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 3koy_1_D DATA FIRST_RESID 5 DATA SEQUENCE LQLRVNEKLD VENILKDLDK YTPKRRGWTW RQPAENLQMG PFIYKDASTP DATA SEQUENCE LENSVALPSA KYFGDIDPQP LPVITTEIAS GRFEDDIRRM RMAAWHGADH DATA SEQUENCE IMVIRTAGQS HYDGLIEGTP QGIGGVPITR KQVRAQRKAL DLIEEEVGRP DATA SEQUENCE INYHSYVSGV AGPDIAVMFA EEGVNGAHQD PQYNVLYRNI NMIRSFIDAC DATA SEQUENCE ESKTIMAWAD MAQIDXXXGA HNANATAREA WKVMPELMVQ HALNSIFSLK DATA SEQUENCE VGMKKSNICL STVPPTAPPA PSMYLDLPYA VALREMFEGY RMRAQMNTKY DATA SEQUENCE MEASTREATV THVLNLLISK LTRADIQSTI TPDEGRNVPW HIYNIEACDT DATA SEQUENCE AKQALIGMDG LMDMVQLKRE GVLGDTVREL KERAVLFMEE IIEAGGYFNA DATA SEQUENCE VEQGFFVDSG YYPERNGDGI ARQINGGIGA GTVFERDEDY MAPVTAHFGY DATA SEQUENCE NNVKQYDEAL VSEPSKLIDG CTLEVPEKIV YIDELDENDN VNVRMEETKE DATA SEQUENCE FRXXSMIKPE VEWQADGTVL LTMFLPTSKR VAEFAAIEFA KKMNLEEVEV DATA SEQUENCE INREVMQEAE GTRIELKGRV PFSIDINSLV IPPXXXILSE DEIREDIEKT DATA SEQUENCE PLKIVAATVG EDEHSVGLRE VIDIKHGGIE KYGVEVHYLG TSVPVEKLVD DATA SEQUENCE AAIELKADAI LASTIISHDD IHYKNMKRIH ELAVEKGIRD KIMIGCGGTQ DATA SEQUENCE VTPEVAVKQG VDAGFGRGSK GIHVATFLVK KRREMR 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 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.880 176.870 0.017 0.000 1.165 5 L CA 0.000 54.850 54.840 0.017 0.000 0.813 5 L CB 0.000 42.072 42.059 0.021 0.000 0.961 6 Q N -0.844 118.968 119.800 0.020 0.000 2.291 6 Q HA 0.288 4.631 4.340 0.005 0.000 0.386 6 Q C -1.383 174.635 176.000 0.029 0.000 0.542 6 Q CA -0.120 55.696 55.803 0.022 0.000 1.064 6 Q CB 0.604 29.354 28.738 0.020 0.000 0.937 6 Q HN 0.036 nan 8.270 nan 0.000 0.442 7 L N 2.778 124.022 121.223 0.035 0.000 3.291 7 L HA -0.175 4.168 4.340 0.005 0.000 0.659 7 L C -1.161 175.745 176.870 0.060 0.000 1.042 7 L CA 0.362 55.233 54.840 0.051 0.000 1.256 7 L CB -0.528 41.571 42.059 0.066 0.000 1.596 7 L HN 0.505 nan 8.230 nan 0.000 0.819 8 R N 2.372 122.902 120.500 0.051 0.000 2.428 8 R HA 0.298 4.642 4.340 0.005 0.000 0.294 8 R C 1.083 177.424 176.300 0.068 0.000 1.000 8 R CA -0.036 56.096 56.100 0.053 0.000 0.960 8 R CB 1.642 31.961 30.300 0.032 0.000 1.076 8 R HN 0.435 nan 8.270 nan 0.000 0.475 9 V N 0.190 120.162 119.914 0.097 0.000 3.141 9 V HA -0.154 3.969 4.120 0.005 0.000 0.265 9 V C 0.723 176.819 176.094 0.003 0.000 1.126 9 V CA 1.732 64.106 62.300 0.124 0.000 1.141 9 V CB -0.689 31.283 31.823 0.248 0.000 0.743 9 V HN 0.824 nan 8.190 nan 0.000 0.492 10 N N -0.653 118.047 118.700 0.000 0.000 2.177 10 N HA 0.183 4.926 4.740 0.005 0.000 0.218 10 N C -0.023 175.468 175.510 -0.031 0.000 1.182 10 N CA -0.223 52.808 53.050 -0.031 0.000 0.882 10 N CB 0.003 38.480 38.487 -0.016 0.000 1.052 10 N HN 0.685 nan 8.380 nan 0.000 0.519 11 E N 0.948 121.136 120.200 -0.020 0.000 2.151 11 E HA 0.260 4.613 4.350 0.005 0.000 0.275 11 E C -0.607 175.975 176.600 -0.031 0.000 0.936 11 E CA -0.742 55.646 56.400 -0.019 0.000 0.777 11 E CB 1.772 31.470 29.700 -0.005 0.000 1.108 11 E HN 0.115 nan 8.360 nan 0.000 0.401 12 K N 1.721 122.097 120.400 -0.040 0.000 2.455 12 K HA -0.011 4.312 4.320 0.005 0.000 0.269 12 K C -0.173 176.411 176.600 -0.028 0.000 0.972 12 K CA -0.016 56.243 56.287 -0.046 0.000 0.938 12 K CB 0.293 32.767 32.500 -0.044 0.000 0.931 12 K HN 0.317 nan 8.250 nan 0.000 0.507 13 L N 2.240 123.445 121.223 -0.029 0.000 2.513 13 L HA -0.050 4.293 4.340 0.005 0.000 0.272 13 L C 0.534 177.393 176.870 -0.018 0.000 1.187 13 L CA 0.212 55.042 54.840 -0.016 0.000 0.895 13 L CB 0.044 42.094 42.059 -0.015 0.000 1.147 13 L HN 0.493 nan 8.230 nan 0.000 0.483 14 D N 2.866 123.259 120.400 -0.011 0.000 2.455 14 D HA -0.021 4.622 4.640 0.005 0.000 0.234 14 D C 0.976 177.268 176.300 -0.014 0.000 1.224 14 D CA 0.117 54.111 54.000 -0.011 0.000 0.999 14 D CB 0.973 41.770 40.800 -0.005 0.000 1.072 14 D HN 0.332 nan 8.370 nan 0.000 0.514 15 V N 3.319 123.219 119.914 -0.024 0.000 2.867 15 V HA -0.150 3.973 4.120 0.005 0.000 0.260 15 V C 1.742 177.823 176.094 -0.022 0.000 1.099 15 V CA 1.876 64.158 62.300 -0.031 0.000 1.122 15 V CB -0.174 31.613 31.823 -0.061 0.000 0.708 15 V HN 0.519 nan 8.190 nan 0.000 0.490 16 E N 0.362 120.551 120.200 -0.017 0.000 2.046 16 E HA -0.249 4.104 4.350 0.005 0.000 0.190 16 E C 2.037 178.638 176.600 0.003 0.000 0.982 16 E CA 1.549 57.944 56.400 -0.007 0.000 0.800 16 E CB -0.162 29.534 29.700 -0.007 0.000 0.756 16 E HN 0.748 nan 8.360 nan 0.000 0.449 17 N N 0.000 118.701 118.700 0.000 0.000 2.309 17 N HA -0.097 4.646 4.740 0.005 0.000 0.182 17 N C 1.679 177.190 175.510 0.002 0.000 1.018 17 N CA 0.813 53.865 53.050 0.003 0.000 0.876 17 N CB 0.073 38.562 38.487 0.003 0.000 0.972 17 N HN 0.172 nan 8.380 nan 0.000 0.434 18 I N 0.339 120.907 120.570 -0.002 0.000 2.179 18 I HA -0.234 3.940 4.170 0.005 0.000 0.242 18 I C 1.498 177.613 176.117 -0.003 0.000 1.088 18 I CA 1.081 62.374 61.300 -0.013 0.000 1.357 18 I CB -0.842 37.150 38.000 -0.013 0.000 1.051 18 I HN 0.243 nan 8.210 nan 0.000 0.409 19 L N 0.608 121.847 121.223 0.026 0.000 2.675 19 L HA -0.041 4.302 4.340 0.005 0.000 0.238 19 L C 0.654 177.549 176.870 0.042 0.000 1.155 19 L CA 0.440 55.314 54.840 0.057 0.000 0.881 19 L CB -0.496 41.616 42.059 0.087 0.000 1.008 19 L HN 0.122 nan 8.230 nan 0.000 0.443 20 K N 0.784 121.197 120.400 0.021 0.000 2.248 20 K HA 0.142 4.465 4.320 0.005 0.000 0.281 20 K C -0.254 176.352 176.600 0.010 0.000 1.054 20 K CA -0.400 55.899 56.287 0.019 0.000 0.903 20 K CB 0.853 33.361 32.500 0.015 0.000 1.077 20 K HN -0.025 nan 8.250 nan 0.000 0.474 21 D N 2.007 122.411 120.400 0.006 0.000 3.091 21 D HA -0.175 4.468 4.640 0.005 0.000 0.216 21 D C 0.639 176.910 176.300 -0.049 0.000 1.129 21 D CA 0.575 54.567 54.000 -0.014 0.000 0.913 21 D CB -1.156 39.644 40.800 -0.000 0.000 1.101 21 D HN 0.554 nan 8.370 nan 0.000 0.426 22 L N 0.651 121.835 121.223 -0.065 0.000 2.551 22 L HA -0.166 4.177 4.340 0.005 0.000 0.230 22 L C 2.161 178.767 176.870 -0.440 0.000 1.163 22 L CA 1.529 56.289 54.840 -0.134 0.000 0.826 22 L CB -0.308 41.732 42.059 -0.031 0.000 0.943 22 L HN 0.150 nan 8.230 nan 0.000 0.452 23 D N -0.862 119.248 120.400 -0.483 0.000 2.347 23 D HA -0.125 4.518 4.640 0.005 0.000 0.213 23 D C 1.462 177.579 176.300 -0.305 0.000 0.985 23 D CA 0.605 54.199 54.000 -0.677 0.000 0.879 23 D CB 0.042 40.638 40.800 -0.341 0.000 0.919 23 D HN 0.165 nan 8.370 nan 0.000 0.526 24 K N -0.330 119.977 120.400 -0.155 0.000 2.358 24 K HA 0.063 4.386 4.320 0.005 0.000 0.200 24 K C -0.208 176.376 176.600 -0.026 0.000 1.030 24 K CA -0.574 55.672 56.287 -0.069 0.000 1.097 24 K CB -0.150 32.328 32.500 -0.038 0.000 0.862 24 K HN 0.256 nan 8.250 nan 0.000 0.534 25 Y N 2.004 122.226 120.300 -0.130 0.000 2.377 25 Y HA 0.124 4.678 4.550 0.006 0.000 0.330 25 Y C -0.195 175.673 175.900 -0.055 0.000 1.108 25 Y CA 0.295 58.345 58.100 -0.083 0.000 1.308 25 Y CB 0.683 39.094 38.460 -0.081 0.000 1.216 25 Y HN -0.129 nan 8.280 nan 0.000 0.518 26 T N 8.184 122.219 114.554 -0.865 0.000 2.908 26 T HA 0.416 4.769 4.350 0.005 0.000 0.290 26 T C -2.861 171.181 174.700 -1.097 0.000 1.034 26 T CA -1.783 59.903 62.100 -0.691 0.000 1.010 26 T CB 1.659 70.337 68.868 -0.317 0.000 1.068 26 T HN 0.438 nan 8.240 nan 0.000 0.481 27 P HA 0.235 nan 4.420 nan 0.000 0.281 27 P C 0.626 177.824 177.300 -0.171 0.000 1.252 27 P CA -0.456 62.483 63.100 -0.269 0.000 0.778 27 P CB 1.306 32.990 31.700 -0.028 0.000 0.895 28 K N 3.607 123.950 120.400 -0.096 0.000 2.052 28 K HA -0.188 4.136 4.320 0.005 0.000 0.215 28 K C 0.928 177.498 176.600 -0.051 0.000 1.053 28 K CA 1.609 57.862 56.287 -0.057 0.000 0.934 28 K CB 0.156 32.648 32.500 -0.013 0.000 0.717 28 K HN 0.570 nan 8.250 nan 0.000 0.450 29 R N -1.207 119.270 120.500 -0.038 0.000 2.947 29 R HA 0.505 4.848 4.340 0.005 0.000 0.253 29 R C -0.704 175.575 176.300 -0.035 0.000 1.208 29 R CA -1.158 54.916 56.100 -0.042 0.000 1.012 29 R CB 1.145 31.416 30.300 -0.048 0.000 1.267 29 R HN -0.092 nan 8.270 nan 0.000 0.473 30 R N -0.555 119.917 120.500 -0.046 0.000 2.799 30 R HA 0.664 5.007 4.340 0.005 0.000 0.270 30 R C -0.647 175.621 176.300 -0.053 0.000 1.010 30 R CA -0.564 55.512 56.100 -0.040 0.000 0.916 30 R CB 2.087 32.351 30.300 -0.061 0.000 1.228 30 R HN 0.990 nan 8.270 nan 0.000 0.469 31 G N 0.650 109.432 108.800 -0.030 0.000 2.746 31 G HA2 -0.217 3.746 3.960 0.005 0.000 0.685 31 G HA3 -0.217 3.746 3.960 0.005 0.000 0.685 31 G C -1.225 173.677 174.900 0.004 0.000 1.350 31 G CA -0.445 44.648 45.100 -0.012 0.000 0.837 31 G HN 0.604 nan 8.290 nan 0.000 0.564 32 W N 1.805 122.987 121.300 -0.195 0.000 2.251 32 W HA 0.598 5.261 4.660 0.005 0.000 0.329 32 W C 0.565 176.863 176.519 -0.368 0.000 1.234 32 W CA 0.393 57.544 57.345 -0.323 0.000 1.228 32 W CB 1.475 30.667 29.460 -0.447 0.000 1.135 32 W HN 1.141 nan 8.180 nan 0.000 0.576 33 T N 2.160 116.079 114.554 -1.059 0.000 2.807 33 T HA 0.430 4.783 4.350 0.005 0.000 0.279 33 T C -0.735 173.402 174.700 -0.939 0.000 0.993 33 T CA -0.551 61.117 62.100 -0.720 0.000 0.970 33 T CB 1.171 69.771 68.868 -0.445 0.000 0.950 33 T HN 0.468 nan 8.240 nan 0.000 0.441 34 W N 1.285 122.509 121.300 -0.127 0.000 2.260 34 W HA 0.591 5.254 4.660 0.006 0.000 0.366 34 W C 0.992 177.472 176.519 -0.065 0.000 1.315 34 W CA -1.387 55.958 57.345 -0.001 0.000 1.458 34 W CB 0.860 30.389 29.460 0.115 0.000 1.255 34 W HN 0.469 nan 8.180 nan 0.000 0.671 35 R N 1.312 121.971 120.500 0.266 0.000 2.457 35 R HA 0.195 4.538 4.340 0.005 0.000 0.284 35 R C -0.385 175.978 176.300 0.104 0.000 1.024 35 R CA -0.816 55.352 56.100 0.114 0.000 1.025 35 R CB 0.694 31.046 30.300 0.087 0.000 1.063 35 R HN 0.254 nan 8.270 nan 0.000 0.493 36 Q N 2.641 122.471 119.800 0.051 0.000 2.296 36 Q HA 0.270 4.613 4.340 0.005 0.000 0.257 36 Q C -2.349 173.664 176.000 0.022 0.000 0.942 36 Q CA -2.480 53.345 55.803 0.037 0.000 0.939 36 Q CB 0.912 29.662 28.738 0.019 0.000 1.198 36 Q HN 0.265 nan 8.270 nan 0.000 0.429 37 P HA 0.022 nan 4.420 nan 0.000 0.263 37 P C -0.828 176.478 177.300 0.010 0.000 1.195 37 P CA 0.259 63.367 63.100 0.013 0.000 0.762 37 P CB 0.486 32.191 31.700 0.008 0.000 0.799 38 A N 3.481 126.307 122.820 0.010 0.000 2.937 38 A HA 0.234 4.557 4.320 0.005 0.000 0.338 38 A C 0.147 177.748 177.584 0.027 0.000 1.273 38 A CA -0.506 51.539 52.037 0.013 0.000 0.937 38 A CB -0.457 18.545 19.000 0.004 0.000 1.133 38 A HN 0.456 nan 8.150 nan 0.000 0.491 39 E N 1.914 122.129 120.200 0.025 0.000 2.414 39 E HA 0.053 4.406 4.350 0.005 0.000 0.263 39 E C 0.035 176.660 176.600 0.042 0.000 1.000 39 E CA 0.041 56.459 56.400 0.031 0.000 0.914 39 E CB 0.200 29.911 29.700 0.019 0.000 0.948 39 E HN 0.616 nan 8.360 nan 0.000 0.444 40 N N 1.498 120.231 118.700 0.055 0.000 2.716 40 N HA -0.238 4.505 4.740 0.005 0.000 0.250 40 N C -0.610 174.946 175.510 0.077 0.000 1.033 40 N CA 0.406 53.493 53.050 0.061 0.000 0.727 40 N CB -1.057 37.451 38.487 0.035 0.000 0.950 40 N HN 0.281 nan 8.380 nan 0.000 0.541 41 L N 0.685 121.970 121.223 0.104 0.000 2.456 41 L HA 0.117 4.460 4.340 0.005 0.000 0.272 41 L C 0.741 177.713 176.870 0.170 0.000 1.189 41 L CA 0.601 55.504 54.840 0.106 0.000 0.846 41 L CB 0.691 42.797 42.059 0.078 0.000 1.111 41 L HN 0.137 nan 8.230 nan 0.000 0.475 42 Q N 5.090 124.967 119.800 0.129 0.000 2.290 42 Q HA 0.454 4.797 4.340 0.005 0.000 0.259 42 Q C -1.350 174.748 176.000 0.164 0.000 0.941 42 Q CA -0.394 55.502 55.803 0.155 0.000 0.912 42 Q CB 1.416 30.203 28.738 0.082 0.000 1.244 42 Q HN 0.740 nan 8.270 nan 0.000 0.441 43 M N 2.566 122.328 119.600 0.271 0.000 2.213 43 M HA 0.369 4.852 4.480 0.005 0.000 0.286 43 M C 0.163 176.610 176.300 0.244 0.000 1.008 43 M CA 0.003 55.430 55.300 0.213 0.000 0.937 43 M CB 1.820 34.498 32.600 0.131 0.000 1.600 43 M HN 0.944 nan 8.290 nan 0.000 0.450 44 G N 4.839 113.716 108.800 0.128 0.000 2.574 44 G HA2 -0.231 3.732 3.960 0.005 0.000 0.286 44 G HA3 -0.231 3.732 3.960 0.005 0.000 0.286 44 G C -2.343 172.523 174.900 -0.056 0.000 1.212 44 G CA -0.145 44.998 45.100 0.073 0.000 0.979 44 G HN 0.521 nan 8.290 nan 0.000 0.557 45 P HA 0.336 nan 4.420 nan 0.000 0.249 45 P C 0.134 177.111 177.300 -0.538 0.000 1.229 45 P CA 0.560 63.356 63.100 -0.507 0.000 0.788 45 P CB 0.080 31.267 31.700 -0.854 0.000 1.072 46 F N -0.655 119.284 119.950 -0.018 0.000 2.541 46 F HA 0.452 4.982 4.527 0.005 0.000 0.331 46 F C 0.731 176.418 175.800 -0.188 0.000 1.057 46 F CA -1.526 56.371 58.000 -0.172 0.000 0.975 46 F CB 0.848 39.635 39.000 -0.356 0.000 1.246 46 F HN -0.370 nan 8.300 nan 0.000 0.484 47 I N 1.301 121.815 120.570 -0.093 0.000 2.493 47 I HA 0.313 4.486 4.170 0.005 0.000 0.298 47 I C -1.401 174.507 176.117 -0.348 0.000 0.998 47 I CA -0.842 60.394 61.300 -0.106 0.000 1.137 47 I CB 1.801 39.787 38.000 -0.023 0.000 1.310 47 I HN 0.456 nan 8.210 nan 0.000 0.445 48 Y N 5.616 125.935 120.300 0.031 0.000 2.328 48 Y HA 0.307 4.860 4.550 0.005 0.000 0.333 48 Y C 0.911 176.812 175.900 0.002 0.000 0.958 48 Y CA -0.834 57.271 58.100 0.008 0.000 1.167 48 Y CB 1.410 39.874 38.460 0.007 0.000 1.151 48 Y HN 0.392 nan 8.280 nan 0.000 0.470 49 K N 1.083 121.542 120.400 0.097 0.000 2.062 49 K HA -0.037 4.286 4.320 0.005 0.000 0.205 49 K C -0.288 176.353 176.600 0.068 0.000 1.051 49 K CA 1.158 57.481 56.287 0.059 0.000 0.941 49 K CB 0.124 32.636 32.500 0.021 0.000 0.719 49 K HN 0.714 nan 8.250 nan 0.000 0.440 50 D N 0.442 120.895 120.400 0.087 0.000 3.008 50 D HA 0.228 4.871 4.640 0.005 0.000 0.312 50 D C -0.478 175.856 176.300 0.058 0.000 1.361 50 D CA -0.107 53.929 54.000 0.060 0.000 0.858 50 D CB 0.417 41.242 40.800 0.041 0.000 1.098 50 D HN -0.033 nan 8.370 nan 0.000 0.482 51 A N 0.802 123.659 122.820 0.061 0.000 2.303 51 A HA 0.613 4.937 4.320 0.005 0.000 0.317 51 A C 0.720 178.300 177.584 -0.007 0.000 1.149 51 A CA -0.471 51.563 52.037 -0.005 0.000 0.822 51 A CB 1.146 20.103 19.000 -0.071 0.000 1.131 51 A HN 0.214 nan 8.150 nan 0.000 0.493 52 S N 0.706 116.392 115.700 -0.024 0.000 2.719 52 S HA 0.594 5.067 4.470 0.005 0.000 0.285 52 S C 0.257 174.836 174.600 -0.035 0.000 1.137 52 S CA -0.207 57.984 58.200 -0.015 0.000 1.012 52 S CB 0.307 63.507 63.200 -0.001 0.000 1.134 52 S HN 0.761 nan 8.310 nan 0.000 0.544 53 T N 3.533 118.070 114.554 -0.028 0.000 2.934 53 T HA 0.318 4.671 4.350 0.005 0.000 0.306 53 T C -2.347 172.318 174.700 -0.058 0.000 1.042 53 T CA -0.286 61.791 62.100 -0.038 0.000 1.145 53 T CB -0.175 68.672 68.868 -0.034 0.000 0.982 53 T HN 0.521 nan 8.240 nan 0.000 0.544 54 P HA 0.299 nan 4.420 nan 0.000 0.274 54 P C -0.206 177.041 177.300 -0.089 0.000 1.237 54 P CA -0.613 62.438 63.100 -0.082 0.000 0.793 54 P CB 0.528 32.184 31.700 -0.074 0.000 0.977 55 L N 1.354 122.511 121.223 -0.111 0.000 2.421 55 L HA 0.204 4.547 4.340 0.005 0.000 0.263 55 L C 1.646 178.423 176.870 -0.154 0.000 1.122 55 L CA -0.146 54.606 54.840 -0.146 0.000 0.804 55 L CB 0.398 42.342 42.059 -0.191 0.000 1.150 55 L HN 0.475 nan 8.230 nan 0.000 0.457 56 E N 0.343 120.436 120.200 -0.178 0.000 2.170 56 E HA 0.038 4.391 4.350 0.005 0.000 0.191 56 E C -0.232 176.224 176.600 -0.238 0.000 0.981 56 E CA 0.594 56.894 56.400 -0.166 0.000 0.830 56 E CB 0.292 29.910 29.700 -0.136 0.000 0.775 56 E HN 0.490 nan 8.360 nan 0.000 0.470 57 N N 0.569 119.018 118.700 -0.418 0.000 2.352 57 N HA 0.221 4.964 4.740 0.005 0.000 0.291 57 N C -1.012 173.930 175.510 -0.948 0.000 1.040 57 N CA -0.077 52.538 53.050 -0.724 0.000 0.864 57 N CB 2.158 40.030 38.487 -1.025 0.000 1.440 57 N HN 0.020 nan 8.380 nan 0.000 0.483 58 S N -0.430 114.931 115.700 -0.564 0.000 2.727 58 S HA 0.546 5.019 4.470 0.005 0.000 0.278 58 S C -1.474 173.241 174.600 0.191 0.000 1.186 58 S CA -0.644 57.426 58.200 -0.216 0.000 0.836 58 S CB 1.290 64.389 63.200 -0.167 0.000 1.186 58 S HN 0.059 nan 8.310 nan 0.000 0.499 59 V N 1.763 121.747 119.914 0.117 0.000 2.326 59 V HA 0.758 4.881 4.120 0.005 0.000 0.281 59 V C 0.799 176.799 176.094 -0.156 0.000 1.015 59 V CA -0.208 62.078 62.300 -0.024 0.000 0.823 59 V CB 0.362 32.056 31.823 -0.215 0.000 1.009 59 V HN 1.210 nan 8.190 nan 0.000 0.436 60 A N 5.365 128.151 122.820 -0.058 0.000 2.429 60 A HA 0.581 4.904 4.320 0.005 0.000 0.242 60 A C 0.229 177.789 177.584 -0.041 0.000 1.088 60 A CA -0.250 51.764 52.037 -0.038 0.000 0.784 60 A CB 0.143 19.150 19.000 0.011 0.000 1.038 60 A HN 0.806 nan 8.150 nan 0.000 0.501 61 L N 1.031 122.259 121.223 0.008 0.000 2.499 61 L HA 0.079 4.422 4.340 0.005 0.000 0.281 61 L C -1.236 175.665 176.870 0.051 0.000 1.234 61 L CA -1.045 53.822 54.840 0.045 0.000 0.839 61 L CB -0.079 42.033 42.059 0.087 0.000 1.104 61 L HN 0.549 nan 8.230 nan 0.000 0.500 62 P HA -0.156 nan 4.420 nan 0.000 0.215 62 P C 1.347 178.653 177.300 0.011 0.000 1.157 62 P CA 1.247 64.366 63.100 0.033 0.000 0.874 62 P CB 0.187 31.921 31.700 0.057 0.000 0.790 63 S N -1.073 114.686 115.700 0.098 0.000 2.555 63 S HA 0.039 4.512 4.470 0.005 0.000 0.230 63 S C 1.829 176.530 174.600 0.169 0.000 0.978 63 S CA 0.700 59.005 58.200 0.175 0.000 0.934 63 S CB -0.785 62.614 63.200 0.332 0.000 0.766 63 S HN 0.140 nan 8.310 nan 0.000 0.533 64 A N 2.524 125.440 122.820 0.160 0.000 2.178 64 A HA -0.153 4.170 4.320 0.005 0.000 0.218 64 A C 2.019 179.615 177.584 0.021 0.000 1.157 64 A CA 1.323 53.489 52.037 0.215 0.000 0.689 64 A CB -0.508 18.597 19.000 0.175 0.000 0.787 64 A HN 0.683 nan 8.150 nan 0.000 0.465 65 K N -1.246 119.035 120.400 -0.198 0.000 2.209 65 K HA -0.189 4.134 4.320 0.005 0.000 0.204 65 K C 1.069 177.451 176.600 -0.364 0.000 1.048 65 K CA 1.608 57.714 56.287 -0.301 0.000 0.940 65 K CB -0.541 31.713 32.500 -0.410 0.000 0.729 65 K HN 0.480 nan 8.250 nan 0.000 0.451 66 Y N -0.115 120.032 120.300 -0.256 0.000 2.561 66 Y HA 0.067 4.620 4.550 0.005 0.000 0.291 66 Y C 0.666 176.179 175.900 -0.646 0.000 1.141 66 Y CA 0.234 58.021 58.100 -0.521 0.000 1.303 66 Y CB 0.007 37.991 38.460 -0.793 0.000 1.015 66 Y HN -0.001 nan 8.280 nan 0.000 0.547 67 F N -1.389 118.673 119.950 0.186 0.000 2.775 67 F HA 0.529 5.059 4.527 0.005 0.000 0.313 67 F C 1.355 177.210 175.800 0.091 0.000 1.121 67 F CA -0.330 57.769 58.000 0.165 0.000 1.206 67 F CB 0.785 39.950 39.000 0.276 0.000 1.052 67 F HN -0.040 nan 8.300 nan 0.000 0.524 68 G N -0.038 108.849 108.800 0.145 0.000 2.144 68 G HA2 -0.243 3.720 3.960 0.005 0.000 0.218 68 G HA3 -0.243 3.720 3.960 0.005 0.000 0.218 68 G C 0.145 175.092 174.900 0.079 0.000 0.988 68 G CA -0.108 45.047 45.100 0.092 0.000 0.659 68 G HN 0.332 nan 8.290 nan 0.000 0.522 69 D N -0.514 119.938 120.400 0.086 0.000 2.800 69 D HA -0.193 4.450 4.640 0.005 0.000 0.232 69 D C 1.011 177.355 176.300 0.073 0.000 1.137 69 D CA 1.398 55.436 54.000 0.063 0.000 0.718 69 D CB -1.465 39.349 40.800 0.025 0.000 1.084 69 D HN 1.241 nan 8.370 nan 0.000 0.432 70 I N -1.883 118.758 120.570 0.119 0.000 2.634 70 I HA 0.318 4.492 4.170 0.005 0.000 0.284 70 I C 0.363 176.513 176.117 0.054 0.000 1.124 70 I CA 0.117 61.470 61.300 0.088 0.000 1.417 70 I CB 0.853 38.934 38.000 0.135 0.000 1.396 70 I HN -0.268 nan 8.210 nan 0.000 0.571 71 D N 6.958 127.353 120.400 -0.008 0.000 2.443 71 D HA 0.462 5.105 4.640 0.005 0.000 0.281 71 D C -2.594 173.649 176.300 -0.095 0.000 1.210 71 D CA -1.835 52.142 54.000 -0.038 0.000 0.875 71 D CB 0.888 41.661 40.800 -0.046 0.000 1.125 71 D HN 0.339 nan 8.370 nan 0.000 0.503 72 P HA 0.169 nan 4.420 nan 0.000 0.271 72 P C -0.668 176.522 177.300 -0.182 0.000 1.218 72 P CA -0.281 62.648 63.100 -0.286 0.000 0.780 72 P CB 0.646 32.001 31.700 -0.575 0.000 0.901 73 Q N 3.303 123.008 119.800 -0.157 0.000 2.316 73 Q HA 0.386 4.730 4.340 0.005 0.000 0.264 73 Q C -2.263 173.700 176.000 -0.062 0.000 0.987 73 Q CA -2.026 53.726 55.803 -0.084 0.000 0.852 73 Q CB 1.756 30.456 28.738 -0.063 0.000 1.287 73 Q HN 0.373 nan 8.270 nan 0.000 0.448 74 P HA 0.124 nan 4.420 nan 0.000 0.277 74 P C 0.632 177.944 177.300 0.020 0.000 1.276 74 P CA -0.327 62.775 63.100 0.003 0.000 0.788 74 P CB 1.171 32.885 31.700 0.023 0.000 1.114 75 L N -1.204 120.038 121.223 0.031 0.000 2.044 75 L HA 0.053 4.396 4.340 0.005 0.000 0.205 75 L C -1.090 175.827 176.870 0.078 0.000 1.075 75 L CA 0.728 55.594 54.840 0.043 0.000 0.747 75 L CB -2.143 39.934 42.059 0.029 0.000 0.903 75 L HN 0.294 nan 8.230 nan 0.000 0.435 76 P HA 0.034 nan 4.420 nan 0.000 0.272 76 P C -0.359 177.039 177.300 0.164 0.000 1.223 76 P CA 0.011 63.191 63.100 0.133 0.000 0.784 76 P CB 0.809 32.574 31.700 0.108 0.000 0.923 77 V N 4.053 124.120 119.914 0.255 0.000 2.521 77 V HA 0.038 4.161 4.120 0.005 0.000 0.286 77 V C 0.550 176.765 176.094 0.202 0.000 1.034 77 V CA 0.276 62.704 62.300 0.213 0.000 1.045 77 V CB -0.155 31.828 31.823 0.267 0.000 0.974 77 V HN 0.338 nan 8.190 nan 0.000 0.480 78 I N 4.912 125.574 120.570 0.154 0.000 2.359 78 I HA 0.388 4.561 4.170 0.005 0.000 0.294 78 I C 0.412 176.630 176.117 0.169 0.000 0.987 78 I CA -0.021 61.366 61.300 0.144 0.000 1.225 78 I CB 1.634 39.695 38.000 0.100 0.000 1.366 78 I HN 0.574 nan 8.210 nan 0.000 0.466 79 T N 3.355 117.993 114.554 0.139 0.000 2.855 79 T HA 0.495 4.848 4.350 0.005 0.000 0.281 79 T C 0.081 174.787 174.700 0.010 0.000 1.007 79 T CA -0.606 61.528 62.100 0.056 0.000 1.009 79 T CB 2.248 71.096 68.868 -0.033 0.000 0.983 79 T HN 0.585 nan 8.240 nan 0.000 0.455 80 T N 1.933 116.479 114.554 -0.012 0.000 2.876 80 T HA 0.390 4.743 4.350 0.005 0.000 0.289 80 T C -1.193 173.496 174.700 -0.017 0.000 1.014 80 T CA -0.758 61.346 62.100 0.007 0.000 0.986 80 T CB 1.086 69.986 68.868 0.053 0.000 1.021 80 T HN 0.639 nan 8.240 nan 0.000 0.458 81 E N 3.458 123.660 120.200 0.003 0.000 2.134 81 E HA 0.503 4.856 4.350 0.005 0.000 0.278 81 E C -0.745 175.890 176.600 0.058 0.000 0.959 81 E CA -0.447 55.962 56.400 0.015 0.000 0.783 81 E CB 1.557 31.266 29.700 0.015 0.000 1.095 81 E HN 0.460 nan 8.360 nan 0.000 0.399 82 I N 2.639 123.258 120.570 0.080 0.000 2.517 82 I HA 0.481 4.654 4.170 0.005 0.000 0.280 82 I C -0.944 175.256 176.117 0.138 0.000 1.061 82 I CA -0.469 60.903 61.300 0.119 0.000 1.091 82 I CB 1.544 39.629 38.000 0.141 0.000 1.205 82 I HN 0.530 nan 8.210 nan 0.000 0.459 83 A N 3.460 126.359 122.820 0.132 0.000 2.485 83 A HA 0.579 4.902 4.320 0.005 0.000 0.285 83 A C 0.092 177.768 177.584 0.153 0.000 1.045 83 A CA -0.246 51.879 52.037 0.147 0.000 0.792 83 A CB 1.364 20.428 19.000 0.106 0.000 1.307 83 A HN 0.655 nan 8.150 nan 0.000 0.406 84 S N 1.018 116.852 115.700 0.222 0.000 2.589 84 S HA 0.504 4.977 4.470 0.005 0.000 0.235 84 S C 1.287 176.136 174.600 0.415 0.000 1.051 84 S CA 0.911 59.277 58.200 0.277 0.000 0.978 84 S CB 0.585 64.001 63.200 0.360 0.000 0.929 84 S HN 2.643 nan 8.310 nan 0.000 0.523 85 G N 1.484 110.486 108.800 0.337 0.000 2.231 85 G HA2 -0.142 3.821 3.960 0.005 0.000 0.206 85 G HA3 -0.142 3.821 3.960 0.005 0.000 0.206 85 G C 0.014 175.012 174.900 0.163 0.000 0.996 85 G CA -0.451 44.824 45.100 0.292 0.000 0.645 85 G HN 0.491 nan 8.290 nan 0.000 0.498 86 R N 0.547 121.122 120.500 0.125 0.000 2.487 86 R HA 0.411 4.755 4.340 0.005 0.000 0.288 86 R C 1.367 177.658 176.300 -0.014 0.000 1.394 86 R CA -0.338 55.697 56.100 -0.108 0.000 1.155 86 R CB 0.099 30.071 30.300 -0.546 0.000 1.156 86 R HN 0.362 nan 8.270 nan 0.000 0.553 87 F N 2.452 122.419 119.950 0.028 0.000 2.184 87 F HA -0.267 4.264 4.527 0.006 0.000 0.301 87 F C 1.888 177.712 175.800 0.040 0.000 1.076 87 F CA 1.633 59.669 58.000 0.060 0.000 1.295 87 F CB -0.017 39.021 39.000 0.064 0.000 1.026 87 F HN 0.393 nan 8.300 nan 0.000 0.494 88 E N 0.198 119.805 120.200 -0.989 0.000 2.418 88 E HA -0.160 4.193 4.350 0.005 0.000 0.197 88 E C 0.778 177.201 176.600 -0.296 0.000 1.026 88 E CA 1.237 57.167 56.400 -0.783 0.000 0.862 88 E CB -0.561 28.614 29.700 -0.875 0.000 0.799 88 E HN 0.551 nan 8.360 nan 0.000 0.518 89 D N 1.522 121.824 120.400 -0.164 0.000 2.269 89 D HA -0.065 4.578 4.640 0.005 0.000 0.220 89 D C 1.239 177.593 176.300 0.091 0.000 0.962 89 D CA 0.554 54.559 54.000 0.008 0.000 0.884 89 D CB -0.174 40.703 40.800 0.129 0.000 1.023 89 D HN 0.092 nan 8.370 nan 0.000 0.484 90 D N 1.241 121.721 120.400 0.133 0.000 2.239 90 D HA -0.149 4.494 4.640 0.005 0.000 0.202 90 D C 2.103 178.480 176.300 0.128 0.000 0.993 90 D CA 0.382 54.486 54.000 0.173 0.000 0.874 90 D CB -0.245 40.679 40.800 0.207 0.000 0.922 90 D HN 0.294 nan 8.370 nan 0.000 0.464 91 I N 0.372 120.991 120.570 0.083 0.000 2.286 91 I HA -0.238 3.935 4.170 0.005 0.000 0.248 91 I C 2.341 178.477 176.117 0.031 0.000 1.115 91 I CA 0.963 62.302 61.300 0.066 0.000 1.392 91 I CB 0.013 38.038 38.000 0.040 0.000 1.065 91 I HN -0.038 nan 8.210 nan 0.000 0.418 92 R N -0.190 120.309 120.500 -0.001 0.000 2.115 92 R HA -0.108 4.235 4.340 0.005 0.000 0.226 92 R C 2.356 178.603 176.300 -0.088 0.000 1.100 92 R CA 0.750 56.815 56.100 -0.059 0.000 0.980 92 R CB -0.225 30.015 30.300 -0.101 0.000 0.875 92 R HN 0.301 nan 8.270 nan 0.000 0.445 93 R N 0.593 121.073 120.500 -0.034 0.000 2.093 93 R HA 0.027 4.371 4.340 0.005 0.000 0.224 93 R C 2.140 178.468 176.300 0.047 0.000 1.101 93 R CA 0.939 57.033 56.100 -0.009 0.000 0.979 93 R CB 0.043 30.453 30.300 0.184 0.000 0.877 93 R HN 0.147 nan 8.270 nan 0.000 0.441 94 M N -0.333 119.314 119.600 0.079 0.000 2.108 94 M HA -0.198 4.286 4.480 0.005 0.000 0.261 94 M C 2.409 178.772 176.300 0.105 0.000 1.066 94 M CA 1.660 57.022 55.300 0.102 0.000 1.107 94 M CB -0.303 32.366 32.600 0.114 0.000 1.356 94 M HN 0.094 nan 8.290 nan 0.000 0.406 95 R N 0.579 121.125 120.500 0.076 0.000 2.083 95 R HA -0.151 4.193 4.340 0.005 0.000 0.237 95 R C 2.073 178.450 176.300 0.129 0.000 1.137 95 R CA 1.777 57.944 56.100 0.111 0.000 0.951 95 R CB -0.146 30.175 30.300 0.035 0.000 0.851 95 R HN 0.339 nan 8.270 nan 0.000 0.434 96 M N -0.170 119.440 119.600 0.017 0.000 2.082 96 M HA -0.182 4.301 4.480 0.005 0.000 0.258 96 M C 2.506 178.886 176.300 0.133 0.000 1.071 96 M CA 2.137 57.439 55.300 0.004 0.000 1.103 96 M CB -0.413 32.128 32.600 -0.099 0.000 1.307 96 M HN 0.283 nan 8.290 nan 0.000 0.409 97 A N 0.138 123.022 122.820 0.106 0.000 1.972 97 A HA -0.012 4.311 4.320 0.005 0.000 0.219 97 A C 2.352 180.063 177.584 0.210 0.000 1.169 97 A CA 1.840 53.960 52.037 0.138 0.000 0.635 97 A CB -0.905 18.159 19.000 0.107 0.000 0.810 97 A HN 0.542 nan 8.150 nan 0.000 0.446 98 A N -1.534 121.420 122.820 0.223 0.000 1.930 98 A HA -0.079 4.244 4.320 0.005 0.000 0.217 98 A C 1.875 179.585 177.584 0.210 0.000 1.175 98 A CA 1.257 53.410 52.037 0.192 0.000 0.627 98 A CB -0.777 18.325 19.000 0.170 0.000 0.815 98 A HN 0.697 nan 8.150 nan 0.000 0.443 99 W N -0.306 121.047 121.300 0.088 0.000 2.363 99 W HA -0.088 4.576 4.660 0.006 0.000 0.296 99 W C 2.005 178.580 176.519 0.092 0.000 1.212 99 W CA 1.472 58.869 57.345 0.086 0.000 1.260 99 W CB -0.433 29.092 29.460 0.109 0.000 1.131 99 W HN 0.491 nan 8.180 nan 0.000 0.530 100 H N -1.143 118.065 119.070 0.230 0.000 2.547 100 H HA 0.204 4.763 4.556 0.005 0.000 0.274 100 H C 1.653 177.036 175.328 0.091 0.000 1.024 100 H CA 0.763 56.896 56.048 0.142 0.000 1.155 100 H CB -0.045 29.790 29.762 0.122 0.000 1.344 100 H HN 0.313 nan 8.280 nan 0.000 0.598 101 G N 0.319 109.208 108.800 0.149 0.000 2.231 101 G HA2 -0.225 3.738 3.960 0.005 0.000 0.206 101 G HA3 -0.225 3.738 3.960 0.005 0.000 0.206 101 G C 0.468 175.414 174.900 0.077 0.000 0.996 101 G CA -0.118 45.028 45.100 0.076 0.000 0.645 101 G HN 0.541 nan 8.290 nan 0.000 0.498 102 A N 1.223 124.107 122.820 0.108 0.000 2.488 102 A HA 0.526 4.850 4.320 0.005 0.000 0.249 102 A C 0.873 178.499 177.584 0.070 0.000 1.083 102 A CA 1.050 53.144 52.037 0.095 0.000 0.768 102 A CB 0.226 19.291 19.000 0.107 0.000 1.017 102 A HN 0.834 nan 8.150 nan 0.000 0.496 103 D N 0.715 121.152 120.400 0.062 0.000 2.636 103 D HA 0.093 4.736 4.640 0.005 0.000 0.270 103 D C -0.207 176.112 176.300 0.032 0.000 1.430 103 D CA 0.119 54.125 54.000 0.010 0.000 0.796 103 D CB -0.546 40.222 40.800 -0.053 0.000 1.117 103 D HN 0.706 nan 8.370 nan 0.000 0.480 104 H N 0.495 119.550 119.070 -0.025 0.000 3.224 104 H HA 0.301 4.860 4.556 0.005 0.000 0.331 104 H C -1.386 173.971 175.328 0.050 0.000 1.002 104 H CA -0.631 55.415 56.048 -0.004 0.000 1.473 104 H CB 1.143 30.931 29.762 0.044 0.000 1.830 104 H HN -0.139 nan 8.280 nan 0.000 0.485 105 I N 5.697 126.322 120.570 0.092 0.000 2.362 105 I HA 0.249 4.422 4.170 0.005 0.000 0.289 105 I C -0.100 175.988 176.117 -0.049 0.000 0.994 105 I CA -0.506 60.820 61.300 0.043 0.000 1.158 105 I CB 1.433 39.540 38.000 0.178 0.000 1.315 105 I HN 0.640 nan 8.210 nan 0.000 0.451 106 M N 6.440 125.976 119.600 -0.106 0.000 2.167 106 M HA 0.448 4.931 4.480 0.005 0.000 0.333 106 M C -1.205 175.110 176.300 0.024 0.000 1.030 106 M CA -0.591 54.644 55.300 -0.108 0.000 0.963 106 M CB 1.665 34.139 32.600 -0.210 0.000 1.589 106 M HN 0.266 nan 8.290 nan 0.000 0.431 107 V N 6.869 126.813 119.914 0.049 0.000 2.294 107 V HA 0.344 4.467 4.120 0.005 0.000 0.272 107 V C 0.300 176.517 176.094 0.205 0.000 1.027 107 V CA -0.662 61.705 62.300 0.110 0.000 0.823 107 V CB 0.630 32.504 31.823 0.085 0.000 1.030 107 V HN 0.753 nan 8.190 nan 0.000 0.457 108 I N 4.320 124.962 120.570 0.120 0.000 2.813 108 I HA 0.184 4.357 4.170 0.005 0.000 0.287 108 I C 0.990 177.030 176.117 -0.129 0.000 1.196 108 I CA -0.048 61.171 61.300 -0.135 0.000 1.421 108 I CB 0.219 38.109 38.000 -0.183 0.000 1.365 108 I HN 0.513 nan 8.210 nan 0.000 0.591 109 R N 2.344 122.676 120.500 -0.280 0.000 2.577 109 R HA 0.265 4.608 4.340 0.005 0.000 0.269 109 R C 0.087 176.313 176.300 -0.123 0.000 1.084 109 R CA -0.534 55.475 56.100 -0.153 0.000 1.163 109 R CB 0.654 30.839 30.300 -0.191 0.000 1.100 109 R HN 0.556 nan 8.270 nan 0.000 0.547 110 T N 1.243 115.749 114.554 -0.080 0.000 2.916 110 T HA 0.128 4.481 4.350 0.005 0.000 0.303 110 T C 0.042 174.693 174.700 -0.082 0.000 1.025 110 T CA -0.212 61.864 62.100 -0.040 0.000 1.142 110 T CB 0.368 69.246 68.868 0.016 0.000 0.947 110 T HN 0.621 nan 8.240 nan 0.000 0.544 111 A N 3.333 126.139 122.820 -0.023 0.000 2.600 111 A HA 0.361 4.684 4.320 0.005 0.000 0.253 111 A C 1.705 179.288 177.584 -0.001 0.000 0.997 111 A CA 0.623 52.654 52.037 -0.010 0.000 0.820 111 A CB -1.098 17.921 19.000 0.031 0.000 0.888 111 A HN 1.900 nan 8.150 nan 0.000 0.508 112 G N 1.622 110.418 108.800 -0.008 0.000 2.168 112 G HA2 -0.396 3.567 3.960 0.005 0.000 0.263 112 G HA3 -0.396 3.567 3.960 0.005 0.000 0.263 112 G C 0.897 175.755 174.900 -0.071 0.000 0.977 112 G CA 1.059 46.202 45.100 0.070 0.000 0.659 112 G HN 1.201 nan 8.290 nan 0.000 0.533 113 Q N 0.286 119.858 119.800 -0.380 0.000 2.308 113 Q HA -0.086 4.257 4.340 0.005 0.000 0.209 113 Q C 2.539 178.291 176.000 -0.413 0.000 0.985 113 Q CA 1.860 57.148 55.803 -0.859 0.000 0.881 113 Q CB -0.321 27.975 28.738 -0.737 0.000 0.917 113 Q HN 0.562 nan 8.270 nan 0.000 0.443 114 S N -0.365 115.198 115.700 -0.228 0.000 2.420 114 S HA -0.169 4.304 4.470 0.005 0.000 0.237 114 S C 1.242 175.727 174.600 -0.191 0.000 1.023 114 S CA 1.056 59.140 58.200 -0.194 0.000 0.991 114 S CB -0.276 62.799 63.200 -0.208 0.000 0.792 114 S HN 0.571 nan 8.310 nan 0.000 0.488 115 H N -0.979 118.128 119.070 0.063 0.000 2.551 115 H HA 0.114 4.673 4.556 0.005 0.000 0.266 115 H C -0.313 175.172 175.328 0.262 0.000 0.964 115 H CA 0.161 56.294 56.048 0.142 0.000 1.180 115 H CB -0.076 29.767 29.762 0.134 0.000 1.408 115 H HN 0.331 nan 8.280 nan 0.000 0.563 116 Y N 2.115 122.469 120.300 0.091 0.000 2.784 116 Y HA -0.040 4.513 4.550 0.005 0.000 0.355 116 Y C 0.839 176.758 175.900 0.030 0.000 1.198 116 Y CA -0.764 57.366 58.100 0.051 0.000 1.588 116 Y CB -0.500 37.977 38.460 0.028 0.000 1.220 116 Y HN 0.037 nan 8.280 nan 0.000 0.517 117 D N 2.592 123.090 120.400 0.162 0.000 2.671 117 D HA 0.397 5.040 4.640 0.005 0.000 0.228 117 D C 0.465 176.811 176.300 0.075 0.000 1.102 117 D CA 0.680 54.740 54.000 0.099 0.000 1.044 117 D CB -0.521 40.326 40.800 0.078 0.000 1.113 117 D HN 0.793 nan 8.370 nan 0.000 0.480 118 G N 0.767 109.617 108.800 0.084 0.000 2.333 118 G HA2 0.020 3.983 3.960 0.005 0.000 0.330 118 G HA3 0.020 3.983 3.960 0.005 0.000 0.330 118 G C -0.705 174.241 174.900 0.075 0.000 1.465 118 G CA -1.036 44.099 45.100 0.058 0.000 0.996 118 G HN 0.264 nan 8.290 nan 0.000 0.655 119 L N 0.655 121.904 121.223 0.045 0.000 2.503 119 L HA 0.409 4.752 4.340 0.005 0.000 0.287 119 L C 1.326 178.241 176.870 0.074 0.000 1.252 119 L CA 0.057 54.926 54.840 0.049 0.000 0.835 119 L CB 0.249 42.323 42.059 0.025 0.000 1.099 119 L HN 0.695 nan 8.230 nan 0.000 0.516 120 I N -2.020 118.608 120.570 0.097 0.000 3.067 120 I HA 0.627 4.800 4.170 0.005 0.000 0.312 120 I C -0.831 175.306 176.117 0.034 0.000 1.073 120 I CA -0.865 60.481 61.300 0.078 0.000 1.016 120 I CB 2.312 40.401 38.000 0.149 0.000 1.227 120 I HN 0.459 nan 8.210 nan 0.000 0.456 121 E N 1.411 121.612 120.200 0.002 0.000 2.343 121 E HA 0.602 4.955 4.350 0.005 0.000 0.270 121 E C -0.080 176.491 176.600 -0.049 0.000 0.895 121 E CA -0.173 56.199 56.400 -0.047 0.000 0.767 121 E CB 2.055 31.709 29.700 -0.077 0.000 1.248 121 E HN 1.135 nan 8.360 nan 0.000 0.440 122 G N 1.209 109.956 108.800 -0.088 0.000 2.593 122 G HA2 -0.250 3.713 3.960 0.005 0.000 0.237 122 G HA3 -0.250 3.713 3.960 0.005 0.000 0.237 122 G C -0.148 174.735 174.900 -0.030 0.000 1.312 122 G CA -0.006 45.058 45.100 -0.061 0.000 0.896 122 G HN 0.825 nan 8.290 nan 0.000 0.574 123 T N -1.073 113.497 114.554 0.027 0.000 3.504 123 T HA 0.645 4.998 4.350 0.005 0.000 0.286 123 T C -2.636 172.131 174.700 0.112 0.000 1.530 123 T CA -0.748 61.407 62.100 0.091 0.000 1.652 123 T CB 1.834 70.856 68.868 0.257 0.000 0.895 123 T HN 0.539 nan 8.240 nan 0.000 0.674 124 P HA 0.244 nan 4.420 nan 0.000 0.275 124 P C -0.013 177.336 177.300 0.080 0.000 1.228 124 P CA -0.408 62.732 63.100 0.068 0.000 0.786 124 P CB 0.570 32.311 31.700 0.067 0.000 0.927 125 Q N 1.245 121.072 119.800 0.045 0.000 2.349 125 Q HA 0.310 4.653 4.340 0.005 0.000 0.287 125 Q C 0.329 176.376 176.000 0.078 0.000 1.044 125 Q CA 0.365 56.185 55.803 0.028 0.000 0.918 125 Q CB 0.033 28.760 28.738 -0.017 0.000 1.242 125 Q HN 0.639 nan 8.270 nan 0.000 0.405 126 G N 2.587 111.449 108.800 0.103 0.000 2.511 126 G HA2 0.529 4.492 3.960 0.005 0.000 0.316 126 G HA3 0.529 4.492 3.960 0.005 0.000 0.316 126 G C -1.334 173.651 174.900 0.141 0.000 1.210 126 G CA -0.582 44.592 45.100 0.124 0.000 0.969 126 G HN 0.721 nan 8.290 nan 0.000 0.492 127 I N -1.286 119.355 120.570 0.119 0.000 2.500 127 I HA 0.600 4.773 4.170 0.005 0.000 0.286 127 I C 0.651 176.814 176.117 0.077 0.000 1.063 127 I CA 0.240 61.608 61.300 0.115 0.000 1.062 127 I CB 1.386 39.445 38.000 0.098 0.000 1.223 127 I HN 1.411 nan 8.210 nan 0.000 0.435 128 G N 3.923 112.768 108.800 0.075 0.000 2.168 128 G HA2 0.207 4.170 3.960 0.005 0.000 0.257 128 G HA3 0.207 4.170 3.960 0.005 0.000 0.257 128 G C 0.554 175.467 174.900 0.021 0.000 0.997 128 G CA 0.286 45.407 45.100 0.035 0.000 0.708 128 G HN 2.013 nan 8.290 nan 0.000 0.520 129 G N -2.913 105.922 108.800 0.058 0.000 2.315 129 G HA2 0.546 4.509 3.960 0.005 0.000 0.294 129 G HA3 0.546 4.509 3.960 0.005 0.000 0.294 129 G C -1.252 173.701 174.900 0.089 0.000 1.300 129 G CA 0.102 45.229 45.100 0.045 0.000 0.843 129 G HN 1.144 nan 8.290 nan 0.000 0.527 130 V N 1.601 121.567 119.914 0.086 0.000 2.435 130 V HA 0.545 4.668 4.120 0.005 0.000 0.290 130 V C -2.097 174.047 176.094 0.083 0.000 1.030 130 V CA -1.509 60.864 62.300 0.121 0.000 0.881 130 V CB 2.109 34.031 31.823 0.165 0.000 0.983 130 V HN 0.531 nan 8.190 nan 0.000 0.445 131 P HA 0.207 nan 4.420 nan 0.000 0.275 131 P C -0.472 176.872 177.300 0.074 0.000 1.276 131 P CA -0.274 62.874 63.100 0.081 0.000 0.782 131 P CB 0.059 31.831 31.700 0.120 0.000 0.851 132 I N 4.410 125.025 120.570 0.074 0.000 2.494 132 I HA 0.110 4.283 4.170 0.005 0.000 0.289 132 I C 1.085 177.267 176.117 0.109 0.000 1.106 132 I CA 0.744 62.118 61.300 0.122 0.000 1.369 132 I CB -0.724 37.390 38.000 0.190 0.000 1.410 132 I HN 0.346 nan 8.210 nan 0.000 0.523 133 T N 2.908 117.507 114.554 0.076 0.000 2.896 133 T HA 0.399 4.752 4.350 0.005 0.000 0.297 133 T C 0.966 175.701 174.700 0.059 0.000 1.108 133 T CA -0.931 61.199 62.100 0.049 0.000 1.004 133 T CB 2.163 71.025 68.868 -0.010 0.000 1.159 133 T HN 0.597 nan 8.240 nan 0.000 0.499 134 R N 0.647 121.186 120.500 0.066 0.000 2.185 134 R HA -0.159 4.184 4.340 0.005 0.000 0.247 134 R C 2.034 178.399 176.300 0.109 0.000 1.159 134 R CA 1.838 58.005 56.100 0.111 0.000 0.988 134 R CB -0.163 30.198 30.300 0.102 0.000 0.871 134 R HN 0.754 nan 8.270 nan 0.000 0.458 135 K N -0.164 120.237 120.400 0.002 0.000 2.044 135 K HA -0.141 4.182 4.320 0.005 0.000 0.204 135 K C 2.179 178.691 176.600 -0.147 0.000 1.049 135 K CA 1.135 57.431 56.287 0.015 0.000 0.945 135 K CB -0.054 32.404 32.500 -0.071 0.000 0.724 135 K HN 0.117 nan 8.250 nan 0.000 0.440 136 Q N 1.106 120.711 119.800 -0.324 0.000 2.119 136 Q HA -0.101 4.242 4.340 0.005 0.000 0.201 136 Q C 1.878 177.716 176.000 -0.269 0.000 0.972 136 Q CA 1.396 56.809 55.803 -0.650 0.000 0.847 136 Q CB -0.124 28.191 28.738 -0.706 0.000 0.903 136 Q HN 0.198 nan 8.270 nan 0.000 0.433 137 V N 1.350 121.232 119.914 -0.053 0.000 2.295 137 V HA -0.220 3.903 4.120 0.005 0.000 0.246 137 V C 2.695 178.742 176.094 -0.078 0.000 1.049 137 V CA 2.114 64.446 62.300 0.052 0.000 1.024 137 V CB -0.606 31.327 31.823 0.184 0.000 0.648 137 V HN 0.328 nan 8.190 nan 0.000 0.447 138 R N -0.433 120.048 120.500 -0.031 0.000 2.096 138 R HA -0.122 4.221 4.340 0.005 0.000 0.235 138 R C 2.395 178.507 176.300 -0.313 0.000 1.127 138 R CA 1.377 57.415 56.100 -0.104 0.000 0.968 138 R CB -0.501 29.837 30.300 0.063 0.000 0.861 138 R HN 0.558 nan 8.270 nan 0.000 0.440 139 A N 1.013 123.717 122.820 -0.194 0.000 1.841 139 A HA -0.260 4.064 4.320 0.005 0.000 0.216 139 A C 2.038 179.532 177.584 -0.150 0.000 1.199 139 A CA 1.466 53.432 52.037 -0.118 0.000 0.621 139 A CB -0.647 18.388 19.000 0.059 0.000 0.835 139 A HN 0.346 nan 8.150 nan 0.000 0.445 140 Q N -1.493 118.222 119.800 -0.142 0.000 2.096 140 Q HA -0.225 4.119 4.340 0.005 0.000 0.204 140 Q C 2.381 178.137 176.000 -0.407 0.000 0.982 140 Q CA 1.813 57.497 55.803 -0.199 0.000 0.850 140 Q CB -0.183 28.471 28.738 -0.141 0.000 0.901 140 Q HN 0.542 nan 8.270 nan 0.000 0.422 141 R N 1.397 121.572 120.500 -0.541 0.000 2.115 141 R HA -0.102 4.241 4.340 0.005 0.000 0.230 141 R C 1.892 178.055 176.300 -0.228 0.000 1.111 141 R CA 1.550 57.385 56.100 -0.442 0.000 0.976 141 R CB -0.124 30.005 30.300 -0.285 0.000 0.870 141 R HN 0.091 nan 8.270 nan 0.000 0.445 142 K N -0.505 119.639 120.400 -0.427 0.000 2.025 142 K HA -0.066 4.257 4.320 0.005 0.000 0.207 142 K C 1.844 178.345 176.600 -0.165 0.000 1.049 142 K CA 1.425 57.456 56.287 -0.427 0.000 0.933 142 K CB -0.252 31.730 32.500 -0.863 0.000 0.714 142 K HN 0.209 nan 8.250 nan 0.000 0.438 143 A N 1.452 124.177 122.820 -0.159 0.000 1.902 143 A HA -0.118 4.205 4.320 0.005 0.000 0.217 143 A C 2.128 179.686 177.584 -0.042 0.000 1.181 143 A CA 1.312 53.307 52.037 -0.070 0.000 0.623 143 A CB -0.651 18.324 19.000 -0.042 0.000 0.818 143 A HN 0.343 nan 8.150 nan 0.000 0.443 144 L N -0.520 120.657 121.223 -0.077 0.000 2.191 144 L HA -0.184 4.160 4.340 0.005 0.000 0.212 144 L C 1.856 178.716 176.870 -0.018 0.000 1.103 144 L CA 1.175 55.990 54.840 -0.041 0.000 0.769 144 L CB -0.653 41.360 42.059 -0.076 0.000 0.908 144 L HN 0.290 nan 8.230 nan 0.000 0.438 145 D N 0.133 120.525 120.400 -0.013 0.000 2.178 145 D HA -0.151 4.492 4.640 0.005 0.000 0.201 145 D C 2.286 178.598 176.300 0.020 0.000 0.980 145 D CA 1.180 55.193 54.000 0.021 0.000 0.842 145 D CB -0.014 40.833 40.800 0.079 0.000 0.948 145 D HN 0.257 nan 8.370 nan 0.000 0.472 146 L N -0.099 121.136 121.223 0.020 0.000 2.084 146 L HA 0.002 4.345 4.340 0.005 0.000 0.202 146 L C 2.403 179.298 176.870 0.042 0.000 1.074 146 L CA 0.461 55.319 54.840 0.030 0.000 0.757 146 L CB -0.201 41.876 42.059 0.029 0.000 0.918 146 L HN -0.028 nan 8.230 nan 0.000 0.444 147 I N 0.380 120.981 120.570 0.051 0.000 2.151 147 I HA -0.350 3.823 4.170 0.005 0.000 0.243 147 I C 2.663 178.802 176.117 0.037 0.000 1.080 147 I CA 2.014 63.363 61.300 0.082 0.000 1.339 147 I CB -0.554 37.504 38.000 0.097 0.000 1.039 147 I HN 0.426 nan 8.210 nan 0.000 0.409 148 E N 1.469 121.674 120.200 0.009 0.000 2.153 148 E HA -0.271 4.082 4.350 0.005 0.000 0.194 148 E C 1.825 178.402 176.600 -0.039 0.000 0.988 148 E CA 1.446 57.831 56.400 -0.025 0.000 0.811 148 E CB -0.372 29.308 29.700 -0.034 0.000 0.746 148 E HN 0.567 nan 8.360 nan 0.000 0.466 149 E N 1.111 121.299 120.200 -0.019 0.000 2.051 149 E HA -0.223 4.130 4.350 0.005 0.000 0.192 149 E C 2.076 178.654 176.600 -0.037 0.000 0.991 149 E CA 1.371 57.757 56.400 -0.024 0.000 0.799 149 E CB -0.067 29.630 29.700 -0.005 0.000 0.748 149 E HN 0.402 nan 8.360 nan 0.000 0.449 150 E N 0.443 120.636 120.200 -0.010 0.000 2.021 150 E HA -0.232 4.121 4.350 0.005 0.000 0.200 150 E C 2.248 178.745 176.600 -0.171 0.000 1.015 150 E CA 2.160 58.551 56.400 -0.016 0.000 0.824 150 E CB -0.059 29.714 29.700 0.122 0.000 0.762 150 E HN 0.235 nan 8.360 nan 0.000 0.454 151 V N -2.109 117.661 119.914 -0.241 0.000 2.759 151 V HA 0.105 4.228 4.120 0.005 0.000 0.256 151 V C 1.455 177.397 176.094 -0.254 0.000 1.080 151 V CA 1.473 63.533 62.300 -0.400 0.000 1.101 151 V CB -0.547 31.052 31.823 -0.374 0.000 0.698 151 V HN 0.542 nan 8.190 nan 0.000 0.477 152 G N -0.172 108.533 108.800 -0.159 0.000 2.132 152 G HA2 -0.232 3.731 3.960 0.005 0.000 0.228 152 G HA3 -0.232 3.731 3.960 0.005 0.000 0.228 152 G C 0.102 174.941 174.900 -0.101 0.000 1.000 152 G CA 0.326 45.355 45.100 -0.118 0.000 0.693 152 G HN 0.856 nan 8.290 nan 0.000 0.515 153 R N 0.101 120.541 120.500 -0.100 0.000 2.584 153 R HA 0.473 4.816 4.340 0.005 0.000 0.276 153 R C -2.911 173.334 176.300 -0.092 0.000 1.046 153 R CA -1.746 54.299 56.100 -0.092 0.000 0.906 153 R CB 2.574 32.817 30.300 -0.095 0.000 1.215 153 R HN 0.058 nan 8.270 nan 0.000 0.449 154 P HA 0.223 nan 4.420 nan 0.000 0.276 154 P C -0.466 176.745 177.300 -0.148 0.000 1.230 154 P CA 0.001 63.031 63.100 -0.118 0.000 0.776 154 P CB 0.801 32.418 31.700 -0.138 0.000 0.888 155 I N 3.075 123.575 120.570 -0.116 0.000 2.377 155 I HA 0.232 4.405 4.170 0.005 0.000 0.293 155 I C 0.612 176.657 176.117 -0.121 0.000 0.987 155 I CA -0.715 60.525 61.300 -0.099 0.000 1.185 155 I CB 1.033 39.023 38.000 -0.015 0.000 1.341 155 I HN 0.157 nan 8.210 nan 0.000 0.455 156 N N 5.591 124.170 118.700 -0.201 0.000 2.411 156 N HA 0.100 4.843 4.740 0.005 0.000 0.259 156 N C -0.986 174.625 175.510 0.169 0.000 1.103 156 N CA -0.189 52.741 53.050 -0.201 0.000 0.954 156 N CB 1.062 39.090 38.487 -0.765 0.000 1.085 156 N HN 0.415 nan 8.380 nan 0.000 0.485 157 Y N 2.200 122.524 120.300 0.040 0.000 2.313 157 Y HA 0.240 4.793 4.550 0.005 0.000 0.332 157 Y C -0.501 175.474 175.900 0.124 0.000 1.071 157 Y CA -0.449 57.699 58.100 0.079 0.000 1.169 157 Y CB 0.509 38.971 38.460 0.004 0.000 1.192 157 Y HN 0.545 nan 8.280 nan 0.000 0.487 158 H N 3.307 122.094 119.070 -0.471 0.000 2.856 158 H HA 0.573 5.132 4.556 0.005 0.000 0.355 158 H C -1.157 173.906 175.328 -0.442 0.000 1.079 158 H CA -0.287 55.585 56.048 -0.293 0.000 1.240 158 H CB 1.669 31.471 29.762 0.067 0.000 1.701 158 H HN 0.720 nan 8.280 nan 0.000 0.527 159 S N 2.478 118.001 115.700 -0.296 0.000 3.121 159 S HA 0.470 4.943 4.470 0.005 0.000 0.324 159 S C -1.811 172.833 174.600 0.074 0.000 1.192 159 S CA -0.540 57.674 58.200 0.024 0.000 0.937 159 S CB 0.576 63.810 63.200 0.055 0.000 1.336 159 S HN 0.513 nan 8.310 nan 0.000 0.664 160 Y N 0.187 120.649 120.300 0.270 0.000 2.429 160 Y HA 0.573 5.126 4.550 0.005 0.000 0.342 160 Y C 0.481 176.446 175.900 0.108 0.000 1.004 160 Y CA -0.671 57.522 58.100 0.156 0.000 1.075 160 Y CB 1.857 40.290 38.460 -0.044 0.000 1.214 160 Y HN 0.262 nan 8.280 nan 0.000 0.455 161 V N 0.892 120.896 119.914 0.151 0.000 3.380 161 V HA 0.085 4.208 4.120 0.005 0.000 0.307 161 V C 0.254 176.341 176.094 -0.012 0.000 1.434 161 V CA -0.026 62.254 62.300 -0.033 0.000 1.075 161 V CB 0.009 31.818 31.823 -0.024 0.000 0.954 161 V HN 0.709 nan 8.190 nan 0.000 0.444 162 S N 0.773 116.503 115.700 0.051 0.000 2.600 162 S HA 0.658 5.131 4.470 0.005 0.000 0.265 162 S C 0.631 175.243 174.600 0.021 0.000 1.325 162 S CA 0.637 58.874 58.200 0.062 0.000 1.002 162 S CB 1.236 64.501 63.200 0.109 0.000 0.921 162 S HN 0.940 nan 8.310 nan 0.000 0.554 163 G N -0.677 108.135 108.800 0.019 0.000 2.331 163 G HA2 -0.072 3.891 3.960 0.005 0.000 0.479 163 G HA3 -0.072 3.891 3.960 0.005 0.000 0.479 163 G C 0.222 175.092 174.900 -0.050 0.000 1.262 163 G CA -0.319 44.751 45.100 -0.049 0.000 1.029 163 G HN 1.375 nan 8.290 nan 0.000 0.487 164 V N -2.996 116.892 119.914 -0.043 0.000 3.623 164 V HA 0.629 4.752 4.120 0.005 0.000 0.271 164 V C 1.503 177.601 176.094 0.006 0.000 1.248 164 V CA 1.866 64.160 62.300 -0.009 0.000 1.156 164 V CB 0.272 32.108 31.823 0.021 0.000 0.870 164 V HN 2.324 nan 8.190 nan 0.000 0.453 165 A N 0.427 123.244 122.820 -0.005 0.000 2.985 165 A HA 0.709 5.032 4.320 0.005 0.000 0.303 165 A C 1.606 179.163 177.584 -0.046 0.000 1.048 165 A CA 0.335 52.368 52.037 -0.007 0.000 1.016 165 A CB -0.218 18.790 19.000 0.012 0.000 1.118 165 A HN 0.492 nan 8.150 nan 0.000 0.529 166 G N 1.600 110.372 108.800 -0.047 0.000 2.514 166 G HA2 -0.175 3.788 3.960 0.005 0.000 0.217 166 G HA3 -0.175 3.788 3.960 0.005 0.000 0.217 166 G C -0.328 174.529 174.900 -0.073 0.000 1.198 166 G CA 1.537 46.596 45.100 -0.068 0.000 0.780 166 G HN 0.466 nan 8.290 nan 0.000 0.565 167 P HA -0.034 nan 4.420 nan 0.000 0.215 167 P C 0.983 178.265 177.300 -0.029 0.000 1.157 167 P CA 1.582 64.671 63.100 -0.018 0.000 0.868 167 P CB -0.086 31.623 31.700 0.015 0.000 0.788 168 D N -0.475 119.907 120.400 -0.030 0.000 2.108 168 D HA -0.173 4.470 4.640 0.005 0.000 0.190 168 D C 1.917 178.166 176.300 -0.085 0.000 0.995 168 D CA 1.204 55.185 54.000 -0.033 0.000 0.834 168 D CB -0.951 39.837 40.800 -0.019 0.000 0.967 168 D HN 0.156 nan 8.370 nan 0.000 0.446 169 I N 0.785 121.252 120.570 -0.172 0.000 2.226 169 I HA -0.251 3.922 4.170 0.005 0.000 0.245 169 I C 2.442 178.276 176.117 -0.471 0.000 1.100 169 I CA 0.959 62.027 61.300 -0.386 0.000 1.374 169 I CB -0.408 37.265 38.000 -0.546 0.000 1.057 169 I HN -0.017 nan 8.210 nan 0.000 0.413 170 A N 0.818 123.478 122.820 -0.268 0.000 1.883 170 A HA -0.169 4.154 4.320 0.005 0.000 0.217 170 A C 2.479 180.092 177.584 0.048 0.000 1.186 170 A CA 1.933 53.920 52.037 -0.084 0.000 0.624 170 A CB -1.039 17.946 19.000 -0.025 0.000 0.822 170 A HN 0.228 nan 8.150 nan 0.000 0.444 171 V N 0.046 119.969 119.914 0.016 0.000 2.219 171 V HA -0.378 3.745 4.120 0.005 0.000 0.248 171 V C 2.594 178.751 176.094 0.105 0.000 1.053 171 V CA 2.437 64.762 62.300 0.042 0.000 1.009 171 V CB -0.733 31.096 31.823 0.010 0.000 0.636 171 V HN 0.710 nan 8.190 nan 0.000 0.445 172 M N -0.883 118.777 119.600 0.101 0.000 2.073 172 M HA -0.243 4.240 4.480 0.005 0.000 0.258 172 M C 2.263 178.768 176.300 0.343 0.000 1.070 172 M CA 2.376 57.787 55.300 0.184 0.000 1.103 172 M CB -0.602 32.094 32.600 0.160 0.000 1.321 172 M HN 0.329 nan 8.290 nan 0.000 0.405 173 F N 0.694 120.701 119.950 0.095 0.000 2.045 173 F HA -0.260 4.270 4.527 0.005 0.000 0.297 173 F C 2.862 178.744 175.800 0.137 0.000 1.114 173 F CA 1.588 59.654 58.000 0.109 0.000 1.207 173 F CB -1.807 37.235 39.000 0.071 0.000 0.964 173 F HN 0.307 nan 8.300 nan 0.000 0.486 174 A N -0.352 122.683 122.820 0.357 0.000 1.892 174 A HA -0.255 4.068 4.320 0.005 0.000 0.218 174 A C 2.174 179.951 177.584 0.322 0.000 1.188 174 A CA 2.028 54.268 52.037 0.339 0.000 0.631 174 A CB -1.000 18.212 19.000 0.352 0.000 0.822 174 A HN 0.483 nan 8.150 nan 0.000 0.447 175 E N -0.325 120.026 120.200 0.251 0.000 2.049 175 E HA -0.185 4.168 4.350 0.005 0.000 0.198 175 E C 1.481 178.194 176.600 0.189 0.000 1.007 175 E CA 1.350 57.872 56.400 0.204 0.000 0.809 175 E CB -0.145 29.645 29.700 0.151 0.000 0.749 175 E HN 0.576 nan 8.360 nan 0.000 0.450 176 E N -0.435 119.885 120.200 0.199 0.000 2.494 176 E HA 0.051 4.404 4.350 0.005 0.000 0.193 176 E C 0.582 177.278 176.600 0.160 0.000 1.074 176 E CA 0.560 57.071 56.400 0.185 0.000 0.867 176 E CB 0.592 30.421 29.700 0.215 0.000 0.924 176 E HN 0.386 nan 8.360 nan 0.000 0.502 177 G N 1.396 110.286 108.800 0.149 0.000 2.289 177 G HA2 -0.262 3.701 3.960 0.005 0.000 0.280 177 G HA3 -0.262 3.701 3.960 0.005 0.000 0.280 177 G C 0.178 175.142 174.900 0.107 0.000 1.089 177 G CA 0.179 45.345 45.100 0.110 0.000 0.939 177 G HN 0.153 nan 8.290 nan 0.000 0.499 178 V N 0.302 120.275 119.914 0.097 0.000 2.408 178 V HA 0.195 4.318 4.120 0.005 0.000 0.267 178 V C 1.336 177.441 176.094 0.018 0.000 1.047 178 V CA 0.277 62.601 62.300 0.040 0.000 0.937 178 V CB 1.080 32.739 31.823 -0.274 0.000 0.999 178 V HN 0.514 nan 8.190 nan 0.000 0.472 179 N N 3.013 121.752 118.700 0.065 0.000 2.416 179 N HA 0.178 4.921 4.740 0.005 0.000 0.177 179 N C 0.673 176.306 175.510 0.204 0.000 1.036 179 N CA 0.664 53.776 53.050 0.104 0.000 0.901 179 N CB 0.258 38.771 38.487 0.044 0.000 0.976 179 N HN 0.755 nan 8.380 nan 0.000 0.444 180 G N -1.158 107.693 108.800 0.085 0.000 2.659 180 G HA2 0.790 4.753 3.960 0.005 0.000 0.296 180 G HA3 0.790 4.753 3.960 0.005 0.000 0.296 180 G C -1.843 172.536 174.900 -0.869 0.000 1.369 180 G CA -0.494 44.538 45.100 -0.114 0.000 0.937 180 G HN 0.217 nan 8.290 nan 0.000 0.485 181 A N 0.849 123.205 122.820 -0.772 0.000 2.566 181 A HA 0.683 5.007 4.320 0.005 0.000 0.297 181 A C -0.982 176.489 177.584 -0.188 0.000 1.059 181 A CA -0.813 50.834 52.037 -0.650 0.000 0.691 181 A CB 0.855 19.787 19.000 -0.113 0.000 1.282 181 A HN 0.830 nan 8.150 nan 0.000 0.401 182 H N 1.386 120.368 119.070 -0.146 0.000 2.897 182 H HA 0.455 5.015 4.556 0.005 0.000 0.347 182 H C 0.148 175.439 175.328 -0.061 0.000 1.068 182 H CA 1.487 57.467 56.048 -0.113 0.000 1.426 182 H CB 0.536 30.146 29.762 -0.254 0.000 1.410 182 H HN 0.499 nan 8.280 nan 0.000 0.597 183 Q N 2.774 122.606 119.800 0.053 0.000 2.476 183 Q HA 0.151 4.494 4.340 0.005 0.000 0.236 183 Q C -2.057 173.953 176.000 0.016 0.000 0.844 183 Q CA -0.546 55.279 55.803 0.036 0.000 0.972 183 Q CB 1.512 30.259 28.738 0.015 0.000 1.498 183 Q HN 0.774 nan 8.270 nan 0.000 0.454 184 D N 4.983 125.400 120.400 0.028 0.000 2.855 184 D HA 0.409 5.052 4.640 0.005 0.000 0.241 184 D C -2.092 174.160 176.300 -0.080 0.000 1.277 184 D CA -1.623 52.373 54.000 -0.006 0.000 0.918 184 D CB 2.337 43.186 40.800 0.083 0.000 1.462 184 D HN 0.139 nan 8.370 nan 0.000 0.559 185 P HA -0.058 nan 4.420 nan 0.000 0.217 185 P C 1.250 178.285 177.300 -0.441 0.000 1.151 185 P CA 1.048 63.793 63.100 -0.592 0.000 0.828 185 P CB 0.555 31.367 31.700 -1.481 0.000 0.788 186 Q N -1.491 118.108 119.800 -0.335 0.000 2.112 186 Q HA -0.246 4.097 4.340 0.005 0.000 0.206 186 Q C 2.155 178.101 176.000 -0.090 0.000 0.987 186 Q CA 1.586 57.312 55.803 -0.128 0.000 0.858 186 Q CB -0.881 27.821 28.738 -0.059 0.000 0.905 186 Q HN 0.269 nan 8.270 nan 0.000 0.420 187 Y N 1.929 122.206 120.300 -0.039 0.000 2.081 187 Y HA -0.335 4.218 4.550 0.005 0.000 0.280 187 Y C 1.833 177.742 175.900 0.015 0.000 1.163 187 Y CA 1.871 60.041 58.100 0.116 0.000 1.135 187 Y CB -0.300 38.260 38.460 0.166 0.000 0.970 187 Y HN 0.145 nan 8.280 nan 0.000 0.498 188 N N -0.029 118.651 118.700 -0.034 0.000 2.061 188 N HA -0.194 4.549 4.740 0.005 0.000 0.193 188 N C 1.924 177.296 175.510 -0.229 0.000 1.030 188 N CA 2.008 54.971 53.050 -0.145 0.000 0.856 188 N CB -0.692 37.745 38.487 -0.083 0.000 1.023 188 N HN 0.364 nan 8.380 nan 0.000 0.424 189 V N 1.523 121.315 119.914 -0.202 0.000 2.346 189 V HA -0.077 4.046 4.120 0.005 0.000 0.244 189 V C 2.417 178.343 176.094 -0.280 0.000 1.037 189 V CA 0.956 63.153 62.300 -0.173 0.000 1.029 189 V CB -0.451 31.346 31.823 -0.043 0.000 0.663 189 V HN 0.171 nan 8.190 nan 0.000 0.454 190 L N -1.081 119.866 121.223 -0.460 0.000 2.005 190 L HA -0.147 4.196 4.340 0.005 0.000 0.207 190 L C 2.454 178.927 176.870 -0.662 0.000 1.072 190 L CA 1.905 56.340 54.840 -0.674 0.000 0.744 190 L CB -0.648 40.767 42.059 -1.073 0.000 0.895 190 L HN 0.349 nan 8.230 nan 0.000 0.433 191 Y N -1.685 118.434 120.300 -0.302 0.000 2.497 191 Y HA 0.159 4.713 4.550 0.005 0.000 0.265 191 Y C 2.120 177.844 175.900 -0.294 0.000 1.111 191 Y CA -0.102 57.813 58.100 -0.309 0.000 1.288 191 Y CB 0.087 38.306 38.460 -0.402 0.000 1.082 191 Y HN -0.047 nan 8.280 nan 0.000 0.536 192 R N 0.248 120.602 120.500 -0.242 0.000 2.476 192 R HA 0.119 4.462 4.340 0.005 0.000 0.276 192 R C 0.054 176.324 176.300 -0.049 0.000 0.941 192 R CA -0.159 55.858 56.100 -0.138 0.000 1.088 192 R CB -0.549 29.600 30.300 -0.253 0.000 1.216 192 R HN 0.212 nan 8.270 nan 0.000 0.533 193 N N 1.263 119.910 118.700 -0.089 0.000 2.701 193 N HA -0.209 4.534 4.740 0.005 0.000 0.250 193 N C -0.641 174.854 175.510 -0.024 0.000 1.046 193 N CA 0.401 53.419 53.050 -0.053 0.000 0.733 193 N CB -1.203 37.275 38.487 -0.015 0.000 0.973 193 N HN 0.313 nan 8.380 nan 0.000 0.541 194 I N 0.248 120.783 120.570 -0.059 0.000 2.575 194 I HA 0.011 4.185 4.170 0.005 0.000 0.285 194 I C 1.294 177.380 176.117 -0.052 0.000 1.085 194 I CA -0.521 60.754 61.300 -0.042 0.000 1.403 194 I CB 0.576 38.532 38.000 -0.074 0.000 1.409 194 I HN 0.291 nan 8.210 nan 0.000 0.557 195 N N 6.702 125.376 118.700 -0.043 0.000 2.359 195 N HA -0.059 4.684 4.740 0.005 0.000 0.261 195 N C 1.051 176.523 175.510 -0.063 0.000 1.267 195 N CA -0.069 52.940 53.050 -0.070 0.000 0.864 195 N CB 0.823 39.266 38.487 -0.073 0.000 1.063 195 N HN 0.694 nan 8.380 nan 0.000 0.474 196 M N 4.151 123.690 119.600 -0.101 0.000 2.159 196 M HA -0.139 4.344 4.480 0.005 0.000 0.263 196 M C 1.411 177.730 176.300 0.032 0.000 1.063 196 M CA 1.463 56.761 55.300 -0.004 0.000 1.110 196 M CB -0.216 32.325 32.600 -0.097 0.000 1.374 196 M HN 0.453 nan 8.290 nan 0.000 0.411 197 I N 0.637 121.081 120.570 -0.210 0.000 2.179 197 I HA -0.230 3.943 4.170 0.005 0.000 0.242 197 I C 2.868 179.031 176.117 0.077 0.000 1.088 197 I CA 1.635 62.895 61.300 -0.066 0.000 1.357 197 I CB -0.626 37.288 38.000 -0.142 0.000 1.051 197 I HN 0.378 nan 8.210 nan 0.000 0.409 198 R N 1.196 121.703 120.500 0.013 0.000 2.096 198 R HA -0.152 4.191 4.340 0.005 0.000 0.235 198 R C 2.378 178.704 176.300 0.043 0.000 1.127 198 R CA 2.047 58.162 56.100 0.026 0.000 0.968 198 R CB -0.779 29.518 30.300 -0.004 0.000 0.861 198 R HN 0.232 nan 8.270 nan 0.000 0.440 199 S N -0.881 114.842 115.700 0.037 0.000 2.356 199 S HA -0.105 4.368 4.470 0.005 0.000 0.223 199 S C 1.669 176.210 174.600 -0.098 0.000 1.032 199 S CA 1.351 59.524 58.200 -0.045 0.000 1.005 199 S CB -0.376 62.769 63.200 -0.091 0.000 0.867 199 S HN 0.436 nan 8.310 nan 0.000 0.449 200 F N 1.058 120.999 119.950 -0.015 0.000 2.259 200 F HA 0.229 4.759 4.527 0.005 0.000 0.298 200 F C 1.997 177.825 175.800 0.046 0.000 1.088 200 F CA 0.673 58.640 58.000 -0.054 0.000 1.358 200 F CB -0.212 38.747 39.000 -0.069 0.000 1.040 200 F HN 0.219 nan 8.300 nan 0.000 0.505 201 I N -0.396 120.308 120.570 0.224 0.000 2.286 201 I HA -0.237 3.936 4.170 0.005 0.000 0.245 201 I C 1.810 177.969 176.117 0.070 0.000 1.104 201 I CA 1.072 62.464 61.300 0.153 0.000 1.397 201 I CB -0.394 37.686 38.000 0.134 0.000 1.072 201 I HN -0.046 nan 8.210 nan 0.000 0.417 202 D N 1.100 121.528 120.400 0.047 0.000 2.182 202 D HA -0.168 4.476 4.640 0.005 0.000 0.201 202 D C 2.192 178.478 176.300 -0.023 0.000 0.986 202 D CA 1.435 55.441 54.000 0.010 0.000 0.847 202 D CB -0.057 40.742 40.800 -0.001 0.000 0.942 202 D HN 0.363 nan 8.370 nan 0.000 0.467 203 A N -0.134 122.671 122.820 -0.024 0.000 1.929 203 A HA -0.134 4.190 4.320 0.005 0.000 0.216 203 A C 2.484 180.045 177.584 -0.037 0.000 1.176 203 A CA 1.005 53.031 52.037 -0.019 0.000 0.628 203 A CB -0.813 18.161 19.000 -0.044 0.000 0.816 203 A HN 0.352 nan 8.150 nan 0.000 0.444 204 C N -0.717 118.497 119.300 -0.143 0.000 2.393 204 C HA -0.132 4.331 4.460 0.005 0.000 0.276 204 C C 2.678 177.400 174.990 -0.446 0.000 1.215 204 C CA 1.539 60.167 59.018 -0.651 0.000 1.743 204 C CB -1.116 25.883 27.740 -1.235 0.000 2.044 204 C HN 0.750 nan 8.230 nan 0.000 0.464 205 E N 1.378 121.451 120.200 -0.212 0.000 2.007 205 E HA -0.132 4.221 4.350 0.005 0.000 0.194 205 E C 2.288 178.864 176.600 -0.041 0.000 0.999 205 E CA 1.933 58.285 56.400 -0.080 0.000 0.811 205 E CB -0.423 29.259 29.700 -0.031 0.000 0.762 205 E HN 0.540 nan 8.360 nan 0.000 0.450 206 S N 0.528 116.206 115.700 -0.036 0.000 2.380 206 S HA -0.275 4.198 4.470 0.005 0.000 0.229 206 S C 1.890 176.492 174.600 0.003 0.000 1.050 206 S CA 1.860 60.051 58.200 -0.014 0.000 1.100 206 S CB -0.426 62.759 63.200 -0.025 0.000 0.984 206 S HN 0.242 nan 8.310 nan 0.000 0.434 207 K N 0.281 120.670 120.400 -0.018 0.000 2.044 207 K HA -0.114 4.210 4.320 0.005 0.000 0.210 207 K C 2.390 179.005 176.600 0.024 0.000 1.049 207 K CA 1.767 58.051 56.287 -0.004 0.000 0.927 207 K CB -0.551 31.928 32.500 -0.035 0.000 0.713 207 K HN 0.348 nan 8.250 nan 0.000 0.443 208 T N 1.415 115.975 114.554 0.010 0.000 2.759 208 T HA -0.116 4.237 4.350 0.005 0.000 0.269 208 T C 1.870 176.655 174.700 0.142 0.000 1.042 208 T CA 1.208 63.364 62.100 0.093 0.000 1.140 208 T CB -0.179 68.773 68.868 0.141 0.000 0.864 208 T HN 0.147 nan 8.240 nan 0.000 0.455 209 I N 0.598 121.235 120.570 0.111 0.000 2.202 209 I HA -0.121 4.052 4.170 0.005 0.000 0.242 209 I C 2.528 178.790 176.117 0.242 0.000 1.091 209 I CA 1.226 62.616 61.300 0.149 0.000 1.368 209 I CB -0.381 37.667 38.000 0.080 0.000 1.058 209 I HN 0.196 nan 8.210 nan 0.000 0.410 210 M N 0.356 120.056 119.600 0.167 0.000 2.202 210 M HA -0.211 4.272 4.480 0.005 0.000 0.262 210 M C 2.428 178.818 176.300 0.150 0.000 1.063 210 M CA 1.964 57.356 55.300 0.154 0.000 1.097 210 M CB -0.482 32.172 32.600 0.090 0.000 1.382 210 M HN 0.342 nan 8.290 nan 0.000 0.413 211 A N -0.964 121.946 122.820 0.150 0.000 1.968 211 A HA -0.178 4.145 4.320 0.005 0.000 0.217 211 A C 1.816 179.492 177.584 0.153 0.000 1.169 211 A CA 0.857 52.968 52.037 0.123 0.000 0.638 211 A CB -0.982 18.084 19.000 0.110 0.000 0.812 211 A HN 0.766 nan 8.150 nan 0.000 0.446 212 W N 0.749 122.077 121.300 0.046 0.000 2.381 212 W HA -0.026 4.637 4.660 0.005 0.000 0.301 212 W C 2.017 178.564 176.519 0.047 0.000 1.205 212 W CA 1.819 59.192 57.345 0.047 0.000 1.285 212 W CB -0.013 29.479 29.460 0.053 0.000 1.133 212 W HN 0.274 nan 8.180 nan 0.000 0.521 213 A N 0.252 123.193 122.820 0.202 0.000 2.259 213 A HA 0.029 4.352 4.320 0.005 0.000 0.208 213 A C 0.676 178.219 177.584 -0.069 0.000 1.201 213 A CA 1.093 53.141 52.037 0.018 0.000 0.824 213 A CB -0.999 18.171 19.000 0.284 0.000 0.838 213 A HN 0.425 nan 8.150 nan 0.000 0.485 214 D N -1.430 118.932 120.400 -0.063 0.000 2.708 214 D HA -0.172 4.471 4.640 0.005 0.000 0.236 214 D C -0.047 176.266 176.300 0.021 0.000 1.146 214 D CA 0.954 54.935 54.000 -0.031 0.000 0.662 214 D CB -1.534 39.224 40.800 -0.070 0.000 1.059 214 D HN 0.572 nan 8.370 nan 0.000 0.428 215 M N 0.269 119.890 119.600 0.035 0.000 2.274 215 M HA 0.506 4.989 4.480 0.005 0.000 0.344 215 M C 0.908 177.174 176.300 -0.056 0.000 1.161 215 M CA -0.405 54.912 55.300 0.028 0.000 1.126 215 M CB 1.526 34.146 32.600 0.033 0.000 1.522 215 M HN 0.197 nan 8.290 nan 0.000 0.461 216 A N 2.660 125.374 122.820 -0.176 0.000 2.388 216 A HA 0.340 4.663 4.320 0.005 0.000 0.257 216 A C -0.451 176.951 177.584 -0.303 0.000 1.095 216 A CA -0.369 51.395 52.037 -0.454 0.000 0.791 216 A CB 0.457 18.643 19.000 -1.356 0.000 1.029 216 A HN 0.822 nan 8.150 nan 0.000 0.489 217 Q N 2.003 121.663 119.800 -0.233 0.000 2.333 217 Q HA 0.658 5.001 4.340 0.005 0.000 0.267 217 Q C -1.598 174.287 176.000 -0.191 0.000 1.012 217 Q CA -0.518 55.188 55.803 -0.163 0.000 0.824 217 Q CB 1.171 29.858 28.738 -0.084 0.000 1.290 217 Q HN 0.681 nan 8.270 nan 0.000 0.449 218 I N 3.555 123.982 120.570 -0.237 0.000 2.412 218 I HA 0.241 4.414 4.170 0.005 0.000 0.296 218 I C -0.143 175.788 176.117 -0.309 0.000 0.987 218 I CA -0.956 60.124 61.300 -0.368 0.000 1.180 218 I CB 1.513 39.088 38.000 -0.709 0.000 1.340 218 I HN 0.803 nan 8.210 nan 0.000 0.455 224 A N 1.220 124.165 122.820 0.209 0.000 2.076 224 A HA -0.060 4.263 4.320 0.005 0.000 0.220 224 A C 2.025 179.721 177.584 0.186 0.000 1.160 224 A CA 2.041 54.098 52.037 0.033 0.000 0.653 224 A CB -0.713 17.920 19.000 -0.611 0.000 0.801 224 A HN 0.724 nan 8.150 nan 0.000 0.455 225 H N -0.342 118.753 119.070 0.041 0.000 2.559 225 H HA 0.060 4.619 4.556 0.005 0.000 0.273 225 H C 1.239 176.554 175.328 -0.022 0.000 1.000 225 H CA 0.765 56.834 56.048 0.035 0.000 1.195 225 H CB -0.986 28.811 29.762 0.059 0.000 1.368 225 H HN 0.529 nan 8.280 nan 0.000 0.592 226 N N 0.897 119.525 118.700 -0.119 0.000 2.331 226 N HA -0.014 4.729 4.740 0.005 0.000 0.180 226 N C 1.913 177.270 175.510 -0.255 0.000 1.019 226 N CA 0.996 53.807 53.050 -0.398 0.000 0.881 226 N CB 0.047 38.043 38.487 -0.819 0.000 0.972 226 N HN 0.499 nan 8.380 nan 0.000 0.435 227 A N 1.848 124.671 122.820 0.005 0.000 1.933 227 A HA -0.162 4.162 4.320 0.005 0.000 0.218 227 A C 2.012 179.613 177.584 0.029 0.000 1.175 227 A CA 1.422 53.524 52.037 0.108 0.000 0.628 227 A CB -0.570 18.520 19.000 0.150 0.000 0.814 227 A HN 0.259 nan 8.150 nan 0.000 0.444 228 N N 0.675 119.379 118.700 0.007 0.000 2.025 228 N HA -0.118 4.625 4.740 0.005 0.000 0.194 228 N C 1.908 177.371 175.510 -0.078 0.000 1.044 228 N CA 1.954 54.992 53.050 -0.019 0.000 0.851 228 N CB -0.495 37.997 38.487 0.009 0.000 1.036 228 N HN 0.456 nan 8.380 nan 0.000 0.422 229 A N 0.012 122.765 122.820 -0.111 0.000 1.917 229 A HA -0.193 4.130 4.320 0.005 0.000 0.219 229 A C 2.133 179.650 177.584 -0.113 0.000 1.182 229 A CA 2.413 54.364 52.037 -0.143 0.000 0.633 229 A CB -1.304 17.588 19.000 -0.180 0.000 0.819 229 A HN 0.547 nan 8.150 nan 0.000 0.448 230 T N -2.925 111.581 114.554 -0.080 0.000 3.107 230 T HA 0.585 4.938 4.350 0.005 0.000 0.249 230 T C 0.614 175.318 174.700 0.006 0.000 1.096 230 T CA 0.396 62.486 62.100 -0.017 0.000 1.012 230 T CB -0.365 68.543 68.868 0.066 0.000 0.977 230 T HN 0.640 nan 8.240 nan 0.000 0.527 231 A N 1.578 124.386 122.820 -0.020 0.000 2.371 231 A HA 0.563 4.886 4.320 0.005 0.000 0.257 231 A C 1.480 179.028 177.584 -0.059 0.000 1.089 231 A CA -0.761 51.256 52.037 -0.033 0.000 0.794 231 A CB 0.584 19.553 19.000 -0.053 0.000 1.029 231 A HN 0.197 nan 8.150 nan 0.000 0.488 232 R N 0.674 121.127 120.500 -0.077 0.000 2.055 232 R HA -0.026 4.317 4.340 0.005 0.000 0.228 232 R C -0.270 175.936 176.300 -0.156 0.000 1.143 232 R CA 1.258 57.305 56.100 -0.089 0.000 0.945 232 R CB -0.487 29.761 30.300 -0.086 0.000 0.841 232 R HN 0.827 nan 8.270 nan 0.000 0.429 233 E N -0.243 119.744 120.200 -0.355 0.000 2.092 233 E HA 0.299 4.652 4.350 0.005 0.000 0.271 233 E C 0.009 176.299 176.600 -0.517 0.000 0.919 233 E CA -0.095 55.846 56.400 -0.764 0.000 0.760 233 E CB 1.776 30.462 29.700 -1.690 0.000 1.106 233 E HN 0.200 nan 8.360 nan 0.000 0.408 234 A N 3.524 126.290 122.820 -0.091 0.000 2.172 234 A HA -0.126 4.197 4.320 0.005 0.000 0.216 234 A C 1.316 178.936 177.584 0.061 0.000 1.154 234 A CA 0.853 52.916 52.037 0.044 0.000 0.701 234 A CB -0.627 18.494 19.000 0.201 0.000 0.789 234 A HN 0.899 nan 8.150 nan 0.000 0.465 235 W N -0.957 120.352 121.300 0.016 0.000 3.047 235 W HA 0.296 4.959 4.660 0.005 0.000 0.250 235 W C 0.991 177.381 176.519 -0.214 0.000 1.314 235 W CA 0.608 57.903 57.345 -0.084 0.000 1.540 235 W CB 0.107 29.516 29.460 -0.084 0.000 1.127 235 W HN 0.080 nan 8.180 nan 0.000 0.679 236 K N 0.467 120.632 120.400 -0.392 0.000 2.358 236 K HA 0.107 4.430 4.320 0.005 0.000 0.197 236 K C 1.491 178.099 176.600 0.013 0.000 1.025 236 K CA 0.067 56.165 56.287 -0.314 0.000 1.104 236 K CB 0.779 33.091 32.500 -0.312 0.000 0.855 236 K HN 0.139 nan 8.250 nan 0.000 0.531 237 V N 1.298 121.191 119.914 -0.035 0.000 3.406 237 V HA -0.073 4.050 4.120 0.005 0.000 0.263 237 V C 1.611 177.722 176.094 0.028 0.000 1.172 237 V CA 0.827 63.140 62.300 0.022 0.000 1.140 237 V CB -0.240 31.574 31.823 -0.015 0.000 0.784 237 V HN 0.289 nan 8.190 nan 0.000 0.467 238 M N 0.724 120.311 119.600 -0.022 0.000 2.080 238 M HA -0.101 4.382 4.480 0.005 0.000 0.260 238 M C -0.070 176.269 176.300 0.064 0.000 1.068 238 M CA 2.201 57.404 55.300 -0.161 0.000 1.109 238 M CB -2.074 30.354 32.600 -0.286 0.000 1.342 238 M HN 0.233 nan 8.290 nan 0.000 0.405 239 P HA -0.221 nan 4.420 nan 0.000 0.216 239 P C 1.309 178.622 177.300 0.022 0.000 1.157 239 P CA 1.536 64.760 63.100 0.206 0.000 0.880 239 P CB -0.162 31.735 31.700 0.329 0.000 0.791 240 E N -0.453 119.737 120.200 -0.017 0.000 2.077 240 E HA -0.169 4.184 4.350 0.005 0.000 0.193 240 E C 1.993 178.523 176.600 -0.116 0.000 0.989 240 E CA 0.818 57.064 56.400 -0.256 0.000 0.800 240 E CB -0.569 29.098 29.700 -0.054 0.000 0.746 240 E HN 0.098 nan 8.360 nan 0.000 0.452 241 L N 0.201 121.411 121.223 -0.022 0.000 2.010 241 L HA -0.307 4.036 4.340 0.005 0.000 0.219 241 L C 2.801 179.700 176.870 0.048 0.000 1.077 241 L CA 1.771 56.602 54.840 -0.015 0.000 0.773 241 L CB -0.547 41.544 42.059 0.054 0.000 0.892 241 L HN 0.355 nan 8.230 nan 0.000 0.436 242 M N -1.249 118.478 119.600 0.212 0.000 2.117 242 M HA -0.181 4.302 4.480 0.005 0.000 0.262 242 M C 2.291 178.728 176.300 0.229 0.000 1.065 242 M CA 1.337 56.828 55.300 0.318 0.000 1.114 242 M CB -0.505 32.310 32.600 0.359 0.000 1.361 242 M HN 0.106 nan 8.290 nan 0.000 0.408 243 V N 0.491 120.410 119.914 0.008 0.000 2.295 243 V HA -0.270 3.853 4.120 0.005 0.000 0.246 243 V C 2.306 178.447 176.094 0.077 0.000 1.049 243 V CA 1.822 64.094 62.300 -0.047 0.000 1.024 243 V CB -0.796 30.768 31.823 -0.430 0.000 0.648 243 V HN 0.526 nan 8.190 nan 0.000 0.447 244 Q N -1.364 118.464 119.800 0.048 0.000 2.167 244 Q HA -0.178 4.165 4.340 0.005 0.000 0.202 244 Q C 2.298 178.311 176.000 0.021 0.000 0.970 244 Q CA 1.270 57.106 55.803 0.055 0.000 0.855 244 Q CB -0.198 28.552 28.738 0.020 0.000 0.911 244 Q HN 0.697 nan 8.270 nan 0.000 0.438 245 H N 0.431 119.522 119.070 0.034 0.000 2.293 245 H HA -0.083 4.476 4.556 0.005 0.000 0.300 245 H C 2.110 177.500 175.328 0.104 0.000 1.082 245 H CA 1.587 57.578 56.048 -0.096 0.000 1.308 245 H CB -0.436 29.060 29.762 -0.444 0.000 1.375 245 H HN 0.311 nan 8.280 nan 0.000 0.495 246 A N 1.355 124.490 122.820 0.525 0.000 1.851 246 A HA -0.156 4.168 4.320 0.005 0.000 0.216 246 A C 2.831 180.533 177.584 0.196 0.000 1.195 246 A CA 1.656 53.955 52.037 0.437 0.000 0.622 246 A CB -1.111 18.050 19.000 0.267 0.000 0.831 246 A HN 0.313 nan 8.150 nan 0.000 0.444 247 L N -0.546 120.763 121.223 0.144 0.000 2.013 247 L HA -0.274 4.069 4.340 0.005 0.000 0.212 247 L C 2.575 179.495 176.870 0.083 0.000 1.073 247 L CA 2.016 56.903 54.840 0.078 0.000 0.753 247 L CB -0.778 41.299 42.059 0.030 0.000 0.890 247 L HN 0.577 nan 8.230 nan 0.000 0.432 248 N N -0.425 118.315 118.700 0.066 0.000 2.244 248 N HA -0.137 4.606 4.740 0.005 0.000 0.183 248 N C 1.822 177.398 175.510 0.110 0.000 1.016 248 N CA 1.478 54.568 53.050 0.066 0.000 0.866 248 N CB 0.091 38.596 38.487 0.029 0.000 0.980 248 N HN 0.173 nan 8.380 nan 0.000 0.430 249 S N 0.158 115.892 115.700 0.057 0.000 2.335 249 S HA -0.058 4.415 4.470 0.005 0.000 0.216 249 S C 1.782 176.425 174.600 0.071 0.000 1.032 249 S CA 0.734 58.899 58.200 -0.059 0.000 1.000 249 S CB -0.427 62.587 63.200 -0.310 0.000 0.928 249 S HN 0.290 nan 8.310 nan 0.000 0.434 250 I N 1.452 122.089 120.570 0.111 0.000 2.208 250 I HA -0.128 4.045 4.170 0.005 0.000 0.245 250 I C 1.886 178.095 176.117 0.154 0.000 1.097 250 I CA 0.795 62.182 61.300 0.145 0.000 1.363 250 I CB -0.774 37.295 38.000 0.114 0.000 1.051 250 I HN 0.220 nan 8.210 nan 0.000 0.413 251 F N 0.855 120.823 119.950 0.029 0.000 2.065 251 F HA -0.312 4.218 4.527 0.005 0.000 0.298 251 F C 2.724 178.539 175.800 0.025 0.000 1.112 251 F CA 2.254 60.268 58.000 0.023 0.000 1.212 251 F CB -0.690 38.325 39.000 0.025 0.000 0.975 251 F HN 0.048 nan 8.300 nan 0.000 0.476 252 S N 0.354 116.128 115.700 0.123 0.000 2.382 252 S HA -0.178 4.296 4.470 0.005 0.000 0.228 252 S C 1.845 176.450 174.600 0.009 0.000 1.027 252 S CA 1.266 59.486 58.200 0.033 0.000 0.991 252 S CB -0.636 62.620 63.200 0.094 0.000 0.823 252 S HN 0.382 nan 8.310 nan 0.000 0.469 253 L N 2.094 123.358 121.223 0.069 0.000 2.005 253 L HA 0.015 4.358 4.340 0.005 0.000 0.207 253 L C 1.974 178.860 176.870 0.027 0.000 1.072 253 L CA 1.785 56.677 54.840 0.086 0.000 0.744 253 L CB -0.464 41.685 42.059 0.150 0.000 0.895 253 L HN 0.033 nan 8.230 nan 0.000 0.433 254 K N -0.812 119.585 120.400 -0.005 0.000 2.360 254 K HA -0.054 4.269 4.320 0.005 0.000 0.201 254 K C 1.869 178.450 176.600 -0.032 0.000 1.046 254 K CA 1.169 57.443 56.287 -0.022 0.000 0.945 254 K CB -0.233 32.246 32.500 -0.034 0.000 0.750 254 K HN 0.301 nan 8.250 nan 0.000 0.464 255 V N -0.240 119.613 119.914 -0.102 0.000 3.129 255 V HA -0.002 4.122 4.120 0.005 0.000 0.259 255 V C 1.529 177.666 176.094 0.072 0.000 1.116 255 V CA 1.449 63.726 62.300 -0.039 0.000 1.127 255 V CB 0.257 31.893 31.823 -0.312 0.000 0.742 255 V HN 0.614 nan 8.190 nan 0.000 0.474 256 G N -0.861 107.962 108.800 0.039 0.000 2.318 256 G HA2 -0.193 3.770 3.960 0.005 0.000 0.172 256 G HA3 -0.193 3.770 3.960 0.005 0.000 0.172 256 G C 0.180 175.113 174.900 0.055 0.000 1.002 256 G CA 0.030 45.166 45.100 0.059 0.000 0.697 256 G HN 0.299 nan 8.290 nan 0.000 0.483 257 M N 1.956 121.584 119.600 0.048 0.000 2.252 257 M HA 0.346 4.829 4.480 0.005 0.000 0.333 257 M C 0.590 176.926 176.300 0.061 0.000 1.111 257 M CA 0.311 55.644 55.300 0.055 0.000 1.140 257 M CB 0.377 33.009 32.600 0.053 0.000 1.538 257 M HN 0.085 nan 8.290 nan 0.000 0.448 258 K N 3.734 124.167 120.400 0.055 0.000 2.270 258 K HA 0.106 4.429 4.320 0.005 0.000 0.276 258 K C 0.522 177.160 176.600 0.063 0.000 1.023 258 K CA -0.390 55.925 56.287 0.047 0.000 0.955 258 K CB 0.826 33.352 32.500 0.042 0.000 0.975 258 K HN 0.663 nan 8.250 nan 0.000 0.471 259 K N 0.999 121.411 120.400 0.019 0.000 2.059 259 K HA -0.199 4.124 4.320 0.005 0.000 0.212 259 K C 1.982 178.602 176.600 0.035 0.000 1.050 259 K CA 2.317 58.591 56.287 -0.023 0.000 0.927 259 K CB -0.178 32.152 32.500 -0.283 0.000 0.714 259 K HN 0.714 nan 8.250 nan 0.000 0.447 260 S N 0.527 116.232 115.700 0.008 0.000 2.595 260 S HA -0.045 4.428 4.470 0.005 0.000 0.235 260 S C 1.185 175.876 174.600 0.153 0.000 0.974 260 S CA 0.933 59.156 58.200 0.038 0.000 0.942 260 S CB -0.068 63.146 63.200 0.023 0.000 0.766 260 S HN 0.207 nan 8.310 nan 0.000 0.536 261 N N 0.388 119.154 118.700 0.110 0.000 2.250 261 N HA 0.372 5.115 4.740 0.005 0.000 0.190 261 N C -0.493 175.017 175.510 0.001 0.000 1.116 261 N CA 0.002 53.082 53.050 0.051 0.000 0.881 261 N CB 0.204 38.704 38.487 0.021 0.000 1.006 261 N HN 0.424 nan 8.380 nan 0.000 0.491 262 I N 1.244 121.866 120.570 0.086 0.000 2.322 262 I HA 0.116 4.289 4.170 0.005 0.000 0.292 262 I C -0.384 175.762 176.117 0.049 0.000 1.060 262 I CA -0.155 61.196 61.300 0.084 0.000 1.309 262 I CB 0.464 38.590 38.000 0.210 0.000 1.415 262 I HN -0.076 nan 8.210 nan 0.000 0.492 263 C N 7.303 126.565 119.300 -0.063 0.000 2.298 263 C HA 0.485 4.948 4.460 0.005 0.000 0.323 263 C C 0.090 174.980 174.990 -0.166 0.000 1.284 263 C CA -0.888 58.069 59.018 -0.103 0.000 1.577 263 C CB 0.352 28.001 27.740 -0.152 0.000 2.249 263 C HN 0.464 nan 8.230 nan 0.000 0.497 264 L N 3.097 124.185 121.223 -0.226 0.000 2.361 264 L HA 0.229 4.572 4.340 0.005 0.000 0.278 264 L C 0.945 177.656 176.870 -0.266 0.000 1.113 264 L CA 0.750 55.367 54.840 -0.371 0.000 0.849 264 L CB 0.765 42.373 42.059 -0.752 0.000 1.155 264 L HN 0.735 nan 8.230 nan 0.000 0.452 265 S N 2.294 117.909 115.700 -0.142 0.000 2.494 265 S HA 0.213 4.686 4.470 0.005 0.000 0.312 265 S C 0.072 174.658 174.600 -0.025 0.000 1.121 265 S CA -0.400 57.681 58.200 -0.197 0.000 1.068 265 S CB -0.262 62.632 63.200 -0.510 0.000 1.141 265 S HN 0.647 nan 8.310 nan 0.000 0.527 266 T N 5.385 119.914 114.554 -0.042 0.000 2.809 266 T HA 0.515 4.869 4.350 0.005 0.000 0.296 266 T C -0.812 173.946 174.700 0.095 0.000 1.015 266 T CA -0.499 61.643 62.100 0.069 0.000 0.954 266 T CB 0.477 69.314 68.868 -0.052 0.000 0.950 266 T HN 0.342 nan 8.240 nan 0.000 0.450 267 V N 8.825 128.840 119.914 0.168 0.000 2.394 267 V HA 0.424 4.547 4.120 0.005 0.000 0.282 267 V C -2.101 174.115 176.094 0.204 0.000 1.031 267 V CA -2.117 60.278 62.300 0.159 0.000 0.881 267 V CB 1.420 33.337 31.823 0.157 0.000 0.982 267 V HN 0.758 nan 8.190 nan 0.000 0.451 268 P HA 0.159 nan 4.420 nan 0.000 0.264 268 P C -2.215 175.207 177.300 0.203 0.000 1.193 268 P CA -0.972 62.254 63.100 0.209 0.000 0.763 268 P CB 0.252 32.052 31.700 0.167 0.000 0.810 269 P HA -0.042 nan 4.420 nan 0.000 0.227 269 P C 0.393 177.890 177.300 0.328 0.000 1.161 269 P CA 1.171 64.395 63.100 0.207 0.000 0.788 269 P CB 0.171 31.953 31.700 0.136 0.000 0.822 270 T N -3.823 110.907 114.554 0.294 0.000 2.883 270 T HA 0.828 5.181 4.350 0.005 0.000 0.284 270 T C -0.788 174.040 174.700 0.212 0.000 1.041 270 T CA -0.952 61.332 62.100 0.308 0.000 1.007 270 T CB 2.062 70.994 68.868 0.106 0.000 1.220 270 T HN -0.016 nan 8.240 nan 0.000 0.552 271 A N 0.421 123.307 122.820 0.110 0.000 2.566 271 A HA 0.870 5.194 4.320 0.005 0.000 0.292 271 A C -3.147 174.417 177.584 -0.034 0.000 1.112 271 A CA -2.015 50.067 52.037 0.074 0.000 0.707 271 A CB 0.735 19.827 19.000 0.153 0.000 1.302 271 A HN 0.664 nan 8.150 nan 0.000 0.409 272 P HA 0.175 nan 4.420 nan 0.000 0.267 272 P C -1.788 175.470 177.300 -0.070 0.000 1.200 272 P CA -0.588 62.479 63.100 -0.056 0.000 0.772 272 P CB 0.207 31.888 31.700 -0.032 0.000 0.855 273 P HA 0.050 nan 4.420 nan 0.000 0.245 273 P C 0.165 177.378 177.300 -0.146 0.000 1.212 273 P CA 0.341 63.380 63.100 -0.103 0.000 0.774 273 P CB 0.026 31.669 31.700 -0.094 0.000 0.999 274 A N 2.431 125.132 122.820 -0.198 0.000 2.507 274 A HA 0.262 4.585 4.320 0.005 0.000 0.235 274 A C -1.853 175.631 177.584 -0.166 0.000 1.070 274 A CA -0.852 51.033 52.037 -0.254 0.000 0.768 274 A CB -0.805 17.987 19.000 -0.346 0.000 1.011 274 A HN 0.031 nan 8.150 nan 0.000 0.502 275 P HA 0.082 nan 4.420 nan 0.000 0.235 275 P C 0.806 178.090 177.300 -0.027 0.000 1.765 275 P CA 0.279 63.322 63.100 -0.096 0.000 1.034 275 P CB -0.414 31.210 31.700 -0.127 0.000 1.984 276 S N 0.727 116.415 115.700 -0.020 0.000 2.387 276 S HA -0.210 4.263 4.470 0.005 0.000 0.230 276 S C 1.759 176.402 174.600 0.072 0.000 1.035 276 S CA 1.101 59.315 58.200 0.024 0.000 1.014 276 S CB -0.797 62.425 63.200 0.037 0.000 0.836 276 S HN 0.129 nan 8.310 nan 0.000 0.466 277 M N -0.118 119.530 119.600 0.080 0.000 2.200 277 M HA 0.088 4.571 4.480 0.005 0.000 0.265 277 M C 2.097 178.475 176.300 0.128 0.000 1.066 277 M CA 1.243 56.601 55.300 0.096 0.000 1.127 277 M CB -1.197 31.454 32.600 0.084 0.000 1.379 277 M HN 0.412 nan 8.290 nan 0.000 0.420 278 Y N 1.042 121.344 120.300 0.004 0.000 2.242 278 Y HA -0.103 4.450 4.550 0.005 0.000 0.291 278 Y C 2.124 178.035 175.900 0.018 0.000 1.137 278 Y CA 1.384 59.487 58.100 0.006 0.000 1.181 278 Y CB -0.108 38.342 38.460 -0.017 0.000 0.989 278 Y HN 0.073 nan 8.280 nan 0.000 0.527 279 L N -0.711 120.610 121.223 0.162 0.000 2.240 279 L HA -0.112 4.232 4.340 0.005 0.000 0.211 279 L C 1.212 178.150 176.870 0.114 0.000 1.106 279 L CA 1.070 55.971 54.840 0.103 0.000 0.793 279 L CB -0.153 41.931 42.059 0.041 0.000 0.927 279 L HN 0.133 nan 8.230 nan 0.000 0.446 280 D N -1.229 119.245 120.400 0.124 0.000 2.423 280 D HA -0.004 4.639 4.640 0.005 0.000 0.212 280 D C 1.928 178.321 176.300 0.155 0.000 1.060 280 D CA 0.100 54.205 54.000 0.175 0.000 0.872 280 D CB 0.288 41.192 40.800 0.173 0.000 1.012 280 D HN 0.025 nan 8.370 nan 0.000 0.503 281 L N 1.698 122.973 121.223 0.087 0.000 1.989 281 L HA -0.067 4.276 4.340 0.005 0.000 0.211 281 L C -0.945 175.948 176.870 0.038 0.000 1.071 281 L CA 2.163 57.031 54.840 0.047 0.000 0.749 281 L CB -1.214 40.854 42.059 0.015 0.000 0.890 281 L HN -0.051 nan 8.230 nan 0.000 0.431 282 P HA -0.218 nan 4.420 nan 0.000 0.218 282 P C 1.188 178.552 177.300 0.106 0.000 1.148 282 P CA 1.449 64.572 63.100 0.039 0.000 0.822 282 P CB -0.236 31.476 31.700 0.020 0.000 0.784 283 Y N 0.827 121.160 120.300 0.055 0.000 2.184 283 Y HA -0.018 4.535 4.550 0.005 0.000 0.290 283 Y C 2.381 178.321 175.900 0.067 0.000 1.129 283 Y CA 1.288 59.438 58.100 0.082 0.000 1.144 283 Y CB -1.104 37.419 38.460 0.106 0.000 0.995 283 Y HN -0.119 nan 8.280 nan 0.000 0.513 284 A N -0.186 122.575 122.820 -0.098 0.000 1.927 284 A HA -0.231 4.093 4.320 0.005 0.000 0.220 284 A C 2.342 179.832 177.584 -0.156 0.000 1.185 284 A CA 2.540 54.477 52.037 -0.166 0.000 0.639 284 A CB -1.419 17.564 19.000 -0.028 0.000 0.820 284 A HN 0.375 nan 8.150 nan 0.000 0.451 285 V N -0.679 119.189 119.914 -0.077 0.000 2.323 285 V HA -0.137 3.986 4.120 0.005 0.000 0.244 285 V C 3.050 179.120 176.094 -0.040 0.000 1.041 285 V CA 1.765 64.038 62.300 -0.045 0.000 1.025 285 V CB -1.139 30.674 31.823 -0.016 0.000 0.656 285 V HN 0.642 nan 8.190 nan 0.000 0.451 286 A N -0.073 122.730 122.820 -0.028 0.000 1.865 286 A HA -0.237 4.086 4.320 0.005 0.000 0.217 286 A C 2.188 179.784 177.584 0.020 0.000 1.191 286 A CA 2.270 54.319 52.037 0.021 0.000 0.623 286 A CB -0.706 18.347 19.000 0.088 0.000 0.826 286 A HN 0.463 nan 8.150 nan 0.000 0.444 287 L N -0.504 120.656 121.223 -0.106 0.000 2.079 287 L HA -0.161 4.182 4.340 0.005 0.000 0.210 287 L C 2.490 179.401 176.870 0.069 0.000 1.081 287 L CA 2.020 56.826 54.840 -0.057 0.000 0.752 287 L CB -0.307 41.478 42.059 -0.457 0.000 0.896 287 L HN 0.338 nan 8.230 nan 0.000 0.433 288 R N -0.739 119.742 120.500 -0.030 0.000 2.148 288 R HA -0.070 4.273 4.340 0.005 0.000 0.223 288 R C 2.095 178.428 176.300 0.055 0.000 1.088 288 R CA 1.298 57.404 56.100 0.011 0.000 0.985 288 R CB -0.141 30.135 30.300 -0.039 0.000 0.880 288 R HN 0.538 nan 8.270 nan 0.000 0.451 289 E N 0.117 120.343 120.200 0.043 0.000 2.072 289 E HA -0.185 4.168 4.350 0.005 0.000 0.190 289 E C 1.790 178.419 176.600 0.048 0.000 0.982 289 E CA 1.001 57.422 56.400 0.035 0.000 0.803 289 E CB -0.041 29.673 29.700 0.023 0.000 0.755 289 E HN 0.114 nan 8.360 nan 0.000 0.453 290 M N -0.169 119.484 119.600 0.089 0.000 2.229 290 M HA -0.054 4.429 4.480 0.005 0.000 0.264 290 M C 0.714 176.948 176.300 -0.110 0.000 1.063 290 M CA 1.531 56.841 55.300 0.016 0.000 1.114 290 M CB 0.184 32.848 32.600 0.106 0.000 1.387 290 M HN -0.040 nan 8.290 nan 0.000 0.420 291 F N 0.188 120.168 119.950 0.049 0.000 2.772 291 F HA 0.301 4.831 4.527 0.005 0.000 0.302 291 F C 0.396 176.291 175.800 0.160 0.000 1.136 291 F CA -0.645 57.445 58.000 0.149 0.000 1.322 291 F CB -0.344 38.691 39.000 0.058 0.000 0.967 291 F HN 0.053 nan 8.300 nan 0.000 0.513 292 E N 0.431 120.718 120.200 0.145 0.000 2.608 292 E HA 0.227 4.580 4.350 0.005 0.000 0.259 292 E C 1.323 177.898 176.600 -0.041 0.000 0.951 292 E CA 1.293 57.718 56.400 0.042 0.000 0.945 292 E CB 0.302 29.998 29.700 -0.006 0.000 0.916 292 E HN 0.603 nan 8.360 nan 0.000 0.477 293 G N 3.031 111.776 108.800 -0.091 0.000 2.284 293 G HA2 -0.281 3.682 3.960 0.005 0.000 0.216 293 G HA3 -0.281 3.682 3.960 0.005 0.000 0.216 293 G C -0.409 174.329 174.900 -0.269 0.000 1.009 293 G CA 0.097 45.060 45.100 -0.228 0.000 0.625 293 G HN 0.518 nan 8.290 nan 0.000 0.501 294 Y N 1.696 122.000 120.300 0.007 0.000 2.326 294 Y HA 0.744 5.297 4.550 0.005 0.000 0.324 294 Y C 1.265 177.134 175.900 -0.052 0.000 1.291 294 Y CA -0.756 57.347 58.100 0.006 0.000 1.348 294 Y CB 0.510 39.020 38.460 0.083 0.000 1.294 294 Y HN 0.013 nan 8.280 nan 0.000 0.525 295 R N 1.550 122.126 120.500 0.126 0.000 2.490 295 R HA 0.303 4.646 4.340 0.005 0.000 0.278 295 R C -0.789 175.490 176.300 -0.034 0.000 1.069 295 R CA -0.369 55.731 56.100 -0.002 0.000 1.080 295 R CB 0.518 30.830 30.300 0.020 0.000 1.030 295 R HN 0.561 nan 8.270 nan 0.000 0.491 296 M N 2.719 122.281 119.600 -0.062 0.000 2.101 296 M HA 0.272 4.755 4.480 0.005 0.000 0.340 296 M C 0.284 176.550 176.300 -0.056 0.000 1.057 296 M CA -0.442 54.803 55.300 -0.093 0.000 0.984 296 M CB 1.064 33.610 32.600 -0.091 0.000 1.560 296 M HN 0.198 nan 8.290 nan 0.000 0.435 297 R N 2.848 123.298 120.500 -0.085 0.000 2.280 297 R HA 0.595 4.938 4.340 0.005 0.000 0.326 297 R C -0.975 175.294 176.300 -0.052 0.000 1.080 297 R CA -0.080 55.991 56.100 -0.049 0.000 1.002 297 R CB 0.473 30.715 30.300 -0.098 0.000 1.136 297 R HN 0.799 nan 8.270 nan 0.000 0.509 298 A N 3.986 126.801 122.820 -0.009 0.000 2.409 298 A HA 0.188 4.511 4.320 0.005 0.000 0.267 298 A C -0.196 177.394 177.584 0.010 0.000 1.127 298 A CA -0.266 51.772 52.037 0.002 0.000 0.795 298 A CB 0.773 19.784 19.000 0.019 0.000 1.061 298 A HN 0.740 nan 8.150 nan 0.000 0.502 299 Q N 2.021 121.830 119.800 0.015 0.000 2.359 299 Q HA 0.764 5.107 4.340 0.005 0.000 0.275 299 Q C -0.573 175.444 176.000 0.028 0.000 1.082 299 Q CA -0.361 55.454 55.803 0.020 0.000 0.849 299 Q CB 1.283 30.044 28.738 0.039 0.000 1.377 299 Q HN 0.746 nan 8.270 nan 0.000 0.452 300 M N 1.115 120.705 119.600 -0.017 0.000 2.649 300 M HA 0.412 4.895 4.480 0.005 0.000 0.294 300 M C -0.113 176.216 176.300 0.048 0.000 1.206 300 M CA -0.916 54.365 55.300 -0.033 0.000 0.928 300 M CB 1.078 33.480 32.600 -0.330 0.000 1.571 300 M HN 0.778 nan 8.290 nan 0.000 0.501 301 N N -0.463 118.338 118.700 0.169 0.000 2.520 301 N HA 0.150 4.893 4.740 0.005 0.000 0.273 301 N C 0.169 175.784 175.510 0.174 0.000 1.155 301 N CA 0.136 53.294 53.050 0.181 0.000 0.967 301 N CB 0.877 39.494 38.487 0.217 0.000 1.092 301 N HN 0.712 nan 8.380 nan 0.000 0.457 302 T N -0.319 114.275 114.554 0.067 0.000 2.966 302 T HA 0.141 4.494 4.350 0.005 0.000 0.254 302 T C 1.399 176.071 174.700 -0.047 0.000 0.961 302 T CA -0.226 61.890 62.100 0.027 0.000 0.915 302 T CB -0.230 68.633 68.868 -0.009 0.000 1.186 302 T HN 0.471 nan 8.240 nan 0.000 0.505 303 K N 0.605 120.925 120.400 -0.133 0.000 1.973 303 K HA -0.009 4.314 4.320 0.005 0.000 0.210 303 K C -0.090 176.318 176.600 -0.321 0.000 1.045 303 K CA 1.120 57.208 56.287 -0.333 0.000 0.937 303 K CB -0.109 32.019 32.500 -0.621 0.000 0.721 303 K HN 0.383 nan 8.250 nan 0.000 0.438 304 Y N 0.983 121.314 120.300 0.052 0.000 2.826 304 Y HA 0.271 4.824 4.550 0.005 0.000 0.371 304 Y C 0.093 176.003 175.900 0.017 0.000 1.252 304 Y CA -0.165 57.960 58.100 0.042 0.000 1.813 304 Y CB -0.136 38.361 38.460 0.061 0.000 1.913 304 Y HN 0.123 nan 8.280 nan 0.000 0.447 305 M N 0.430 120.082 119.600 0.087 0.000 2.602 305 M HA 0.499 4.982 4.480 0.005 0.000 0.312 305 M C -0.872 175.432 176.300 0.007 0.000 1.181 305 M CA -0.301 55.016 55.300 0.029 0.000 0.910 305 M CB 2.337 34.942 32.600 0.009 0.000 1.723 305 M HN 0.212 nan 8.290 nan 0.000 0.459 306 E N 0.981 121.167 120.200 -0.023 0.000 2.475 306 E HA 0.594 4.947 4.350 0.005 0.000 0.221 306 E C -0.524 176.033 176.600 -0.071 0.000 0.793 306 E CA -0.055 56.324 56.400 -0.035 0.000 0.922 306 E CB 1.935 31.624 29.700 -0.019 0.000 1.778 306 E HN 0.793 nan 8.360 nan 0.000 0.392 307 A N 0.277 123.052 122.820 -0.075 0.000 2.251 307 A HA 0.075 4.398 4.320 0.005 0.000 0.209 307 A C 0.800 178.315 177.584 -0.114 0.000 1.187 307 A CA 0.341 52.313 52.037 -0.108 0.000 0.823 307 A CB -0.005 18.937 19.000 -0.097 0.000 0.846 307 A HN 0.134 nan 8.150 nan 0.000 0.486 308 S N 0.216 115.863 115.700 -0.087 0.000 2.489 308 S HA 0.290 4.763 4.470 0.005 0.000 0.277 308 S C 1.517 176.058 174.600 -0.098 0.000 1.230 308 S CA 0.228 58.382 58.200 -0.077 0.000 1.053 308 S CB 0.696 63.867 63.200 -0.048 0.000 0.955 308 S HN 0.585 nan 8.310 nan 0.000 0.488 309 T N 3.159 117.651 114.554 -0.103 0.000 2.985 309 T HA -0.009 4.344 4.350 0.005 0.000 0.266 309 T C 1.811 176.483 174.700 -0.046 0.000 1.076 309 T CA 0.369 62.408 62.100 -0.101 0.000 1.135 309 T CB -0.191 68.612 68.868 -0.108 0.000 0.890 309 T HN 0.636 nan 8.240 nan 0.000 0.480 310 R N 1.300 121.784 120.500 -0.026 0.000 2.070 310 R HA -0.130 4.213 4.340 0.005 0.000 0.233 310 R C 2.488 178.763 176.300 -0.041 0.000 1.137 310 R CA 1.863 57.954 56.100 -0.014 0.000 0.945 310 R CB -0.472 29.826 30.300 -0.003 0.000 0.845 310 R HN 0.631 nan 8.270 nan 0.000 0.430 311 E N -0.225 119.944 120.200 -0.053 0.000 2.070 311 E HA -0.240 4.113 4.350 0.005 0.000 0.197 311 E C 1.776 178.303 176.600 -0.122 0.000 1.004 311 E CA 1.635 57.995 56.400 -0.067 0.000 0.805 311 E CB -0.146 29.521 29.700 -0.056 0.000 0.744 311 E HN 0.503 nan 8.360 nan 0.000 0.451 312 A N 0.095 122.811 122.820 -0.174 0.000 1.898 312 A HA -0.151 4.172 4.320 0.005 0.000 0.216 312 A C 2.387 179.655 177.584 -0.527 0.000 1.181 312 A CA 1.939 53.755 52.037 -0.369 0.000 0.620 312 A CB -0.912 17.911 19.000 -0.296 0.000 0.819 312 A HN 0.327 nan 8.150 nan 0.000 0.442 313 T N -0.058 114.370 114.554 -0.210 0.000 2.635 313 T HA -0.162 4.191 4.350 0.005 0.000 0.267 313 T C 1.889 176.562 174.700 -0.045 0.000 1.040 313 T CA 1.869 63.934 62.100 -0.059 0.000 1.156 313 T CB -0.501 68.381 68.868 0.024 0.000 0.863 313 T HN 0.176 nan 8.240 nan 0.000 0.430 314 V N 1.336 121.219 119.914 -0.053 0.000 2.407 314 V HA -0.179 3.944 4.120 0.005 0.000 0.248 314 V C 2.727 178.812 176.094 -0.015 0.000 1.055 314 V CA 2.019 64.308 62.300 -0.018 0.000 1.049 314 V CB -1.145 30.668 31.823 -0.017 0.000 0.662 314 V HN 0.529 nan 8.190 nan 0.000 0.455 315 T N -1.240 113.272 114.554 -0.070 0.000 2.904 315 T HA -0.152 4.201 4.350 0.005 0.000 0.267 315 T C 1.665 176.411 174.700 0.077 0.000 1.059 315 T CA 1.536 63.623 62.100 -0.021 0.000 1.137 315 T CB -0.351 68.492 68.868 -0.043 0.000 0.879 315 T HN 0.667 nan 8.240 nan 0.000 0.467 316 H N -0.082 119.017 119.070 0.049 0.000 2.457 316 H HA 0.032 4.591 4.556 0.005 0.000 0.294 316 H C 2.249 177.608 175.328 0.052 0.000 1.064 316 H CA 0.521 56.601 56.048 0.053 0.000 1.330 316 H CB 0.061 29.854 29.762 0.051 0.000 1.395 316 H HN 0.135 nan 8.280 nan 0.000 0.541 317 V N 1.047 121.053 119.914 0.154 0.000 2.427 317 V HA -0.226 3.898 4.120 0.005 0.000 0.248 317 V C 2.298 178.444 176.094 0.087 0.000 1.051 317 V CA 1.356 63.719 62.300 0.105 0.000 1.048 317 V CB -0.406 31.462 31.823 0.075 0.000 0.666 317 V HN 0.363 nan 8.190 nan 0.000 0.456 318 L N 0.058 121.330 121.223 0.082 0.000 2.046 318 L HA -0.192 4.151 4.340 0.005 0.000 0.208 318 L C 2.280 179.202 176.870 0.087 0.000 1.077 318 L CA 1.950 56.834 54.840 0.073 0.000 0.747 318 L CB -0.924 41.174 42.059 0.065 0.000 0.896 318 L HN 0.425 nan 8.230 nan 0.000 0.432 319 N N 0.167 118.934 118.700 0.113 0.000 2.104 319 N HA -0.200 4.543 4.740 0.005 0.000 0.190 319 N C 1.980 177.542 175.510 0.086 0.000 1.024 319 N CA 1.004 54.121 53.050 0.113 0.000 0.853 319 N CB -0.166 38.407 38.487 0.144 0.000 1.008 319 N HN 0.272 nan 8.380 nan 0.000 0.424 320 L N 0.536 121.810 121.223 0.086 0.000 2.083 320 L HA -0.153 4.190 4.340 0.005 0.000 0.209 320 L C 2.321 179.224 176.870 0.055 0.000 1.083 320 L CA 0.511 55.391 54.840 0.067 0.000 0.752 320 L CB -0.278 41.824 42.059 0.071 0.000 0.899 320 L HN 0.243 nan 8.230 nan 0.000 0.433 321 L N -0.237 121.020 121.223 0.057 0.000 2.046 321 L HA -0.211 4.132 4.340 0.005 0.000 0.208 321 L C 2.383 179.278 176.870 0.042 0.000 1.077 321 L CA 1.729 56.596 54.840 0.046 0.000 0.747 321 L CB -0.532 41.554 42.059 0.045 0.000 0.896 321 L HN 0.073 nan 8.230 nan 0.000 0.432 322 I N -0.527 120.074 120.570 0.051 0.000 2.151 322 I HA -0.301 3.872 4.170 0.005 0.000 0.243 322 I C 2.490 178.626 176.117 0.032 0.000 1.080 322 I CA 1.591 62.919 61.300 0.047 0.000 1.339 322 I CB -1.473 36.566 38.000 0.065 0.000 1.039 322 I HN 0.280 nan 8.210 nan 0.000 0.409 323 S N 0.314 116.035 115.700 0.034 0.000 2.399 323 S HA -0.187 4.286 4.470 0.005 0.000 0.231 323 S C 1.966 176.576 174.600 0.016 0.000 1.022 323 S CA 1.250 59.464 58.200 0.022 0.000 0.983 323 S CB -0.100 63.118 63.200 0.030 0.000 0.803 323 S HN 0.267 nan 8.310 nan 0.000 0.480 324 K N 1.881 122.294 120.400 0.022 0.000 2.062 324 K HA 0.161 4.484 4.320 0.005 0.000 0.205 324 K C 1.616 178.222 176.600 0.010 0.000 1.051 324 K CA 0.987 57.285 56.287 0.017 0.000 0.941 324 K CB -0.627 31.886 32.500 0.022 0.000 0.719 324 K HN 0.310 nan 8.250 nan 0.000 0.440 325 L N 0.659 121.889 121.223 0.012 0.000 2.549 325 L HA -0.094 4.249 4.340 0.005 0.000 0.230 325 L C 1.426 178.295 176.870 -0.002 0.000 1.162 325 L CA 1.221 56.065 54.840 0.007 0.000 0.834 325 L CB -0.833 41.232 42.059 0.011 0.000 0.947 325 L HN 0.440 nan 8.230 nan 0.000 0.452 326 T N -3.192 111.359 114.554 -0.005 0.000 1.832 326 T HA 0.304 4.657 4.350 0.005 0.000 0.171 326 T C 0.066 174.753 174.700 -0.020 0.000 0.718 326 T CA -0.629 61.462 62.100 -0.016 0.000 0.980 326 T CB 1.034 69.887 68.868 -0.025 0.000 3.173 326 T HN 0.079 nan 8.240 nan 0.000 0.399 327 R N 0.238 120.721 120.500 -0.027 0.000 2.668 327 R HA 0.706 5.049 4.340 0.005 0.000 0.272 327 R C -2.279 174.004 176.300 -0.028 0.000 1.019 327 R CA -0.553 55.528 56.100 -0.031 0.000 0.894 327 R CB 1.980 32.254 30.300 -0.045 0.000 1.228 327 R HN 0.923 nan 8.270 nan 0.000 0.460 328 A N 3.383 126.192 122.820 -0.018 0.000 2.599 328 A HA 0.268 4.591 4.320 0.005 0.000 0.281 328 A C -0.474 177.119 177.584 0.014 0.000 1.137 328 A CA -0.735 51.302 52.037 -0.001 0.000 0.767 328 A CB 1.054 20.067 19.000 0.021 0.000 1.266 328 A HN 0.927 nan 8.150 nan 0.000 0.420 329 D N 1.419 121.816 120.400 -0.005 0.000 2.117 329 D HA -0.011 4.632 4.640 0.005 0.000 0.198 329 D C 0.442 176.888 176.300 0.242 0.000 0.982 329 D CA 1.518 55.517 54.000 -0.003 0.000 0.828 329 D CB 0.377 41.059 40.800 -0.198 0.000 0.967 329 D HN 0.594 nan 8.370 nan 0.000 0.464 330 I N 0.866 121.576 120.570 0.233 0.000 2.433 330 I HA 0.169 4.342 4.170 0.005 0.000 0.292 330 I C -0.381 175.828 176.117 0.154 0.000 1.001 330 I CA -0.749 60.711 61.300 0.267 0.000 1.119 330 I CB 2.092 40.245 38.000 0.254 0.000 1.289 330 I HN -0.276 nan 8.210 nan 0.000 0.438 331 Q N 4.636 124.526 119.800 0.150 0.000 2.394 331 Q HA 0.381 4.725 4.340 0.005 0.000 0.259 331 Q C -0.982 175.079 176.000 0.101 0.000 1.021 331 Q CA -0.206 55.656 55.803 0.099 0.000 0.805 331 Q CB 1.469 30.255 28.738 0.080 0.000 1.226 331 Q HN 0.672 nan 8.270 nan 0.000 0.476 332 S N 1.823 117.564 115.700 0.069 0.000 2.632 332 S HA 0.699 5.173 4.470 0.005 0.000 0.267 332 S C -0.287 174.310 174.600 -0.005 0.000 1.276 332 S CA -0.219 58.003 58.200 0.037 0.000 0.998 332 S CB 0.991 64.197 63.200 0.010 0.000 0.953 332 S HN 0.768 nan 8.310 nan 0.000 0.547 333 T N -0.844 113.694 114.554 -0.026 0.000 2.903 333 T HA 0.691 5.044 4.350 0.005 0.000 0.299 333 T C -1.047 173.597 174.700 -0.094 0.000 1.093 333 T CA -0.773 61.282 62.100 -0.074 0.000 1.002 333 T CB 0.759 69.614 68.868 -0.022 0.000 1.127 333 T HN 0.290 nan 8.240 nan 0.000 0.488 334 I N 3.268 123.719 120.570 -0.198 0.000 2.465 334 I HA 0.343 4.516 4.170 0.005 0.000 0.291 334 I C 0.948 177.047 176.117 -0.029 0.000 1.014 334 I CA -0.422 60.801 61.300 -0.128 0.000 1.093 334 I CB 1.907 39.790 38.000 -0.195 0.000 1.267 334 I HN 1.065 nan 8.210 nan 0.000 0.431 335 T N 4.054 118.630 114.554 0.036 0.000 2.901 335 T HA 0.227 4.580 4.350 0.005 0.000 0.301 335 T C -1.896 172.852 174.700 0.080 0.000 1.012 335 T CA -1.262 60.889 62.100 0.085 0.000 1.135 335 T CB 0.701 69.615 68.868 0.078 0.000 0.936 335 T HN 0.381 nan 8.240 nan 0.000 0.539 336 P HA 0.031 nan 4.420 nan 0.000 0.239 336 P C 0.682 177.862 177.300 -0.199 0.000 1.184 336 P CA 0.523 63.641 63.100 0.030 0.000 0.760 336 P CB -0.008 31.731 31.700 0.065 0.000 0.884 337 D N -1.653 118.527 120.400 -0.367 0.000 2.369 337 D HA -0.050 4.593 4.640 0.005 0.000 0.211 337 D C 1.456 177.538 176.300 -0.364 0.000 1.077 337 D CA -0.000 53.645 54.000 -0.592 0.000 0.842 337 D CB -0.603 39.498 40.800 -1.164 0.000 0.947 337 D HN -0.070 nan 8.370 nan 0.000 0.509 338 E N 1.129 121.208 120.200 -0.201 0.000 2.197 338 E HA -0.176 4.177 4.350 0.005 0.000 0.205 338 E C 1.647 178.162 176.600 -0.141 0.000 1.029 338 E CA 1.661 57.983 56.400 -0.131 0.000 0.828 338 E CB -0.389 29.281 29.700 -0.049 0.000 0.737 338 E HN 0.543 nan 8.360 nan 0.000 0.464 339 G N -0.954 107.755 108.800 -0.152 0.000 3.189 339 G HA2 0.016 3.979 3.960 0.005 0.000 0.225 339 G HA3 0.016 3.979 3.960 0.005 0.000 0.225 339 G C 1.498 176.304 174.900 -0.158 0.000 1.159 339 G CA -0.269 44.754 45.100 -0.128 0.000 0.763 339 G HN 0.081 nan 8.290 nan 0.000 0.549 340 R N -0.212 120.149 120.500 -0.231 0.000 2.164 340 R HA 0.205 4.548 4.340 0.005 0.000 0.198 340 R C 0.405 176.559 176.300 -0.243 0.000 1.028 340 R CA 0.597 56.547 56.100 -0.251 0.000 1.083 340 R CB 0.331 30.415 30.300 -0.360 0.000 1.026 340 R HN 0.486 nan 8.270 nan 0.000 0.514 341 N N -1.347 117.175 118.700 -0.296 0.000 3.116 341 N HA 0.047 4.790 4.740 0.005 0.000 0.244 341 N C -0.951 174.436 175.510 -0.206 0.000 1.485 341 N CA -0.655 52.249 53.050 -0.243 0.000 0.884 341 N CB 1.553 39.859 38.487 -0.303 0.000 1.415 341 N HN -0.284 nan 8.380 nan 0.000 0.524 342 V N 1.051 120.903 119.914 -0.104 0.000 2.493 342 V HA 0.157 4.280 4.120 0.005 0.000 0.292 342 V C -1.912 174.162 176.094 -0.033 0.000 1.016 342 V CA -0.578 61.688 62.300 -0.057 0.000 1.097 342 V CB -0.332 31.468 31.823 -0.039 0.000 0.947 342 V HN 0.581 nan 8.190 nan 0.000 0.479 343 P HA -0.114 nan 4.420 nan 0.000 0.259 343 P C -0.445 176.961 177.300 0.177 0.000 1.155 343 P CA 0.551 63.659 63.100 0.014 0.000 0.759 343 P CB 0.204 31.932 31.700 0.047 0.000 0.753 344 W N 2.793 124.117 121.300 0.040 0.000 2.166 344 W HA 0.157 4.822 4.660 0.008 0.000 0.364 344 W C 2.027 178.528 176.519 -0.030 0.000 1.344 344 W CA -0.363 56.952 57.345 -0.050 0.000 1.471 344 W CB -0.868 28.632 29.460 0.066 0.000 1.220 344 W HN 0.521 nan 8.180 nan 0.000 0.666 345 H N 1.111 120.318 119.070 0.228 0.000 2.319 345 H HA -0.169 4.390 4.556 0.005 0.000 0.299 345 H C 1.938 177.292 175.328 0.043 0.000 1.092 345 H CA 2.542 58.645 56.048 0.091 0.000 1.302 345 H CB -0.788 28.982 29.762 0.012 0.000 1.373 345 H HN 0.443 nan 8.280 nan 0.000 0.497 346 I N -1.916 118.731 120.570 0.128 0.000 2.830 346 I HA -0.157 4.016 4.170 0.005 0.000 0.263 346 I C 1.560 177.529 176.117 -0.247 0.000 1.230 346 I CA 1.254 62.484 61.300 -0.116 0.000 1.480 346 I CB -0.429 37.435 38.000 -0.226 0.000 1.095 346 I HN -0.066 nan 8.210 nan 0.000 0.455 347 Y N 1.253 121.617 120.300 0.106 0.000 2.476 347 Y HA 0.127 4.680 4.550 0.005 0.000 0.283 347 Y C 2.179 178.106 175.900 0.045 0.000 1.109 347 Y CA 0.631 58.760 58.100 0.047 0.000 1.246 347 Y CB -0.712 37.737 38.460 -0.018 0.000 1.068 347 Y HN 0.158 nan 8.280 nan 0.000 0.552 348 N N 0.381 119.184 118.700 0.172 0.000 2.104 348 N HA -0.185 4.558 4.740 0.005 0.000 0.190 348 N C 1.392 176.942 175.510 0.066 0.000 1.024 348 N CA 1.613 54.730 53.050 0.113 0.000 0.853 348 N CB -0.325 38.230 38.487 0.113 0.000 1.008 348 N HN 0.113 nan 8.380 nan 0.000 0.424 349 I N 1.400 121.968 120.570 -0.004 0.000 2.394 349 I HA -0.158 4.015 4.170 0.005 0.000 0.251 349 I C 1.987 178.104 176.117 -0.001 0.000 1.136 349 I CA 1.042 62.273 61.300 -0.116 0.000 1.425 349 I CB -0.479 37.304 38.000 -0.361 0.000 1.079 349 I HN 0.206 nan 8.210 nan 0.000 0.425 350 E N 0.429 120.651 120.200 0.036 0.000 2.077 350 E HA -0.222 4.131 4.350 0.005 0.000 0.193 350 E C 2.331 179.012 176.600 0.135 0.000 0.989 350 E CA 1.370 57.831 56.400 0.102 0.000 0.800 350 E CB -0.239 29.554 29.700 0.155 0.000 0.746 350 E HN 0.508 nan 8.360 nan 0.000 0.452 351 A N 1.426 124.326 122.820 0.134 0.000 1.841 351 A HA -0.233 4.091 4.320 0.005 0.000 0.216 351 A C 2.623 180.272 177.584 0.109 0.000 1.199 351 A CA 1.704 53.813 52.037 0.119 0.000 0.621 351 A CB -1.179 17.875 19.000 0.090 0.000 0.835 351 A HN 0.393 nan 8.150 nan 0.000 0.445 352 C N -0.482 118.885 119.300 0.111 0.000 2.376 352 C HA -0.169 4.294 4.460 0.005 0.000 0.275 352 C C 2.422 177.498 174.990 0.142 0.000 1.200 352 C CA 1.257 60.350 59.018 0.126 0.000 1.756 352 C CB -1.589 26.245 27.740 0.158 0.000 2.050 352 C HN 0.640 nan 8.230 nan 0.000 0.460 353 D N 0.239 120.745 120.400 0.177 0.000 2.116 353 D HA -0.113 4.530 4.640 0.005 0.000 0.193 353 D C 2.258 178.634 176.300 0.126 0.000 0.998 353 D CA 1.841 55.944 54.000 0.172 0.000 0.836 353 D CB -0.619 40.301 40.800 0.199 0.000 0.951 353 D HN 0.439 nan 8.370 nan 0.000 0.449 354 T N 0.029 114.657 114.554 0.124 0.000 2.746 354 T HA -0.099 4.254 4.350 0.005 0.000 0.267 354 T C 1.899 176.658 174.700 0.099 0.000 1.039 354 T CA 1.455 63.624 62.100 0.114 0.000 1.142 354 T CB -0.259 68.688 68.868 0.133 0.000 0.866 354 T HN 0.202 nan 8.240 nan 0.000 0.444 355 A N 1.408 124.284 122.820 0.094 0.000 1.898 355 A HA -0.038 4.285 4.320 0.005 0.000 0.216 355 A C 2.196 179.823 177.584 0.071 0.000 1.181 355 A CA 1.764 53.848 52.037 0.078 0.000 0.620 355 A CB -0.486 18.557 19.000 0.072 0.000 0.819 355 A HN 0.463 nan 8.150 nan 0.000 0.442 356 K N -0.477 119.966 120.400 0.073 0.000 2.147 356 K HA -0.222 4.101 4.320 0.005 0.000 0.205 356 K C 2.259 178.890 176.600 0.053 0.000 1.049 356 K CA 1.746 58.066 56.287 0.056 0.000 0.936 356 K CB -0.138 32.396 32.500 0.056 0.000 0.722 356 K HN 0.673 nan 8.250 nan 0.000 0.446 357 Q N -0.346 119.494 119.800 0.067 0.000 2.062 357 Q HA -0.065 4.278 4.340 0.005 0.000 0.196 357 Q C 1.942 177.978 176.000 0.059 0.000 0.967 357 Q CA 1.087 56.930 55.803 0.067 0.000 0.832 357 Q CB -0.129 28.658 28.738 0.082 0.000 0.899 357 Q HN 0.366 nan 8.270 nan 0.000 0.442 358 A N 1.121 123.978 122.820 0.062 0.000 1.877 358 A HA -0.155 4.168 4.320 0.005 0.000 0.216 358 A C 2.082 179.693 177.584 0.045 0.000 1.186 358 A CA 1.233 53.303 52.037 0.055 0.000 0.620 358 A CB -0.776 18.261 19.000 0.063 0.000 0.822 358 A HN 0.447 nan 8.150 nan 0.000 0.443 359 L N -0.511 120.741 121.223 0.047 0.000 2.027 359 L HA -0.153 4.190 4.340 0.005 0.000 0.206 359 L C 2.412 179.306 176.870 0.040 0.000 1.074 359 L CA 0.783 55.648 54.840 0.042 0.000 0.745 359 L CB -0.442 41.643 42.059 0.043 0.000 0.898 359 L HN 0.287 nan 8.230 nan 0.000 0.433 360 I N 0.343 120.937 120.570 0.040 0.000 2.361 360 I HA -0.188 3.985 4.170 0.005 0.000 0.251 360 I C 2.602 178.752 176.117 0.054 0.000 1.133 360 I CA 1.622 62.953 61.300 0.052 0.000 1.413 360 I CB -1.841 36.179 38.000 0.033 0.000 1.073 360 I HN 0.245 nan 8.210 nan 0.000 0.424 361 G N 0.367 109.186 108.800 0.031 0.000 2.432 361 G HA2 -0.212 3.751 3.960 0.005 0.000 0.219 361 G HA3 -0.212 3.751 3.960 0.005 0.000 0.219 361 G C 1.448 176.345 174.900 -0.006 0.000 1.135 361 G CA 0.157 45.259 45.100 0.004 0.000 0.767 361 G HN 0.349 nan 8.290 nan 0.000 0.550 362 M N 1.212 120.819 119.600 0.012 0.000 2.608 362 M HA 0.166 4.649 4.480 0.005 0.000 0.224 362 M C -0.012 176.294 176.300 0.010 0.000 1.204 362 M CA -0.267 55.038 55.300 0.008 0.000 0.984 362 M CB -0.078 32.532 32.600 0.017 0.000 1.691 362 M HN 0.056 nan 8.290 nan 0.000 0.469 363 D N 0.943 121.352 120.400 0.015 0.000 2.487 363 D HA 0.140 4.784 4.640 0.005 0.000 0.243 363 D C 1.270 177.569 176.300 -0.001 0.000 1.154 363 D CA 1.326 55.346 54.000 0.034 0.000 0.876 363 D CB 0.525 41.374 40.800 0.082 0.000 1.161 363 D HN 0.526 nan 8.370 nan 0.000 0.478 364 G N 3.366 112.171 108.800 0.009 0.000 2.321 364 G HA2 -0.324 3.639 3.960 0.005 0.000 0.287 364 G HA3 -0.324 3.639 3.960 0.005 0.000 0.287 364 G C 0.880 175.773 174.900 -0.012 0.000 1.018 364 G CA 0.647 45.745 45.100 -0.004 0.000 0.855 364 G HN 0.598 nan 8.290 nan 0.000 0.507 365 L N -0.756 120.463 121.223 -0.008 0.000 2.083 365 L HA 0.125 4.468 4.340 0.005 0.000 0.209 365 L C 2.478 179.344 176.870 -0.007 0.000 1.083 365 L CA 2.271 57.106 54.840 -0.009 0.000 0.752 365 L CB -0.238 41.819 42.059 -0.003 0.000 0.899 365 L HN 0.300 nan 8.230 nan 0.000 0.433 366 M N -0.875 118.723 119.600 -0.004 0.000 2.659 366 M HA -0.027 4.456 4.480 0.005 0.000 0.243 366 M C 1.061 177.357 176.300 -0.006 0.000 1.111 366 M CA 0.616 55.914 55.300 -0.004 0.000 1.070 366 M CB -1.179 31.418 32.600 -0.004 0.000 1.525 366 M HN 0.219 nan 8.290 nan 0.000 0.517 367 D N -0.272 120.123 120.400 -0.008 0.000 2.347 367 D HA 0.100 4.743 4.640 0.005 0.000 0.213 367 D C 1.709 178.003 176.300 -0.010 0.000 0.985 367 D CA 0.751 54.746 54.000 -0.010 0.000 0.879 367 D CB 0.323 41.116 40.800 -0.012 0.000 0.919 367 D HN 0.329 nan 8.370 nan 0.000 0.526 368 M N -0.820 118.773 119.600 -0.011 0.000 2.279 368 M HA 0.179 4.662 4.480 0.005 0.000 0.299 368 M C -0.229 176.067 176.300 -0.007 0.000 0.970 368 M CA 0.164 55.458 55.300 -0.011 0.000 1.065 368 M CB 2.318 34.909 32.600 -0.015 0.000 1.669 368 M HN -0.319 nan 8.290 nan 0.000 0.582 369 V N 1.316 121.227 119.914 -0.005 0.000 3.007 369 V HA 0.499 4.622 4.120 0.005 0.000 0.311 369 V C -0.996 175.097 176.094 -0.001 0.000 1.120 369 V CA -0.596 61.703 62.300 -0.002 0.000 0.980 369 V CB 2.583 34.406 31.823 0.000 0.000 1.033 369 V HN 0.385 nan 8.190 nan 0.000 0.429 370 Q N 3.073 122.874 119.800 0.001 0.000 2.575 370 Q HA 0.611 4.954 4.340 0.005 0.000 0.290 370 Q C -2.002 173.999 176.000 0.001 0.000 0.963 370 Q CA -0.994 54.809 55.803 -0.000 0.000 0.783 370 Q CB 2.106 30.842 28.738 -0.002 0.000 1.467 370 Q HN 0.573 nan 8.270 nan 0.000 0.402 371 L N 1.813 123.035 121.223 -0.001 0.000 2.410 371 L HA 0.288 4.631 4.340 0.005 0.000 0.273 371 L C 0.504 177.373 176.870 -0.002 0.000 1.144 371 L CA -0.229 54.610 54.840 -0.002 0.000 0.863 371 L CB 0.245 42.300 42.059 -0.006 0.000 1.140 371 L HN 0.562 nan 8.230 nan 0.000 0.463 372 K N 3.046 123.446 120.400 -0.000 0.000 2.199 372 K HA -0.056 4.267 4.320 0.005 0.000 0.226 372 K C 1.170 177.769 176.600 -0.003 0.000 1.237 372 K CA -0.124 56.164 56.287 0.002 0.000 1.170 372 K CB 0.043 32.547 32.500 0.007 0.000 1.418 372 K HN 0.356 nan 8.250 nan 0.000 0.255 373 R N 1.262 121.761 120.500 -0.003 0.000 2.096 373 R HA -0.092 4.251 4.340 0.005 0.000 0.235 373 R C -0.051 176.248 176.300 -0.001 0.000 1.127 373 R CA 1.486 57.583 56.100 -0.004 0.000 0.968 373 R CB 0.159 30.457 30.300 -0.002 0.000 0.861 373 R HN 0.277 nan 8.270 nan 0.000 0.440 374 E N 0.185 120.386 120.200 0.002 0.000 2.167 374 E HA 0.486 4.839 4.350 0.005 0.000 0.284 374 E C 0.203 176.806 176.600 0.006 0.000 1.016 374 E CA 0.377 56.780 56.400 0.005 0.000 0.817 374 E CB 1.083 30.787 29.700 0.006 0.000 1.080 374 E HN 0.458 nan 8.360 nan 0.000 0.397 375 G N 0.609 109.413 108.800 0.006 0.000 2.291 375 G HA2 -0.175 3.788 3.960 0.005 0.000 0.249 375 G HA3 -0.175 3.788 3.960 0.005 0.000 0.249 375 G C 0.360 175.262 174.900 0.004 0.000 1.340 375 G CA -0.299 44.807 45.100 0.010 0.000 1.017 375 G HN 0.349 nan 8.290 nan 0.000 0.470 376 V N 0.386 120.302 119.914 0.002 0.000 2.407 376 V HA -0.053 4.070 4.120 0.005 0.000 0.248 376 V C 2.797 178.850 176.094 -0.067 0.000 1.055 376 V CA 3.180 65.471 62.300 -0.014 0.000 1.049 376 V CB -0.439 31.393 31.823 0.014 0.000 0.662 376 V HN 1.015 nan 8.190 nan 0.000 0.455 377 L N 1.298 122.472 121.223 -0.082 0.000 1.970 377 L HA 0.017 4.360 4.340 0.005 0.000 0.212 377 L C 2.447 179.297 176.870 -0.033 0.000 1.071 377 L CA 2.816 57.606 54.840 -0.084 0.000 0.751 377 L CB -1.520 40.500 42.059 -0.066 0.000 0.889 377 L HN 0.312 nan 8.230 nan 0.000 0.432 378 G N -1.177 107.614 108.800 -0.014 0.000 2.446 378 G HA2 -0.316 3.647 3.960 0.005 0.000 0.217 378 G HA3 -0.316 3.647 3.960 0.005 0.000 0.217 378 G C 1.258 176.167 174.900 0.014 0.000 1.168 378 G CA 0.972 46.074 45.100 0.003 0.000 0.771 378 G HN 0.465 nan 8.290 nan 0.000 0.551 379 D N 0.224 120.632 120.400 0.014 0.000 2.103 379 D HA -0.095 4.548 4.640 0.005 0.000 0.190 379 D C 2.818 179.142 176.300 0.040 0.000 0.997 379 D CA 1.745 55.761 54.000 0.027 0.000 0.833 379 D CB -0.851 39.965 40.800 0.028 0.000 0.961 379 D HN 0.239 nan 8.370 nan 0.000 0.447 380 T N 0.636 115.208 114.554 0.031 0.000 2.652 380 T HA -0.138 4.215 4.350 0.005 0.000 0.267 380 T C 2.254 177.001 174.700 0.080 0.000 1.039 380 T CA 1.210 63.343 62.100 0.056 0.000 1.153 380 T CB -0.648 68.232 68.868 0.020 0.000 0.863 380 T HN -0.050 nan 8.240 nan 0.000 0.428 381 V N 1.726 121.675 119.914 0.058 0.000 2.370 381 V HA -0.272 3.851 4.120 0.005 0.000 0.252 381 V C 2.644 178.786 176.094 0.081 0.000 1.068 381 V CA 2.197 64.540 62.300 0.072 0.000 1.061 381 V CB -0.605 31.243 31.823 0.041 0.000 0.656 381 V HN 0.326 nan 8.190 nan 0.000 0.455 382 R N 0.576 121.115 120.500 0.065 0.000 2.057 382 R HA -0.151 4.192 4.340 0.005 0.000 0.229 382 R C 2.344 178.692 176.300 0.081 0.000 1.136 382 R CA 2.168 58.306 56.100 0.064 0.000 0.952 382 R CB -0.827 29.501 30.300 0.047 0.000 0.848 382 R HN 0.601 nan 8.270 nan 0.000 0.430 383 E N 0.278 120.529 120.200 0.085 0.000 2.114 383 E HA -0.249 4.104 4.350 0.005 0.000 0.199 383 E C 1.902 178.578 176.600 0.126 0.000 1.008 383 E CA 1.916 58.373 56.400 0.096 0.000 0.810 383 E CB -0.184 29.578 29.700 0.104 0.000 0.739 383 E HN 0.443 nan 8.360 nan 0.000 0.456 384 L N 0.446 121.768 121.223 0.165 0.000 1.989 384 L HA -0.234 4.109 4.340 0.005 0.000 0.211 384 L C 2.729 179.711 176.870 0.187 0.000 1.071 384 L CA 1.779 56.747 54.840 0.213 0.000 0.749 384 L CB -0.483 41.734 42.059 0.265 0.000 0.890 384 L HN 0.064 nan 8.230 nan 0.000 0.431 385 K N 0.093 120.586 120.400 0.155 0.000 2.074 385 K HA -0.227 4.096 4.320 0.005 0.000 0.209 385 K C 1.985 178.655 176.600 0.117 0.000 1.048 385 K CA 1.810 58.177 56.287 0.132 0.000 0.926 385 K CB -0.242 32.316 32.500 0.097 0.000 0.713 385 K HN 0.429 nan 8.250 nan 0.000 0.444 386 E N 0.441 120.702 120.200 0.103 0.000 2.106 386 E HA -0.154 4.199 4.350 0.005 0.000 0.192 386 E C 2.126 178.794 176.600 0.114 0.000 0.984 386 E CA 0.833 57.288 56.400 0.091 0.000 0.806 386 E CB -0.024 29.718 29.700 0.069 0.000 0.750 386 E HN 0.264 nan 8.360 nan 0.000 0.458 387 R N 0.736 121.312 120.500 0.127 0.000 2.081 387 R HA -0.074 4.269 4.340 0.005 0.000 0.235 387 R C 2.400 178.837 176.300 0.229 0.000 1.131 387 R CA 1.161 57.366 56.100 0.175 0.000 0.960 387 R CB -0.314 30.058 30.300 0.121 0.000 0.856 387 R HN 0.096 nan 8.270 nan 0.000 0.436 388 A N 0.606 123.537 122.820 0.184 0.000 1.933 388 A HA -0.107 4.216 4.320 0.005 0.000 0.218 388 A C 2.317 179.984 177.584 0.137 0.000 1.175 388 A CA 1.331 53.461 52.037 0.154 0.000 0.628 388 A CB -0.400 18.696 19.000 0.160 0.000 0.814 388 A HN 0.119 nan 8.150 nan 0.000 0.444 389 V N -0.047 119.945 119.914 0.130 0.000 2.323 389 V HA -0.212 3.912 4.120 0.005 0.000 0.244 389 V C 2.532 178.706 176.094 0.133 0.000 1.041 389 V CA 1.714 64.081 62.300 0.111 0.000 1.025 389 V CB -0.777 31.097 31.823 0.085 0.000 0.656 389 V HN 0.572 nan 8.190 nan 0.000 0.451 390 L N -0.994 120.326 121.223 0.161 0.000 2.021 390 L HA -0.288 4.055 4.340 0.005 0.000 0.215 390 L C 2.349 179.351 176.870 0.219 0.000 1.074 390 L CA 2.221 57.185 54.840 0.206 0.000 0.760 390 L CB -0.673 41.546 42.059 0.267 0.000 0.889 390 L HN 0.300 nan 8.230 nan 0.000 0.433 391 F N -0.235 119.656 119.950 -0.097 0.000 2.043 391 F HA -0.358 4.172 4.527 0.005 0.000 0.297 391 F C 2.719 178.425 175.800 -0.157 0.000 1.121 391 F CA 1.460 59.133 58.000 -0.546 0.000 1.199 391 F CB -0.001 38.528 39.000 -0.786 0.000 0.968 391 F HN -0.009 nan 8.300 nan 0.000 0.478 392 M N 0.037 119.785 119.600 0.246 0.000 2.106 392 M HA -0.282 4.201 4.480 0.005 0.000 0.259 392 M C 2.008 178.408 176.300 0.167 0.000 1.068 392 M CA 1.746 57.158 55.300 0.187 0.000 1.100 392 M CB -1.412 31.258 32.600 0.116 0.000 1.351 392 M HN 0.311 nan 8.290 nan 0.000 0.404 393 E N -0.022 120.266 120.200 0.146 0.000 2.085 393 E HA -0.251 4.102 4.350 0.005 0.000 0.194 393 E C 1.983 178.666 176.600 0.137 0.000 0.994 393 E CA 1.581 58.053 56.400 0.121 0.000 0.801 393 E CB -0.119 29.645 29.700 0.107 0.000 0.743 393 E HN 0.575 nan 8.360 nan 0.000 0.453 394 E N 0.628 120.938 120.200 0.183 0.000 2.107 394 E HA -0.152 4.201 4.350 0.005 0.000 0.191 394 E C 2.101 178.877 176.600 0.294 0.000 0.982 394 E CA 0.557 57.102 56.400 0.241 0.000 0.809 394 E CB 0.008 29.864 29.700 0.261 0.000 0.756 394 E HN 0.207 nan 8.360 nan 0.000 0.459 395 I N 0.755 121.492 120.570 0.279 0.000 2.163 395 I HA -0.308 3.865 4.170 0.005 0.000 0.243 395 I C 2.327 178.473 176.117 0.048 0.000 1.085 395 I CA 1.167 62.546 61.300 0.132 0.000 1.347 395 I CB -0.234 37.891 38.000 0.208 0.000 1.044 395 I HN 0.251 nan 8.210 nan 0.000 0.408 396 I N 0.564 121.182 120.570 0.079 0.000 2.286 396 I HA -0.274 3.899 4.170 0.005 0.000 0.245 396 I C 2.670 178.808 176.117 0.034 0.000 1.104 396 I CA 1.358 62.684 61.300 0.045 0.000 1.397 396 I CB -0.327 37.704 38.000 0.051 0.000 1.072 396 I HN 0.310 nan 8.210 nan 0.000 0.417 397 E N 1.800 122.034 120.200 0.057 0.000 2.204 397 E HA -0.177 4.176 4.350 0.005 0.000 0.194 397 E C 1.865 178.490 176.600 0.041 0.000 0.989 397 E CA 1.106 57.536 56.400 0.051 0.000 0.824 397 E CB -0.015 29.725 29.700 0.067 0.000 0.756 397 E HN 0.445 nan 8.360 nan 0.000 0.477 398 A N 0.624 123.463 122.820 0.032 0.000 2.259 398 A HA 0.319 4.642 4.320 0.005 0.000 0.208 398 A C 1.429 178.977 177.584 -0.060 0.000 1.201 398 A CA 0.623 52.648 52.037 -0.019 0.000 0.824 398 A CB -0.440 18.491 19.000 -0.116 0.000 0.838 398 A HN 0.499 nan 8.150 nan 0.000 0.485 399 G N -1.891 106.889 108.800 -0.035 0.000 2.203 399 G HA2 0.328 4.291 3.960 0.005 0.000 0.231 399 G HA3 0.328 4.291 3.960 0.005 0.000 0.231 399 G C 1.135 176.004 174.900 -0.051 0.000 1.058 399 G CA 0.276 45.356 45.100 -0.033 0.000 0.781 399 G HN 2.401 nan 8.290 nan 0.000 0.496 400 G N -1.744 107.024 108.800 -0.053 0.000 2.757 400 G HA2 0.060 4.023 3.960 0.005 0.000 0.638 400 G HA3 0.060 4.023 3.960 0.005 0.000 0.638 400 G C 0.377 175.235 174.900 -0.071 0.000 1.344 400 G CA 0.461 45.523 45.100 -0.063 0.000 0.855 400 G HN 1.553 nan 8.290 nan 0.000 0.537 401 Y N 0.251 120.412 120.300 -0.233 0.000 2.070 401 Y HA -0.042 4.511 4.550 0.005 0.000 0.280 401 Y C 2.860 178.698 175.900 -0.103 0.000 1.148 401 Y CA 3.184 61.158 58.100 -0.210 0.000 1.125 401 Y CB -0.415 37.808 38.460 -0.395 0.000 0.975 401 Y HN 0.487 nan 8.280 nan 0.000 0.492 402 F N 0.753 120.638 119.950 -0.109 0.000 2.065 402 F HA -0.289 4.241 4.527 0.005 0.000 0.298 402 F C 2.287 177.944 175.800 -0.238 0.000 1.112 402 F CA 1.676 59.561 58.000 -0.191 0.000 1.212 402 F CB -1.568 37.376 39.000 -0.094 0.000 0.975 402 F HN 0.158 nan 8.300 nan 0.000 0.476 403 N N 0.215 118.915 118.700 -0.000 0.000 2.104 403 N HA -0.163 4.580 4.740 0.005 0.000 0.190 403 N C 2.021 177.376 175.510 -0.258 0.000 1.024 403 N CA 1.551 54.541 53.050 -0.100 0.000 0.853 403 N CB -0.828 37.596 38.487 -0.106 0.000 1.008 403 N HN 0.249 nan 8.380 nan 0.000 0.424 404 A N 0.362 122.943 122.820 -0.398 0.000 1.908 404 A HA -0.128 4.195 4.320 0.005 0.000 0.218 404 A C 2.429 179.830 177.584 -0.305 0.000 1.181 404 A CA 1.651 53.260 52.037 -0.713 0.000 0.627 404 A CB -0.799 17.915 19.000 -0.477 0.000 0.818 404 A HN 0.136 nan 8.150 nan 0.000 0.445 405 V N -0.332 119.441 119.914 -0.236 0.000 2.453 405 V HA -0.201 3.922 4.120 0.005 0.000 0.247 405 V C 2.350 178.414 176.094 -0.050 0.000 1.048 405 V CA 1.968 64.191 62.300 -0.128 0.000 1.049 405 V CB -0.736 30.895 31.823 -0.320 0.000 0.672 405 V HN 0.610 nan 8.190 nan 0.000 0.457 406 E N -0.054 120.100 120.200 -0.078 0.000 2.153 406 E HA -0.227 4.126 4.350 0.005 0.000 0.194 406 E C 1.986 178.591 176.600 0.008 0.000 0.988 406 E CA 0.949 57.325 56.400 -0.040 0.000 0.811 406 E CB -0.013 29.658 29.700 -0.048 0.000 0.746 406 E HN 0.666 nan 8.360 nan 0.000 0.466 407 Q N -0.804 119.008 119.800 0.020 0.000 2.322 407 Q HA 0.100 4.443 4.340 0.005 0.000 0.203 407 Q C 0.633 176.808 176.000 0.291 0.000 0.923 407 Q CA 0.315 56.209 55.803 0.152 0.000 0.949 407 Q CB 0.807 29.668 28.738 0.205 0.000 1.039 407 Q HN 0.320 nan 8.270 nan 0.000 0.496 408 G N 0.586 109.522 108.800 0.226 0.000 2.249 408 G HA2 -0.274 3.689 3.960 0.005 0.000 0.273 408 G HA3 -0.274 3.689 3.960 0.005 0.000 0.273 408 G C 0.219 175.314 174.900 0.325 0.000 1.036 408 G CA 0.031 45.267 45.100 0.227 0.000 0.824 408 G HN 0.378 nan 8.290 nan 0.000 0.504 409 F N -0.800 119.205 119.950 0.092 0.000 2.408 409 F HA 0.288 4.818 4.527 0.005 0.000 0.300 409 F C 1.503 177.269 175.800 -0.056 0.000 1.090 409 F CA 0.231 58.225 58.000 -0.010 0.000 1.427 409 F CB -0.246 38.723 39.000 -0.053 0.000 1.070 409 F HN 0.262 nan 8.300 nan 0.000 0.549 410 F N -1.858 118.250 119.950 0.263 0.000 2.470 410 F HA 0.440 4.970 4.527 0.005 0.000 0.329 410 F C 0.996 176.860 175.800 0.107 0.000 1.072 410 F CA -1.012 57.096 58.000 0.180 0.000 0.989 410 F CB 1.302 40.345 39.000 0.072 0.000 1.193 410 F HN -0.446 nan 8.300 nan 0.000 0.481 411 V N 0.152 120.237 119.914 0.285 0.000 3.774 411 V HA -0.293 3.830 4.120 0.005 0.000 0.216 411 V C -0.177 175.993 176.094 0.126 0.000 0.441 411 V CA 1.117 63.533 62.300 0.194 0.000 0.985 411 V CB -2.170 29.755 31.823 0.170 0.000 1.085 411 V HN 0.942 nan 8.190 nan 0.000 1.240 412 D N 0.776 121.243 120.400 0.112 0.000 2.304 412 D HA 0.285 4.928 4.640 0.005 0.000 0.250 412 D C 1.278 177.602 176.300 0.041 0.000 1.107 412 D CA 0.565 54.600 54.000 0.059 0.000 0.885 412 D CB 1.872 42.689 40.800 0.029 0.000 1.192 412 D HN 0.496 nan 8.370 nan 0.000 0.436 413 S N 2.152 117.857 115.700 0.009 0.000 2.701 413 S HA 0.171 4.644 4.470 0.005 0.000 0.220 413 S C 0.841 175.423 174.600 -0.031 0.000 0.954 413 S CA -0.204 57.984 58.200 -0.021 0.000 0.936 413 S CB -0.152 63.027 63.200 -0.034 0.000 0.777 413 S HN 0.448 nan 8.310 nan 0.000 0.518 414 G N 0.204 109.003 108.800 -0.003 0.000 2.502 414 G HA2 0.432 4.395 3.960 0.005 0.000 0.305 414 G HA3 0.432 4.395 3.960 0.005 0.000 0.305 414 G C -1.292 173.668 174.900 0.100 0.000 1.190 414 G CA -0.807 44.300 45.100 0.012 0.000 0.933 414 G HN 0.369 nan 8.290 nan 0.000 0.503 415 Y N 1.210 121.484 120.300 -0.043 0.000 2.595 415 Y HA 0.372 4.926 4.550 0.005 0.000 0.336 415 Y C -0.084 175.830 175.900 0.022 0.000 0.996 415 Y CA -2.305 55.799 58.100 0.006 0.000 1.260 415 Y CB -0.504 37.962 38.460 0.009 0.000 1.108 415 Y HN 0.479 nan 8.280 nan 0.000 0.509 416 Y N 8.684 128.948 120.300 -0.060 0.000 2.987 416 Y HA 0.041 4.594 4.550 0.005 0.000 0.339 416 Y C -1.509 174.186 175.900 -0.342 0.000 1.272 416 Y CA -0.806 57.170 58.100 -0.206 0.000 1.562 416 Y CB 0.801 39.204 38.460 -0.096 0.000 1.253 416 Y HN 0.532 nan 8.280 nan 0.000 0.604 417 P HA -0.002 nan 4.420 nan 0.000 0.256 417 P C -0.787 175.939 177.300 -0.957 0.000 1.384 417 P CA 0.312 62.283 63.100 -1.882 0.000 0.879 417 P CB 0.037 31.072 31.700 -1.109 0.000 1.403 418 E N 1.418 121.288 120.200 -0.551 0.000 2.259 418 E HA 0.163 4.516 4.350 0.005 0.000 0.281 418 E C -0.436 176.008 176.600 -0.259 0.000 1.037 418 E CA -0.669 55.543 56.400 -0.312 0.000 0.854 418 E CB 0.580 30.185 29.700 -0.158 0.000 1.051 418 E HN -0.077 nan 8.360 nan 0.000 0.409 419 R N 4.536 124.890 120.500 -0.243 0.000 2.320 419 R HA 0.211 4.554 4.340 0.005 0.000 0.319 419 R C 0.033 176.258 176.300 -0.124 0.000 0.969 419 R CA -0.456 55.526 56.100 -0.198 0.000 0.857 419 R CB 0.423 30.563 30.300 -0.268 0.000 1.160 419 R HN 0.500 nan 8.270 nan 0.000 0.491 420 N N 2.551 121.202 118.700 -0.082 0.000 2.494 420 N HA 0.039 4.782 4.740 0.005 0.000 0.182 420 N C 0.833 176.317 175.510 -0.044 0.000 1.076 420 N CA 1.092 54.109 53.050 -0.055 0.000 0.908 420 N CB 0.606 39.071 38.487 -0.037 0.000 0.967 420 N HN 0.922 nan 8.380 nan 0.000 0.449 421 G N 1.381 110.153 108.800 -0.046 0.000 2.141 421 G HA2 -0.230 3.733 3.960 0.005 0.000 0.242 421 G HA3 -0.230 3.733 3.960 0.005 0.000 0.242 421 G C -0.018 174.877 174.900 -0.007 0.000 0.982 421 G CA 0.485 45.568 45.100 -0.028 0.000 0.662 421 G HN 0.520 nan 8.290 nan 0.000 0.527 422 D N 0.173 120.572 120.400 -0.002 0.000 2.538 422 D HA 0.407 5.050 4.640 0.005 0.000 0.231 422 D C 1.168 177.485 176.300 0.028 0.000 1.229 422 D CA 0.330 54.336 54.000 0.010 0.000 0.828 422 D CB -0.189 40.613 40.800 0.004 0.000 1.035 422 D HN 0.648 nan 8.370 nan 0.000 0.495 423 G N 0.481 109.305 108.800 0.041 0.000 2.606 423 G HA2 0.365 4.328 3.960 0.005 0.000 0.252 423 G HA3 0.365 4.328 3.960 0.005 0.000 0.252 423 G C 0.099 175.042 174.900 0.071 0.000 1.206 423 G CA -0.585 44.559 45.100 0.074 0.000 0.861 423 G HN 0.145 nan 8.290 nan 0.000 0.561 424 I N 1.281 121.899 120.570 0.079 0.000 2.452 424 I HA 0.248 4.421 4.170 0.005 0.000 0.287 424 I C 0.854 176.997 176.117 0.043 0.000 1.079 424 I CA -0.475 60.851 61.300 0.043 0.000 1.387 424 I CB 0.539 38.544 38.000 0.008 0.000 1.404 424 I HN 0.429 nan 8.210 nan 0.000 0.522 425 A N 8.599 131.434 122.820 0.025 0.000 2.260 425 A HA 0.607 4.930 4.320 0.005 0.000 0.312 425 A C 0.078 177.649 177.584 -0.021 0.000 1.321 425 A CA -0.730 51.317 52.037 0.016 0.000 0.928 425 A CB 0.350 19.364 19.000 0.022 0.000 1.158 425 A HN 0.539 nan 8.150 nan 0.000 0.542 426 R N 1.822 122.294 120.500 -0.046 0.000 2.428 426 R HA 0.441 4.784 4.340 0.005 0.000 0.294 426 R C -0.605 175.650 176.300 -0.076 0.000 1.000 426 R CA -0.767 55.291 56.100 -0.071 0.000 0.960 426 R CB 0.722 30.962 30.300 -0.100 0.000 1.076 426 R HN 0.688 nan 8.270 nan 0.000 0.475 427 Q N 1.584 121.337 119.800 -0.077 0.000 2.267 427 Q HA 0.132 4.475 4.340 0.005 0.000 0.255 427 Q C 1.235 177.158 176.000 -0.128 0.000 0.923 427 Q CA -0.109 55.644 55.803 -0.083 0.000 0.925 427 Q CB 1.097 29.796 28.738 -0.066 0.000 1.195 427 Q HN 0.652 nan 8.270 nan 0.000 0.417 428 I N 1.450 121.927 120.570 -0.155 0.000 2.454 428 I HA -0.209 3.964 4.170 0.005 0.000 0.254 428 I C 0.746 176.723 176.117 -0.233 0.000 1.156 428 I CA 1.734 62.877 61.300 -0.263 0.000 1.433 428 I CB 0.028 37.850 38.000 -0.297 0.000 1.082 428 I HN 0.639 nan 8.210 nan 0.000 0.432 429 N N 0.193 118.804 118.700 -0.149 0.000 2.230 429 N HA 0.191 4.934 4.740 0.005 0.000 0.202 429 N C 0.786 176.238 175.510 -0.096 0.000 1.119 429 N CA 0.392 53.371 53.050 -0.119 0.000 0.851 429 N CB 0.434 38.868 38.487 -0.089 0.000 0.990 429 N HN 0.458 nan 8.380 nan 0.000 0.497 430 G N -0.512 108.230 108.800 -0.096 0.000 2.820 430 G HA2 0.641 4.604 3.960 0.005 0.000 0.291 430 G HA3 0.641 4.604 3.960 0.005 0.000 0.291 430 G C -0.037 174.822 174.900 -0.069 0.000 1.323 430 G CA -0.165 44.893 45.100 -0.071 0.000 1.055 430 G HN 0.377 nan 8.290 nan 0.000 0.520 431 G N -1.458 107.314 108.800 -0.046 0.000 2.662 431 G HA2 0.101 4.064 3.960 0.005 0.000 0.686 431 G HA3 0.101 4.064 3.960 0.005 0.000 0.686 431 G C -0.231 174.663 174.900 -0.011 0.000 1.271 431 G CA -0.585 44.496 45.100 -0.031 0.000 0.816 431 G HN 0.932 nan 8.290 nan 0.000 0.608 432 I N 1.519 122.104 120.570 0.024 0.000 2.845 432 I HA 0.276 4.450 4.170 0.005 0.000 0.290 432 I C 1.834 177.967 176.117 0.027 0.000 1.202 432 I CA 2.160 63.493 61.300 0.054 0.000 1.406 432 I CB -0.709 37.379 38.000 0.145 0.000 1.383 432 I HN 2.325 nan 8.210 nan 0.000 0.549 433 G N 4.586 113.397 108.800 0.018 0.000 2.157 433 G HA2 -0.139 3.824 3.960 0.005 0.000 0.239 433 G HA3 -0.139 3.824 3.960 0.005 0.000 0.239 433 G C 0.537 175.421 174.900 -0.026 0.000 0.982 433 G CA -0.001 45.103 45.100 0.006 0.000 0.650 433 G HN 1.086 nan 8.290 nan 0.000 0.527 434 A N 0.216 123.014 122.820 -0.037 0.000 2.561 434 A HA 0.604 4.927 4.320 0.005 0.000 0.234 434 A C 1.995 179.534 177.584 -0.074 0.000 1.055 434 A CA 1.692 53.690 52.037 -0.064 0.000 0.756 434 A CB -0.158 18.806 19.000 -0.061 0.000 0.986 434 A HN 2.385 nan 8.150 nan 0.000 0.505 435 G N 1.665 110.401 108.800 -0.108 0.000 2.338 435 G HA2 -0.086 3.877 3.960 0.005 0.000 0.296 435 G HA3 -0.086 3.877 3.960 0.005 0.000 0.296 435 G C 0.493 175.274 174.900 -0.198 0.000 1.040 435 G CA 1.232 46.244 45.100 -0.147 0.000 1.004 435 G HN 2.383 nan 8.290 nan 0.000 0.509 436 T N -3.805 110.622 114.554 -0.211 0.000 3.337 436 T HA 0.508 4.861 4.350 0.005 0.000 0.299 436 T C 0.188 174.705 174.700 -0.305 0.000 0.998 436 T CA 0.330 62.292 62.100 -0.230 0.000 0.948 436 T CB 0.676 69.540 68.868 -0.006 0.000 1.170 436 T HN 0.773 nan 8.240 nan 0.000 0.508 437 V N 2.313 121.991 119.914 -0.393 0.000 2.407 437 V HA 0.599 4.723 4.120 0.005 0.000 0.278 437 V C -0.680 175.139 176.094 -0.460 0.000 1.037 437 V CA -0.796 61.347 62.300 -0.261 0.000 0.900 437 V CB 0.225 31.976 31.823 -0.121 0.000 0.983 437 V HN 0.427 nan 8.190 nan 0.000 0.459 438 F N 1.894 121.859 119.950 0.025 0.000 2.469 438 F HA 0.430 4.960 4.527 0.005 0.000 0.332 438 F C 0.598 176.400 175.800 0.004 0.000 1.103 438 F CA -0.749 57.264 58.000 0.022 0.000 0.979 438 F CB 1.376 40.400 39.000 0.039 0.000 1.137 438 F HN 0.538 nan 8.300 nan 0.000 0.463 439 E N 3.092 123.384 120.200 0.154 0.000 2.413 439 E HA 0.103 4.456 4.350 0.005 0.000 0.263 439 E C -0.357 176.271 176.600 0.046 0.000 1.015 439 E CA -0.462 55.977 56.400 0.065 0.000 0.916 439 E CB 0.648 30.372 29.700 0.041 0.000 0.947 439 E HN 0.543 nan 8.360 nan 0.000 0.440 440 R N 3.182 123.654 120.500 -0.046 0.000 2.389 440 R HA 0.113 4.456 4.340 0.005 0.000 0.295 440 R C -0.549 175.703 176.300 -0.080 0.000 1.075 440 R CA -0.396 55.633 56.100 -0.117 0.000 1.005 440 R CB 0.622 30.762 30.300 -0.266 0.000 0.987 440 R HN 0.506 nan 8.270 nan 0.000 0.452 441 D N 1.212 121.636 120.400 0.041 0.000 2.294 441 D HA -0.015 4.628 4.640 0.005 0.000 0.250 441 D C 1.053 177.356 176.300 0.006 0.000 1.058 441 D CA -0.294 53.725 54.000 0.032 0.000 0.950 441 D CB 1.139 41.996 40.800 0.094 0.000 1.158 441 D HN 0.495 nan 8.370 nan 0.000 0.453 442 E N 0.567 120.758 120.200 -0.015 0.000 2.114 442 E HA -0.238 4.115 4.350 0.005 0.000 0.199 442 E C 0.170 176.893 176.600 0.204 0.000 1.008 442 E CA 1.287 57.703 56.400 0.026 0.000 0.810 442 E CB 0.153 29.879 29.700 0.044 0.000 0.739 442 E HN 0.465 nan 8.360 nan 0.000 0.456 443 D N -0.834 119.673 120.400 0.178 0.000 2.434 443 D HA -0.087 4.556 4.640 0.005 0.000 0.232 443 D C 0.021 176.452 176.300 0.219 0.000 1.166 443 D CA -0.363 53.754 54.000 0.194 0.000 0.830 443 D CB -1.155 39.716 40.800 0.119 0.000 0.960 443 D HN 0.176 nan 8.370 nan 0.000 0.497 444 Y N 1.349 121.772 120.300 0.207 0.000 2.442 444 Y HA 0.310 4.863 4.550 0.005 0.000 0.330 444 Y C -0.039 175.951 175.900 0.150 0.000 1.129 444 Y CA -0.226 57.978 58.100 0.173 0.000 1.365 444 Y CB 0.592 39.172 38.460 0.200 0.000 1.233 444 Y HN -0.047 nan 8.280 nan 0.000 0.529 445 M N 5.726 124.881 119.600 -0.741 0.000 2.413 445 M HA 0.667 5.150 4.480 0.005 0.000 0.287 445 M C -2.112 173.758 176.300 -0.717 0.000 1.186 445 M CA -0.589 54.414 55.300 -0.496 0.000 0.927 445 M CB 2.040 34.485 32.600 -0.257 0.000 1.715 445 M HN 0.756 nan 8.290 nan 0.000 0.478 446 A N 5.323 127.836 122.820 -0.512 0.000 2.343 446 A HA 0.890 5.213 4.320 0.005 0.000 0.308 446 A C -2.705 174.700 177.584 -0.299 0.000 1.092 446 A CA -1.165 50.609 52.037 -0.439 0.000 0.751 446 A CB 1.245 19.891 19.000 -0.590 0.000 1.203 446 A HN 0.530 nan 8.150 nan 0.000 0.452 447 P HA 0.326 nan 4.420 nan 0.000 0.211 447 P C -0.437 176.784 177.300 -0.132 0.000 1.856 447 P CA 0.006 62.993 63.100 -0.189 0.000 0.962 447 P CB -0.186 31.391 31.700 -0.205 0.000 1.785 448 V N -3.247 116.600 119.914 -0.111 0.000 3.182 448 V HA 0.684 4.808 4.120 0.005 0.000 0.308 448 V C -0.305 175.745 176.094 -0.072 0.000 1.240 448 V CA -0.934 61.313 62.300 -0.089 0.000 1.063 448 V CB 1.427 33.201 31.823 -0.082 0.000 1.076 448 V HN -0.028 nan 8.190 nan 0.000 0.446 449 T N 1.288 115.765 114.554 -0.129 0.000 2.897 449 T HA 0.629 4.982 4.350 0.005 0.000 0.294 449 T C 0.707 175.302 174.700 -0.174 0.000 1.004 449 T CA 0.574 62.575 62.100 -0.164 0.000 1.106 449 T CB 0.922 69.601 68.868 -0.314 0.000 0.949 449 T HN 2.502 nan 8.240 nan 0.000 0.520 450 A N 1.268 124.048 122.820 -0.068 0.000 2.846 450 A HA -0.181 4.142 4.320 0.005 0.000 0.287 450 A C 0.125 177.759 177.584 0.082 0.000 1.469 450 A CA 0.915 52.955 52.037 0.005 0.000 0.757 450 A CB -2.664 16.284 19.000 -0.087 0.000 1.033 450 A HN 1.078 nan 8.150 nan 0.000 0.516 451 H N -2.068 117.022 119.070 0.033 0.000 2.482 451 H HA 0.649 5.208 4.556 0.005 0.000 0.344 451 H C 0.569 175.986 175.328 0.149 0.000 1.151 451 H CA 0.259 56.365 56.048 0.096 0.000 1.300 451 H CB 0.442 30.254 29.762 0.083 0.000 1.494 451 H HN 0.545 nan 8.280 nan 0.000 0.542 452 F N 2.043 121.721 119.950 -0.454 0.000 2.553 452 F HA 0.425 4.955 4.527 0.005 0.000 0.282 452 F C 0.918 176.648 175.800 -0.118 0.000 1.089 452 F CA 0.634 58.514 58.000 -0.202 0.000 1.411 452 F CB 0.132 39.026 39.000 -0.176 0.000 1.125 452 F HN 0.590 nan 8.300 nan 0.000 0.610 453 G N -0.730 107.950 108.800 -0.200 0.000 2.537 453 G HA2 0.107 4.070 3.960 0.005 0.000 0.297 453 G HA3 0.107 4.070 3.960 0.005 0.000 0.297 453 G C -1.438 173.510 174.900 0.080 0.000 1.310 453 G CA -0.630 44.408 45.100 -0.102 0.000 1.027 453 G HN 0.323 nan 8.290 nan 0.000 0.505 454 Y N 0.978 121.261 120.300 -0.028 0.000 2.916 454 Y HA 0.010 4.563 4.550 0.005 0.000 0.344 454 Y C 0.054 176.053 175.900 0.164 0.000 1.282 454 Y CA 0.304 58.422 58.100 0.031 0.000 1.604 454 Y CB 0.226 38.694 38.460 0.013 0.000 1.207 454 Y HN 0.387 nan 8.280 nan 0.000 0.561 455 N N 5.887 124.470 118.700 -0.195 0.000 2.576 455 N HA 0.066 4.809 4.740 0.005 0.000 0.269 455 N C -1.776 173.573 175.510 -0.269 0.000 1.058 455 N CA -0.692 52.350 53.050 -0.015 0.000 0.860 455 N CB 0.416 38.953 38.487 0.083 0.000 1.249 455 N HN 0.709 nan 8.380 nan 0.000 0.525 456 N N 3.746 122.338 118.700 -0.180 0.000 2.466 456 N HA 0.068 4.811 4.740 0.005 0.000 0.263 456 N C 0.366 175.877 175.510 0.002 0.000 1.178 456 N CA 0.041 53.030 53.050 -0.102 0.000 0.983 456 N CB 0.343 38.923 38.487 0.154 0.000 1.331 456 N HN 0.291 nan 8.380 nan 0.000 0.500 457 V N 3.609 123.505 119.914 -0.030 0.000 3.125 457 V HA -0.003 4.120 4.120 0.005 0.000 0.249 457 V C 2.106 178.246 176.094 0.076 0.000 1.113 457 V CA 0.425 62.737 62.300 0.020 0.000 1.106 457 V CB -0.375 31.431 31.823 -0.027 0.000 0.768 457 V HN 0.566 nan 8.190 nan 0.000 0.468 458 K N 1.207 121.624 120.400 0.029 0.000 2.117 458 K HA -0.369 3.954 4.320 0.005 0.000 0.215 458 K C 2.109 178.741 176.600 0.055 0.000 1.053 458 K CA 2.623 58.928 56.287 0.031 0.000 0.935 458 K CB -0.306 32.202 32.500 0.013 0.000 0.719 458 K HN 0.767 nan 8.250 nan 0.000 0.460 459 Q N -1.086 118.765 119.800 0.085 0.000 2.561 459 Q HA -0.163 4.180 4.340 0.005 0.000 0.217 459 Q C 0.697 176.647 176.000 -0.083 0.000 0.980 459 Q CA 1.425 57.240 55.803 0.021 0.000 0.927 459 Q CB 0.036 28.809 28.738 0.058 0.000 0.980 459 Q HN 0.513 nan 8.270 nan 0.000 0.525 460 Y N -1.178 119.110 120.300 -0.020 0.000 2.494 460 Y HA 0.313 4.866 4.550 0.005 0.000 0.271 460 Y C -0.220 175.669 175.900 -0.019 0.000 1.113 460 Y CA -0.599 57.489 58.100 -0.021 0.000 1.240 460 Y CB 1.414 39.857 38.460 -0.030 0.000 1.268 460 Y HN 0.094 nan 8.280 nan 0.000 0.510 461 D N -0.184 120.290 120.400 0.123 0.000 2.229 461 D HA 0.084 4.727 4.640 0.005 0.000 0.209 461 D C -0.317 176.006 176.300 0.038 0.000 1.295 461 D CA 0.044 54.082 54.000 0.064 0.000 0.913 461 D CB 0.668 41.506 40.800 0.063 0.000 1.581 461 D HN 0.125 nan 8.370 nan 0.000 0.502 462 E N 1.158 121.371 120.200 0.022 0.000 2.273 462 E HA -0.128 4.225 4.350 0.005 0.000 0.198 462 E C 1.771 178.376 176.600 0.008 0.000 1.002 462 E CA 1.432 57.839 56.400 0.011 0.000 0.828 462 E CB 0.130 29.834 29.700 0.006 0.000 0.747 462 E HN 0.425 nan 8.360 nan 0.000 0.491 463 A N -0.222 122.605 122.820 0.012 0.000 2.169 463 A HA 0.075 4.398 4.320 0.005 0.000 0.212 463 A C 1.481 179.069 177.584 0.007 0.000 1.153 463 A CA 0.434 52.476 52.037 0.009 0.000 0.756 463 A CB 0.248 19.253 19.000 0.010 0.000 0.813 463 A HN 0.145 nan 8.150 nan 0.000 0.471 464 L N -1.345 119.882 121.223 0.008 0.000 2.766 464 L HA 0.204 4.547 4.340 0.005 0.000 0.242 464 L C 1.890 178.757 176.870 -0.006 0.000 1.136 464 L CA 0.499 55.340 54.840 0.002 0.000 0.933 464 L CB 0.258 42.317 42.059 0.001 0.000 1.241 464 L HN 0.109 nan 8.230 nan 0.000 0.522 465 V N 0.045 119.955 119.914 -0.007 0.000 2.278 465 V HA -0.304 3.819 4.120 0.005 0.000 0.251 465 V C 2.012 178.096 176.094 -0.015 0.000 1.062 465 V CA 2.225 64.514 62.300 -0.019 0.000 1.038 465 V CB -0.439 31.370 31.823 -0.023 0.000 0.646 465 V HN 0.709 nan 8.190 nan 0.000 0.447 466 S N -1.043 114.654 115.700 -0.005 0.000 2.768 466 S HA 0.159 4.633 4.470 0.005 0.000 0.246 466 S C 0.399 175.007 174.600 0.013 0.000 1.006 466 S CA 0.036 58.239 58.200 0.005 0.000 1.075 466 S CB 0.040 63.245 63.200 0.008 0.000 0.786 466 S HN 0.543 nan 8.310 nan 0.000 0.468 467 E N 0.282 120.485 120.200 0.005 0.000 3.686 467 E HA 0.213 4.566 4.350 0.005 0.000 0.219 467 E C -2.559 174.034 176.600 -0.011 0.000 1.076 467 E CA -1.078 55.327 56.400 0.008 0.000 1.439 467 E CB 0.300 30.008 29.700 0.014 0.000 1.193 467 E HN 0.180 nan 8.360 nan 0.000 0.382 468 P HA -0.199 nan 4.420 nan 0.000 0.218 468 P C 1.285 178.547 177.300 -0.064 0.000 1.147 468 P CA 1.577 64.645 63.100 -0.053 0.000 0.827 468 P CB 0.211 31.876 31.700 -0.059 0.000 0.778 469 S N -0.347 115.323 115.700 -0.049 0.000 2.399 469 S HA -0.135 4.338 4.470 0.005 0.000 0.231 469 S C 1.698 176.272 174.600 -0.043 0.000 1.022 469 S CA 1.049 59.217 58.200 -0.053 0.000 0.983 469 S CB -0.809 62.364 63.200 -0.044 0.000 0.803 469 S HN 0.257 nan 8.310 nan 0.000 0.480 470 K N 0.551 120.934 120.400 -0.029 0.000 2.280 470 K HA 0.079 4.402 4.320 0.005 0.000 0.202 470 K C 1.640 178.220 176.600 -0.033 0.000 1.047 470 K CA 0.417 56.691 56.287 -0.021 0.000 0.942 470 K CB -0.341 32.155 32.500 -0.008 0.000 0.739 470 K HN 0.161 nan 8.250 nan 0.000 0.457 471 L N 1.046 122.237 121.223 -0.054 0.000 2.187 471 L HA -0.134 4.209 4.340 0.005 0.000 0.213 471 L C 1.604 178.426 176.870 -0.080 0.000 1.100 471 L CA 1.709 56.502 54.840 -0.080 0.000 0.765 471 L CB -0.241 41.735 42.059 -0.138 0.000 0.904 471 L HN 0.257 nan 8.230 nan 0.000 0.437 472 I N -5.993 114.535 120.570 -0.070 0.000 3.621 472 I HA 0.311 4.485 4.170 0.005 0.000 0.325 472 I C -0.495 175.598 176.117 -0.040 0.000 1.554 472 I CA -0.220 61.044 61.300 -0.060 0.000 1.053 472 I CB 0.302 38.258 38.000 -0.074 0.000 1.302 472 I HN -0.117 nan 8.210 nan 0.000 0.518 473 D N 2.106 122.488 120.400 -0.030 0.000 2.907 473 D HA -0.105 4.538 4.640 0.005 0.000 0.226 473 D C 0.676 176.967 176.300 -0.015 0.000 1.141 473 D CA 1.783 55.773 54.000 -0.018 0.000 0.779 473 D CB -1.301 39.491 40.800 -0.013 0.000 1.095 473 D HN 1.141 nan 8.370 nan 0.000 0.430 474 G N -1.041 107.746 108.800 -0.022 0.000 3.019 474 G HA2 -0.017 3.946 3.960 0.005 0.000 0.686 474 G HA3 -0.017 3.946 3.960 0.005 0.000 0.686 474 G C 0.752 175.632 174.900 -0.033 0.000 1.056 474 G CA -0.184 44.903 45.100 -0.021 0.000 0.774 474 G HN 0.998 nan 8.290 nan 0.000 0.583 475 C N 1.179 120.448 119.300 -0.053 0.000 2.644 475 C HA 0.833 5.296 4.460 0.005 0.000 0.330 475 C C 2.573 177.532 174.990 -0.052 0.000 1.606 475 C CA 0.724 59.704 59.018 -0.063 0.000 2.115 475 C CB 0.325 28.007 27.740 -0.096 0.000 1.990 475 C HN 1.843 nan 8.230 nan 0.000 0.581 476 T N -0.580 113.944 114.554 -0.051 0.000 2.849 476 T HA -0.147 4.206 4.350 0.005 0.000 0.270 476 T C 1.423 176.109 174.700 -0.023 0.000 1.066 476 T CA 1.587 63.673 62.100 -0.024 0.000 1.130 476 T CB -0.742 68.121 68.868 -0.009 0.000 0.864 476 T HN 0.656 nan 8.240 nan 0.000 0.481 477 L N -0.062 121.095 121.223 -0.111 0.000 2.362 477 L HA 0.043 4.387 4.340 0.005 0.000 0.219 477 L C 2.535 179.465 176.870 0.099 0.000 1.134 477 L CA 1.219 55.976 54.840 -0.139 0.000 0.807 477 L CB -0.430 41.177 42.059 -0.754 0.000 0.927 477 L HN 0.311 nan 8.230 nan 0.000 0.447 478 E N -1.000 119.229 120.200 0.048 0.000 2.256 478 E HA 0.062 4.415 4.350 0.005 0.000 0.198 478 E C 0.175 176.808 176.600 0.056 0.000 0.908 478 E CA 0.247 56.697 56.400 0.083 0.000 0.915 478 E CB 0.657 30.389 29.700 0.053 0.000 0.890 478 E HN 0.066 nan 8.360 nan 0.000 0.484 479 V N 2.582 122.513 119.914 0.029 0.000 2.276 479 V HA 0.216 4.339 4.120 0.005 0.000 0.268 479 V C -2.231 173.875 176.094 0.020 0.000 1.032 479 V CA -1.179 61.134 62.300 0.021 0.000 0.810 479 V CB 1.170 32.999 31.823 0.010 0.000 1.060 479 V HN 0.031 nan 8.190 nan 0.000 0.446 480 P HA -0.066 nan 4.420 nan 0.000 0.225 480 P C 1.151 178.464 177.300 0.021 0.000 1.148 480 P CA 0.849 63.966 63.100 0.029 0.000 0.779 480 P CB 0.403 32.117 31.700 0.023 0.000 0.780 481 E N -0.305 119.903 120.200 0.014 0.000 2.274 481 E HA -0.106 4.247 4.350 0.005 0.000 0.194 481 E C 1.612 178.224 176.600 0.019 0.000 0.996 481 E CA 0.870 57.277 56.400 0.013 0.000 0.840 481 E CB -0.547 29.157 29.700 0.007 0.000 0.772 481 E HN 0.298 nan 8.360 nan 0.000 0.491 482 K N 0.273 120.684 120.400 0.017 0.000 2.283 482 K HA 0.018 4.341 4.320 0.005 0.000 0.202 482 K C 0.383 177.000 176.600 0.027 0.000 1.048 482 K CA 0.249 56.545 56.287 0.016 0.000 0.948 482 K CB -0.038 32.464 32.500 0.004 0.000 0.742 482 K HN 0.173 nan 8.250 nan 0.000 0.458 483 I N 2.375 122.969 120.570 0.040 0.000 2.752 483 I HA -0.094 4.079 4.170 0.005 0.000 0.289 483 I C -0.004 176.162 176.117 0.082 0.000 1.197 483 I CA -0.071 61.267 61.300 0.062 0.000 1.432 483 I CB 0.595 38.646 38.000 0.084 0.000 1.359 483 I HN -0.207 nan 8.210 nan 0.000 0.571 484 V N 7.794 127.756 119.914 0.080 0.000 2.385 484 V HA 0.068 4.191 4.120 0.005 0.000 0.269 484 V C -0.359 175.814 176.094 0.132 0.000 1.043 484 V CA -0.558 61.797 62.300 0.091 0.000 0.906 484 V CB 0.670 32.523 31.823 0.051 0.000 0.995 484 V HN 0.442 nan 8.190 nan 0.000 0.467 485 Y N 6.196 126.513 120.300 0.029 0.000 2.434 485 Y HA 0.552 5.105 4.550 0.005 0.000 0.341 485 Y C 0.080 175.997 175.900 0.028 0.000 0.965 485 Y CA -0.738 57.382 58.100 0.034 0.000 1.205 485 Y CB 0.656 39.140 38.460 0.039 0.000 1.121 485 Y HN 0.552 nan 8.280 nan 0.000 0.507 486 I N 6.445 126.804 120.570 -0.351 0.000 2.371 486 I HA 0.075 4.248 4.170 0.005 0.000 0.290 486 I C 0.526 176.291 176.117 -0.585 0.000 1.028 486 I CA 0.003 61.108 61.300 -0.325 0.000 1.345 486 I CB 1.396 39.289 38.000 -0.178 0.000 1.407 486 I HN 0.694 nan 8.210 nan 0.000 0.501 487 D N 4.825 125.021 120.400 -0.341 0.000 2.165 487 D HA -0.003 4.640 4.640 0.005 0.000 0.213 487 D C 0.183 176.408 176.300 -0.126 0.000 0.983 487 D CA 1.432 55.292 54.000 -0.232 0.000 0.881 487 D CB 0.604 41.423 40.800 0.031 0.000 1.028 487 D HN 0.416 nan 8.370 nan 0.000 0.457 488 E N -0.414 119.749 120.200 -0.062 0.000 2.356 488 E HA 0.262 4.615 4.350 0.005 0.000 0.275 488 E C 0.293 176.875 176.600 -0.031 0.000 0.904 488 E CA -0.414 55.965 56.400 -0.035 0.000 0.757 488 E CB 2.166 31.866 29.700 -0.000 0.000 1.232 488 E HN 0.113 nan 8.360 nan 0.000 0.442 489 L N -0.206 121.001 121.223 -0.026 0.000 2.379 489 L HA 0.175 4.518 4.340 0.005 0.000 0.190 489 L C 0.948 177.812 176.870 -0.011 0.000 1.111 489 L CA -0.022 54.806 54.840 -0.021 0.000 0.820 489 L CB 0.042 42.086 42.059 -0.025 0.000 1.046 489 L HN 0.478 nan 8.230 nan 0.000 0.485 490 D N 0.815 121.211 120.400 -0.008 0.000 2.443 490 D HA -0.057 4.586 4.640 0.005 0.000 0.239 490 D C 0.154 176.455 176.300 0.002 0.000 1.136 490 D CA 0.589 54.587 54.000 -0.003 0.000 0.879 490 D CB 1.856 42.656 40.800 -0.000 0.000 1.195 490 D HN 0.094 nan 8.370 nan 0.000 0.443 491 E N 1.472 121.674 120.200 0.003 0.000 2.498 491 E HA 0.083 4.436 4.350 0.005 0.000 0.203 491 E C 0.685 177.288 176.600 0.005 0.000 1.013 491 E CA -0.049 56.354 56.400 0.005 0.000 0.927 491 E CB 0.413 30.116 29.700 0.005 0.000 1.012 491 E HN 0.343 nan 8.360 nan 0.000 0.482 492 N N 0.207 118.910 118.700 0.004 0.000 2.414 492 N HA -0.063 4.680 4.740 0.005 0.000 0.189 492 N C 0.105 175.616 175.510 0.002 0.000 1.039 492 N CA 0.478 53.530 53.050 0.003 0.000 0.889 492 N CB -0.034 38.455 38.487 0.002 0.000 1.085 492 N HN -0.011 nan 8.380 nan 0.000 0.442 493 D N 1.674 122.077 120.400 0.005 0.000 2.455 493 D HA 0.132 4.776 4.640 0.005 0.000 0.234 493 D C -0.764 175.546 176.300 0.016 0.000 1.224 493 D CA 0.113 54.117 54.000 0.008 0.000 0.999 493 D CB -0.891 39.916 40.800 0.012 0.000 1.072 493 D HN 0.417 nan 8.370 nan 0.000 0.514 494 N N -0.497 118.212 118.700 0.015 0.000 3.322 494 N HA -0.004 4.739 4.740 0.005 0.000 0.233 494 N C 0.066 175.594 175.510 0.029 0.000 1.399 494 N CA -0.881 52.192 53.050 0.037 0.000 0.894 494 N CB 0.802 39.311 38.487 0.037 0.000 1.440 494 N HN -0.152 nan 8.380 nan 0.000 0.503 495 V N 0.992 120.950 119.914 0.075 0.000 2.332 495 V HA -0.251 3.872 4.120 0.005 0.000 0.248 495 V C 1.448 177.536 176.094 -0.009 0.000 1.055 495 V CA 2.114 64.431 62.300 0.029 0.000 1.038 495 V CB -0.969 30.932 31.823 0.129 0.000 0.651 495 V HN 0.723 nan 8.190 nan 0.000 0.450 496 N N 0.056 118.770 118.700 0.022 0.000 2.069 496 N HA -0.152 4.591 4.740 0.005 0.000 0.191 496 N C 1.751 177.257 175.510 -0.006 0.000 1.031 496 N CA 1.953 55.010 53.050 0.011 0.000 0.852 496 N CB -0.604 37.898 38.487 0.024 0.000 1.018 496 N HN 0.459 nan 8.380 nan 0.000 0.423 497 V N 1.472 121.382 119.914 -0.006 0.000 2.307 497 V HA -0.140 3.983 4.120 0.005 0.000 0.245 497 V C 2.606 178.682 176.094 -0.030 0.000 1.045 497 V CA 1.281 63.573 62.300 -0.013 0.000 1.024 497 V CB -0.420 31.398 31.823 -0.009 0.000 0.651 497 V HN 0.270 nan 8.190 nan 0.000 0.449 498 R N -0.645 119.825 120.500 -0.050 0.000 2.091 498 R HA -0.170 4.173 4.340 0.005 0.000 0.238 498 R C 2.365 178.612 176.300 -0.089 0.000 1.136 498 R CA 1.819 57.865 56.100 -0.091 0.000 0.959 498 R CB -0.207 30.011 30.300 -0.137 0.000 0.856 498 R HN 0.390 nan 8.270 nan 0.000 0.437 499 M N 0.136 119.689 119.600 -0.078 0.000 2.099 499 M HA -0.140 4.343 4.480 0.005 0.000 0.262 499 M C 1.898 178.181 176.300 -0.029 0.000 1.067 499 M CA 1.279 56.540 55.300 -0.066 0.000 1.124 499 M CB -0.451 32.111 32.600 -0.063 0.000 1.353 499 M HN 0.096 nan 8.290 nan 0.000 0.410 500 E N 0.869 121.058 120.200 -0.018 0.000 2.510 500 E HA -0.142 4.211 4.350 0.005 0.000 0.202 500 E C 1.291 177.894 176.600 0.005 0.000 1.072 500 E CA 0.688 57.086 56.400 -0.004 0.000 0.883 500 E CB -0.050 29.648 29.700 -0.003 0.000 0.818 500 E HN 0.563 nan 8.360 nan 0.000 0.548 501 E N -0.887 119.315 120.200 0.003 0.000 2.371 501 E HA -0.034 4.319 4.350 0.005 0.000 0.194 501 E C 0.737 177.373 176.600 0.061 0.000 1.012 501 E CA 0.876 57.289 56.400 0.021 0.000 0.860 501 E CB 0.297 30.001 29.700 0.006 0.000 0.811 501 E HN 0.121 nan 8.360 nan 0.000 0.502 502 T N -1.286 113.308 114.554 0.065 0.000 3.266 502 T HA 0.250 4.603 4.350 0.005 0.000 0.278 502 T C 1.411 176.184 174.700 0.121 0.000 1.010 502 T CA 0.249 62.439 62.100 0.150 0.000 0.909 502 T CB 0.591 69.535 68.868 0.126 0.000 1.122 502 T HN 0.071 nan 8.240 nan 0.000 0.536 503 K N 1.807 122.239 120.400 0.054 0.000 2.052 503 K HA -0.200 4.123 4.320 0.005 0.000 0.215 503 K C 2.419 179.015 176.600 -0.008 0.000 1.053 503 K CA 2.524 58.821 56.287 0.018 0.000 0.934 503 K CB -1.917 30.583 32.500 -0.001 0.000 0.717 503 K HN 0.712 nan 8.250 nan 0.000 0.450 504 E N -0.122 120.044 120.200 -0.056 0.000 2.108 504 E HA -0.170 4.183 4.350 0.005 0.000 0.203 504 E C 1.778 178.216 176.600 -0.270 0.000 1.022 504 E CA 1.690 57.959 56.400 -0.219 0.000 0.823 504 E CB -0.879 28.583 29.700 -0.396 0.000 0.744 504 E HN 0.796 nan 8.360 nan 0.000 0.456 505 F N 0.615 120.560 119.950 -0.008 0.000 2.693 505 F HA 0.259 4.789 4.527 0.006 0.000 0.303 505 F C 1.176 176.967 175.800 -0.014 0.000 1.143 505 F CA 0.322 58.317 58.000 -0.008 0.000 1.389 505 F CB 0.279 39.275 39.000 -0.006 0.000 1.060 505 F HN 0.138 nan 8.300 nan 0.000 0.535 510 M N 2.084 121.661 119.600 -0.039 0.000 2.167 510 M HA 0.556 5.040 4.480 0.005 0.000 0.300 510 M C 0.300 176.714 176.300 0.191 0.000 1.171 510 M CA -0.166 55.144 55.300 0.017 0.000 1.171 510 M CB 0.215 32.716 32.600 -0.165 0.000 1.396 510 M HN 0.643 nan 8.290 nan 0.000 0.466 511 I N 0.414 121.144 120.570 0.267 0.000 2.908 511 I HA 0.501 4.674 4.170 0.005 0.000 0.300 511 I C -1.581 174.658 176.117 0.203 0.000 1.385 511 I CA -0.559 60.892 61.300 0.252 0.000 1.004 511 I CB 2.273 40.344 38.000 0.119 0.000 1.309 511 I HN 0.792 nan 8.210 nan 0.000 0.449 512 K N 5.631 126.057 120.400 0.045 0.000 2.579 512 K HA 0.645 4.968 4.320 0.005 0.000 0.284 512 K C -3.100 173.439 176.600 -0.102 0.000 0.990 512 K CA -1.441 54.826 56.287 -0.032 0.000 0.880 512 K CB 1.579 34.037 32.500 -0.071 0.000 1.488 512 K HN 0.227 nan 8.250 nan 0.000 0.425 513 P HA 0.013 nan 4.420 nan 0.000 0.270 513 P C -1.212 175.984 177.300 -0.174 0.000 1.223 513 P CA 0.172 63.197 63.100 -0.125 0.000 0.785 513 P CB 0.530 32.149 31.700 -0.135 0.000 0.923 514 E N -0.571 119.529 120.200 -0.168 0.000 2.390 514 E HA 0.381 4.735 4.350 0.005 0.000 0.277 514 E C -0.277 176.151 176.600 -0.286 0.000 0.939 514 E CA -0.985 55.298 56.400 -0.196 0.000 0.769 514 E CB 1.483 31.134 29.700 -0.081 0.000 1.251 514 E HN 0.095 nan 8.360 nan 0.000 0.450 515 V N -1.220 118.405 119.914 -0.481 0.000 3.151 515 V HA 0.213 4.336 4.120 0.005 0.000 0.241 515 V C 1.269 176.893 176.094 -0.784 0.000 1.173 515 V CA 1.312 63.165 62.300 -0.745 0.000 1.154 515 V CB -0.489 30.433 31.823 -1.503 0.000 0.898 515 V HN 0.888 nan 8.190 nan 0.000 0.473 516 E N -2.592 117.260 120.200 -0.580 0.000 2.614 516 E HA 0.116 4.470 4.350 0.005 0.000 0.201 516 E C -0.023 176.621 176.600 0.074 0.000 0.889 516 E CA -0.433 55.690 56.400 -0.462 0.000 1.564 516 E CB 0.293 29.763 29.700 -0.384 0.000 1.623 516 E HN 0.457 nan 8.360 nan 0.000 0.898 517 W N 2.910 124.136 121.300 -0.123 0.000 2.606 517 W HA 0.447 5.109 4.660 0.003 0.000 0.332 517 W C -0.011 176.456 176.519 -0.086 0.000 1.052 517 W CA -1.836 55.466 57.345 -0.071 0.000 1.223 517 W CB 1.176 30.588 29.460 -0.079 0.000 1.383 517 W HN 0.063 nan 8.180 nan 0.000 0.524 518 Q N 1.853 121.734 119.800 0.134 0.000 2.478 518 Q HA 0.223 4.566 4.340 0.005 0.000 0.323 518 Q C 1.027 176.963 176.000 -0.107 0.000 1.087 518 Q CA 1.809 57.610 55.803 -0.004 0.000 1.056 518 Q CB 0.164 28.884 28.738 -0.030 0.000 1.018 518 Q HN 0.717 nan 8.270 nan 0.000 0.387 519 A N 3.728 126.414 122.820 -0.224 0.000 2.887 519 A HA -0.260 4.063 4.320 0.005 0.000 0.257 519 A C 0.734 178.168 177.584 -0.250 0.000 1.372 519 A CA 1.237 53.029 52.037 -0.408 0.000 0.879 519 A CB -2.284 16.199 19.000 -0.863 0.000 1.082 519 A HN 1.064 nan 8.150 nan 0.000 0.703 520 D N -1.521 118.795 120.400 -0.141 0.000 2.351 520 D HA 0.264 4.907 4.640 0.005 0.000 0.216 520 D C 1.772 177.959 176.300 -0.188 0.000 0.968 520 D CA 1.707 55.635 54.000 -0.120 0.000 0.899 520 D CB -0.707 40.025 40.800 -0.114 0.000 0.907 520 D HN 1.960 nan 8.370 nan 0.000 0.514 521 G N -0.931 107.735 108.800 -0.223 0.000 2.267 521 G HA2 -0.303 3.660 3.960 0.005 0.000 0.257 521 G HA3 -0.303 3.660 3.960 0.005 0.000 0.257 521 G C 0.563 175.313 174.900 -0.250 0.000 0.998 521 G CA 0.538 45.501 45.100 -0.228 0.000 0.620 521 G HN 0.544 nan 8.290 nan 0.000 0.529 522 T N 1.283 115.656 114.554 -0.302 0.000 2.930 522 T HA 0.500 4.853 4.350 0.005 0.000 0.306 522 T C 0.586 175.052 174.700 -0.389 0.000 1.045 522 T CA 0.579 62.471 62.100 -0.348 0.000 1.134 522 T CB 1.896 70.491 68.868 -0.455 0.000 0.961 522 T HN 1.586 nan 8.240 nan 0.000 0.545 523 V N 1.089 120.838 119.914 -0.275 0.000 3.160 523 V HA 0.882 5.005 4.120 0.005 0.000 0.310 523 V C -1.301 174.766 176.094 -0.046 0.000 1.181 523 V CA -1.334 60.852 62.300 -0.190 0.000 1.047 523 V CB 2.021 33.785 31.823 -0.099 0.000 1.068 523 V HN 0.651 nan 8.190 nan 0.000 0.441 524 L N 1.926 123.198 121.223 0.082 0.000 2.329 524 L HA 0.828 5.171 4.340 0.005 0.000 0.279 524 L C -1.099 175.849 176.870 0.131 0.000 1.014 524 L CA -0.581 54.394 54.840 0.224 0.000 0.814 524 L CB 1.467 43.770 42.059 0.407 0.000 1.257 524 L HN 0.843 nan 8.230 nan 0.000 0.424 525 L N 4.012 125.303 121.223 0.113 0.000 2.325 525 L HA 0.670 5.013 4.340 0.005 0.000 0.281 525 L C -0.739 176.172 176.870 0.070 0.000 1.004 525 L CA 0.165 55.051 54.840 0.077 0.000 0.823 525 L CB 1.842 43.938 42.059 0.062 0.000 1.236 525 L HN 0.736 nan 8.230 nan 0.000 0.415 526 T N 6.136 120.727 114.554 0.062 0.000 2.833 526 T HA 0.681 5.034 4.350 0.005 0.000 0.297 526 T C -0.206 174.524 174.700 0.050 0.000 1.015 526 T CA -0.504 61.631 62.100 0.058 0.000 0.963 526 T CB 0.917 69.824 68.868 0.064 0.000 0.955 526 T HN 0.667 nan 8.240 nan 0.000 0.449 527 M N 1.855 121.486 119.600 0.053 0.000 2.664 527 M HA 0.852 5.335 4.480 0.005 0.000 0.279 527 M C -1.993 174.380 176.300 0.122 0.000 1.275 527 M CA -1.245 54.088 55.300 0.056 0.000 0.829 527 M CB 2.510 35.103 32.600 -0.011 0.000 1.727 527 M HN 0.449 nan 8.290 nan 0.000 0.459 528 F N 2.032 121.960 119.950 -0.037 0.000 2.507 528 F HA 0.734 5.264 4.527 0.005 0.000 0.328 528 F C -2.281 173.504 175.800 -0.025 0.000 1.136 528 F CA -0.660 57.327 58.000 -0.021 0.000 0.930 528 F CB 1.493 40.483 39.000 -0.016 0.000 1.166 528 F HN 0.565 nan 8.300 nan 0.000 0.436 529 L N 7.388 128.208 121.223 -0.672 0.000 2.329 529 L HA 0.527 4.870 4.340 0.005 0.000 0.279 529 L C -2.345 174.024 176.870 -0.835 0.000 1.014 529 L CA -2.095 52.443 54.840 -0.504 0.000 0.814 529 L CB 1.952 43.889 42.059 -0.202 0.000 1.257 529 L HN 0.458 nan 8.230 nan 0.000 0.424 530 P HA 0.161 nan 4.420 nan 0.000 0.237 530 P C -0.401 176.811 177.300 -0.146 0.000 1.788 530 P CA 0.180 63.120 63.100 -0.266 0.000 1.061 530 P CB 0.434 32.136 31.700 0.003 0.000 1.967 531 T N -0.520 113.927 114.554 -0.178 0.000 2.677 531 T HA 0.396 4.750 4.350 0.005 0.000 0.305 531 T C -0.777 173.887 174.700 -0.059 0.000 1.569 531 T CA -0.394 61.660 62.100 -0.077 0.000 0.984 531 T CB 0.527 69.367 68.868 -0.047 0.000 1.629 531 T HN 0.082 nan 8.240 nan 0.000 0.494 532 S N 0.987 116.675 115.700 -0.020 0.000 2.569 532 S HA 0.172 4.645 4.470 0.005 0.000 0.274 532 S C 1.488 176.088 174.600 -0.000 0.000 1.353 532 S CA 0.750 58.947 58.200 -0.003 0.000 1.023 532 S CB 0.516 63.721 63.200 0.010 0.000 0.876 532 S HN 0.957 nan 8.310 nan 0.000 0.540 533 K N 2.308 122.714 120.400 0.010 0.000 2.002 533 K HA -0.175 4.148 4.320 0.005 0.000 0.209 533 K C 2.281 178.911 176.600 0.050 0.000 1.048 533 K CA 1.203 57.498 56.287 0.014 0.000 0.930 533 K CB -0.438 32.070 32.500 0.014 0.000 0.714 533 K HN 0.604 nan 8.250 nan 0.000 0.438 534 R N 1.350 121.900 120.500 0.083 0.000 2.096 534 R HA -0.139 4.204 4.340 0.005 0.000 0.240 534 R C 2.164 178.630 176.300 0.277 0.000 1.139 534 R CA 1.920 58.126 56.100 0.178 0.000 0.952 534 R CB -0.581 29.807 30.300 0.148 0.000 0.854 534 R HN 0.175 nan 8.270 nan 0.000 0.436 535 V N 0.738 120.745 119.914 0.155 0.000 2.261 535 V HA -0.240 3.883 4.120 0.005 0.000 0.246 535 V C 2.428 178.614 176.094 0.155 0.000 1.047 535 V CA 1.956 64.342 62.300 0.143 0.000 1.015 535 V CB -1.082 30.773 31.823 0.053 0.000 0.642 535 V HN 0.597 nan 8.190 nan 0.000 0.446 536 A N -0.200 122.665 122.820 0.076 0.000 1.927 536 A HA -0.370 3.953 4.320 0.005 0.000 0.220 536 A C 2.288 179.906 177.584 0.057 0.000 1.185 536 A CA 2.534 54.592 52.037 0.036 0.000 0.639 536 A CB -0.661 18.317 19.000 -0.038 0.000 0.820 536 A HN 0.697 nan 8.150 nan 0.000 0.451 537 E N -1.156 119.071 120.200 0.045 0.000 2.038 537 E HA -0.201 4.152 4.350 0.005 0.000 0.195 537 E C 1.691 178.225 176.600 -0.109 0.000 1.000 537 E CA 1.563 57.918 56.400 -0.075 0.000 0.803 537 E CB -0.281 29.300 29.700 -0.199 0.000 0.750 537 E HN 0.656 nan 8.360 nan 0.000 0.448 538 F N 0.461 120.413 119.950 0.004 0.000 2.325 538 F HA 0.016 4.546 4.527 0.005 0.000 0.299 538 F C 2.330 178.126 175.800 -0.007 0.000 1.090 538 F CA 0.668 58.666 58.000 -0.003 0.000 1.392 538 F CB -0.208 38.784 39.000 -0.013 0.000 1.053 538 F HN 0.140 nan 8.300 nan 0.000 0.521 539 A N 0.232 123.157 122.820 0.175 0.000 1.897 539 A HA -0.005 4.318 4.320 0.005 0.000 0.215 539 A C 2.422 180.104 177.584 0.163 0.000 1.181 539 A CA 1.450 53.550 52.037 0.105 0.000 0.620 539 A CB -1.200 17.888 19.000 0.147 0.000 0.821 539 A HN 0.275 nan 8.150 nan 0.000 0.443 540 A N 0.323 123.253 122.820 0.184 0.000 1.908 540 A HA -0.105 4.218 4.320 0.005 0.000 0.218 540 A C 2.008 179.677 177.584 0.142 0.000 1.181 540 A CA 1.644 53.801 52.037 0.200 0.000 0.627 540 A CB -0.574 18.477 19.000 0.085 0.000 0.818 540 A HN 0.427 nan 8.150 nan 0.000 0.445 541 I N 0.080 120.683 120.570 0.054 0.000 2.151 541 I HA -0.222 3.951 4.170 0.005 0.000 0.243 541 I C 2.424 178.563 176.117 0.038 0.000 1.080 541 I CA 1.565 62.880 61.300 0.024 0.000 1.339 541 I CB -1.492 36.500 38.000 -0.013 0.000 1.039 541 I HN 0.343 nan 8.210 nan 0.000 0.409 542 E N 0.516 120.719 120.200 0.006 0.000 2.077 542 E HA -0.172 4.181 4.350 0.005 0.000 0.193 542 E C 2.262 178.808 176.600 -0.090 0.000 0.989 542 E CA 1.132 57.485 56.400 -0.080 0.000 0.800 542 E CB -0.426 29.165 29.700 -0.182 0.000 0.746 542 E HN 0.376 nan 8.360 nan 0.000 0.452 543 F N 1.275 121.240 119.950 0.024 0.000 2.095 543 F HA -0.197 4.333 4.527 0.005 0.000 0.298 543 F C 2.489 178.304 175.800 0.025 0.000 1.104 543 F CA 1.191 59.206 58.000 0.024 0.000 1.232 543 F CB -1.015 37.999 39.000 0.023 0.000 0.987 543 F HN 0.005 nan 8.300 nan 0.000 0.475 544 A N -0.054 122.893 122.820 0.210 0.000 1.917 544 A HA -0.263 4.060 4.320 0.005 0.000 0.219 544 A C 2.255 179.889 177.584 0.083 0.000 1.182 544 A CA 2.104 54.213 52.037 0.119 0.000 0.633 544 A CB -0.714 18.333 19.000 0.079 0.000 0.819 544 A HN 0.384 nan 8.150 nan 0.000 0.448 545 K N -0.573 119.863 120.400 0.061 0.000 2.057 545 K HA -0.080 4.243 4.320 0.005 0.000 0.206 545 K C 1.869 178.499 176.600 0.050 0.000 1.050 545 K CA 1.181 57.492 56.287 0.040 0.000 0.935 545 K CB -0.121 32.390 32.500 0.019 0.000 0.715 545 K HN 0.245 nan 8.250 nan 0.000 0.439 546 K N 0.485 120.918 120.400 0.055 0.000 2.280 546 K HA -0.038 4.285 4.320 0.005 0.000 0.202 546 K C 1.531 178.190 176.600 0.098 0.000 1.047 546 K CA 0.984 57.310 56.287 0.065 0.000 0.942 546 K CB 0.007 32.543 32.500 0.060 0.000 0.739 546 K HN 0.260 nan 8.250 nan 0.000 0.457 547 M N 1.087 120.756 119.600 0.114 0.000 2.530 547 M HA 0.043 4.526 4.480 0.005 0.000 0.231 547 M C -0.590 175.781 176.300 0.119 0.000 1.180 547 M CA 0.001 55.370 55.300 0.116 0.000 0.985 547 M CB -0.012 32.657 32.600 0.115 0.000 1.623 547 M HN 0.059 nan 8.290 nan 0.000 0.475 548 N N 0.688 119.452 118.700 0.107 0.000 2.741 548 N HA -0.151 4.592 4.740 0.005 0.000 0.250 548 N C -0.947 174.600 175.510 0.062 0.000 1.115 548 N CA 0.778 53.901 53.050 0.121 0.000 0.724 548 N CB -1.803 36.824 38.487 0.234 0.000 1.090 548 N HN 0.413 nan 8.380 nan 0.000 0.558 549 L N 0.495 121.735 121.223 0.028 0.000 2.307 549 L HA 0.538 4.881 4.340 0.005 0.000 0.282 549 L C 1.053 177.908 176.870 -0.025 0.000 1.051 549 L CA -0.351 54.475 54.840 -0.024 0.000 0.804 549 L CB 1.101 43.153 42.059 -0.012 0.000 1.197 549 L HN 0.232 nan 8.230 nan 0.000 0.431 550 E N 1.241 121.408 120.200 -0.055 0.000 2.222 550 E HA 0.538 4.891 4.350 0.005 0.000 0.272 550 E C 0.574 177.149 176.600 -0.041 0.000 0.982 550 E CA -0.044 56.332 56.400 -0.040 0.000 0.842 550 E CB 1.210 30.882 29.700 -0.047 0.000 1.144 550 E HN 0.817 nan 8.360 nan 0.000 0.397 551 E N -0.677 119.506 120.200 -0.027 0.000 2.476 551 E HA -0.090 4.263 4.350 0.005 0.000 0.251 551 E C 0.359 176.945 176.600 -0.024 0.000 1.130 551 E CA 0.779 57.163 56.400 -0.026 0.000 0.736 551 E CB -2.801 26.880 29.700 -0.033 0.000 1.298 551 E HN 1.335 nan 8.360 nan 0.000 0.400 552 V N 0.371 120.275 119.914 -0.018 0.000 2.694 552 V HA 0.371 4.494 4.120 0.005 0.000 0.306 552 V C 0.729 176.811 176.094 -0.020 0.000 1.054 552 V CA 1.204 63.496 62.300 -0.013 0.000 1.161 552 V CB 1.118 32.937 31.823 -0.006 0.000 0.916 552 V HN 0.622 nan 8.190 nan 0.000 0.490 553 E N 3.097 123.287 120.200 -0.017 0.000 2.291 553 E HA 0.354 4.707 4.350 0.005 0.000 0.276 553 E C -1.356 175.222 176.600 -0.036 0.000 0.896 553 E CA -0.844 55.536 56.400 -0.034 0.000 0.774 553 E CB 2.260 31.945 29.700 -0.026 0.000 1.227 553 E HN 0.375 nan 8.360 nan 0.000 0.413 554 V N 4.508 124.379 119.914 -0.072 0.000 2.485 554 V HA -0.004 4.120 4.120 0.005 0.000 0.287 554 V C 1.125 177.182 176.094 -0.063 0.000 1.022 554 V CA 0.762 63.018 62.300 -0.073 0.000 1.067 554 V CB -0.053 31.696 31.823 -0.122 0.000 0.967 554 V HN 0.730 nan 8.190 nan 0.000 0.479 555 I N 1.417 121.957 120.570 -0.050 0.000 4.240 555 I HA 0.506 4.679 4.170 0.005 0.000 0.331 555 I C 0.297 176.368 176.117 -0.077 0.000 1.381 555 I CA 0.015 61.276 61.300 -0.066 0.000 1.136 555 I CB 0.655 38.613 38.000 -0.069 0.000 1.137 555 I HN 0.619 nan 8.210 nan 0.000 0.411 556 N N 1.718 120.382 118.700 -0.060 0.000 2.600 556 N HA 0.376 5.120 4.740 0.005 0.000 0.272 556 N C -1.622 173.868 175.510 -0.034 0.000 1.095 556 N CA -0.426 52.591 53.050 -0.054 0.000 0.993 556 N CB 1.580 40.029 38.487 -0.063 0.000 1.603 556 N HN 0.162 nan 8.380 nan 0.000 0.526 557 R N 1.767 122.249 120.500 -0.030 0.000 2.514 557 R HA 0.617 4.960 4.340 0.005 0.000 0.301 557 R C -0.663 175.634 176.300 -0.005 0.000 0.962 557 R CA -0.657 55.433 56.100 -0.016 0.000 0.882 557 R CB 1.744 32.032 30.300 -0.020 0.000 1.143 557 R HN 0.464 nan 8.270 nan 0.000 0.452 558 E N 1.561 121.768 120.200 0.012 0.000 2.292 558 E HA 0.265 4.618 4.350 0.005 0.000 0.272 558 E C -1.051 175.572 176.600 0.039 0.000 0.881 558 E CA -0.985 55.428 56.400 0.021 0.000 0.754 558 E CB 2.761 32.475 29.700 0.024 0.000 1.201 558 E HN 0.180 nan 8.360 nan 0.000 0.425 559 V N 4.343 124.278 119.914 0.035 0.000 2.389 559 V HA 0.023 4.146 4.120 0.005 0.000 0.264 559 V C 1.174 177.309 176.094 0.068 0.000 1.049 559 V CA -0.245 62.083 62.300 0.046 0.000 0.932 559 V CB 0.500 32.341 31.823 0.031 0.000 1.011 559 V HN 0.783 nan 8.190 nan 0.000 0.475 560 M N 1.670 121.340 119.600 0.117 0.000 2.081 560 M HA 0.064 4.547 4.480 0.005 0.000 0.261 560 M C 0.831 177.188 176.300 0.096 0.000 1.075 560 M CA 1.573 56.953 55.300 0.133 0.000 1.133 560 M CB -0.436 32.323 32.600 0.265 0.000 1.330 560 M HN 0.711 nan 8.290 nan 0.000 0.414 561 Q N -0.169 119.692 119.800 0.103 0.000 2.320 561 Q HA 0.129 4.472 4.340 0.005 0.000 0.272 561 Q C 0.098 176.129 176.000 0.052 0.000 1.023 561 Q CA -0.027 55.815 55.803 0.066 0.000 0.855 561 Q CB 2.325 31.101 28.738 0.063 0.000 1.367 561 Q HN 0.411 nan 8.270 nan 0.000 0.406 562 E N 2.390 122.612 120.200 0.035 0.000 2.132 562 E HA -0.339 4.014 4.350 0.005 0.000 0.218 562 E C 1.004 177.617 176.600 0.022 0.000 1.058 562 E CA 2.621 59.036 56.400 0.025 0.000 0.882 562 E CB 0.184 29.895 29.700 0.019 0.000 0.774 562 E HN 0.656 nan 8.360 nan 0.000 0.467 563 A N 0.203 123.039 122.820 0.027 0.000 1.903 563 A HA -0.057 4.266 4.320 0.005 0.000 0.213 563 A C 1.977 179.581 177.584 0.034 0.000 1.185 563 A CA 0.877 52.929 52.037 0.024 0.000 0.628 563 A CB -0.170 18.844 19.000 0.024 0.000 0.830 563 A HN 0.172 nan 8.150 nan 0.000 0.446 564 E N -0.350 119.887 120.200 0.061 0.000 2.274 564 E HA 0.211 4.564 4.350 0.005 0.000 0.194 564 E C 0.930 177.625 176.600 0.158 0.000 0.996 564 E CA 0.945 57.409 56.400 0.106 0.000 0.840 564 E CB 0.026 29.797 29.700 0.118 0.000 0.772 564 E HN 0.636 nan 8.360 nan 0.000 0.491 565 G N -1.265 107.590 108.800 0.092 0.000 2.352 565 G HA2 0.178 4.141 3.960 0.005 0.000 0.302 565 G HA3 0.178 4.141 3.960 0.005 0.000 0.302 565 G C -1.141 173.734 174.900 -0.042 0.000 1.370 565 G CA -0.540 44.500 45.100 -0.101 0.000 0.918 565 G HN -0.079 nan 8.290 nan 0.000 0.610 566 T N 0.101 114.468 114.554 -0.311 0.000 3.032 566 T HA 0.548 4.901 4.350 0.005 0.000 0.312 566 T C -0.065 174.614 174.700 -0.035 0.000 1.078 566 T CA -0.680 61.367 62.100 -0.088 0.000 1.028 566 T CB 1.863 70.674 68.868 -0.095 0.000 1.091 566 T HN 0.769 nan 8.240 nan 0.000 0.457 567 R N 3.559 124.135 120.500 0.126 0.000 2.438 567 R HA 0.543 4.886 4.340 0.005 0.000 0.287 567 R C -0.833 175.497 176.300 0.051 0.000 1.077 567 R CA -0.241 55.943 56.100 0.141 0.000 1.034 567 R CB 0.315 30.694 30.300 0.131 0.000 0.993 567 R HN 0.422 nan 8.270 nan 0.000 0.459 568 I N 3.356 123.951 120.570 0.043 0.000 2.582 568 I HA 0.306 4.479 4.170 0.005 0.000 0.292 568 I C -0.697 175.434 176.117 0.023 0.000 1.066 568 I CA -0.610 60.699 61.300 0.015 0.000 1.053 568 I CB 2.179 40.179 38.000 0.000 0.000 1.241 568 I HN 0.792 nan 8.210 nan 0.000 0.421 569 E N 5.796 126.002 120.200 0.009 0.000 2.248 569 E HA 0.699 5.053 4.350 0.005 0.000 0.267 569 E C -1.510 175.099 176.600 0.016 0.000 0.877 569 E CA -0.687 55.725 56.400 0.019 0.000 0.759 569 E CB 3.138 32.843 29.700 0.008 0.000 1.182 569 E HN 0.303 nan 8.360 nan 0.000 0.418 570 L N 2.726 123.976 121.223 0.046 0.000 2.408 570 L HA 0.414 4.757 4.340 0.005 0.000 0.268 570 L C -0.532 176.397 176.870 0.099 0.000 0.986 570 L CA -0.869 54.001 54.840 0.049 0.000 0.820 570 L CB 1.753 43.835 42.059 0.038 0.000 1.303 570 L HN 0.397 nan 8.230 nan 0.000 0.411 571 K N 1.157 121.622 120.400 0.107 0.000 2.143 571 K HA 0.881 5.204 4.320 0.005 0.000 0.272 571 K C -0.366 176.261 176.600 0.046 0.000 1.001 571 K CA -0.494 55.880 56.287 0.145 0.000 0.915 571 K CB 1.875 34.519 32.500 0.240 0.000 1.047 571 K HN 0.656 nan 8.250 nan 0.000 0.458 572 G N 1.865 110.665 108.800 0.000 0.000 2.696 572 G HA2 0.374 4.337 3.960 0.005 0.000 0.295 572 G HA3 0.374 4.337 3.960 0.005 0.000 0.295 572 G C -1.766 173.076 174.900 -0.096 0.000 1.398 572 G CA -1.167 43.910 45.100 -0.038 0.000 0.920 572 G HN 0.714 nan 8.290 nan 0.000 0.492 573 R N 1.086 121.520 120.500 -0.110 0.000 2.294 573 R HA 0.587 4.930 4.340 0.005 0.000 0.319 573 R C -0.751 175.424 176.300 -0.209 0.000 0.984 573 R CA -0.469 55.536 56.100 -0.158 0.000 0.861 573 R CB 1.490 31.708 30.300 -0.137 0.000 1.104 573 R HN 0.264 nan 8.270 nan 0.000 0.451 574 V N 7.689 127.430 119.914 -0.287 0.000 2.508 574 V HA 0.162 4.285 4.120 0.005 0.000 0.281 574 V C -1.543 174.205 176.094 -0.576 0.000 1.041 574 V CA -1.423 60.567 62.300 -0.517 0.000 1.016 574 V CB 1.518 33.036 31.823 -0.509 0.000 0.984 574 V HN 0.884 nan 8.190 nan 0.000 0.478 575 P HA 0.050 nan 4.420 nan 0.000 0.229 575 P C -0.226 176.958 177.300 -0.193 0.000 1.160 575 P CA 0.808 63.703 63.100 -0.342 0.000 0.777 575 P CB 0.125 31.750 31.700 -0.125 0.000 0.814 576 F N -2.943 117.025 119.950 0.030 0.000 2.876 576 F HA 0.791 5.318 4.527 -0.000 0.000 0.358 576 F C -0.230 175.614 175.800 0.073 0.000 1.209 576 F CA -1.569 56.462 58.000 0.051 0.000 1.051 576 F CB 0.118 39.140 39.000 0.037 0.000 1.474 576 F HN -0.493 nan 8.300 nan 0.000 0.521 577 S N 0.006 115.971 115.700 0.441 0.000 2.556 577 S HA 0.687 5.160 4.470 0.005 0.000 0.271 577 S C -1.636 173.096 174.600 0.221 0.000 1.135 577 S CA -0.419 57.968 58.200 0.310 0.000 0.858 577 S CB 2.145 65.537 63.200 0.320 0.000 1.114 577 S HN 0.477 nan 8.310 nan 0.000 0.468 578 I N 2.369 123.044 120.570 0.174 0.000 2.339 578 I HA 0.312 4.485 4.170 0.005 0.000 0.290 578 I C -0.209 175.955 176.117 0.078 0.000 0.994 578 I CA -0.429 60.931 61.300 0.101 0.000 1.191 578 I CB 1.195 39.248 38.000 0.087 0.000 1.343 578 I HN 0.606 nan 8.210 nan 0.000 0.458 579 D N 6.002 126.428 120.400 0.043 0.000 2.390 579 D HA 0.070 4.713 4.640 0.005 0.000 0.249 579 D C 1.278 177.592 176.300 0.022 0.000 1.144 579 D CA -0.015 53.998 54.000 0.023 0.000 0.880 579 D CB 0.947 41.748 40.800 0.003 0.000 1.182 579 D HN 0.279 nan 8.370 nan 0.000 0.451 580 I N 3.577 124.160 120.570 0.021 0.000 2.335 580 I HA -0.253 3.920 4.170 0.005 0.000 0.251 580 I C 1.555 177.676 176.117 0.007 0.000 1.129 580 I CA 0.918 62.227 61.300 0.017 0.000 1.402 580 I CB -0.684 37.325 38.000 0.014 0.000 1.069 580 I HN 0.507 nan 8.210 nan 0.000 0.424 581 N N 0.273 118.974 118.700 0.002 0.000 2.457 581 N HA -0.047 4.696 4.740 0.005 0.000 0.180 581 N C 1.793 177.301 175.510 -0.003 0.000 1.050 581 N CA 0.686 53.735 53.050 -0.002 0.000 0.906 581 N CB -0.066 38.417 38.487 -0.007 0.000 0.968 581 N HN 0.265 nan 8.380 nan 0.000 0.445 582 S N 1.065 116.764 115.700 -0.002 0.000 2.423 582 S HA 0.015 4.488 4.470 0.005 0.000 0.231 582 S C 1.050 175.648 174.600 -0.003 0.000 1.014 582 S CA 0.332 58.530 58.200 -0.004 0.000 0.965 582 S CB -0.080 63.117 63.200 -0.004 0.000 0.785 582 S HN 0.254 nan 8.310 nan 0.000 0.495 583 L N 2.479 123.703 121.223 0.001 0.000 2.410 583 L HA 0.181 4.524 4.340 0.005 0.000 0.273 583 L C -0.429 176.440 176.870 -0.001 0.000 1.152 583 L CA -0.395 54.446 54.840 0.002 0.000 0.855 583 L CB 0.386 42.448 42.059 0.006 0.000 1.129 583 L HN -0.018 nan 8.230 nan 0.000 0.463 584 V N 5.848 125.761 119.914 -0.001 0.000 2.333 584 V HA 0.350 4.473 4.120 0.005 0.000 0.274 584 V C 0.172 176.265 176.094 -0.001 0.000 1.028 584 V CA -0.160 62.138 62.300 -0.002 0.000 0.851 584 V CB 0.944 32.764 31.823 -0.004 0.000 1.000 584 V HN 0.473 nan 8.190 nan 0.000 0.456 585 I N 6.330 126.900 120.570 -0.001 0.000 2.411 585 I HA 0.452 4.625 4.170 0.005 0.000 0.284 585 I C -2.119 173.998 176.117 0.000 0.000 1.012 585 I CA -1.801 59.499 61.300 0.001 0.000 1.119 585 I CB 1.530 39.530 38.000 0.001 0.000 1.261 585 I HN 0.427 nan 8.210 nan 0.000 0.448 586 P HA 0.342 nan 4.420 nan 0.000 0.270 586 P C -2.327 174.974 177.300 0.002 0.000 1.223 586 P CA -0.524 62.577 63.100 0.001 0.000 0.785 586 P CB -0.187 31.514 31.700 0.002 0.000 0.923 592 L N 3.713 124.936 121.223 0.000 0.000 2.325 592 L HA 0.713 5.056 4.340 0.005 0.000 0.279 592 L C 0.716 177.558 176.870 -0.046 0.000 1.054 592 L CA -0.305 54.519 54.840 -0.028 0.000 0.804 592 L CB 1.739 43.772 42.059 -0.044 0.000 1.200 592 L HN 0.698 nan 8.230 nan 0.000 0.436 593 S N 0.420 116.087 115.700 -0.055 0.000 2.738 593 S HA 0.356 4.829 4.470 0.005 0.000 0.284 593 S C 0.886 175.427 174.600 -0.098 0.000 1.146 593 S CA -0.091 58.078 58.200 -0.051 0.000 0.997 593 S CB 1.297 64.483 63.200 -0.024 0.000 1.081 593 S HN 0.655 nan 8.310 nan 0.000 0.553 594 E N -0.392 119.782 120.200 -0.042 0.000 2.478 594 E HA -0.061 4.292 4.350 0.005 0.000 0.198 594 E C 0.910 177.511 176.600 0.002 0.000 1.046 594 E CA 1.152 57.544 56.400 -0.012 0.000 0.870 594 E CB -0.697 29.098 29.700 0.158 0.000 0.818 594 E HN 0.650 nan 8.360 nan 0.000 0.527 595 D N -1.341 119.051 120.400 -0.015 0.000 2.379 595 D HA 0.088 4.731 4.640 0.005 0.000 0.218 595 D C 2.256 178.539 176.300 -0.028 0.000 1.006 595 D CA 1.158 55.156 54.000 -0.003 0.000 0.893 595 D CB 0.304 41.109 40.800 0.008 0.000 1.019 595 D HN 0.574 nan 8.370 nan 0.000 0.503 596 E N 0.824 120.995 120.200 -0.049 0.000 2.170 596 E HA 0.018 4.371 4.350 0.005 0.000 0.191 596 E C 2.079 178.632 176.600 -0.077 0.000 0.981 596 E CA 0.349 56.719 56.400 -0.050 0.000 0.830 596 E CB -0.601 29.073 29.700 -0.043 0.000 0.775 596 E HN 0.244 nan 8.360 nan 0.000 0.470 597 I N -0.278 120.209 120.570 -0.138 0.000 2.353 597 I HA -0.112 4.061 4.170 0.005 0.000 0.248 597 I C 2.857 178.888 176.117 -0.145 0.000 1.119 597 I CA 1.255 62.438 61.300 -0.194 0.000 1.417 597 I CB -0.074 37.688 38.000 -0.396 0.000 1.078 597 I HN 0.203 nan 8.210 nan 0.000 0.421 598 R N 1.228 121.665 120.500 -0.105 0.000 2.081 598 R HA -0.202 4.141 4.340 0.005 0.000 0.235 598 R C 2.462 178.764 176.300 0.003 0.000 1.131 598 R CA 1.957 58.062 56.100 0.007 0.000 0.960 598 R CB -0.236 30.107 30.300 0.072 0.000 0.856 598 R HN 0.412 nan 8.270 nan 0.000 0.436 599 E N 1.019 121.211 120.200 -0.012 0.000 2.031 599 E HA -0.263 4.091 4.350 0.005 0.000 0.193 599 E C 1.558 178.152 176.600 -0.011 0.000 0.994 599 E CA 1.695 58.090 56.400 -0.008 0.000 0.800 599 E CB -1.106 28.587 29.700 -0.011 0.000 0.752 599 E HN 0.612 nan 8.360 nan 0.000 0.447 600 D N -0.528 119.858 120.400 -0.023 0.000 2.228 600 D HA -0.088 4.556 4.640 0.005 0.000 0.203 600 D C 1.639 177.930 176.300 -0.016 0.000 0.988 600 D CA 1.223 55.209 54.000 -0.023 0.000 0.864 600 D CB -0.149 40.630 40.800 -0.036 0.000 0.928 600 D HN 0.544 nan 8.370 nan 0.000 0.469 601 I N -0.713 119.851 120.570 -0.009 0.000 3.427 601 I HA 0.086 4.259 4.170 0.005 0.000 0.288 601 I C 2.489 178.614 176.117 0.013 0.000 1.249 601 I CA 0.720 62.023 61.300 0.005 0.000 1.421 601 I CB -0.159 37.853 38.000 0.020 0.000 1.086 601 I HN 0.082 nan 8.210 nan 0.000 0.448 602 E N 1.864 122.071 120.200 0.012 0.000 2.170 602 E HA -0.123 4.230 4.350 0.005 0.000 0.191 602 E C 2.015 178.620 176.600 0.008 0.000 0.981 602 E CA 0.784 57.192 56.400 0.013 0.000 0.830 602 E CB -0.296 29.413 29.700 0.014 0.000 0.775 602 E HN 0.497 nan 8.360 nan 0.000 0.470 603 K N -0.376 120.026 120.400 0.004 0.000 2.314 603 K HA 0.081 4.405 4.320 0.005 0.000 0.198 603 K C -0.085 176.517 176.600 0.002 0.000 1.045 603 K CA 1.002 57.290 56.287 0.002 0.000 0.988 603 K CB 0.766 33.265 32.500 -0.001 0.000 0.783 603 K HN 0.215 nan 8.250 nan 0.000 0.484 604 T N 2.468 117.023 114.554 0.002 0.000 3.089 604 T HA 0.228 4.581 4.350 0.005 0.000 0.340 604 T C -2.804 171.900 174.700 0.005 0.000 1.008 604 T CA -1.529 60.572 62.100 0.002 0.000 1.096 604 T CB 1.742 70.608 68.868 -0.004 0.000 1.024 604 T HN -0.191 nan 8.240 nan 0.000 0.477 605 P HA 0.111 nan 4.420 nan 0.000 0.264 605 P C -0.829 176.483 177.300 0.020 0.000 1.173 605 P CA -0.510 62.602 63.100 0.019 0.000 0.761 605 P CB 0.433 32.147 31.700 0.023 0.000 0.794 606 L N 3.371 124.610 121.223 0.027 0.000 2.427 606 L HA 0.405 4.748 4.340 0.005 0.000 0.264 606 L C -0.364 176.536 176.870 0.051 0.000 0.989 606 L CA -0.455 54.401 54.840 0.027 0.000 0.865 606 L CB 0.740 42.808 42.059 0.014 0.000 1.209 606 L HN 0.154 nan 8.230 nan 0.000 0.430 607 K N 4.230 124.668 120.400 0.063 0.000 2.159 607 K HA 0.731 5.054 4.320 0.005 0.000 0.266 607 K C -1.433 175.230 176.600 0.105 0.000 0.975 607 K CA -0.654 55.698 56.287 0.108 0.000 0.865 607 K CB 1.307 33.874 32.500 0.112 0.000 1.087 607 K HN 0.565 nan 8.250 nan 0.000 0.446 608 I N 3.953 124.613 120.570 0.151 0.000 2.571 608 I HA 0.139 4.312 4.170 0.005 0.000 0.289 608 I C -0.823 175.400 176.117 0.177 0.000 1.115 608 I CA -0.758 60.623 61.300 0.136 0.000 1.045 608 I CB 2.038 40.109 38.000 0.119 0.000 1.238 608 I HN 0.351 nan 8.210 nan 0.000 0.424 609 V N 3.349 123.348 119.914 0.142 0.000 2.509 609 V HA 0.993 5.116 4.120 0.005 0.000 0.284 609 V C 0.013 176.205 176.094 0.165 0.000 1.047 609 V CA -0.350 62.045 62.300 0.158 0.000 0.952 609 V CB 1.060 32.941 31.823 0.097 0.000 0.988 609 V HN 0.871 nan 8.190 nan 0.000 0.469 610 A N 3.392 126.338 122.820 0.209 0.000 2.515 610 A HA 1.082 5.405 4.320 0.005 0.000 0.298 610 A C -0.234 177.529 177.584 0.298 0.000 1.059 610 A CA -0.135 52.042 52.037 0.233 0.000 0.698 610 A CB 1.847 20.978 19.000 0.219 0.000 1.289 610 A HN 2.520 nan 8.150 nan 0.000 0.404 611 A N 0.074 123.040 122.820 0.242 0.000 2.540 611 A HA 0.783 5.106 4.320 0.005 0.000 0.291 611 A C -0.602 177.085 177.584 0.172 0.000 1.083 611 A CA -0.241 51.906 52.037 0.182 0.000 0.650 611 A CB 0.510 19.530 19.000 0.035 0.000 1.292 611 A HN 1.062 nan 8.150 nan 0.000 0.435 612 T N 1.761 116.390 114.554 0.124 0.000 3.145 612 T HA 0.446 4.799 4.350 0.005 0.000 0.362 612 T C 0.074 174.817 174.700 0.072 0.000 1.340 612 T CA -0.165 62.002 62.100 0.113 0.000 1.069 612 T CB -0.179 68.762 68.868 0.122 0.000 1.129 612 T HN 0.649 nan 8.240 nan 0.000 0.585 613 V N 3.001 122.961 119.914 0.076 0.000 2.928 613 V HA 0.418 4.541 4.120 0.005 0.000 0.307 613 V C 1.339 177.466 176.094 0.054 0.000 1.105 613 V CA 1.275 63.612 62.300 0.061 0.000 1.223 613 V CB -0.238 31.627 31.823 0.070 0.000 0.930 613 V HN 1.193 nan 8.190 nan 0.000 0.499 614 G N 4.300 113.125 108.800 0.042 0.000 2.582 614 G HA2 -0.153 3.810 3.960 0.005 0.000 0.222 614 G HA3 -0.153 3.810 3.960 0.005 0.000 0.222 614 G C -0.357 174.557 174.900 0.023 0.000 1.311 614 G CA -0.119 45.003 45.100 0.038 0.000 0.915 614 G HN 0.737 nan 8.290 nan 0.000 0.528 615 E N 1.035 121.247 120.200 0.020 0.000 2.201 615 E HA 0.338 4.692 4.350 0.005 0.000 0.272 615 E C -0.658 175.938 176.600 -0.006 0.000 1.228 615 E CA -0.239 56.163 56.400 0.004 0.000 1.305 615 E CB 0.532 30.234 29.700 0.004 0.000 1.381 615 E HN 0.395 nan 8.360 nan 0.000 0.475 616 D N 0.633 121.027 120.400 -0.010 0.000 2.433 616 D HA 0.176 4.819 4.640 0.005 0.000 0.236 616 D C 0.138 176.387 176.300 -0.085 0.000 1.026 616 D CA -0.419 53.563 54.000 -0.030 0.000 0.884 616 D CB 1.449 42.274 40.800 0.041 0.000 1.384 616 D HN 0.014 nan 8.370 nan 0.000 0.477 617 E N 0.990 121.054 120.200 -0.227 0.000 2.714 617 E HA 0.052 4.406 4.350 0.005 0.000 0.219 617 E C -0.575 175.895 176.600 -0.217 0.000 0.979 617 E CA -0.190 56.085 56.400 -0.208 0.000 1.092 617 E CB 0.226 29.802 29.700 -0.207 0.000 1.049 617 E HN 0.459 nan 8.360 nan 0.000 0.487 618 H N 0.521 119.610 119.070 0.031 0.000 2.846 618 H HA 0.102 4.661 4.556 0.005 0.000 0.278 618 H C 1.445 176.804 175.328 0.052 0.000 1.117 618 H CA 0.136 56.203 56.048 0.033 0.000 1.406 618 H CB 0.933 30.706 29.762 0.019 0.000 1.445 618 H HN -0.014 nan 8.280 nan 0.000 0.469 619 S N 1.588 117.383 115.700 0.158 0.000 2.475 619 S HA -0.072 4.401 4.470 0.005 0.000 0.224 619 S C 1.891 176.551 174.600 0.100 0.000 1.042 619 S CA 0.268 58.554 58.200 0.143 0.000 0.935 619 S CB -0.130 63.154 63.200 0.139 0.000 0.801 619 S HN 0.346 nan 8.310 nan 0.000 0.509 620 V N 2.854 122.819 119.914 0.085 0.000 2.287 620 V HA -0.088 4.035 4.120 0.005 0.000 0.248 620 V C 2.944 179.056 176.094 0.031 0.000 1.053 620 V CA 2.002 64.330 62.300 0.048 0.000 1.027 620 V CB -1.841 30.009 31.823 0.045 0.000 0.646 620 V HN 0.624 nan 8.190 nan 0.000 0.447 621 G N 0.063 108.887 108.800 0.040 0.000 2.529 621 G HA2 -0.321 3.642 3.960 0.005 0.000 0.219 621 G HA3 -0.321 3.642 3.960 0.005 0.000 0.219 621 G C 1.584 176.496 174.900 0.020 0.000 1.177 621 G CA 1.545 46.661 45.100 0.027 0.000 0.773 621 G HN 0.440 nan 8.290 nan 0.000 0.573 622 L N 0.514 121.754 121.223 0.029 0.000 2.005 622 L HA 0.092 4.435 4.340 0.005 0.000 0.207 622 L C 2.916 179.740 176.870 -0.075 0.000 1.072 622 L CA 1.727 56.569 54.840 0.002 0.000 0.744 622 L CB -0.579 41.509 42.059 0.048 0.000 0.895 622 L HN 0.153 nan 8.230 nan 0.000 0.433 623 R N -0.484 119.951 120.500 -0.108 0.000 2.249 623 R HA -0.142 4.201 4.340 0.005 0.000 0.230 623 R C 1.952 178.204 176.300 -0.079 0.000 1.121 623 R CA 0.980 56.986 56.100 -0.156 0.000 0.997 623 R CB -0.269 29.952 30.300 -0.131 0.000 0.867 623 R HN 0.447 nan 8.270 nan 0.000 0.465 624 E N 0.124 120.305 120.200 -0.032 0.000 2.152 624 E HA -0.107 4.247 4.350 0.005 0.000 0.192 624 E C 1.956 178.546 176.600 -0.016 0.000 0.983 624 E CA 1.383 57.785 56.400 0.004 0.000 0.818 624 E CB 0.117 29.824 29.700 0.011 0.000 0.758 624 E HN 0.332 nan 8.360 nan 0.000 0.467 625 V N -2.077 117.812 119.914 -0.042 0.000 3.608 625 V HA 0.143 4.266 4.120 0.005 0.000 0.269 625 V C 1.701 177.755 176.094 -0.067 0.000 1.245 625 V CA 0.441 62.706 62.300 -0.059 0.000 1.138 625 V CB -0.205 31.571 31.823 -0.077 0.000 0.841 625 V HN 0.035 nan 8.190 nan 0.000 0.451 626 I N -0.468 120.051 120.570 -0.086 0.000 3.136 626 I HA 0.222 4.395 4.170 0.005 0.000 0.262 626 I C 0.820 176.867 176.117 -0.116 0.000 1.132 626 I CA 0.022 61.260 61.300 -0.104 0.000 1.450 626 I CB -0.036 37.871 38.000 -0.155 0.000 1.315 626 I HN 0.210 nan 8.210 nan 0.000 0.460 627 D N 1.272 121.598 120.400 -0.123 0.000 2.346 627 D HA -0.023 4.620 4.640 0.005 0.000 0.236 627 D C 0.932 177.156 176.300 -0.127 0.000 1.259 627 D CA 0.521 54.448 54.000 -0.121 0.000 0.898 627 D CB 1.218 41.952 40.800 -0.110 0.000 1.178 627 D HN 0.131 nan 8.370 nan 0.000 0.457 628 I N 0.365 120.851 120.570 -0.140 0.000 3.645 628 I HA -0.107 4.066 4.170 0.005 0.000 0.300 628 I C 1.886 177.899 176.117 -0.174 0.000 1.260 628 I CA 0.273 61.474 61.300 -0.165 0.000 1.365 628 I CB 0.182 38.090 38.000 -0.155 0.000 1.077 628 I HN 0.166 nan 8.210 nan 0.000 0.439 629 K N 1.222 121.505 120.400 -0.195 0.000 2.074 629 K HA -0.224 4.099 4.320 0.005 0.000 0.209 629 K C 0.696 177.060 176.600 -0.393 0.000 1.048 629 K CA 1.983 58.088 56.287 -0.303 0.000 0.926 629 K CB -0.381 31.901 32.500 -0.364 0.000 0.713 629 K HN 0.518 nan 8.250 nan 0.000 0.444 630 H N -1.611 117.408 119.070 -0.084 0.000 2.502 630 H HA 0.323 4.883 4.556 0.005 0.000 0.268 630 H C 0.035 175.304 175.328 -0.098 0.000 1.177 630 H CA -0.065 55.937 56.048 -0.077 0.000 0.961 630 H CB 0.669 30.396 29.762 -0.057 0.000 1.737 630 H HN 0.429 nan 8.280 nan 0.000 0.569 631 G N 0.796 109.559 108.800 -0.062 0.000 2.246 631 G HA2 -0.259 3.704 3.960 0.005 0.000 0.273 631 G HA3 -0.259 3.704 3.960 0.005 0.000 0.273 631 G C 0.697 175.494 174.900 -0.171 0.000 1.055 631 G CA 0.084 45.096 45.100 -0.145 0.000 0.851 631 G HN 0.694 nan 8.290 nan 0.000 0.500 632 G N -0.599 108.106 108.800 -0.157 0.000 2.621 632 G HA2 0.587 4.550 3.960 0.005 0.000 0.271 632 G HA3 0.587 4.550 3.960 0.005 0.000 0.271 632 G C 1.523 176.328 174.900 -0.158 0.000 1.236 632 G CA -0.278 44.749 45.100 -0.122 0.000 0.958 632 G HN 1.059 nan 8.290 nan 0.000 0.512 633 I N -2.453 118.085 120.570 -0.053 0.000 2.264 633 I HA -0.115 4.058 4.170 0.005 0.000 0.248 633 I C 2.014 178.119 176.117 -0.021 0.000 1.111 633 I CA 1.981 63.301 61.300 0.034 0.000 1.382 633 I CB -0.380 37.655 38.000 0.059 0.000 1.060 633 I HN 0.646 nan 8.210 nan 0.000 0.418 634 E N 1.827 121.982 120.200 -0.075 0.000 2.147 634 E HA -0.310 4.043 4.350 0.005 0.000 0.199 634 E C 2.225 178.751 176.600 -0.124 0.000 1.005 634 E CA 1.703 58.054 56.400 -0.083 0.000 0.810 634 E CB -0.116 29.524 29.700 -0.100 0.000 0.736 634 E HN 0.522 nan 8.360 nan 0.000 0.460 635 K N -0.336 119.914 120.400 -0.251 0.000 2.211 635 K HA -0.188 4.135 4.320 0.005 0.000 0.204 635 K C 0.985 177.399 176.600 -0.311 0.000 1.047 635 K CA 1.270 57.334 56.287 -0.372 0.000 0.935 635 K CB -0.031 32.080 32.500 -0.648 0.000 0.728 635 K HN 0.219 nan 8.250 nan 0.000 0.452 636 Y N -0.728 119.555 120.300 -0.028 0.000 2.457 636 Y HA 0.219 4.772 4.550 0.005 0.000 0.263 636 Y C 1.474 177.363 175.900 -0.018 0.000 1.164 636 Y CA 0.199 58.286 58.100 -0.022 0.000 1.274 636 Y CB 0.808 39.254 38.460 -0.023 0.000 1.097 636 Y HN 0.329 nan 8.280 nan 0.000 0.523 637 G N -0.677 108.176 108.800 0.089 0.000 2.213 637 G HA2 -0.275 3.688 3.960 0.005 0.000 0.236 637 G HA3 -0.275 3.688 3.960 0.005 0.000 0.236 637 G C 0.082 175.008 174.900 0.045 0.000 0.991 637 G CA 0.026 45.158 45.100 0.053 0.000 0.629 637 G HN 0.059 nan 8.290 nan 0.000 0.517 638 V N 1.742 121.692 119.914 0.061 0.000 2.644 638 V HA 0.223 4.346 4.120 0.005 0.000 0.305 638 V C 0.966 177.077 176.094 0.027 0.000 1.053 638 V CA 1.024 63.353 62.300 0.049 0.000 1.186 638 V CB 1.353 33.213 31.823 0.060 0.000 0.895 638 V HN 0.506 nan 8.190 nan 0.000 0.490 639 E N 4.923 125.144 120.200 0.036 0.000 2.105 639 E HA 0.368 4.721 4.350 0.005 0.000 0.285 639 E C -1.049 175.575 176.600 0.039 0.000 1.055 639 E CA -0.540 55.872 56.400 0.020 0.000 0.843 639 E CB 1.058 30.789 29.700 0.051 0.000 1.067 639 E HN 0.532 nan 8.360 nan 0.000 0.398 640 V N 5.514 125.417 119.914 -0.018 0.000 2.394 640 V HA 0.175 4.298 4.120 0.005 0.000 0.282 640 V C -0.032 176.037 176.094 -0.041 0.000 1.031 640 V CA -0.715 61.598 62.300 0.022 0.000 0.881 640 V CB 1.335 33.162 31.823 0.007 0.000 0.982 640 V HN 0.711 nan 8.190 nan 0.000 0.451 641 H N 4.426 123.549 119.070 0.089 0.000 2.680 641 H HA 0.229 4.788 4.556 0.005 0.000 0.260 641 H C -0.937 174.486 175.328 0.159 0.000 1.328 641 H CA -0.356 55.752 56.048 0.100 0.000 1.269 641 H CB 0.654 30.456 29.762 0.067 0.000 1.446 641 H HN 0.663 nan 8.280 nan 0.000 0.527 642 Y N 3.143 123.484 120.300 0.068 0.000 2.377 642 Y HA -0.007 4.546 4.550 0.005 0.000 0.330 642 Y C 0.611 176.547 175.900 0.061 0.000 1.108 642 Y CA -0.209 57.925 58.100 0.055 0.000 1.308 642 Y CB 0.608 39.083 38.460 0.024 0.000 1.216 642 Y HN 0.482 nan 8.280 nan 0.000 0.518 643 L N 4.233 125.290 121.223 -0.277 0.000 2.425 643 L HA 0.394 4.738 4.340 0.005 0.000 0.215 643 L C 1.139 177.707 176.870 -0.503 0.000 1.065 643 L CA 0.571 55.243 54.840 -0.280 0.000 0.842 643 L CB -0.379 41.616 42.059 -0.106 0.000 1.033 643 L HN 0.907 nan 8.230 nan 0.000 0.474 644 G N 0.449 108.678 108.800 -0.951 0.000 2.373 644 G HA2 -0.102 3.861 3.960 0.005 0.000 0.634 644 G HA3 -0.102 3.861 3.960 0.005 0.000 0.634 644 G C -0.426 174.313 174.900 -0.269 0.000 1.267 644 G CA -0.374 44.325 45.100 -0.668 0.000 1.008 644 G HN 0.094 nan 8.290 nan 0.000 0.497 645 T N -2.507 111.979 114.554 -0.113 0.000 2.875 645 T HA 0.657 5.010 4.350 0.005 0.000 0.284 645 T C 0.811 175.490 174.700 -0.035 0.000 0.995 645 T CA 0.848 62.932 62.100 -0.026 0.000 1.060 645 T CB 1.488 70.361 68.868 0.007 0.000 0.967 645 T HN 2.273 nan 8.240 nan 0.000 0.476 646 S N -0.112 115.579 115.700 -0.015 0.000 3.695 646 S HA -0.118 4.355 4.470 0.005 0.000 0.310 646 S C 0.236 174.827 174.600 -0.015 0.000 1.166 646 S CA 0.265 58.457 58.200 -0.014 0.000 0.882 646 S CB -2.001 61.185 63.200 -0.023 0.000 0.949 646 S HN 0.909 nan 8.310 nan 0.000 0.540 647 V N 2.683 122.589 119.914 -0.014 0.000 2.439 647 V HA 0.209 4.332 4.120 0.005 0.000 0.271 647 V C -1.633 174.465 176.094 0.006 0.000 1.040 647 V CA -1.336 60.956 62.300 -0.012 0.000 1.002 647 V CB 0.372 32.185 31.823 -0.017 0.000 1.000 647 V HN 0.113 nan 8.190 nan 0.000 0.477 648 P HA 0.037 nan 4.420 nan 0.000 0.266 648 P C 1.128 178.440 177.300 0.020 0.000 1.195 648 P CA -0.021 63.086 63.100 0.012 0.000 0.768 648 P CB 0.552 32.257 31.700 0.007 0.000 0.838 649 V N 1.957 121.887 119.914 0.027 0.000 2.527 649 V HA -0.273 3.850 4.120 0.005 0.000 0.255 649 V C 2.189 178.300 176.094 0.028 0.000 1.081 649 V CA 2.386 64.706 62.300 0.034 0.000 1.092 649 V CB -1.225 30.620 31.823 0.036 0.000 0.673 649 V HN 0.630 nan 8.190 nan 0.000 0.470 650 E N 1.179 121.390 120.200 0.019 0.000 2.016 650 E HA -0.214 4.139 4.350 0.005 0.000 0.190 650 E C 2.304 178.912 176.600 0.013 0.000 0.985 650 E CA 1.634 58.042 56.400 0.014 0.000 0.802 650 E CB -0.387 29.318 29.700 0.009 0.000 0.762 650 E HN 0.493 nan 8.360 nan 0.000 0.448 651 K N -0.067 120.339 120.400 0.010 0.000 2.209 651 K HA -0.137 4.186 4.320 0.005 0.000 0.204 651 K C 2.132 178.738 176.600 0.010 0.000 1.048 651 K CA 1.081 57.372 56.287 0.006 0.000 0.940 651 K CB -0.197 32.303 32.500 -0.000 0.000 0.729 651 K HN 0.256 nan 8.250 nan 0.000 0.451 652 L N 0.777 122.012 121.223 0.020 0.000 2.131 652 L HA -0.102 4.241 4.340 0.005 0.000 0.210 652 L C 1.503 178.393 176.870 0.033 0.000 1.092 652 L CA 1.375 56.234 54.840 0.031 0.000 0.759 652 L CB 0.033 42.120 42.059 0.046 0.000 0.903 652 L HN -0.068 nan 8.230 nan 0.000 0.435 653 V N -0.756 119.175 119.914 0.028 0.000 3.649 653 V HA 0.000 4.123 4.120 0.005 0.000 0.275 653 V C 1.404 177.506 176.094 0.012 0.000 1.281 653 V CA 0.686 63.001 62.300 0.024 0.000 1.143 653 V CB -0.538 31.300 31.823 0.025 0.000 0.892 653 V HN 0.356 nan 8.190 nan 0.000 0.441 654 D N 1.011 121.415 120.400 0.007 0.000 2.333 654 D HA 0.133 4.777 4.640 0.005 0.000 0.208 654 D C 1.952 178.247 176.300 -0.008 0.000 0.984 654 D CA 1.158 55.157 54.000 -0.001 0.000 0.873 654 D CB 0.618 41.418 40.800 -0.001 0.000 0.935 654 D HN 0.468 nan 8.370 nan 0.000 0.521 655 A N 0.132 122.947 122.820 -0.007 0.000 2.252 655 A HA 0.430 4.753 4.320 0.005 0.000 0.213 655 A C 2.058 179.623 177.584 -0.032 0.000 1.188 655 A CA 0.756 52.778 52.037 -0.025 0.000 0.863 655 A CB 0.178 19.168 19.000 -0.017 0.000 0.893 655 A HN 0.121 nan 8.150 nan 0.000 0.495 656 A N 1.085 123.902 122.820 -0.005 0.000 1.898 656 A HA -0.022 4.302 4.320 0.005 0.000 0.216 656 A C 2.057 179.636 177.584 -0.008 0.000 1.181 656 A CA 1.519 53.558 52.037 0.003 0.000 0.620 656 A CB -0.680 18.336 19.000 0.026 0.000 0.819 656 A HN 0.713 nan 8.150 nan 0.000 0.442 657 I N -1.796 118.769 120.570 -0.008 0.000 2.185 657 I HA 0.063 4.236 4.170 0.005 0.000 0.235 657 I C 2.591 178.694 176.117 -0.024 0.000 1.069 657 I CA 1.485 62.779 61.300 -0.011 0.000 1.354 657 I CB -1.468 36.528 38.000 -0.006 0.000 1.093 657 I HN 0.321 nan 8.210 nan 0.000 0.411 658 E N 2.686 122.870 120.200 -0.028 0.000 2.086 658 E HA -0.209 4.144 4.350 0.005 0.000 0.205 658 E C 1.996 178.561 176.600 -0.058 0.000 1.027 658 E CA 2.417 58.796 56.400 -0.036 0.000 0.830 658 E CB -1.494 28.186 29.700 -0.033 0.000 0.751 658 E HN 0.676 nan 8.360 nan 0.000 0.456 659 L N 0.096 121.262 121.223 -0.095 0.000 2.672 659 L HA 0.118 4.461 4.340 0.005 0.000 0.236 659 L C 0.210 177.013 176.870 -0.111 0.000 1.186 659 L CA -0.035 54.710 54.840 -0.157 0.000 0.977 659 L CB 0.041 41.888 42.059 -0.353 0.000 1.203 659 L HN 0.139 nan 8.230 nan 0.000 0.448 660 K N -0.329 120.035 120.400 -0.059 0.000 3.003 660 K HA -0.210 4.113 4.320 0.005 0.000 0.257 660 K C 0.429 177.015 176.600 -0.023 0.000 0.958 660 K CA 0.812 57.080 56.287 -0.031 0.000 0.707 660 K CB -1.705 30.783 32.500 -0.020 0.000 1.279 660 K HN 0.412 nan 8.250 nan 0.000 0.479 661 A N 0.834 123.637 122.820 -0.028 0.000 2.440 661 A HA 0.119 4.442 4.320 0.005 0.000 0.251 661 A C 1.276 178.871 177.584 0.018 0.000 1.089 661 A CA -0.165 51.869 52.037 -0.006 0.000 0.779 661 A CB 0.344 19.341 19.000 -0.005 0.000 1.022 661 A HN 0.207 nan 8.150 nan 0.000 0.492 662 D N 0.748 121.164 120.400 0.026 0.000 2.264 662 D HA 0.150 4.793 4.640 0.005 0.000 0.208 662 D C 0.743 177.063 176.300 0.034 0.000 0.966 662 D CA 1.923 55.937 54.000 0.023 0.000 0.864 662 D CB 0.231 41.039 40.800 0.014 0.000 0.933 662 D HN 0.742 nan 8.370 nan 0.000 0.499 663 A N -0.387 122.467 122.820 0.056 0.000 2.599 663 A HA 0.640 4.963 4.320 0.005 0.000 0.290 663 A C -1.417 176.233 177.584 0.111 0.000 1.101 663 A CA -0.630 51.461 52.037 0.089 0.000 0.674 663 A CB 1.224 20.279 19.000 0.092 0.000 1.277 663 A HN -0.005 nan 8.150 nan 0.000 0.419 664 I N 0.901 121.556 120.570 0.141 0.000 2.465 664 I HA 0.442 4.616 4.170 0.005 0.000 0.291 664 I C -1.070 175.151 176.117 0.174 0.000 1.014 664 I CA -0.433 60.951 61.300 0.141 0.000 1.093 664 I CB 1.714 39.787 38.000 0.121 0.000 1.267 664 I HN 0.441 nan 8.210 nan 0.000 0.431 665 L N 5.675 126.997 121.223 0.164 0.000 2.333 665 L HA 0.791 5.134 4.340 0.005 0.000 0.280 665 L C -0.281 176.681 176.870 0.153 0.000 1.004 665 L CA -0.642 54.301 54.840 0.171 0.000 0.820 665 L CB 1.949 44.105 42.059 0.161 0.000 1.247 665 L HN 0.677 nan 8.230 nan 0.000 0.416 666 A N 2.210 125.118 122.820 0.147 0.000 2.357 666 A HA 0.597 4.920 4.320 0.005 0.000 0.295 666 A C -0.447 177.214 177.584 0.127 0.000 1.121 666 A CA -0.385 51.731 52.037 0.131 0.000 0.742 666 A CB 1.857 20.928 19.000 0.117 0.000 1.181 666 A HN 0.580 nan 8.150 nan 0.000 0.454 667 S N 0.892 116.667 115.700 0.124 0.000 2.617 667 S HA 0.701 5.174 4.470 0.005 0.000 0.269 667 S C 0.088 174.748 174.600 0.100 0.000 1.292 667 S CA 0.172 58.439 58.200 0.112 0.000 1.010 667 S CB 0.901 64.173 63.200 0.120 0.000 0.944 667 S HN 0.992 nan 8.310 nan 0.000 0.536 668 T N 4.420 119.024 114.554 0.084 0.000 3.446 668 T HA 0.285 4.638 4.350 0.005 0.000 0.274 668 T C 0.330 175.042 174.700 0.019 0.000 0.834 668 T CA -0.514 61.629 62.100 0.071 0.000 1.479 668 T CB -0.409 68.510 68.868 0.084 0.000 0.880 668 T HN 0.461 nan 8.240 nan 0.000 0.567 669 I N 1.537 122.137 120.570 0.049 0.000 2.594 669 I HA 0.325 4.498 4.170 0.005 0.000 0.237 669 I C 1.414 177.509 176.117 -0.038 0.000 1.071 669 I CA 0.274 61.568 61.300 -0.010 0.000 1.427 669 I CB -0.687 37.337 38.000 0.040 0.000 1.218 669 I HN 0.521 nan 8.210 nan 0.000 0.444 670 I N 2.686 123.327 120.570 0.119 0.000 2.906 670 I HA -0.172 4.001 4.170 0.005 0.000 0.301 670 I C 0.465 176.582 176.117 0.000 0.000 1.221 670 I CA 0.806 62.162 61.300 0.093 0.000 1.435 670 I CB 0.130 38.213 38.000 0.138 0.000 1.345 670 I HN 0.377 nan 8.210 nan 0.000 0.558 671 S N 3.480 119.150 115.700 -0.050 0.000 2.828 671 S HA 0.179 4.652 4.470 0.005 0.000 0.240 671 S C -0.452 174.164 174.600 0.026 0.000 0.912 671 S CA -0.823 57.283 58.200 -0.157 0.000 1.100 671 S CB -0.248 62.438 63.200 -0.857 0.000 1.271 671 S HN 0.671 nan 8.310 nan 0.000 0.476 672 H N 2.099 121.185 119.070 0.026 0.000 2.562 672 H HA 0.396 4.955 4.556 0.005 0.000 0.314 672 H C 0.160 175.531 175.328 0.073 0.000 1.079 672 H CA 0.734 56.807 56.048 0.042 0.000 1.349 672 H CB 0.387 30.166 29.762 0.028 0.000 1.432 672 H HN 0.374 nan 8.280 nan 0.000 0.479 673 D N 3.873 124.192 120.400 -0.135 0.000 2.870 673 D HA -0.213 4.430 4.640 0.005 0.000 0.228 673 D C -0.603 175.725 176.300 0.046 0.000 1.147 673 D CA 1.081 55.062 54.000 -0.032 0.000 0.757 673 D CB -0.762 40.061 40.800 0.038 0.000 1.091 673 D HN 0.867 nan 8.370 nan 0.000 0.429 674 D N -0.941 119.524 120.400 0.109 0.000 2.708 674 D HA -0.234 4.409 4.640 0.005 0.000 0.236 674 D C 1.105 177.410 176.300 0.009 0.000 1.146 674 D CA 0.609 54.639 54.000 0.049 0.000 0.662 674 D CB -0.943 39.855 40.800 -0.003 0.000 1.059 674 D HN 0.479 nan 8.370 nan 0.000 0.428 675 I N 0.317 120.966 120.570 0.131 0.000 2.756 675 I HA -0.198 3.975 4.170 0.005 0.000 0.262 675 I C 2.185 178.349 176.117 0.077 0.000 1.225 675 I CA 1.534 62.889 61.300 0.091 0.000 1.472 675 I CB -0.144 37.920 38.000 0.107 0.000 1.094 675 I HN 0.390 nan 8.210 nan 0.000 0.454 676 H N -1.129 117.895 119.070 -0.077 0.000 2.333 676 H HA -0.132 4.427 4.556 0.005 0.000 0.302 676 H C 1.668 176.928 175.328 -0.114 0.000 1.075 676 H CA 1.721 57.681 56.048 -0.147 0.000 1.348 676 H CB -1.423 28.169 29.762 -0.284 0.000 1.393 676 H HN 0.334 nan 8.280 nan 0.000 0.509 677 Y N 1.613 121.619 120.300 -0.491 0.000 2.457 677 Y HA 0.075 4.628 4.550 0.005 0.000 0.292 677 Y C 2.592 178.414 175.900 -0.129 0.000 1.125 677 Y CA 0.306 58.231 58.100 -0.291 0.000 1.254 677 Y CB -0.023 38.221 38.460 -0.360 0.000 1.012 677 Y HN 0.171 nan 8.280 nan 0.000 0.555 678 K N -0.156 120.260 120.400 0.028 0.000 2.062 678 K HA -0.104 4.219 4.320 0.005 0.000 0.205 678 K C 1.373 178.004 176.600 0.052 0.000 1.051 678 K CA 1.122 57.433 56.287 0.041 0.000 0.941 678 K CB -0.110 32.408 32.500 0.031 0.000 0.719 678 K HN 0.187 nan 8.250 nan 0.000 0.440 679 N N 0.610 119.341 118.700 0.053 0.000 2.571 679 N HA -0.009 4.734 4.740 0.005 0.000 0.189 679 N C 1.386 176.941 175.510 0.076 0.000 1.154 679 N CA 0.760 53.847 53.050 0.061 0.000 0.907 679 N CB 0.134 38.658 38.487 0.062 0.000 0.977 679 N HN 0.260 nan 8.380 nan 0.000 0.449 680 M N 0.093 119.745 119.600 0.087 0.000 2.357 680 M HA -0.053 4.430 4.480 0.005 0.000 0.266 680 M C 1.851 178.217 176.300 0.109 0.000 1.095 680 M CA 1.050 56.410 55.300 0.101 0.000 1.156 680 M CB 0.028 32.699 32.600 0.118 0.000 1.365 680 M HN 0.052 nan 8.290 nan 0.000 0.447 681 K N -0.179 120.283 120.400 0.103 0.000 2.186 681 K HA 0.037 4.360 4.320 0.005 0.000 0.202 681 K C 1.936 178.606 176.600 0.117 0.000 1.052 681 K CA 0.538 56.907 56.287 0.137 0.000 0.965 681 K CB -0.277 32.285 32.500 0.103 0.000 0.746 681 K HN 0.082 nan 8.250 nan 0.000 0.457 682 R N 0.785 121.332 120.500 0.077 0.000 2.127 682 R HA -0.005 4.338 4.340 0.005 0.000 0.238 682 R C 1.954 178.284 176.300 0.050 0.000 1.134 682 R CA 1.491 57.622 56.100 0.051 0.000 0.975 682 R CB -0.242 30.085 30.300 0.044 0.000 0.865 682 R HN 0.317 nan 8.270 nan 0.000 0.447 683 I N -1.337 119.279 120.570 0.076 0.000 2.703 683 I HA -0.168 4.005 4.170 0.005 0.000 0.259 683 I C 2.179 178.355 176.117 0.098 0.000 1.151 683 I CA 0.637 61.983 61.300 0.077 0.000 1.470 683 I CB -0.163 37.890 38.000 0.089 0.000 1.112 683 I HN 0.214 nan 8.210 nan 0.000 0.437 684 H N 1.356 120.447 119.070 0.034 0.000 2.357 684 H HA -0.135 4.424 4.556 0.005 0.000 0.301 684 H C 1.972 177.314 175.328 0.023 0.000 1.082 684 H CA 1.929 57.995 56.048 0.030 0.000 1.342 684 H CB 0.090 29.866 29.762 0.024 0.000 1.389 684 H HN 0.262 nan 8.280 nan 0.000 0.511 685 E N 0.185 120.262 120.200 -0.203 0.000 2.028 685 E HA -0.094 4.259 4.350 0.005 0.000 0.191 685 E C 2.297 178.812 176.600 -0.142 0.000 0.988 685 E CA 0.980 57.238 56.400 -0.238 0.000 0.799 685 E CB -0.185 29.459 29.700 -0.094 0.000 0.755 685 E HN 0.387 nan 8.360 nan 0.000 0.447 686 L N 0.378 121.563 121.223 -0.063 0.000 2.447 686 L HA -0.216 4.127 4.340 0.005 0.000 0.225 686 L C 2.072 178.921 176.870 -0.035 0.000 1.148 686 L CA 0.566 55.386 54.840 -0.034 0.000 0.808 686 L CB -0.144 41.913 42.059 -0.005 0.000 0.928 686 L HN 0.189 nan 8.230 nan 0.000 0.448 687 A N -0.976 121.812 122.820 -0.054 0.000 1.861 687 A HA -0.072 4.251 4.320 0.005 0.000 0.212 687 A C 1.959 179.513 177.584 -0.051 0.000 1.199 687 A CA 1.278 53.298 52.037 -0.028 0.000 0.613 687 A CB -0.442 18.570 19.000 0.020 0.000 0.846 687 A HN 0.206 nan 8.150 nan 0.000 0.446 688 V N -0.009 119.833 119.914 -0.120 0.000 3.306 688 V HA -0.077 4.046 4.120 0.005 0.000 0.264 688 V C 2.110 178.162 176.094 -0.069 0.000 1.149 688 V CA 1.523 63.768 62.300 -0.092 0.000 1.143 688 V CB -0.673 31.070 31.823 -0.132 0.000 0.767 688 V HN 0.663 nan 8.190 nan 0.000 0.476 689 E N 0.700 120.856 120.200 -0.074 0.000 2.046 689 E HA -0.164 4.189 4.350 0.005 0.000 0.190 689 E C 1.985 178.568 176.600 -0.029 0.000 0.982 689 E CA 0.721 57.092 56.400 -0.048 0.000 0.800 689 E CB 0.064 29.735 29.700 -0.047 0.000 0.756 689 E HN 0.324 nan 8.360 nan 0.000 0.449 690 K N -0.140 120.245 120.400 -0.025 0.000 2.525 690 K HA -0.017 4.306 4.320 0.005 0.000 0.192 690 K C 0.392 176.986 176.600 -0.010 0.000 1.029 690 K CA 0.741 57.019 56.287 -0.014 0.000 1.029 690 K CB 0.250 32.745 32.500 -0.009 0.000 0.814 690 K HN 0.346 nan 8.250 nan 0.000 0.503 691 G N 2.438 111.230 108.800 -0.013 0.000 2.324 691 G HA2 -0.215 3.748 3.960 0.005 0.000 0.292 691 G HA3 -0.215 3.748 3.960 0.005 0.000 0.292 691 G C 0.381 175.281 174.900 0.000 0.000 1.079 691 G CA 0.527 45.623 45.100 -0.007 0.000 1.026 691 G HN 0.509 nan 8.290 nan 0.000 0.506 692 I N -3.952 116.620 120.570 0.004 0.000 4.453 692 I HA 0.456 4.629 4.170 0.005 0.000 0.342 692 I C 1.658 177.791 176.117 0.026 0.000 1.341 692 I CA -0.186 61.122 61.300 0.013 0.000 1.217 692 I CB 0.179 38.187 38.000 0.013 0.000 1.545 692 I HN 0.087 nan 8.210 nan 0.000 0.557 693 R N 3.190 123.707 120.500 0.028 0.000 2.061 693 R HA -0.143 4.200 4.340 0.005 0.000 0.230 693 R C 1.818 178.158 176.300 0.066 0.000 1.140 693 R CA 2.744 58.877 56.100 0.055 0.000 0.940 693 R CB -0.527 29.806 30.300 0.054 0.000 0.839 693 R HN 0.628 nan 8.270 nan 0.000 0.429 694 D N -0.427 120.005 120.400 0.053 0.000 2.363 694 D HA -0.098 4.545 4.640 0.005 0.000 0.226 694 D C 1.313 177.636 176.300 0.039 0.000 1.020 694 D CA 0.682 54.711 54.000 0.050 0.000 0.892 694 D CB 0.020 40.845 40.800 0.041 0.000 0.900 694 D HN 0.214 nan 8.370 nan 0.000 0.531 695 K N -0.089 120.332 120.400 0.035 0.000 2.067 695 K HA 0.228 4.551 4.320 0.005 0.000 0.203 695 K C 1.248 177.867 176.600 0.032 0.000 1.048 695 K CA 0.148 56.451 56.287 0.027 0.000 0.954 695 K CB 0.185 32.697 32.500 0.021 0.000 0.737 695 K HN 0.134 nan 8.250 nan 0.000 0.444 696 I N 0.136 120.732 120.570 0.043 0.000 3.468 696 I HA 0.164 4.337 4.170 0.005 0.000 0.276 696 I C -0.235 175.925 176.117 0.071 0.000 1.182 696 I CA -0.604 60.727 61.300 0.052 0.000 0.881 696 I CB 0.781 38.816 38.000 0.059 0.000 1.609 696 I HN 0.124 nan 8.210 nan 0.000 0.780 697 M N 2.873 122.527 119.600 0.090 0.000 2.572 697 M HA 0.508 4.992 4.480 0.005 0.000 0.299 697 M C -1.421 174.996 176.300 0.195 0.000 1.205 697 M CA -0.471 54.914 55.300 0.142 0.000 0.876 697 M CB 2.542 35.203 32.600 0.103 0.000 1.728 697 M HN 0.237 nan 8.290 nan 0.000 0.458 698 I N 0.733 121.454 120.570 0.251 0.000 2.533 698 I HA 0.762 4.936 4.170 0.005 0.000 0.290 698 I C -0.234 176.031 176.117 0.247 0.000 1.056 698 I CA -0.701 60.735 61.300 0.226 0.000 1.057 698 I CB 2.404 40.500 38.000 0.160 0.000 1.240 698 I HN 0.811 nan 8.210 nan 0.000 0.423 699 G N 4.329 113.271 108.800 0.237 0.000 2.687 699 G HA2 0.639 4.602 3.960 0.005 0.000 0.301 699 G HA3 0.639 4.602 3.960 0.005 0.000 0.301 699 G C -1.539 173.458 174.900 0.163 0.000 1.416 699 G CA -0.308 44.876 45.100 0.139 0.000 1.005 699 G HN 0.633 nan 8.290 nan 0.000 0.509 700 C N 0.591 119.957 119.300 0.110 0.000 2.563 700 C HA 1.040 5.503 4.460 0.005 0.000 0.314 700 C C 0.643 175.735 174.990 0.170 0.000 1.199 700 C CA -0.178 58.922 59.018 0.136 0.000 1.564 700 C CB 1.374 29.176 27.740 0.104 0.000 2.173 700 C HN 1.144 nan 8.230 nan 0.000 0.485 701 G N 0.391 109.295 108.800 0.174 0.000 2.692 701 G HA2 0.872 4.835 3.960 0.005 0.000 0.291 701 G HA3 0.872 4.835 3.960 0.005 0.000 0.291 701 G C -0.898 174.068 174.900 0.110 0.000 1.423 701 G CA 0.117 45.322 45.100 0.175 0.000 0.843 701 G HN 1.416 nan 8.290 nan 0.000 0.486 702 G N -1.668 107.180 108.800 0.080 0.000 2.316 702 G HA2 0.497 4.461 3.960 0.005 0.000 0.296 702 G HA3 0.497 4.461 3.960 0.005 0.000 0.296 702 G C 0.594 175.488 174.900 -0.009 0.000 1.399 702 G CA 0.672 45.786 45.100 0.024 0.000 0.833 702 G HN 1.031 nan 8.290 nan 0.000 0.565 703 T N 0.322 114.842 114.554 -0.058 0.000 2.849 703 T HA -0.076 4.277 4.350 0.005 0.000 0.270 703 T C 1.421 176.075 174.700 -0.076 0.000 1.066 703 T CA 1.729 63.788 62.100 -0.068 0.000 1.130 703 T CB -0.052 68.755 68.868 -0.101 0.000 0.864 703 T HN 0.405 nan 8.240 nan 0.000 0.481 704 Q N 0.770 120.487 119.800 -0.138 0.000 2.175 704 Q HA 0.320 4.663 4.340 0.005 0.000 0.225 704 Q C -0.250 175.740 176.000 -0.017 0.000 0.837 704 Q CA -0.051 55.664 55.803 -0.147 0.000 1.032 704 Q CB 0.333 28.840 28.738 -0.385 0.000 1.137 704 Q HN 0.357 nan 8.270 nan 0.000 0.483 705 V N 1.706 121.647 119.914 0.044 0.000 2.465 705 V HA 0.315 4.438 4.120 0.005 0.000 0.279 705 V C 0.374 176.569 176.094 0.168 0.000 1.045 705 V CA -0.119 62.285 62.300 0.173 0.000 0.938 705 V CB 1.429 33.333 31.823 0.135 0.000 0.986 705 V HN 0.064 nan 8.190 nan 0.000 0.467 706 T N 7.443 122.138 114.554 0.236 0.000 2.771 706 T HA 0.310 4.663 4.350 0.005 0.000 0.281 706 T C -1.770 172.929 174.700 -0.003 0.000 0.982 706 T CA -1.164 60.986 62.100 0.084 0.000 0.978 706 T CB 1.936 70.843 68.868 0.065 0.000 0.930 706 T HN 0.428 nan 8.240 nan 0.000 0.447 707 P HA -0.180 nan 4.420 nan 0.000 0.217 707 P C 1.286 178.497 177.300 -0.150 0.000 1.162 707 P CA 1.272 64.271 63.100 -0.167 0.000 0.901 707 P CB 0.279 31.865 31.700 -0.191 0.000 0.793 708 E N -0.883 119.244 120.200 -0.122 0.000 2.085 708 E HA -0.144 4.209 4.350 0.005 0.000 0.194 708 E C 1.933 178.435 176.600 -0.162 0.000 0.994 708 E CA 1.331 57.654 56.400 -0.127 0.000 0.801 708 E CB -0.867 28.771 29.700 -0.104 0.000 0.743 708 E HN 0.048 nan 8.360 nan 0.000 0.453 709 V N 0.646 120.441 119.914 -0.197 0.000 2.515 709 V HA -0.204 3.919 4.120 0.005 0.000 0.250 709 V C 2.137 178.013 176.094 -0.363 0.000 1.058 709 V CA 1.676 63.750 62.300 -0.377 0.000 1.064 709 V CB -0.690 30.730 31.823 -0.672 0.000 0.675 709 V HN 0.341 nan 8.190 nan 0.000 0.461 710 A N -0.557 122.162 122.820 -0.168 0.000 1.970 710 A HA -0.043 4.280 4.320 0.005 0.000 0.216 710 A C 2.179 179.688 177.584 -0.125 0.000 1.170 710 A CA 1.144 53.138 52.037 -0.072 0.000 0.645 710 A CB -0.448 18.560 19.000 0.015 0.000 0.816 710 A HN 0.315 nan 8.150 nan 0.000 0.447 711 V N -0.001 119.822 119.914 -0.153 0.000 3.444 711 V HA -0.088 4.035 4.120 0.005 0.000 0.271 711 V C 1.799 177.803 176.094 -0.149 0.000 1.188 711 V CA 1.626 63.835 62.300 -0.151 0.000 1.168 711 V CB -0.715 31.019 31.823 -0.148 0.000 0.810 711 V HN 0.519 nan 8.190 nan 0.000 0.500 712 K N -1.199 119.103 120.400 -0.164 0.000 2.360 712 K HA 0.115 4.438 4.320 0.005 0.000 0.196 712 K C 1.758 178.268 176.600 -0.151 0.000 1.049 712 K CA -0.064 56.128 56.287 -0.158 0.000 1.049 712 K CB 0.343 32.739 32.500 -0.174 0.000 0.881 712 K HN 0.333 nan 8.250 nan 0.000 0.542 713 Q N -0.396 119.316 119.800 -0.147 0.000 2.389 713 Q HA 0.050 4.393 4.340 0.005 0.000 0.204 713 Q C 1.060 176.967 176.000 -0.155 0.000 0.944 713 Q CA 1.077 56.822 55.803 -0.097 0.000 0.908 713 Q CB 0.946 29.665 28.738 -0.032 0.000 1.002 713 Q HN 0.492 nan 8.270 nan 0.000 0.493 714 G N 0.631 109.246 108.800 -0.308 0.000 2.175 714 G HA2 -0.209 3.754 3.960 0.005 0.000 0.182 714 G HA3 -0.209 3.754 3.960 0.005 0.000 0.182 714 G C 0.214 174.773 174.900 -0.569 0.000 1.003 714 G CA 0.144 44.777 45.100 -0.778 0.000 0.666 714 G HN 0.308 nan 8.290 nan 0.000 0.506 715 V N -2.349 117.432 119.914 -0.222 0.000 3.109 715 V HA 0.806 4.929 4.120 0.005 0.000 0.317 715 V C 1.094 177.141 176.094 -0.078 0.000 1.074 715 V CA 0.273 62.524 62.300 -0.081 0.000 1.033 715 V CB 1.570 33.386 31.823 -0.012 0.000 1.111 715 V HN -0.060 nan 8.190 nan 0.000 0.458 716 D N 1.402 121.797 120.400 -0.008 0.000 2.162 716 D HA 0.345 4.988 4.640 0.005 0.000 0.203 716 D C 0.719 176.944 176.300 -0.125 0.000 0.967 716 D CA 1.912 55.926 54.000 0.023 0.000 0.840 716 D CB 0.279 41.223 40.800 0.240 0.000 0.972 716 D HN 1.003 nan 8.370 nan 0.000 0.482 717 A N -0.777 121.848 122.820 -0.326 0.000 2.588 717 A HA 0.710 5.033 4.320 0.005 0.000 0.290 717 A C -0.670 176.566 177.584 -0.580 0.000 1.136 717 A CA -0.179 51.513 52.037 -0.575 0.000 0.681 717 A CB 1.763 20.164 19.000 -0.998 0.000 1.282 717 A HN 0.121 nan 8.150 nan 0.000 0.421 718 G N -0.804 107.544 108.800 -0.753 0.000 2.706 718 G HA2 0.675 4.638 3.960 0.005 0.000 0.297 718 G HA3 0.675 4.638 3.960 0.005 0.000 0.297 718 G C -1.672 172.762 174.900 -0.778 0.000 1.403 718 G CA -0.429 44.350 45.100 -0.534 0.000 0.954 718 G HN 0.536 nan 8.290 nan 0.000 0.500 719 F N 0.756 120.678 119.950 -0.047 0.000 2.529 719 F HA 0.706 5.236 4.527 0.005 0.000 0.320 719 F C 0.826 176.626 175.800 0.001 0.000 1.118 719 F CA -0.391 57.592 58.000 -0.028 0.000 0.915 719 F CB 2.589 41.587 39.000 -0.004 0.000 1.161 719 F HN 0.740 nan 8.300 nan 0.000 0.445 720 G N 1.881 110.767 108.800 0.144 0.000 3.099 720 G HA2 0.468 4.431 3.960 0.005 0.000 0.151 720 G HA3 0.468 4.431 3.960 0.005 0.000 0.151 720 G C -0.315 174.633 174.900 0.081 0.000 1.265 720 G CA -1.025 44.128 45.100 0.088 0.000 0.981 720 G HN 0.469 nan 8.290 nan 0.000 0.601 721 R N -0.509 120.018 120.500 0.044 0.000 2.811 721 R HA 0.318 4.662 4.340 0.005 0.000 0.265 721 R C 1.271 177.600 176.300 0.048 0.000 1.026 721 R CA 0.991 57.111 56.100 0.032 0.000 1.142 721 R CB -0.066 30.241 30.300 0.012 0.000 1.027 721 R HN 1.117 nan 8.270 nan 0.000 0.465 722 G N 1.197 110.021 108.800 0.040 0.000 2.233 722 G HA2 -0.316 3.647 3.960 0.005 0.000 0.270 722 G HA3 -0.316 3.647 3.960 0.005 0.000 0.270 722 G C 0.017 174.990 174.900 0.122 0.000 1.011 722 G CA 0.610 45.743 45.100 0.056 0.000 0.762 722 G HN 0.511 nan 8.290 nan 0.000 0.511 723 S N 0.183 115.964 115.700 0.135 0.000 2.576 723 S HA 0.548 5.021 4.470 0.005 0.000 0.276 723 S C 0.583 175.277 174.600 0.156 0.000 1.339 723 S CA -0.099 58.241 58.200 0.235 0.000 1.039 723 S CB 1.076 64.383 63.200 0.179 0.000 0.902 723 S HN 0.396 nan 8.310 nan 0.000 0.516 724 K N 0.829 121.313 120.400 0.141 0.000 2.352 724 K HA 0.419 4.742 4.320 0.005 0.000 0.240 724 K C 1.233 177.723 176.600 -0.183 0.000 1.017 724 K CA -0.729 55.481 56.287 -0.130 0.000 0.851 724 K CB 1.028 33.352 32.500 -0.293 0.000 1.261 724 K HN 0.682 nan 8.250 nan 0.000 0.451 725 G N 0.444 109.174 108.800 -0.116 0.000 2.598 725 G HA2 -0.141 3.822 3.960 0.005 0.000 0.215 725 G HA3 -0.141 3.822 3.960 0.005 0.000 0.215 725 G C 1.207 176.124 174.900 0.029 0.000 1.131 725 G CA 0.260 45.325 45.100 -0.058 0.000 0.785 725 G HN 0.447 nan 8.290 nan 0.000 0.539 726 I N 0.425 120.961 120.570 -0.056 0.000 2.286 726 I HA -0.010 4.163 4.170 0.005 0.000 0.245 726 I C 2.451 178.516 176.117 -0.086 0.000 1.104 726 I CA 1.204 62.485 61.300 -0.032 0.000 1.397 726 I CB -0.326 37.603 38.000 -0.118 0.000 1.072 726 I HN 0.339 nan 8.210 nan 0.000 0.417 727 H N -1.094 117.989 119.070 0.021 0.000 2.276 727 H HA -0.094 4.466 4.556 0.005 0.000 0.301 727 H C 2.265 177.615 175.328 0.036 0.000 1.073 727 H CA 1.719 57.799 56.048 0.053 0.000 1.311 727 H CB -0.618 29.187 29.762 0.071 0.000 1.379 727 H HN 0.148 nan 8.280 nan 0.000 0.494 728 V N 1.329 121.143 119.914 -0.165 0.000 2.317 728 V HA -0.358 3.765 4.120 0.005 0.000 0.251 728 V C 2.639 178.851 176.094 0.197 0.000 1.065 728 V CA 1.854 64.119 62.300 -0.058 0.000 1.049 728 V CB -1.089 30.616 31.823 -0.197 0.000 0.651 728 V HN 0.609 nan 8.190 nan 0.000 0.450 729 A N -0.582 122.294 122.820 0.094 0.000 1.841 729 A HA -0.230 4.093 4.320 0.005 0.000 0.214 729 A C 2.409 180.000 177.584 0.011 0.000 1.195 729 A CA 2.534 54.598 52.037 0.046 0.000 0.611 729 A CB -1.225 17.787 19.000 0.021 0.000 0.835 729 A HN 0.457 nan 8.150 nan 0.000 0.443 730 T N -0.333 114.244 114.554 0.037 0.000 2.653 730 T HA -0.218 4.135 4.350 0.005 0.000 0.268 730 T C 1.590 176.368 174.700 0.130 0.000 1.035 730 T CA 2.015 64.151 62.100 0.061 0.000 1.154 730 T CB -0.508 68.424 68.868 0.107 0.000 0.862 730 T HN 0.586 nan 8.240 nan 0.000 0.441 731 F N 1.334 121.364 119.950 0.135 0.000 2.202 731 F HA -0.014 4.516 4.527 0.005 0.000 0.301 731 F C 1.779 177.649 175.800 0.115 0.000 1.082 731 F CA 1.097 59.197 58.000 0.168 0.000 1.313 731 F CB -0.546 38.659 39.000 0.341 0.000 1.024 731 F HN 0.113 nan 8.300 nan 0.000 0.495 732 L N 0.217 121.146 121.223 -0.491 0.000 2.095 732 L HA -0.102 4.241 4.340 0.005 0.000 0.204 732 L C 2.639 179.333 176.870 -0.294 0.000 1.080 732 L CA 1.104 55.593 54.840 -0.585 0.000 0.759 732 L CB -0.707 41.180 42.059 -0.286 0.000 0.914 732 L HN 0.263 nan 8.230 nan 0.000 0.439 733 V N -3.147 116.671 119.914 -0.161 0.000 2.548 733 V HA -0.164 3.959 4.120 0.005 0.000 0.249 733 V C 2.249 178.292 176.094 -0.085 0.000 1.055 733 V CA 1.220 63.458 62.300 -0.103 0.000 1.065 733 V CB -0.627 31.148 31.823 -0.081 0.000 0.681 733 V HN 0.351 nan 8.190 nan 0.000 0.462 734 K N 0.901 121.257 120.400 -0.075 0.000 2.021 734 K HA -0.077 4.246 4.320 0.005 0.000 0.205 734 K C 2.296 178.867 176.600 -0.048 0.000 1.047 734 K CA 1.566 57.834 56.287 -0.032 0.000 0.943 734 K CB -0.287 32.230 32.500 0.029 0.000 0.725 734 K HN 0.382 nan 8.250 nan 0.000 0.439 735 K N 2.094 122.430 120.400 -0.107 0.000 2.057 735 K HA -0.168 4.155 4.320 0.005 0.000 0.207 735 K C 1.984 178.537 176.600 -0.079 0.000 1.049 735 K CA 1.471 57.708 56.287 -0.083 0.000 0.931 735 K CB -0.193 32.202 32.500 -0.175 0.000 0.714 735 K HN 0.066 nan 8.250 nan 0.000 0.440 736 R N 0.330 120.758 120.500 -0.120 0.000 2.200 736 R HA -0.110 4.233 4.340 0.005 0.000 0.234 736 R C 1.694 177.970 176.300 -0.040 0.000 1.127 736 R CA 1.457 57.513 56.100 -0.074 0.000 0.989 736 R CB -0.189 30.064 30.300 -0.080 0.000 0.869 736 R HN 0.183 nan 8.270 nan 0.000 0.459 737 R N 0.187 120.665 120.500 -0.038 0.000 2.100 737 R HA -0.010 4.333 4.340 0.005 0.000 0.220 737 R C 2.485 178.780 176.300 -0.008 0.000 1.091 737 R CA 1.192 57.280 56.100 -0.020 0.000 0.986 737 R CB -0.310 29.979 30.300 -0.019 0.000 0.888 737 R HN 0.454 nan 8.270 nan 0.000 0.444 738 E N 0.955 121.154 120.200 -0.003 0.000 2.455 738 E HA -0.160 4.193 4.350 0.005 0.000 0.202 738 E C 1.579 178.185 176.600 0.009 0.000 1.045 738 E CA 1.507 57.913 56.400 0.009 0.000 0.872 738 E CB -0.591 29.123 29.700 0.023 0.000 0.792 738 E HN 0.411 nan 8.360 nan 0.000 0.542 739 M N -1.503 118.099 119.600 0.003 0.000 2.638 739 M HA 0.280 4.763 4.480 0.005 0.000 0.256 739 M C 1.989 178.290 176.300 0.002 0.000 1.282 739 M CA 0.598 55.901 55.300 0.006 0.000 1.155 739 M CB 0.735 33.338 32.600 0.006 0.000 1.345 739 M HN 0.316 nan 8.290 nan 0.000 0.523 740 R N 0.000 120.499 120.500 -0.002 0.000 2.786 740 R HA 0.000 4.343 4.340 0.005 0.000 0.208 740 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 740 R CB 0.000 30.296 30.300 -0.006 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535