.548 113 V N 0.981 120.883 119.914 -0.021 0.000 3.078 113 V HA 0.679 4.798 4.120 -0.000 0.000 0.311 113 V C -0.803 175.316 176.094 0.043 0.000 1.138 113 V CA -0.982 61.325 62.300 0.012 0.000 1.007 113 V CB 2.203 34.011 31.823 -0.025 0.000 1.045 113 V HN 0.440 nan 8.190 nan 0.000 0.432 114 V N 4.124 124.070 119.914 0.053 0.000 2.448 114 V HA 0.563 4.682 4.120 -0.000 0.000 0.295 114 V C -0.008 176.103 176.094 0.029 0.000 1.025 114 V CA -0.388 61.939 62.300 0.046 0.000 0.859 114 V CB 1.460 33.315 31.823 0.054 0.000 0.988 114 V HN 0.978 nan 8.190 nan 0.000 0.431 115 I N 2.709 123.293 120.570 0.024 0.000 2.498 115 I HA 0.778 4.947 4.170 -0.000 0.000 0.301 115 I C -0.718 175.417 176.117 0.029 0.000 0.984 115 I CA -0.727 60.587 61.300 0.023 0.000 1.204 115 I CB 1.967 39.980 38.000 0.022 0.000 1.362 115 I HN 0.254 nan 8.210 nan 0.000 0.471 116 V N 5.465 125.395 119.914 0.027 0.000 2.305 116 V HA 0.690 4.810 4.120 -0.000 0.000 0.275 116 V C 0.361 176.490 176.094 0.059 0.000 1.020 116 V CA -0.275 62.045 62.300 0.033 0.000 0.811 116 V CB 0.703 32.515 31.823 -0.019 0.000 1.031 116 V HN 0.940 nan 8.190 nan 0.000 0.439 117 A N 3.971 126.851 122.820 0.100 0.000 2.350 117 A HA 1.047 5.366 4.320 -0.000 0.000 0.324 117 A C -0.133 177.536 177.584 0.142 0.000 1.118 117 A CA -0.012 52.082 52.037 0.096 0.000 0.783 117 A CB 1.842 20.885 19.000 0.072 0.000 1.236 117 A HN 1.385 nan 8.150 nan 0.000 0.457 118 A N 0.992 123.881 122.820 0.115 0.000 2.599 118 A HA 0.624 4.944 4.320 -0.000 0.000 0.290 118 A C 0.111 177.747 177.584 0.087 0.000 1.101 118 A CA -0.605 51.511 52.037 0.131 0.000 0.674 118 A CB 0.459 19.566 19.000 0.177 0.000 1.277 118 A HN 0.639 nan 8.150 nan 0.000 0.419 119 N N 0.206 118.957 118.700 0.084 0.000 2.354 119 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 119 N C 0.765 176.308 175.510 0.055 0.000 1.021 119 N CA 1.566 54.652 53.050 0.060 0.000 0.887 119 N CB 0.031 38.550 38.487 0.053 0.000 0.974 119 N HN 0.812 nan 8.380 nan 0.000 0.437 120 S N -0.535 115.203 115.700 0.064 0.000 2.677 120 S HA 0.389 4.859 4.470 -0.000 0.000 0.304 120 S C 0.223 174.840 174.600 0.029 0.000 1.108 120 S CA -0.789 57.439 58.200 0.046 0.000 0.944 120 S CB 2.225 65.458 63.200 0.054 0.000 1.127 120 S HN -0.212 nan 8.310 nan 0.000 0.511 121 D N 0.757 121.159 120.400 0.005 0.000 2.144 121 D HA -0.063 4.576 4.640 -0.000 0.000 0.200 121 D C 1.913 178.170 176.300 -0.072 0.000 0.978 121 D CA 0.786 54.772 54.000 -0.025 0.000 0.833 121 D CB -0.363 40.419 40.800 -0.029 0.000 0.961 121 D HN 0.319 nan 8.370 nan 0.000 0.470 122 V N 0.757 120.615 119.914 -0.093 0.000 2.427 122 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 122 V C 2.191 178.070 176.094 -0.359 0.000 1.051 122 V CA 2.207 64.345 62.300 -0.270 0.000 1.048 122 V CB -0.573 31.116 31.823 -0.223 0.000 0.666 122 V HN 0.254 nan 8.190 nan 0.000 0.456 123 G N -0.608 108.172 108.800 -0.033 0.000 2.440 123 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 123 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 123 G C 1.663 176.657 174.900 0.158 0.000 1.154 123 G CA 1.263 46.484 45.100 0.203 0.000 0.767 123 G HN 0.432 nan 8.290 nan 0.000 0.552 124 V N 0.748 120.690 119.914 0.046 0.000 2.343 124 V HA -0.159 3.960 4.120 -0.000 0.000 0.247 124 V C 2.689 178.744 176.094 -0.065 0.000 1.051 124 V CA 1.692 63.994 62.300 0.003 0.000 1.036 124 V CB -0.537 31.278 31.823 -0.013 0.000 0.654 124 V HN 0.361 nan 8.190 nan 0.000 0.451 125 L N -0.518 120.640 121.223 -0.108 0.000 1.989 125 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 125 L C 2.405 179.322 176.870 0.079 0.000 1.071 125 L CA 2.218 57.005 54.840 -0.088 0.000 0.749 125 L CB -0.852 41.138 42.059 -0.115 0.000 0.890 125 L HN 0.346 nan 8.230 nan 0.000 0.431 126 Y N 0.121 120.503 120.300 0.137 0.000 2.181 126 Y HA -0.059 4.491 4.550 -0.001 0.000 0.288 126 Y C 2.603 178.271 175.900 -0.387 0.000 1.146 126 Y CA 0.891 59.018 58.100 0.044 0.000 1.164 126 Y CB -1.679 36.891 38.460 0.184 0.000 0.982 126 Y HN 0.254 nan 8.280 nan 0.000 0.515 127 G N -1.074 107.394 108.800 -0.554 0.000 2.422 127 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.218 127 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.218 127 G C 1.905 176.556 174.900 -0.415 0.000 1.146 127 G CA 1.241 45.689 45.100 -1.085 0.000 0.769 127 G HN 0.402 nan 8.290 nan 0.000 0.547 128 S N 0.541 116.105 115.700 -0.226 0.000 2.368 128 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 128 S C 1.962 176.463 174.600 -0.165 0.000 1.029 128 S CA 0.846 58.923 58.200 -0.205 0.000 0.988 128 S CB -0.358 62.689 63.200 -0.255 0.000 0.838 128 S HN 0.317 nan 8.310 nan 0.000 0.462 129 F N 1.045 120.958 119.950 -0.062 0.000 2.186 129 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 129 F C 2.307 178.105 175.800 -0.002 0.000 1.090 129 F CA 1.314 59.314 58.000 0.001 0.000 1.307 129 F CB -0.681 38.339 39.000 0.034 0.000 1.019 129 F HN 0.381 nan 8.300 nan 0.000 0.489 130 H N -0.488 118.550 119.070 -0.053 0.000 2.357 130 H HA -0.148 4.408 4.556 -0.000 0.000 0.301 130 H C 2.436 177.728 175.328 -0.060 0.000 1.082 130 H CA 0.877 56.864 56.048 -0.101 0.000 1.342 130 H CB -0.067 29.582 29.762 -0.188 0.000 1.389 130 H HN 0.149 nan 8.280 nan 0.000 0.511 131 L N 1.164 122.355 121.223 -0.053 0.000 2.012 131 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 131 L C 2.215 179.053 176.870 -0.053 0.000 1.073 131 L CA 1.494 56.272 54.840 -0.103 0.000 0.748 131 L CB -0.926 41.061 42.059 -0.121 0.000 0.891 131 L HN 0.434 nan 8.230 nan 0.000 0.431 132 L N -0.279 120.932 121.223 -0.021 0.000 2.042 132 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 132 L C 2.848 179.774 176.870 0.092 0.000 1.076 132 L CA 1.561 56.404 54.840 0.007 0.000 0.749 132 L CB -0.577 41.516 42.059 0.056 0.000 0.893 132 L HN 0.328 nan 8.230 nan 0.000 0.432 133 R N 0.548 121.144 120.500 0.160 0.000 2.096 133 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 133 R C 2.309 178.695 176.300 0.143 0.000 1.127 133 R CA 1.247 57.449 56.100 0.170 0.000 0.968 133 R CB -0.204 30.200 30.300 0.174 0.000 0.861 133 R HN 0.311 nan 8.270 nan 0.000 0.440 134 L N 0.326 121.619 121.223 0.117 0.000 2.042 134 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 134 L C 2.402 179.347 176.870 0.126 0.000 1.076 134 L CA 1.376 56.277 54.840 0.103 0.000 0.749 134 L CB -0.336 41.738 42.059 0.025 0.000 0.893 134 L HN 0.271 nan 8.230 nan 0.000 0.432 135 I N -0.869 119.674 120.570 -0.044 0.000 2.286 135 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 135 I C 2.595 178.701 176.117 -0.018 0.000 1.104 135 I CA 1.093 62.243 61.300 -0.250 0.000 1.397 135 I CB -0.301 37.398 38.000 -0.500 0.000 1.072 135 I HN 0.302 nan 8.210 nan 0.000 0.417 136 Q N 0.155 119.984 119.800 0.048 0.000 2.152 136 Q HA -0.218 4.121 4.340 -0.000 0.000 0.206 136 Q C 1.787 177.851 176.000 0.106 0.000 0.985 136 Q CA 2.165 58.022 55.803 0.090 0.000 0.863 136 Q CB -0.231 28.576 28.738 0.114 0.000 0.904 136 Q HN 0.616 nan 8.270 nan 0.000 0.422 137 T N -3.234 111.420 114.554 0.167 0.000 3.145 137 T HA 0.138 4.487 4.350 -0.000 0.000 0.255 137 T C -0.007 174.818 174.700 0.207 0.000 1.039 137 T CA -0.287 61.939 62.100 0.211 0.000 0.928 137 T CB 0.343 69.397 68.868 0.310 0.000 1.029 137 T HN 0.218 nan 8.240 nan 0.000 0.554 138 Q N 0.507 120.436 119.800 0.215 0.000 2.468 138 Q HA -0.180 4.160 4.340 -0.000 0.000 0.289 138 Q C -0.987 175.070 176.000 0.096 0.000 1.299 138 Q CA 0.437 56.359 55.803 0.199 0.000 0.838 138 Q CB -2.097 26.691 28.738 0.082 0.000 1.195 138 Q HN 0.774 nan 8.270 nan 0.000 0.456 139 H N -0.591 118.605 119.070 0.210 0.000 2.481 139 H HA 0.594 5.150 4.556 -0.001 0.000 0.339 139 H C 0.332 175.790 175.328 0.216 0.000 1.131 139 H CA 0.359 56.505 56.048 0.163 0.000 1.301 139 H CB 1.124 30.963 29.762 0.129 0.000 1.476 139 H HN 0.396 nan 8.280 nan 0.000 0.529 140 A N 2.503 125.455 122.820 0.221 0.000 2.388 140 A HA 0.162 4.482 4.320 -0.000 0.000 0.257 140 A C 0.366 178.068 177.584 0.198 0.000 1.095 140 A CA -0.332 51.800 52.037 0.159 0.000 0.791 140 A CB 0.268 19.305 19.000 0.061 0.000 1.029 140 A HN 0.611 nan 8.150 nan 0.000 0.489 141 L N 0.563 121.909 121.223 0.206 0.000 2.529 141 L HA 0.187 4.527 4.340 -0.000 0.000 0.223 141 L C 0.984 177.923 176.870 0.115 0.000 1.113 141 L CA 0.741 55.681 54.840 0.166 0.000 0.861 141 L CB -1.008 41.170 42.059 0.199 0.000 1.012 141 L HN 0.802 nan 8.230 nan 0.000 0.461 142 E N 1.014 121.270 120.200 0.094 0.000 2.376 142 E HA 0.015 4.365 4.350 -0.000 0.000 0.266 142 E C 0.525 177.167 176.600 0.070 0.000 1.009 142 E CA 0.260 56.706 56.400 0.077 0.000 0.902 142 E CB 0.199 29.931 29.700 0.053 0.000 0.972 142 E HN -0.032 nan 8.360 nan 0.000 0.439 143 K N 1.716 122.156 120.400 0.068 0.000 3.209 143 K HA -0.239 4.081 4.320 -0.000 0.000 0.289 143 K C -0.107 176.526 176.600 0.054 0.000 1.191 143 K CA 0.389 56.710 56.287 0.056 0.000 0.851 143 K CB -1.986 30.543 32.500 0.048 0.000 1.242 143 K HN 0.530 nan 8.250 nan 0.000 0.480 144 L N 1.124 122.382 121.223 0.059 0.000 2.540 144 L HA 0.137 4.476 4.340 -0.000 0.000 0.276 144 L C 0.199 177.093 176.870 0.039 0.000 1.212 144 L CA 1.036 55.905 54.840 0.049 0.000 0.893 144 L CB 0.839 42.925 42.059 0.046 0.000 1.138 144 L HN 0.207 nan 8.230 nan 0.000 0.491 145 S N 5.864 121.585 115.700 0.035 0.000 2.446 145 S HA 0.634 5.104 4.470 -0.000 0.000 0.230 145 S C -1.391 173.228 174.600 0.032 0.000 1.051 145 S CA -0.671 57.548 58.200 0.032 0.000 1.113 145 S CB -0.055 63.163 63.200 0.029 0.000 1.184 145 S HN 0.807 nan 8.310 nan 0.000 0.435 146 L N 1.990 123.234 121.223 0.036 0.000 2.466 146 L HA 1.035 5.375 4.340 -0.000 0.000 0.258 146 L C -0.666 176.234 176.870 0.049 0.000 0.973 146 L CA -0.527 54.339 54.840 0.043 0.000 0.826 146 L CB 1.688 43.777 42.059 0.051 0.000 1.372 146 L HN 0.436 nan 8.230 nan 0.000 0.409 147 S N 0.584 116.296 115.700 0.019 0.000 2.570 147 S HA 0.944 5.414 4.470 -0.000 0.000 0.286 147 S C -0.705 173.832 174.600 -0.105 0.000 1.099 147 S CA -0.285 57.885 58.200 -0.050 0.000 0.913 147 S CB 1.750 64.928 63.200 -0.036 0.000 1.085 147 S HN 1.262 nan 8.310 nan 0.000 0.480 148 S N 0.122 115.634 115.700 -0.313 0.000 2.537 148 S HA 0.804 5.273 4.470 -0.000 0.000 0.270 148 S C -1.366 173.133 174.600 -0.168 0.000 1.142 148 S CA -0.193 57.904 58.200 -0.171 0.000 0.870 148 S CB 1.304 64.510 63.200 0.010 0.000 1.112 148 S HN 1.776 nan 8.310 nan 0.000 0.466 149 A N 4.159 126.925 122.820 -0.089 0.000 2.475 149 A HA 0.919 5.239 4.320 -0.000 0.000 0.301 149 A C -3.041 174.140 177.584 -0.671 0.000 1.059 149 A CA -1.680 50.212 52.037 -0.243 0.000 0.710 149 A CB 1.413 20.299 19.000 -0.191 0.000 1.288 149 A HN 0.568 nan 8.150 nan 0.000 0.408 150 P HA 0.272 nan 4.420 nan 0.000 0.275 150 P C -0.112 176.776 177.300 -0.687 0.000 1.228 150 P CA -0.174 62.015 63.100 -1.517 0.000 0.786 150 P CB 0.932 31.743 31.700 -1.481 0.000 0.927 151 R N 0.893 121.083 120.500 -0.516 0.000 2.280 151 R HA 0.272 4.612 4.340 -0.000 0.000 0.195 151 R C 0.420 176.624 176.300 -0.161 0.000 0.935 151 R CA 0.262 56.210 56.100 -0.253 0.000 1.033 151 R CB -0.023 30.174 30.300 -0.171 0.000 0.964 151 R HN 0.434 nan 8.270 nan 0.000 0.489 152 L N -0.090 121.009 121.223 -0.207 0.000 2.381 152 L HA 0.282 4.622 4.340 -0.000 0.000 0.268 152 L C 1.012 177.782 176.870 -0.166 0.000 0.997 152 L CA -0.568 54.187 54.840 -0.142 0.000 0.818 152 L CB 2.264 44.255 42.059 -0.114 0.000 1.310 152 L HN -0.108 nan 8.230 nan 0.000 0.416 153 Q N 0.696 120.420 119.800 -0.127 0.000 2.049 153 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 153 Q C -0.206 175.621 176.000 -0.288 0.000 0.971 153 Q CA 1.274 56.948 55.803 -0.215 0.000 0.833 153 Q CB 0.260 28.859 28.738 -0.232 0.000 0.896 153 Q HN 0.617 nan 8.270 nan 0.000 0.434 154 H N 0.180 119.272 119.070 0.036 0.000 2.595 154 H HA 0.380 4.936 4.556 -0.000 0.000 0.313 154 H C -1.058 174.243 175.328 -0.045 0.000 1.023 154 H CA -0.474 55.602 56.048 0.048 0.000 1.218 154 H CB 0.925 30.727 29.762 0.067 0.000 1.403 154 H HN 0.037 nan 8.280 nan 0.000 0.477 155 R N 3.098 123.646 120.500 0.080 0.000 2.352 155 R HA 0.410 4.750 4.340 -0.000 0.000 0.304 155 R C -1.231 175.124 176.300 0.092 0.000 1.104 155 R CA -0.669 55.443 56.100 0.019 0.000 0.991 155 R CB 1.824 32.102 30.300 -0.036 0.000 1.140 155 R HN 0.311 nan 8.270 nan 0.000 0.540 156 V N 3.258 123.231 119.914 0.098 0.000 2.914 156 V HA 0.666 4.786 4.120 -0.000 0.000 0.314 156 V C -0.494 175.650 176.094 0.085 0.000 1.084 156 V CA -0.765 61.575 62.300 0.068 0.000 0.963 156 V CB 2.371 34.123 31.823 -0.119 0.000 1.025 156 V HN 0.446 nan 8.190 nan 0.000 0.432 157 V N 3.307 123.244 119.914 0.038 0.000 2.732 157 V HA 0.770 4.890 4.120 -0.000 0.000 0.310 157 V C -0.560 175.468 176.094 -0.109 0.000 1.053 157 V CA -0.681 61.534 62.300 -0.142 0.000 0.957 157 V CB 1.763 33.486 31.823 -0.168 0.000 1.018 157 V HN 0.898 nan 8.190 nan 0.000 0.452 158 N N 1.251 119.774 118.700 -0.295 0.000 2.269 158 N HA 0.543 5.282 4.740 -0.000 0.000 0.304 158 N C -1.159 174.152 175.510 -0.331 0.000 1.072 158 N CA -0.487 52.474 53.050 -0.148 0.000 0.802 158 N CB 1.375 39.785 38.487 -0.128 0.000 1.348 158 N HN 0.855 nan 8.380 nan 0.000 0.484 159 H N 0.787 119.873 119.070 0.026 0.000 2.727 159 H HA 0.190 4.746 4.556 -0.000 0.000 0.330 159 H C -0.341 175.125 175.328 0.230 0.000 0.986 159 H CA -0.417 55.663 56.048 0.053 0.000 1.251 159 H CB 1.368 31.289 29.762 0.265 0.000 1.493 159 H HN 0.475 nan 8.280 nan 0.000 0.515 160 W N 3.305 124.617 121.300 0.021 0.000 1.694 160 W HA 0.140 4.800 4.660 -0.001 0.000 0.425 160 W C -0.504 175.994 176.519 -0.035 0.000 0.615 160 W CA -0.857 56.461 57.345 -0.047 0.000 2.237 160 W CB -0.931 28.420 29.460 -0.181 0.000 1.478 160 W HN 0.453 nan 8.180 nan 0.000 0.427 161 D N 0.958 121.536 120.400 0.297 0.000 2.232 161 D HA 0.123 4.763 4.640 -0.000 0.000 0.242 161 D C 0.406 176.844 176.300 0.231 0.000 1.093 161 D CA -0.166 53.982 54.000 0.247 0.000 0.845 161 D CB 0.879 41.891 40.800 0.354 0.000 1.124 161 D HN -0.092 nan 8.370 nan 0.000 0.467 162 N N 1.282 120.086 118.700 0.174 0.000 2.493 162 N HA 0.216 4.956 4.740 -0.000 0.000 0.275 162 N C 1.210 176.846 175.510 0.210 0.000 1.186 162 N CA -0.439 52.700 53.050 0.147 0.000 0.978 162 N CB 1.164 39.727 38.487 0.126 0.000 1.184 162 N HN 0.309 nan 8.380 nan 0.000 0.487 163 L N 0.742 122.023 121.223 0.097 0.000 2.376 163 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 163 L C 1.508 178.507 176.870 0.215 0.000 1.133 163 L CA 0.635 55.511 54.840 0.060 0.000 0.816 163 L CB -0.436 41.417 42.059 -0.343 0.000 0.933 163 L HN 0.544 nan 8.230 nan 0.000 0.449 164 N N 0.984 119.783 118.700 0.165 0.000 2.571 164 N HA -0.185 4.554 4.740 -0.000 0.000 0.189 164 N C 0.696 176.334 175.510 0.212 0.000 1.154 164 N CA 0.358 53.515 53.050 0.179 0.000 0.907 164 N CB -0.130 38.429 38.487 0.120 0.000 0.977 164 N HN 0.262 nan 8.380 nan 0.000 0.449 165 R N -2.590 118.063 120.500 0.256 0.000 3.804 165 R HA -0.097 4.243 4.340 -0.000 0.000 0.459 165 R C -0.934 175.441 176.300 0.126 0.000 1.009 165 R CA 0.714 56.937 56.100 0.205 0.000 1.210 165 R CB -2.390 28.008 30.300 0.164 0.000 1.860 165 R HN 0.101 nan 8.270 nan 0.000 0.526 166 V N 1.908 121.907 119.914 0.141 0.000 2.583 166 V HA 0.236 4.356 4.120 -0.000 0.000 0.287 166 V C 0.870 177.025 176.094 0.102 0.000 1.051 166 V CA -0.228 62.153 62.300 0.135 0.000 1.010 166 V CB 1.724 33.665 31.823 0.196 0.000 0.988 166 V HN -0.014 nan 8.190 nan 0.000 0.478 167 V N 4.375 124.304 119.914 0.024 0.000 2.394 167 V HA 0.272 4.392 4.120 -0.000 0.000 0.282 167 V C 0.301 176.234 176.094 -0.269 0.000 1.031 167 V CA -0.602 61.651 62.300 -0.078 0.000 0.881 167 V CB 1.399 33.155 31.823 -0.112 0.000 0.982 167 V HN 0.972 nan 8.190 nan 0.000 0.451 168 E N 5.889 125.820 120.200 -0.448 0.000 2.217 168 E HA 0.195 4.545 4.350 -0.000 0.000 0.279 168 E C -0.026 176.194 176.600 -0.632 0.000 1.068 168 E CA -0.466 55.282 56.400 -1.086 0.000 0.882 168 E CB 0.155 29.196 29.700 -1.098 0.000 1.039 168 E HN 0.520 nan 8.360 nan 0.000 0.418 169 R N 1.728 121.778 120.500 -0.751 0.000 3.423 169 R HA -0.132 4.208 4.340 -0.000 0.000 0.271 169 R C -0.488 175.189 176.300 -1.039 0.000 1.093 169 R CA 0.882 56.597 56.100 -0.641 0.000 0.730 169 R CB -2.549 27.657 30.300 -0.158 0.000 1.190 169 R HN 0.592 nan 8.270 nan 0.000 0.437 170 G N -0.054 108.100 108.800 -1.075 0.000 2.437 170 G HA2 0.552 4.511 3.960 -0.000 0.000 0.315 170 G HA3 0.552 4.511 3.960 -0.000 0.000 0.315 170 G C -0.151 174.229 174.900 -0.868 0.000 1.210 170 G CA -0.546 44.061 45.100 -0.821 0.000 0.943 170 G HN 0.199 nan 8.290 nan 0.000 0.471 171 Y N 1.259 121.500 120.300 -0.098 0.000 2.660 171 Y HA 0.452 5.001 4.550 -0.001 0.000 0.254 171 Y C 1.493 177.422 175.900 0.049 0.000 1.176 171 Y CA -0.317 57.763 58.100 -0.033 0.000 1.195 171 Y CB 0.961 39.407 38.460 -0.023 0.000 1.190 171 Y HN 0.638 nan 8.280 nan 0.000 0.535 172 A N -0.343 122.525 122.820 0.079 0.000 2.609 172 A HA 0.700 5.019 4.320 -0.000 0.000 0.286 172 A C 1.047 178.664 177.584 0.055 0.000 1.138 172 A CA 0.256 52.358 52.037 0.108 0.000 0.960 172 A CB -0.321 18.760 19.000 0.134 0.000 1.208 172 A HN 0.492 nan 8.150 nan 0.000 0.541 173 G N -0.794 108.023 108.800 0.028 0.000 2.422 173 G HA2 0.042 4.002 3.960 -0.000 0.000 0.607 173 G HA3 0.042 4.002 3.960 -0.000 0.000 0.607 173 G C -0.555 174.331 174.900 -0.022 0.000 1.270 173 G CA -0.646 44.458 45.100 0.007 0.000 0.992 173 G HN 0.545 nan 8.290 nan 0.000 0.499 174 L N 0.430 121.635 121.223 -0.029 0.000 2.472 174 L HA 0.492 4.832 4.340 -0.000 0.000 0.260 174 L C 1.729 178.535 176.870 -0.106 0.000 1.209 174 L CA 0.129 54.947 54.840 -0.036 0.000 0.817 174 L CB 1.005 43.054 42.059 -0.018 0.000 1.106 174 L HN 0.798 nan 8.230 nan 0.000 0.479 175 S N 0.392 116.026 115.700 -0.111 0.000 2.558 175 S HA 0.030 4.500 4.470 -0.000 0.000 0.291 175 S C 1.163 175.490 174.600 -0.455 0.000 1.306 175 S CA -0.419 57.617 58.200 -0.272 0.000 1.056 175 S CB 0.306 63.433 63.200 -0.121 0.000 0.836 175 S HN 0.504 nan 8.310 nan 0.000 0.504 176 L N 3.278 123.987 121.223 -0.856 0.000 2.265 176 L HA -0.002 4.338 4.340 -0.000 0.000 0.215 176 L C 0.452 177.004 176.870 -0.529 0.000 1.117 176 L CA 0.523 54.880 54.840 -0.806 0.000 0.782 176 L CB -0.216 41.158 42.059 -1.141 0.000 0.914 176 L HN 0.690 nan 8.230 nan 0.000 0.441 177 W N 0.156 121.308 121.300 -0.246 0.000 2.437 177 W HA 0.181 4.842 4.660 0.000 0.000 0.312 177 W C 0.093 176.201 176.519 -0.685 0.000 1.242 177 W CA -1.038 55.925 57.345 -0.637 0.000 1.340 177 W CB 0.090 28.841 29.460 -1.181 0.000 1.327 177 W HN -0.122 nan 8.180 nan 0.000 0.476 178 D N 3.376 123.685 120.400 -0.152 0.000 2.563 178 D HA 0.105 4.745 4.640 -0.000 0.000 0.222 178 D C 0.600 176.896 176.300 -0.007 0.000 1.145 178 D CA -0.529 53.447 54.000 -0.039 0.000 1.001 178 D CB -0.009 40.854 40.800 0.105 0.000 1.049 178 D HN 0.378 nan 8.370 nan 0.000 0.515 179 W N 1.994 123.409 121.300 0.192 0.000 2.325 179 W HA -0.080 4.579 4.660 -0.001 0.000 0.299 179 W C 2.460 178.999 176.519 0.033 0.000 1.215 179 W CA 0.695 58.104 57.345 0.106 0.000 1.244 179 W CB -0.244 29.337 29.460 0.201 0.000 1.140 179 W HN 0.453 nan 8.180 nan 0.000 0.523 180 G N -0.337 108.623 108.800 0.267 0.000 2.470 180 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 180 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 180 G C 1.393 176.363 174.900 0.118 0.000 1.121 180 G CA 1.382 46.579 45.100 0.162 0.000 0.766 180 G HN 0.338 nan 8.290 nan 0.000 0.553 181 S N -0.992 114.792 115.700 0.140 0.000 2.539 181 S HA 0.418 4.888 4.470 -0.000 0.000 0.221 181 S C 0.644 175.342 174.600 0.164 0.000 0.987 181 S CA -0.574 57.716 58.200 0.151 0.000 0.929 181 S CB 0.109 63.430 63.200 0.202 0.000 0.832 181 S HN 0.122 nan 8.310 nan 0.000 0.492 182 L N 2.520 123.821 121.223 0.131 0.000 2.399 182 L HA 0.397 4.737 4.340 -0.000 0.000 0.266 182 L C -1.423 175.468 176.870 0.036 0.000 1.114 182 L CA -2.091 52.800 54.840 0.085 0.000 0.804 182 L CB 1.030 43.123 42.059 0.057 0.000 1.146 182 L HN -0.007 nan 8.230 nan 0.000 0.451 183 P HA 0.038 nan 4.420 nan 0.000 0.249 183 P C 0.293 177.628 177.300 0.058 0.000 1.229 183 P CA 0.475 63.584 63.100 0.015 0.000 0.788 183 P CB 0.209 31.903 31.700 -0.010 0.000 1.072 184 N N -0.423 118.328 118.700 0.084 0.000 2.120 184 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 184 N C 0.376 175.998 175.510 0.186 0.000 1.024 184 N CA 0.939 54.054 53.050 0.110 0.000 0.852 184 N CB -0.851 37.693 38.487 0.094 0.000 1.003 184 N HN 0.196 nan 8.380 nan 0.000 0.424 185 Y N 1.672 122.009 120.300 0.062 0.000 2.454 185 Y HA 0.363 4.914 4.550 0.002 0.000 0.345 185 Y C -0.778 175.205 175.900 0.139 0.000 0.970 185 Y CA -1.422 56.721 58.100 0.072 0.000 1.204 185 Y CB 0.151 38.640 38.460 0.049 0.000 1.122 185 Y HN -0.063 nan 8.280 nan 0.000 0.514 186 L N 7.282 128.440 121.223 -0.109 0.000 2.375 186 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 186 L C 0.640 177.210 176.870 -0.501 0.000 1.162 186 L CA -0.625 54.141 54.840 -0.123 0.000 0.991 186 L CB -0.303 41.770 42.059 0.023 0.000 1.315 186 L HN 0.737 nan 8.230 nan 0.000 0.431 187 A N 4.286 126.530 122.820 -0.959 0.000 2.477 187 A HA 0.307 4.626 4.320 -0.000 0.000 0.246 187 A C -1.284 176.000 177.584 -0.501 0.000 1.078 187 A CA -0.993 50.358 52.037 -1.144 0.000 0.770 187 A CB 0.189 18.402 19.000 -1.312 0.000 1.011 187 A HN 0.462 nan 8.150 nan 0.000 0.494 188 P HA -0.176 nan 4.420 nan 0.000 0.217 188 P C 1.562 178.895 177.300 0.055 0.000 1.148 188 P CA 1.210 64.300 63.100 -0.017 0.000 0.828 188 P CB 0.062 31.784 31.700 0.036 0.000 0.783 189 R N -1.307 119.170 120.500 -0.039 0.000 2.159 189 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 189 R C 1.949 178.453 176.300 0.340 0.000 1.131 189 R CA 1.304 57.490 56.100 0.143 0.000 0.982 189 R CB -0.534 29.742 30.300 -0.038 0.000 0.868 189 R HN 0.173 nan 8.270 nan 0.000 0.453 190 Y N -0.353 120.118 120.300 0.284 0.000 2.224 190 Y HA -0.123 4.427 4.550 -0.000 0.000 0.289 190 Y C 2.468 178.663 175.900 0.492 0.000 1.146 190 Y CA 1.343 59.704 58.100 0.435 0.000 1.182 190 Y CB -0.920 37.688 38.460 0.247 0.000 0.983 190 Y HN 0.020 nan 8.280 nan 0.000 0.524 191 T N -0.264 114.559 114.554 0.448 0.000 2.821 191 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 191 T C 1.353 176.139 174.700 0.145 0.000 1.046 191 T CA 1.503 63.784 62.100 0.302 0.000 1.139 191 T CB -0.288 68.739 68.868 0.264 0.000 0.871 191 T HN 0.295 nan 8.240 nan 0.000 0.454 192 D N 0.225 120.769 120.400 0.239 0.000 2.144 192 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 192 D C 1.672 177.982 176.300 0.016 0.000 0.978 192 D CA 0.841 54.925 54.000 0.141 0.000 0.833 192 D CB -0.355 40.626 40.800 0.301 0.000 0.961 192 D HN 0.464 nan 8.370 nan 0.000 0.470 193 Y N 1.759 122.166 120.300 0.177 0.000 2.145 193 Y HA -0.200 4.350 4.550 0.000 0.000 0.286 193 Y C 2.289 178.131 175.900 -0.096 0.000 1.145 193 Y CA 1.894 60.030 58.100 0.061 0.000 1.148 193 Y CB -0.281 38.470 38.460 0.486 0.000 0.981 193 Y HN -0.053 nan 8.280 nan 0.000 0.507 194 A N 0.756 123.577 122.820 0.002 0.000 1.902 194 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 194 A C 2.266 179.563 177.584 -0.478 0.000 1.181 194 A CA 1.886 53.779 52.037 -0.240 0.000 0.623 194 A CB -0.655 18.335 19.000 -0.018 0.000 0.818 194 A HN 0.571 nan 8.150 nan 0.000 0.443 195 R N -0.597 119.544 120.500 -0.599 0.000 2.073 195 R HA -0.074 4.265 4.340 -0.000 0.000 0.234 195 R C 2.017 178.085 176.300 -0.388 0.000 1.134 195 R CA 1.664 57.529 56.100 -0.392 0.000 0.952 195 R CB -0.555 29.638 30.300 -0.177 0.000 0.850 195 R HN 0.564 nan 8.270 nan 0.000 0.433 196 I N 1.206 121.454 120.570 -0.536 0.000 2.163 196 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 196 I C 1.965 177.821 176.117 -0.436 0.000 1.085 196 I CA 1.299 62.174 61.300 -0.708 0.000 1.347 196 I CB -0.310 37.009 38.000 -1.135 0.000 1.044 196 I HN 0.223 nan 8.210 nan 0.000 0.408 197 N N 0.719 119.187 118.700 -0.387 0.000 2.171 197 N HA -0.068 4.671 4.740 -0.000 0.000 0.184 197 N C 1.900 177.330 175.510 -0.133 0.000 1.021 197 N CA 1.470 54.419 53.050 -0.168 0.000 0.854 197 N CB -0.258 38.103 38.487 -0.210 0.000 0.994 197 N HN 0.330 nan 8.380 nan 0.000 0.426 198 A N 1.122 123.860 122.820 -0.136 0.000 1.972 198 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 198 A C 2.344 179.692 177.584 -0.392 0.000 1.169 198 A CA 1.862 53.915 52.037 0.027 0.000 0.635 198 A CB -0.701 18.513 19.000 0.357 0.000 0.810 198 A HN 0.447 nan 8.150 nan 0.000 0.446 199 S N -0.265 114.852 115.700 -0.971 0.000 2.440 199 S HA -0.053 4.417 4.470 -0.000 0.000 0.238 199 S C 1.444 175.729 174.600 -0.525 0.000 1.010 199 S CA 1.482 58.914 58.200 -1.279 0.000 0.972 199 S CB -0.494 62.226 63.200 -0.801 0.000 0.774 199 S HN 0.481 nan 8.310 nan 0.000 0.501 200 L N 0.298 121.296 121.223 -0.376 0.000 2.640 200 L HA 0.401 4.741 4.340 -0.000 0.000 0.230 200 L C 1.744 178.383 176.870 -0.385 0.000 1.123 200 L CA 0.250 54.849 54.840 -0.403 0.000 0.900 200 L CB -0.324 41.547 42.059 -0.314 0.000 1.146 200 L HN 0.542 nan 8.230 nan 0.000 0.484 201 G N 0.861 109.437 108.800 -0.373 0.000 2.136 201 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 201 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 201 G C 0.270 175.079 174.900 -0.152 0.000 0.989 201 G CA -0.427 44.359 45.100 -0.523 0.000 0.682 201 G HN 0.143 nan 8.290 nan 0.000 0.522 202 I N 1.770 122.325 120.570 -0.026 0.000 2.618 202 I HA 0.121 4.290 4.170 -0.000 0.000 0.284 202 I C 1.067 177.287 176.117 0.173 0.000 1.146 202 I CA 0.416 61.763 61.300 0.078 0.000 1.425 202 I CB 0.901 38.968 38.000 0.112 0.000 1.383 202 I HN 0.432 nan 8.210 nan 0.000 0.562 203 N N 3.905 122.732 118.700 0.212 0.000 2.200 203 N HA 0.238 4.978 4.740 -0.000 0.000 0.224 203 N C -0.070 175.645 175.510 0.341 0.000 1.179 203 N CA -0.305 52.925 53.050 0.301 0.000 0.877 203 N CB 1.054 39.732 38.487 0.319 0.000 1.072 203 N HN 0.597 nan 8.380 nan 0.000 0.519 204 G N -1.374 107.614 108.800 0.314 0.000 2.732 204 G HA2 0.499 4.458 3.960 -0.000 0.000 0.296 204 G HA3 0.499 4.458 3.960 -0.000 0.000 0.296 204 G C -1.952 173.133 174.900 0.308 0.000 1.448 204 G CA -0.524 44.832 45.100 0.426 0.000 0.911 204 G HN 0.082 nan 8.290 nan 0.000 0.528 205 T N -0.417 114.382 114.554 0.410 0.000 2.952 205 T HA 0.551 4.901 4.350 -0.000 0.000 0.305 205 T C -1.106 173.839 174.700 0.408 0.000 1.064 205 T CA -0.346 61.973 62.100 0.365 0.000 1.008 205 T CB 1.625 70.722 68.868 0.382 0.000 1.078 205 T HN 0.680 nan 8.240 nan 0.000 0.459 206 V N 7.666 127.789 119.914 0.349 0.000 2.328 206 V HA 0.337 4.457 4.120 -0.000 0.000 0.278 206 V C 1.513 177.843 176.094 0.394 0.000 1.021 206 V CA -0.549 61.961 62.300 0.351 0.000 0.838 206 V CB 0.755 32.754 31.823 0.293 0.000 0.999 206 V HN 0.907 nan 8.190 nan 0.000 0.447 207 I N 1.711 122.457 120.570 0.294 0.000 3.419 207 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 207 I C 0.715 177.080 176.117 0.414 0.000 1.268 207 I CA 0.337 61.771 61.300 0.222 0.000 1.414 207 I CB -0.011 37.811 38.000 -0.297 0.000 1.074 207 I HN 0.679 nan 8.210 nan 0.000 0.457 208 N N 1.295 120.207 118.700 0.354 0.000 2.312 208 N HA 0.184 4.924 4.740 -0.000 0.000 0.296 208 N C -1.005 174.669 175.510 0.273 0.000 1.193 208 N CA -0.735 52.508 53.050 0.321 0.000 0.773 208 N CB 0.691 39.312 38.487 0.222 0.000 1.435 208 N HN -0.055 nan 8.380 nan 0.000 0.484 209 N N 0.238 119.065 118.700 0.211 0.000 2.412 209 N HA -0.059 4.681 4.740 -0.000 0.000 0.258 209 N C 1.609 177.137 175.510 0.031 0.000 1.236 209 N CA -0.016 53.104 53.050 0.118 0.000 0.882 209 N CB 0.787 39.292 38.487 0.029 0.000 1.066 209 N HN 0.501 nan 8.380 nan 0.000 0.465 210 V N 1.072 120.940 119.914 -0.077 0.000 2.469 210 V HA -0.132 3.987 4.120 -0.000 0.000 0.251 210 V C 0.588 176.607 176.094 -0.126 0.000 1.064 210 V CA 1.220 63.449 62.300 -0.119 0.000 1.066 210 V CB -0.564 31.126 31.823 -0.222 0.000 0.667 210 V HN 0.527 nan 8.190 nan 0.000 0.461 211 N N 2.572 121.171 118.700 -0.168 0.000 2.549 211 N HA 0.506 5.246 4.740 -0.000 0.000 0.267 211 N C 0.039 175.526 175.510 -0.037 0.000 1.182 211 N CA 0.773 53.772 53.050 -0.086 0.000 1.019 211 N CB 0.710 39.143 38.487 -0.090 0.000 1.380 211 N HN 0.732 nan 8.380 nan 0.000 0.505 212 A N 1.097 123.907 122.820 -0.017 0.000 2.327 212 A HA 0.197 4.517 4.320 -0.000 0.000 0.283 212 A C 0.171 177.749 177.584 -0.010 0.000 1.127 212 A CA -0.557 51.479 52.037 -0.001 0.000 0.810 212 A CB 0.634 19.644 19.000 0.017 0.000 1.066 212 A HN 0.376 nan 8.150 nan 0.000 0.492 213 D N 2.536 122.913 120.400 -0.037 0.000 2.274 213 D HA 0.364 5.003 4.640 -0.000 0.000 0.239 213 D C -1.763 174.486 176.300 -0.085 0.000 1.104 213 D CA -1.845 52.103 54.000 -0.087 0.000 0.840 213 D CB 1.572 42.281 40.800 -0.152 0.000 1.100 213 D HN 0.131 nan 8.370 nan 0.000 0.477 214 P HA -0.059 nan 4.420 nan 0.000 0.222 214 P C 1.122 178.423 177.300 0.001 0.000 1.147 214 P CA 0.708 63.824 63.100 0.027 0.000 0.790 214 P CB 0.282 31.977 31.700 -0.008 0.000 0.780 215 R N -0.054 120.318 120.500 -0.213 0.000 2.200 215 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 215 R C 2.076 178.191 176.300 -0.308 0.000 1.127 215 R CA 1.497 57.406 56.100 -0.318 0.000 0.989 215 R CB -1.181 28.777 30.300 -0.571 0.000 0.869 215 R HN 0.240 nan 8.270 nan 0.000 0.459 216 V N -1.220 118.519 119.914 -0.291 0.000 2.720 216 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 216 V C 1.716 177.805 176.094 -0.009 0.000 1.082 216 V CA 1.597 63.779 62.300 -0.196 0.000 1.101 216 V CB -0.570 31.178 31.823 -0.125 0.000 0.693 216 V HN 0.233 nan 8.190 nan 0.000 0.479 217 L N 1.790 123.062 121.223 0.083 0.000 2.591 217 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 217 L C 1.454 178.391 176.870 0.111 0.000 1.133 217 L CA 0.462 55.344 54.840 0.069 0.000 0.880 217 L CB -0.375 41.706 42.059 0.036 0.000 1.033 217 L HN 0.568 nan 8.230 nan 0.000 0.450 218 S N -1.698 114.174 115.700 0.286 0.000 2.585 218 S HA 0.027 4.497 4.470 -0.000 0.000 0.273 218 S C 0.911 175.576 174.600 0.108 0.000 1.339 218 S CA -0.722 57.664 58.200 0.311 0.000 1.028 218 S CB 1.316 64.683 63.200 0.279 0.000 0.906 218 S HN 0.124 nan 8.310 nan 0.000 0.528 219 D N 0.773 121.222 120.400 0.082 0.000 2.133 219 D HA -0.205 4.434 4.640 -0.000 0.000 0.195 219 D C 1.896 178.144 176.300 -0.087 0.000 0.997 219 D CA 1.765 55.767 54.000 0.004 0.000 0.840 219 D CB -0.160 40.691 40.800 0.085 0.000 0.947 219 D HN 0.836 nan 8.370 nan 0.000 0.452 220 Q N -0.349 119.449 119.800 -0.003 0.000 2.045 220 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 220 Q C 2.165 178.044 176.000 -0.202 0.000 0.991 220 Q CA 1.567 57.329 55.803 -0.069 0.000 0.851 220 Q CB -0.198 28.547 28.738 0.011 0.000 0.911 220 Q HN 0.267 nan 8.270 nan 0.000 0.418 221 F N 0.002 119.856 119.950 -0.160 0.000 2.293 221 F HA -0.033 4.494 4.527 -0.001 0.000 0.297 221 F C 2.006 177.662 175.800 -0.241 0.000 1.089 221 F CA 0.466 58.336 58.000 -0.216 0.000 1.377 221 F CB 0.098 38.916 39.000 -0.303 0.000 1.051 221 F HN 0.072 nan 8.300 nan 0.000 0.511 222 L N -0.460 120.648 121.223 -0.191 0.000 2.131 222 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 222 L C 2.329 178.823 176.870 -0.628 0.000 1.092 222 L CA 1.313 55.904 54.840 -0.415 0.000 0.759 222 L CB -0.643 41.082 42.059 -0.556 0.000 0.903 222 L HN 0.200 nan 8.230 nan 0.000 0.435 223 Q N -0.107 119.287 119.800 -0.678 0.000 2.119 223 Q HA -0.203 4.137 4.340 -0.000 0.000 0.201 223 Q C 2.213 178.085 176.000 -0.213 0.000 0.972 223 Q CA 1.339 56.864 55.803 -0.464 0.000 0.847 223 Q CB 0.023 28.605 28.738 -0.260 0.000 0.903 223 Q HN 0.476 nan 8.270 nan 0.000 0.433 224 K N 0.426 120.722 120.400 -0.173 0.000 2.026 224 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 224 K C 2.006 178.615 176.600 0.015 0.000 1.048 224 K CA 1.112 57.379 56.287 -0.034 0.000 0.929 224 K CB -0.113 32.422 32.500 0.060 0.000 0.713 224 K HN 0.181 nan 8.250 nan 0.000 0.439 225 I N 1.223 121.817 120.570 0.040 0.000 2.315 225 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 225 I C 2.477 178.524 176.117 -0.118 0.000 1.117 225 I CA 0.854 62.162 61.300 0.013 0.000 1.404 225 I CB -0.336 37.697 38.000 0.054 0.000 1.071 225 I HN 0.146 nan 8.210 nan 0.000 0.419 226 A N 0.771 123.517 122.820 -0.123 0.000 1.978 226 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 226 A C 2.541 180.057 177.584 -0.113 0.000 1.170 226 A CA 1.839 53.823 52.037 -0.089 0.000 0.636 226 A CB -0.728 18.256 19.000 -0.027 0.000 0.810 226 A HN 0.433 nan 8.150 nan 0.000 0.448 227 A N -0.222 122.516 122.820 -0.136 0.000 1.898 227 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 227 A C 2.155 179.557 177.584 -0.304 0.000 1.181 227 A CA 1.422 53.367 52.037 -0.153 0.000 0.620 227 A CB -0.543 18.389 19.000 -0.112 0.000 0.819 227 A HN 0.477 nan 8.150 nan 0.000 0.442 228 L N -0.803 120.126 121.223 -0.490 0.000 2.017 228 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 228 L C 3.123 179.389 176.870 -1.005 0.000 1.073 228 L CA 1.082 55.359 54.840 -0.938 0.000 0.745 228 L CB -0.662 40.746 42.059 -1.085 0.000 0.894 228 L HN 0.431 nan 8.230 nan 0.000 0.432 229 A N 0.047 122.560 122.820 -0.512 0.000 1.908 229 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 229 A C 1.907 179.432 177.584 -0.100 0.000 1.181 229 A CA 2.111 54.019 52.037 -0.215 0.000 0.627 229 A CB -0.563 18.407 19.000 -0.050 0.000 0.818 229 A HN 0.379 nan 8.150 nan 0.000 0.445 230 D N 0.075 120.410 120.400 -0.107 0.000 2.117 230 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 230 D C 2.202 178.523 176.300 0.035 0.000 0.987 230 D CA 1.587 55.578 54.000 -0.014 0.000 0.829 230 D CB -0.468 40.324 40.800 -0.013 0.000 0.961 230 D HN 0.446 nan 8.370 nan 0.000 0.460 231 A N 0.266 123.063 122.820 -0.039 0.000 1.930 231 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 231 A C 1.799 179.626 177.584 0.405 0.000 1.175 231 A CA 0.868 52.984 52.037 0.133 0.000 0.627 231 A CB -0.623 18.426 19.000 0.081 0.000 0.815 231 A HN 0.109 nan 8.150 nan 0.000 0.443 232 F N -0.389 119.698 119.950 0.227 0.000 2.416 232 F HA 0.117 4.643 4.527 -0.001 0.000 0.296 232 F C 2.188 178.161 175.800 0.289 0.000 1.099 232 F CA 0.403 58.578 58.000 0.293 0.000 1.427 232 F CB -0.939 38.201 39.000 0.234 0.000 1.079 232 F HN 0.245 nan 8.300 nan 0.000 0.536 233 R N 1.090 121.808 120.500 0.363 0.000 2.096 233 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 233 R C -0.678 175.728 176.300 0.177 0.000 1.139 233 R CA 1.897 58.138 56.100 0.236 0.000 0.952 233 R CB -1.467 28.923 30.300 0.150 0.000 0.854 233 R HN 0.125 nan 8.270 nan 0.000 0.436 234 P HA -0.133 nan 4.420 nan 0.000 0.222 234 P C 0.183 177.376 177.300 -0.178 0.000 1.147 234 P CA 1.308 64.373 63.100 -0.059 0.000 0.790 234 P CB -0.088 31.522 31.700 -0.151 0.000 0.780 235 Y N -0.677 119.734 120.300 0.185 0.000 2.461 235 Y HA 0.358 4.908 4.550 -0.000 0.000 0.277 235 Y C 1.900 177.918 175.900 0.197 0.000 1.182 235 Y CA 0.595 58.815 58.100 0.200 0.000 1.276 235 Y CB -0.498 38.103 38.460 0.234 0.000 1.087 235 Y HN 0.047 nan 8.280 nan 0.000 0.519 236 G N 0.831 109.782 108.800 0.251 0.000 2.148 236 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.254 236 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.254 236 G C 0.007 175.091 174.900 0.307 0.000 0.981 236 G CA 0.050 45.292 45.100 0.237 0.000 0.670 236 G HN 0.331 nan 8.290 nan 0.000 0.528 237 I N 1.114 121.882 120.570 0.330 0.000 2.312 237 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 237 I C 0.714 177.028 176.117 0.329 0.000 1.008 237 I CA -0.583 60.910 61.300 0.321 0.000 1.226 237 I CB 1.132 39.282 38.000 0.249 0.000 1.371 237 I HN -0.053 nan 8.210 nan 0.000 0.468 238 K N 5.245 125.828 120.400 0.305 0.000 2.154 238 K HA 0.431 4.751 4.320 -0.000 0.000 0.264 238 K C -0.352 176.348 176.600 0.167 0.000 1.008 238 K CA -0.807 55.584 56.287 0.175 0.000 0.937 238 K CB 1.168 33.694 32.500 0.044 0.000 1.002 238 K HN 0.363 nan 8.250 nan 0.000 0.469 239 M N 2.582 122.159 119.600 -0.039 0.000 2.233 239 M HA 0.280 4.760 4.480 -0.000 0.000 0.355 239 M C -1.697 174.290 176.300 -0.522 0.000 1.191 239 M CA 0.095 55.386 55.300 -0.015 0.000 1.101 239 M CB 0.443 33.094 32.600 0.085 0.000 1.592 239 M HN 0.410 nan 8.290 nan 0.000 0.461 240 Y N 4.071 124.291 120.300 -0.133 0.000 2.581 240 Y HA 0.758 5.308 4.550 -0.001 0.000 0.345 240 Y C -1.175 174.791 175.900 0.109 0.000 1.036 240 Y CA -0.939 57.029 58.100 -0.221 0.000 1.042 240 Y CB 1.696 40.136 38.460 -0.033 0.000 1.289 240 Y HN 0.585 nan 8.280 nan 0.000 0.471 241 L N 1.128 122.614 121.223 0.438 0.000 2.401 241 L HA 0.544 4.884 4.340 -0.000 0.000 0.266 241 L C -0.544 176.533 176.870 0.346 0.000 0.991 241 L CA -0.894 54.196 54.840 0.416 0.000 0.818 241 L CB 2.334 44.668 42.059 0.459 0.000 1.321 241 L HN 0.554 nan 8.230 nan 0.000 0.413 242 S N 2.720 118.563 115.700 0.238 0.000 2.549 242 S HA 0.509 4.979 4.470 -0.000 0.000 0.279 242 S C -0.270 174.373 174.600 0.071 0.000 1.321 242 S CA -0.420 57.871 58.200 0.152 0.000 1.054 242 S CB 0.619 63.894 63.200 0.125 0.000 0.899 242 S HN 0.409 nan 8.310 nan 0.000 0.497 243 I N 0.587 121.155 120.570 -0.002 0.000 2.693 243 I HA 0.609 4.778 4.170 -0.000 0.000 0.303 243 I C -0.404 175.741 176.117 0.046 0.000 1.025 243 I CA -0.947 60.333 61.300 -0.033 0.000 1.086 243 I CB 1.548 39.388 38.000 -0.266 0.000 1.268 243 I HN 0.493 nan 8.210 nan 0.000 0.440 244 N N 2.934 121.705 118.700 0.119 0.000 2.422 244 N HA 0.284 5.024 4.740 -0.000 0.000 0.266 244 N C 0.178 175.845 175.510 0.262 0.000 1.007 244 N CA -0.531 52.606 53.050 0.145 0.000 0.941 244 N CB 0.659 39.204 38.487 0.096 0.000 1.115 244 N HN 0.711 nan 8.380 nan 0.000 0.492 245 F N 3.373 123.395 119.950 0.120 0.000 2.269 245 F HA 0.019 4.545 4.527 -0.001 0.000 0.301 245 F C 1.324 177.277 175.800 0.254 0.000 1.082 245 F CA 1.080 59.193 58.000 0.188 0.000 1.360 245 F CB 0.153 39.235 39.000 0.137 0.000 1.041 245 F HN 0.590 nan 8.300 nan 0.000 0.512 246 N N -0.231 118.614 118.700 0.243 0.000 2.434 246 N HA -0.030 4.710 4.740 -0.000 0.000 0.196 246 N C 1.694 177.148 175.510 -0.093 0.000 1.183 246 N CA 0.553 53.658 53.050 0.092 0.000 0.849 246 N CB -0.224 38.351 38.487 0.147 0.000 0.992 246 N HN 0.129 nan 8.380 nan 0.000 0.460 247 S N 1.248 116.874 115.700 -0.125 0.000 2.380 247 S HA -0.125 4.344 4.470 -0.000 0.000 0.229 247 S C -0.697 173.392 174.600 -0.852 0.000 1.043 247 S CA 1.244 59.251 58.200 -0.321 0.000 1.038 247 S CB -0.927 62.097 63.200 -0.294 0.000 0.872 247 S HN 0.392 nan 8.310 nan 0.000 0.456 248 P HA -0.085 nan 4.420 nan 0.000 0.216 248 P C 1.289 178.177 177.300 -0.685 0.000 1.150 248 P CA 1.204 63.293 63.100 -1.686 0.000 0.837 248 P CB -0.006 30.933 31.700 -1.269 0.000 0.786 249 R N -0.579 119.686 120.500 -0.392 0.000 2.062 249 R HA 0.103 4.442 4.340 -0.000 0.000 0.226 249 R C 2.370 178.600 176.300 -0.117 0.000 1.125 249 R CA 1.227 57.220 56.100 -0.178 0.000 0.966 249 R CB -1.099 29.151 30.300 -0.083 0.000 0.861 249 R HN 0.099 nan 8.270 nan 0.000 0.433 250 A N 0.778 123.531 122.820 -0.112 0.000 1.978 250 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 250 A C 1.671 179.163 177.584 -0.153 0.000 1.170 250 A CA 1.278 53.249 52.037 -0.111 0.000 0.636 250 A CB -0.546 18.387 19.000 -0.112 0.000 0.810 250 A HN 0.227 nan 8.150 nan 0.000 0.448 251 F N -0.543 119.316 119.950 -0.151 0.000 2.748 251 F HA 0.276 4.803 4.527 0.000 0.000 0.299 251 F C 1.915 177.695 175.800 -0.033 0.000 1.154 251 F CA 0.680 58.653 58.000 -0.046 0.000 1.446 251 F CB -0.165 38.888 39.000 0.088 0.000 1.112 251 F HN 0.378 nan 8.300 nan 0.000 0.584 252 G N 0.226 109.055 108.800 0.048 0.000 2.160 252 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.251 252 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.251 252 G C 0.808 175.735 174.900 0.045 0.000 1.008 252 G CA 0.647 45.761 45.100 0.022 0.000 0.724 252 G HN 0.338 nan 8.290 nan 0.000 0.514 253 D N -1.006 119.424 120.400 0.049 0.000 2.277 253 D HA 0.223 4.863 4.640 -0.000 0.000 0.209 253 D C 1.148 177.451 176.300 0.005 0.000 0.970 253 D CA 1.128 55.176 54.000 0.080 0.000 0.874 253 D CB 0.684 41.642 40.800 0.263 0.000 0.982 253 D HN 0.404 nan 8.370 nan 0.000 0.504 254 V N 1.763 121.617 119.914 -0.100 0.000 2.841 254 V HA 0.126 4.246 4.120 -0.000 0.000 0.310 254 V C -0.123 175.916 176.094 -0.093 0.000 1.090 254 V CA -0.854 61.387 62.300 -0.099 0.000 0.930 254 V CB 2.338 34.066 31.823 -0.159 0.000 1.014 254 V HN -0.081 nan 8.190 nan 0.000 0.425 255 D N 0.193 120.564 120.400 -0.048 0.000 2.328 255 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 255 D C 0.483 176.779 176.300 -0.006 0.000 1.066 255 D CA 0.310 54.297 54.000 -0.021 0.000 0.861 255 D CB 0.606 41.407 40.800 0.000 0.000 0.912 255 D HN 0.538 nan 8.370 nan 0.000 0.521 256 T N -2.089 112.432 114.554 -0.054 0.000 2.816 256 T HA 0.627 4.976 4.350 -0.000 0.000 0.299 256 T C -0.983 173.562 174.700 -0.258 0.000 1.230 256 T CA -0.264 61.789 62.100 -0.077 0.000 1.007 256 T CB 1.502 70.334 68.868 -0.060 0.000 1.289 256 T HN -0.097 nan 8.240 nan 0.000 0.508 257 A N 1.505 123.983 122.820 -0.571 0.000 2.538 257 A HA 0.385 4.705 4.320 -0.000 0.000 0.269 257 A C 0.302 177.432 177.584 -0.756 0.000 1.231 257 A CA -0.084 51.591 52.037 -0.603 0.000 0.948 257 A CB -0.148 18.659 19.000 -0.321 0.000 1.110 257 A HN 0.752 nan 8.150 nan 0.000 0.529 258 D N 1.791 121.656 120.400 -0.892 0.000 2.502 258 D HA 0.014 4.654 4.640 -0.000 0.000 0.249 258 D C -1.154 175.105 176.300 -0.069 0.000 1.188 258 D CA -1.271 52.504 54.000 -0.375 0.000 0.890 258 D CB 1.075 41.791 40.800 -0.139 0.000 1.140 258 D HN 0.178 nan 8.370 nan 0.000 0.505 259 P HA -0.093 nan 4.420 nan 0.000 0.230 259 P C 1.277 178.627 177.300 0.084 0.000 1.158 259 P CA 0.656 63.837 63.100 0.135 0.000 0.769 259 P CB 0.259 32.119 31.700 0.266 0.000 0.807 260 L N -0.923 120.339 121.223 0.065 0.000 2.592 260 L HA 0.166 4.506 4.340 -0.000 0.000 0.227 260 L C 1.150 178.043 176.870 0.038 0.000 1.127 260 L CA 0.103 54.972 54.840 0.047 0.000 0.884 260 L CB -0.529 41.556 42.059 0.042 0.000 1.065 260 L HN -0.044 nan 8.230 nan 0.000 0.457 261 D N 1.902 122.319 120.400 0.028 0.000 2.343 261 D HA 0.064 4.704 4.640 -0.000 0.000 0.255 261 D C -1.498 174.825 176.300 0.039 0.000 1.187 261 D CA -1.685 52.328 54.000 0.021 0.000 0.875 261 D CB 1.892 42.688 40.800 -0.006 0.000 1.136 261 D HN -0.084 nan 8.370 nan 0.000 0.469 262 P HA -0.160 nan 4.420 nan 0.000 0.217 262 P C 1.111 178.450 177.300 0.065 0.000 1.148 262 P CA 1.101 64.231 63.100 0.051 0.000 0.828 262 P CB 0.297 32.020 31.700 0.038 0.000 0.783 263 R N -0.573 119.959 120.500 0.053 0.000 2.092 263 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 263 R C 2.308 178.670 176.300 0.103 0.000 1.119 263 R CA 0.978 57.117 56.100 0.065 0.000 0.970 263 R CB -1.049 29.274 30.300 0.039 0.000 0.864 263 R HN 0.105 nan 8.270 nan 0.000 0.440 264 V N 1.307 121.269 119.914 0.082 0.000 2.307 264 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 264 V C 2.231 178.501 176.094 0.294 0.000 1.045 264 V CA 1.700 64.077 62.300 0.129 0.000 1.024 264 V CB -0.482 31.365 31.823 0.040 0.000 0.651 264 V HN 0.339 nan 8.190 nan 0.000 0.449 265 Q N -0.445 119.483 119.800 0.213 0.000 2.096 265 Q HA -0.318 4.022 4.340 -0.000 0.000 0.204 265 Q C 2.344 178.487 176.000 0.237 0.000 0.982 265 Q CA 2.078 58.018 55.803 0.227 0.000 0.850 265 Q CB -0.235 28.584 28.738 0.135 0.000 0.901 265 Q HN 0.563 nan 8.270 nan 0.000 0.422 266 Q N 0.022 119.925 119.800 0.172 0.000 2.119 266 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 266 Q C 1.466 177.534 176.000 0.113 0.000 0.972 266 Q CA 1.486 57.364 55.803 0.124 0.000 0.847 266 Q CB -0.452 28.333 28.738 0.078 0.000 0.903 266 Q HN 0.504 nan 8.270 nan 0.000 0.433 267 W N -0.626 120.646 121.300 -0.047 0.000 2.335 267 W HA -0.206 4.453 4.660 -0.001 0.000 0.311 267 W C 1.270 177.656 176.519 -0.222 0.000 1.213 267 W CA 1.892 59.118 57.345 -0.199 0.000 1.274 267 W CB -0.529 28.731 29.460 -0.334 0.000 1.148 267 W HN 0.244 nan 8.180 nan 0.000 0.498 268 W N 0.632 122.092 121.300 0.267 0.000 2.402 268 W HA -0.102 4.558 4.660 -0.001 0.000 0.286 268 W C 2.604 179.146 176.519 0.039 0.000 1.221 268 W CA 1.789 59.243 57.345 0.183 0.000 1.257 268 W CB -0.699 28.924 29.460 0.273 0.000 1.120 268 W HN -0.160 nan 8.180 nan 0.000 0.551 269 K N -0.111 120.434 120.400 0.241 0.000 2.026 269 K HA -0.158 4.161 4.320 -0.000 0.000 0.208 269 K C 1.818 178.445 176.600 0.045 0.000 1.048 269 K CA 2.091 58.475 56.287 0.162 0.000 0.929 269 K CB -0.533 32.045 32.500 0.130 0.000 0.713 269 K HN -0.069 nan 8.250 nan 0.000 0.439 270 T N 0.608 115.106 114.554 -0.094 0.000 2.746 270 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 270 T C 1.834 176.343 174.700 -0.318 0.000 1.039 270 T CA 1.490 63.467 62.100 -0.204 0.000 1.142 270 T CB -0.224 68.469 68.868 -0.292 0.000 0.866 270 T HN 0.225 nan 8.240 nan 0.000 0.444 271 R N 1.572 121.769 120.500 -0.504 0.000 2.092 271 R HA 0.151 4.491 4.340 -0.000 0.000 0.231 271 R C 2.365 178.526 176.300 -0.231 0.000 1.119 271 R CA 1.503 57.264 56.100 -0.566 0.000 0.970 271 R CB -0.950 28.773 30.300 -0.961 0.000 0.864 271 R HN 0.350 nan 8.270 nan 0.000 0.440 272 A N 0.223 123.016 122.820 -0.045 0.000 1.902 272 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 272 A C 2.061 179.493 177.584 -0.254 0.000 1.181 272 A CA 1.583 53.606 52.037 -0.023 0.000 0.623 272 A CB -0.508 18.578 19.000 0.144 0.000 0.818 272 A HN 0.508 nan 8.150 nan 0.000 0.443 273 Q N -0.590 119.103 119.800 -0.178 0.000 2.096 273 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 273 Q C 2.211 178.095 176.000 -0.193 0.000 0.982 273 Q CA 1.911 57.613 55.803 -0.169 0.000 0.850 273 Q CB -0.206 28.544 28.738 0.021 0.000 0.901 273 Q HN 0.731 nan 8.270 nan 0.000 0.422 274 K N 0.891 121.177 120.400 -0.189 0.000 2.026 274 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 274 K C 1.972 178.502 176.600 -0.117 0.000 1.048 274 K CA 1.158 57.353 56.287 -0.153 0.000 0.929 274 K CB -0.092 32.316 32.500 -0.154 0.000 0.713 274 K HN 0.140 nan 8.250 nan 0.000 0.439 275 I N 0.216 120.646 120.570 -0.233 0.000 2.163 275 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 275 I C 1.903 177.758 176.117 -0.436 0.000 1.085 275 I CA 1.503 62.562 61.300 -0.402 0.000 1.347 275 I CB -0.340 37.192 38.000 -0.780 0.000 1.044 275 I HN 0.196 nan 8.210 nan 0.000 0.408 276 Y N 0.730 120.764 120.300 -0.443 0.000 2.439 276 Y HA -0.193 4.357 4.550 0.000 0.000 0.292 276 Y C 2.905 178.684 175.900 -0.202 0.000 1.130 276 Y CA 1.282 59.162 58.100 -0.366 0.000 1.254 276 Y CB -0.431 37.612 38.460 -0.695 0.000 1.000 276 Y HN 0.265 nan 8.280 nan 0.000 0.554 277 S N -1.086 114.546 115.700 -0.114 0.000 2.402 277 S HA -0.223 4.246 4.470 -0.000 0.000 0.229 277 S C 1.590 176.059 174.600 -0.218 0.000 1.021 277 S CA 1.238 59.334 58.200 -0.172 0.000 0.974 277 S CB -0.775 62.256 63.200 -0.283 0.000 0.800 277 S HN 0.469 nan 8.310 nan 0.000 0.484 278 Y N 1.152 121.380 120.300 -0.121 0.000 2.397 278 Y HA 0.477 5.027 4.550 0.000 0.000 0.292 278 Y C 0.914 176.755 175.900 -0.097 0.000 1.115 278 Y CA 0.005 58.041 58.100 -0.106 0.000 1.208 278 Y CB 0.251 38.631 38.460 -0.133 0.000 1.046 278 Y HN 0.229 nan 8.280 nan 0.000 0.552 279 I N 0.987 121.565 120.570 0.013 0.000 2.714 279 I HA 0.211 4.381 4.170 -0.000 0.000 0.276 279 I C -2.243 173.865 176.117 -0.016 0.000 1.196 279 I CA -1.613 59.677 61.300 -0.016 0.000 1.068 279 I CB 1.813 39.790 38.000 -0.039 0.000 1.291 279 I HN -0.152 nan 8.210 nan 0.000 0.530 280 P HA -0.109 nan 4.420 nan 0.000 0.226 280 P C 0.416 177.912 177.300 0.328 0.000 1.153 280 P CA 1.145 64.377 63.100 0.219 0.000 0.777 280 P CB 0.004 31.793 31.700 0.148 0.000 0.794 281 D N -2.042 118.488 120.400 0.217 0.000 2.538 281 D HA 0.017 4.657 4.640 -0.000 0.000 0.231 281 D C -0.013 176.376 176.300 0.148 0.000 1.229 281 D CA -1.087 53.043 54.000 0.216 0.000 0.828 281 D CB -1.215 39.670 40.800 0.142 0.000 1.035 281 D HN 0.016 nan 8.370 nan 0.000 0.495 282 F N 1.706 121.567 119.950 -0.148 0.000 2.623 282 F HA 0.326 4.852 4.527 -0.001 0.000 0.383 282 F C 1.647 177.270 175.800 -0.295 0.000 1.077 282 F CA 0.707 58.462 58.000 -0.409 0.000 1.268 282 F CB 1.171 39.596 39.000 -0.957 0.000 1.053 282 F HN 0.041 nan 8.300 nan 0.000 0.571 283 G N 3.212 111.343 108.800 -1.116 0.000 2.394 283 G HA2 0.366 4.326 3.960 -0.000 0.000 0.215 283 G HA3 0.366 4.326 3.960 -0.000 0.000 0.215 283 G C 0.652 174.947 174.900 -1.008 0.000 1.165 283 G CA 0.628 44.936 45.100 -1.320 0.000 0.784 283 G HN 1.434 nan 8.290 nan 0.000 0.535 284 G N -1.514 106.508 108.800 -1.296 0.000 2.278 284 G HA2 0.291 4.251 3.960 -0.000 0.000 0.265 284 G HA3 0.291 4.251 3.960 -0.000 0.000 0.265 284 G C -1.459 173.365 174.900 -0.126 0.000 1.329 284 G CA -0.831 43.939 45.100 -0.549 0.000 1.017 284 G HN 0.243 nan 8.290 nan 0.000 0.472 285 F N -0.154 119.810 119.950 0.023 0.000 2.522 285 F HA 0.818 5.345 4.527 -0.000 0.000 0.324 285 F C 0.177 176.014 175.800 0.063 0.000 1.077 285 F CA -1.407 56.663 58.000 0.117 0.000 0.944 285 F CB 1.820 40.911 39.000 0.151 0.000 1.175 285 F HN 0.476 nan 8.300 nan 0.000 0.468 286 L N 3.043 124.479 121.223 0.355 0.000 2.309 286 L HA 0.806 5.146 4.340 -0.000 0.000 0.282 286 L C -1.062 175.880 176.870 0.120 0.000 1.036 286 L CA -0.578 54.426 54.840 0.274 0.000 0.806 286 L CB 1.520 43.744 42.059 0.276 0.000 1.220 286 L HN 0.330 nan 8.230 nan 0.000 0.429 287 V N 4.870 124.769 119.914 -0.025 0.000 2.482 287 V HA 0.422 4.541 4.120 -0.000 0.000 0.295 287 V C -0.397 175.446 176.094 -0.418 0.000 1.026 287 V CA -0.859 61.271 62.300 -0.284 0.000 0.856 287 V CB 1.372 32.832 31.823 -0.605 0.000 1.001 287 V HN 0.737 nan 8.190 nan 0.000 0.424 288 K N 3.825 124.070 120.400 -0.257 0.000 2.281 288 K HA 0.801 5.121 4.320 -0.000 0.000 0.272 288 K C -0.462 176.011 176.600 -0.212 0.000 1.048 288 K CA -0.185 55.983 56.287 -0.197 0.000 0.898 288 K CB 1.148 33.600 32.500 -0.079 0.000 1.128 288 K HN 0.892 nan 8.250 nan 0.000 0.460 289 A N 3.820 126.476 122.820 -0.274 0.000 2.414 289 A HA 0.413 4.733 4.320 -0.000 0.000 0.306 289 A C -0.823 176.797 177.584 0.060 0.000 1.054 289 A CA -0.588 51.336 52.037 -0.189 0.000 0.724 289 A CB 0.856 19.563 19.000 -0.488 0.000 1.267 289 A HN 0.907 nan 8.150 nan 0.000 0.418 290 D N 0.131 120.582 120.400 0.086 0.000 2.689 290 D HA -0.132 4.508 4.640 -0.000 0.000 0.237 290 D C -0.101 176.233 176.300 0.057 0.000 1.148 290 D CA 1.983 56.064 54.000 0.136 0.000 0.656 290 D CB -0.926 40.056 40.800 0.302 0.000 1.050 290 D HN 0.747 nan 8.370 nan 0.000 0.426 291 S N -0.543 115.157 115.700 0.000 0.000 2.614 291 S HA 0.345 4.815 4.470 -0.000 0.000 0.275 291 S C -0.064 174.509 174.600 -0.046 0.000 1.161 291 S CA -0.411 57.734 58.200 -0.092 0.000 0.969 291 S CB 1.214 64.391 63.200 -0.039 0.000 1.059 291 S HN 0.185 nan 8.310 nan 0.000 0.482 292 E N 2.749 122.891 120.200 -0.096 0.000 2.440 292 E HA -0.249 4.101 4.350 -0.000 0.000 0.246 292 E C 0.877 177.520 176.600 0.072 0.000 1.165 292 E CA 0.772 57.219 56.400 0.078 0.000 0.726 292 E CB -1.837 28.025 29.700 0.271 0.000 1.271 292 E HN 1.617 nan 8.360 nan 0.000 0.397 293 G N -0.618 108.183 108.800 0.001 0.000 2.179 293 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 293 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 293 G C 0.172 175.085 174.900 0.021 0.000 0.977 293 G CA 0.418 45.523 45.100 0.007 0.000 0.641 293 G HN 0.216 nan 8.290 nan 0.000 0.533 294 Q N 1.226 121.043 119.800 0.027 0.000 2.314 294 Q HA 0.383 4.723 4.340 -0.000 0.000 0.258 294 Q C -1.968 174.059 176.000 0.044 0.000 0.954 294 Q CA -1.578 54.246 55.803 0.034 0.000 0.890 294 Q CB 1.122 29.872 28.738 0.021 0.000 1.210 294 Q HN 0.351 nan 8.270 nan 0.000 0.410 295 P HA 0.340 nan 4.420 nan 0.000 0.272 295 P C -0.266 177.115 177.300 0.135 0.000 1.240 295 P CA -0.062 63.118 63.100 0.132 0.000 0.791 295 P CB 0.823 32.654 31.700 0.219 0.000 0.978 296 G N -0.221 108.648 108.800 0.116 0.000 2.495 296 G HA2 0.365 4.324 3.960 -0.000 0.000 0.294 296 G HA3 0.365 4.324 3.960 -0.000 0.000 0.294 296 G C -2.660 172.116 174.900 -0.207 0.000 1.397 296 G CA -0.772 44.190 45.100 -0.230 0.000 0.790 296 G HN 0.105 nan 8.290 nan 0.000 0.486 297 P HA -0.118 nan 4.420 nan 0.000 0.216 297 P C 1.442 178.837 177.300 0.157 0.000 1.150 297 P CA 1.284 64.360 63.100 -0.040 0.000 0.837 297 P CB 0.202 31.840 31.700 -0.104 0.000 0.786 298 Q N -0.613 119.263 119.800 0.126 0.000 2.226 298 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 298 Q C 2.394 178.384 176.000 -0.017 0.000 0.975 298 Q CA 1.364 57.210 55.803 0.072 0.000 0.866 298 Q CB -0.932 27.852 28.738 0.077 0.000 0.915 298 Q HN 0.298 nan 8.270 nan 0.000 0.440 299 G N -0.321 108.432 108.800 -0.079 0.000 2.498 299 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.219 299 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.219 299 G C 0.511 175.037 174.900 -0.624 0.000 1.119 299 G CA 0.555 45.451 45.100 -0.340 0.000 0.766 299 G HN 0.362 nan 8.290 nan 0.000 0.552 300 Y N -0.475 119.868 120.300 0.072 0.000 2.636 300 Y HA 0.399 4.948 4.550 -0.001 0.000 0.260 300 Y C 1.776 177.704 175.900 0.047 0.000 1.177 300 Y CA -0.650 57.494 58.100 0.073 0.000 1.209 300 Y CB 0.401 38.936 38.460 0.125 0.000 1.166 300 Y HN 0.168 nan 8.280 nan 0.000 0.531 301 G N 0.949 109.798 108.800 0.083 0.000 2.179 301 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 301 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 301 G C 0.206 175.144 174.900 0.063 0.000 1.010 301 G CA -0.117 45.012 45.100 0.049 0.000 0.736 301 G HN 0.122 nan 8.290 nan 0.000 0.513 302 R N 0.194 120.754 120.500 0.101 0.000 2.782 302 R HA 0.614 4.954 4.340 -0.000 0.000 0.258 302 R C 0.216 176.547 176.300 0.051 0.000 1.055 302 R CA -0.335 55.810 56.100 0.074 0.000 1.065 302 R CB 0.695 31.064 30.300 0.115 0.000 1.172 302 R HN 0.481 nan 8.270 nan 0.000 0.510 303 D N -1.890 118.511 120.400 0.002 0.000 2.437 303 D HA 0.143 4.782 4.640 -0.000 0.000 0.259 303 D C 0.771 177.079 176.300 0.013 0.000 1.118 303 D CA -0.365 53.624 54.000 -0.018 0.000 1.017 303 D CB 0.485 41.223 40.800 -0.104 0.000 1.120 303 D HN 0.453 nan 8.370 nan 0.000 0.541 304 H N -0.611 118.339 119.070 -0.199 0.000 2.423 304 H HA -0.057 4.499 4.556 -0.000 0.000 0.297 304 H C 1.739 176.786 175.328 -0.469 0.000 1.075 304 H CA 0.895 56.803 56.048 -0.234 0.000 1.342 304 H CB 0.304 30.079 29.762 0.023 0.000 1.395 304 H HN 0.566 nan 8.280 nan 0.000 0.530 305 A N 1.185 123.745 122.820 -0.434 0.000 1.929 305 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 305 A C 2.121 179.471 177.584 -0.391 0.000 1.176 305 A CA 1.181 52.773 52.037 -0.741 0.000 0.628 305 A CB -0.204 18.187 19.000 -1.015 0.000 0.816 305 A HN 0.425 nan 8.150 nan 0.000 0.444 306 E N -0.470 119.575 120.200 -0.258 0.000 2.085 306 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 306 E C 2.088 178.641 176.600 -0.079 0.000 0.994 306 E CA 0.933 57.256 56.400 -0.128 0.000 0.801 306 E CB -0.341 29.323 29.700 -0.060 0.000 0.743 306 E HN 0.607 nan 8.360 nan 0.000 0.453 307 G N 1.014 109.727 108.800 -0.144 0.000 2.394 307 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 307 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 307 G C 1.697 176.539 174.900 -0.097 0.000 1.176 307 G CA 0.730 45.823 45.100 -0.012 0.000 0.786 307 G HN 0.340 nan 8.290 nan 0.000 0.533 308 A N 1.401 123.850 122.820 -0.617 0.000 1.902 308 A HA -0.085 4.234 4.320 -0.000 0.000 0.217 308 A C 2.248 179.821 177.584 -0.018 0.000 1.181 308 A CA 1.896 53.718 52.037 -0.359 0.000 0.623 308 A CB -0.440 18.284 19.000 -0.461 0.000 0.818 308 A HN 0.336 nan 8.150 nan 0.000 0.443 309 N N -0.588 118.079 118.700 -0.056 0.000 2.244 309 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 309 N C 1.658 177.183 175.510 0.025 0.000 1.016 309 N CA 1.316 54.366 53.050 -0.001 0.000 0.866 309 N CB -0.449 38.014 38.487 -0.041 0.000 0.980 309 N HN 0.508 nan 8.380 nan 0.000 0.430 310 M N 0.800 120.417 119.600 0.028 0.000 2.086 310 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 310 M C 1.711 178.037 176.300 0.043 0.000 1.067 310 M CA 1.248 56.577 55.300 0.048 0.000 1.116 310 M CB -0.517 32.121 32.600 0.064 0.000 1.348 310 M HN 0.061 nan 8.290 nan 0.000 0.407 311 L N 0.240 121.475 121.223 0.020 0.000 2.046 311 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 311 L C 2.728 179.663 176.870 0.108 0.000 1.077 311 L CA 1.248 56.111 54.840 0.039 0.000 0.747 311 L CB -1.128 40.998 42.059 0.113 0.000 0.896 311 L HN 0.364 nan 8.230 nan 0.000 0.432 312 A N 0.063 122.940 122.820 0.095 0.000 1.972 312 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 312 A C 2.513 180.130 177.584 0.055 0.000 1.169 312 A CA 1.637 53.714 52.037 0.067 0.000 0.635 312 A CB -0.587 18.455 19.000 0.070 0.000 0.810 312 A HN 0.406 nan 8.150 nan 0.000 0.446 313 A N -0.253 122.604 122.820 0.062 0.000 1.969 313 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 313 A C 2.429 180.063 177.584 0.083 0.000 1.169 313 A CA 1.738 53.809 52.037 0.057 0.000 0.635 313 A CB -0.808 18.225 19.000 0.054 0.000 0.810 313 A HN 0.977 nan 8.150 nan 0.000 0.445 314 A N -0.230 122.671 122.820 0.135 0.000 1.930 314 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 314 A C 2.077 179.786 177.584 0.209 0.000 1.175 314 A CA 1.439 53.597 52.037 0.203 0.000 0.627 314 A CB -0.469 18.717 19.000 0.311 0.000 0.815 314 A HN 0.468 nan 8.150 nan 0.000 0.443 315 L N -1.353 119.948 121.223 0.130 0.000 2.270 315 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 315 L C 2.409 179.319 176.870 0.068 0.000 1.104 315 L CA 1.120 56.027 54.840 0.111 0.000 0.804 315 L CB -0.292 41.752 42.059 -0.025 0.000 0.937 315 L HN 0.286 nan 8.230 nan 0.000 0.450 316 K N 1.276 121.686 120.400 0.017 0.000 2.044 316 K HA -0.160 4.159 4.320 -0.000 0.000 0.210 316 K C -0.618 175.906 176.600 -0.127 0.000 1.049 316 K CA 1.680 57.943 56.287 -0.040 0.000 0.927 316 K CB -1.160 31.323 32.500 -0.028 0.000 0.713 316 K HN 0.135 nan 8.250 nan 0.000 0.443 317 P HA -0.067 nan 4.420 nan 0.000 0.225 317 P C 0.249 177.138 177.300 -0.685 0.000 1.148 317 P CA 1.058 63.867 63.100 -0.484 0.000 0.779 317 P CB 0.077 31.371 31.700 -0.676 0.000 0.780 318 F N -2.061 117.680 119.950 -0.347 0.000 2.678 318 F HA 0.424 4.951 4.527 0.000 0.000 0.305 318 F C 1.678 177.246 175.800 -0.387 0.000 1.090 318 F CA 0.316 57.962 58.000 -0.590 0.000 1.272 318 F CB -0.401 37.704 39.000 -1.491 0.000 1.060 318 F HN -0.060 nan 8.300 nan 0.000 0.576 319 G N 0.642 109.395 108.800 -0.078 0.000 2.143 319 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.248 319 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.248 319 G C 0.632 175.555 174.900 0.038 0.000 0.991 319 G CA -0.158 44.938 45.100 -0.008 0.000 0.689 319 G HN 0.733 nan 8.290 nan 0.000 0.522 320 G N -1.373 107.457 108.800 0.050 0.000 2.507 320 G HA2 0.682 4.642 3.960 -0.000 0.000 0.271 320 G HA3 0.682 4.642 3.960 -0.000 0.000 0.271 320 G C -0.262 174.603 174.900 -0.059 0.000 1.189 320 G CA 0.106 45.238 45.100 0.053 0.000 0.859 320 G HN 0.952 nan 8.290 nan 0.000 0.542 321 V N 0.186 120.008 119.914 -0.153 0.000 2.914 321 V HA 0.482 4.602 4.120 -0.000 0.000 0.314 321 V C -0.336 175.585 176.094 -0.287 0.000 1.084 321 V CA -0.694 61.483 62.300 -0.206 0.000 0.963 321 V CB 2.280 33.953 31.823 -0.250 0.000 1.025 321 V HN 0.526 nan 8.190 nan 0.000 0.432 322 V N 3.429 123.256 119.914 -0.144 0.000 2.370 322 V HA 0.442 4.562 4.120 -0.000 0.000 0.283 322 V C -0.890 175.247 176.094 0.072 0.000 1.023 322 V CA -0.398 61.904 62.300 0.004 0.000 0.857 322 V CB 1.184 33.126 31.823 0.198 0.000 0.985 322 V HN 0.621 nan 8.190 nan 0.000 0.443 323 F N 4.306 124.327 119.950 0.118 0.000 2.334 323 F HA 0.295 4.821 4.527 -0.001 0.000 0.365 323 F C 0.133 175.994 175.800 0.101 0.000 1.124 323 F CA -1.299 56.727 58.000 0.044 0.000 1.166 323 F CB 0.488 39.464 39.000 -0.040 0.000 1.355 323 F HN 0.545 nan 8.300 nan 0.000 0.532 324 W N 6.240 127.597 121.300 0.094 0.000 2.332 324 W HA 0.384 5.044 4.660 0.000 0.000 0.306 324 W C -0.226 176.270 176.519 -0.039 0.000 1.149 324 W CA -0.905 56.457 57.345 0.028 0.000 1.271 324 W CB 0.763 30.215 29.460 -0.014 0.000 1.243 324 W HN 0.464 nan 8.180 nan 0.000 0.459 325 R N 3.676 124.045 120.500 -0.218 0.000 2.438 325 R HA 0.268 4.608 4.340 -0.000 0.000 0.287 325 R C 0.898 177.182 176.300 -0.027 0.000 1.077 325 R CA 0.093 56.136 56.100 -0.094 0.000 1.034 325 R CB 0.963 31.238 30.300 -0.042 0.000 0.993 325 R HN 0.549 nan 8.270 nan 0.000 0.459 326 A N 3.396 126.144 122.820 -0.120 0.000 2.307 326 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 326 A C 0.240 177.913 177.584 0.148 0.000 1.228 326 A CA -0.182 51.717 52.037 -0.230 0.000 0.857 326 A CB -0.056 18.608 19.000 -0.561 0.000 0.897 326 A HN 0.664 nan 8.150 nan 0.000 0.495 327 F N 2.136 122.101 119.950 0.025 0.000 2.651 327 F HA 0.408 4.935 4.527 -0.000 0.000 0.347 327 F C 0.062 175.982 175.800 0.199 0.000 1.284 327 F CA -0.746 57.300 58.000 0.075 0.000 1.175 327 F CB 0.093 39.099 39.000 0.010 0.000 1.542 327 F HN 0.089 nan 8.300 nan 0.000 0.661 328 V N 3.573 123.513 119.914 0.043 0.000 2.841 328 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 328 V C -1.783 174.295 176.094 -0.027 0.000 1.090 328 V CA -0.992 61.281 62.300 -0.045 0.000 0.930 328 V CB 1.639 33.486 31.823 0.039 0.000 1.014 328 V HN 0.518 nan 8.190 nan 0.000 0.425 329 Y N 0.915 121.026 120.300 -0.315 0.000 2.282 329 Y HA 0.625 5.174 4.550 -0.001 0.000 0.317 329 Y C -0.852 174.953 175.900 -0.158 0.000 1.236 329 Y CA -1.111 56.844 58.100 -0.241 0.000 1.134 329 Y CB -0.181 38.183 38.460 -0.161 0.000 1.267 329 Y HN 0.869 nan 8.280 nan 0.000 0.410 330 H N 5.067 124.081 119.070 -0.093 0.000 2.562 330 H HA 0.248 4.803 4.556 -0.001 0.000 0.352 330 H C -1.690 173.594 175.328 -0.074 0.000 1.125 330 H CA -2.087 53.879 56.048 -0.138 0.000 1.379 330 H CB 1.501 31.201 29.762 -0.103 0.000 1.464 330 H HN 0.494 nan 8.280 nan 0.000 0.563 331 P HA -0.108 nan 4.420 nan 0.000 0.229 331 P C 0.405 177.717 177.300 0.021 0.000 1.160 331 P CA 0.841 63.928 63.100 -0.022 0.000 0.777 331 P CB 0.271 31.897 31.700 -0.123 0.000 0.814 332 D N -0.037 120.381 120.400 0.030 0.000 2.342 332 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 332 D C 0.916 177.255 176.300 0.065 0.000 1.101 332 D CA -0.468 53.550 54.000 0.030 0.000 0.837 332 D CB -0.878 39.915 40.800 -0.011 0.000 0.938 332 D HN 0.263 nan 8.370 nan 0.000 0.508 333 I N -3.135 117.497 120.570 0.104 0.000 2.834 333 I HA 0.299 4.469 4.170 -0.000 0.000 0.305 333 I C 1.346 177.549 176.117 0.142 0.000 1.008 333 I CA -0.916 60.453 61.300 0.116 0.000 1.273 333 I CB 1.569 39.646 38.000 0.129 0.000 1.432 333 I HN -0.257 nan 8.210 nan 0.000 0.557 334 E N 0.934 121.211 120.200 0.128 0.000 2.072 334 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 334 E C -0.228 176.496 176.600 0.207 0.000 0.985 334 E CA 1.212 57.690 56.400 0.131 0.000 0.801 334 E CB 0.330 30.088 29.700 0.095 0.000 0.750 334 E HN 0.786 nan 8.360 nan 0.000 0.452 335 D N -1.139 119.401 120.400 0.233 0.000 2.602 335 D HA 0.096 4.735 4.640 -0.000 0.000 0.245 335 D C 0.305 176.771 176.300 0.275 0.000 1.325 335 D CA -0.381 53.786 54.000 0.279 0.000 0.952 335 D CB 0.998 41.944 40.800 0.242 0.000 1.317 335 D HN -0.041 nan 8.370 nan 0.000 0.577 336 R N 3.025 123.730 120.500 0.342 0.000 2.139 336 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 336 R C 1.480 177.904 176.300 0.208 0.000 1.145 336 R CA 1.219 57.466 56.100 0.244 0.000 0.976 336 R CB -0.306 30.103 30.300 0.182 0.000 0.866 336 R HN 0.477 nan 8.270 nan 0.000 0.449 337 F N 1.360 121.356 119.950 0.078 0.000 2.192 337 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 337 F C 1.903 177.718 175.800 0.025 0.000 1.079 337 F CA 1.698 59.725 58.000 0.046 0.000 1.303 337 F CB 0.036 39.049 39.000 0.021 0.000 1.024 337 F HN -0.023 nan 8.300 nan 0.000 0.494 338 R N -0.431 120.247 120.500 0.297 0.000 2.275 338 R HA 0.049 4.389 4.340 -0.000 0.000 0.199 338 R C 2.500 178.879 176.300 0.132 0.000 0.989 338 R CA 0.511 56.727 56.100 0.193 0.000 1.016 338 R CB -0.771 29.636 30.300 0.178 0.000 0.918 338 R HN 0.435 nan 8.270 nan 0.000 0.473 339 G N 1.461 110.326 108.800 0.109 0.000 2.514 339 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 339 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 339 G C 1.538 176.480 174.900 0.071 0.000 1.198 339 G CA 1.012 46.161 45.100 0.082 0.000 0.780 339 G HN 0.389 nan 8.290 nan 0.000 0.565 340 A N -0.332 122.542 122.820 0.089 0.000 1.902 340 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 340 A C 2.254 179.975 177.584 0.228 0.000 1.181 340 A CA 1.801 53.947 52.037 0.181 0.000 0.623 340 A CB -0.727 18.340 19.000 0.113 0.000 0.818 340 A HN 0.504 nan 8.150 nan 0.000 0.443 341 Y N 1.050 121.356 120.300 0.011 0.000 2.145 341 Y HA -0.230 4.320 4.550 -0.001 0.000 0.286 341 Y C 1.824 177.730 175.900 0.010 0.000 1.145 341 Y CA 2.183 60.279 58.100 -0.008 0.000 1.148 341 Y CB -0.132 38.277 38.460 -0.084 0.000 0.981 341 Y HN 0.340 nan 8.280 nan 0.000 0.507 342 D N -0.149 120.372 120.400 0.203 0.000 2.219 342 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 342 D C 1.982 178.244 176.300 -0.063 0.000 0.970 342 D CA 1.141 55.190 54.000 0.081 0.000 0.851 342 D CB -0.092 40.767 40.800 0.098 0.000 0.943 342 D HN 0.504 nan 8.370 nan 0.000 0.488 343 E N -0.558 119.577 120.200 -0.109 0.000 2.072 343 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 343 E C 1.734 178.050 176.600 -0.473 0.000 0.982 343 E CA 0.644 56.837 56.400 -0.345 0.000 0.803 343 E CB -0.086 29.310 29.700 -0.506 0.000 0.755 343 E HN 0.363 nan 8.360 nan 0.000 0.453 344 F N -0.294 119.603 119.950 -0.088 0.000 2.622 344 F HA 0.098 4.625 4.527 -0.000 0.000 0.288 344 F C 2.286 178.019 175.800 -0.113 0.000 1.120 344 F CA 0.099 58.073 58.000 -0.043 0.000 1.423 344 F CB -0.124 38.870 39.000 -0.010 0.000 1.127 344 F HN -0.108 nan 8.300 nan 0.000 0.588 345 M N 0.585 120.103 119.600 -0.137 0.000 2.106 345 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 345 M C -0.615 175.596 176.300 -0.148 0.000 1.068 345 M CA 1.888 57.025 55.300 -0.271 0.000 1.100 345 M CB -2.265 29.964 32.600 -0.618 0.000 1.351 345 M HN -0.046 nan 8.290 nan 0.000 0.404 346 P HA -0.033 nan 4.420 nan 0.000 0.228 346 P C 1.237 178.482 177.300 -0.093 0.000 1.151 346 P CA 0.971 64.010 63.100 -0.103 0.000 0.770 346 P CB -0.150 31.486 31.700 -0.107 0.000 0.786 347 L N -1.641 119.546 121.223 -0.060 0.000 2.667 347 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 347 L C 0.619 177.503 176.870 0.022 0.000 1.138 347 L CA -0.342 54.447 54.840 -0.084 0.000 0.921 347 L CB -0.418 41.575 42.059 -0.111 0.000 1.180 347 L HN -0.127 nan 8.230 nan 0.000 0.487 348 D N 1.051 121.478 120.400 0.045 0.000 2.450 348 D HA 0.232 4.872 4.640 -0.000 0.000 0.247 348 D C 1.302 177.617 176.300 0.025 0.000 1.162 348 D CA 1.510 55.545 54.000 0.058 0.000 0.879 348 D CB 0.892 41.669 40.800 -0.039 0.000 1.163 348 D HN 0.303 nan 8.370 nan 0.000 0.472 349 G N 4.259 113.106 108.800 0.078 0.000 2.199 349 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.254 349 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.254 349 G C 1.123 176.024 174.900 0.001 0.000 0.982 349 G CA 0.326 45.449 45.100 0.038 0.000 0.632 349 G HN 0.546 nan 8.290 nan 0.000 0.529 350 K N -0.395 119.958 120.400 -0.077 0.000 2.404 350 K HA 0.299 4.618 4.320 -0.000 0.000 0.194 350 K C 0.317 176.735 176.600 -0.302 0.000 1.023 350 K CA 0.038 56.188 56.287 -0.229 0.000 1.094 350 K CB 0.261 32.544 32.500 -0.361 0.000 0.841 350 K HN 0.396 nan 8.250 nan 0.000 0.523 351 F N 1.367 121.296 119.950 -0.034 0.000 2.385 351 F HA 0.324 4.851 4.527 -0.000 0.000 0.336 351 F C 1.033 176.826 175.800 -0.011 0.000 1.100 351 F CA -1.097 56.880 58.000 -0.038 0.000 1.116 351 F CB 0.640 39.623 39.000 -0.030 0.000 1.166 351 F HN -0.122 nan 8.300 nan 0.000 0.511 352 A N 1.484 124.405 122.820 0.169 0.000 2.448 352 A HA 0.035 4.355 4.320 -0.000 0.000 0.239 352 A C 1.146 178.814 177.584 0.139 0.000 1.080 352 A CA -0.153 51.952 52.037 0.114 0.000 0.779 352 A CB 0.006 19.052 19.000 0.077 0.000 1.026 352 A HN 0.851 nan 8.150 nan 0.000 0.499 353 D N -0.130 120.343 120.400 0.122 0.000 2.312 353 D HA -0.123 4.516 4.640 -0.000 0.000 0.211 353 D C 1.101 177.484 176.300 0.139 0.000 0.964 353 D CA 1.425 55.526 54.000 0.169 0.000 0.877 353 D CB 0.028 40.940 40.800 0.186 0.000 0.924 353 D HN 0.636 nan 8.370 nan 0.000 0.515 354 N N 0.063 118.795 118.700 0.053 0.000 2.322 354 N HA -0.018 4.722 4.740 -0.000 0.000 0.216 354 N C -0.602 174.920 175.510 0.020 0.000 1.144 354 N CA -0.076 52.958 53.050 -0.026 0.000 0.830 354 N CB 0.257 38.715 38.487 -0.049 0.000 1.034 354 N HN -0.082 nan 8.380 nan 0.000 0.484 355 V N 1.453 121.415 119.914 0.080 0.000 2.483 355 V HA 0.477 4.597 4.120 -0.000 0.000 0.295 355 V C 0.072 176.212 176.094 0.076 0.000 1.035 355 V CA -0.758 61.599 62.300 0.095 0.000 0.896 355 V CB 1.746 33.649 31.823 0.133 0.000 0.986 355 V HN 0.091 nan 8.190 nan 0.000 0.447 356 I N 4.901 125.531 120.570 0.100 0.000 2.466 356 I HA 0.356 4.525 4.170 -0.000 0.000 0.289 356 I C -0.893 175.234 176.117 0.016 0.000 1.026 356 I CA -0.840 60.511 61.300 0.085 0.000 1.078 356 I CB 2.024 40.138 38.000 0.190 0.000 1.249 356 I HN 0.370 nan 8.210 nan 0.000 0.429 357 L N 6.113 127.254 121.223 -0.137 0.000 2.315 357 L HA 0.233 4.572 4.340 -0.000 0.000 0.283 357 L C 0.108 176.890 176.870 -0.147 0.000 1.089 357 L CA 0.393 55.099 54.840 -0.224 0.000 0.833 357 L CB 0.766 42.565 42.059 -0.434 0.000 1.170 357 L HN 0.614 nan 8.230 nan 0.000 0.442 358 Q N 5.261 124.997 119.800 -0.107 0.000 2.331 358 Q HA 0.535 4.875 4.340 -0.000 0.000 0.257 358 Q C -1.326 174.598 176.000 -0.126 0.000 0.957 358 Q CA -0.244 55.497 55.803 -0.103 0.000 0.923 358 Q CB 0.703 29.391 28.738 -0.082 0.000 1.212 358 Q HN 0.692 nan 8.270 nan 0.000 0.443 359 I N 4.070 124.568 120.570 -0.120 0.000 2.436 359 I HA 0.345 4.514 4.170 -0.000 0.000 0.289 359 I C -0.194 175.900 176.117 -0.040 0.000 1.010 359 I CA -0.934 60.248 61.300 -0.197 0.000 1.098 359 I CB 1.825 39.480 38.000 -0.576 0.000 1.266 359 I HN 0.487 nan 8.210 nan 0.000 0.434 360 K N 4.579 124.948 120.400 -0.051 0.000 2.336 360 K HA 0.034 4.354 4.320 -0.000 0.000 0.262 360 K C 1.201 177.896 176.600 0.158 0.000 0.992 360 K CA -0.219 56.078 56.287 0.017 0.000 0.927 360 K CB 0.487 32.837 32.500 -0.250 0.000 0.956 360 K HN 0.685 nan 8.250 nan 0.000 0.495 361 N N 0.708 119.564 118.700 0.260 0.000 2.137 361 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 361 N C 0.643 176.354 175.510 0.334 0.000 1.017 361 N CA 1.257 54.517 53.050 0.351 0.000 0.859 361 N CB -0.144 38.625 38.487 0.470 0.000 1.002 361 N HN 0.535 nan 8.380 nan 0.000 0.428 362 G N -0.120 108.784 108.800 0.173 0.000 2.630 362 G HA2 0.466 4.426 3.960 -0.000 0.000 0.296 362 G HA3 0.466 4.426 3.960 -0.000 0.000 0.296 362 G C -2.306 172.521 174.900 -0.122 0.000 1.285 362 G CA -1.186 43.923 45.100 0.015 0.000 0.958 362 G HN -0.050 nan 8.290 nan 0.000 0.479 363 P HA 0.116 nan 4.420 nan 0.000 0.245 363 P C 0.938 178.093 177.300 -0.243 0.000 1.206 363 P CA 0.207 63.086 63.100 -0.369 0.000 0.781 363 P CB 0.594 31.803 31.700 -0.819 0.000 0.994 364 I N 0.344 120.819 120.570 -0.158 0.000 4.994 364 I HA 0.207 4.376 4.170 -0.000 0.000 0.231 364 I C 0.358 176.467 176.117 -0.012 0.000 0.970 364 I CA 1.052 62.325 61.300 -0.046 0.000 1.658 364 I CB -0.922 37.137 38.000 0.098 0.000 1.476 364 I HN -0.066 nan 8.210 nan 0.000 0.462 365 D N -0.631 119.737 120.400 -0.054 0.000 3.171 365 D HA 0.146 4.786 4.640 -0.000 0.000 0.240 365 D C -0.761 175.492 176.300 -0.078 0.000 1.432 365 D CA -0.402 53.517 54.000 -0.135 0.000 0.892 365 D CB -0.297 40.525 40.800 0.037 0.000 1.499 365 D HN 0.138 nan 8.370 nan 0.000 0.597 366 F N -0.197 119.776 119.950 0.038 0.000 3.084 366 F HA -0.277 4.250 4.527 -0.000 0.000 0.286 366 F C 0.975 176.782 175.800 0.011 0.000 0.855 366 F CA 0.547 58.614 58.000 0.112 0.000 1.091 366 F CB -1.853 37.290 39.000 0.239 0.000 1.177 366 F HN 0.384 nan 8.300 nan 0.000 0.542 367 Q N 0.384 120.199 119.800 0.025 0.000 2.454 367 Q HA 0.097 4.437 4.340 -0.000 0.000 0.247 367 Q C -0.944 175.071 176.000 0.024 0.000 1.028 367 Q CA -1.065 54.666 55.803 -0.120 0.000 0.910 367 Q CB 0.144 28.851 28.738 -0.051 0.000 1.276 367 Q HN 0.019 nan 8.270 nan 0.000 0.489 368 P HA -0.132 nan 4.420 nan 0.000 0.217 368 P C 0.023 177.394 177.300 0.118 0.000 1.148 368 P CA 1.492 64.502 63.100 -0.150 0.000 0.828 368 P CB 0.307 31.703 31.700 -0.506 0.000 0.783 369 R N -0.286 120.280 120.500 0.111 0.000 2.574 369 R HA 0.347 4.686 4.340 -0.000 0.000 0.288 369 R C -1.114 175.354 176.300 0.280 0.000 1.004 369 R CA -0.465 55.738 56.100 0.172 0.000 0.895 369 R CB 1.611 31.989 30.300 0.130 0.000 1.191 369 R HN -0.115 nan 8.270 nan 0.000 0.444 370 E N 4.194 124.480 120.200 0.143 0.000 2.317 370 E HA 0.410 4.760 4.350 -0.000 0.000 0.270 370 E C -2.492 173.982 176.600 -0.209 0.000 0.885 370 E CA -2.267 54.061 56.400 -0.120 0.000 0.760 370 E CB 2.636 32.272 29.700 -0.106 0.000 1.227 370 E HN 0.461 nan 8.360 nan 0.000 0.434 371 P HA 0.043 nan 4.420 nan 0.000 0.272 371 P C -0.401 176.956 177.300 0.095 0.000 1.240 371 P CA -0.310 62.694 63.100 -0.159 0.000 0.791 371 P CB 0.211 31.784 31.700 -0.212 0.000 0.978 372 F N -0.968 119.162 119.950 0.300 0.000 2.506 372 F HA 0.250 4.777 4.527 -0.001 0.000 0.351 372 F C 0.375 176.400 175.800 0.375 0.000 1.136 372 F CA -0.639 57.570 58.000 0.348 0.000 1.298 372 F CB -0.546 38.677 39.000 0.373 0.000 1.145 372 F HN 0.090 nan 8.300 nan 0.000 0.593 373 S N 2.881 118.845 115.700 0.440 0.000 2.515 373 S HA 0.269 4.738 4.470 -0.000 0.000 0.285 373 S C 1.251 175.946 174.600 0.159 0.000 1.265 373 S CA -0.113 58.152 58.200 0.109 0.000 1.079 373 S CB 0.775 63.922 63.200 -0.089 0.000 0.877 373 S HN 0.933 nan 8.310 nan 0.000 0.493 374 A N 4.411 127.106 122.820 -0.209 0.000 1.978 374 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 374 A C 1.940 179.612 177.584 0.147 0.000 1.170 374 A CA 1.151 53.006 52.037 -0.304 0.000 0.636 374 A CB -0.562 17.866 19.000 -0.953 0.000 0.810 374 A HN 0.832 nan 8.150 nan 0.000 0.448 375 L N -1.827 119.450 121.223 0.091 0.000 2.089 375 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 375 L C 2.359 179.242 176.870 0.022 0.000 1.079 375 L CA 1.408 56.250 54.840 0.004 0.000 0.758 375 L CB -0.602 41.326 42.059 -0.218 0.000 0.891 375 L HN 0.405 nan 8.230 nan 0.000 0.433 376 F N -0.241 119.836 119.950 0.213 0.000 2.216 376 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 376 F C 2.409 178.406 175.800 0.329 0.000 1.085 376 F CA 1.174 59.305 58.000 0.218 0.000 1.326 376 F CB -0.685 38.433 39.000 0.197 0.000 1.027 376 F HN 0.024 nan 8.300 nan 0.000 0.497 377 A N -0.951 122.213 122.820 0.573 0.000 2.308 377 A HA 0.408 4.728 4.320 -0.000 0.000 0.217 377 A C 2.268 180.113 177.584 0.435 0.000 1.216 377 A CA 0.877 53.251 52.037 0.561 0.000 0.864 377 A CB -0.871 18.471 19.000 0.570 0.000 0.902 377 A HN 0.356 nan 8.150 nan 0.000 0.499 378 G N -1.429 107.520 108.800 0.248 0.000 2.724 378 G HA2 0.262 4.222 3.960 -0.000 0.000 0.205 378 G HA3 0.262 4.222 3.960 -0.000 0.000 0.205 378 G C 0.593 175.376 174.900 -0.195 0.000 1.112 378 G CA -0.170 44.980 45.100 0.084 0.000 0.793 378 G HN 0.264 nan 8.290 nan 0.000 0.526 379 M N 2.827 122.273 119.600 -0.256 0.000 2.135 379 M HA 0.242 4.722 4.480 -0.000 0.000 0.345 379 M C 0.921 176.831 176.300 -0.650 0.000 1.340 379 M CA -0.101 55.008 55.300 -0.319 0.000 1.162 379 M CB 0.912 33.408 32.600 -0.173 0.000 1.570 379 M HN 0.214 nan 8.290 nan 0.000 0.454 380 S N 2.641 117.950 115.700 -0.652 0.000 2.540 380 S HA 0.231 4.701 4.470 -0.000 0.000 0.218 380 S C 1.016 175.469 174.600 -0.244 0.000 0.977 380 S CA -0.325 57.396 58.200 -0.797 0.000 0.918 380 S CB 0.406 63.247 63.200 -0.597 0.000 0.806 380 S HN 0.760 nan 8.310 nan 0.000 0.496 381 R N 0.794 121.209 120.500 -0.141 0.000 2.642 381 R HA 0.328 4.667 4.340 -0.000 0.000 0.435 381 R C -0.986 175.329 176.300 0.025 0.000 1.046 381 R CA -0.035 56.049 56.100 -0.027 0.000 1.103 381 R CB 1.208 31.497 30.300 -0.017 0.000 1.425 381 R HN 0.202 nan 8.270 nan 0.000 0.586 382 T N 0.461 115.021 114.554 0.010 0.000 2.952 382 T HA 0.278 4.628 4.350 -0.000 0.000 0.305 382 T C -0.641 174.075 174.700 0.026 0.000 1.064 382 T CA -0.884 61.242 62.100 0.044 0.000 1.008 382 T CB 1.822 70.708 68.868 0.030 0.000 1.078 382 T HN 0.030 nan 8.240 nan 0.000 0.459 383 N N 2.858 121.588 118.700 0.051 0.000 2.492 383 N HA 0.363 5.103 4.740 -0.000 0.000 0.260 383 N C -0.455 175.068 175.510 0.022 0.000 1.215 383 N CA 0.300 53.395 53.050 0.075 0.000 0.923 383 N CB 0.448 39.023 38.487 0.145 0.000 1.092 383 N HN 0.566 nan 8.380 nan 0.000 0.448 384 M N 1.522 121.158 119.600 0.060 0.000 2.619 384 M HA 0.542 5.022 4.480 -0.000 0.000 0.297 384 M C -0.381 175.961 176.300 0.071 0.000 1.229 384 M CA -0.720 54.611 55.300 0.053 0.000 0.860 384 M CB 2.370 35.048 32.600 0.131 0.000 1.741 384 M HN 0.448 nan 8.290 nan 0.000 0.462 385 M N 1.076 120.706 119.600 0.050 0.000 2.520 385 M HA 0.684 5.164 4.480 -0.000 0.000 0.283 385 M C -1.578 174.738 176.300 0.028 0.000 1.237 385 M CA -0.956 54.337 55.300 -0.010 0.000 0.885 385 M CB 2.449 34.976 32.600 -0.121 0.000 1.727 385 M HN 0.688 nan 8.290 nan 0.000 0.468 386 M N 2.146 121.702 119.600 -0.073 0.000 2.274 386 M HA 0.430 4.910 4.480 -0.000 0.000 0.344 386 M C -0.947 175.226 176.300 -0.211 0.000 1.161 386 M CA 0.493 55.707 55.300 -0.144 0.000 1.126 386 M CB 1.151 33.455 32.600 -0.493 0.000 1.522 386 M HN 0.805 nan 8.290 nan 0.000 0.461 387 E N 3.837 123.934 120.200 -0.170 0.000 2.182 387 E HA 0.386 4.736 4.350 -0.000 0.000 0.258 387 E C -1.860 174.740 176.600 -0.000 0.000 0.879 387 E CA -0.273 56.080 56.400 -0.079 0.000 0.754 387 E CB 0.807 30.546 29.700 0.063 0.000 1.162 387 E HN 0.719 nan 8.360 nan 0.000 0.419 388 F N 1.965 121.884 119.950 -0.051 0.000 2.470 388 F HA 0.330 4.857 4.527 -0.001 0.000 0.329 388 F C 0.460 175.924 175.800 -0.560 0.000 1.072 388 F CA -0.968 56.918 58.000 -0.190 0.000 0.989 388 F CB 1.989 40.704 39.000 -0.474 0.000 1.193 388 F HN 0.350 nan 8.300 nan 0.000 0.481 389 Q N 1.817 121.293 119.800 -0.541 0.000 2.307 389 Q HA 0.380 4.720 4.340 -0.000 0.000 0.262 389 Q C -0.416 175.373 176.000 -0.353 0.000 0.961 389 Q CA -0.368 54.921 55.803 -0.857 0.000 0.882 389 Q CB 1.484 29.343 28.738 -1.464 0.000 1.264 389 Q HN 0.696 nan 8.270 nan 0.000 0.446 390 I N 1.312 121.643 120.570 -0.399 0.000 2.947 390 I HA 0.007 4.177 4.170 -0.000 0.000 0.263 390 I C 1.093 177.089 176.117 -0.202 0.000 1.130 390 I CA 0.385 61.556 61.300 -0.215 0.000 1.448 390 I CB 0.107 37.941 38.000 -0.277 0.000 1.222 390 I HN 0.568 nan 8.210 nan 0.000 0.453 391 T N 2.003 116.385 114.554 -0.286 0.000 2.933 391 T HA -0.080 4.270 4.350 -0.000 0.000 0.306 391 T C 0.440 175.125 174.700 -0.025 0.000 1.045 391 T CA 0.299 62.314 62.100 -0.141 0.000 1.143 391 T CB 0.165 68.870 68.868 -0.272 0.000 1.003 391 T HN 0.247 nan 8.240 nan 0.000 0.540 392 Q N 3.360 123.232 119.800 0.120 0.000 3.122 392 Q HA 0.113 4.452 4.340 -0.000 0.000 0.360 392 Q C 1.424 177.465 176.000 0.068 0.000 1.300 392 Q CA -0.220 55.646 55.803 0.105 0.000 0.982 392 Q CB 0.273 29.065 28.738 0.089 0.000 1.534 392 Q HN 0.835 nan 8.270 nan 0.000 0.474 393 E N 0.176 120.422 120.200 0.075 0.000 2.097 393 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 393 E C 0.257 176.668 176.600 -0.316 0.000 1.000 393 E CA 1.468 57.814 56.400 -0.089 0.000 0.804 393 E CB 0.238 29.756 29.700 -0.304 0.000 0.740 393 E HN 0.533 nan 8.360 nan 0.000 0.454 394 Y N -2.217 118.064 120.300 -0.031 0.000 2.481 394 Y HA 0.226 4.776 4.550 0.000 0.000 0.247 394 Y C 0.231 175.943 175.900 -0.314 0.000 1.151 394 Y CA -0.228 57.671 58.100 -0.335 0.000 1.238 394 Y CB 0.649 38.830 38.460 -0.465 0.000 1.179 394 Y HN 0.006 nan 8.280 nan 0.000 0.524 395 F N -0.550 119.395 119.950 -0.008 0.000 2.735 395 F HA 0.500 5.026 4.527 -0.001 0.000 0.308 395 F C 1.226 176.902 175.800 -0.207 0.000 1.112 395 F CA -0.069 57.869 58.000 -0.102 0.000 1.235 395 F CB 1.039 39.978 39.000 -0.102 0.000 1.027 395 F HN -0.005 nan 8.300 nan 0.000 0.528 396 G N -0.235 108.466 108.800 -0.165 0.000 2.167 396 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.194 396 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.194 396 G C 0.351 175.177 174.900 -0.124 0.000 1.027 396 G CA -0.362 44.407 45.100 -0.551 0.000 0.717 396 G HN 0.075 nan 8.290 nan 0.000 0.501 397 F N -1.789 117.911 119.950 -0.417 0.000 2.192 397 F HA -0.306 4.221 4.527 -0.001 0.000 0.317 397 F C 2.176 177.889 175.800 -0.146 0.000 1.454 397 F CA 1.572 59.134 58.000 -0.730 0.000 0.932 397 F CB -1.853 36.790 39.000 -0.594 0.000 4.108 397 F HN 1.195 nan 8.300 nan 0.000 0.138 398 A N -0.585 122.417 122.820 0.303 0.000 2.387 398 A HA 0.444 4.764 4.320 -0.000 0.000 0.234 398 A C 1.227 179.071 177.584 0.434 0.000 1.253 398 A CA 1.108 53.363 52.037 0.364 0.000 0.894 398 A CB -0.698 18.511 19.000 0.348 0.000 0.963 398 A HN 0.924 nan 8.150 nan 0.000 0.508 399 T N -3.918 110.901 114.554 0.441 0.000 2.985 399 T HA 0.227 4.577 4.350 -0.000 0.000 0.254 399 T C 0.462 175.474 174.700 0.520 0.000 1.021 399 T CA 0.041 62.418 62.100 0.462 0.000 0.957 399 T CB -0.321 68.780 68.868 0.388 0.000 1.047 399 T HN 0.537 nan 8.240 nan 0.000 0.511 400 H N 0.655 119.856 119.070 0.219 0.000 2.458 400 H HA 0.478 5.033 4.556 -0.001 0.000 0.330 400 H C -0.817 174.400 175.328 -0.185 0.000 1.111 400 H CA -1.020 55.084 56.048 0.094 0.000 1.245 400 H CB 2.212 32.046 29.762 0.120 0.000 1.456 400 H HN 0.107 nan 8.280 nan 0.000 0.488 401 L N 2.855 124.007 121.223 -0.118 0.000 2.315 401 L HA 0.379 4.719 4.340 -0.000 0.000 0.283 401 L C -0.435 176.318 176.870 -0.195 0.000 1.089 401 L CA -0.234 54.369 54.840 -0.395 0.000 0.833 401 L CB 0.045 41.887 42.059 -0.362 0.000 1.170 401 L HN 0.754 nan 8.230 nan 0.000 0.442 402 A N 4.867 127.562 122.820 -0.208 0.000 3.005 402 A HA 0.163 4.483 4.320 -0.000 0.000 0.308 402 A C -1.146 176.283 177.584 -0.258 0.000 1.173 402 A CA -0.487 51.426 52.037 -0.207 0.000 0.796 402 A CB 0.025 18.914 19.000 -0.186 0.000 1.325 402 A HN 0.609 nan 8.150 nan 0.000 0.467 403 Y N 1.858 121.973 120.300 -0.307 0.000 2.632 403 Y HA 0.139 4.688 4.550 -0.001 0.000 0.329 403 Y C 0.900 176.503 175.900 -0.494 0.000 1.174 403 Y CA 0.355 58.260 58.100 -0.325 0.000 1.469 403 Y CB 0.747 39.077 38.460 -0.217 0.000 1.242 403 Y HN 0.636 nan 8.280 nan 0.000 0.540 404 Q N 4.486 123.744 119.800 -0.902 0.000 2.360 404 Q HA 0.095 4.435 4.340 -0.000 0.000 0.202 404 Q C 2.097 177.059 176.000 -1.729 0.000 0.915 404 Q CA 0.673 55.691 55.803 -1.307 0.000 0.943 404 Q CB 0.146 28.116 28.738 -1.279 0.000 1.064 404 Q HN 1.108 nan 8.270 nan 0.000 0.511 405 G N 2.635 110.339 108.800 -1.826 0.000 2.513 405 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.219 405 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.219 405 G C -1.019 173.390 174.900 -0.818 0.000 1.160 405 G CA 0.613 44.956 45.100 -1.263 0.000 0.767 405 G HN 0.360 nan 8.290 nan 0.000 0.571 406 P HA -0.018 nan 4.420 nan 0.000 0.218 406 P C 2.006 179.090 177.300 -0.359 0.000 1.149 406 P CA 0.437 63.297 63.100 -0.399 0.000 0.817 406 P CB -0.062 31.461 31.700 -0.296 0.000 0.785 407 L N -2.011 118.894 121.223 -0.530 0.000 2.056 407 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 407 L C 2.005 178.718 176.870 -0.262 0.000 1.078 407 L CA 1.667 56.284 54.840 -0.372 0.000 0.749 407 L CB -0.529 41.250 42.059 -0.466 0.000 0.901 407 L HN -0.148 nan 8.230 nan 0.000 0.433 408 F N 0.412 120.051 119.950 -0.518 0.000 2.113 408 F HA -0.183 4.344 4.527 -0.001 0.000 0.297 408 F C 2.612 178.244 175.800 -0.280 0.000 1.103 408 F CA 1.439 58.999 58.000 -0.734 0.000 1.248 408 F CB -1.187 37.291 39.000 -0.870 0.000 0.999 408 F HN 0.252 nan 8.300 nan 0.000 0.475 409 E N 0.538 120.706 120.200 -0.055 0.000 2.051 409 E HA -0.271 4.079 4.350 -0.000 0.000 0.192 409 E C 2.235 178.841 176.600 0.010 0.000 0.991 409 E CA 1.439 57.830 56.400 -0.015 0.000 0.799 409 E CB -0.231 29.439 29.700 -0.049 0.000 0.748 409 E HN 0.529 nan 8.360 nan 0.000 0.449 410 E N -0.021 120.173 120.200 -0.011 0.000 2.070 410 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 410 E C 2.146 178.795 176.600 0.081 0.000 1.004 410 E CA 1.614 58.031 56.400 0.028 0.000 0.805 410 E CB -0.126 29.584 29.700 0.017 0.000 0.744 410 E HN 0.116 nan 8.360 nan 0.000 0.451 411 S N 0.164 115.943 115.700 0.132 0.000 2.348 411 S HA -0.115 4.355 4.470 -0.000 0.000 0.221 411 S C 1.947 176.608 174.600 0.102 0.000 1.033 411 S CA 1.174 59.494 58.200 0.200 0.000 1.010 411 S CB -0.229 63.220 63.200 0.415 0.000 0.891 411 S HN 0.273 nan 8.310 nan 0.000 0.442 412 L N 0.769 122.063 121.223 0.119 0.000 2.131 412 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 412 L C 1.941 178.793 176.870 -0.031 0.000 1.092 412 L CA 1.176 56.032 54.840 0.025 0.000 0.759 412 L CB -0.322 41.793 42.059 0.093 0.000 0.903 412 L HN 0.195 nan 8.230 nan 0.000 0.435 413 K N -0.925 119.474 120.400 -0.001 0.000 2.404 413 K HA 0.102 4.421 4.320 -0.000 0.000 0.194 413 K C 0.306 176.880 176.600 -0.044 0.000 1.023 413 K CA -0.069 56.206 56.287 -0.019 0.000 1.094 413 K CB 0.177 32.679 32.500 0.003 0.000 0.841 413 K HN 0.122 nan 8.250 nan 0.000 0.523 414 T N 2.226 116.750 114.554 -0.050 0.000 2.853 414 T HA -0.013 4.337 4.350 -0.000 0.000 0.298 414 T C -0.053 174.533 174.700 -0.190 0.000 0.978 414 T CA 0.141 62.207 62.100 -0.057 0.000 1.152 414 T CB 0.701 69.567 68.868 -0.003 0.000 0.914 414 T HN 0.111 nan 8.240 nan 0.000 0.539 415 E N 2.281 122.378 120.200 -0.171 0.000 2.223 415 E HA 0.175 4.525 4.350 -0.000 0.000 0.282 415 E C 1.204 177.580 176.600 -0.374 0.000 1.046 415 E CA -0.258 55.952 56.400 -0.317 0.000 0.857 415 E CB 0.650 30.129 29.700 -0.368 0.000 1.055 415 E HN 0.660 nan 8.360 nan 0.000 0.409 416 T N 1.238 115.529 114.554 -0.437 0.000 3.037 416 T HA -0.000 4.349 4.350 -0.000 0.000 0.251 416 T C 0.326 175.020 174.700 -0.010 0.000 1.079 416 T CA 0.482 62.400 62.100 -0.304 0.000 1.067 416 T CB -0.317 68.323 68.868 -0.379 0.000 0.948 416 T HN 0.702 nan 8.240 nan 0.000 0.496 417 H N 0.020 119.043 119.070 -0.079 0.000 2.921 417 H HA -0.201 4.354 4.556 -0.000 0.000 0.281 417 H C 1.636 176.964 175.328 -0.001 0.000 1.165 417 H CA 0.529 56.551 56.048 -0.043 0.000 1.151 417 H CB -1.851 27.885 29.762 -0.043 0.000 1.311 417 H HN 0.652 nan 8.280 nan 0.000 0.361 418 A N 0.865 123.729 122.820 0.072 0.000 1.902 418 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 418 A C 1.793 179.429 177.584 0.087 0.000 1.181 418 A CA 1.777 53.894 52.037 0.132 0.000 0.623 418 A CB 0.043 19.130 19.000 0.146 0.000 0.818 418 A HN 0.380 nan 8.150 nan 0.000 0.443 419 R N -1.623 118.863 120.500 -0.023 0.000 2.684 419 R HA 0.439 4.779 4.340 -0.000 0.000 0.252 419 R C 0.047 176.323 176.300 -0.040 0.000 1.628 419 R CA 0.449 56.533 56.100 -0.027 0.000 1.622 419 R CB -0.244 30.002 30.300 -0.089 0.000 1.418 419 R HN 1.104 nan 8.270 nan 0.000 0.697 420 G N 1.366 110.170 108.800 0.007 0.000 2.796 420 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.571 420 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.571 420 G C -0.779 174.114 174.900 -0.011 0.000 1.370 420 G CA -0.658 44.450 45.100 0.012 0.000 0.856 420 G HN 0.488 nan 8.290 nan 0.000 0.538 421 E N 0.204 120.404 120.200 0.000 0.000 2.415 421 E HA 0.385 4.735 4.350 -0.000 0.000 0.262 421 E C 1.315 177.856 176.600 -0.097 0.000 1.038 421 E CA 1.026 57.393 56.400 -0.056 0.000 0.921 421 E CB 0.486 30.177 29.700 -0.014 0.000 0.950 421 E HN 2.231 nan 8.360 nan 0.000 0.438 422 G N 2.041 110.756 108.800 -0.142 0.000 2.157 422 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.239 422 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.239 422 G C 0.423 175.221 174.900 -0.170 0.000 0.982 422 G CA 0.125 45.146 45.100 -0.131 0.000 0.650 422 G HN 0.408 nan 8.290 nan 0.000 0.527 423 S N 2.162 117.734 115.700 -0.213 0.000 3.697 423 S HA 0.425 4.895 4.470 -0.000 0.000 0.207 423 S C 1.038 175.471 174.600 -0.278 0.000 1.459 423 S CA 0.487 58.539 58.200 -0.246 0.000 1.122 423 S CB -0.096 62.968 63.200 -0.225 0.000 1.311 423 S HN 1.020 nan 8.310 nan 0.000 0.487 424 T N -0.606 113.797 114.554 -0.251 0.000 2.860 424 T HA 0.319 4.669 4.350 -0.000 0.000 0.299 424 T C 1.640 176.155 174.700 -0.310 0.000 1.045 424 T CA -0.817 61.126 62.100 -0.262 0.000 1.071 424 T CB 0.484 69.242 68.868 -0.183 0.000 0.985 424 T HN 0.076 nan 8.240 nan 0.000 0.537 425 I N 1.791 122.154 120.570 -0.345 0.000 2.151 425 I HA -0.148 4.021 4.170 -0.000 0.000 0.243 425 I C 2.790 178.643 176.117 -0.440 0.000 1.080 425 I CA 2.113 63.164 61.300 -0.416 0.000 1.339 425 I CB -2.014 35.734 38.000 -0.419 0.000 1.039 425 I HN 0.984 nan 8.210 nan 0.000 0.409 426 G N 1.081 109.630 108.800 -0.419 0.000 2.446 426 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 426 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 426 G C 1.477 175.836 174.900 -0.903 0.000 1.168 426 G CA 0.777 45.413 45.100 -0.774 0.000 0.771 426 G HN 0.343 nan 8.290 nan 0.000 0.551 427 N N 0.479 118.906 118.700 -0.454 0.000 2.244 427 N HA -0.005 4.735 4.740 -0.000 0.000 0.183 427 N C 2.203 177.549 175.510 -0.273 0.000 1.016 427 N CA 0.570 53.454 53.050 -0.277 0.000 0.866 427 N CB -0.186 38.200 38.487 -0.169 0.000 0.980 427 N HN 0.380 nan 8.380 nan 0.000 0.430 428 I N 0.736 121.131 120.570 -0.292 0.000 2.202 428 I HA -0.220 3.949 4.170 -0.000 0.000 0.242 428 I C 1.990 178.017 176.117 -0.150 0.000 1.091 428 I CA 0.774 61.949 61.300 -0.210 0.000 1.368 428 I CB -0.210 37.706 38.000 -0.139 0.000 1.058 428 I HN 0.049 nan 8.210 nan 0.000 0.410 429 L N 0.310 121.380 121.223 -0.255 0.000 2.042 429 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 429 L C 2.527 179.300 176.870 -0.162 0.000 1.076 429 L CA 1.552 56.263 54.840 -0.216 0.000 0.749 429 L CB -0.647 41.219 42.059 -0.321 0.000 0.893 429 L HN 0.321 nan 8.230 nan 0.000 0.432 430 E N -0.124 119.948 120.200 -0.213 0.000 2.265 430 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 430 E C 1.506 178.066 176.600 -0.067 0.000 0.996 430 E CA 0.863 57.201 56.400 -0.103 0.000 0.832 430 E CB 0.038 29.722 29.700 -0.028 0.000 0.756 430 E HN 0.540 nan 8.360 nan 0.000 0.491 431 G N 0.409 109.169 108.800 -0.066 0.000 2.179 431 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.220 431 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.220 431 G C 0.877 175.752 174.900 -0.042 0.000 0.990 431 G CA 0.374 45.458 45.100 -0.026 0.000 0.646 431 G HN 0.255 nan 8.290 nan 0.000 0.517 432 K N 0.069 120.422 120.400 -0.079 0.000 2.217 432 K HA 0.228 4.548 4.320 -0.000 0.000 0.202 432 K C 2.401 178.923 176.600 -0.130 0.000 1.051 432 K CA 1.254 57.489 56.287 -0.087 0.000 0.952 432 K CB 0.061 32.510 32.500 -0.085 0.000 0.736 432 K HN 0.344 nan 8.250 nan 0.000 0.453 433 V N 0.305 120.085 119.914 -0.223 0.000 2.302 433 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 433 V C 1.534 177.390 176.094 -0.397 0.000 1.036 433 V CA 1.629 63.680 62.300 -0.414 0.000 1.020 433 V CB -0.296 31.113 31.823 -0.689 0.000 0.657 433 V HN 0.142 nan 8.190 nan 0.000 0.453 434 F N -0.396 119.548 119.950 -0.010 0.000 2.721 434 F HA 0.369 4.896 4.527 -0.001 0.000 0.301 434 F C 0.718 176.516 175.800 -0.003 0.000 1.096 434 F CA -0.657 57.344 58.000 0.002 0.000 1.308 434 F CB 0.014 39.024 39.000 0.016 0.000 1.086 434 F HN -0.027 nan 8.300 nan 0.000 0.587 435 K N 1.565 122.035 120.400 0.115 0.000 3.851 435 K HA -0.142 4.178 4.320 -0.000 0.000 0.284 435 K C -0.102 176.531 176.600 0.055 0.000 1.048 435 K CA 0.825 57.147 56.287 0.058 0.000 0.862 435 K CB -2.523 30.006 32.500 0.048 0.000 1.439 435 K HN 0.488 nan 8.250 nan 0.000 0.446 436 T N -2.975 111.605 114.554 0.045 0.000 2.930 436 T HA 0.738 5.088 4.350 -0.000 0.000 0.290 436 T C 0.931 175.603 174.700 -0.047 0.000 1.052 436 T CA -1.070 61.037 62.100 0.011 0.000 1.017 436 T CB 2.481 71.385 68.868 0.060 0.000 1.137 436 T HN 0.298 nan 8.240 nan 0.000 0.511 437 R N -1.202 119.212 120.500 -0.144 0.000 2.369 437 R HA 0.178 4.518 4.340 -0.000 0.000 0.210 437 R C -0.130 176.061 176.300 -0.183 0.000 0.881 437 R CA -0.132 55.848 56.100 -0.201 0.000 1.031 437 R CB 0.298 30.427 30.300 -0.286 0.000 1.184 437 R HN 0.703 nan 8.270 nan 0.000 0.581 438 H N 1.133 120.256 119.070 0.087 0.000 2.761 438 H HA 0.181 4.737 4.556 -0.000 0.000 0.284 438 H C -0.036 175.381 175.328 0.148 0.000 1.105 438 H CA -0.158 55.979 56.048 0.148 0.000 1.352 438 H CB 0.852 30.725 29.762 0.185 0.000 1.423 438 H HN 0.055 nan 8.280 nan 0.000 0.464 439 T N 0.884 115.587 114.554 0.249 0.000 2.901 439 T HA 0.854 5.204 4.350 -0.000 0.000 0.293 439 T C 0.250 175.031 174.700 0.136 0.000 1.084 439 T CA -0.670 61.508 62.100 0.129 0.000 1.008 439 T CB 2.585 71.470 68.868 0.028 0.000 1.170 439 T HN 0.695 nan 8.240 nan 0.000 0.509 440 G N 0.000 108.818 108.800 0.029 0.000 2.356 440 G HA2 0.514 4.474 3.960 -0.000 0.000 0.294 440 G HA3 0.514 4.474 3.960 -0.000 0.000 0.294 440 G C -2.061 172.777 174.900 -0.103 0.000 1.423 440 G CA -0.839 44.249 45.100 -0.020 0.000 0.806 440 G HN 0.985 nan 8.290 nan 0.000 0.527 441 M N 0.287 119.819 119.600 -0.114 0.000 2.371 441 M HA 0.699 5.179 4.480 -0.000 0.000 0.287 441 M C -1.219 175.094 176.300 0.022 0.000 1.149 441 M CA -0.744 54.498 55.300 -0.096 0.000 0.929 441 M CB 2.053 34.576 32.600 -0.128 0.000 1.683 441 M HN 1.335 nan 8.290 nan 0.000 0.470 442 A N 2.523 125.347 122.820 0.007 0.000 2.365 442 A HA 0.928 5.248 4.320 -0.000 0.000 0.318 442 A C -0.507 176.950 177.584 -0.212 0.000 1.091 442 A CA -0.523 51.484 52.037 -0.050 0.000 0.763 442 A CB 1.629 20.499 19.000 -0.216 0.000 1.248 442 A HN 0.925 nan 8.150 nan 0.000 0.442 443 G N 0.385 108.765 108.800 -0.700 0.000 2.626 443 G HA2 0.517 4.477 3.960 -0.000 0.000 0.304 443 G HA3 0.517 4.477 3.960 -0.000 0.000 0.304 443 G C -0.946 173.393 174.900 -0.936 0.000 1.385 443 G CA -0.355 43.920 45.100 -1.375 0.000 0.957 443 G HN 0.780 nan 8.290 nan 0.000 0.504 444 V N 4.662 124.089 119.914 -0.811 0.000 2.352 444 V HA 0.099 4.219 4.120 -0.000 0.000 0.253 444 V C 1.421 176.990 176.094 -0.874 0.000 1.083 444 V CA -0.050 61.714 62.300 -0.893 0.000 0.993 444 V CB -0.153 30.997 31.823 -1.120 0.000 1.111 444 V HN 0.774 nan 8.190 nan 0.000 0.490 445 I N 1.073 121.113 120.570 -0.883 0.000 3.081 445 I HA 0.242 4.412 4.170 -0.000 0.000 0.274 445 I C 0.905 176.632 176.117 -0.649 0.000 1.178 445 I CA 0.016 60.813 61.300 -0.840 0.000 1.460 445 I CB -0.213 37.047 38.000 -1.233 0.000 1.137 445 I HN 0.530 nan 8.210 nan 0.000 0.443 446 N N 1.576 119.889 118.700 -0.645 0.000 2.707 446 N HA -0.123 4.617 4.740 -0.000 0.000 0.253 446 N C -2.175 173.205 175.510 -0.218 0.000 0.998 446 N CA 0.959 53.774 53.050 -0.392 0.000 0.751 446 N CB -1.535 36.688 38.487 -0.439 0.000 0.920 446 N HN 0.498 nan 8.380 nan 0.000 0.539 447 P HA 0.460 nan 4.420 nan 0.000 0.277 447 P C 0.650 177.984 177.300 0.056 0.000 1.276 447 P CA -0.034 63.105 63.100 0.065 0.000 0.788 447 P CB 1.102 32.958 31.700 0.259 0.000 1.114 448 G N -1.601 107.248 108.800 0.082 0.000 2.782 448 G HA2 0.405 4.365 3.960 -0.000 0.000 0.304 448 G HA3 0.405 4.365 3.960 -0.000 0.000 0.304 448 G C 0.467 175.313 174.900 -0.089 0.000 1.315 448 G CA 0.014 45.091 45.100 -0.039 0.000 0.791 448 G HN 0.442 nan 8.290 nan 0.000 0.519 449 T N -1.191 113.286 114.554 -0.129 0.000 3.113 449 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 449 T C 0.324 174.938 174.700 -0.144 0.000 1.143 449 T CA 0.530 62.524 62.100 -0.176 0.000 1.090 449 T CB -0.269 68.517 68.868 -0.137 0.000 0.922 449 T HN 0.247 nan 8.240 nan 0.000 0.521 450 D N 1.913 122.272 120.400 -0.067 0.000 2.515 450 D HA 0.082 4.722 4.640 -0.000 0.000 0.232 450 D C 1.266 177.520 176.300 -0.077 0.000 1.157 450 D CA -0.074 53.912 54.000 -0.024 0.000 0.871 450 D CB 0.575 41.408 40.800 0.056 0.000 1.200 450 D HN 0.052 nan 8.370 nan 0.000 0.466 451 R N 2.309 122.790 120.500 -0.033 0.000 2.105 451 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 451 R C 1.032 177.365 176.300 0.055 0.000 1.135 451 R CA 1.511 57.603 56.100 -0.014 0.000 0.967 451 R CB -0.347 29.964 30.300 0.018 0.000 0.861 451 R HN 0.521 nan 8.270 nan 0.000 0.442 452 N N -1.238 117.531 118.700 0.115 0.000 2.314 452 N HA -0.049 4.691 4.740 -0.000 0.000 0.200 452 N C -0.162 175.600 175.510 0.421 0.000 1.135 452 N CA 0.583 53.783 53.050 0.250 0.000 0.835 452 N CB -0.343 38.266 38.487 0.202 0.000 0.989 452 N HN 0.387 nan 8.380 nan 0.000 0.478 453 W N -0.981 120.379 121.300 0.100 0.000 0.884 453 W HA -0.331 4.331 4.660 0.003 0.000 0.220 453 W C 1.500 178.135 176.519 0.195 0.000 0.927 453 W CA 2.095 59.527 57.345 0.145 0.000 0.352 453 W CB -1.970 27.588 29.460 0.163 0.000 1.923 453 W HN 0.448 nan 8.180 nan 0.000 1.344 454 T N -3.748 111.060 114.554 0.424 0.000 3.040 454 T HA 0.584 4.934 4.350 -0.000 0.000 0.266 454 T C 1.566 176.443 174.700 0.296 0.000 1.005 454 T CA 1.237 63.550 62.100 0.355 0.000 0.906 454 T CB 0.500 69.606 68.868 0.397 0.000 1.082 454 T HN 1.388 nan 8.240 nan 0.000 0.531 455 G N 1.940 110.897 108.800 0.262 0.000 5.426 455 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.297 455 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.297 455 G C -0.007 175.048 174.900 0.258 0.000 1.422 455 G CA 0.179 45.422 45.100 0.240 0.000 0.938 455 G HN 0.940 nan 8.290 nan 0.000 0.754 456 H N 3.871 123.076 119.070 0.225 0.000 2.819 456 H HA 0.457 5.013 4.556 -0.000 0.000 0.303 456 H C -0.951 174.541 175.328 0.274 0.000 1.058 456 H CA -1.000 55.189 56.048 0.236 0.000 1.471 456 H CB 1.592 31.493 29.762 0.231 0.000 1.480 456 H HN 0.138 nan 8.280 nan 0.000 0.517 457 P HA -0.221 nan 4.420 nan 0.000 0.217 457 P C 0.629 178.217 177.300 0.480 0.000 1.151 457 P CA 1.347 64.694 63.100 0.413 0.000 0.849 457 P CB 0.072 31.997 31.700 0.374 0.000 0.787 458 F N -1.653 118.636 119.950 0.564 0.000 2.661 458 F HA -0.065 4.462 4.527 -0.001 0.000 0.298 458 F C 2.097 177.902 175.800 0.009 0.000 1.137 458 F CA 0.582 58.715 58.000 0.221 0.000 1.454 458 F CB -0.978 38.069 39.000 0.078 0.000 1.103 458 F HN -0.264 nan 8.300 nan 0.000 0.577 459 V N -0.355 119.713 119.914 0.256 0.000 2.626 459 V HA -0.287 3.832 4.120 -0.000 0.000 0.252 459 V C 2.073 178.296 176.094 0.215 0.000 1.067 459 V CA 1.581 63.987 62.300 0.176 0.000 1.081 459 V CB -0.714 31.237 31.823 0.214 0.000 0.686 459 V HN 0.369 nan 8.190 nan 0.000 0.468 460 Q N 0.579 120.539 119.800 0.267 0.000 2.135 460 Q HA -0.208 4.131 4.340 -0.000 0.000 0.204 460 Q C 2.475 178.507 176.000 0.054 0.000 0.981 460 Q CA 1.993 58.014 55.803 0.364 0.000 0.856 460 Q CB -0.368 28.684 28.738 0.524 0.000 0.902 460 Q HN 0.817 nan 8.270 nan 0.000 0.425 461 S N -0.184 115.100 115.700 -0.693 0.000 2.382 461 S HA -0.116 4.353 4.470 -0.000 0.000 0.228 461 S C 2.044 176.492 174.600 -0.254 0.000 1.027 461 S CA 1.308 58.698 58.200 -1.349 0.000 0.991 461 S CB -0.210 61.837 63.200 -1.922 0.000 0.823 461 S HN 0.179 nan 8.310 nan 0.000 0.469 462 S N 0.579 116.275 115.700 -0.007 0.000 2.368 462 S HA -0.027 4.443 4.470 -0.000 0.000 0.224 462 S C 1.291 176.070 174.600 0.298 0.000 1.029 462 S CA 0.863 59.130 58.200 0.111 0.000 0.988 462 S CB -0.614 62.583 63.200 -0.005 0.000 0.838 462 S HN 0.779 nan 8.310 nan 0.000 0.462 463 W N 1.858 123.205 121.300 0.078 0.000 2.338 463 W HA -0.168 4.491 4.660 -0.001 0.000 0.304 463 W C 2.014 178.576 176.519 0.072 0.000 1.212 463 W CA 0.921 58.341 57.345 0.124 0.000 1.264 463 W CB -1.195 28.378 29.460 0.188 0.000 1.142 463 W HN 0.394 nan 8.180 nan 0.000 0.512 464 Y N 1.142 121.411 120.300 -0.052 0.000 2.114 464 Y HA -0.175 4.374 4.550 -0.001 0.000 0.284 464 Y C 2.608 178.367 175.900 -0.236 0.000 1.143 464 Y CA 3.429 61.194 58.100 -0.558 0.000 1.135 464 Y CB -1.002 36.966 38.460 -0.821 0.000 0.980 464 Y HN -0.077 nan 8.280 nan 0.000 0.499 465 A N -0.003 122.837 122.820 0.032 0.000 1.908 465 A HA -0.240 4.079 4.320 -0.000 0.000 0.218 465 A C 2.196 179.782 177.584 0.003 0.000 1.181 465 A CA 1.658 53.727 52.037 0.054 0.000 0.627 465 A CB -1.631 17.481 19.000 0.188 0.000 0.818 465 A HN 0.681 nan 8.150 nan 0.000 0.445 466 F N 1.243 121.198 119.950 0.008 0.000 2.095 466 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 466 F C 2.258 177.963 175.800 -0.158 0.000 1.104 466 F CA 1.839 59.734 58.000 -0.175 0.000 1.232 466 F CB -0.775 38.094 39.000 -0.217 0.000 0.987 466 F HN 0.179 nan 8.300 nan 0.000 0.475 467 G N 0.477 109.093 108.800 -0.306 0.000 2.408 467 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 467 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 467 G C 1.764 176.398 174.900 -0.443 0.000 1.150 467 G CA 0.466 45.324 45.100 -0.403 0.000 0.776 467 G HN 0.201 nan 8.290 nan 0.000 0.542 468 R N 0.082 120.281 120.500 -0.502 0.000 2.081 468 R HA 0.064 4.404 4.340 -0.000 0.000 0.235 468 R C 2.597 178.759 176.300 -0.231 0.000 1.131 468 R CA 1.076 56.928 56.100 -0.413 0.000 0.960 468 R CB -0.807 29.214 30.300 -0.465 0.000 0.856 468 R HN 0.420 nan 8.270 nan 0.000 0.436 469 M N -0.014 119.435 119.600 -0.252 0.000 2.319 469 M HA -0.010 4.470 4.480 -0.000 0.000 0.265 469 M C 2.307 178.482 176.300 -0.208 0.000 1.068 469 M CA 1.436 56.631 55.300 -0.175 0.000 1.118 469 M CB -0.263 32.264 32.600 -0.121 0.000 1.395 469 M HN 0.122 nan 8.290 nan 0.000 0.435 470 A N -0.054 122.524 122.820 -0.403 0.000 1.969 470 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 470 A C 2.007 179.490 177.584 -0.169 0.000 1.169 470 A CA 0.923 52.742 52.037 -0.362 0.000 0.635 470 A CB -0.938 17.707 19.000 -0.592 0.000 0.810 470 A HN 0.785 nan 8.150 nan 0.000 0.445 471 W N 0.284 121.398 121.300 -0.310 0.000 2.441 471 W HA 0.023 4.682 4.660 -0.000 0.000 0.302 471 W C -0.751 175.643 176.519 -0.209 0.000 1.191 471 W CA 1.669 58.864 57.345 -0.250 0.000 1.327 471 W CB 0.171 29.466 29.460 -0.276 0.000 1.128 471 W HN 0.343 nan 8.180 nan 0.000 0.522 472 D N -0.902 119.510 120.400 0.021 0.000 2.386 472 D HA 0.033 4.672 4.640 -0.000 0.000 0.247 472 D C 1.124 177.331 176.300 -0.156 0.000 1.336 472 D CA -0.309 53.620 54.000 -0.118 0.000 0.976 472 D CB 0.134 40.926 40.800 -0.014 0.000 1.257 472 D HN 0.250 nan 8.370 nan 0.000 0.570 473 H N 1.889 120.905 119.070 -0.091 0.000 2.561 473 H HA 0.009 4.565 4.556 -0.000 0.000 0.278 473 H C 0.288 175.581 175.328 -0.058 0.000 1.014 473 H CA 0.510 56.509 56.048 -0.082 0.000 1.211 473 H CB 0.334 30.038 29.762 -0.098 0.000 1.365 473 H HN 0.429 nan 8.280 nan 0.000 0.594 474 Q N 0.778 120.446 119.800 -0.221 0.000 2.360 474 Q HA 0.244 4.583 4.340 -0.000 0.000 0.202 474 Q C 0.386 176.352 176.000 -0.057 0.000 0.915 474 Q CA -0.284 55.460 55.803 -0.098 0.000 0.943 474 Q CB 0.641 29.290 28.738 -0.149 0.000 1.064 474 Q HN 0.452 nan 8.270 nan 0.000 0.511 475 I N 2.262 122.796 120.570 -0.059 0.000 2.618 475 I HA -0.072 4.098 4.170 -0.000 0.000 0.284 475 I C 0.786 176.898 176.117 -0.009 0.000 1.146 475 I CA -0.049 61.232 61.300 -0.033 0.000 1.425 475 I CB 0.705 38.677 38.000 -0.047 0.000 1.383 475 I HN 0.100 nan 8.210 nan 0.000 0.562 476 S N 5.087 120.791 115.700 0.008 0.000 2.632 476 S HA 0.412 4.882 4.470 -0.000 0.000 0.267 476 S C 1.081 175.705 174.600 0.041 0.000 1.276 476 S CA -0.275 57.936 58.200 0.018 0.000 0.998 476 S CB 1.740 64.954 63.200 0.024 0.000 0.953 476 S HN 0.715 nan 8.310 nan 0.000 0.547 477 A N 1.763 124.601 122.820 0.030 0.000 1.933 477 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 477 A C 2.363 180.069 177.584 0.203 0.000 1.175 477 A CA 1.794 53.878 52.037 0.079 0.000 0.628 477 A CB -1.654 17.318 19.000 -0.047 0.000 0.814 477 A HN 1.339 nan 8.150 nan 0.000 0.444 478 A N -1.143 121.749 122.820 0.121 0.000 1.902 478 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 478 A C 2.317 179.961 177.584 0.101 0.000 1.181 478 A CA 2.275 54.376 52.037 0.106 0.000 0.623 478 A CB -1.251 17.788 19.000 0.066 0.000 0.818 478 A HN 0.415 nan 8.150 nan 0.000 0.443 479 T N 0.220 114.828 114.554 0.090 0.000 2.708 479 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 479 T C 2.229 177.003 174.700 0.123 0.000 1.037 479 T CA 1.678 63.831 62.100 0.089 0.000 1.146 479 T CB -0.447 68.457 68.868 0.061 0.000 0.865 479 T HN 0.592 nan 8.240 nan 0.000 0.435 480 A N 1.286 124.198 122.820 0.152 0.000 1.933 480 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 480 A C 2.608 180.334 177.584 0.237 0.000 1.175 480 A CA 1.823 54.008 52.037 0.247 0.000 0.628 480 A CB -1.017 18.126 19.000 0.238 0.000 0.814 480 A HN 0.506 nan 8.150 nan 0.000 0.444 481 A N -0.342 122.565 122.820 0.146 0.000 1.930 481 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 481 A C 1.964 179.606 177.584 0.096 0.000 1.175 481 A CA 1.774 53.811 52.037 0.000 0.000 0.627 481 A CB -0.577 18.334 19.000 -0.147 0.000 0.815 481 A HN 0.598 nan 8.150 nan 0.000 0.443 482 D N -0.358 120.098 120.400 0.094 0.000 2.097 482 D HA -0.178 4.461 4.640 -0.000 0.000 0.195 482 D C 1.800 178.154 176.300 0.089 0.000 0.989 482 D CA 1.624 55.678 54.000 0.091 0.000 0.827 482 D CB -0.065 40.790 40.800 0.091 0.000 0.966 482 D HN 0.645 nan 8.370 nan 0.000 0.456 483 E N -0.417 119.837 120.200 0.090 0.000 2.051 483 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 483 E C 1.921 178.437 176.600 -0.139 0.000 0.991 483 E CA 0.928 57.349 56.400 0.035 0.000 0.799 483 E CB -0.338 29.426 29.700 0.107 0.000 0.748 483 E HN 0.425 nan 8.360 nan 0.000 0.449 484 W N 1.488 122.502 121.300 -0.476 0.000 2.388 484 W HA -0.107 4.553 4.660 -0.001 0.000 0.294 484 W C 1.696 178.050 176.519 -0.275 0.000 1.212 484 W CA 1.109 58.035 57.345 -0.698 0.000 1.271 484 W CB -0.132 28.864 29.460 -0.774 0.000 1.126 484 W HN -0.049 nan 8.180 nan 0.000 0.535 485 L N 0.387 121.609 121.223 -0.003 0.000 2.056 485 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 485 L C 2.726 179.608 176.870 0.021 0.000 1.078 485 L CA 1.600 56.475 54.840 0.059 0.000 0.749 485 L CB -0.822 41.393 42.059 0.261 0.000 0.901 485 L HN -0.090 nan 8.230 nan 0.000 0.433 486 R N -0.452 120.052 120.500 0.006 0.000 2.091 486 R HA -0.160 4.179 4.340 -0.000 0.000 0.238 486 R C 2.266 178.511 176.300 -0.091 0.000 1.136 486 R CA 1.559 57.660 56.100 0.002 0.000 0.959 486 R CB -0.316 30.008 30.300 0.039 0.000 0.856 486 R HN 0.332 nan 8.270 nan 0.000 0.437 487 M N -0.846 118.639 119.600 -0.192 0.000 2.254 487 M HA -0.063 4.416 4.480 -0.000 0.000 0.265 487 M C 1.691 177.776 176.300 -0.358 0.000 1.066 487 M CA 1.421 56.591 55.300 -0.218 0.000 1.123 487 M CB 0.213 32.693 32.600 -0.201 0.000 1.388 487 M HN 0.068 nan 8.290 nan 0.000 0.425 488 T N -1.088 113.098 114.554 -0.613 0.000 3.039 488 T HA 0.148 4.497 4.350 -0.000 0.000 0.250 488 T C 0.852 175.033 174.700 -0.865 0.000 1.052 488 T CA 0.782 62.330 62.100 -0.920 0.000 1.125 488 T CB 0.208 68.049 68.868 -1.711 0.000 0.908 488 T HN 0.150 nan 8.240 nan 0.000 0.473 489 F N 0.188 119.937 119.950 -0.334 0.000 2.347 489 F HA 0.524 5.051 4.527 -0.001 0.000 0.266 489 F C 0.730 176.342 175.800 -0.314 0.000 0.884 489 F CA -0.382 57.453 58.000 -0.274 0.000 1.123 489 F CB 0.509 39.394 39.000 -0.192 0.000 1.098 489 F HN -0.039 nan 8.300 nan 0.000 0.803 490 S N -0.686 114.979 115.700 -0.057 0.000 2.580 490 S HA 0.269 4.738 4.470 -0.000 0.000 0.281 490 S C -0.829 173.782 174.600 0.019 0.000 1.129 490 S CA -0.665 57.457 58.200 -0.131 0.000 0.862 490 S CB 0.695 63.603 63.200 -0.487 0.000 1.090 490 S HN 0.183 nan 8.310 nan 0.000 0.451 491 N N 1.745 120.451 118.700 0.009 0.000 2.270 491 N HA 0.067 4.807 4.740 -0.000 0.000 0.198 491 N C -0.500 175.024 175.510 0.024 0.000 1.117 491 N CA -0.014 53.057 53.050 0.035 0.000 0.845 491 N CB 0.320 38.824 38.487 0.028 0.000 0.980 491 N HN 0.553 nan 8.380 nan 0.000 0.486 492 Q N 1.016 120.816 119.800 -0.001 0.000 2.271 492 Q HA 0.089 4.429 4.340 -0.000 0.000 0.273 492 Q C -1.528 174.441 176.000 -0.052 0.000 1.051 492 Q CA -1.182 54.595 55.803 -0.044 0.000 0.901 492 Q CB 1.065 29.725 28.738 -0.131 0.000 1.174 492 Q HN 0.128 nan 8.270 nan 0.000 0.385 493 P HA -0.154 nan 4.420 nan 0.000 0.218 493 P C 0.800 178.053 177.300 -0.079 0.000 1.148 493 P CA 1.464 64.541 63.100 -0.040 0.000 0.822 493 P CB 0.282 31.968 31.700 -0.024 0.000 0.784 494 A N -1.730 121.017 122.820 -0.122 0.000 2.067 494 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 494 A C 1.975 179.408 177.584 -0.251 0.000 1.158 494 A CA 1.025 52.979 52.037 -0.139 0.000 0.661 494 A CB -1.583 17.387 19.000 -0.050 0.000 0.801 494 A HN 0.193 nan 8.150 nan 0.000 0.452 495 F N 0.289 119.874 119.950 -0.608 0.000 2.179 495 F HA 0.050 4.577 4.527 -0.000 0.000 0.292 495 F C 1.853 177.529 175.800 -0.207 0.000 1.089 495 F CA 1.134 58.812 58.000 -0.537 0.000 1.295 495 F CB -0.213 38.360 39.000 -0.713 0.000 1.041 495 F HN 0.131 nan 8.300 nan 0.000 0.487 496 I N 0.567 121.042 120.570 -0.158 0.000 2.127 496 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 496 I C 2.420 178.422 176.117 -0.191 0.000 1.075 496 I CA 1.931 63.133 61.300 -0.164 0.000 1.334 496 I CB -0.572 37.431 38.000 0.006 0.000 1.040 496 I HN 0.220 nan 8.210 nan 0.000 0.405 497 E N 1.400 121.522 120.200 -0.131 0.000 2.017 497 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 497 E C -0.553 175.985 176.600 -0.103 0.000 0.997 497 E CA 1.853 58.201 56.400 -0.087 0.000 0.804 497 E CB -1.165 28.503 29.700 -0.054 0.000 0.757 497 E HN 0.298 nan 8.360 nan 0.000 0.448 498 P HA -0.104 nan 4.420 nan 0.000 0.217 498 P C 1.431 178.664 177.300 -0.112 0.000 1.151 498 P CA 1.091 64.135 63.100 -0.092 0.000 0.828 498 P CB 0.043 31.700 31.700 -0.072 0.000 0.788 499 V N 1.032 120.803 119.914 -0.238 0.000 2.453 499 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 499 V C 2.854 178.904 176.094 -0.073 0.000 1.048 499 V CA 1.831 64.018 62.300 -0.189 0.000 1.049 499 V CB -1.212 30.314 31.823 -0.495 0.000 0.672 499 V HN 0.139 nan 8.190 nan 0.000 0.457 500 K N -0.234 120.110 120.400 -0.093 0.000 2.026 500 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 500 K C 2.316 178.910 176.600 -0.009 0.000 1.048 500 K CA 1.494 57.763 56.287 -0.029 0.000 0.929 500 K CB -0.087 32.400 32.500 -0.021 0.000 0.713 500 K HN 0.333 nan 8.250 nan 0.000 0.439 501 Q N 0.343 120.132 119.800 -0.019 0.000 2.119 501 Q HA -0.174 4.166 4.340 -0.000 0.000 0.201 501 Q C 2.023 178.022 176.000 -0.002 0.000 0.972 501 Q CA 1.536 57.337 55.803 -0.003 0.000 0.847 501 Q CB -0.292 28.441 28.738 -0.007 0.000 0.903 501 Q HN 0.485 nan 8.270 nan 0.000 0.433 502 M N -0.327 119.266 119.600 -0.013 0.000 2.080 502 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 502 M C 2.034 178.313 176.300 -0.035 0.000 1.068 502 M CA 1.477 56.763 55.300 -0.023 0.000 1.109 502 M CB -0.035 32.551 32.600 -0.023 0.000 1.342 502 M HN 0.184 nan 8.290 nan 0.000 0.405 503 M N 0.105 119.695 119.600 -0.017 0.000 2.117 503 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 503 M C 2.005 178.384 176.300 0.131 0.000 1.065 503 M CA 1.575 56.885 55.300 0.016 0.000 1.114 503 M CB -0.483 32.064 32.600 -0.087 0.000 1.361 503 M HN 0.340 nan 8.290 nan 0.000 0.408 504 L N -1.089 120.197 121.223 0.104 0.000 2.141 504 L HA -0.134 4.205 4.340 -0.000 0.000 0.209 504 L C 2.360 179.243 176.870 0.022 0.000 1.094 504 L CA 0.515 55.413 54.840 0.097 0.000 0.763 504 L CB -0.512 41.589 42.059 0.070 0.000 0.908 504 L HN 0.168 nan 8.230 nan 0.000 0.437 505 V N -0.676 119.242 119.914 0.006 0.000 3.235 505 V HA -0.142 3.978 4.120 -0.000 0.000 0.259 505 V C 2.536 178.614 176.094 -0.027 0.000 1.133 505 V CA 1.353 63.645 62.300 -0.012 0.000 1.128 505 V CB 0.215 32.035 31.823 -0.005 0.000 0.757 505 V HN 0.625 nan 8.190 nan 0.000 0.469 506 S N 0.596 116.276 115.700 -0.033 0.000 2.383 506 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 506 S C 2.190 176.749 174.600 -0.068 0.000 1.030 506 S CA 1.484 59.654 58.200 -0.050 0.000 1.002 506 S CB -0.655 62.496 63.200 -0.081 0.000 0.829 506 S HN 0.578 nan 8.310 nan 0.000 0.467 507 R N 1.596 122.019 120.500 -0.127 0.000 2.070 507 R HA -0.075 4.265 4.340 -0.000 0.000 0.233 507 R C 2.253 178.535 176.300 -0.030 0.000 1.137 507 R CA 2.211 58.214 56.100 -0.162 0.000 0.945 507 R CB -0.977 29.146 30.300 -0.295 0.000 0.845 507 R HN 0.539 nan 8.270 nan 0.000 0.430 508 E N 0.185 120.349 120.200 -0.059 0.000 2.110 508 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 508 E C 1.786 178.329 176.600 -0.096 0.000 0.988 508 E CA 1.534 57.897 56.400 -0.061 0.000 0.804 508 E CB -0.279 29.392 29.700 -0.048 0.000 0.745 508 E HN 0.416 nan 8.360 nan 0.000 0.458 509 A N 0.145 122.923 122.820 -0.070 0.000 1.917 509 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 509 A C 2.468 179.836 177.584 -0.359 0.000 1.182 509 A CA 1.958 53.956 52.037 -0.064 0.000 0.633 509 A CB -1.414 17.626 19.000 0.068 0.000 0.819 509 A HN 0.414 nan 8.150 nan 0.000 0.448 510 G N -0.912 107.670 108.800 -0.365 0.000 2.432 510 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.219 510 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.219 510 G C 1.465 175.924 174.900 -0.734 0.000 1.135 510 G CA 1.221 45.925 45.100 -0.661 0.000 0.767 510 G HN 0.343 nan 8.290 nan 0.000 0.550 511 V N 1.068 120.742 119.914 -0.400 0.000 2.323 511 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 511 V C 2.500 178.319 176.094 -0.459 0.000 1.041 511 V CA 2.042 64.115 62.300 -0.379 0.000 1.025 511 V CB -0.742 30.968 31.823 -0.188 0.000 0.656 511 V HN 0.424 nan 8.190 nan 0.000 0.451 512 N N -0.080 118.386 118.700 -0.390 0.000 2.120 512 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 512 N C 1.764 177.039 175.510 -0.392 0.000 1.024 512 N CA 1.809 54.648 53.050 -0.352 0.000 0.852 512 N CB -0.250 38.123 38.487 -0.190 0.000 1.003 512 N HN 0.803 nan 8.380 nan 0.000 0.424 513 Y N -0.365 119.778 120.300 -0.262 0.000 2.529 513 Y HA 0.319 4.868 4.550 -0.001 0.000 0.290 513 Y C 1.605 177.449 175.900 -0.094 0.000 1.177 513 Y CA -0.150 57.885 58.100 -0.108 0.000 1.305 513 Y CB -0.068 38.347 38.460 -0.075 0.000 1.047 513 Y HN -0.087 nan 8.280 nan 0.000 0.522 514 R N 0.510 120.746 120.500 -0.440 0.000 2.144 514 R HA 0.273 4.612 4.340 -0.000 0.000 0.195 514 R C -0.197 176.018 176.300 -0.143 0.000 1.077 514 R CA 0.979 56.762 56.100 -0.527 0.000 1.120 514 R CB 0.352 29.943 30.300 -1.182 0.000 1.060 514 R HN 0.300 nan 8.270 nan 0.000 0.520 515 S N 0.626 116.105 115.700 -0.367 0.000 2.769 515 S HA 0.243 4.713 4.470 -0.000 0.000 0.150 515 S C -2.840 171.569 174.600 -0.318 0.000 1.034 515 S CA -1.209 56.846 58.200 -0.242 0.000 1.096 515 S CB 1.540 64.636 63.200 -0.173 0.000 1.567 515 S HN -0.059 nan 8.310 nan 0.000 0.435 516 P HA 0.510 nan 4.420 nan 0.000 0.279 516 P C 0.669 177.837 177.300 -0.221 0.000 1.282 516 P CA -0.396 62.518 63.100 -0.309 0.000 0.788 516 P CB 0.401 31.881 31.700 -0.368 0.000 1.139 517 L N -2.217 118.914 121.223 -0.154 0.000 4.496 517 L HA -0.296 4.044 4.340 -0.000 0.000 0.419 517 L C 1.177 177.958 176.870 -0.149 0.000 1.139 517 L CA 0.684 55.453 54.840 -0.118 0.000 0.975 517 L CB -2.539 39.455 42.059 -0.107 0.000 2.099 517 L HN 0.864 nan 8.230 nan 0.000 0.818 518 G N -1.153 107.537 108.800 -0.182 0.000 2.176 518 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.232 518 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.232 518 G C 0.289 174.765 174.900 -0.707 0.000 0.986 518 G CA 0.202 45.066 45.100 -0.393 0.000 0.643 518 G HN 0.254 nan 8.290 nan 0.000 0.522 519 L N 0.352 121.329 121.223 -0.409 0.000 2.482 519 L HA 0.601 4.940 4.340 -0.000 0.000 0.273 519 L C 0.934 177.563 176.870 -0.401 0.000 1.228 519 L CA 1.011 55.651 54.840 -0.334 0.000 0.827 519 L CB 1.047 43.029 42.059 -0.129 0.000 1.099 519 L HN 0.265 nan 8.230 nan 0.000 0.494 520 T N -0.901 113.476 114.554 -0.295 0.000 2.775 520 T HA 0.193 4.543 4.350 -0.000 0.000 0.320 520 T C -0.439 174.203 174.700 -0.096 0.000 1.597 520 T CA -0.442 61.496 62.100 -0.271 0.000 1.022 520 T CB 0.545 69.073 68.868 -0.567 0.000 1.485 520 T HN 0.783 nan 8.240 nan 0.000 0.494 521 H N 1.806 120.745 119.070 -0.219 0.000 2.826 521 H HA -0.101 4.455 4.556 -0.000 0.000 0.306 521 H C 0.122 175.454 175.328 0.007 0.000 1.235 521 H CA 0.999 56.936 56.048 -0.185 0.000 1.150 521 H CB -1.115 28.222 29.762 -0.708 0.000 1.409 521 H HN 0.475 nan 8.280 nan 0.000 0.420 522 L N 0.316 121.526 121.223 -0.022 0.000 2.653 522 L HA 0.130 4.470 4.340 -0.000 0.000 0.231 522 L C 0.598 177.344 176.870 -0.206 0.000 1.153 522 L CA -0.039 54.770 54.840 -0.053 0.000 0.933 522 L CB -0.108 41.968 42.059 0.028 0.000 1.175 522 L HN 0.096 nan 8.230 nan 0.000 0.473 523 Y N -0.002 120.286 120.300 -0.020 0.000 2.300 523 Y HA 0.112 4.662 4.550 -0.000 0.000 0.328 523 Y C 1.317 177.185 175.900 -0.053 0.000 1.270 523 Y CA -0.080 58.036 58.100 0.027 0.000 1.352 523 Y CB 0.770 39.329 38.460 0.165 0.000 1.286 523 Y HN -0.128 nan 8.280 nan 0.000 0.536 524 S N 2.456 118.206 115.700 0.084 0.000 2.546 524 S HA 0.008 4.478 4.470 -0.000 0.000 0.290 524 S C -0.465 174.268 174.600 0.222 0.000 1.290 524 S CA -0.699 57.547 58.200 0.077 0.000 1.069 524 S CB 0.009 63.247 63.200 0.064 0.000 0.846 524 S HN 0.465 nan 8.310 nan 0.000 0.495 525 Q N 3.005 122.903 119.800 0.165 0.000 2.274 525 Q HA 0.412 4.751 4.340 -0.000 0.000 0.260 525 Q C 0.810 176.860 176.000 0.083 0.000 0.974 525 Q CA -0.286 55.610 55.803 0.155 0.000 0.876 525 Q CB 1.680 30.551 28.738 0.222 0.000 1.297 525 Q HN 0.883 nan 8.270 nan 0.000 0.446 526 G N 1.170 109.968 108.800 -0.004 0.000 3.233 526 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.234 526 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.234 526 G C 0.632 175.248 174.900 -0.475 0.000 1.137 526 G CA -0.000 44.976 45.100 -0.207 0.000 0.763 526 G HN 0.669 nan 8.290 nan 0.000 0.549 527 D N 0.166 120.467 120.400 -0.164 0.000 2.234 527 D HA -0.132 4.508 4.640 -0.000 0.000 0.205 527 D C 0.523 176.934 176.300 0.184 0.000 0.962 527 D CA 0.604 54.628 54.000 0.040 0.000 0.855 527 D CB -0.394 40.510 40.800 0.174 0.000 0.951 527 D HN 0.302 nan 8.370 nan 0.000 0.500 528 H N -1.461 117.779 119.070 0.283 0.000 2.992 528 H HA -0.232 4.324 4.556 -0.000 0.000 0.266 528 H C 0.551 176.074 175.328 0.324 0.000 1.200 528 H CA 0.957 57.161 56.048 0.260 0.000 1.135 528 H CB -2.727 27.016 29.762 -0.032 0.000 1.282 528 H HN 0.503 nan 8.280 nan 0.000 0.351 529 Y N 0.800 121.185 120.300 0.143 0.000 2.231 529 Y HA 0.355 4.906 4.550 0.001 0.000 0.294 529 Y C 1.544 177.437 175.900 -0.011 0.000 1.120 529 Y CA 1.259 59.160 58.100 -0.332 0.000 1.141 529 Y CB 0.290 38.419 38.460 -0.552 0.000 1.022 529 Y HN 0.255 nan 8.280 nan 0.000 0.523 530 G N 0.278 108.894 108.800 -0.307 0.000 3.016 530 G HA2 0.485 4.444 3.960 -0.000 0.000 0.270 530 G HA3 0.485 4.444 3.960 -0.000 0.000 0.270 530 G C -2.934 171.369 174.900 -0.994 0.000 1.352 530 G CA -1.951 42.725 45.100 -0.706 0.000 1.060 530 G HN -0.016 nan 8.290 nan 0.000 0.538 531 P HA 0.413 nan 4.420 nan 0.000 0.279 531 P C -0.735 175.961 177.300 -1.008 0.000 1.239 531 P CA -0.040 62.043 63.100 -1.695 0.000 0.789 531 P CB 1.812 32.611 31.700 -1.502 0.000 0.933 532 A N 4.535 126.730 122.820 -1.042 0.000 3.464 532 A HA 0.341 4.661 4.320 -0.000 0.000 0.243 532 A C -1.879 174.859 177.584 -1.411 0.000 1.100 532 A CA -0.704 50.429 52.037 -1.507 0.000 0.957 532 A CB 0.404 18.960 19.000 -0.740 0.000 1.340 532 A HN 0.302 nan 8.150 nan 0.000 0.645 533 P HA -0.106 nan 4.420 nan 0.000 0.230 533 P C 0.858 177.599 177.300 -0.931 0.000 1.158 533 P CA 0.813 63.406 63.100 -0.846 0.000 0.769 533 P CB -0.297 30.927 31.700 -0.793 0.000 0.807 534 W N -0.477 120.330 121.300 -0.823 0.000 2.905 534 W HA 0.236 4.896 4.660 -0.001 0.000 0.251 534 W C 0.123 176.576 176.519 -0.111 0.000 1.305 534 W CA -0.228 56.768 57.345 -0.582 0.000 1.465 534 W CB -2.116 27.120 29.460 -0.373 0.000 1.122 534 W HN -0.319 nan 8.180 nan 0.000 0.659 535 T N 3.122 117.589 114.554 -0.144 0.000 2.822 535 T HA 0.020 4.370 4.350 -0.000 0.000 0.288 535 T C -0.314 174.489 174.700 0.172 0.000 0.991 535 T CA 0.861 63.011 62.100 0.082 0.000 1.176 535 T CB 0.132 69.020 68.868 0.032 0.000 0.951 535 T HN 0.126 nan 8.240 nan 0.000 0.526 536 D N 0.876 121.397 120.400 0.202 0.000 2.752 536 D HA 0.226 4.866 4.640 -0.000 0.000 0.313 536 D C -0.969 175.432 176.300 0.167 0.000 1.225 536 D CA -0.498 53.613 54.000 0.185 0.000 0.976 536 D CB 1.387 42.296 40.800 0.180 0.000 1.443 536 D HN 0.437 nan 8.370 nan 0.000 0.515 537 D N 0.335 120.819 120.400 0.141 0.000 2.737 537 D HA -0.180 4.460 4.640 -0.000 0.000 0.238 537 D C -0.314 176.061 176.300 0.124 0.000 1.157 537 D CA 0.687 54.758 54.000 0.117 0.000 0.694 537 D CB -1.157 39.706 40.800 0.105 0.000 1.021 537 D HN 0.252 nan 8.370 nan 0.000 0.420 538 L N -0.452 120.853 121.223 0.137 0.000 2.313 538 L HA 0.323 4.663 4.340 -0.000 0.000 0.268 538 L C -0.873 176.043 176.870 0.076 0.000 1.010 538 L CA -2.037 52.891 54.840 0.145 0.000 0.814 538 L CB 0.954 43.157 42.059 0.240 0.000 1.304 538 L HN -0.244 nan 8.230 nan 0.000 0.441 539 P HA -0.112 nan 4.420 nan 0.000 0.217 539 P C -0.680 176.559 177.300 -0.101 0.000 1.148 539 P CA 1.200 64.278 63.100 -0.037 0.000 0.828 539 P CB 0.111 31.773 31.700 -0.063 0.000 0.783 540 R N -1.479 118.928 120.500 -0.155 0.000 2.439 540 R HA 0.720 5.060 4.340 -0.000 0.000 0.310 540 R C 0.708 176.969 176.300 -0.066 0.000 0.955 540 R CA -0.434 55.546 56.100 -0.200 0.000 0.853 540 R CB 1.300 31.332 30.300 -0.447 0.000 1.171 540 R HN -0.233 nan 8.270 nan 0.000 0.449 541 A N 2.805 125.604 122.820 -0.035 0.000 1.940 541 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 541 A C 1.395 178.844 177.584 -0.226 0.000 1.176 541 A CA 1.905 53.951 52.037 0.015 0.000 0.631 541 A CB -0.609 18.474 19.000 0.138 0.000 0.814 541 A HN 0.950 nan 8.150 nan 0.000 0.446 542 D N -2.414 117.689 120.400 -0.495 0.000 2.392 542 D HA -0.137 4.503 4.640 -0.000 0.000 0.228 542 D C 0.896 177.230 176.300 0.057 0.000 1.003 542 D CA 0.302 53.811 54.000 -0.818 0.000 0.917 542 D CB -0.409 40.057 40.800 -0.557 0.000 0.890 542 D HN 0.596 nan 8.370 nan 0.000 0.532 543 W N 1.468 122.764 121.300 -0.007 0.000 3.278 543 W HA 0.234 4.894 4.660 -0.000 0.000 0.308 543 W C 0.720 177.456 176.519 0.363 0.000 1.253 543 W CA -0.373 57.120 57.345 0.246 0.000 1.759 543 W CB -0.608 29.004 29.460 0.254 0.000 1.093 543 W HN -0.056 nan 8.180 nan 0.000 0.648 544 T N -2.967 111.848 114.554 0.436 0.000 2.824 544 T HA 0.642 4.992 4.350 -0.000 0.000 0.277 544 T C 1.239 176.237 174.700 0.498 0.000 0.975 544 T CA 0.084 62.418 62.100 0.391 0.000 0.966 544 T CB 2.065 71.093 68.868 0.267 0.000 1.054 544 T HN -0.092 nan 8.240 nan 0.000 0.533 545 A N 0.390 123.431 122.820 0.368 0.000 1.924 545 A HA 0.209 4.529 4.320 -0.000 0.000 0.211 545 A C 2.463 180.149 177.584 0.170 0.000 1.198 545 A CA 1.035 53.297 52.037 0.375 0.000 0.657 545 A CB -1.167 17.953 19.000 0.200 0.000 0.852 545 A HN 1.289 nan 8.150 nan 0.000 0.454 546 V N -2.473 117.451 119.914 0.016 0.000 2.490 546 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 546 V C 2.252 178.251 176.094 -0.158 0.000 1.061 546 V CA 2.211 64.325 62.300 -0.310 0.000 1.064 546 V CB -1.510 30.330 31.823 0.029 0.000 0.670 546 V HN 0.544 nan 8.190 nan 0.000 0.461 547 Y N 1.115 121.354 120.300 -0.101 0.000 2.151 547 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 547 Y C 2.241 178.034 175.900 -0.179 0.000 1.166 547 Y CA 2.284 60.283 58.100 -0.168 0.000 1.163 547 Y CB -0.451 37.842 38.460 -0.279 0.000 0.974 547 Y HN 0.352 nan 8.280 nan 0.000 0.511 548 Y N -1.221 119.241 120.300 0.269 0.000 2.269 548 Y HA -0.088 4.462 4.550 -0.000 0.000 0.294 548 Y C 2.603 178.623 175.900 0.200 0.000 1.120 548 Y CA 1.622 59.861 58.100 0.232 0.000 1.159 548 Y CB -0.663 37.875 38.460 0.129 0.000 1.024 548 Y HN 0.427 nan 8.280 nan 0.000 0.532 549 H N -1.549 117.735 119.070 0.357 0.000 2.465 549 H HA 0.233 4.788 4.556 -0.001 0.000 0.289 549 H C 0.665 176.128 175.328 0.225 0.000 1.022 549 H CA 0.270 56.480 56.048 0.270 0.000 1.340 549 H CB -0.364 29.629 29.762 0.385 0.000 1.437 549 H HN -0.046 nan 8.280 nan 0.000 0.539 550 R N 0.075 120.684 120.500 0.182 0.000 3.502 550 R HA -0.156 4.184 4.340 -0.000 0.000 0.266 550 R C -0.271 176.254 176.300 0.374 0.000 1.077 550 R CA 0.280 56.480 56.100 0.168 0.000 0.718 550 R CB -2.096 28.196 30.300 -0.013 0.000 1.120 550 R HN 0.620 nan 8.270 nan 0.000 0.457 551 A N 1.245 124.468 122.820 0.671 0.000 2.477 551 A HA 0.439 4.759 4.320 -0.000 0.000 0.246 551 A C 0.839 178.671 177.584 0.412 0.000 1.078 551 A CA 0.633 52.988 52.037 0.530 0.000 0.770 551 A CB 0.508 19.901 19.000 0.654 0.000 1.011 551 A HN 0.529 nan 8.150 nan 0.000 0.494 552 S N 0.867 116.785 115.700 0.364 0.000 2.794 552 S HA 0.528 4.997 4.470 -0.000 0.000 0.299 552 S C 0.570 175.386 174.600 0.360 0.000 1.179 552 S CA -0.207 58.167 58.200 0.289 0.000 0.838 552 S CB 1.134 64.461 63.200 0.211 0.000 1.206 552 S HN 0.599 nan 8.310 nan 0.000 0.523 553 K N 0.600 121.138 120.400 0.230 0.000 2.209 553 K HA -0.037 4.282 4.320 -0.000 0.000 0.204 553 K C 1.827 178.610 176.600 0.305 0.000 1.048 553 K CA 2.519 58.923 56.287 0.195 0.000 0.940 553 K CB -0.911 31.640 32.500 0.086 0.000 0.729 553 K HN 0.806 nan 8.250 nan 0.000 0.451 554 T N -4.232 110.483 114.554 0.268 0.000 3.037 554 T HA 0.368 4.717 4.350 -0.000 0.000 0.252 554 T C 0.854 175.603 174.700 0.082 0.000 1.073 554 T CA 0.133 62.366 62.100 0.221 0.000 1.091 554 T CB 0.580 69.528 68.868 0.133 0.000 0.935 554 T HN 0.199 nan 8.240 nan 0.000 0.488 555 G N 0.162 108.879 108.800 -0.139 0.000 2.490 555 G HA2 0.608 4.568 3.960 -0.000 0.000 0.308 555 G HA3 0.608 4.568 3.960 -0.000 0.000 0.308 555 G C -2.267 172.060 174.900 -0.955 0.000 1.286 555 G CA -0.626 43.971 45.100 -0.839 0.000 0.825 555 G HN 0.455 nan 8.290 nan 0.000 0.479 556 I N -1.064 118.752 120.570 -1.257 0.000 2.984 556 I HA 0.671 4.840 4.170 -0.000 0.000 0.303 556 I C -0.080 175.652 176.117 -0.641 0.000 1.381 556 I CA 0.583 61.427 61.300 -0.759 0.000 0.988 556 I CB 2.206 39.703 38.000 -0.839 0.000 1.307 556 I HN 2.158 nan 8.210 nan 0.000 0.460 557 G N 3.495 112.203 108.800 -0.153 0.000 2.440 557 G HA2 0.072 4.032 3.960 -0.000 0.000 0.684 557 G HA3 0.072 4.032 3.960 -0.000 0.000 0.684 557 G C -2.047 172.969 174.900 0.193 0.000 1.309 557 G CA -0.654 44.430 45.100 -0.027 0.000 0.931 557 G HN 0.675 nan 8.290 nan 0.000 0.612 558 F N 1.488 121.424 119.950 -0.024 0.000 2.477 558 F HA 0.649 5.176 4.527 -0.000 0.000 0.335 558 F C 0.042 175.807 175.800 -0.057 0.000 1.130 558 F CA -1.571 56.401 58.000 -0.048 0.000 0.948 558 F CB 1.826 40.771 39.000 -0.093 0.000 1.154 558 F HN 0.510 nan 8.300 nan 0.000 0.439 559 N N 5.250 123.987 118.700 0.062 0.000 2.402 559 N HA 0.182 4.922 4.740 -0.000 0.000 0.252 559 N C 0.078 175.672 175.510 0.140 0.000 1.118 559 N CA 0.196 53.275 53.050 0.048 0.000 0.945 559 N CB 0.318 38.775 38.487 -0.051 0.000 1.147 559 N HN 0.715 nan 8.380 nan 0.000 0.495 560 R N 1.177 121.753 120.500 0.125 0.000 2.546 560 R HA 0.094 4.433 4.340 -0.000 0.000 0.320 560 R C 0.410 176.719 176.300 0.014 0.000 1.021 560 R CA -0.178 55.981 56.100 0.098 0.000 1.088 560 R CB 0.231 30.561 30.300 0.050 0.000 1.278 560 R HN 0.612 nan 8.270 nan 0.000 0.557 561 T N -2.246 112.292 114.554 -0.026 0.000 2.771 561 T HA 0.175 4.524 4.350 -0.000 0.000 0.290 561 T C 1.229 175.926 174.700 -0.004 0.000 1.005 561 T CA -0.600 61.479 62.100 -0.035 0.000 0.944 561 T CB 1.239 70.090 68.868 -0.030 0.000 1.147 561 T HN -0.080 nan 8.240 nan 0.000 0.534 562 K N 0.135 120.536 120.400 0.002 0.000 2.218 562 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 562 K C 2.260 178.863 176.600 0.005 0.000 1.046 562 K CA 1.860 58.151 56.287 0.006 0.000 0.933 562 K CB -0.577 31.928 32.500 0.009 0.000 0.728 562 K HN 0.862 nan 8.250 nan 0.000 0.454 563 T N -2.982 111.574 114.554 0.004 0.000 3.129 563 T HA 0.146 4.496 4.350 -0.000 0.000 0.251 563 T C 1.039 175.727 174.700 -0.019 0.000 1.117 563 T CA 0.176 62.273 62.100 -0.004 0.000 1.034 563 T CB 0.551 69.420 68.868 0.002 0.000 0.968 563 T HN 0.197 nan 8.240 nan 0.000 0.526 564 G N 1.496 110.287 108.800 -0.015 0.000 3.414 564 G HA2 0.375 4.335 3.960 -0.000 0.000 0.189 564 G HA3 0.375 4.335 3.960 -0.000 0.000 0.189 564 G C 1.141 176.044 174.900 0.006 0.000 1.329 564 G CA 0.197 45.281 45.100 -0.027 0.000 0.851 564 G HN 0.341 nan 8.290 nan 0.000 0.671 565 S N -0.367 115.369 115.700 0.059 0.000 2.527 565 S HA -0.012 4.458 4.470 -0.000 0.000 0.222 565 S C 1.253 175.893 174.600 0.066 0.000 0.985 565 S CA 1.101 59.356 58.200 0.093 0.000 0.921 565 S CB -0.232 63.089 63.200 0.201 0.000 0.772 565 S HN 0.730 nan 8.310 nan 0.000 0.529 566 N N 0.782 119.508 118.700 0.043 0.000 2.708 566 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 566 N C 0.697 176.222 175.510 0.025 0.000 1.097 566 N CA 0.777 53.842 53.050 0.025 0.000 0.710 566 N CB -1.613 36.886 38.487 0.020 0.000 1.032 566 N HN 0.644 nan 8.380 nan 0.000 0.551 567 A N -0.404 122.439 122.820 0.038 0.000 2.019 567 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 567 A C 2.222 179.849 177.584 0.071 0.000 1.164 567 A CA 1.196 53.268 52.037 0.059 0.000 0.644 567 A CB -0.278 18.772 19.000 0.083 0.000 0.805 567 A HN 0.453 nan 8.150 nan 0.000 0.449 568 L N -0.956 120.298 121.223 0.052 0.000 2.191 568 L HA -0.203 4.136 4.340 -0.000 0.000 0.212 568 L C 2.859 179.768 176.870 0.064 0.000 1.103 568 L CA 0.910 55.797 54.840 0.078 0.000 0.769 568 L CB -0.469 41.545 42.059 -0.075 0.000 0.908 568 L HN 0.456 nan 8.230 nan 0.000 0.438 569 A N -0.735 122.085 122.820 -0.001 0.000 2.216 569 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 569 A C 2.053 179.581 177.584 -0.093 0.000 1.160 569 A CA 0.839 52.864 52.037 -0.021 0.000 0.725 569 A CB -0.280 18.715 19.000 -0.007 0.000 0.784 569 A HN 0.500 nan 8.150 nan 0.000 0.472 570 Q N -1.629 118.015 119.800 -0.261 0.000 2.451 570 Q HA 0.041 4.381 4.340 -0.000 0.000 0.206 570 Q C -0.572 175.049 176.000 -0.632 0.000 0.947 570 Q CA 0.307 55.665 55.803 -0.742 0.000 0.937 570 Q CB 0.078 28.060 28.738 -1.259 0.000 1.025 570 Q HN 0.777 nan 8.270 nan 0.000 0.511 571 Y N 0.288 120.462 120.300 -0.211 0.000 2.488 571 Y HA 0.296 4.846 4.550 -0.000 0.000 0.325 571 Y C -1.945 173.930 175.900 -0.042 0.000 1.204 571 Y CA -2.999 55.026 58.100 -0.124 0.000 1.229 571 Y CB 0.301 38.621 38.460 -0.232 0.000 1.274 571 Y HN -0.087 nan 8.280 nan 0.000 0.493 572 P HA -0.063 nan 4.420 nan 0.000 0.267 572 P C 0.778 178.101 177.300 0.038 0.000 1.200 572 P CA 0.121 63.306 63.100 0.141 0.000 0.772 572 P CB 0.726 32.540 31.700 0.190 0.000 0.855 573 E N 4.045 124.252 120.200 0.012 0.000 2.114 573 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 573 E C -0.935 175.598 176.600 -0.112 0.000 1.008 573 E CA 2.280 58.657 56.400 -0.039 0.000 0.810 573 E CB -1.657 28.027 29.700 -0.025 0.000 0.739 573 E HN 0.354 nan 8.360 nan 0.000 0.456 574 P HA -0.107 nan 4.420 nan 0.000 0.218 574 P C 1.554 178.636 177.300 -0.363 0.000 1.149 574 P CA 0.892 63.804 63.100 -0.314 0.000 0.817 574 P CB -0.003 31.357 31.700 -0.567 0.000 0.785 575 I N -0.433 119.931 120.570 -0.343 0.000 2.233 575 I HA -0.123 4.046 4.170 -0.000 0.000 0.243 575 I C 2.222 177.956 176.117 -0.639 0.000 1.093 575 I CA 1.399 62.300 61.300 -0.665 0.000 1.380 575 I CB -1.748 35.828 38.000 -0.707 0.000 1.067 575 I HN -0.091 nan 8.210 nan 0.000 0.413 576 A N 0.875 123.495 122.820 -0.333 0.000 1.940 576 A HA -0.274 4.045 4.320 -0.000 0.000 0.219 576 A C 2.453 179.953 177.584 -0.140 0.000 1.176 576 A CA 2.130 54.049 52.037 -0.196 0.000 0.631 576 A CB -0.590 18.361 19.000 -0.082 0.000 0.814 576 A HN 0.415 nan 8.150 nan 0.000 0.446 577 K N -0.457 119.860 120.400 -0.138 0.000 2.001 577 K HA -0.036 4.283 4.320 -0.000 0.000 0.208 577 K C 2.193 178.765 176.600 -0.047 0.000 1.048 577 K CA 1.217 57.456 56.287 -0.080 0.000 0.932 577 K CB -0.361 32.086 32.500 -0.088 0.000 0.715 577 K HN 0.333 nan 8.250 nan 0.000 0.437 578 A N 0.498 123.255 122.820 -0.105 0.000 1.902 578 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 578 A C 1.668 179.380 177.584 0.213 0.000 1.181 578 A CA 1.319 53.359 52.037 0.006 0.000 0.623 578 A CB -0.806 18.157 19.000 -0.062 0.000 0.818 578 A HN 0.550 nan 8.150 nan 0.000 0.443 579 W N -0.530 120.712 121.300 -0.095 0.000 2.658 579 W HA 0.213 4.873 4.660 -0.000 0.000 0.263 579 W C 2.302 178.834 176.519 0.022 0.000 1.274 579 W CA 0.075 57.357 57.345 -0.105 0.000 1.343 579 W CB -1.203 27.963 29.460 -0.491 0.000 1.106 579 W HN 0.383 nan 8.180 nan 0.000 0.615 580 G N -0.761 108.150 108.800 0.186 0.000 2.623 580 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 580 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 580 G C 0.092 175.149 174.900 0.261 0.000 1.138 580 G CA 0.260 45.479 45.100 0.197 0.000 0.794 580 G HN -0.041 nan 8.290 nan 0.000 0.535 581 D N 0.250 120.751 120.400 0.169 0.000 2.274 581 D HA 0.252 4.892 4.640 -0.000 0.000 0.239 581 D C 1.603 177.924 176.300 0.034 0.000 1.104 581 D CA -0.483 53.571 54.000 0.090 0.000 0.840 581 D CB 1.442 42.279 40.800 0.062 0.000 1.100 581 D HN -0.027 nan 8.370 nan 0.000 0.477 582 L N 3.594 124.773 121.223 -0.074 0.000 2.265 582 L HA -0.163 4.177 4.340 -0.000 0.000 0.215 582 L C 1.848 178.706 176.870 -0.021 0.000 1.117 582 L CA 0.600 55.347 54.840 -0.154 0.000 0.782 582 L CB -0.293 41.659 42.059 -0.178 0.000 0.914 582 L HN 0.391 nan 8.230 nan 0.000 0.441 583 N N -0.595 118.114 118.700 0.015 0.000 2.396 583 N HA -0.131 4.609 4.740 -0.000 0.000 0.180 583 N C 1.702 177.242 175.510 0.050 0.000 1.028 583 N CA 1.253 54.324 53.050 0.035 0.000 0.893 583 N CB 0.233 38.738 38.487 0.031 0.000 0.967 583 N HN 0.316 nan 8.380 nan 0.000 0.440 584 S N -1.958 113.783 115.700 0.069 0.000 2.589 584 S HA 0.192 4.662 4.470 -0.000 0.000 0.235 584 S C 0.406 175.100 174.600 0.158 0.000 1.051 584 S CA -0.514 57.747 58.200 0.101 0.000 0.978 584 S CB -0.125 63.132 63.200 0.095 0.000 0.929 584 S HN 0.002 nan 8.310 nan 0.000 0.523 585 V N 4.737 124.749 119.914 0.163 0.000 2.599 585 V HA 0.287 4.407 4.120 -0.000 0.000 0.300 585 V C -2.565 173.607 176.094 0.130 0.000 1.034 585 V CA -1.722 60.705 62.300 0.211 0.000 1.115 585 V CB 0.440 32.406 31.823 0.237 0.000 0.934 585 V HN 0.203 nan 8.190 nan 0.000 0.485 586 P HA 0.156 nan 4.420 nan 0.000 0.268 586 P C 0.555 177.880 177.300 0.041 0.000 1.204 586 P CA 0.060 63.202 63.100 0.070 0.000 0.768 586 P CB 0.488 32.222 31.700 0.056 0.000 0.842 587 E N 1.812 122.037 120.200 0.041 0.000 2.153 587 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 587 E C 1.044 177.649 176.600 0.008 0.000 0.988 587 E CA 1.335 57.752 56.400 0.028 0.000 0.811 587 E CB -0.136 29.582 29.700 0.031 0.000 0.746 587 E HN 0.634 nan 8.360 nan 0.000 0.466 588 D N 0.190 120.595 120.400 0.008 0.000 2.371 588 D HA -0.130 4.509 4.640 -0.000 0.000 0.221 588 D C 1.373 177.683 176.300 0.015 0.000 0.986 588 D CA 0.644 54.644 54.000 0.000 0.000 0.899 588 D CB -0.096 40.707 40.800 0.006 0.000 0.902 588 D HN 0.241 nan 8.370 nan 0.000 0.530 589 L N -0.344 120.880 121.223 0.003 0.000 2.966 589 L HA 0.348 4.688 4.340 -0.000 0.000 0.262 589 L C 1.969 178.830 176.870 -0.015 0.000 1.165 589 L CA -0.271 54.586 54.840 0.029 0.000 0.978 589 L CB 0.368 42.316 42.059 -0.184 0.000 1.337 589 L HN -0.061 nan 8.230 nan 0.000 0.563 590 I N 0.663 121.233 120.570 0.000 0.000 2.208 590 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 590 I C 2.019 178.152 176.117 0.027 0.000 1.097 590 I CA 1.695 63.034 61.300 0.066 0.000 1.363 590 I CB 0.229 38.247 38.000 0.029 0.000 1.051 590 I HN 0.264 nan 8.210 nan 0.000 0.413 591 L N -0.917 120.238 121.223 -0.114 0.000 2.551 591 L HA -0.140 4.200 4.340 -0.000 0.000 0.228 591 L C 1.859 178.576 176.870 -0.255 0.000 1.153 591 L CA 0.546 55.283 54.840 -0.171 0.000 0.851 591 L CB -0.560 41.366 42.059 -0.221 0.000 0.959 591 L HN 0.408 nan 8.230 nan 0.000 0.451 592 W N -0.579 120.445 121.300 -0.461 0.000 2.425 592 W HA -0.129 4.531 4.660 -0.001 0.000 0.277 592 W C 1.680 177.744 176.519 -0.759 0.000 1.231 592 W CA 0.657 57.556 57.345 -0.742 0.000 1.248 592 W CB 0.045 28.670 29.460 -1.391 0.000 1.117 592 W HN 0.083 nan 8.180 nan 0.000 0.568 593 F N -3.931 116.041 119.950 0.037 0.000 2.789 593 F HA 0.216 4.743 4.527 -0.000 0.000 0.320 593 F C 0.484 176.009 175.800 -0.458 0.000 1.079 593 F CA -0.209 57.660 58.000 -0.219 0.000 1.205 593 F CB -0.454 38.362 39.000 -0.306 0.000 1.046 593 F HN -0.281 nan 8.300 nan 0.000 0.586 594 H N -0.341 118.813 119.070 0.140 0.000 2.600 594 H HA 0.239 4.795 4.556 -0.000 0.000 0.357 594 H C -0.911 174.419 175.328 0.003 0.000 1.106 594 H CA -0.498 55.585 56.048 0.059 0.000 1.193 594 H CB 1.714 31.470 29.762 -0.011 0.000 1.594 594 H HN 0.007 nan 8.280 nan 0.000 0.526 595 H N 4.345 123.424 119.070 0.015 0.000 2.652 595 H HA 0.301 4.856 4.556 -0.000 0.000 0.298 595 H C -0.919 174.348 175.328 -0.102 0.000 1.076 595 H CA -0.326 55.676 56.048 -0.077 0.000 1.360 595 H CB 0.335 30.032 29.762 -0.108 0.000 1.421 595 H HN 0.438 nan 8.280 nan 0.000 0.464 596 L N 3.454 124.382 121.223 -0.492 0.000 2.342 596 L HA 0.209 4.549 4.340 -0.000 0.000 0.271 596 L C 0.633 177.226 176.870 -0.460 0.000 1.008 596 L CA -0.951 53.661 54.840 -0.380 0.000 0.818 596 L CB 1.993 43.827 42.059 -0.375 0.000 1.296 596 L HN 0.536 nan 8.230 nan 0.000 0.427 597 S N 0.500 116.067 115.700 -0.221 0.000 2.572 597 S HA 0.039 4.509 4.470 -0.000 0.000 0.279 597 S C 0.683 175.231 174.600 -0.088 0.000 1.341 597 S CA -0.096 58.018 58.200 -0.144 0.000 1.043 597 S CB 0.391 63.599 63.200 0.014 0.000 0.887 597 S HN 0.568 nan 8.310 nan 0.000 0.516 598 W N 1.246 122.561 121.300 0.026 0.000 2.387 598 W HA -0.029 4.631 4.660 -0.001 0.000 0.272 598 W C 1.542 178.125 176.519 0.108 0.000 1.224 598 W CA 0.431 57.821 57.345 0.075 0.000 1.210 598 W CB -0.055 29.438 29.460 0.056 0.000 1.125 598 W HN 0.686 nan 8.180 nan 0.000 0.572 599 D N -1.485 119.085 120.400 0.284 0.000 2.349 599 D HA -0.065 4.574 4.640 -0.000 0.000 0.224 599 D C 0.113 176.502 176.300 0.147 0.000 1.029 599 D CA 0.571 54.686 54.000 0.193 0.000 0.879 599 D CB -0.549 40.331 40.800 0.135 0.000 0.906 599 D HN 0.145 nan 8.370 nan 0.000 0.528 600 H N 1.808 120.916 119.070 0.062 0.000 3.070 600 H HA 0.014 4.570 4.556 -0.000 0.000 0.313 600 H C 0.161 175.510 175.328 0.035 0.000 0.997 600 H CA 0.312 56.373 56.048 0.022 0.000 1.438 600 H CB 0.304 30.052 29.762 -0.022 0.000 1.455 600 H HN -0.218 nan 8.280 nan 0.000 0.575 601 R N 5.588 125.763 120.500 -0.542 0.000 2.265 601 R HA 0.173 4.513 4.340 -0.000 0.000 0.314 601 R C -0.026 176.004 176.300 -0.450 0.000 1.053 601 R CA -0.699 55.189 56.100 -0.354 0.000 0.931 601 R CB 0.832 31.008 30.300 -0.207 0.000 1.024 601 R HN 0.614 nan 8.270 nan 0.000 0.457 602 M N 1.855 121.339 119.600 -0.193 0.000 2.245 602 M HA 0.127 4.607 4.480 -0.000 0.000 0.292 602 M C 1.626 177.882 176.300 -0.074 0.000 1.176 602 M CA -0.147 55.096 55.300 -0.095 0.000 1.035 602 M CB 0.597 33.187 32.600 -0.016 0.000 1.440 602 M HN 0.503 nan 8.290 nan 0.000 0.494 603 Q N 0.422 120.201 119.800 -0.035 0.000 2.135 603 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 603 Q C 1.788 177.766 176.000 -0.036 0.000 0.981 603 Q CA 2.078 57.865 55.803 -0.026 0.000 0.856 603 Q CB -0.124 28.611 28.738 -0.004 0.000 0.902 603 Q HN 0.892 nan 8.270 nan 0.000 0.425 604 S N -1.318 114.355 115.700 -0.045 0.000 2.474 604 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 604 S C 1.554 176.113 174.600 -0.067 0.000 0.997 604 S CA 0.834 58.995 58.200 -0.065 0.000 0.949 604 S CB 0.072 63.211 63.200 -0.101 0.000 0.766 604 S HN 0.581 nan 8.310 nan 0.000 0.517 605 G N 0.965 109.729 108.800 -0.061 0.000 2.217 605 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 605 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 605 G C 0.234 175.105 174.900 -0.049 0.000 0.990 605 G CA -0.023 45.044 45.100 -0.054 0.000 0.627 605 G HN 0.602 nan 8.290 nan 0.000 0.522 606 R N 1.190 121.658 120.500 -0.053 0.000 2.582 606 R HA 0.405 4.745 4.340 -0.000 0.000 0.271 606 R C 0.879 177.177 176.300 -0.002 0.000 1.078 606 R CA 0.106 56.190 56.100 -0.027 0.000 1.127 606 R CB 0.291 30.567 30.300 -0.041 0.000 1.038 606 R HN 0.616 nan 8.270 nan 0.000 0.500 607 N N 1.052 119.780 118.700 0.047 0.000 2.347 607 N HA -0.057 4.683 4.740 -0.000 0.000 0.253 607 N C 0.730 176.331 175.510 0.153 0.000 1.274 607 N CA -0.440 52.667 53.050 0.096 0.000 0.941 607 N CB 0.318 38.898 38.487 0.155 0.000 1.200 607 N HN 0.451 nan 8.380 nan 0.000 0.514 608 L N -0.431 120.933 121.223 0.235 0.000 2.046 608 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 608 L C 1.928 179.049 176.870 0.420 0.000 1.077 608 L CA 1.404 56.413 54.840 0.281 0.000 0.747 608 L CB -0.826 41.385 42.059 0.253 0.000 0.896 608 L HN 0.782 nan 8.230 nan 0.000 0.432 609 W N 0.310 121.844 121.300 0.391 0.000 2.355 609 W HA -0.275 4.384 4.660 -0.001 0.000 0.309 609 W C 2.155 178.739 176.519 0.108 0.000 1.206 609 W CA 1.795 59.265 57.345 0.208 0.000 1.284 609 W CB -0.210 29.214 29.460 -0.059 0.000 1.145 609 W HN 0.315 nan 8.180 nan 0.000 0.502 610 Q N 0.171 119.918 119.800 -0.088 0.000 2.084 610 Q HA -0.279 4.061 4.340 -0.000 0.000 0.202 610 Q C 2.052 177.985 176.000 -0.110 0.000 0.978 610 Q CA 2.118 57.814 55.803 -0.178 0.000 0.844 610 Q CB -0.359 28.390 28.738 0.018 0.000 0.898 610 Q HN 0.227 nan 8.270 nan 0.000 0.426 611 E N 0.949 121.138 120.200 -0.019 0.000 2.072 611 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 611 E C 1.759 178.364 176.600 0.008 0.000 0.985 611 E CA 0.671 57.083 56.400 0.020 0.000 0.801 611 E CB -0.192 29.528 29.700 0.033 0.000 0.750 611 E HN 0.345 nan 8.360 nan 0.000 0.452 612 L N -0.424 120.778 121.223 -0.034 0.000 2.017 612 L HA -0.172 4.167 4.340 -0.000 0.000 0.208 612 L C 2.147 178.990 176.870 -0.046 0.000 1.073 612 L CA 1.353 56.178 54.840 -0.025 0.000 0.745 612 L CB -0.277 41.816 42.059 0.056 0.000 0.894 612 L HN 0.091 nan 8.230 nan 0.000 0.432 613 V N -0.364 119.348 119.914 -0.338 0.000 2.343 613 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 613 V C 2.453 178.430 176.094 -0.195 0.000 1.051 613 V CA 2.190 64.272 62.300 -0.364 0.000 1.036 613 V CB -0.959 30.412 31.823 -0.753 0.000 0.654 613 V HN 0.659 nan 8.190 nan 0.000 0.451 614 H N 0.563 119.518 119.070 -0.191 0.000 2.352 614 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 614 H C 2.295 177.640 175.328 0.029 0.000 1.097 614 H CA 1.832 57.872 56.048 -0.014 0.000 1.311 614 H CB 0.064 29.858 29.762 0.054 0.000 1.377 614 H HN 0.172 nan 8.280 nan 0.000 0.504 615 K N -0.133 120.271 120.400 0.006 0.000 2.026 615 K HA -0.166 4.153 4.320 -0.000 0.000 0.208 615 K C 2.234 178.756 176.600 -0.130 0.000 1.048 615 K CA 1.550 57.781 56.287 -0.094 0.000 0.929 615 K CB -0.778 31.635 32.500 -0.145 0.000 0.713 615 K HN 0.447 nan 8.250 nan 0.000 0.439 616 Y N -0.136 120.129 120.300 -0.059 0.000 2.181 616 Y HA -0.247 4.303 4.550 -0.001 0.000 0.288 616 Y C 2.371 178.212 175.900 -0.099 0.000 1.146 616 Y CA 1.508 59.575 58.100 -0.056 0.000 1.164 616 Y CB -0.429 37.999 38.460 -0.054 0.000 0.982 616 Y HN 0.087 nan 8.280 nan 0.000 0.515 617 Y N -0.409 119.852 120.300 -0.065 0.000 2.242 617 Y HA -0.296 4.254 4.550 0.000 0.000 0.291 617 Y C 2.711 178.563 175.900 -0.079 0.000 1.137 617 Y CA 1.655 59.698 58.100 -0.095 0.000 1.181 617 Y CB -0.428 37.914 38.460 -0.196 0.000 0.989 617 Y HN 0.157 nan 8.280 nan 0.000 0.527 618 Q N 0.045 119.822 119.800 -0.038 0.000 2.096 618 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 618 Q C 2.462 178.459 176.000 -0.005 0.000 0.982 618 Q CA 1.693 57.447 55.803 -0.082 0.000 0.850 618 Q CB -0.535 28.096 28.738 -0.178 0.000 0.901 618 Q HN 0.543 nan 8.270 nan 0.000 0.422 619 G N -0.052 108.760 108.800 0.020 0.000 2.440 619 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 619 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 619 G C 1.411 176.411 174.900 0.167 0.000 1.154 619 G CA 1.006 46.183 45.100 0.129 0.000 0.767 619 G HN 0.309 nan 8.290 nan 0.000 0.552 620 V N 0.646 120.591 119.914 0.052 0.000 2.358 620 V HA -0.112 4.007 4.120 -0.000 0.000 0.246 620 V C 2.817 178.899 176.094 -0.019 0.000 1.047 620 V CA 1.902 64.166 62.300 -0.061 0.000 1.035 620 V CB -0.263 31.487 31.823 -0.122 0.000 0.658 620 V HN 0.295 nan 8.190 nan 0.000 0.452 621 E N -0.069 120.142 120.200 0.018 0.000 2.110 621 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 621 E C 2.256 178.869 176.600 0.023 0.000 0.988 621 E CA 1.245 57.663 56.400 0.029 0.000 0.804 621 E CB -0.253 29.475 29.700 0.047 0.000 0.745 621 E HN 0.690 nan 8.360 nan 0.000 0.458 622 Q N 0.155 119.972 119.800 0.029 0.000 2.084 622 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 622 Q C 2.370 178.383 176.000 0.023 0.000 0.978 622 Q CA 1.278 57.099 55.803 0.029 0.000 0.844 622 Q CB -0.018 28.742 28.738 0.036 0.000 0.898 622 Q HN 0.101 nan 8.270 nan 0.000 0.426 623 V N 0.884 120.810 119.914 0.019 0.000 2.343 623 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 623 V C 2.142 178.220 176.094 -0.027 0.000 1.051 623 V CA 1.887 64.174 62.300 -0.021 0.000 1.036 623 V CB -0.510 31.255 31.823 -0.096 0.000 0.654 623 V HN 0.298 nan 8.190 nan 0.000 0.451 624 R N 0.239 120.728 120.500 -0.019 0.000 2.091 624 R HA -0.145 4.194 4.340 -0.000 0.000 0.238 624 R C 2.419 178.729 176.300 0.017 0.000 1.136 624 R CA 1.552 57.651 56.100 -0.002 0.000 0.959 624 R CB -0.622 29.681 30.300 0.006 0.000 0.856 624 R HN 0.544 nan 8.270 nan 0.000 0.437 625 A N 0.877 123.709 122.820 0.020 0.000 1.930 625 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 625 A C 2.149 179.753 177.584 0.033 0.000 1.175 625 A CA 1.201 53.255 52.037 0.029 0.000 0.627 625 A CB -0.371 18.645 19.000 0.026 0.000 0.815 625 A HN 0.185 nan 8.150 nan 0.000 0.443 626 M N -0.875 118.736 119.600 0.018 0.000 2.159 626 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 626 M C 2.414 178.750 176.300 0.060 0.000 1.063 626 M CA 1.591 56.900 55.300 0.015 0.000 1.110 626 M CB -0.567 32.008 32.600 -0.042 0.000 1.374 626 M HN 0.513 nan 8.290 nan 0.000 0.411 627 Q N -0.002 119.825 119.800 0.045 0.000 2.061 627 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 627 Q C 2.162 178.242 176.000 0.133 0.000 0.984 627 Q CA 1.529 57.381 55.803 0.082 0.000 0.846 627 Q CB -0.218 28.546 28.738 0.044 0.000 0.902 627 Q HN 0.526 nan 8.270 nan 0.000 0.421 628 R N -0.262 120.296 120.500 0.096 0.000 2.075 628 R HA -0.080 4.259 4.340 -0.000 0.000 0.232 628 R C 2.429 178.797 176.300 0.113 0.000 1.126 628 R CA 1.616 57.773 56.100 0.095 0.000 0.963 628 R CB -0.424 29.915 30.300 0.065 0.000 0.858 628 R HN 0.239 nan 8.270 nan 0.000 0.435 629 T N 0.560 115.182 114.554 0.113 0.000 2.652 629 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 629 T C 1.278 176.090 174.700 0.187 0.000 1.039 629 T CA 1.279 63.450 62.100 0.118 0.000 1.153 629 T CB -0.331 68.593 68.868 0.094 0.000 0.863 629 T HN 0.480 nan 8.240 nan 0.000 0.428 630 W N 2.084 123.409 121.300 0.041 0.000 2.338 630 W HA -0.179 4.480 4.660 -0.001 0.000 0.304 630 W C 1.558 178.232 176.519 0.258 0.000 1.212 630 W CA 1.364 58.765 57.345 0.093 0.000 1.264 630 W CB -0.245 29.204 29.460 -0.018 0.000 1.142 630 W HN 0.273 nan 8.180 nan 0.000 0.512 631 D N 0.064 120.605 120.400 0.235 0.000 2.182 631 D HA -0.210 4.429 4.640 -0.000 0.000 0.201 631 D C 2.000 178.375 176.300 0.126 0.000 0.986 631 D CA 1.478 55.631 54.000 0.256 0.000 0.847 631 D CB -0.580 40.341 40.800 0.201 0.000 0.942 631 D HN 0.401 nan 8.370 nan 0.000 0.467 632 Q N -0.283 119.564 119.800 0.078 0.000 2.500 632 Q HA -0.058 4.281 4.340 -0.000 0.000 0.213 632 Q C 0.986 177.008 176.000 0.037 0.000 0.974 632 Q CA 0.588 56.417 55.803 0.043 0.000 0.918 632 Q CB 0.229 29.005 28.738 0.063 0.000 0.980 632 Q HN 0.228 nan 8.270 nan 0.000 0.505 633 Q N -0.372 119.414 119.800 -0.022 0.000 2.219 633 Q HA 0.024 4.364 4.340 -0.000 0.000 0.209 633 Q C 0.845 176.709 176.000 -0.227 0.000 0.854 633 Q CA 0.150 55.983 55.803 0.050 0.000 0.960 633 Q CB 0.514 29.234 28.738 -0.031 0.000 1.116 633 Q HN 0.450 nan 8.270 nan 0.000 0.500 634 E N 1.352 121.233 120.200 -0.531 0.000 2.130 634 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 634 E C 1.528 177.733 176.600 -0.658 0.000 0.998 634 E CA 1.218 56.987 56.400 -1.051 0.000 0.806 634 E CB 0.193 29.234 29.700 -1.099 0.000 0.738 634 E HN 0.349 nan 8.360 nan 0.000 0.459 635 A N -0.395 122.079 122.820 -0.576 0.000 2.067 635 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 635 A C 1.187 178.405 177.584 -0.609 0.000 1.158 635 A CA 0.969 52.636 52.037 -0.617 0.000 0.661 635 A CB -0.360 18.199 19.000 -0.735 0.000 0.801 635 A HN 0.387 nan 8.150 nan 0.000 0.452 636 Y N -1.581 118.566 120.300 -0.255 0.000 2.458 636 Y HA 0.329 4.879 4.550 -0.001 0.000 0.254 636 Y C 0.399 176.074 175.900 -0.376 0.000 1.120 636 Y CA -0.404 57.508 58.100 -0.313 0.000 1.282 636 Y CB 0.233 38.457 38.460 -0.393 0.000 1.109 636 Y HN -0.008 nan 8.280 nan 0.000 0.526 637 V N 1.962 121.774 119.914 -0.169 0.000 2.715 637 V HA 0.158 4.278 4.120 -0.000 0.000 0.310 637 V C -0.229 175.878 176.094 0.022 0.000 1.054 637 V CA -1.630 60.645 62.300 -0.042 0.000 0.928 637 V CB 1.690 33.532 31.823 0.032 0.000 1.007 637 V HN 0.206 nan 8.190 nan 0.000 0.437 638 D N 3.108 123.575 120.400 0.111 0.000 2.419 638 D HA 0.066 4.706 4.640 -0.000 0.000 0.236 638 D C 1.104 177.502 176.300 0.163 0.000 1.165 638 D CA 0.317 54.377 54.000 0.099 0.000 0.882 638 D CB 1.829 42.693 40.800 0.106 0.000 1.201 638 D HN 0.558 nan 8.370 nan 0.000 0.443 639 A N 2.381 125.268 122.820 0.112 0.000 1.972 639 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 639 A C 2.232 179.959 177.584 0.238 0.000 1.169 639 A CA 2.129 54.260 52.037 0.157 0.000 0.635 639 A CB -0.770 18.280 19.000 0.084 0.000 0.810 639 A HN 0.753 nan 8.150 nan 0.000 0.446 640 A N -0.149 122.784 122.820 0.188 0.000 1.854 640 A HA -0.095 4.224 4.320 -0.000 0.000 0.214 640 A C 2.238 179.960 177.584 0.230 0.000 1.192 640 A CA 1.332 53.475 52.037 0.178 0.000 0.611 640 A CB -0.441 18.636 19.000 0.128 0.000 0.832 640 A HN 0.512 nan 8.150 nan 0.000 0.442 641 R N -1.915 118.755 120.500 0.283 0.000 2.115 641 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 641 R C 1.954 178.545 176.300 0.486 0.000 1.111 641 R CA 1.332 57.654 56.100 0.369 0.000 0.976 641 R CB -0.475 30.105 30.300 0.468 0.000 0.870 641 R HN 0.580 nan 8.270 nan 0.000 0.445 642 F N 1.623 121.812 119.950 0.398 0.000 2.069 642 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 642 F C 2.311 178.384 175.800 0.454 0.000 1.113 642 F CA 1.661 59.945 58.000 0.473 0.000 1.214 642 F CB -0.399 38.706 39.000 0.174 0.000 0.978 642 F HN -0.023 nan 8.300 nan 0.000 0.474 643 A N -0.276 122.707 122.820 0.272 0.000 1.930 643 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 643 A C 2.248 179.865 177.584 0.055 0.000 1.175 643 A CA 1.645 53.765 52.037 0.138 0.000 0.627 643 A CB -1.022 18.093 19.000 0.192 0.000 0.815 643 A HN 0.635 nan 8.150 nan 0.000 0.443 644 Q N -0.183 119.672 119.800 0.091 0.000 2.020 644 Q HA -0.135 4.204 4.340 -0.000 0.000 0.202 644 Q C 1.971 177.934 176.000 -0.061 0.000 0.982 644 Q CA 2.139 57.963 55.803 0.035 0.000 0.838 644 Q CB -0.218 28.561 28.738 0.069 0.000 0.899 644 Q HN 0.383 nan 8.270 nan 0.000 0.423 645 V N 1.488 121.352 119.914 -0.083 0.000 2.343 645 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 645 V C 2.441 178.301 176.094 -0.390 0.000 1.051 645 V CA 2.143 64.235 62.300 -0.347 0.000 1.036 645 V CB -0.679 30.742 31.823 -0.671 0.000 0.654 645 V HN 0.409 nan 8.190 nan 0.000 0.451 646 K N 0.413 120.675 120.400 -0.230 0.000 2.032 646 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 646 K C 2.193 178.746 176.600 -0.078 0.000 1.048 646 K CA 1.798 58.013 56.287 -0.122 0.000 0.927 646 K CB -0.369 32.023 32.500 -0.179 0.000 0.712 646 K HN 0.423 nan 8.250 nan 0.000 0.441 647 A N 1.280 124.065 122.820 -0.058 0.000 1.877 647 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 647 A C 2.152 179.717 177.584 -0.031 0.000 1.186 647 A CA 1.406 53.429 52.037 -0.023 0.000 0.620 647 A CB -0.640 18.360 19.000 0.001 0.000 0.822 647 A HN 0.342 nan 8.150 nan 0.000 0.443 648 L N -0.757 120.425 121.223 -0.068 0.000 2.083 648 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 648 L C 2.504 179.357 176.870 -0.029 0.000 1.083 648 L CA 0.928 55.743 54.840 -0.042 0.000 0.752 648 L CB -0.516 41.458 42.059 -0.142 0.000 0.899 648 L HN 0.363 nan 8.230 nan 0.000 0.433 649 L N -0.779 120.393 121.223 -0.085 0.000 2.131 649 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 649 L C 2.676 179.501 176.870 -0.074 0.000 1.092 649 L CA 1.143 55.926 54.840 -0.094 0.000 0.759 649 L CB -0.366 41.616 42.059 -0.129 0.000 0.903 649 L HN 0.344 nan 8.230 nan 0.000 0.435 650 Q N -0.865 118.908 119.800 -0.045 0.000 2.079 650 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 650 Q C 2.348 178.329 176.000 -0.032 0.000 0.974 650 Q CA 1.433 57.220 55.803 -0.027 0.000 0.840 650 Q CB -0.183 28.554 28.738 -0.001 0.000 0.898 650 Q HN 0.336 nan 8.270 nan 0.000 0.430 651 V N 1.096 121.001 119.914 -0.016 0.000 2.295 651 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 651 V C 2.352 178.400 176.094 -0.077 0.000 1.049 651 V CA 2.213 64.517 62.300 0.007 0.000 1.024 651 V CB -0.695 31.169 31.823 0.070 0.000 0.648 651 V HN 0.426 nan 8.190 nan 0.000 0.447 652 Q N -0.207 119.488 119.800 -0.175 0.000 2.096 652 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 652 Q C 2.418 178.178 176.000 -0.399 0.000 0.982 652 Q CA 2.077 57.596 55.803 -0.474 0.000 0.850 652 Q CB -0.240 28.249 28.738 -0.416 0.000 0.901 652 Q HN 0.666 nan 8.270 nan 0.000 0.422 653 E N 0.668 120.728 120.200 -0.233 0.000 2.077 653 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 653 E C 2.014 178.518 176.600 -0.161 0.000 0.989 653 E CA 1.122 57.402 56.400 -0.199 0.000 0.800 653 E CB -0.104 29.530 29.700 -0.111 0.000 0.746 653 E HN 0.318 nan 8.360 nan 0.000 0.452 654 R N 0.384 120.827 120.500 -0.094 0.000 2.073 654 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 654 R C 2.288 178.573 176.300 -0.024 0.000 1.134 654 R CA 1.757 57.839 56.100 -0.030 0.000 0.952 654 R CB -0.019 30.291 30.300 0.016 0.000 0.850 654 R HN 0.173 nan 8.270 nan 0.000 0.433 655 E N -0.452 119.724 120.200 -0.042 0.000 2.106 655 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 655 E C 1.859 178.484 176.600 0.042 0.000 0.984 655 E CA 0.998 57.423 56.400 0.042 0.000 0.806 655 E CB -0.022 29.772 29.700 0.158 0.000 0.750 655 E HN 0.436 nan 8.360 nan 0.000 0.458 656 A N 0.752 123.408 122.820 -0.272 0.000 1.930 656 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 656 A C 2.450 179.898 177.584 -0.228 0.000 1.175 656 A CA 0.983 52.652 52.037 -0.613 0.000 0.627 656 A CB -0.560 17.689 19.000 -1.252 0.000 0.815 656 A HN 0.113 nan 8.150 nan 0.000 0.443 657 V N 0.151 119.968 119.914 -0.163 0.000 2.332 657 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 657 V C 2.668 178.725 176.094 -0.061 0.000 1.055 657 V CA 2.425 64.663 62.300 -0.104 0.000 1.038 657 V CB -0.820 30.972 31.823 -0.051 0.000 0.651 657 V HN 0.727 nan 8.190 nan 0.000 0.450 658 R N -1.273 119.231 120.500 0.007 0.000 2.081 658 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 658 R C 2.088 178.329 176.300 -0.099 0.000 1.131 658 R CA 2.144 58.249 56.100 0.008 0.000 0.960 658 R CB -0.427 29.906 30.300 0.055 0.000 0.856 658 R HN 0.544 nan 8.270 nan 0.000 0.436 659 W N 0.851 122.075 121.300 -0.127 0.000 2.354 659 W HA -0.111 4.549 4.660 -0.001 0.000 0.315 659 W C 2.700 179.124 176.519 -0.160 0.000 1.206 659 W CA 1.874 59.161 57.345 -0.096 0.000 1.290 659 W CB -0.288 29.210 29.460 0.064 0.000 1.152 659 W HN 0.112 nan 8.180 nan 0.000 0.489 660 R N 0.425 120.992 120.500 0.112 0.000 2.094 660 R HA -0.228 4.111 4.340 -0.000 0.000 0.239 660 R C 1.828 177.938 176.300 -0.317 0.000 1.137 660 R CA 2.187 58.224 56.100 -0.104 0.000 0.943 660 R CB -0.785 29.380 30.300 -0.224 0.000 0.850 660 R HN 0.142 nan 8.270 nan 0.000 0.433 661 N N 0.234 118.718 118.700 -0.360 0.000 2.120 661 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 661 N C 1.850 177.023 175.510 -0.562 0.000 1.024 661 N CA 1.770 54.525 53.050 -0.491 0.000 0.852 661 N CB -0.430 37.642 38.487 -0.692 0.000 1.003 661 N HN 0.165 nan 8.380 nan 0.000 0.424 662 S N 0.051 115.410 115.700 -0.569 0.000 2.356 662 S HA -0.096 4.374 4.470 -0.000 0.000 0.223 662 S C 2.290 176.827 174.600 -0.105 0.000 1.032 662 S CA 0.917 58.963 58.200 -0.256 0.000 1.005 662 S CB -0.387 62.728 63.200 -0.140 0.000 0.867 662 S HN 0.449 nan 8.310 nan 0.000 0.449 663 C N 0.825 119.973 119.300 -0.254 0.000 2.476 663 C HA 0.068 4.528 4.460 -0.000 0.000 0.278 663 C C 2.686 177.548 174.990 -0.212 0.000 1.274 663 C CA 0.147 58.978 59.018 -0.312 0.000 1.713 663 C CB -1.224 26.211 27.740 -0.508 0.000 2.039 663 C HN 0.396 nan 8.230 nan 0.000 0.484 664 V N 1.208 120.943 119.914 -0.298 0.000 2.343 664 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 664 V C 2.320 178.491 176.094 0.128 0.000 1.051 664 V CA 1.853 64.119 62.300 -0.058 0.000 1.036 664 V CB -0.617 31.156 31.823 -0.083 0.000 0.654 664 V HN 0.550 nan 8.190 nan 0.000 0.451 665 L N -1.439 119.814 121.223 0.049 0.000 2.093 665 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 665 L C 2.473 179.407 176.870 0.107 0.000 1.085 665 L CA 1.780 56.679 54.840 0.099 0.000 0.755 665 L CB -0.691 41.427 42.059 0.097 0.000 0.904 665 L HN 0.426 nan 8.230 nan 0.000 0.435 666 Y N 0.508 120.805 120.300 -0.005 0.000 2.114 666 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 666 Y C 2.285 178.141 175.900 -0.074 0.000 1.143 666 Y CA 1.482 59.554 58.100 -0.047 0.000 1.135 666 Y CB -0.517 37.880 38.460 -0.105 0.000 0.980 666 Y HN -0.034 nan 8.280 nan 0.000 0.499 667 F N 0.961 120.860 119.950 -0.085 0.000 2.216 667 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 667 F C 2.741 178.407 175.800 -0.224 0.000 1.085 667 F CA 1.708 59.638 58.000 -0.116 0.000 1.326 667 F CB -1.116 38.043 39.000 0.264 0.000 1.027 667 F HN 0.232 nan 8.300 nan 0.000 0.497 668 Q N 0.559 120.393 119.800 0.058 0.000 2.084 668 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 668 Q C 2.376 178.194 176.000 -0.303 0.000 0.978 668 Q CA 2.268 57.909 55.803 -0.270 0.000 0.844 668 Q CB -0.218 28.539 28.738 0.031 0.000 0.898 668 Q HN 0.430 nan 8.270 nan 0.000 0.426 669 S N -0.952 114.632 115.700 -0.192 0.000 2.419 669 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 669 S C 1.824 176.309 174.600 -0.192 0.000 1.016 669 S CA 1.279 59.380 58.200 -0.164 0.000 0.974 669 S CB -0.287 62.855 63.200 -0.097 0.000 0.786 669 S HN 0.269 nan 8.310 nan 0.000 0.492 670 V N 1.747 121.508 119.914 -0.256 0.000 2.426 670 V HA 0.182 4.302 4.120 -0.000 0.000 0.242 670 V C 3.084 179.097 176.094 -0.135 0.000 1.036 670 V CA 1.282 63.496 62.300 -0.142 0.000 1.044 670 V CB -1.185 30.576 31.823 -0.104 0.000 0.688 670 V HN 0.627 nan 8.190 nan 0.000 0.462 671 A N -0.168 122.442 122.820 -0.350 0.000 1.968 671 A HA 0.254 4.573 4.320 -0.000 0.000 0.217 671 A C 1.986 179.225 177.584 -0.575 0.000 1.169 671 A CA 1.262 52.908 52.037 -0.652 0.000 0.638 671 A CB -0.800 17.213 19.000 -1.644 0.000 0.812 671 A HN 1.348 nan 8.150 nan 0.000 0.446 672 G N -0.706 107.784 108.800 -0.516 0.000 2.272 672 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.280 672 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.280 672 G C 0.062 174.687 174.900 -0.458 0.000 1.067 672 G CA 0.508 45.381 45.100 -0.377 0.000 0.902 672 G HN 0.700 nan 8.290 nan 0.000 0.500 673 R N -0.090 119.966 120.500 -0.741 0.000 2.803 673 R HA 0.619 4.959 4.340 -0.000 0.000 0.276 673 R C -2.548 173.519 176.300 -0.388 0.000 0.978 673 R CA -2.022 53.661 56.100 -0.695 0.000 0.939 673 R CB 2.146 31.698 30.300 -1.245 0.000 1.179 673 R HN 0.123 nan 8.270 nan 0.000 0.472 674 P HA 0.206 nan 4.420 nan 0.000 0.281 674 P C -0.394 177.126 177.300 0.367 0.000 1.249 674 P CA -0.355 62.810 63.100 0.109 0.000 0.810 674 P CB 0.631 32.377 31.700 0.077 0.000 1.008 675 I N 3.411 124.168 120.570 0.312 0.000 2.533 675 I HA 0.096 4.266 4.170 -0.000 0.000 0.284 675 I C -1.786 174.460 176.117 0.216 0.000 1.109 675 I CA -1.763 59.699 61.300 0.270 0.000 1.412 675 I CB -0.175 37.933 38.000 0.180 0.000 1.396 675 I HN 0.180 nan 8.210 nan 0.000 0.543 676 P HA -0.069 nan 4.420 nan 0.000 0.265 676 P C 0.370 177.727 177.300 0.095 0.000 1.187 676 P CA 0.084 63.285 63.100 0.168 0.000 0.766 676 P CB 0.751 32.556 31.700 0.175 0.000 0.820 677 A N 4.052 126.882 122.820 0.016 0.000 2.019 677 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 677 A C 1.818 179.354 177.584 -0.079 0.000 1.164 677 A CA 1.657 53.686 52.037 -0.013 0.000 0.644 677 A CB -1.137 17.855 19.000 -0.013 0.000 0.805 677 A HN 0.736 nan 8.150 nan 0.000 0.449 678 N N -0.989 117.591 118.700 -0.199 0.000 2.364 678 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 678 N C -0.191 175.105 175.510 -0.357 0.000 1.022 678 N CA 0.630 53.499 53.050 -0.302 0.000 0.883 678 N CB -0.466 37.771 38.487 -0.416 0.000 0.965 678 N HN 0.476 nan 8.380 nan 0.000 0.438 679 Y N 1.509 121.706 120.300 -0.172 0.000 2.301 679 Y HA 0.179 4.729 4.550 -0.000 0.000 0.325 679 Y C 0.897 176.744 175.900 -0.087 0.000 1.203 679 Y CA -1.162 56.770 58.100 -0.281 0.000 1.255 679 Y CB 0.538 38.538 38.460 -0.766 0.000 1.232 679 Y HN -0.000 nan 8.280 nan 0.000 0.501 680 E N 3.374 123.710 120.200 0.227 0.000 2.351 680 E HA -0.023 4.327 4.350 -0.000 0.000 0.266 680 E C -0.771 175.987 176.600 0.264 0.000 1.031 680 E CA -0.526 56.002 56.400 0.215 0.000 0.911 680 E CB 0.505 30.335 29.700 0.216 0.000 0.986 680 E HN 0.506 nan 8.360 nan 0.000 0.446 681 Q N 4.442 124.340 119.800 0.164 0.000 2.332 681 Q HA 0.230 4.570 4.340 -0.000 0.000 0.263 681 Q C -2.116 173.963 176.000 0.132 0.000 0.979 681 Q CA -1.916 53.978 55.803 0.152 0.000 0.885 681 Q CB 0.388 29.182 28.738 0.093 0.000 1.218 681 Q HN 0.437 nan 8.270 nan 0.000 0.405 682 P HA -0.009 nan 4.420 nan 0.000 0.268 682 P C 0.522 177.860 177.300 0.063 0.000 1.204 682 P CA 0.044 63.215 63.100 0.118 0.000 0.768 682 P CB 0.725 32.508 31.700 0.139 0.000 0.842 683 E N 1.736 121.913 120.200 -0.037 0.000 2.230 683 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 683 E C -0.168 176.264 176.600 -0.280 0.000 0.987 683 E CA 0.731 57.014 56.400 -0.196 0.000 0.841 683 E CB 0.184 29.685 29.700 -0.330 0.000 0.783 683 E HN 0.627 nan 8.360 nan 0.000 0.481 684 H N 0.450 119.484 119.070 -0.060 0.000 2.508 684 H HA 0.120 4.676 4.556 -0.000 0.000 0.344 684 H C -0.051 175.324 175.328 0.080 0.000 1.192 684 H CA -0.766 55.171 56.048 -0.185 0.000 1.290 684 H CB 1.001 30.330 29.762 -0.721 0.000 1.571 684 H HN 0.062 nan 8.280 nan 0.000 0.555 685 D N 0.569 121.086 120.400 0.195 0.000 2.432 685 D HA -0.032 4.608 4.640 -0.000 0.000 0.258 685 D C 1.166 177.639 176.300 0.288 0.000 1.146 685 D CA -0.733 53.385 54.000 0.196 0.000 1.015 685 D CB 0.756 41.615 40.800 0.099 0.000 1.107 685 D HN 0.368 nan 8.370 nan 0.000 0.529 686 L N -0.120 121.225 121.223 0.204 0.000 2.042 686 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 686 L C 2.050 178.936 176.870 0.026 0.000 1.076 686 L CA 2.104 57.042 54.840 0.162 0.000 0.749 686 L CB -1.125 40.979 42.059 0.075 0.000 0.893 686 L HN 0.639 nan 8.230 nan 0.000 0.432 687 E N -1.299 118.892 120.200 -0.014 0.000 2.160 687 E HA -0.328 4.022 4.350 -0.000 0.000 0.195 687 E C 2.152 178.695 176.600 -0.094 0.000 0.991 687 E CA 1.730 58.075 56.400 -0.092 0.000 0.810 687 E CB -0.679 28.986 29.700 -0.059 0.000 0.742 687 E HN 0.665 nan 8.360 nan 0.000 0.466 688 Y N -0.611 119.576 120.300 -0.189 0.000 2.181 688 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 688 Y C 1.626 177.263 175.900 -0.438 0.000 1.146 688 Y CA 1.969 59.861 58.100 -0.347 0.000 1.164 688 Y CB -0.345 37.831 38.460 -0.473 0.000 0.982 688 Y HN 0.111 nan 8.280 nan 0.000 0.515 689 Y N 0.405 120.683 120.300 -0.037 0.000 2.314 689 Y HA -0.140 4.410 4.550 -0.000 0.000 0.293 689 Y C 2.294 178.087 175.900 -0.177 0.000 1.129 689 Y CA 1.387 59.433 58.100 -0.090 0.000 1.201 689 Y CB -0.183 38.323 38.460 0.077 0.000 0.999 689 Y HN 0.016 nan 8.280 nan 0.000 0.541 690 K N -0.366 119.864 120.400 -0.283 0.000 2.147 690 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 690 K C 2.145 178.613 176.600 -0.221 0.000 1.049 690 K CA 1.309 57.323 56.287 -0.455 0.000 0.936 690 K CB -0.188 31.884 32.500 -0.712 0.000 0.722 690 K HN 0.295 nan 8.250 nan 0.000 0.446 691 M N 1.213 120.651 119.600 -0.269 0.000 2.156 691 M HA -0.097 4.382 4.480 -0.000 0.000 0.264 691 M C 1.784 177.919 176.300 -0.275 0.000 1.067 691 M CA 1.551 56.691 55.300 -0.266 0.000 1.131 691 M CB -0.343 32.061 32.600 -0.326 0.000 1.368 691 M HN 0.129 nan 8.290 nan 0.000 0.416 692 L N 0.405 121.396 121.223 -0.386 0.000 2.191 692 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 692 L C 2.638 179.465 176.870 -0.071 0.000 1.103 692 L CA 0.977 55.659 54.840 -0.263 0.000 0.769 692 L CB -1.022 40.866 42.059 -0.286 0.000 0.908 692 L HN 0.359 nan 8.230 nan 0.000 0.438 693 A N 0.166 122.987 122.820 0.000 0.000 2.019 693 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 693 A C 2.364 179.986 177.584 0.063 0.000 1.164 693 A CA 1.313 53.398 52.037 0.080 0.000 0.644 693 A CB -0.333 18.832 19.000 0.276 0.000 0.805 693 A HN 0.369 nan 8.150 nan 0.000 0.449 694 R N -1.150 119.361 120.500 0.017 0.000 2.173 694 R HA -0.006 4.334 4.340 -0.000 0.000 0.208 694 R C 1.916 178.222 176.300 0.010 0.000 1.035 694 R CA 1.495 57.604 56.100 0.015 0.000 1.004 694 R CB -0.105 30.188 30.300 -0.011 0.000 0.917 694 R HN 0.692 nan 8.270 nan 0.000 0.462 695 T N -4.529 110.020 114.554 -0.009 0.000 2.971 695 T HA 0.063 4.413 4.350 -0.000 0.000 0.252 695 T C 1.162 175.891 174.700 0.047 0.000 1.022 695 T CA 0.615 62.715 62.100 -0.000 0.000 0.980 695 T CB 0.606 69.445 68.868 -0.048 0.000 1.044 695 T HN 0.070 nan 8.240 nan 0.000 0.501 696 T N 0.357 114.953 114.554 0.069 0.000 9.749 696 T HA -0.313 4.037 4.350 -0.000 0.000 0.394 696 T C 0.041 174.855 174.700 0.190 0.000 1.620 696 T CA 1.239 63.428 62.100 0.148 0.000 2.556 696 T CB -2.246 66.674 68.868 0.086 0.000 2.856 696 T HN 0.769 nan 8.240 nan 0.000 1.165 697 Y N 2.493 122.819 120.300 0.043 0.000 2.771 697 Y HA 0.132 4.682 4.550 0.000 0.000 0.393 697 Y C 0.149 175.903 175.900 -0.243 0.000 1.281 697 Y CA 0.275 58.351 58.100 -0.040 0.000 1.664 697 Y CB 0.006 38.454 38.460 -0.019 0.000 1.142 697 Y HN 0.156 nan 8.280 nan 0.000 0.510 698 V N 10.428 129.837 119.914 -0.840 0.000 2.372 698 V HA 0.165 4.285 4.120 -0.000 0.000 0.261 698 V C -1.813 173.629 176.094 -1.086 0.000 1.055 698 V CA -1.462 60.264 62.300 -0.957 0.000 0.930 698 V CB 0.782 32.382 31.823 -0.373 0.000 1.031 698 V HN 0.672 nan 8.190 nan 0.000 0.479 699 P HA 0.265 nan 4.420 nan 0.000 0.232 699 P C -0.468 176.929 177.300 0.160 0.000 1.814 699 P CA 0.043 63.000 63.100 -0.239 0.000 1.085 699 P CB 0.062 31.827 31.700 0.108 0.000 1.901 700 E N 2.569 122.809 120.200 0.066 0.000 2.335 700 E HA 0.382 4.732 4.350 -0.000 0.000 0.280 700 E C -2.533 174.144 176.600 0.127 0.000 0.918 700 E CA -1.957 54.536 56.400 0.156 0.000 0.765 700 E CB 1.043 30.843 29.700 0.168 0.000 1.218 700 E HN -0.158 nan 8.360 nan 0.000 0.425 701 P HA -0.027 nan 4.420 nan 0.000 0.215 701 P C -0.205 177.220 177.300 0.208 0.000 1.157 701 P CA 0.579 63.772 63.100 0.155 0.000 0.859 701 P CB 0.001 31.780 31.700 0.133 0.000 0.786 702 W N 2.893 124.203 121.300 0.018 0.000 2.158 702 W HA 0.150 4.810 4.660 -0.001 0.000 0.339 702 W C 0.336 176.898 176.519 0.071 0.000 1.294 702 W CA 0.558 57.903 57.345 -0.001 0.000 1.231 702 W CB 0.258 29.668 29.460 -0.082 0.000 1.143 702 W HN 0.167 nan 8.180 nan 0.000 0.571 703 H N 3.999 122.464 119.070 -1.008 0.000 2.961 703 H HA 0.491 5.046 4.556 -0.001 0.000 0.371 703 H C -1.577 172.825 175.328 -1.542 0.000 1.190 703 H CA -1.696 53.767 56.048 -0.975 0.000 1.138 703 H CB -0.692 28.808 29.762 -0.436 0.000 1.816 703 H HN 0.368 nan 8.280 nan 0.000 0.551 704 P HA 0.000 nan 4.420 nan 0.000 0.216 704 P CA 0.000 62.681 63.100 -0.699 0.000 0.800 704 P CB 0.000 31.595 31.700 -0.176 0.000 0.726