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 3dri_1_A DATA FIRST_RESID 14 DATA SEQUENCE LKAGNFDVAY QNPDKAIKGG NLKVAYQSDS PMKAQWLSGL SNDATFATMS DATA SEQUENCE GPGGGQDGLF FTDSGFKFIK GGAADVALDK ESKTATITLR KDLKWSDGSE DATA SEQUENCE VTAKDYEFTY ETIANPAYGS DRWTDSLANI VGLSDYHTGK AKTISGITFP DATA SEQUENCE DGENGKVIKV QFKEMKPGMT QSGNGYFLET VAPYQYLKDV APKDLASSPK DATA SEQUENCE TTTKPLVTGP FKPENVVAGE SIKYVPNPYY WGEKPKLNSI TYEVVSTAKS DATA SEQUENCE VAALSSSKYD IINGMVSSQY KQVKNLKGYK VLGQQAMYIS LMYYNLGHYD DATA SEQUENCE AKNSINVQDR KTPLQDQNVR QAIGYARNVA EVDNKFSNGL STPANSLIPP DATA SEQUENCE IFKQFTSSSV KGYEKQDLDK ANKLLDEDGW KLNKSTGYRE KDGKELSLVY DATA SEQUENCE AARVGDANAE TIAQNYIQQW KKIGVKVSLY NGKLMEFNSW VDHMTTPPGA DATA SEQUENCE NDWDITDGSW SLASEPSQQD LFSAAAPYNF GHFNDSEITK DLNDIDSAKS DATA SEQUENCE ENPTYRKAAF VKYQEDMNKK AYVIPTNFML NYTPVNKRVV GMTLDYGAMN DATA SEQUENCE TWSEIGVSS 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.871 176.870 0.001 0.000 1.165 14 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 14 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 15 K N 1.896 122.302 120.400 0.010 0.000 2.340 15 K HA 0.901 4.635 4.320 -0.976 0.000 0.244 15 K C -0.884 175.742 176.600 0.042 0.000 0.973 15 K CA -0.776 55.533 56.287 0.036 0.000 0.828 15 K CB 2.700 35.220 32.500 0.034 0.000 1.226 15 K HN 0.613 nan 8.250 nan 0.000 0.437 16 A N 1.002 123.875 122.820 0.088 0.000 2.466 16 A HA 0.614 4.348 4.320 -0.976 0.000 0.291 16 A C 0.520 178.215 177.584 0.184 0.000 1.234 16 A CA 0.151 52.246 52.037 0.097 0.000 0.752 16 A CB 0.434 19.466 19.000 0.052 0.000 1.153 16 A HN 0.804 nan 8.150 nan 0.000 0.458 17 G N 2.619 111.499 108.800 0.132 0.000 2.611 17 G HA2 -0.349 3.025 3.960 -0.976 0.000 0.301 17 G HA3 -0.349 3.025 3.960 -0.976 0.000 0.301 17 G C 0.618 175.558 174.900 0.067 0.000 1.233 17 G CA 0.601 45.774 45.100 0.122 0.000 0.993 17 G HN 0.800 nan 8.290 nan 0.000 0.553 18 N N 0.646 119.333 118.700 -0.022 0.000 2.398 18 N HA 0.190 4.344 4.740 -0.976 0.000 0.188 18 N C 0.410 175.803 175.510 -0.194 0.000 1.122 18 N CA 0.416 53.381 53.050 -0.143 0.000 0.866 18 N CB -0.078 38.264 38.487 -0.241 0.000 0.970 18 N HN 0.325 nan 8.380 nan 0.000 0.462 19 F N 1.190 121.133 119.950 -0.012 0.000 2.375 19 F HA 0.198 4.143 4.527 -0.972 0.000 0.333 19 F C 0.953 176.752 175.800 -0.002 0.000 1.104 19 F CA -0.719 57.279 58.000 -0.004 0.000 1.149 19 F CB 0.739 39.731 39.000 -0.013 0.000 1.190 19 F HN -0.214 nan 8.300 nan 0.000 0.533 20 D N 1.272 121.797 120.400 0.208 0.000 2.302 20 D HA 0.150 4.204 4.640 -0.976 0.000 0.248 20 D C 0.926 177.292 176.300 0.110 0.000 1.094 20 D CA -0.072 54.002 54.000 0.125 0.000 0.897 20 D CB 1.973 42.836 40.800 0.103 0.000 1.200 20 D HN 0.221 nan 8.370 nan 0.000 0.429 21 V N 0.864 120.803 119.914 0.043 0.000 2.719 21 V HA 0.022 3.557 4.120 -0.976 0.000 0.252 21 V C 0.848 176.929 176.094 -0.022 0.000 1.065 21 V CA 1.210 63.499 62.300 -0.020 0.000 1.086 21 V CB -0.181 31.604 31.823 -0.064 0.000 0.700 21 V HN 0.641 nan 8.190 nan 0.000 0.467 22 A N -1.306 121.522 122.820 0.012 0.000 2.374 22 A HA 0.649 4.383 4.320 -0.976 0.000 0.317 22 A C -1.342 176.308 177.584 0.110 0.000 1.094 22 A CA -0.453 51.597 52.037 0.022 0.000 0.765 22 A CB 1.000 19.988 19.000 -0.021 0.000 1.268 22 A HN 0.204 nan 8.150 nan 0.000 0.438 23 Y N 2.320 122.604 120.300 -0.028 0.000 2.518 23 Y HA 0.321 4.283 4.550 -0.979 0.000 0.344 23 Y C -0.035 175.851 175.900 -0.024 0.000 0.982 23 Y CA -0.985 57.107 58.100 -0.014 0.000 1.234 23 Y CB 0.557 39.011 38.460 -0.009 0.000 1.114 23 Y HN 0.644 nan 8.280 nan 0.000 0.515 24 Q N 5.144 124.877 119.800 -0.113 0.000 2.452 24 Q HA 0.077 3.831 4.340 -0.976 0.000 0.230 24 Q C -0.274 175.454 176.000 -0.454 0.000 1.180 24 Q CA -0.262 55.397 55.803 -0.240 0.000 0.914 24 Q CB 0.160 28.845 28.738 -0.088 0.000 1.408 24 Q HN 0.533 nan 8.270 nan 0.000 0.520 25 N N 4.092 122.333 118.700 -0.765 0.000 2.475 25 N HA 0.044 4.199 4.740 -0.976 0.000 0.267 25 N C -1.362 173.987 175.510 -0.268 0.000 1.169 25 N CA -1.425 51.211 53.050 -0.689 0.000 0.947 25 N CB 1.067 39.170 38.487 -0.640 0.000 1.061 25 N HN 0.336 nan 8.380 nan 0.000 0.466 26 P HA 0.047 nan 4.420 nan 0.000 0.229 26 P C -0.667 176.595 177.300 -0.063 0.000 1.160 26 P CA 0.683 63.739 63.100 -0.073 0.000 0.777 26 P CB 0.422 32.106 31.700 -0.027 0.000 0.814 27 D N 0.887 121.246 120.400 -0.068 0.000 2.175 27 D HA 0.180 4.234 4.640 -0.976 0.000 0.248 27 D C 0.546 176.811 176.300 -0.058 0.000 1.047 27 D CA -0.311 53.661 54.000 -0.048 0.000 0.883 27 D CB 1.419 42.202 40.800 -0.028 0.000 1.180 27 D HN -0.083 nan 8.370 nan 0.000 0.438 28 K N 0.487 120.862 120.400 -0.041 0.000 2.202 28 K HA 0.450 4.184 4.320 -0.976 0.000 0.264 28 K C -0.025 176.556 176.600 -0.031 0.000 1.010 28 K CA -0.503 55.761 56.287 -0.038 0.000 0.940 28 K CB 0.959 33.443 32.500 -0.027 0.000 0.983 28 K HN 0.462 nan 8.250 nan 0.000 0.475 29 A N 2.866 125.669 122.820 -0.029 0.000 2.407 29 A HA 0.286 4.021 4.320 -0.976 0.000 0.248 29 A C 0.687 178.267 177.584 -0.006 0.000 1.082 29 A CA -0.533 51.494 52.037 -0.016 0.000 0.785 29 A CB -0.253 18.739 19.000 -0.012 0.000 1.020 29 A HN 0.771 nan 8.150 nan 0.000 0.489 30 I N -1.042 119.528 120.570 0.001 0.000 3.211 30 I HA 0.391 3.975 4.170 -0.976 0.000 0.297 30 I C 0.058 176.181 176.117 0.011 0.000 1.095 30 I CA -0.794 60.509 61.300 0.005 0.000 1.239 30 I CB 0.570 38.575 38.000 0.008 0.000 1.455 30 I HN 0.511 nan 8.210 nan 0.000 0.630 31 K N 2.637 123.043 120.400 0.011 0.000 2.297 31 K HA 0.518 4.252 4.320 -0.976 0.000 0.286 31 K C 0.332 176.945 176.600 0.023 0.000 1.053 31 K CA 0.469 56.764 56.287 0.015 0.000 0.940 31 K CB 0.871 33.376 32.500 0.009 0.000 1.019 31 K HN 1.013 nan 8.250 nan 0.000 0.475 32 G N 1.622 110.442 108.800 0.033 0.000 2.568 32 G HA2 0.151 3.525 3.960 -0.976 0.000 0.222 32 G HA3 0.151 3.525 3.960 -0.976 0.000 0.222 32 G C 0.054 174.987 174.900 0.055 0.000 1.321 32 G CA -0.525 44.602 45.100 0.046 0.000 0.893 32 G HN 1.191 nan 8.290 nan 0.000 0.569 33 G N -1.113 107.721 108.800 0.056 0.000 2.555 33 G HA2 0.385 3.760 3.960 -0.976 0.000 0.686 33 G HA3 0.385 3.760 3.960 -0.976 0.000 0.686 33 G C -0.691 174.250 174.900 0.069 0.000 1.275 33 G CA 0.628 45.760 45.100 0.054 0.000 0.871 33 G HN 2.036 nan 8.290 nan 0.000 0.603 34 N N -0.274 118.460 118.700 0.057 0.000 2.354 34 N HA 0.535 4.689 4.740 -0.976 0.000 0.287 34 N C -1.021 174.517 175.510 0.046 0.000 1.016 34 N CA -0.697 52.388 53.050 0.057 0.000 0.871 34 N CB 1.816 40.334 38.487 0.052 0.000 1.299 34 N HN 0.635 nan 8.380 nan 0.000 0.482 35 L N 3.143 124.387 121.223 0.035 0.000 2.307 35 L HA 0.445 4.200 4.340 -0.976 0.000 0.282 35 L C -0.497 176.389 176.870 0.028 0.000 1.051 35 L CA -0.190 54.670 54.840 0.032 0.000 0.804 35 L CB 0.753 42.831 42.059 0.031 0.000 1.197 35 L HN 0.421 nan 8.230 nan 0.000 0.431 36 K N 4.858 125.295 120.400 0.061 0.000 2.367 36 K HA 0.594 4.328 4.320 -0.976 0.000 0.263 36 K C -1.362 175.307 176.600 0.115 0.000 1.000 36 K CA -0.615 55.744 56.287 0.120 0.000 0.891 36 K CB 1.680 34.283 32.500 0.172 0.000 1.117 36 K HN 0.357 nan 8.250 nan 0.000 0.443 37 V N 1.530 121.411 119.914 -0.056 0.000 2.715 37 V HA 0.779 4.313 4.120 -0.976 0.000 0.310 37 V C -0.368 175.487 176.094 -0.399 0.000 1.054 37 V CA -0.956 61.157 62.300 -0.311 0.000 0.928 37 V CB 1.693 33.069 31.823 -0.745 0.000 1.007 37 V HN 0.876 nan 8.190 nan 0.000 0.437 38 A N 2.827 125.381 122.820 -0.443 0.000 2.469 38 A HA 0.850 4.584 4.320 -0.976 0.000 0.299 38 A C -1.886 175.711 177.584 0.022 0.000 1.098 38 A CA -0.604 51.195 52.037 -0.397 0.000 0.737 38 A CB 1.619 19.892 19.000 -1.212 0.000 1.312 38 A HN 0.840 nan 8.150 nan 0.000 0.414 39 Y N 0.626 120.952 120.300 0.044 0.000 2.341 39 Y HA 0.471 4.464 4.550 -0.928 0.000 0.338 39 Y C 0.345 176.219 175.900 -0.043 0.000 0.965 39 Y CA -0.231 57.893 58.100 0.040 0.000 1.108 39 Y CB 1.662 40.149 38.460 0.046 0.000 1.180 39 Y HN 0.767 nan 8.280 nan 0.000 0.458 40 Q N 4.392 123.969 119.800 -0.372 0.000 2.296 40 Q HA 0.385 4.139 4.340 -0.976 0.000 0.263 40 Q C -1.176 174.805 176.000 -0.031 0.000 1.026 40 Q CA 0.126 55.814 55.803 -0.191 0.000 0.912 40 Q CB 0.547 29.134 28.738 -0.252 0.000 1.198 40 Q HN 0.639 nan 8.270 nan 0.000 0.407 41 S N 3.143 118.888 115.700 0.075 0.000 2.543 41 S HA 0.221 4.106 4.470 -0.976 0.000 0.271 41 S C -0.861 173.772 174.600 0.054 0.000 1.148 41 S CA -0.760 57.503 58.200 0.105 0.000 0.914 41 S CB 1.302 64.605 63.200 0.171 0.000 1.096 41 S HN 0.749 nan 8.310 nan 0.000 0.471 42 D N 1.993 122.414 120.400 0.035 0.000 2.328 42 D HA 0.248 4.302 4.640 -0.976 0.000 0.221 42 D C -0.137 176.177 176.300 0.023 0.000 1.072 42 D CA 0.363 54.377 54.000 0.024 0.000 0.850 42 D CB 0.697 41.504 40.800 0.011 0.000 0.922 42 D HN 0.279 nan 8.370 nan 0.000 0.516 43 S N 0.746 116.463 115.700 0.029 0.000 2.566 43 S HA 0.508 4.392 4.470 -0.976 0.000 0.298 43 S C -2.490 172.124 174.600 0.022 0.000 1.083 43 S CA -1.192 57.021 58.200 0.021 0.000 0.978 43 S CB 2.453 65.662 63.200 0.015 0.000 1.073 43 S HN -0.124 nan 8.310 nan 0.000 0.491 44 P HA 0.153 nan 4.420 nan 0.000 0.272 44 P C -0.167 177.129 177.300 -0.006 0.000 1.223 44 P CA -0.404 62.701 63.100 0.008 0.000 0.784 44 P CB 0.241 31.941 31.700 0.000 0.000 0.923 45 M N 0.893 120.489 119.600 -0.007 0.000 2.245 45 M HA 0.288 4.183 4.480 -0.976 0.000 0.330 45 M C -0.129 176.131 176.300 -0.067 0.000 1.098 45 M CA 0.312 55.598 55.300 -0.023 0.000 1.172 45 M CB 0.440 33.046 32.600 0.010 0.000 1.467 45 M HN -0.067 nan 8.290 nan 0.000 0.454 46 K N 3.191 123.523 120.400 -0.113 0.000 2.449 46 K HA 0.583 4.318 4.320 -0.976 0.000 0.257 46 K C -1.350 174.932 176.600 -0.530 0.000 0.989 46 K CA -0.231 55.926 56.287 -0.218 0.000 0.916 46 K CB 1.183 33.594 32.500 -0.148 0.000 1.136 46 K HN 0.787 nan 8.250 nan 0.000 0.439 47 A N 3.862 126.260 122.820 -0.705 0.000 2.491 47 A HA 0.389 4.123 4.320 -0.976 0.000 0.261 47 A C -0.578 176.373 177.584 -1.055 0.000 1.101 47 A CA 0.136 51.308 52.037 -1.441 0.000 0.772 47 A CB 0.099 18.654 19.000 -0.742 0.000 1.043 47 A HN 0.605 nan 8.150 nan 0.000 0.501 48 Q N 2.571 121.551 119.800 -1.367 0.000 2.444 48 Q HA 0.336 4.090 4.340 -0.976 0.000 0.239 48 Q C -1.068 174.772 176.000 -0.267 0.000 0.853 48 Q CA -0.310 55.194 55.803 -0.499 0.000 0.856 48 Q CB 0.243 28.832 28.738 -0.248 0.000 1.413 48 Q HN 0.711 nan 8.270 nan 0.000 0.437 49 W N 3.220 124.564 121.300 0.074 0.000 2.905 49 W HA 0.281 4.449 4.660 -0.821 0.000 0.251 49 W C 0.146 176.781 176.519 0.193 0.000 1.305 49 W CA -0.086 57.407 57.345 0.246 0.000 1.465 49 W CB 0.604 30.194 29.460 0.217 0.000 1.122 49 W HN 0.367 nan 8.180 nan 0.000 0.659 50 L N 1.077 122.463 121.223 0.270 0.000 2.278 50 L HA 0.135 3.889 4.340 -0.976 0.000 0.287 50 L C 1.847 178.785 176.870 0.113 0.000 1.072 50 L CA -0.254 54.692 54.840 0.176 0.000 0.819 50 L CB 1.280 43.391 42.059 0.088 0.000 1.176 50 L HN -0.170 nan 8.230 nan 0.000 0.435 51 S N 3.383 119.151 115.700 0.114 0.000 2.365 51 S HA -0.176 3.708 4.470 -0.976 0.000 0.225 51 S C 1.862 176.477 174.600 0.025 0.000 1.039 51 S CA 2.037 60.280 58.200 0.072 0.000 1.033 51 S CB -0.152 63.091 63.200 0.071 0.000 0.887 51 S HN 0.951 nan 8.310 nan 0.000 0.447 52 G N 0.609 109.403 108.800 -0.011 0.000 2.448 52 G HA2 -0.020 3.354 3.960 -0.976 0.000 0.219 52 G HA3 -0.020 3.354 3.960 -0.976 0.000 0.219 52 G C 1.250 176.146 174.900 -0.006 0.000 1.127 52 G CA 0.682 45.762 45.100 -0.034 0.000 0.766 52 G HN 0.555 nan 8.290 nan 0.000 0.552 53 L N 0.342 121.565 121.223 0.001 0.000 2.616 53 L HA 0.238 3.992 4.340 -0.976 0.000 0.229 53 L C 1.169 178.045 176.870 0.011 0.000 1.110 53 L CA -0.120 54.730 54.840 0.017 0.000 0.884 53 L CB 0.383 42.454 42.059 0.020 0.000 1.115 53 L HN 0.166 nan 8.230 nan 0.000 0.481 54 S N 0.360 116.067 115.700 0.012 0.000 2.475 54 S HA 0.252 4.137 4.470 -0.976 0.000 0.281 54 S C 0.503 175.109 174.600 0.010 0.000 1.198 54 S CA -0.435 57.766 58.200 0.002 0.000 1.063 54 S CB 0.583 63.803 63.200 0.034 0.000 0.972 54 S HN 0.322 nan 8.310 nan 0.000 0.486 55 N N 2.781 121.481 118.700 -0.001 0.000 2.171 55 N HA 0.135 4.289 4.740 -0.976 0.000 0.212 55 N C -1.222 174.289 175.510 0.002 0.000 1.184 55 N CA -0.198 52.857 53.050 0.009 0.000 0.888 55 N CB 0.542 39.037 38.487 0.014 0.000 1.038 55 N HN 0.550 nan 8.380 nan 0.000 0.517 56 D N 0.572 120.967 120.400 -0.008 0.000 2.373 56 D HA 0.354 4.408 4.640 -0.976 0.000 0.227 56 D C 0.830 177.108 176.300 -0.037 0.000 1.091 56 D CA -0.477 53.511 54.000 -0.019 0.000 0.840 56 D CB 1.175 41.958 40.800 -0.029 0.000 1.060 56 D HN 0.133 nan 8.370 nan 0.000 0.502 57 A N 3.054 125.843 122.820 -0.052 0.000 1.978 57 A HA -0.170 3.565 4.320 -0.976 0.000 0.220 57 A C 2.043 179.475 177.584 -0.253 0.000 1.170 57 A CA 1.803 53.783 52.037 -0.096 0.000 0.636 57 A CB -0.667 18.310 19.000 -0.038 0.000 0.810 57 A HN 0.635 nan 8.150 nan 0.000 0.448 58 T N -0.837 113.542 114.554 -0.290 0.000 2.622 58 T HA -0.169 3.595 4.350 -0.976 0.000 0.266 58 T C 1.630 175.998 174.700 -0.552 0.000 1.047 58 T CA 1.712 63.458 62.100 -0.590 0.000 1.159 58 T CB -0.429 68.263 68.868 -0.294 0.000 0.863 58 T HN 0.505 nan 8.240 nan 0.000 0.422 59 F N 2.111 121.814 119.950 -0.412 0.000 2.171 59 F HA 0.057 4.430 4.527 -0.257 0.000 0.300 59 F C 2.415 177.969 175.800 -0.411 0.000 1.090 59 F CA 0.708 58.455 58.000 -0.422 0.000 1.293 59 F CB -0.703 38.070 39.000 -0.377 0.000 1.013 59 F HN 0.142 nan 8.300 nan 0.000 0.486 60 A N -0.428 122.182 122.820 -0.350 0.000 1.917 60 A HA -0.239 3.495 4.320 -0.976 0.000 0.219 60 A C 2.232 179.574 177.584 -0.404 0.000 1.182 60 A CA 2.529 54.370 52.037 -0.327 0.000 0.633 60 A CB -1.472 17.445 19.000 -0.138 0.000 0.819 60 A HN 0.436 nan 8.150 nan 0.000 0.448 61 T N -0.100 114.201 114.554 -0.422 0.000 2.777 61 T HA -0.086 3.678 4.350 -0.976 0.000 0.266 61 T C 1.895 176.314 174.700 -0.468 0.000 1.040 61 T CA 1.668 63.578 62.100 -0.317 0.000 1.141 61 T CB -0.299 68.386 68.868 -0.305 0.000 0.868 61 T HN 0.453 nan 8.240 nan 0.000 0.444 62 M N 1.751 120.844 119.600 -0.846 0.000 2.358 62 M HA -0.067 3.827 4.480 -0.976 0.000 0.264 62 M C 2.392 178.197 176.300 -0.824 0.000 1.064 62 M CA 1.122 55.690 55.300 -1.221 0.000 1.093 62 M CB -0.496 31.455 32.600 -1.081 0.000 1.401 62 M HN 0.304 nan 8.290 nan 0.000 0.440 63 S N -0.072 115.083 115.700 -0.909 0.000 2.555 63 S HA 0.013 3.897 4.470 -0.976 0.000 0.230 63 S C 1.870 176.372 174.600 -0.163 0.000 0.978 63 S CA 0.582 58.441 58.200 -0.567 0.000 0.934 63 S CB -0.895 61.845 63.200 -0.767 0.000 0.766 63 S HN 0.533 nan 8.310 nan 0.000 0.533 64 G N 3.178 111.855 108.800 -0.204 0.000 2.529 64 G HA2 -0.191 3.183 3.960 -0.976 0.000 0.219 64 G HA3 -0.191 3.183 3.960 -0.976 0.000 0.219 64 G C -0.669 173.948 174.900 -0.471 0.000 1.177 64 G CA 1.120 46.180 45.100 -0.066 0.000 0.773 64 G HN 0.559 nan 8.290 nan 0.000 0.573 65 P HA 0.032 nan 4.420 nan 0.000 0.222 65 P C 1.765 178.677 177.300 -0.647 0.000 1.147 65 P CA 1.527 63.692 63.100 -1.559 0.000 0.790 65 P CB -0.313 30.017 31.700 -2.282 0.000 0.780 66 G N -1.614 107.017 108.800 -0.282 0.000 2.985 66 G HA2 0.285 3.659 3.960 -0.976 0.000 0.209 66 G HA3 0.285 3.659 3.960 -0.976 0.000 0.209 66 G C 1.013 176.034 174.900 0.201 0.000 1.165 66 G CA 0.409 45.627 45.100 0.197 0.000 0.776 66 G HN 0.393 nan 8.290 nan 0.000 0.541 67 G N -1.522 107.357 108.800 0.131 0.000 2.175 67 G HA2 0.267 3.642 3.960 -0.976 0.000 0.182 67 G HA3 0.267 3.642 3.960 -0.976 0.000 0.182 67 G C 0.935 175.967 174.900 0.221 0.000 1.003 67 G CA 0.561 45.783 45.100 0.204 0.000 0.666 67 G HN 1.770 nan 8.290 nan 0.000 0.506 68 G N -0.002 108.902 108.800 0.175 0.000 2.295 68 G HA2 0.019 3.394 3.960 -0.976 0.000 0.287 68 G HA3 0.019 3.394 3.960 -0.976 0.000 0.287 68 G C 0.520 175.511 174.900 0.152 0.000 1.055 68 G CA 1.066 46.243 45.100 0.129 0.000 0.922 68 G HN 1.905 nan 8.290 nan 0.000 0.503 69 Q N -1.114 118.820 119.800 0.224 0.000 2.487 69 Q HA -0.173 3.581 4.340 -0.976 0.000 0.279 69 Q C 0.413 176.577 176.000 0.273 0.000 1.228 69 Q CA 0.798 56.771 55.803 0.283 0.000 0.873 69 Q CB -1.132 27.721 28.738 0.191 0.000 1.260 69 Q HN 0.860 nan 8.270 nan 0.000 0.471 70 D N -2.490 118.079 120.400 0.281 0.000 2.699 70 D HA -0.142 3.913 4.640 -0.976 0.000 0.239 70 D C 0.517 176.916 176.300 0.166 0.000 1.136 70 D CA 1.476 55.618 54.000 0.236 0.000 0.668 70 D CB -1.411 39.569 40.800 0.299 0.000 1.060 70 D HN 0.625 nan 8.370 nan 0.000 0.429 71 G N -0.326 108.575 108.800 0.170 0.000 2.432 71 G HA2 0.326 3.701 3.960 -0.976 0.000 0.239 71 G HA3 0.326 3.701 3.960 -0.976 0.000 0.239 71 G C 1.312 176.238 174.900 0.044 0.000 1.291 71 G CA -0.448 44.730 45.100 0.130 0.000 0.863 71 G HN 0.301 nan 8.290 nan 0.000 0.560 72 L N 0.661 121.757 121.223 -0.211 0.000 2.408 72 L HA 0.300 4.054 4.340 -0.976 0.000 0.215 72 L C -0.065 176.564 176.870 -0.402 0.000 1.081 72 L CA 0.200 54.730 54.840 -0.515 0.000 0.840 72 L CB 0.017 41.399 42.059 -1.129 0.000 1.002 72 L HN 0.319 nan 8.230 nan 0.000 0.468 73 F N -0.904 119.186 119.950 0.233 0.000 2.495 73 F HA 0.449 4.393 4.527 -0.971 0.000 0.327 73 F C 0.125 176.249 175.800 0.539 0.000 1.103 73 F CA -1.319 56.839 58.000 0.263 0.000 0.949 73 F CB 0.932 40.074 39.000 0.236 0.000 1.142 73 F HN -0.303 nan 8.300 nan 0.000 0.457 74 F N 1.037 121.255 119.950 0.448 0.000 2.380 74 F HA 0.529 4.467 4.527 -0.982 0.000 0.325 74 F C 0.843 176.877 175.800 0.391 0.000 1.136 74 F CA -1.005 57.212 58.000 0.362 0.000 1.171 74 F CB 1.167 40.332 39.000 0.276 0.000 1.230 74 F HN 0.494 nan 8.300 nan 0.000 0.554 75 T N -1.799 113.018 114.554 0.439 0.000 2.864 75 T HA 0.540 4.304 4.350 -0.976 0.000 0.289 75 T C -0.725 174.048 174.700 0.122 0.000 1.082 75 T CA -0.980 61.282 62.100 0.271 0.000 1.009 75 T CB 2.117 71.103 68.868 0.197 0.000 1.234 75 T HN 0.418 nan 8.240 nan 0.000 0.526 76 D N -0.070 120.354 120.400 0.039 0.000 2.447 76 D HA 0.218 4.272 4.640 -0.976 0.000 0.265 76 D C 1.648 177.833 176.300 -0.191 0.000 1.250 76 D CA -0.026 53.943 54.000 -0.051 0.000 1.046 76 D CB 0.119 40.892 40.800 -0.046 0.000 1.095 76 D HN 0.604 nan 8.370 nan 0.000 0.555 77 S N -2.077 113.492 115.700 -0.218 0.000 2.507 77 S HA 0.021 3.905 4.470 -0.976 0.000 0.235 77 S C 1.688 175.910 174.600 -0.630 0.000 0.988 77 S CA 0.452 58.460 58.200 -0.320 0.000 0.944 77 S CB -0.770 62.315 63.200 -0.191 0.000 0.762 77 S HN 0.714 nan 8.310 nan 0.000 0.526 78 G N -0.624 107.845 108.800 -0.552 0.000 3.393 78 G HA2 0.457 3.831 3.960 -0.976 0.000 0.255 78 G HA3 0.457 3.831 3.960 -0.976 0.000 0.255 78 G C 0.138 174.793 174.900 -0.408 0.000 1.097 78 G CA -0.546 44.205 45.100 -0.581 0.000 0.780 78 G HN 0.417 nan 8.290 nan 0.000 0.540 79 F N -1.189 118.694 119.950 -0.111 0.000 2.840 79 F HA -0.169 3.771 4.527 -0.979 0.000 0.310 79 F C 0.961 176.664 175.800 -0.161 0.000 0.688 79 F CA 0.540 58.477 58.000 -0.106 0.000 1.286 79 F CB -1.726 37.218 39.000 -0.094 0.000 1.612 79 F HN 0.240 nan 8.300 nan 0.000 0.335 80 K N 1.335 121.717 120.400 -0.029 0.000 2.322 80 K HA 0.383 4.117 4.320 -0.976 0.000 0.283 80 K C 0.213 176.815 176.600 0.002 0.000 1.042 80 K CA -0.516 55.739 56.287 -0.054 0.000 0.958 80 K CB 0.387 32.881 32.500 -0.009 0.000 0.984 80 K HN -0.092 nan 8.250 nan 0.000 0.473 81 F N 4.952 124.990 119.950 0.146 0.000 2.607 81 F HA 0.058 3.996 4.527 -0.981 0.000 0.374 81 F C 0.842 176.710 175.800 0.114 0.000 1.104 81 F CA -0.026 58.056 58.000 0.136 0.000 1.296 81 F CB 0.026 39.061 39.000 0.058 0.000 1.085 81 F HN 0.361 nan 8.300 nan 0.000 0.584 82 I N -0.246 120.546 120.570 0.370 0.000 3.206 82 I HA 0.611 4.195 4.170 -0.976 0.000 0.313 82 I C -0.742 175.507 176.117 0.220 0.000 1.103 82 I CA -1.486 59.964 61.300 0.249 0.000 0.985 82 I CB 1.762 39.895 38.000 0.223 0.000 1.240 82 I HN 0.125 nan 8.210 nan 0.000 0.464 83 K N 1.301 121.785 120.400 0.139 0.000 2.126 83 K HA 0.553 4.287 4.320 -0.976 0.000 0.257 83 K C 0.620 177.259 176.600 0.066 0.000 1.007 83 K CA 0.127 56.453 56.287 0.066 0.000 0.928 83 K CB 0.880 33.395 32.500 0.025 0.000 1.013 83 K HN 1.129 nan 8.250 nan 0.000 0.473 84 G N -0.080 108.670 108.800 -0.082 0.000 2.211 84 G HA2 -0.180 3.195 3.960 -0.976 0.000 0.201 84 G HA3 -0.180 3.195 3.960 -0.976 0.000 0.201 84 G C 0.574 175.116 174.900 -0.597 0.000 0.997 84 G CA -0.052 44.954 45.100 -0.157 0.000 0.652 84 G HN 0.827 nan 8.290 nan 0.000 0.500 85 G N -0.113 108.126 108.800 -0.935 0.000 2.485 85 G HA2 0.610 3.985 3.960 -0.976 0.000 0.260 85 G HA3 0.610 3.985 3.960 -0.976 0.000 0.260 85 G C 1.567 175.849 174.900 -1.030 0.000 1.459 85 G CA 1.118 45.306 45.100 -1.520 0.000 1.060 85 G HN 1.232 nan 8.290 nan 0.000 0.546 86 A N -1.152 121.283 122.820 -0.642 0.000 1.978 86 A HA 0.419 4.153 4.320 -0.976 0.000 0.220 86 A C 1.424 178.638 177.584 -0.616 0.000 1.170 86 A CA 2.320 53.929 52.037 -0.714 0.000 0.636 86 A CB -0.566 18.310 19.000 -0.207 0.000 0.810 86 A HN 1.734 nan 8.150 nan 0.000 0.448 87 A N -1.230 121.335 122.820 -0.426 0.000 2.569 87 A HA 0.634 4.368 4.320 -0.976 0.000 0.290 87 A C -1.813 175.763 177.584 -0.013 0.000 1.136 87 A CA -0.713 51.175 52.037 -0.249 0.000 0.710 87 A CB 0.932 19.789 19.000 -0.238 0.000 1.303 87 A HN 0.103 nan 8.150 nan 0.000 0.413 88 D N -0.155 120.250 120.400 0.009 0.000 2.269 88 D HA 0.533 4.587 4.640 -0.976 0.000 0.244 88 D C -1.119 175.138 176.300 -0.072 0.000 0.992 88 D CA -0.136 53.864 54.000 -0.001 0.000 0.894 88 D CB 2.134 42.889 40.800 -0.076 0.000 1.248 88 D HN 0.398 nan 8.370 nan 0.000 0.468 89 V N 0.179 119.885 119.914 -0.346 0.000 2.604 89 V HA 0.810 4.344 4.120 -0.976 0.000 0.305 89 V C -1.349 174.561 176.094 -0.307 0.000 1.043 89 V CA -0.456 61.553 62.300 -0.486 0.000 0.888 89 V CB 1.515 32.721 31.823 -1.029 0.000 0.995 89 V HN 0.709 nan 8.190 nan 0.000 0.429 90 A N 6.789 129.471 122.820 -0.230 0.000 2.371 90 A HA 0.875 4.609 4.320 -0.976 0.000 0.311 90 A C -1.342 176.171 177.584 -0.119 0.000 1.068 90 A CA -0.688 51.270 52.037 -0.131 0.000 0.744 90 A CB 1.485 20.430 19.000 -0.091 0.000 1.239 90 A HN 0.871 nan 8.150 nan 0.000 0.435 91 L N 1.520 122.707 121.223 -0.061 0.000 2.307 91 L HA 0.482 4.236 4.340 -0.976 0.000 0.284 91 L C -0.826 176.036 176.870 -0.013 0.000 1.023 91 L CA -0.604 54.220 54.840 -0.028 0.000 0.810 91 L CB 1.848 43.910 42.059 0.005 0.000 1.231 91 L HN 0.805 nan 8.230 nan 0.000 0.423 92 D N 1.894 122.293 120.400 -0.002 0.000 2.453 92 D HA 0.139 4.193 4.640 -0.976 0.000 0.238 92 D C 0.761 177.066 176.300 0.009 0.000 1.088 92 D CA -0.507 53.491 54.000 -0.003 0.000 0.854 92 D CB 1.415 42.207 40.800 -0.012 0.000 1.076 92 D HN 0.458 nan 8.370 nan 0.000 0.533 93 K N 2.948 123.349 120.400 0.001 0.000 2.063 93 K HA -0.182 3.552 4.320 -0.976 0.000 0.208 93 K C 1.107 177.706 176.600 -0.001 0.000 1.048 93 K CA 1.266 57.551 56.287 -0.004 0.000 0.928 93 K CB 0.192 32.683 32.500 -0.015 0.000 0.713 93 K HN 0.395 nan 8.250 nan 0.000 0.442 94 E N 0.432 120.629 120.200 -0.005 0.000 2.110 94 E HA -0.129 3.635 4.350 -0.976 0.000 0.193 94 E C 1.880 178.477 176.600 -0.005 0.000 0.988 94 E CA 1.653 58.049 56.400 -0.008 0.000 0.804 94 E CB -0.009 29.685 29.700 -0.010 0.000 0.745 94 E HN 0.521 nan 8.360 nan 0.000 0.458 95 S N -0.321 115.378 115.700 -0.002 0.000 2.540 95 S HA 0.153 4.037 4.470 -0.976 0.000 0.218 95 S C 0.389 174.996 174.600 0.011 0.000 0.977 95 S CA -0.358 57.839 58.200 -0.005 0.000 0.918 95 S CB 0.069 63.258 63.200 -0.018 0.000 0.806 95 S HN 0.092 nan 8.310 nan 0.000 0.496 96 K N 1.043 121.467 120.400 0.040 0.000 3.148 96 K HA -0.121 3.614 4.320 -0.976 0.000 0.267 96 K C -0.924 175.778 176.600 0.169 0.000 0.996 96 K CA 0.885 57.238 56.287 0.111 0.000 0.737 96 K CB -2.423 30.135 32.500 0.097 0.000 1.308 96 K HN 0.518 nan 8.250 nan 0.000 0.470 97 T N -0.004 114.622 114.554 0.119 0.000 2.893 97 T HA 0.598 4.363 4.350 -0.976 0.000 0.293 97 T C -0.637 174.108 174.700 0.075 0.000 1.027 97 T CA -0.477 61.639 62.100 0.027 0.000 0.988 97 T CB 1.877 70.706 68.868 -0.065 0.000 1.043 97 T HN 0.317 nan 8.240 nan 0.000 0.461 98 A N 2.236 125.076 122.820 0.034 0.000 2.276 98 A HA 0.685 4.419 4.320 -0.976 0.000 0.316 98 A C 0.140 177.620 177.584 -0.175 0.000 1.229 98 A CA -0.592 51.387 52.037 -0.097 0.000 0.851 98 A CB 0.340 19.202 19.000 -0.231 0.000 1.165 98 A HN 0.711 nan 8.150 nan 0.000 0.513 99 T N 3.304 117.755 114.554 -0.171 0.000 2.756 99 T HA 0.479 4.243 4.350 -0.976 0.000 0.290 99 T C -0.416 174.181 174.700 -0.172 0.000 0.985 99 T CA 0.082 62.095 62.100 -0.145 0.000 0.955 99 T CB 0.182 68.987 68.868 -0.105 0.000 0.930 99 T HN 0.373 nan 8.240 nan 0.000 0.451 100 I N 3.448 123.924 120.570 -0.157 0.000 2.312 100 I HA 0.285 3.869 4.170 -0.976 0.000 0.290 100 I C 0.542 176.584 176.117 -0.125 0.000 1.008 100 I CA -0.111 61.092 61.300 -0.162 0.000 1.226 100 I CB 1.381 39.197 38.000 -0.307 0.000 1.371 100 I HN 0.515 nan 8.210 nan 0.000 0.468 101 T N 7.361 121.853 114.554 -0.103 0.000 2.788 101 T HA 0.542 4.306 4.350 -0.976 0.000 0.296 101 T C 0.083 174.701 174.700 -0.138 0.000 1.009 101 T CA -0.549 61.488 62.100 -0.105 0.000 0.949 101 T CB 0.290 69.100 68.868 -0.097 0.000 0.946 101 T HN 0.227 nan 8.240 nan 0.000 0.453 102 L N 2.985 124.118 121.223 -0.149 0.000 2.417 102 L HA 0.409 4.163 4.340 -0.976 0.000 0.268 102 L C 1.226 177.965 176.870 -0.219 0.000 1.158 102 L CA -0.783 53.937 54.840 -0.200 0.000 0.819 102 L CB 0.442 42.402 42.059 -0.164 0.000 1.112 102 L HN 0.390 nan 8.230 nan 0.000 0.458 103 R N 1.497 121.806 120.500 -0.318 0.000 2.640 103 R HA -0.056 3.699 4.340 -0.976 0.000 0.270 103 R C 1.215 177.387 176.300 -0.213 0.000 1.024 103 R CA 0.029 55.932 56.100 -0.327 0.000 1.085 103 R CB 0.517 30.492 30.300 -0.542 0.000 0.963 103 R HN 0.528 nan 8.270 nan 0.000 0.426 104 K N 1.612 121.918 120.400 -0.156 0.000 2.074 104 K HA -0.201 3.533 4.320 -0.976 0.000 0.209 104 K C 0.594 177.147 176.600 -0.078 0.000 1.048 104 K CA 2.249 58.478 56.287 -0.097 0.000 0.926 104 K CB 0.090 32.548 32.500 -0.071 0.000 0.713 104 K HN 0.641 nan 8.250 nan 0.000 0.444 105 D N 0.320 120.673 120.400 -0.077 0.000 2.388 105 D HA -0.008 4.046 4.640 -0.976 0.000 0.221 105 D C -0.077 176.219 176.300 -0.006 0.000 1.133 105 D CA -0.369 53.620 54.000 -0.018 0.000 0.831 105 D CB -0.201 40.617 40.800 0.029 0.000 0.962 105 D HN 0.055 nan 8.370 nan 0.000 0.502 106 L N 1.083 122.244 121.223 -0.103 0.000 2.433 106 L HA 0.255 4.009 4.340 -0.976 0.000 0.275 106 L C -0.262 176.537 176.870 -0.120 0.000 1.128 106 L CA 0.460 55.228 54.840 -0.119 0.000 0.875 106 L CB -0.048 41.856 42.059 -0.258 0.000 1.171 106 L HN -0.092 nan 8.230 nan 0.000 0.463 107 K N 3.712 124.067 120.400 -0.074 0.000 2.443 107 K HA 0.390 4.124 4.320 -0.976 0.000 0.251 107 K C -1.162 175.336 176.600 -0.170 0.000 0.972 107 K CA -0.722 55.503 56.287 -0.103 0.000 0.833 107 K CB 1.335 33.841 32.500 0.009 0.000 1.317 107 K HN 0.416 nan 8.250 nan 0.000 0.441 108 W N 0.466 121.764 121.300 -0.003 0.000 2.086 108 W HA 0.006 4.071 4.660 -0.992 0.000 0.355 108 W C 1.621 178.119 176.519 -0.034 0.000 1.313 108 W CA -0.135 57.199 57.345 -0.019 0.000 1.358 108 W CB 0.419 29.828 29.460 -0.085 0.000 1.166 108 W HN 0.695 nan 8.180 nan 0.000 0.630 109 S N -0.437 115.428 115.700 0.274 0.000 2.555 109 S HA -0.197 3.688 4.470 -0.976 0.000 0.230 109 S C 0.892 175.584 174.600 0.152 0.000 0.978 109 S CA 1.186 59.515 58.200 0.216 0.000 0.934 109 S CB -0.445 62.838 63.200 0.137 0.000 0.766 109 S HN 0.622 nan 8.310 nan 0.000 0.533 110 D N 0.100 120.492 120.400 -0.013 0.000 2.349 110 D HA 0.252 4.307 4.640 -0.976 0.000 0.214 110 D C 1.355 177.418 176.300 -0.394 0.000 1.063 110 D CA 0.507 54.441 54.000 -0.109 0.000 0.847 110 D CB -0.388 40.330 40.800 -0.136 0.000 0.933 110 D HN 0.487 nan 8.370 nan 0.000 0.513 111 G N 0.455 108.772 108.800 -0.804 0.000 2.195 111 G HA2 -0.282 3.092 3.960 -0.976 0.000 0.246 111 G HA3 -0.282 3.092 3.960 -0.976 0.000 0.246 111 G C 0.414 175.057 174.900 -0.429 0.000 0.984 111 G CA 0.332 44.671 45.100 -1.268 0.000 0.633 111 G HN 0.782 nan 8.290 nan 0.000 0.525 112 S N 0.449 116.051 115.700 -0.163 0.000 2.592 112 S HA 0.594 4.478 4.470 -0.976 0.000 0.271 112 S C 0.132 174.801 174.600 0.115 0.000 1.326 112 S CA -0.510 57.696 58.200 0.011 0.000 1.024 112 S CB 1.836 65.077 63.200 0.069 0.000 0.921 112 S HN 0.286 nan 8.310 nan 0.000 0.527 113 E N 0.962 121.223 120.200 0.102 0.000 2.373 113 E HA 0.235 3.999 4.350 -0.976 0.000 0.267 113 E C -0.489 176.194 176.600 0.138 0.000 1.032 113 E CA -0.314 56.127 56.400 0.068 0.000 0.889 113 E CB 1.227 30.948 29.700 0.036 0.000 0.984 113 E HN 0.500 nan 8.360 nan 0.000 0.425 114 V N 3.575 123.451 119.914 -0.063 0.000 2.461 114 V HA 0.212 3.746 4.120 -0.976 0.000 0.275 114 V C 0.722 176.822 176.094 0.010 0.000 1.047 114 V CA -0.145 62.105 62.300 -0.085 0.000 0.955 114 V CB 0.891 32.466 31.823 -0.413 0.000 0.988 114 V HN 0.798 nan 8.190 nan 0.000 0.471 115 T N 1.689 116.308 114.554 0.108 0.000 2.888 115 T HA 0.682 4.446 4.350 -0.976 0.000 0.288 115 T C 1.156 175.888 174.700 0.055 0.000 1.063 115 T CA -0.064 62.062 62.100 0.044 0.000 1.010 115 T CB 1.946 70.826 68.868 0.019 0.000 1.214 115 T HN 0.608 nan 8.240 nan 0.000 0.533 116 A N 0.760 123.566 122.820 -0.023 0.000 1.948 116 A HA -0.123 3.611 4.320 -0.976 0.000 0.220 116 A C 2.187 179.753 177.584 -0.030 0.000 1.177 116 A CA 2.466 54.510 52.037 0.012 0.000 0.636 116 A CB -1.083 17.865 19.000 -0.088 0.000 0.815 116 A HN 0.858 nan 8.150 nan 0.000 0.449 117 K N 0.389 120.633 120.400 -0.260 0.000 2.097 117 K HA -0.145 3.589 4.320 -0.976 0.000 0.206 117 K C 1.274 177.937 176.600 0.104 0.000 1.049 117 K CA 1.887 58.042 56.287 -0.219 0.000 0.933 117 K CB -0.410 31.905 32.500 -0.307 0.000 0.717 117 K HN 0.463 nan 8.250 nan 0.000 0.442 118 D N -0.817 119.729 120.400 0.243 0.000 2.178 118 D HA -0.178 3.876 4.640 -0.976 0.000 0.201 118 D C 1.657 178.243 176.300 0.477 0.000 0.980 118 D CA 0.981 55.251 54.000 0.450 0.000 0.842 118 D CB -0.234 40.922 40.800 0.592 0.000 0.948 118 D HN 0.275 nan 8.370 nan 0.000 0.472 119 Y N 1.800 122.273 120.300 0.288 0.000 2.184 119 Y HA -0.120 3.841 4.550 -0.980 0.000 0.290 119 Y C 2.223 178.371 175.900 0.413 0.000 1.129 119 Y CA 1.331 59.616 58.100 0.308 0.000 1.144 119 Y CB -0.095 38.522 38.460 0.263 0.000 0.995 119 Y HN -0.168 nan 8.280 nan 0.000 0.513 120 E N -0.278 120.121 120.200 0.331 0.000 2.118 120 E HA -0.261 3.504 4.350 -0.976 0.000 0.195 120 E C 2.116 178.877 176.600 0.270 0.000 0.992 120 E CA 1.350 57.904 56.400 0.258 0.000 0.804 120 E CB -0.609 29.320 29.700 0.380 0.000 0.741 120 E HN 0.497 nan 8.360 nan 0.000 0.458 121 F N 1.760 121.768 119.950 0.097 0.000 2.234 121 F HA -0.123 3.818 4.527 -0.976 0.000 0.299 121 F C 2.239 178.068 175.800 0.049 0.000 1.087 121 F CA 1.663 59.707 58.000 0.073 0.000 1.340 121 F CB -0.681 38.401 39.000 0.137 0.000 1.031 121 F HN -0.058 nan 8.300 nan 0.000 0.500 122 T N -0.153 114.389 114.554 -0.020 0.000 2.665 122 T HA -0.294 3.470 4.350 -0.976 0.000 0.268 122 T C 1.730 176.279 174.700 -0.251 0.000 1.035 122 T CA 2.246 64.222 62.100 -0.207 0.000 1.151 122 T CB -0.807 67.949 68.868 -0.187 0.000 0.862 122 T HN 0.352 nan 8.240 nan 0.000 0.438 123 Y N 1.555 121.760 120.300 -0.158 0.000 2.165 123 Y HA -0.118 3.850 4.550 -0.970 0.000 0.286 123 Y C 2.621 178.513 175.900 -0.013 0.000 1.155 123 Y CA 1.171 59.222 58.100 -0.081 0.000 1.164 123 Y CB -0.310 38.088 38.460 -0.104 0.000 0.978 123 Y HN 0.349 nan 8.280 nan 0.000 0.513 124 E N -0.602 119.654 120.200 0.093 0.000 2.077 124 E HA -0.200 3.564 4.350 -0.976 0.000 0.193 124 E C 2.253 178.835 176.600 -0.030 0.000 0.989 124 E CA 1.857 58.369 56.400 0.186 0.000 0.800 124 E CB -0.357 29.517 29.700 0.290 0.000 0.746 124 E HN 0.587 nan 8.360 nan 0.000 0.452 125 T N -0.604 113.630 114.554 -0.534 0.000 2.881 125 T HA -0.103 3.661 4.350 -0.976 0.000 0.270 125 T C 1.888 176.475 174.700 -0.189 0.000 1.068 125 T CA 0.847 62.465 62.100 -0.803 0.000 1.131 125 T CB -0.191 68.201 68.868 -0.794 0.000 0.871 125 T HN 0.076 nan 8.240 nan 0.000 0.479 126 I N 0.595 121.152 120.570 -0.022 0.000 2.731 126 I HA 0.244 3.829 4.170 -0.976 0.000 0.260 126 I C 2.964 179.277 176.117 0.326 0.000 1.138 126 I CA 0.773 62.150 61.300 0.128 0.000 1.461 126 I CB -0.207 37.832 38.000 0.064 0.000 1.128 126 I HN 0.333 nan 8.210 nan 0.000 0.438 127 A N -0.028 123.044 122.820 0.419 0.000 1.997 127 A HA 0.024 3.759 4.320 -0.976 0.000 0.212 127 A C 1.163 179.022 177.584 0.458 0.000 1.178 127 A CA 0.274 52.637 52.037 0.543 0.000 0.698 127 A CB -0.241 19.181 19.000 0.703 0.000 0.842 127 A HN 0.334 nan 8.150 nan 0.000 0.458 128 N N 0.952 119.930 118.700 0.463 0.000 2.405 128 N HA 0.196 4.351 4.740 -0.976 0.000 0.260 128 N C -2.227 173.417 175.510 0.223 0.000 1.152 128 N CA -2.023 51.178 53.050 0.251 0.000 0.948 128 N CB 1.180 39.928 38.487 0.435 0.000 1.111 128 N HN -0.033 nan 8.380 nan 0.000 0.485 129 P HA -0.037 nan 4.420 nan 0.000 0.225 129 P C 0.747 178.050 177.300 0.004 0.000 1.148 129 P CA 0.674 63.787 63.100 0.022 0.000 0.779 129 P CB 0.179 31.817 31.700 -0.103 0.000 0.780 130 A N -1.199 121.578 122.820 -0.072 0.000 1.978 130 A HA -0.210 3.525 4.320 -0.976 0.000 0.220 130 A C 1.669 179.144 177.584 -0.182 0.000 1.170 130 A CA 1.344 53.277 52.037 -0.174 0.000 0.636 130 A CB -1.730 17.096 19.000 -0.290 0.000 0.810 130 A HN 0.192 nan 8.150 nan 0.000 0.448 131 Y N -0.908 119.417 120.300 0.041 0.000 2.516 131 Y HA 0.270 4.236 4.550 -0.973 0.000 0.291 131 Y C 1.981 177.901 175.900 0.033 0.000 1.131 131 Y CA 0.463 58.588 58.100 0.041 0.000 1.281 131 Y CB -0.279 38.206 38.460 0.042 0.000 1.013 131 Y HN 0.448 nan 8.280 nan 0.000 0.554 132 G N 0.355 109.252 108.800 0.162 0.000 2.147 132 G HA2 -0.314 3.061 3.960 -0.976 0.000 0.244 132 G HA3 -0.314 3.061 3.960 -0.976 0.000 0.244 132 G C 0.347 175.316 174.900 0.116 0.000 1.005 132 G CA 0.333 45.498 45.100 0.108 0.000 0.713 132 G HN 0.399 nan 8.290 nan 0.000 0.515 133 S N -0.555 115.234 115.700 0.149 0.000 2.568 133 S HA 0.363 4.247 4.470 -0.976 0.000 0.282 133 S C 0.986 175.662 174.600 0.127 0.000 1.338 133 S CA 0.490 58.765 58.200 0.124 0.000 1.045 133 S CB 0.511 63.790 63.200 0.130 0.000 0.873 133 S HN 0.223 nan 8.310 nan 0.000 0.516 134 D N 2.803 123.265 120.400 0.103 0.000 2.363 134 D HA 0.163 4.217 4.640 -0.976 0.000 0.214 134 D C 0.992 177.360 176.300 0.113 0.000 1.093 134 D CA 0.152 54.216 54.000 0.108 0.000 0.837 134 D CB 0.201 41.049 40.800 0.080 0.000 0.948 134 D HN 0.513 nan 8.370 nan 0.000 0.507 135 R N -0.214 120.352 120.500 0.110 0.000 2.393 135 R HA 0.066 3.820 4.340 -0.976 0.000 0.244 135 R C 0.617 176.956 176.300 0.066 0.000 0.920 135 R CA -0.460 55.678 56.100 0.063 0.000 1.076 135 R CB 0.588 30.901 30.300 0.021 0.000 1.119 135 R HN 0.183 nan 8.270 nan 0.000 0.524 136 W N 3.390 124.673 121.300 -0.028 0.000 2.257 136 W HA -0.028 4.046 4.660 -0.978 0.000 0.337 136 W C -0.355 176.119 176.519 -0.076 0.000 1.321 136 W CA 1.077 58.370 57.345 -0.087 0.000 1.267 136 W CB 0.593 29.962 29.460 -0.151 0.000 1.187 136 W HN -0.029 nan 8.180 nan 0.000 0.565 137 T N 1.959 115.953 114.554 -0.933 0.000 2.916 137 T HA 0.158 3.922 4.350 -0.976 0.000 0.292 137 T C 0.563 174.723 174.700 -0.899 0.000 1.055 137 T CA -0.695 61.006 62.100 -0.664 0.000 1.009 137 T CB 1.854 70.464 68.868 -0.429 0.000 1.118 137 T HN 0.354 nan 8.240 nan 0.000 0.497 138 D N 1.038 121.225 120.400 -0.354 0.000 2.182 138 D HA -0.073 3.981 4.640 -0.976 0.000 0.201 138 D C 2.146 178.330 176.300 -0.194 0.000 0.986 138 D CA 1.319 55.228 54.000 -0.151 0.000 0.847 138 D CB -0.340 40.436 40.800 -0.040 0.000 0.942 138 D HN 0.564 nan 8.370 nan 0.000 0.467 139 S N 0.011 115.545 115.700 -0.277 0.000 2.400 139 S HA -0.098 3.786 4.470 -0.976 0.000 0.232 139 S C 2.049 176.584 174.600 -0.107 0.000 1.025 139 S CA 0.473 58.551 58.200 -0.202 0.000 0.993 139 S CB -0.140 62.742 63.200 -0.531 0.000 0.808 139 S HN 0.323 nan 8.310 nan 0.000 0.478 140 L N 0.902 121.904 121.223 -0.369 0.000 2.275 140 L HA -0.027 3.728 4.340 -0.976 0.000 0.215 140 L C 2.567 179.405 176.870 -0.053 0.000 1.119 140 L CA 0.736 55.398 54.840 -0.296 0.000 0.790 140 L CB -0.617 40.985 42.059 -0.761 0.000 0.919 140 L HN 0.305 nan 8.230 nan 0.000 0.443 141 A N 0.315 123.137 122.820 0.003 0.000 2.125 141 A HA -0.228 3.506 4.320 -0.976 0.000 0.219 141 A C 1.956 179.657 177.584 0.196 0.000 1.156 141 A CA 1.747 53.922 52.037 0.230 0.000 0.671 141 A CB -0.686 18.472 19.000 0.263 0.000 0.794 141 A HN 0.483 nan 8.150 nan 0.000 0.459 142 N N -0.353 118.465 118.700 0.196 0.000 2.512 142 N HA 0.025 4.180 4.740 -0.976 0.000 0.183 142 N C 0.147 175.836 175.510 0.298 0.000 1.073 142 N CA 0.243 53.432 53.050 0.232 0.000 0.911 142 N CB -0.362 38.276 38.487 0.251 0.000 0.964 142 N HN 0.499 nan 8.380 nan 0.000 0.447 143 I N 1.176 121.906 120.570 0.266 0.000 2.416 143 I HA 0.061 3.646 4.170 -0.976 0.000 0.288 143 I C 0.018 176.175 176.117 0.066 0.000 1.051 143 I CA -0.771 60.610 61.300 0.136 0.000 1.375 143 I CB 1.312 39.357 38.000 0.075 0.000 1.407 143 I HN -0.205 nan 8.210 nan 0.000 0.516 144 V N 6.894 126.801 119.914 -0.012 0.000 2.557 144 V HA 0.041 3.576 4.120 -0.976 0.000 0.301 144 V C 1.349 177.442 176.094 -0.002 0.000 1.026 144 V CA 1.536 63.835 62.300 -0.003 0.000 1.137 144 V CB 0.184 31.980 31.823 -0.045 0.000 0.917 144 V HN 1.187 nan 8.190 nan 0.000 0.484 145 G N 3.832 112.660 108.800 0.048 0.000 2.205 145 G HA2 -0.281 3.093 3.960 -0.976 0.000 0.261 145 G HA3 -0.281 3.093 3.960 -0.976 0.000 0.261 145 G C 0.570 175.551 174.900 0.136 0.000 0.980 145 G CA 0.493 45.633 45.100 0.067 0.000 0.632 145 G HN 0.717 nan 8.290 nan 0.000 0.533 146 L N 1.411 122.737 121.223 0.171 0.000 2.095 146 L HA 0.304 4.058 4.340 -0.976 0.000 0.204 146 L C 2.709 179.828 176.870 0.414 0.000 1.080 146 L CA 2.908 57.925 54.840 0.295 0.000 0.759 146 L CB -0.843 41.403 42.059 0.313 0.000 0.914 146 L HN 0.226 nan 8.230 nan 0.000 0.439 147 S N 0.025 115.953 115.700 0.380 0.000 2.365 147 S HA -0.226 3.658 4.470 -0.976 0.000 0.225 147 S C 1.589 176.306 174.600 0.196 0.000 1.039 147 S CA 1.679 60.074 58.200 0.325 0.000 1.033 147 S CB -0.485 62.877 63.200 0.271 0.000 0.887 147 S HN 0.528 nan 8.310 nan 0.000 0.447 148 D N -0.340 120.160 120.400 0.168 0.000 2.178 148 D HA -0.078 3.976 4.640 -0.976 0.000 0.201 148 D C 1.557 177.926 176.300 0.114 0.000 0.980 148 D CA 0.793 54.858 54.000 0.108 0.000 0.842 148 D CB -0.290 40.568 40.800 0.096 0.000 0.948 148 D HN 0.524 nan 8.370 nan 0.000 0.472 149 Y N 0.329 120.672 120.300 0.073 0.000 2.200 149 Y HA -0.224 3.740 4.550 -0.977 0.000 0.290 149 Y C 2.400 178.331 175.900 0.053 0.000 1.137 149 Y CA 1.801 59.946 58.100 0.074 0.000 1.163 149 Y CB -0.340 38.187 38.460 0.112 0.000 0.988 149 Y HN 0.055 nan 8.280 nan 0.000 0.518 150 H N -0.367 118.671 119.070 -0.053 0.000 2.421 150 H HA -0.100 3.870 4.556 -0.976 0.000 0.298 150 H C 1.990 177.117 175.328 -0.335 0.000 1.087 150 H CA 2.131 57.990 56.048 -0.314 0.000 1.330 150 H CB -0.426 28.892 29.762 -0.740 0.000 1.388 150 H HN 0.398 nan 8.280 nan 0.000 0.526 151 T N -3.764 110.601 114.554 -0.316 0.000 3.107 151 T HA 0.241 4.005 4.350 -0.976 0.000 0.249 151 T C 1.669 176.228 174.700 -0.234 0.000 1.096 151 T CA 0.474 62.384 62.100 -0.317 0.000 1.012 151 T CB -0.200 68.559 68.868 -0.182 0.000 0.977 151 T HN 0.574 nan 8.240 nan 0.000 0.527 152 G N 1.893 110.550 108.800 -0.238 0.000 2.159 152 G HA2 -0.335 3.039 3.960 -0.976 0.000 0.256 152 G HA3 -0.335 3.039 3.960 -0.976 0.000 0.256 152 G C 0.677 175.510 174.900 -0.112 0.000 0.977 152 G CA 0.590 45.570 45.100 -0.200 0.000 0.652 152 G HN 0.669 nan 8.290 nan 0.000 0.531 153 K N 0.346 120.701 120.400 -0.075 0.000 2.155 153 K HA 0.498 4.232 4.320 -0.976 0.000 0.203 153 K C 1.253 177.855 176.600 0.003 0.000 1.052 153 K CA 1.364 57.634 56.287 -0.029 0.000 0.948 153 K CB -0.061 32.431 32.500 -0.012 0.000 0.728 153 K HN 0.920 nan 8.250 nan 0.000 0.448 154 A N 0.568 123.406 122.820 0.029 0.000 2.365 154 A HA 0.357 4.091 4.320 -0.976 0.000 0.318 154 A C -0.090 177.574 177.584 0.133 0.000 1.091 154 A CA -0.805 51.283 52.037 0.086 0.000 0.763 154 A CB 1.428 20.505 19.000 0.128 0.000 1.248 154 A HN 0.071 nan 8.150 nan 0.000 0.442 155 K N 0.358 120.843 120.400 0.142 0.000 2.365 155 K HA 0.047 3.782 4.320 -0.976 0.000 0.197 155 K C 0.678 177.478 176.600 0.332 0.000 1.042 155 K CA 1.470 57.869 56.287 0.186 0.000 0.987 155 K CB 0.085 32.654 32.500 0.115 0.000 0.779 155 K HN 0.930 nan 8.250 nan 0.000 0.484 156 T N -2.630 112.089 114.554 0.275 0.000 2.838 156 T HA 0.580 4.345 4.350 -0.976 0.000 0.292 156 T C -0.184 174.552 174.700 0.060 0.000 1.113 156 T CA -0.847 61.337 62.100 0.141 0.000 1.008 156 T CB 1.591 70.494 68.868 0.059 0.000 1.259 156 T HN -0.086 nan 8.240 nan 0.000 0.520 157 I N 2.976 123.459 120.570 -0.144 0.000 2.306 157 I HA 0.214 3.798 4.170 -0.976 0.000 0.288 157 I C 1.677 177.709 176.117 -0.142 0.000 1.036 157 I CA -0.623 60.582 61.300 -0.159 0.000 1.221 157 I CB 1.498 39.316 38.000 -0.304 0.000 1.385 157 I HN 0.944 nan 8.210 nan 0.000 0.472 158 S N 3.718 119.372 115.700 -0.077 0.000 2.402 158 S HA -0.108 3.776 4.470 -0.976 0.000 0.229 158 S C 1.906 176.418 174.600 -0.146 0.000 1.021 158 S CA 0.954 59.100 58.200 -0.089 0.000 0.974 158 S CB -0.394 62.782 63.200 -0.040 0.000 0.800 158 S HN 0.746 nan 8.310 nan 0.000 0.484 159 G N 0.824 109.528 108.800 -0.161 0.000 2.679 159 G HA2 0.255 3.629 3.960 -0.976 0.000 0.212 159 G HA3 0.255 3.629 3.960 -0.976 0.000 0.212 159 G C 0.449 175.159 174.900 -0.318 0.000 1.137 159 G CA -0.036 44.932 45.100 -0.220 0.000 0.787 159 G HN 0.564 nan 8.290 nan 0.000 0.534 160 I N 2.089 122.441 120.570 -0.363 0.000 2.330 160 I HA 0.337 3.921 4.170 -0.976 0.000 0.289 160 I C 0.148 175.885 176.117 -0.633 0.000 1.001 160 I CA -0.460 60.553 61.300 -0.479 0.000 1.193 160 I CB 1.743 39.435 38.000 -0.512 0.000 1.345 160 I HN 0.011 nan 8.210 nan 0.000 0.461 161 T N 2.059 116.224 114.554 -0.649 0.000 2.916 161 T HA 0.668 4.432 4.350 -0.976 0.000 0.292 161 T C -0.755 173.519 174.700 -0.710 0.000 1.064 161 T CA -0.672 61.010 62.100 -0.696 0.000 1.011 161 T CB 1.771 70.444 68.868 -0.325 0.000 1.152 161 T HN 0.130 nan 8.240 nan 0.000 0.510 162 F N 1.041 120.968 119.950 -0.038 0.000 2.532 162 F HA 0.446 4.386 4.527 -0.978 0.000 0.365 162 F C -1.969 173.815 175.800 -0.027 0.000 1.112 162 F CA -2.519 55.466 58.000 -0.025 0.000 1.082 162 F CB 1.191 40.183 39.000 -0.014 0.000 1.319 162 F HN 0.371 nan 8.300 nan 0.000 0.457 163 P HA -0.171 nan 4.420 nan 0.000 0.217 163 P C 0.339 177.673 177.300 0.058 0.000 1.148 163 P CA 1.587 64.715 63.100 0.047 0.000 0.834 163 P CB 0.307 32.017 31.700 0.017 0.000 0.783 164 D N -1.532 118.915 120.400 0.078 0.000 2.593 164 D HA 0.337 4.392 4.640 -0.976 0.000 0.241 164 D C 0.993 177.321 176.300 0.047 0.000 1.257 164 D CA 0.352 54.380 54.000 0.047 0.000 0.828 164 D CB 0.288 41.101 40.800 0.022 0.000 1.049 164 D HN 0.083 nan 8.370 nan 0.000 0.490 165 G N 1.278 110.136 108.800 0.097 0.000 2.828 165 G HA2 -0.280 3.094 3.960 -0.976 0.000 0.463 165 G HA3 -0.280 3.094 3.960 -0.976 0.000 0.463 165 G C 0.668 175.501 174.900 -0.112 0.000 1.394 165 G CA -0.504 44.628 45.100 0.054 0.000 0.862 165 G HN 0.171 nan 8.290 nan 0.000 0.540 166 E N 0.084 120.119 120.200 -0.275 0.000 2.150 166 E HA -0.084 3.680 4.350 -0.976 0.000 0.193 166 E C 1.971 178.372 176.600 -0.331 0.000 0.985 166 E CA 1.370 57.413 56.400 -0.594 0.000 0.814 166 E CB -0.023 29.408 29.700 -0.449 0.000 0.752 166 E HN 0.492 nan 8.360 nan 0.000 0.466 167 N N 0.117 118.720 118.700 -0.161 0.000 2.322 167 N HA 0.050 4.204 4.740 -0.976 0.000 0.194 167 N C 0.380 175.855 175.510 -0.058 0.000 1.126 167 N CA 0.002 53.002 53.050 -0.082 0.000 0.845 167 N CB 0.918 39.380 38.487 -0.042 0.000 0.976 167 N HN 0.015 nan 8.380 nan 0.000 0.475 168 G N 0.082 108.842 108.800 -0.068 0.000 2.508 168 G HA2 0.118 3.492 3.960 -0.976 0.000 0.278 168 G HA3 0.118 3.492 3.960 -0.976 0.000 0.278 168 G C 0.632 175.513 174.900 -0.030 0.000 1.389 168 G CA -0.282 44.798 45.100 -0.033 0.000 1.050 168 G HN 0.020 nan 8.290 nan 0.000 0.522 169 K N -1.028 119.361 120.400 -0.019 0.000 2.374 169 K HA 0.261 3.995 4.320 -0.976 0.000 0.202 169 K C -0.175 176.414 176.600 -0.018 0.000 1.040 169 K CA 0.063 56.331 56.287 -0.031 0.000 1.085 169 K CB 1.163 33.630 32.500 -0.056 0.000 0.873 169 K HN 0.160 nan 8.250 nan 0.000 0.539 170 V N 2.117 122.046 119.914 0.026 0.000 2.604 170 V HA 0.483 4.017 4.120 -0.976 0.000 0.305 170 V C -0.495 175.676 176.094 0.129 0.000 1.043 170 V CA -1.023 61.297 62.300 0.034 0.000 0.888 170 V CB 1.819 33.650 31.823 0.013 0.000 0.995 170 V HN -0.042 nan 8.190 nan 0.000 0.429 171 I N 3.740 124.364 120.570 0.090 0.000 2.533 171 I HA 0.530 4.115 4.170 -0.976 0.000 0.290 171 I C -0.226 175.886 176.117 -0.009 0.000 1.056 171 I CA -0.500 60.883 61.300 0.138 0.000 1.057 171 I CB 1.972 40.153 38.000 0.300 0.000 1.240 171 I HN 0.411 nan 8.210 nan 0.000 0.423 172 K N 4.351 124.696 120.400 -0.091 0.000 2.244 172 K HA 0.783 4.517 4.320 -0.976 0.000 0.260 172 K C -1.363 175.098 176.600 -0.231 0.000 0.951 172 K CA -0.808 55.389 56.287 -0.150 0.000 0.826 172 K CB 2.501 34.915 32.500 -0.144 0.000 1.108 172 K HN 0.331 nan 8.250 nan 0.000 0.433 173 V N 3.270 123.012 119.914 -0.287 0.000 2.407 173 V HA 0.183 3.717 4.120 -0.976 0.000 0.291 173 V C -0.508 175.162 176.094 -0.708 0.000 1.018 173 V CA -0.828 61.191 62.300 -0.469 0.000 0.842 173 V CB 1.438 33.007 31.823 -0.424 0.000 0.996 173 V HN 0.674 nan 8.190 nan 0.000 0.426 174 Q N 3.736 123.176 119.800 -0.599 0.000 2.278 174 Q HA 0.624 4.379 4.340 -0.976 0.000 0.257 174 Q C -1.377 174.290 176.000 -0.556 0.000 0.928 174 Q CA -0.069 55.445 55.803 -0.482 0.000 0.932 174 Q CB 1.099 29.690 28.738 -0.245 0.000 1.221 174 Q HN 0.544 nan 8.270 nan 0.000 0.434 175 F N 1.712 121.649 119.950 -0.023 0.000 2.483 175 F HA 0.432 4.372 4.527 -0.978 0.000 0.329 175 F C 1.169 176.962 175.800 -0.012 0.000 1.064 175 F CA -0.784 57.214 58.000 -0.004 0.000 0.986 175 F CB 1.249 40.244 39.000 -0.007 0.000 1.218 175 F HN 0.566 nan 8.300 nan 0.000 0.484 176 K N -0.047 120.475 120.400 0.204 0.000 2.062 176 K HA 0.027 3.761 4.320 -0.976 0.000 0.205 176 K C -0.179 176.467 176.600 0.077 0.000 1.051 176 K CA 1.103 57.454 56.287 0.107 0.000 0.941 176 K CB 0.117 32.670 32.500 0.089 0.000 0.719 176 K HN 0.444 nan 8.250 nan 0.000 0.440 177 E N 0.095 120.333 120.200 0.063 0.000 2.331 177 E HA 0.239 4.003 4.350 -0.976 0.000 0.275 177 E C -0.663 175.863 176.600 -0.123 0.000 0.895 177 E CA -0.517 55.867 56.400 -0.027 0.000 0.753 177 E CB 1.696 31.357 29.700 -0.065 0.000 1.216 177 E HN -0.066 nan 8.360 nan 0.000 0.434 178 M N 1.321 120.837 119.600 -0.140 0.000 2.255 178 M HA 0.336 4.230 4.480 -0.976 0.000 0.336 178 M C 0.048 176.160 176.300 -0.313 0.000 1.135 178 M CA -0.177 54.972 55.300 -0.251 0.000 1.145 178 M CB 0.123 32.640 32.600 -0.138 0.000 1.473 178 M HN 0.121 nan 8.290 nan 0.000 0.462 179 K N 2.608 122.764 120.400 -0.407 0.000 2.443 179 K HA 0.393 4.127 4.320 -0.976 0.000 0.252 179 K C -2.014 174.467 176.600 -0.198 0.000 0.933 179 K CA -1.585 54.470 56.287 -0.386 0.000 0.792 179 K CB 1.957 33.984 32.500 -0.789 0.000 1.185 179 K HN 0.225 nan 8.250 nan 0.000 0.425 180 P HA -0.102 nan 4.420 nan 0.000 0.223 180 P C 1.094 178.422 177.300 0.048 0.000 1.151 180 P CA 0.830 63.920 63.100 -0.017 0.000 0.787 180 P CB 0.241 31.937 31.700 -0.007 0.000 0.788 181 G N -0.208 108.614 108.800 0.037 0.000 2.625 181 G HA2 -0.156 3.218 3.960 -0.976 0.000 0.214 181 G HA3 -0.156 3.218 3.960 -0.976 0.000 0.214 181 G C 1.408 176.402 174.900 0.157 0.000 1.132 181 G CA 0.076 45.236 45.100 0.101 0.000 0.782 181 G HN 0.210 nan 8.290 nan 0.000 0.538 182 M N 1.258 120.952 119.600 0.156 0.000 2.539 182 M HA -0.050 3.844 4.480 -0.976 0.000 0.261 182 M C 2.473 179.042 176.300 0.449 0.000 1.069 182 M CA 1.491 56.975 55.300 0.307 0.000 1.081 182 M CB -0.128 32.603 32.600 0.220 0.000 1.412 182 M HN 0.319 nan 8.290 nan 0.000 0.482 183 T N -3.034 111.701 114.554 0.302 0.000 3.129 183 T HA 0.108 3.872 4.350 -0.976 0.000 0.251 183 T C 0.654 175.386 174.700 0.054 0.000 1.117 183 T CA -0.035 62.259 62.100 0.324 0.000 1.034 183 T CB 0.139 69.143 68.868 0.228 0.000 0.968 183 T HN 0.126 nan 8.240 nan 0.000 0.526 184 Q N 1.861 121.634 119.800 -0.047 0.000 2.293 184 Q HA 0.462 4.216 4.340 -0.976 0.000 0.261 184 Q C -0.302 175.367 176.000 -0.552 0.000 0.960 184 Q CA -0.234 55.429 55.803 -0.234 0.000 0.882 184 Q CB 1.983 30.759 28.738 0.063 0.000 1.275 184 Q HN 0.335 nan 8.270 nan 0.000 0.445 185 S N 0.622 115.815 115.700 -0.845 0.000 2.563 185 S HA 0.288 4.173 4.470 -0.976 0.000 0.284 185 S C 1.072 175.597 174.600 -0.125 0.000 1.331 185 S CA 1.316 59.270 58.200 -0.410 0.000 1.047 185 S CB 0.055 63.197 63.200 -0.096 0.000 0.859 185 S HN 0.897 nan 8.310 nan 0.000 0.514 186 G N 3.781 112.560 108.800 -0.034 0.000 2.143 186 G HA2 -0.324 3.050 3.960 -0.976 0.000 0.249 186 G HA3 -0.324 3.050 3.960 -0.976 0.000 0.249 186 G C 0.471 175.295 174.900 -0.128 0.000 0.981 186 G CA 0.820 45.874 45.100 -0.077 0.000 0.665 186 G HN 0.991 nan 8.290 nan 0.000 0.528 187 N N -0.282 118.334 118.700 -0.141 0.000 2.309 187 N HA 0.299 4.453 4.740 -0.976 0.000 0.182 187 N C 2.019 177.318 175.510 -0.352 0.000 1.018 187 N CA 2.001 54.953 53.050 -0.163 0.000 0.876 187 N CB -0.343 38.133 38.487 -0.018 0.000 0.972 187 N HN 1.657 nan 8.380 nan 0.000 0.434 188 G N -1.246 107.355 108.800 -0.332 0.000 2.205 188 G HA2 -0.350 3.024 3.960 -0.976 0.000 0.261 188 G HA3 -0.350 3.024 3.960 -0.976 0.000 0.261 188 G C 0.583 175.255 174.900 -0.380 0.000 0.980 188 G CA 0.580 45.455 45.100 -0.376 0.000 0.632 188 G HN 0.411 nan 8.290 nan 0.000 0.533 189 Y N 0.104 120.339 120.300 -0.108 0.000 2.395 189 Y HA 0.411 4.376 4.550 -0.974 0.000 0.293 189 Y C 1.424 177.539 175.900 0.358 0.000 1.123 189 Y CA 1.080 59.208 58.100 0.045 0.000 1.227 189 Y CB -0.094 38.338 38.460 -0.047 0.000 1.012 189 Y HN 0.566 nan 8.280 nan 0.000 0.552 190 F N -2.487 117.702 119.950 0.398 0.000 2.626 190 F HA 0.692 4.634 4.527 -0.976 0.000 0.311 190 F C -1.318 174.690 175.800 0.348 0.000 1.088 190 F CA -2.286 56.011 58.000 0.496 0.000 0.949 190 F CB 0.773 40.152 39.000 0.632 0.000 1.322 190 F HN -0.403 nan 8.300 nan 0.000 0.461 191 L N 1.035 122.530 121.223 0.454 0.000 2.416 191 L HA 0.500 4.255 4.340 -0.976 0.000 0.262 191 L C 0.196 177.389 176.870 0.538 0.000 1.093 191 L CA -0.507 54.425 54.840 0.154 0.000 0.801 191 L CB 1.411 43.226 42.059 -0.407 0.000 1.191 191 L HN 0.815 nan 8.230 nan 0.000 0.459 192 E N -0.232 120.192 120.200 0.373 0.000 2.758 192 E HA 0.112 3.876 4.350 -0.976 0.000 0.215 192 E C -0.584 176.112 176.600 0.160 0.000 0.985 192 E CA -0.071 56.574 56.400 0.410 0.000 1.102 192 E CB 1.084 31.070 29.700 0.478 0.000 1.042 192 E HN 0.750 nan 8.360 nan 0.000 0.480 193 T N -1.768 112.911 114.554 0.210 0.000 2.916 193 T HA 0.631 4.395 4.350 -0.976 0.000 0.292 193 T C -0.029 174.828 174.700 0.262 0.000 1.055 193 T CA -0.884 61.318 62.100 0.171 0.000 1.009 193 T CB 1.962 70.916 68.868 0.144 0.000 1.118 193 T HN -0.041 nan 8.240 nan 0.000 0.497 194 V N -1.285 118.794 119.914 0.274 0.000 2.881 194 V HA 1.011 4.546 4.120 -0.976 0.000 0.316 194 V C -0.131 176.292 176.094 0.549 0.000 1.070 194 V CA -1.243 61.296 62.300 0.399 0.000 0.976 194 V CB 0.907 32.926 31.823 0.326 0.000 1.038 194 V HN 1.495 nan 8.190 nan 0.000 0.446 195 A N 3.264 126.446 122.820 0.603 0.000 2.393 195 A HA 0.912 4.646 4.320 -0.976 0.000 0.306 195 A C -2.934 174.928 177.584 0.464 0.000 1.050 195 A CA -1.930 50.413 52.037 0.509 0.000 0.724 195 A CB 2.022 21.186 19.000 0.273 0.000 1.248 195 A HN 0.754 nan 8.150 nan 0.000 0.424 196 P HA 0.067 nan 4.420 nan 0.000 0.260 196 P C -0.011 177.217 177.300 -0.121 0.000 1.651 196 P CA 0.137 62.845 63.100 -0.652 0.000 1.139 196 P CB -0.021 30.786 31.700 -1.490 0.000 1.756 197 Y N 4.140 124.384 120.300 -0.093 0.000 2.165 197 Y HA -0.262 3.701 4.550 -0.978 0.000 0.286 197 Y C 2.148 177.875 175.900 -0.289 0.000 1.155 197 Y CA 1.934 59.779 58.100 -0.425 0.000 1.164 197 Y CB -0.317 37.868 38.460 -0.459 0.000 0.978 197 Y HN 0.183 nan 8.280 nan 0.000 0.513 198 Q N -1.235 118.419 119.800 -0.244 0.000 2.170 198 Q HA -0.223 3.531 4.340 -0.976 0.000 0.203 198 Q C 2.035 177.907 176.000 -0.215 0.000 0.976 198 Q CA 1.551 57.202 55.803 -0.253 0.000 0.858 198 Q CB -0.780 27.912 28.738 -0.075 0.000 0.907 198 Q HN 0.683 nan 8.270 nan 0.000 0.433 199 Y N 0.143 120.239 120.300 -0.341 0.000 2.395 199 Y HA -0.024 3.939 4.550 -0.978 0.000 0.293 199 Y C 1.591 177.350 175.900 -0.235 0.000 1.123 199 Y CA 0.940 58.873 58.100 -0.279 0.000 1.227 199 Y CB 0.251 38.516 38.460 -0.324 0.000 1.012 199 Y HN -0.008 nan 8.280 nan 0.000 0.552 200 L N -0.043 121.039 121.223 -0.236 0.000 2.858 200 L HA 0.085 3.839 4.340 -0.976 0.000 0.251 200 L C 1.977 178.705 176.870 -0.236 0.000 1.149 200 L CA 0.090 54.823 54.840 -0.178 0.000 0.955 200 L CB -0.054 42.067 42.059 0.103 0.000 1.289 200 L HN 0.007 nan 8.230 nan 0.000 0.542 201 K N -0.530 119.551 120.400 -0.532 0.000 2.280 201 K HA -0.136 3.598 4.320 -0.976 0.000 0.202 201 K C 0.422 176.876 176.600 -0.243 0.000 1.047 201 K CA 1.429 57.336 56.287 -0.634 0.000 0.942 201 K CB -0.050 31.794 32.500 -1.094 0.000 0.739 201 K HN 0.176 nan 8.250 nan 0.000 0.457 202 D N 1.155 121.439 120.400 -0.194 0.000 2.349 202 D HA 0.071 4.125 4.640 -0.976 0.000 0.214 202 D C -0.205 176.054 176.300 -0.069 0.000 1.063 202 D CA 0.043 53.977 54.000 -0.110 0.000 0.847 202 D CB 0.554 41.283 40.800 -0.118 0.000 0.933 202 D HN -0.033 nan 8.370 nan 0.000 0.513 203 V N 1.768 121.651 119.914 -0.052 0.000 2.488 203 V HA 0.349 3.884 4.120 -0.976 0.000 0.277 203 V C 0.783 176.901 176.094 0.040 0.000 1.046 203 V CA -1.144 61.150 62.300 -0.010 0.000 0.986 203 V CB 0.925 32.750 31.823 0.005 0.000 0.989 203 V HN 0.111 nan 8.190 nan 0.000 0.475 204 A N 7.280 130.107 122.820 0.011 0.000 2.546 204 A HA 0.273 4.007 4.320 -0.976 0.000 0.243 204 A C -1.017 176.565 177.584 -0.003 0.000 1.063 204 A CA -0.643 51.392 52.037 -0.004 0.000 0.757 204 A CB -0.181 18.805 19.000 -0.023 0.000 0.991 204 A HN 0.742 nan 8.150 nan 0.000 0.503 205 P HA -0.255 nan 4.420 nan 0.000 0.216 205 P C 1.327 178.545 177.300 -0.137 0.000 1.154 205 P CA 2.168 65.075 63.100 -0.321 0.000 0.865 205 P CB 0.043 31.197 31.700 -0.910 0.000 0.789 206 K N -1.124 119.207 120.400 -0.115 0.000 2.362 206 K HA -0.111 3.624 4.320 -0.976 0.000 0.200 206 K C 0.674 177.275 176.600 0.001 0.000 1.046 206 K CA 1.523 57.782 56.287 -0.047 0.000 0.952 206 K CB -0.500 31.969 32.500 -0.052 0.000 0.753 206 K HN 0.089 nan 8.250 nan 0.000 0.466 207 D N 0.585 120.992 120.400 0.012 0.000 2.369 207 D HA 0.006 4.061 4.640 -0.976 0.000 0.211 207 D C 1.457 177.789 176.300 0.053 0.000 1.077 207 D CA 0.003 54.017 54.000 0.024 0.000 0.842 207 D CB 0.366 41.170 40.800 0.007 0.000 0.947 207 D HN 0.104 nan 8.370 nan 0.000 0.509 208 L N 1.506 122.793 121.223 0.107 0.000 2.027 208 L HA -0.024 3.730 4.340 -0.976 0.000 0.206 208 L C 2.151 179.083 176.870 0.103 0.000 1.074 208 L CA 1.522 56.449 54.840 0.145 0.000 0.745 208 L CB -0.704 41.526 42.059 0.285 0.000 0.898 208 L HN -0.028 nan 8.230 nan 0.000 0.433 209 A N -1.157 121.719 122.820 0.095 0.000 1.972 209 A HA -0.184 3.550 4.320 -0.976 0.000 0.219 209 A C 2.301 179.903 177.584 0.030 0.000 1.169 209 A CA 1.910 53.981 52.037 0.057 0.000 0.635 209 A CB -0.868 18.161 19.000 0.049 0.000 0.810 209 A HN 0.640 nan 8.150 nan 0.000 0.446 210 S N -1.165 114.551 115.700 0.027 0.000 2.556 210 S HA 0.202 4.086 4.470 -0.976 0.000 0.216 210 S C 0.847 175.455 174.600 0.013 0.000 0.970 210 S CA 0.443 58.649 58.200 0.011 0.000 0.912 210 S CB -0.476 62.727 63.200 0.005 0.000 0.790 210 S HN 0.428 nan 8.310 nan 0.000 0.504 211 S N 2.869 118.582 115.700 0.022 0.000 2.562 211 S HA 0.258 4.142 4.470 -0.976 0.000 0.281 211 S C -1.513 173.099 174.600 0.020 0.000 1.333 211 S CA -1.192 57.014 58.200 0.010 0.000 1.052 211 S CB 0.661 63.862 63.200 0.002 0.000 0.884 211 S HN 0.064 nan 8.310 nan 0.000 0.506 212 P HA -0.149 nan 4.420 nan 0.000 0.217 212 P C 0.762 178.093 177.300 0.052 0.000 1.151 212 P CA 1.577 64.692 63.100 0.025 0.000 0.849 212 P CB 0.052 31.755 31.700 0.004 0.000 0.787 213 K N -1.227 119.182 120.400 0.014 0.000 2.442 213 K HA -0.040 3.695 4.320 -0.976 0.000 0.198 213 K C 1.317 178.017 176.600 0.167 0.000 1.044 213 K CA 1.620 57.939 56.287 0.053 0.000 0.948 213 K CB -0.534 31.820 32.500 -0.244 0.000 0.762 213 K HN 0.346 nan 8.250 nan 0.000 0.472 214 T N -3.611 111.035 114.554 0.153 0.000 3.091 214 T HA 0.100 3.864 4.350 -0.976 0.000 0.277 214 T C 1.186 176.086 174.700 0.333 0.000 0.996 214 T CA 0.184 62.426 62.100 0.237 0.000 0.897 214 T CB 0.425 69.394 68.868 0.167 0.000 1.109 214 T HN 0.147 nan 8.240 nan 0.000 0.534 215 T N -0.853 113.866 114.554 0.275 0.000 3.425 215 T HA 0.114 3.879 4.350 -0.976 0.000 0.225 215 T C 1.981 176.859 174.700 0.296 0.000 0.992 215 T CA 0.836 63.067 62.100 0.219 0.000 1.174 215 T CB -0.179 68.718 68.868 0.049 0.000 1.240 215 T HN 0.244 nan 8.240 nan 0.000 0.350 216 T N -0.294 114.353 114.554 0.154 0.000 3.044 216 T HA 0.349 4.113 4.350 -0.976 0.000 0.255 216 T C 0.682 175.421 174.700 0.064 0.000 1.073 216 T CA 0.327 62.496 62.100 0.116 0.000 1.125 216 T CB -0.147 68.758 68.868 0.061 0.000 0.908 216 T HN 0.206 nan 8.240 nan 0.000 0.480 217 K N 2.410 122.840 120.400 0.051 0.000 3.146 217 K HA 0.397 4.131 4.320 -0.976 0.000 0.168 217 K C -2.830 173.798 176.600 0.045 0.000 1.075 217 K CA -2.084 54.217 56.287 0.024 0.000 0.843 217 K CB 1.703 34.243 32.500 0.068 0.000 1.002 217 K HN 0.313 nan 8.250 nan 0.000 0.597 218 P HA 0.234 nan 4.420 nan 0.000 0.278 218 P C -0.495 176.632 177.300 -0.288 0.000 1.266 218 P CA -0.566 62.446 63.100 -0.148 0.000 0.807 218 P CB 1.285 32.684 31.700 -0.501 0.000 1.094 219 L N 0.553 121.566 121.223 -0.351 0.000 2.322 219 L HA 0.571 4.325 4.340 -0.976 0.000 0.279 219 L C 0.654 177.559 176.870 0.059 0.000 1.036 219 L CA -0.909 53.747 54.840 -0.307 0.000 0.807 219 L CB 1.551 43.250 42.059 -0.600 0.000 1.226 219 L HN 0.248 nan 8.230 nan 0.000 0.433 220 V N -1.095 118.954 119.914 0.225 0.000 3.158 220 V HA 0.619 4.153 4.120 -0.976 0.000 0.311 220 V C 0.311 176.612 176.094 0.345 0.000 1.181 220 V CA -0.069 62.434 62.300 0.338 0.000 1.054 220 V CB 1.797 33.699 31.823 0.131 0.000 1.085 220 V HN 0.832 nan 8.190 nan 0.000 0.446 221 T N -2.390 112.298 114.554 0.224 0.000 3.040 221 T HA 0.433 4.198 4.350 -0.976 0.000 0.266 221 T C 0.868 175.712 174.700 0.240 0.000 1.005 221 T CA 0.526 62.698 62.100 0.120 0.000 0.906 221 T CB -0.132 68.694 68.868 -0.069 0.000 1.082 221 T HN 1.427 nan 8.240 nan 0.000 0.531 222 G N 2.437 111.342 108.800 0.174 0.000 2.588 222 G HA2 0.463 3.837 3.960 -0.976 0.000 0.278 222 G HA3 0.463 3.837 3.960 -0.976 0.000 0.278 222 G C -1.282 173.443 174.900 -0.290 0.000 1.307 222 G CA -1.273 43.848 45.100 0.035 0.000 1.016 222 G HN 0.053 nan 8.290 nan 0.000 0.503 223 P HA 0.011 nan 4.420 nan 0.000 0.221 223 P C -0.114 176.786 177.300 -0.668 0.000 1.150 223 P CA 0.973 63.421 63.100 -1.087 0.000 0.800 223 P CB 0.154 31.273 31.700 -0.969 0.000 0.787 224 F N 0.483 120.266 119.950 -0.278 0.000 2.556 224 F HA 0.438 4.380 4.527 -0.974 0.000 0.327 224 F C 0.939 176.760 175.800 0.035 0.000 1.059 224 F CA -1.070 56.861 58.000 -0.116 0.000 0.953 224 F CB 1.878 40.754 39.000 -0.206 0.000 1.227 224 F HN -0.353 nan 8.300 nan 0.000 0.478 225 K N 1.228 121.820 120.400 0.319 0.000 2.328 225 K HA 0.594 4.328 4.320 -0.976 0.000 0.246 225 K C -3.208 173.500 176.600 0.182 0.000 0.955 225 K CA -2.094 54.311 56.287 0.198 0.000 0.817 225 K CB 2.219 34.763 32.500 0.074 0.000 1.208 225 K HN 0.140 nan 8.250 nan 0.000 0.432 226 P HA 0.032 nan 4.420 nan 0.000 0.284 226 P C -0.213 177.017 177.300 -0.117 0.000 1.343 226 P CA 0.055 63.017 63.100 -0.229 0.000 0.826 226 P CB 1.343 32.831 31.700 -0.353 0.000 0.956 227 E N 3.444 123.616 120.200 -0.046 0.000 2.216 227 E HA -0.100 3.665 4.350 -0.976 0.000 0.192 227 E C -0.271 176.321 176.600 -0.013 0.000 0.988 227 E CA 0.883 57.277 56.400 -0.010 0.000 0.834 227 E CB 0.286 30.003 29.700 0.029 0.000 0.772 227 E HN 0.375 nan 8.360 nan 0.000 0.479 228 N N -0.865 117.821 118.700 -0.024 0.000 2.406 228 N HA 0.186 4.340 4.740 -0.976 0.000 0.283 228 N C -1.975 173.541 175.510 0.010 0.000 1.074 228 N CA -0.448 52.602 53.050 0.001 0.000 0.916 228 N CB 2.115 40.609 38.487 0.013 0.000 1.639 228 N HN -0.253 nan 8.380 nan 0.000 0.485 229 V N 2.859 122.799 119.914 0.044 0.000 2.409 229 V HA 0.468 4.002 4.120 -0.976 0.000 0.291 229 V C -0.366 175.761 176.094 0.054 0.000 1.020 229 V CA -0.810 61.537 62.300 0.078 0.000 0.848 229 V CB 1.615 33.532 31.823 0.157 0.000 0.990 229 V HN 0.464 nan 8.190 nan 0.000 0.430 230 V N 4.631 124.573 119.914 0.048 0.000 2.348 230 V HA 0.520 4.055 4.120 -0.976 0.000 0.270 230 V C 0.891 177.001 176.094 0.028 0.000 1.037 230 V CA -0.609 61.713 62.300 0.037 0.000 0.872 230 V CB 1.309 33.157 31.823 0.040 0.000 1.002 230 V HN 1.017 nan 8.190 nan 0.000 0.464 231 A N 4.317 127.145 122.820 0.014 0.000 2.580 231 A HA 0.435 4.169 4.320 -0.976 0.000 0.244 231 A C 1.664 179.244 177.584 -0.006 0.000 1.045 231 A CA 0.890 52.922 52.037 -0.008 0.000 0.761 231 A CB -0.554 18.439 19.000 -0.012 0.000 0.962 231 A HN 2.154 nan 8.150 nan 0.000 0.512 232 G N 1.732 110.519 108.800 -0.022 0.000 2.245 232 G HA2 -0.286 3.088 3.960 -0.976 0.000 0.264 232 G HA3 -0.286 3.088 3.960 -0.976 0.000 0.264 232 G C 0.571 175.480 174.900 0.015 0.000 0.985 232 G CA 1.031 46.125 45.100 -0.010 0.000 0.625 232 G HN 0.795 nan 8.290 nan 0.000 0.536 233 E N -0.940 119.278 120.200 0.029 0.000 2.629 233 E HA 0.342 4.106 4.350 -0.976 0.000 0.197 233 E C 0.814 177.457 176.600 0.071 0.000 0.955 233 E CA 0.731 57.161 56.400 0.052 0.000 1.191 233 E CB 0.842 30.574 29.700 0.054 0.000 1.175 233 E HN 0.797 nan 8.360 nan 0.000 0.501 234 S N 0.174 115.917 115.700 0.071 0.000 2.565 234 S HA 0.634 4.518 4.470 -0.976 0.000 0.269 234 S C -1.144 173.498 174.600 0.070 0.000 1.153 234 S CA -0.922 57.331 58.200 0.089 0.000 0.835 234 S CB 1.457 64.716 63.200 0.098 0.000 1.122 234 S HN 0.130 nan 8.310 nan 0.000 0.462 235 I N 0.947 121.551 120.570 0.057 0.000 2.533 235 I HA 0.522 4.107 4.170 -0.976 0.000 0.290 235 I C -0.846 175.228 176.117 -0.072 0.000 1.056 235 I CA -0.759 60.507 61.300 -0.057 0.000 1.057 235 I CB 2.320 40.176 38.000 -0.240 0.000 1.240 235 I HN 0.680 nan 8.210 nan 0.000 0.423 236 K N 5.828 126.176 120.400 -0.086 0.000 2.264 236 K HA 0.402 4.136 4.320 -0.976 0.000 0.277 236 K C -1.732 174.825 176.600 -0.071 0.000 1.067 236 K CA -0.095 56.176 56.287 -0.027 0.000 0.900 236 K CB 0.361 32.873 32.500 0.020 0.000 1.124 236 K HN 0.375 nan 8.250 nan 0.000 0.469 237 Y N 3.438 123.758 120.300 0.034 0.000 2.323 237 Y HA 0.407 4.302 4.550 -1.092 0.000 0.331 237 Y C 0.225 176.214 175.900 0.148 0.000 1.092 237 Y CA -0.677 57.450 58.100 0.044 0.000 1.150 237 Y CB 1.579 39.949 38.460 -0.150 0.000 1.200 237 Y HN 0.404 nan 8.280 nan 0.000 0.472 238 V N 1.011 121.183 119.914 0.431 0.000 3.074 238 V HA 0.701 4.236 4.120 -0.976 0.000 0.314 238 V C -3.021 173.267 176.094 0.324 0.000 1.117 238 V CA -3.529 58.996 62.300 0.376 0.000 1.014 238 V CB 1.940 33.871 31.823 0.179 0.000 1.057 238 V HN 0.452 nan 8.190 nan 0.000 0.438 239 P HA 0.131 nan 4.420 nan 0.000 0.265 239 P C -0.850 176.366 177.300 -0.139 0.000 1.193 239 P CA 0.371 63.306 63.100 -0.275 0.000 0.765 239 P CB 0.121 31.675 31.700 -0.244 0.000 0.823 240 N N 4.861 123.451 118.700 -0.185 0.000 2.469 240 N HA 0.148 4.302 4.740 -0.976 0.000 0.239 240 N C -1.702 173.764 175.510 -0.073 0.000 1.053 240 N CA -2.403 50.619 53.050 -0.047 0.000 0.937 240 N CB 0.157 38.653 38.487 0.015 0.000 1.163 240 N HN 0.128 nan 8.380 nan 0.000 0.509 241 P HA -0.121 nan 4.420 nan 0.000 0.218 241 P C 0.094 177.168 177.300 -0.376 0.000 1.146 241 P CA 1.412 64.309 63.100 -0.339 0.000 0.813 241 P CB -0.021 31.330 31.700 -0.582 0.000 0.778 242 Y N -3.865 116.462 120.300 0.044 0.000 2.468 242 Y HA 0.149 4.110 4.550 -0.980 0.000 0.268 242 Y C 0.947 176.897 175.900 0.084 0.000 1.177 242 Y CA -0.967 57.166 58.100 0.056 0.000 1.265 242 Y CB -1.110 37.387 38.460 0.061 0.000 1.103 242 Y HN -0.113 nan 8.280 nan 0.000 0.522 243 Y N 2.196 122.509 120.300 0.022 0.000 2.810 243 Y HA -0.199 3.772 4.550 -0.965 0.000 0.332 243 Y C 1.408 177.261 175.900 -0.077 0.000 1.243 243 Y CA -0.763 57.288 58.100 -0.082 0.000 1.537 243 Y CB 0.416 38.743 38.460 -0.221 0.000 1.265 243 Y HN 0.414 nan 8.280 nan 0.000 0.572 244 W N 4.909 125.886 121.300 -0.539 0.000 2.465 244 W HA 0.129 4.201 4.660 -0.981 0.000 0.268 244 W C 0.418 176.614 176.519 -0.538 0.000 1.242 244 W CA 0.552 57.626 57.345 -0.451 0.000 1.248 244 W CB -1.027 28.212 29.460 -0.368 0.000 1.118 244 W HN 0.673 nan 8.180 nan 0.000 0.587 245 G N 1.266 108.968 108.800 -1.829 0.000 2.695 245 G HA2 0.204 3.578 3.960 -0.976 0.000 0.213 245 G HA3 0.204 3.578 3.960 -0.976 0.000 0.213 245 G C -0.671 173.968 174.900 -0.435 0.000 1.406 245 G CA -0.648 43.684 45.100 -1.280 0.000 1.049 245 G HN -0.165 nan 8.290 nan 0.000 0.573 246 E N 0.946 121.064 120.200 -0.137 0.000 2.290 246 E HA 0.151 3.915 4.350 -0.976 0.000 0.277 246 E C 0.259 176.885 176.600 0.044 0.000 1.035 246 E CA -0.216 56.178 56.400 -0.011 0.000 0.873 246 E CB 1.264 30.972 29.700 0.014 0.000 1.029 246 E HN 0.345 nan 8.360 nan 0.000 0.419 247 K N 4.390 124.788 120.400 -0.005 0.000 2.511 247 K HA 0.016 3.750 4.320 -0.976 0.000 0.280 247 K C -2.116 174.439 176.600 -0.075 0.000 1.008 247 K CA -1.037 55.221 56.287 -0.050 0.000 1.050 247 K CB 0.146 32.612 32.500 -0.056 0.000 0.889 247 K HN 0.182 nan 8.250 nan 0.000 0.484 248 P HA 0.043 nan 4.420 nan 0.000 0.272 248 P C -0.145 177.140 177.300 -0.025 0.000 1.223 248 P CA -0.144 62.883 63.100 -0.121 0.000 0.784 248 P CB 0.640 32.118 31.700 -0.370 0.000 0.923 249 K N 0.427 120.856 120.400 0.048 0.000 2.062 249 K HA 0.003 3.738 4.320 -0.976 0.000 0.205 249 K C 0.778 177.431 176.600 0.088 0.000 1.051 249 K CA 0.826 57.146 56.287 0.055 0.000 0.941 249 K CB -0.291 32.242 32.500 0.056 0.000 0.719 249 K HN 0.371 nan 8.250 nan 0.000 0.440 250 L N 1.758 123.087 121.223 0.177 0.000 2.436 250 L HA 0.032 3.786 4.340 -0.976 0.000 0.265 250 L C 1.191 178.195 176.870 0.224 0.000 1.168 250 L CA -0.494 54.473 54.840 0.212 0.000 0.815 250 L CB 0.547 42.776 42.059 0.282 0.000 1.109 250 L HN 0.065 nan 8.230 nan 0.000 0.462 251 N N -0.021 118.780 118.700 0.168 0.000 2.300 251 N HA -0.033 4.121 4.740 -0.976 0.000 0.179 251 N C 0.006 175.650 175.510 0.223 0.000 1.016 251 N CA 0.645 53.785 53.050 0.149 0.000 0.876 251 N CB 0.207 38.751 38.487 0.094 0.000 0.979 251 N HN 0.728 nan 8.380 nan 0.000 0.432 252 S N -1.068 114.768 115.700 0.226 0.000 2.587 252 S HA 0.640 4.524 4.470 -0.976 0.000 0.269 252 S C -1.156 173.466 174.600 0.037 0.000 1.154 252 S CA -0.982 57.334 58.200 0.194 0.000 0.824 252 S CB 1.482 64.763 63.200 0.135 0.000 1.118 252 S HN -0.020 nan 8.310 nan 0.000 0.462 253 I N 1.639 122.163 120.570 -0.077 0.000 2.533 253 I HA 0.503 4.087 4.170 -0.976 0.000 0.290 253 I C -0.467 175.675 176.117 0.042 0.000 1.056 253 I CA -0.637 60.584 61.300 -0.132 0.000 1.057 253 I CB 2.742 40.467 38.000 -0.459 0.000 1.240 253 I HN 0.904 nan 8.210 nan 0.000 0.423 254 T N 1.843 116.431 114.554 0.058 0.000 2.794 254 T HA 0.511 4.275 4.350 -0.976 0.000 0.280 254 T C -1.001 173.781 174.700 0.137 0.000 0.987 254 T CA -0.640 61.530 62.100 0.117 0.000 0.993 254 T CB 1.183 70.119 68.868 0.113 0.000 0.939 254 T HN 0.457 nan 8.240 nan 0.000 0.449 255 Y N 1.398 121.753 120.300 0.091 0.000 2.331 255 Y HA 0.468 4.519 4.550 -0.831 0.000 0.334 255 Y C -0.024 175.904 175.900 0.047 0.000 0.960 255 Y CA -0.800 57.341 58.100 0.068 0.000 1.130 255 Y CB 1.317 39.838 38.460 0.101 0.000 1.164 255 Y HN 0.765 nan 8.280 nan 0.000 0.458 256 E N 3.515 123.909 120.200 0.323 0.000 2.343 256 E HA 0.380 4.144 4.350 -0.976 0.000 0.270 256 E C -1.357 175.314 176.600 0.120 0.000 0.895 256 E CA -1.192 55.317 56.400 0.183 0.000 0.767 256 E CB 2.953 32.764 29.700 0.186 0.000 1.248 256 E HN 0.287 nan 8.360 nan 0.000 0.440 257 V N 1.963 121.939 119.914 0.103 0.000 2.614 257 V HA 0.159 3.693 4.120 -0.976 0.000 0.291 257 V C -0.074 176.057 176.094 0.061 0.000 1.049 257 V CA -0.171 62.182 62.300 0.089 0.000 1.038 257 V CB 1.202 33.073 31.823 0.081 0.000 0.980 257 V HN 0.379 nan 8.190 nan 0.000 0.481 258 V N 5.287 125.217 119.914 0.026 0.000 2.735 258 V HA 0.646 4.180 4.120 -0.976 0.000 0.310 258 V C 0.270 176.385 176.094 0.036 0.000 1.061 258 V CA -0.241 62.087 62.300 0.047 0.000 0.913 258 V CB 2.700 34.543 31.823 0.034 0.000 1.005 258 V HN 1.073 nan 8.190 nan 0.000 0.428 259 S N 3.199 118.928 115.700 0.048 0.000 2.593 259 S HA 0.149 4.033 4.470 -0.976 0.000 0.269 259 S C 1.455 176.063 174.600 0.014 0.000 1.334 259 S CA 0.331 58.549 58.200 0.030 0.000 1.015 259 S CB 1.244 64.463 63.200 0.032 0.000 0.912 259 S HN 1.306 nan 8.310 nan 0.000 0.541 260 T N -0.550 114.006 114.554 0.002 0.000 2.720 260 T HA -0.134 3.630 4.350 -0.976 0.000 0.268 260 T C 1.901 176.602 174.700 0.002 0.000 1.037 260 T CA 1.189 63.284 62.100 -0.008 0.000 1.144 260 T CB -1.094 67.766 68.868 -0.012 0.000 0.864 260 T HN 0.954 nan 8.240 nan 0.000 0.444 261 A N 1.493 124.317 122.820 0.008 0.000 2.119 261 A HA 0.111 3.846 4.320 -0.976 0.000 0.217 261 A C 2.212 179.805 177.584 0.015 0.000 1.153 261 A CA 1.023 53.065 52.037 0.009 0.000 0.692 261 A CB -0.368 18.637 19.000 0.009 0.000 0.799 261 A HN 0.630 nan 8.150 nan 0.000 0.458 262 K N -0.841 119.575 120.400 0.026 0.000 2.355 262 K HA 0.180 3.914 4.320 -0.976 0.000 0.198 262 K C 1.706 178.338 176.600 0.054 0.000 1.039 262 K CA 0.462 56.773 56.287 0.040 0.000 1.075 262 K CB 0.461 32.996 32.500 0.058 0.000 0.870 262 K HN 0.313 nan 8.250 nan 0.000 0.540 263 S N 0.900 116.624 115.700 0.039 0.000 2.348 263 S HA -0.127 3.757 4.470 -0.976 0.000 0.221 263 S C 2.025 176.635 174.600 0.017 0.000 1.033 263 S CA 1.221 59.444 58.200 0.039 0.000 1.010 263 S CB -0.134 63.062 63.200 -0.006 0.000 0.891 263 S HN 0.022 nan 8.310 nan 0.000 0.442 264 V N 2.199 122.110 119.914 -0.006 0.000 2.295 264 V HA -0.217 3.317 4.120 -0.976 0.000 0.246 264 V C 2.680 178.756 176.094 -0.030 0.000 1.049 264 V CA 1.736 64.017 62.300 -0.032 0.000 1.024 264 V CB -1.285 30.520 31.823 -0.030 0.000 0.648 264 V HN 0.548 nan 8.190 nan 0.000 0.447 265 A N -0.044 122.771 122.820 -0.009 0.000 1.978 265 A HA -0.167 3.567 4.320 -0.976 0.000 0.220 265 A C 2.384 179.965 177.584 -0.004 0.000 1.170 265 A CA 2.201 54.235 52.037 -0.006 0.000 0.636 265 A CB -0.717 18.284 19.000 0.001 0.000 0.810 265 A HN 0.606 nan 8.150 nan 0.000 0.448 266 A N -0.489 122.340 122.820 0.015 0.000 1.969 266 A HA 0.063 3.798 4.320 -0.976 0.000 0.218 266 A C 2.124 179.716 177.584 0.013 0.000 1.169 266 A CA 1.325 53.371 52.037 0.015 0.000 0.635 266 A CB -0.466 18.626 19.000 0.154 0.000 0.810 266 A HN 0.479 nan 8.150 nan 0.000 0.445 267 L N -0.693 120.515 121.223 -0.025 0.000 2.072 267 L HA -0.114 3.640 4.340 -0.976 0.000 0.205 267 L C 2.792 179.666 176.870 0.007 0.000 1.079 267 L CA 1.331 56.086 54.840 -0.142 0.000 0.752 267 L CB -0.484 41.311 42.059 -0.439 0.000 0.906 267 L HN 0.282 nan 8.230 nan 0.000 0.436 268 S N -0.125 115.571 115.700 -0.007 0.000 2.382 268 S HA -0.158 3.726 4.470 -0.976 0.000 0.228 268 S C 2.012 176.642 174.600 0.049 0.000 1.027 268 S CA 1.643 59.861 58.200 0.030 0.000 0.991 268 S CB -0.242 62.959 63.200 0.001 0.000 0.823 268 S HN 0.609 nan 8.310 nan 0.000 0.469 269 S N 0.354 116.070 115.700 0.027 0.000 2.575 269 S HA 0.210 4.094 4.470 -0.976 0.000 0.215 269 S C 0.631 175.242 174.600 0.019 0.000 0.966 269 S CA 0.343 58.550 58.200 0.011 0.000 0.911 269 S CB -0.184 63.003 63.200 -0.021 0.000 0.780 269 S HN 0.208 nan 8.310 nan 0.000 0.514 270 S N 0.970 116.720 115.700 0.083 0.000 3.587 270 S HA -0.200 3.684 4.470 -0.976 0.000 0.337 270 S C 0.908 175.507 174.600 -0.001 0.000 1.119 270 S CA 1.015 59.283 58.200 0.112 0.000 0.976 270 S CB -1.802 61.433 63.200 0.058 0.000 0.922 270 S HN 0.796 nan 8.310 nan 0.000 0.503 271 K N -0.432 119.898 120.400 -0.116 0.000 2.148 271 K HA -0.060 3.674 4.320 -0.976 0.000 0.204 271 K C -0.230 176.066 176.600 -0.507 0.000 1.050 271 K CA 1.176 57.243 56.287 -0.366 0.000 0.942 271 K CB 0.107 32.262 32.500 -0.575 0.000 0.724 271 K HN 0.508 nan 8.250 nan 0.000 0.446 272 Y N 0.201 120.552 120.300 0.085 0.000 2.425 272 Y HA 0.180 4.151 4.550 -0.965 0.000 0.344 272 Y C 0.437 176.422 175.900 0.142 0.000 0.969 272 Y CA -1.420 56.727 58.100 0.078 0.000 1.052 272 Y CB 1.891 40.379 38.460 0.046 0.000 1.215 272 Y HN -0.079 nan 8.280 nan 0.000 0.451 273 D N 1.780 122.336 120.400 0.259 0.000 2.162 273 D HA 0.068 4.122 4.640 -0.976 0.000 0.203 273 D C 0.077 176.513 176.300 0.226 0.000 0.967 273 D CA 1.653 55.767 54.000 0.190 0.000 0.840 273 D CB 0.739 41.599 40.800 0.100 0.000 0.972 273 D HN 0.372 nan 8.370 nan 0.000 0.482 274 I N 0.876 121.542 120.570 0.161 0.000 2.569 274 I HA 0.300 3.884 4.170 -0.976 0.000 0.290 274 I C -0.821 175.297 176.117 0.003 0.000 1.088 274 I CA -0.581 60.767 61.300 0.081 0.000 1.047 274 I CB 2.950 40.958 38.000 0.013 0.000 1.237 274 I HN -0.317 nan 8.210 nan 0.000 0.421 275 I N 5.449 125.999 120.570 -0.032 0.000 2.418 275 I HA 0.360 3.945 4.170 -0.976 0.000 0.287 275 I C -0.563 175.454 176.117 -0.166 0.000 1.008 275 I CA -0.650 60.574 61.300 -0.127 0.000 1.104 275 I CB 1.468 39.391 38.000 -0.129 0.000 1.264 275 I HN 0.498 nan 8.210 nan 0.000 0.438 276 N N 3.884 122.478 118.700 -0.177 0.000 2.492 276 N HA 0.391 4.545 4.740 -0.976 0.000 0.289 276 N C 0.824 175.968 175.510 -0.610 0.000 1.133 276 N CA 0.292 53.196 53.050 -0.244 0.000 0.961 276 N CB 1.932 40.441 38.487 0.037 0.000 1.186 276 N HN 0.926 nan 8.380 nan 0.000 0.493 277 G N 0.640 109.097 108.800 -0.572 0.000 2.143 277 G HA2 -0.267 3.107 3.960 -0.976 0.000 0.248 277 G HA3 -0.267 3.107 3.960 -0.976 0.000 0.248 277 G C 0.144 174.749 174.900 -0.492 0.000 0.991 277 G CA -0.091 44.620 45.100 -0.648 0.000 0.689 277 G HN 0.473 nan 8.290 nan 0.000 0.522 278 M N 0.606 119.907 119.600 -0.499 0.000 2.245 278 M HA 0.398 4.292 4.480 -0.976 0.000 0.344 278 M C 1.284 177.386 176.300 -0.331 0.000 1.170 278 M CA -0.083 54.980 55.300 -0.395 0.000 1.135 278 M CB 1.039 33.394 32.600 -0.408 0.000 1.574 278 M HN 0.403 nan 8.290 nan 0.000 0.452 279 V N 0.448 120.307 119.914 -0.093 0.000 2.904 279 V HA 0.294 3.829 4.120 -0.976 0.000 0.305 279 V C 0.927 177.133 176.094 0.188 0.000 1.067 279 V CA -0.531 61.766 62.300 -0.005 0.000 1.044 279 V CB 1.293 33.105 31.823 -0.018 0.000 1.050 279 V HN 0.961 nan 8.190 nan 0.000 0.475 280 S N 1.904 117.695 115.700 0.151 0.000 2.383 280 S HA -0.186 3.699 4.470 -0.976 0.000 0.229 280 S C 2.060 176.757 174.600 0.161 0.000 1.030 280 S CA 1.852 60.169 58.200 0.195 0.000 1.002 280 S CB -0.547 62.692 63.200 0.064 0.000 0.829 280 S HN 1.221 nan 8.310 nan 0.000 0.467 281 S N 1.746 117.508 115.700 0.103 0.000 2.399 281 S HA -0.155 3.730 4.470 -0.976 0.000 0.231 281 S C 1.617 176.267 174.600 0.083 0.000 1.022 281 S CA 0.880 59.126 58.200 0.075 0.000 0.983 281 S CB -0.471 62.751 63.200 0.036 0.000 0.803 281 S HN 0.560 nan 8.310 nan 0.000 0.480 282 Q N -0.658 119.216 119.800 0.123 0.000 2.451 282 Q HA 0.115 3.870 4.340 -0.976 0.000 0.206 282 Q C 1.467 177.496 176.000 0.049 0.000 0.947 282 Q CA 0.463 56.323 55.803 0.096 0.000 0.937 282 Q CB -0.278 28.537 28.738 0.128 0.000 1.025 282 Q HN 0.784 nan 8.270 nan 0.000 0.511 283 Y N 2.581 122.808 120.300 -0.123 0.000 2.181 283 Y HA -0.298 3.666 4.550 -0.978 0.000 0.288 283 Y C 2.073 177.843 175.900 -0.217 0.000 1.146 283 Y CA 1.994 59.847 58.100 -0.412 0.000 1.164 283 Y CB -0.005 38.093 38.460 -0.603 0.000 0.982 283 Y HN 0.013 nan 8.280 nan 0.000 0.515 284 K N -0.178 120.058 120.400 -0.273 0.000 2.209 284 K HA -0.227 3.507 4.320 -0.976 0.000 0.204 284 K C 1.692 178.134 176.600 -0.262 0.000 1.048 284 K CA 1.981 58.093 56.287 -0.292 0.000 0.940 284 K CB -0.481 31.960 32.500 -0.098 0.000 0.729 284 K HN 0.460 nan 8.250 nan 0.000 0.451 285 Q N 0.736 120.423 119.800 -0.189 0.000 2.311 285 Q HA 0.001 3.755 4.340 -0.976 0.000 0.203 285 Q C 1.946 177.842 176.000 -0.172 0.000 0.954 285 Q CA 0.846 56.565 55.803 -0.140 0.000 0.885 285 Q CB 0.328 29.019 28.738 -0.079 0.000 0.963 285 Q HN 0.157 nan 8.270 nan 0.000 0.471 286 V N 0.379 120.144 119.914 -0.248 0.000 2.575 286 V HA -0.133 3.401 4.120 -0.976 0.000 0.242 286 V C 2.054 177.978 176.094 -0.285 0.000 1.045 286 V CA 1.284 63.449 62.300 -0.225 0.000 1.065 286 V CB -0.263 31.486 31.823 -0.122 0.000 0.717 286 V HN 0.185 nan 8.190 nan 0.000 0.467 287 K N 2.989 123.067 120.400 -0.536 0.000 2.077 287 K HA -0.267 3.467 4.320 -0.976 0.000 0.213 287 K C 1.634 178.103 176.600 -0.218 0.000 1.051 287 K CA 2.585 58.588 56.287 -0.474 0.000 0.929 287 K CB -0.591 31.497 32.500 -0.686 0.000 0.715 287 K HN 0.677 nan 8.250 nan 0.000 0.451 288 N N 0.646 119.231 118.700 -0.190 0.000 2.467 288 N HA -0.070 4.084 4.740 -0.976 0.000 0.184 288 N C -0.034 175.439 175.510 -0.062 0.000 1.106 288 N CA 0.242 53.226 53.050 -0.110 0.000 0.892 288 N CB -0.318 38.108 38.487 -0.102 0.000 0.969 288 N HN 0.233 nan 8.380 nan 0.000 0.454 289 L N 1.355 122.545 121.223 -0.055 0.000 2.500 289 L HA 0.091 3.846 4.340 -0.976 0.000 0.272 289 L C 0.730 177.643 176.870 0.071 0.000 1.149 289 L CA -0.258 54.587 54.840 0.008 0.000 0.897 289 L CB 0.215 42.266 42.059 -0.013 0.000 1.178 289 L HN -0.067 nan 8.230 nan 0.000 0.473 290 K N 1.942 122.375 120.400 0.054 0.000 2.355 290 K HA 0.334 4.068 4.320 -0.976 0.000 0.270 290 K C 0.938 177.585 176.600 0.078 0.000 1.003 290 K CA 1.091 57.403 56.287 0.042 0.000 0.957 290 K CB 0.755 33.263 32.500 0.014 0.000 0.939 290 K HN 0.685 nan 8.250 nan 0.000 0.482 291 G N 1.264 110.060 108.800 -0.006 0.000 2.194 291 G HA2 -0.254 3.120 3.960 -0.976 0.000 0.236 291 G HA3 -0.254 3.120 3.960 -0.976 0.000 0.236 291 G C -0.617 174.060 174.900 -0.371 0.000 0.987 291 G CA 0.073 45.089 45.100 -0.140 0.000 0.635 291 G HN 0.473 nan 8.290 nan 0.000 0.520 292 Y N -0.191 120.058 120.300 -0.086 0.000 2.485 292 Y HA 0.693 4.655 4.550 -0.979 0.000 0.345 292 Y C 0.214 176.011 175.900 -0.172 0.000 0.998 292 Y CA -1.118 56.913 58.100 -0.117 0.000 1.059 292 Y CB 2.018 40.443 38.460 -0.059 0.000 1.234 292 Y HN 0.056 nan 8.280 nan 0.000 0.461 293 K N 1.734 122.042 120.400 -0.154 0.000 2.213 293 K HA 0.587 4.322 4.320 -0.976 0.000 0.270 293 K C -1.778 174.822 176.600 0.000 0.000 1.002 293 K CA -0.459 55.709 56.287 -0.197 0.000 0.868 293 K CB 0.938 33.060 32.500 -0.630 0.000 1.093 293 K HN 0.450 nan 8.250 nan 0.000 0.454 294 V N 6.603 126.581 119.914 0.106 0.000 2.364 294 V HA 0.337 3.872 4.120 -0.976 0.000 0.272 294 V C 0.054 176.313 176.094 0.274 0.000 1.036 294 V CA -0.739 61.697 62.300 0.227 0.000 0.880 294 V CB 0.588 32.614 31.823 0.339 0.000 0.991 294 V HN 0.665 nan 8.190 nan 0.000 0.460 295 L N 4.225 125.553 121.223 0.176 0.000 2.379 295 L HA 0.837 4.591 4.340 -0.976 0.000 0.269 295 L C 0.763 177.607 176.870 -0.045 0.000 1.084 295 L CA -0.159 54.750 54.840 0.115 0.000 0.802 295 L CB 1.465 43.547 42.059 0.037 0.000 1.175 295 L HN 0.738 nan 8.230 nan 0.000 0.448 296 G N 0.868 109.598 108.800 -0.116 0.000 2.574 296 G HA2 0.614 3.988 3.960 -0.976 0.000 0.299 296 G HA3 0.614 3.988 3.960 -0.976 0.000 0.299 296 G C -1.794 172.969 174.900 -0.228 0.000 1.298 296 G CA -0.211 44.599 45.100 -0.483 0.000 0.952 296 G HN 0.407 nan 8.290 nan 0.000 0.477 297 Q N -0.341 119.311 119.800 -0.247 0.000 2.391 297 Q HA 0.338 4.092 4.340 -0.976 0.000 0.279 297 Q C -0.945 175.011 176.000 -0.075 0.000 1.028 297 Q CA -0.570 55.133 55.803 -0.167 0.000 0.836 297 Q CB 1.624 30.194 28.738 -0.281 0.000 1.414 297 Q HN 0.587 nan 8.270 nan 0.000 0.397 298 Q N 1.504 121.308 119.800 0.007 0.000 2.289 298 Q HA 0.510 4.264 4.340 -0.976 0.000 0.273 298 Q C -0.506 175.585 176.000 0.153 0.000 1.029 298 Q CA 0.322 56.164 55.803 0.065 0.000 0.896 298 Q CB 0.876 29.640 28.738 0.043 0.000 1.182 298 Q HN 0.640 nan 8.270 nan 0.000 0.385 299 A N 3.509 126.399 122.820 0.118 0.000 2.304 299 A HA 0.343 4.077 4.320 -0.976 0.000 0.271 299 A C 0.075 177.754 177.584 0.158 0.000 1.091 299 A CA -0.440 51.691 52.037 0.156 0.000 0.812 299 A CB 0.456 19.520 19.000 0.107 0.000 1.056 299 A HN 0.830 nan 8.150 nan 0.000 0.489 300 M N 2.104 121.792 119.600 0.146 0.000 3.396 300 M HA 0.247 4.141 4.480 -0.976 0.000 0.255 300 M C -1.177 175.297 176.300 0.290 0.000 1.398 300 M CA 0.459 55.837 55.300 0.129 0.000 1.554 300 M CB -0.720 31.863 32.600 -0.027 0.000 1.070 300 M HN 0.687 nan 8.290 nan 0.000 0.587 301 Y N 1.621 122.036 120.300 0.192 0.000 2.513 301 Y HA 0.665 4.628 4.550 -0.978 0.000 0.340 301 Y C -2.061 174.031 175.900 0.320 0.000 1.055 301 Y CA -1.388 56.852 58.100 0.234 0.000 1.020 301 Y CB 1.508 40.079 38.460 0.184 0.000 1.301 301 Y HN 0.402 nan 8.280 nan 0.000 0.453 302 I N 4.924 125.362 120.570 -0.221 0.000 2.644 302 I HA 0.583 4.167 4.170 -0.976 0.000 0.291 302 I C -1.470 174.434 176.117 -0.355 0.000 1.180 302 I CA -0.182 61.097 61.300 -0.034 0.000 1.040 302 I CB 2.078 40.226 38.000 0.247 0.000 1.255 302 I HN 0.633 nan 8.210 nan 0.000 0.422 303 S N 7.840 123.446 115.700 -0.156 0.000 2.537 303 S HA 0.984 4.868 4.470 -0.976 0.000 0.301 303 S C -0.771 173.863 174.600 0.058 0.000 1.092 303 S CA -0.617 57.558 58.200 -0.041 0.000 1.048 303 S CB 1.618 64.876 63.200 0.096 0.000 1.053 303 S HN 0.984 nan 8.310 nan 0.000 0.501 304 L N -0.573 120.702 121.223 0.088 0.000 2.622 304 L HA 0.669 4.423 4.340 -0.976 0.000 0.258 304 L C -1.016 175.870 176.870 0.026 0.000 0.996 304 L CA -1.174 53.673 54.840 0.011 0.000 0.858 304 L CB 2.043 44.079 42.059 -0.038 0.000 1.449 304 L HN 0.813 nan 8.230 nan 0.000 0.411 305 M N 1.829 121.367 119.600 -0.104 0.000 2.209 305 M HA 0.526 4.420 4.480 -0.976 0.000 0.355 305 M C -1.804 174.359 176.300 -0.228 0.000 1.171 305 M CA -0.266 54.984 55.300 -0.083 0.000 1.069 305 M CB 0.974 33.452 32.600 -0.203 0.000 1.622 305 M HN 0.640 nan 8.290 nan 0.000 0.459 306 Y N 3.204 123.515 120.300 0.017 0.000 2.420 306 Y HA 0.476 4.440 4.550 -0.977 0.000 0.334 306 Y C -1.158 174.820 175.900 0.131 0.000 1.094 306 Y CA -0.493 57.688 58.100 0.134 0.000 1.126 306 Y CB 1.327 40.054 38.460 0.445 0.000 1.217 306 Y HN 0.474 nan 8.280 nan 0.000 0.462 307 Y N 0.964 121.531 120.300 0.444 0.000 2.377 307 Y HA 0.251 4.216 4.550 -0.975 0.000 0.339 307 Y C -0.032 175.974 175.900 0.176 0.000 1.011 307 Y CA -1.828 56.428 58.100 0.260 0.000 1.093 307 Y CB 1.093 39.619 38.460 0.110 0.000 1.201 307 Y HN 0.506 nan 8.280 nan 0.000 0.455 308 N N 3.216 121.900 118.700 -0.025 0.000 2.406 308 N HA 0.252 4.406 4.740 -0.976 0.000 0.251 308 N C -0.435 175.002 175.510 -0.122 0.000 1.069 308 N CA 0.208 53.000 53.050 -0.431 0.000 0.947 308 N CB 0.291 37.919 38.487 -1.433 0.000 1.111 308 N HN 0.757 nan 8.380 nan 0.000 0.497 309 L N 1.715 122.971 121.223 0.054 0.000 3.086 309 L HA 0.504 4.258 4.340 -0.976 0.000 0.274 309 L C 1.050 177.992 176.870 0.120 0.000 1.184 309 L CA -0.245 54.655 54.840 0.100 0.000 1.002 309 L CB 0.356 42.513 42.059 0.163 0.000 1.383 309 L HN 0.633 nan 8.230 nan 0.000 0.582 310 G N -0.856 108.050 108.800 0.178 0.000 2.485 310 G HA2 0.256 3.630 3.960 -0.976 0.000 0.182 310 G HA3 0.256 3.630 3.960 -0.976 0.000 0.182 310 G C -1.761 173.220 174.900 0.136 0.000 1.172 310 G CA -0.299 44.898 45.100 0.161 0.000 0.996 310 G HN 0.107 nan 8.290 nan 0.000 0.496 311 H N -1.420 117.534 119.070 -0.194 0.000 3.008 311 H HA 0.634 4.605 4.556 -0.976 0.000 0.354 311 H C -2.221 172.791 175.328 -0.527 0.000 1.252 311 H CA -0.825 54.904 56.048 -0.532 0.000 1.117 311 H CB 1.768 31.396 29.762 -0.223 0.000 1.857 311 H HN 0.600 nan 8.280 nan 0.000 0.547 312 Y N 1.598 121.523 120.300 -0.625 0.000 2.331 312 Y HA 0.219 4.183 4.550 -0.975 0.000 0.338 312 Y C -0.550 175.301 175.900 -0.082 0.000 0.992 312 Y CA -0.789 57.127 58.100 -0.307 0.000 1.121 312 Y CB 1.278 39.682 38.460 -0.093 0.000 1.184 312 Y HN 0.697 nan 8.280 nan 0.000 0.469 313 D N 5.047 125.056 120.400 -0.652 0.000 2.441 313 D HA 0.288 4.342 4.640 -0.976 0.000 0.221 313 D C 0.578 176.452 176.300 -0.710 0.000 1.156 313 D CA 0.309 54.042 54.000 -0.445 0.000 0.896 313 D CB 1.227 41.864 40.800 -0.272 0.000 1.028 313 D HN 0.782 nan 8.370 nan 0.000 0.509 314 A N 4.873 127.434 122.820 -0.431 0.000 1.898 314 A HA -0.150 3.584 4.320 -0.976 0.000 0.216 314 A C 2.016 179.510 177.584 -0.150 0.000 1.181 314 A CA 1.233 53.125 52.037 -0.241 0.000 0.620 314 A CB -0.303 18.723 19.000 0.043 0.000 0.819 314 A HN 0.589 nan 8.150 nan 0.000 0.442 315 K N -0.347 119.984 120.400 -0.115 0.000 2.063 315 K HA -0.153 3.582 4.320 -0.976 0.000 0.208 315 K C 0.768 177.318 176.600 -0.085 0.000 1.048 315 K CA 1.666 57.911 56.287 -0.071 0.000 0.928 315 K CB -0.153 32.315 32.500 -0.053 0.000 0.713 315 K HN 0.426 nan 8.250 nan 0.000 0.442 316 N N 0.550 119.170 118.700 -0.132 0.000 2.270 316 N HA 0.022 4.176 4.740 -0.976 0.000 0.198 316 N C -0.764 174.659 175.510 -0.145 0.000 1.117 316 N CA 0.305 53.285 53.050 -0.116 0.000 0.845 316 N CB 0.855 39.277 38.487 -0.107 0.000 0.980 316 N HN 0.022 nan 8.380 nan 0.000 0.486 317 S N 0.932 116.507 115.700 -0.208 0.000 3.524 317 S HA -0.214 3.671 4.470 -0.976 0.000 0.377 317 S C -0.277 174.234 174.600 -0.149 0.000 0.949 317 S CA 0.381 58.485 58.200 -0.159 0.000 1.264 317 S CB -1.222 61.981 63.200 0.004 0.000 0.918 317 S HN 0.467 nan 8.310 nan 0.000 0.517 318 I N 1.099 121.447 120.570 -0.370 0.000 2.722 318 I HA 0.358 3.942 4.170 -0.976 0.000 0.292 318 I C -0.830 175.153 176.117 -0.224 0.000 1.267 318 I CA -0.579 60.614 61.300 -0.179 0.000 1.036 318 I CB 1.543 39.461 38.000 -0.137 0.000 1.281 318 I HN 0.173 nan 8.210 nan 0.000 0.423 319 N N 5.641 124.342 118.700 0.001 0.000 2.488 319 N HA 0.420 4.574 4.740 -0.976 0.000 0.274 319 N C -1.192 174.229 175.510 -0.150 0.000 1.111 319 N CA -0.139 52.909 53.050 -0.004 0.000 0.974 319 N CB 1.879 40.419 38.487 0.088 0.000 1.089 319 N HN 0.279 nan 8.380 nan 0.000 0.465 320 V N 2.403 122.139 119.914 -0.297 0.000 2.407 320 V HA 0.172 3.706 4.120 -0.976 0.000 0.291 320 V C 0.410 176.426 176.094 -0.131 0.000 1.018 320 V CA -0.707 61.441 62.300 -0.253 0.000 0.842 320 V CB 1.680 33.270 31.823 -0.387 0.000 0.996 320 V HN 0.600 nan 8.190 nan 0.000 0.426 321 Q N 3.488 123.271 119.800 -0.029 0.000 3.181 321 Q HA 0.117 3.871 4.340 -0.976 0.000 0.293 321 Q C 0.014 176.045 176.000 0.052 0.000 1.406 321 Q CA -0.176 55.645 55.803 0.031 0.000 1.026 321 Q CB 0.177 28.930 28.738 0.025 0.000 1.630 321 Q HN 0.941 nan 8.270 nan 0.000 0.553 322 D N 0.450 120.896 120.400 0.076 0.000 2.538 322 D HA 0.038 4.093 4.640 -0.976 0.000 0.231 322 D C -0.041 176.305 176.300 0.077 0.000 1.229 322 D CA -0.413 53.638 54.000 0.084 0.000 0.828 322 D CB 0.085 40.952 40.800 0.111 0.000 1.035 322 D HN 0.184 nan 8.370 nan 0.000 0.495 323 R N 1.142 121.682 120.500 0.068 0.000 2.308 323 R HA 0.239 3.993 4.340 -0.976 0.000 0.305 323 R C -0.253 176.062 176.300 0.025 0.000 1.053 323 R CA -0.531 55.591 56.100 0.038 0.000 0.957 323 R CB 0.698 31.008 30.300 0.017 0.000 1.022 323 R HN -0.172 nan 8.270 nan 0.000 0.461 324 K N 2.720 123.130 120.400 0.017 0.000 2.378 324 K HA 0.074 3.808 4.320 -0.976 0.000 0.288 324 K C -0.519 176.087 176.600 0.010 0.000 1.057 324 K CA 0.457 56.756 56.287 0.020 0.000 0.971 324 K CB 1.114 33.626 32.500 0.019 0.000 0.975 324 K HN 0.583 nan 8.250 nan 0.000 0.475 325 T N 2.436 117.000 114.554 0.018 0.000 3.128 325 T HA 0.195 3.959 4.350 -0.976 0.000 0.363 325 T C -2.463 172.246 174.700 0.015 0.000 1.610 325 T CA -1.322 60.776 62.100 -0.003 0.000 1.126 325 T CB 1.122 69.961 68.868 -0.049 0.000 1.416 325 T HN 0.178 nan 8.240 nan 0.000 0.480 326 P HA 0.097 nan 4.420 nan 0.000 0.221 326 P C 1.499 178.744 177.300 -0.091 0.000 1.145 326 P CA 0.703 63.821 63.100 0.030 0.000 0.795 326 P CB 0.031 31.638 31.700 -0.156 0.000 0.775 327 L N -0.876 120.248 121.223 -0.164 0.000 2.549 327 L HA -0.122 3.632 4.340 -0.976 0.000 0.229 327 L C 2.222 179.027 176.870 -0.108 0.000 1.158 327 L CA 0.782 55.475 54.840 -0.246 0.000 0.842 327 L CB -0.704 41.171 42.059 -0.306 0.000 0.952 327 L HN -0.011 nan 8.230 nan 0.000 0.452 328 Q N -0.180 119.610 119.800 -0.016 0.000 2.364 328 Q HA -0.050 3.705 4.340 -0.976 0.000 0.207 328 Q C 0.017 176.048 176.000 0.051 0.000 0.970 328 Q CA 0.777 56.610 55.803 0.049 0.000 0.888 328 Q CB -0.197 28.578 28.738 0.062 0.000 0.951 328 Q HN 0.472 nan 8.270 nan 0.000 0.469 329 D N 0.981 121.396 120.400 0.026 0.000 2.325 329 D HA -0.007 4.047 4.640 -0.976 0.000 0.251 329 D C 0.985 177.273 176.300 -0.020 0.000 1.196 329 D CA 0.030 54.054 54.000 0.039 0.000 0.866 329 D CB 1.261 42.125 40.800 0.107 0.000 1.101 329 D HN 0.141 nan 8.370 nan 0.000 0.476 330 Q N 3.035 122.829 119.800 -0.011 0.000 2.112 330 Q HA -0.244 3.510 4.340 -0.976 0.000 0.206 330 Q C 0.912 176.889 176.000 -0.038 0.000 0.987 330 Q CA 1.533 57.303 55.803 -0.054 0.000 0.858 330 Q CB 0.181 28.889 28.738 -0.051 0.000 0.905 330 Q HN 0.296 nan 8.270 nan 0.000 0.420 331 N N -0.382 118.323 118.700 0.009 0.000 2.149 331 N HA -0.149 4.005 4.740 -0.976 0.000 0.188 331 N C 1.631 177.138 175.510 -0.004 0.000 1.019 331 N CA 1.442 54.515 53.050 0.038 0.000 0.857 331 N CB -0.264 38.270 38.487 0.078 0.000 0.997 331 N HN 0.097 nan 8.380 nan 0.000 0.426 332 V N 1.031 120.901 119.914 -0.073 0.000 2.358 332 V HA -0.151 3.384 4.120 -0.976 0.000 0.246 332 V C 2.197 178.114 176.094 -0.295 0.000 1.047 332 V CA 1.426 63.601 62.300 -0.208 0.000 1.035 332 V CB -0.346 31.298 31.823 -0.299 0.000 0.658 332 V HN 0.288 nan 8.190 nan 0.000 0.452 333 R N -0.154 120.141 120.500 -0.341 0.000 2.091 333 R HA -0.206 3.548 4.340 -0.976 0.000 0.238 333 R C 2.402 178.575 176.300 -0.211 0.000 1.136 333 R CA 1.758 57.568 56.100 -0.484 0.000 0.959 333 R CB -0.396 29.688 30.300 -0.360 0.000 0.856 333 R HN 0.601 nan 8.270 nan 0.000 0.437 334 Q N 0.150 119.892 119.800 -0.097 0.000 2.084 334 Q HA -0.095 3.659 4.340 -0.976 0.000 0.202 334 Q C 2.269 178.347 176.000 0.130 0.000 0.978 334 Q CA 1.508 57.325 55.803 0.022 0.000 0.844 334 Q CB -0.159 28.715 28.738 0.227 0.000 0.898 334 Q HN 0.370 nan 8.270 nan 0.000 0.426 335 A N 1.082 123.984 122.820 0.138 0.000 1.902 335 A HA -0.182 3.552 4.320 -0.976 0.000 0.217 335 A C 2.005 179.682 177.584 0.155 0.000 1.181 335 A CA 1.147 53.298 52.037 0.189 0.000 0.623 335 A CB -0.544 18.508 19.000 0.088 0.000 0.818 335 A HN 0.273 nan 8.150 nan 0.000 0.443 336 I N -0.129 120.451 120.570 0.015 0.000 2.361 336 I HA -0.187 3.397 4.170 -0.976 0.000 0.251 336 I C 2.593 178.854 176.117 0.240 0.000 1.133 336 I CA 1.517 62.850 61.300 0.055 0.000 1.413 336 I CB -1.759 36.093 38.000 -0.246 0.000 1.073 336 I HN 0.383 nan 8.210 nan 0.000 0.424 337 G N -0.281 108.518 108.800 -0.002 0.000 2.404 337 G HA2 -0.259 3.116 3.960 -0.976 0.000 0.215 337 G HA3 -0.259 3.116 3.960 -0.976 0.000 0.215 337 G C 1.536 176.462 174.900 0.043 0.000 1.174 337 G CA 0.299 45.267 45.100 -0.220 0.000 0.780 337 G HN 0.251 nan 8.290 nan 0.000 0.537 338 Y N 1.320 121.785 120.300 0.274 0.000 2.421 338 Y HA 0.133 4.098 4.550 -0.976 0.000 0.292 338 Y C 2.987 178.982 175.900 0.158 0.000 1.136 338 Y CA 0.292 58.547 58.100 0.258 0.000 1.255 338 Y CB -0.282 38.301 38.460 0.206 0.000 0.991 338 Y HN 0.268 nan 8.280 nan 0.000 0.552 339 A N 0.106 123.112 122.820 0.310 0.000 2.014 339 A HA -0.065 3.670 4.320 -0.976 0.000 0.218 339 A C 1.466 179.092 177.584 0.070 0.000 1.163 339 A CA 0.258 52.426 52.037 0.219 0.000 0.652 339 A CB -0.348 18.855 19.000 0.339 0.000 0.808 339 A HN 0.201 nan 8.150 nan 0.000 0.449 340 R N 0.977 121.487 120.500 0.017 0.000 2.694 340 R HA 0.098 3.852 4.340 -0.976 0.000 0.268 340 R C -0.542 175.785 176.300 0.045 0.000 1.061 340 R CA 0.293 56.317 56.100 -0.126 0.000 1.133 340 R CB 0.137 30.217 30.300 -0.366 0.000 1.020 340 R HN 0.585 nan 8.270 nan 0.000 0.475 341 N N 1.462 120.256 118.700 0.156 0.000 2.914 341 N HA 0.033 4.187 4.740 -0.976 0.000 0.304 341 N C 0.496 176.125 175.510 0.198 0.000 1.727 341 N CA -0.203 52.931 53.050 0.140 0.000 0.986 341 N CB 0.698 39.234 38.487 0.082 0.000 1.297 341 N HN 0.208 nan 8.380 nan 0.000 0.490 342 V N 0.659 120.684 119.914 0.185 0.000 2.295 342 V HA -0.248 3.286 4.120 -0.976 0.000 0.246 342 V C 2.620 178.787 176.094 0.122 0.000 1.049 342 V CA 2.339 64.754 62.300 0.192 0.000 1.024 342 V CB -0.909 30.975 31.823 0.102 0.000 0.648 342 V HN 0.598 nan 8.190 nan 0.000 0.447 343 A N -0.180 122.686 122.820 0.077 0.000 1.883 343 A HA -0.314 3.420 4.320 -0.976 0.000 0.217 343 A C 2.300 179.902 177.584 0.031 0.000 1.186 343 A CA 2.256 54.322 52.037 0.048 0.000 0.624 343 A CB -0.559 18.463 19.000 0.036 0.000 0.822 343 A HN 0.666 nan 8.150 nan 0.000 0.444 344 E N -0.326 119.890 120.200 0.027 0.000 2.047 344 E HA -0.128 3.636 4.350 -0.976 0.000 0.191 344 E C 1.877 178.451 176.600 -0.043 0.000 0.987 344 E CA 1.396 57.787 56.400 -0.016 0.000 0.799 344 E CB -0.207 29.486 29.700 -0.011 0.000 0.752 344 E HN 0.263 nan 8.360 nan 0.000 0.449 345 V N 1.988 121.916 119.914 0.025 0.000 2.250 345 V HA -0.317 3.217 4.120 -0.976 0.000 0.250 345 V C 1.928 178.095 176.094 0.122 0.000 1.060 345 V CA 2.350 64.710 62.300 0.101 0.000 1.030 345 V CB -0.598 31.297 31.823 0.119 0.000 0.643 345 V HN 0.363 nan 8.190 nan 0.000 0.445 346 D N -0.141 120.316 120.400 0.095 0.000 2.117 346 D HA -0.128 3.927 4.640 -0.976 0.000 0.197 346 D C 2.059 178.371 176.300 0.019 0.000 0.987 346 D CA 1.132 55.183 54.000 0.085 0.000 0.829 346 D CB -0.472 40.370 40.800 0.071 0.000 0.961 346 D HN 0.397 nan 8.370 nan 0.000 0.460 347 N N 0.696 119.377 118.700 -0.032 0.000 2.188 347 N HA -0.087 4.067 4.740 -0.976 0.000 0.184 347 N C 1.630 177.048 175.510 -0.153 0.000 1.018 347 N CA 0.685 53.693 53.050 -0.070 0.000 0.858 347 N CB -0.033 38.414 38.487 -0.066 0.000 0.989 347 N HN 0.270 nan 8.380 nan 0.000 0.426 348 K N -0.657 119.559 120.400 -0.307 0.000 2.062 348 K HA 0.006 3.740 4.320 -0.976 0.000 0.205 348 K C 0.954 177.227 176.600 -0.545 0.000 1.051 348 K CA 1.047 56.969 56.287 -0.608 0.000 0.941 348 K CB -0.005 31.754 32.500 -1.235 0.000 0.719 348 K HN 0.132 nan 8.250 nan 0.000 0.440 349 F N -0.917 119.023 119.950 -0.016 0.000 2.712 349 F HA 0.079 4.020 4.527 -0.977 0.000 0.297 349 F C 2.154 177.952 175.800 -0.002 0.000 1.114 349 F CA 0.083 58.075 58.000 -0.014 0.000 1.305 349 F CB 0.204 39.187 39.000 -0.027 0.000 1.086 349 F HN -0.075 nan 8.300 nan 0.000 0.599 350 S N -1.095 114.692 115.700 0.145 0.000 2.517 350 S HA 0.050 3.935 4.470 -0.976 0.000 0.214 350 S C 0.705 175.335 174.600 0.051 0.000 0.991 350 S CA 0.069 58.327 58.200 0.096 0.000 0.906 350 S CB -0.453 62.794 63.200 0.079 0.000 0.789 350 S HN 0.349 nan 8.310 nan 0.000 0.513 351 N N 1.449 120.180 118.700 0.052 0.000 2.725 351 N HA -0.178 3.976 4.740 -0.976 0.000 0.249 351 N C 0.812 176.306 175.510 -0.027 0.000 1.103 351 N CA 0.924 54.005 53.050 0.052 0.000 0.707 351 N CB -1.793 36.797 38.487 0.172 0.000 1.043 351 N HN 1.070 nan 8.380 nan 0.000 0.553 352 G N -0.829 107.969 108.800 -0.003 0.000 2.168 352 G HA2 -0.329 3.045 3.960 -0.976 0.000 0.263 352 G HA3 -0.329 3.045 3.960 -0.976 0.000 0.263 352 G C 0.857 175.788 174.900 0.050 0.000 0.977 352 G CA 0.626 45.735 45.100 0.015 0.000 0.659 352 G HN 0.467 nan 8.290 nan 0.000 0.533 353 L N 0.001 121.221 121.223 -0.005 0.000 2.529 353 L HA 0.250 4.004 4.340 -0.976 0.000 0.223 353 L C 0.990 177.859 176.870 -0.002 0.000 1.113 353 L CA 0.647 55.471 54.840 -0.027 0.000 0.861 353 L CB 0.256 42.265 42.059 -0.084 0.000 1.012 353 L HN 0.222 nan 8.230 nan 0.000 0.461 354 S N -0.679 115.040 115.700 0.031 0.000 2.473 354 S HA 0.482 4.366 4.470 -0.976 0.000 0.307 354 S C -0.233 174.418 174.600 0.086 0.000 1.094 354 S CA -0.308 57.928 58.200 0.060 0.000 1.070 354 S CB 2.476 65.715 63.200 0.066 0.000 1.019 354 S HN 0.026 nan 8.310 nan 0.000 0.480 355 T N 3.524 118.150 114.554 0.119 0.000 2.893 355 T HA 0.568 4.332 4.350 -0.976 0.000 0.293 355 T C -3.004 171.722 174.700 0.042 0.000 1.027 355 T CA -2.343 59.822 62.100 0.109 0.000 0.988 355 T CB 1.141 70.107 68.868 0.163 0.000 1.043 355 T HN 0.152 nan 8.240 nan 0.000 0.461 356 P HA 0.282 nan 4.420 nan 0.000 0.264 356 P C -1.148 175.955 177.300 -0.328 0.000 1.193 356 P CA -0.205 62.836 63.100 -0.098 0.000 0.763 356 P CB 0.282 31.965 31.700 -0.027 0.000 0.810 357 A N 3.570 126.023 122.820 -0.611 0.000 2.366 357 A HA 0.151 3.885 4.320 -0.976 0.000 0.272 357 A C 1.360 178.695 177.584 -0.415 0.000 1.135 357 A CA -0.428 50.891 52.037 -1.197 0.000 0.804 357 A CB -0.123 18.222 19.000 -1.092 0.000 1.064 357 A HN 0.663 nan 8.150 nan 0.000 0.499 358 N N 1.022 119.628 118.700 -0.157 0.000 2.424 358 N HA -0.014 4.141 4.740 -0.976 0.000 0.178 358 N C 0.169 175.720 175.510 0.069 0.000 1.060 358 N CA 0.923 53.990 53.050 0.028 0.000 0.901 358 N CB 0.007 38.562 38.487 0.113 0.000 0.979 358 N HN 0.734 nan 8.380 nan 0.000 0.451 359 S N -1.403 114.392 115.700 0.158 0.000 2.636 359 S HA 0.416 4.300 4.470 -0.976 0.000 0.268 359 S C 0.307 175.046 174.600 0.232 0.000 1.159 359 S CA -0.891 57.401 58.200 0.154 0.000 0.815 359 S CB 0.563 63.866 63.200 0.172 0.000 1.130 359 S HN -0.036 nan 8.310 nan 0.000 0.471 360 L N 0.208 121.520 121.223 0.148 0.000 2.395 360 L HA 0.290 4.044 4.340 -0.976 0.000 0.218 360 L C -0.001 177.042 176.870 0.289 0.000 1.130 360 L CA 0.593 55.547 54.840 0.190 0.000 0.826 360 L CB -0.148 41.955 42.059 0.074 0.000 0.941 360 L HN 0.533 nan 8.230 nan 0.000 0.451 361 I N 0.980 121.709 120.570 0.265 0.000 2.315 361 I HA 0.271 3.855 4.170 -0.976 0.000 0.291 361 I C -2.157 174.070 176.117 0.183 0.000 1.006 361 I CA -2.456 58.962 61.300 0.196 0.000 1.265 361 I CB 0.775 38.820 38.000 0.076 0.000 1.387 361 I HN -0.286 nan 8.210 nan 0.000 0.475 362 P HA 0.092 nan 4.420 nan 0.000 0.266 362 P C -1.857 175.315 177.300 -0.214 0.000 1.195 362 P CA -0.925 62.060 63.100 -0.191 0.000 0.768 362 P CB 0.011 31.775 31.700 0.106 0.000 0.838 363 P HA -0.106 nan 4.420 nan 0.000 0.230 363 P C 1.339 178.548 177.300 -0.151 0.000 1.158 363 P CA 0.576 63.518 63.100 -0.264 0.000 0.769 363 P CB -0.123 31.402 31.700 -0.291 0.000 0.807 364 I N -0.590 119.863 120.570 -0.194 0.000 2.423 364 I HA -0.126 3.458 4.170 -0.976 0.000 0.254 364 I C 0.674 176.598 176.117 -0.322 0.000 1.151 364 I CA 0.756 61.910 61.300 -0.243 0.000 1.421 364 I CB -0.890 36.940 38.000 -0.284 0.000 1.079 364 I HN -0.281 nan 8.210 nan 0.000 0.431 365 F N 2.082 121.996 119.950 -0.061 0.000 2.661 365 F HA 0.174 4.115 4.527 -0.977 0.000 0.356 365 F C 1.552 177.248 175.800 -0.173 0.000 1.244 365 F CA -0.259 57.684 58.000 -0.095 0.000 1.290 365 F CB -0.506 38.506 39.000 0.021 0.000 1.677 365 F HN -0.104 nan 8.300 nan 0.000 0.649 366 K N 0.908 121.257 120.400 -0.085 0.000 2.209 366 K HA -0.173 3.561 4.320 -0.976 0.000 0.204 366 K C 2.018 178.546 176.600 -0.119 0.000 1.048 366 K CA 0.834 57.070 56.287 -0.086 0.000 0.940 366 K CB -0.183 32.257 32.500 -0.100 0.000 0.729 366 K HN 0.563 nan 8.250 nan 0.000 0.451 367 Q N -0.453 119.180 119.800 -0.279 0.000 2.482 367 Q HA -0.047 3.707 4.340 -0.976 0.000 0.209 367 Q C 0.365 176.160 176.000 -0.342 0.000 0.961 367 Q CA 0.943 56.510 55.803 -0.394 0.000 0.945 367 Q CB 0.126 28.487 28.738 -0.627 0.000 1.012 367 Q HN 0.231 nan 8.270 nan 0.000 0.515 368 F N -0.107 119.814 119.950 -0.049 0.000 2.781 368 F HA 0.423 4.363 4.527 -0.978 0.000 0.322 368 F C 0.422 176.147 175.800 -0.124 0.000 1.108 368 F CA -0.428 57.435 58.000 -0.227 0.000 1.179 368 F CB 0.949 39.444 39.000 -0.842 0.000 1.072 368 F HN -0.050 nan 8.300 nan 0.000 0.545 369 T N -1.366 113.261 114.554 0.121 0.000 2.665 369 T HA 0.650 4.414 4.350 -0.976 0.000 0.303 369 T C -1.570 173.181 174.700 0.085 0.000 1.334 369 T CA -0.416 61.754 62.100 0.117 0.000 1.011 369 T CB 1.621 70.555 68.868 0.109 0.000 1.573 369 T HN -0.101 nan 8.240 nan 0.000 0.492 370 S N -0.480 115.271 115.700 0.086 0.000 2.537 370 S HA 0.471 4.356 4.470 -0.976 0.000 0.271 370 S C 0.869 175.515 174.600 0.077 0.000 1.148 370 S CA 0.246 58.486 58.200 0.067 0.000 0.868 370 S CB 1.334 64.570 63.200 0.061 0.000 1.115 370 S HN 1.069 nan 8.310 nan 0.000 0.461 371 S N 2.155 117.895 115.700 0.067 0.000 2.555 371 S HA -0.047 3.838 4.470 -0.976 0.000 0.230 371 S C 1.740 176.378 174.600 0.064 0.000 0.978 371 S CA 1.089 59.338 58.200 0.082 0.000 0.934 371 S CB -0.548 62.695 63.200 0.073 0.000 0.766 371 S HN 1.037 nan 8.310 nan 0.000 0.533 372 S N 0.923 116.653 115.700 0.050 0.000 2.453 372 S HA 0.083 3.968 4.470 -0.976 0.000 0.231 372 S C 0.662 175.280 174.600 0.031 0.000 1.005 372 S CA 0.030 58.251 58.200 0.035 0.000 0.949 372 S CB -0.819 62.399 63.200 0.029 0.000 0.774 372 S HN 0.328 nan 8.310 nan 0.000 0.510 373 V N 3.406 123.347 119.914 0.044 0.000 2.529 373 V HA 0.212 3.747 4.120 -0.976 0.000 0.292 373 V C 0.150 176.254 176.094 0.017 0.000 1.028 373 V CA 0.003 62.321 62.300 0.031 0.000 1.074 373 V CB 0.332 32.186 31.823 0.051 0.000 0.958 373 V HN 0.306 nan 8.190 nan 0.000 0.481 374 K N 4.242 124.630 120.400 -0.020 0.000 2.185 374 K HA 0.635 4.370 4.320 -0.976 0.000 0.269 374 K C 0.452 176.977 176.600 -0.126 0.000 0.987 374 K CA -0.077 56.178 56.287 -0.053 0.000 0.865 374 K CB 1.925 34.392 32.500 -0.054 0.000 1.090 374 K HN 0.781 nan 8.250 nan 0.000 0.450 375 G N 0.821 109.525 108.800 -0.161 0.000 3.407 375 G HA2 0.210 3.585 3.960 -0.976 0.000 0.187 375 G HA3 0.210 3.585 3.960 -0.976 0.000 0.187 375 G C -0.592 173.949 174.900 -0.598 0.000 1.262 375 G CA -0.145 44.763 45.100 -0.321 0.000 0.808 375 G HN 0.491 nan 8.290 nan 0.000 0.687 376 Y N 1.431 121.649 120.300 -0.137 0.000 2.720 376 Y HA 0.229 4.193 4.550 -0.977 0.000 0.277 376 Y C 2.143 178.010 175.900 -0.055 0.000 1.144 376 Y CA -0.145 57.863 58.100 -0.153 0.000 1.221 376 Y CB 0.739 39.030 38.460 -0.282 0.000 1.163 376 Y HN 0.469 nan 8.280 nan 0.000 0.537 377 E N 0.998 121.214 120.200 0.027 0.000 2.347 377 E HA -0.128 3.636 4.350 -0.976 0.000 0.196 377 E C 0.221 176.849 176.600 0.048 0.000 1.008 377 E CA 0.632 57.045 56.400 0.021 0.000 0.852 377 E CB 0.233 29.930 29.700 -0.005 0.000 0.783 377 E HN 0.324 nan 8.360 nan 0.000 0.505 378 K N 1.470 121.913 120.400 0.071 0.000 2.358 378 K HA 0.112 3.846 4.320 -0.976 0.000 0.260 378 K C -0.536 176.143 176.600 0.133 0.000 0.956 378 K CA -0.576 55.759 56.287 0.080 0.000 0.834 378 K CB 1.485 34.019 32.500 0.056 0.000 1.102 378 K HN -0.079 nan 8.250 nan 0.000 0.431 379 Q N 2.662 122.529 119.800 0.111 0.000 2.315 379 Q HA -0.080 3.674 4.340 -0.976 0.000 0.289 379 Q C -1.028 175.040 176.000 0.113 0.000 1.044 379 Q CA 0.823 56.704 55.803 0.129 0.000 0.920 379 Q CB 0.578 29.368 28.738 0.087 0.000 1.214 379 Q HN 0.493 nan 8.270 nan 0.000 0.392 380 D N 4.689 125.174 120.400 0.143 0.000 2.472 380 D HA 0.141 4.196 4.640 -0.976 0.000 0.248 380 D C 0.271 176.601 176.300 0.050 0.000 1.271 380 D CA -0.165 53.859 54.000 0.039 0.000 0.888 380 D CB 0.330 41.072 40.800 -0.096 0.000 1.337 380 D HN 0.674 nan 8.370 nan 0.000 0.526 381 L N 0.960 122.218 121.223 0.058 0.000 2.093 381 L HA -0.081 3.673 4.340 -0.976 0.000 0.208 381 L C 1.614 178.507 176.870 0.039 0.000 1.085 381 L CA 0.881 55.762 54.840 0.068 0.000 0.755 381 L CB -0.030 42.064 42.059 0.059 0.000 0.904 381 L HN 0.205 nan 8.230 nan 0.000 0.435 382 D N 0.276 120.681 120.400 0.007 0.000 2.106 382 D HA -0.242 3.812 4.640 -0.976 0.000 0.191 382 D C 2.130 178.415 176.300 -0.025 0.000 0.997 382 D CA 1.367 55.361 54.000 -0.009 0.000 0.834 382 D CB -0.086 40.699 40.800 -0.024 0.000 0.956 382 D HN 0.192 nan 8.370 nan 0.000 0.448 383 K N 0.257 120.611 120.400 -0.077 0.000 2.057 383 K HA -0.084 3.650 4.320 -0.976 0.000 0.207 383 K C 2.000 178.576 176.600 -0.040 0.000 1.049 383 K CA 1.228 57.434 56.287 -0.135 0.000 0.931 383 K CB -0.077 32.197 32.500 -0.376 0.000 0.714 383 K HN 0.066 nan 8.250 nan 0.000 0.440 384 A N 1.753 124.596 122.820 0.038 0.000 1.865 384 A HA -0.213 3.522 4.320 -0.976 0.000 0.217 384 A C 1.887 179.527 177.584 0.094 0.000 1.191 384 A CA 1.825 53.943 52.037 0.135 0.000 0.623 384 A CB -0.780 18.335 19.000 0.192 0.000 0.826 384 A HN 0.384 nan 8.150 nan 0.000 0.444 385 N N -0.201 118.542 118.700 0.073 0.000 2.104 385 N HA -0.191 3.963 4.740 -0.976 0.000 0.190 385 N C 1.770 177.315 175.510 0.059 0.000 1.024 385 N CA 1.790 54.880 53.050 0.066 0.000 0.853 385 N CB -0.331 38.187 38.487 0.052 0.000 1.008 385 N HN 0.727 nan 8.380 nan 0.000 0.424 386 K N 1.116 121.539 120.400 0.039 0.000 2.057 386 K HA -0.021 3.713 4.320 -0.976 0.000 0.206 386 K C 2.169 178.798 176.600 0.049 0.000 1.050 386 K CA 0.622 56.928 56.287 0.032 0.000 0.935 386 K CB -0.119 32.385 32.500 0.006 0.000 0.715 386 K HN 0.059 nan 8.250 nan 0.000 0.439 387 L N 0.976 122.233 121.223 0.056 0.000 2.042 387 L HA -0.209 3.546 4.340 -0.976 0.000 0.210 387 L C 2.411 179.344 176.870 0.104 0.000 1.076 387 L CA 1.198 56.084 54.840 0.077 0.000 0.749 387 L CB -0.331 41.788 42.059 0.100 0.000 0.893 387 L HN 0.261 nan 8.230 nan 0.000 0.432 388 L N -0.968 120.322 121.223 0.112 0.000 2.109 388 L HA -0.179 3.575 4.340 -0.976 0.000 0.207 388 L C 2.219 179.210 176.870 0.201 0.000 1.086 388 L CA 0.760 55.702 54.840 0.169 0.000 0.760 388 L CB -0.608 41.525 42.059 0.124 0.000 0.910 388 L HN 0.256 nan 8.230 nan 0.000 0.437 389 D N 0.594 121.073 120.400 0.130 0.000 2.103 389 D HA -0.249 3.806 4.640 -0.976 0.000 0.190 389 D C 1.960 178.310 176.300 0.082 0.000 0.997 389 D CA 1.832 55.892 54.000 0.100 0.000 0.833 389 D CB -0.177 40.662 40.800 0.065 0.000 0.961 389 D HN 0.532 nan 8.370 nan 0.000 0.447 390 E N 0.244 120.487 120.200 0.072 0.000 2.418 390 E HA -0.141 3.623 4.350 -0.976 0.000 0.197 390 E C 0.730 177.362 176.600 0.054 0.000 1.026 390 E CA 0.793 57.223 56.400 0.049 0.000 0.862 390 E CB -0.029 29.694 29.700 0.039 0.000 0.799 390 E HN 0.116 nan 8.360 nan 0.000 0.518 391 D N -0.484 119.973 120.400 0.096 0.000 2.328 391 D HA 0.121 4.175 4.640 -0.976 0.000 0.221 391 D C 1.072 177.387 176.300 0.025 0.000 1.072 391 D CA 0.861 54.925 54.000 0.107 0.000 0.850 391 D CB 0.290 41.229 40.800 0.231 0.000 0.922 391 D HN 0.333 nan 8.370 nan 0.000 0.516 392 G N -0.112 108.683 108.800 -0.008 0.000 2.175 392 G HA2 -0.273 3.102 3.960 -0.976 0.000 0.244 392 G HA3 -0.273 3.102 3.960 -0.976 0.000 0.244 392 G C -0.103 174.673 174.900 -0.207 0.000 0.982 392 G CA -0.140 44.880 45.100 -0.134 0.000 0.641 392 G HN 0.253 nan 8.290 nan 0.000 0.527 393 W N 2.274 123.581 121.300 0.011 0.000 2.581 393 W HA 0.560 4.635 4.660 -0.976 0.000 0.359 393 W C 0.879 177.412 176.519 0.024 0.000 1.167 393 W CA -0.230 57.125 57.345 0.017 0.000 1.517 393 W CB 0.470 29.939 29.460 0.016 0.000 1.519 393 W HN 0.160 nan 8.180 nan 0.000 0.431 394 K N 3.219 123.710 120.400 0.152 0.000 2.156 394 K HA 0.359 4.093 4.320 -0.976 0.000 0.271 394 K C -0.282 176.394 176.600 0.127 0.000 0.995 394 K CA -0.966 55.385 56.287 0.106 0.000 0.890 394 K CB 0.892 33.416 32.500 0.039 0.000 1.073 394 K HN 0.277 nan 8.250 nan 0.000 0.454 395 L N 3.226 124.512 121.223 0.104 0.000 2.476 395 L HA 0.151 3.905 4.340 -0.976 0.000 0.264 395 L C -0.122 176.792 176.870 0.072 0.000 1.224 395 L CA 0.503 55.398 54.840 0.092 0.000 0.821 395 L CB 0.587 42.683 42.059 0.062 0.000 1.101 395 L HN 0.697 nan 8.230 nan 0.000 0.488 396 N N 1.141 119.881 118.700 0.066 0.000 2.466 396 N HA 0.123 4.278 4.740 -0.976 0.000 0.294 396 N C 0.179 175.704 175.510 0.026 0.000 1.129 396 N CA -0.540 52.542 53.050 0.053 0.000 0.931 396 N CB 2.041 40.573 38.487 0.074 0.000 1.193 396 N HN 0.515 nan 8.380 nan 0.000 0.500 397 K N 0.857 121.271 120.400 0.024 0.000 1.991 397 K HA -0.044 3.690 4.320 -0.976 0.000 0.207 397 K C 1.980 178.588 176.600 0.012 0.000 1.045 397 K CA 1.367 57.662 56.287 0.014 0.000 0.937 397 K CB -0.595 31.915 32.500 0.016 0.000 0.720 397 K HN 0.428 nan 8.250 nan 0.000 0.438 398 S N -0.358 115.357 115.700 0.025 0.000 2.336 398 S HA -0.076 3.808 4.470 -0.976 0.000 0.214 398 S C 0.659 175.278 174.600 0.032 0.000 1.032 398 S CA 1.391 59.609 58.200 0.029 0.000 1.001 398 S CB -0.878 62.346 63.200 0.040 0.000 0.953 398 S HN 0.642 nan 8.310 nan 0.000 0.430 399 T N -1.073 113.517 114.554 0.059 0.000 2.899 399 T HA 0.531 4.296 4.350 -0.976 0.000 0.295 399 T C 0.950 175.626 174.700 -0.040 0.000 1.033 399 T CA -0.113 62.035 62.100 0.080 0.000 1.084 399 T CB 1.253 70.255 68.868 0.224 0.000 0.979 399 T HN 0.303 nan 8.240 nan 0.000 0.532 400 G N 0.699 109.334 108.800 -0.275 0.000 3.210 400 G HA2 0.312 3.686 3.960 -0.976 0.000 0.220 400 G HA3 0.312 3.686 3.960 -0.976 0.000 0.220 400 G C -0.604 173.965 174.900 -0.551 0.000 1.200 400 G CA -0.236 44.599 45.100 -0.443 0.000 0.834 400 G HN 0.690 nan 8.290 nan 0.000 0.524 401 Y N -0.714 119.626 120.300 0.066 0.000 2.562 401 Y HA 0.598 4.562 4.550 -0.976 0.000 0.343 401 Y C 0.651 176.608 175.900 0.096 0.000 1.025 401 Y CA -1.377 56.768 58.100 0.074 0.000 1.082 401 Y CB 1.426 39.927 38.460 0.068 0.000 1.264 401 Y HN -0.137 nan 8.280 nan 0.000 0.478 402 R N 1.117 121.796 120.500 0.297 0.000 2.457 402 R HA 0.513 4.267 4.340 -0.976 0.000 0.284 402 R C -0.955 175.570 176.300 0.376 0.000 1.024 402 R CA -0.774 55.498 56.100 0.287 0.000 1.025 402 R CB 1.156 31.634 30.300 0.296 0.000 1.063 402 R HN 0.696 nan 8.270 nan 0.000 0.493 403 E N 1.012 121.411 120.200 0.333 0.000 2.343 403 E HA 0.345 4.109 4.350 -0.976 0.000 0.270 403 E C -1.312 175.294 176.600 0.010 0.000 0.895 403 E CA -0.906 55.646 56.400 0.254 0.000 0.767 403 E CB 2.849 32.627 29.700 0.131 0.000 1.248 403 E HN 0.258 nan 8.360 nan 0.000 0.440 404 K N 1.952 122.184 120.400 -0.281 0.000 2.553 404 K HA 0.143 3.877 4.320 -0.976 0.000 0.250 404 K C -1.258 175.103 176.600 -0.398 0.000 0.953 404 K CA -0.434 55.474 56.287 -0.631 0.000 0.800 404 K CB 1.028 32.522 32.500 -1.676 0.000 1.243 404 K HN 0.466 nan 8.250 nan 0.000 0.435 405 D N 3.379 123.622 120.400 -0.262 0.000 2.737 405 D HA -0.221 3.834 4.640 -0.976 0.000 0.233 405 D C 0.676 176.922 176.300 -0.089 0.000 1.155 405 D CA 2.070 55.980 54.000 -0.150 0.000 0.667 405 D CB -0.957 39.757 40.800 -0.143 0.000 1.060 405 D HN 1.105 nan 8.370 nan 0.000 0.427 406 G N -0.802 107.957 108.800 -0.068 0.000 2.199 406 G HA2 -0.345 3.030 3.960 -0.976 0.000 0.254 406 G HA3 -0.345 3.030 3.960 -0.976 0.000 0.254 406 G C 0.283 175.194 174.900 0.018 0.000 0.982 406 G CA 0.624 45.714 45.100 -0.017 0.000 0.632 406 G HN 0.467 nan 8.290 nan 0.000 0.529 407 K N 0.795 121.213 120.400 0.029 0.000 2.182 407 K HA 0.515 4.249 4.320 -0.976 0.000 0.262 407 K C -0.018 176.706 176.600 0.207 0.000 0.957 407 K CA -0.637 55.708 56.287 0.097 0.000 0.842 407 K CB 2.058 34.618 32.500 0.101 0.000 1.099 407 K HN 0.303 nan 8.250 nan 0.000 0.438 408 E N 2.032 122.339 120.200 0.179 0.000 2.366 408 E HA 0.044 3.809 4.350 -0.976 0.000 0.266 408 E C -0.872 175.844 176.600 0.192 0.000 1.051 408 E CA -0.666 55.854 56.400 0.200 0.000 0.884 408 E CB 0.653 30.413 29.700 0.099 0.000 1.006 408 E HN 0.210 nan 8.360 nan 0.000 0.417 409 L N 3.909 125.211 121.223 0.130 0.000 2.356 409 L HA 0.235 3.989 4.340 -0.976 0.000 0.282 409 L C -0.851 175.917 176.870 -0.169 0.000 1.132 409 L CA 0.531 55.264 54.840 -0.179 0.000 0.923 409 L CB 0.153 41.935 42.059 -0.462 0.000 1.278 409 L HN 0.264 nan 8.230 nan 0.000 0.436 410 S N 4.929 120.542 115.700 -0.146 0.000 2.532 410 S HA 0.835 4.719 4.470 -0.976 0.000 0.299 410 S C -0.824 173.706 174.600 -0.116 0.000 1.105 410 S CA -0.565 57.551 58.200 -0.140 0.000 1.018 410 S CB 0.742 63.878 63.200 -0.106 0.000 1.021 410 S HN 0.497 nan 8.310 nan 0.000 0.483 411 L N 3.486 124.646 121.223 -0.105 0.000 2.371 411 L HA 0.699 4.454 4.340 -0.976 0.000 0.262 411 L C -1.021 175.868 176.870 0.032 0.000 1.006 411 L CA -1.119 53.679 54.840 -0.070 0.000 0.818 411 L CB 2.259 44.218 42.059 -0.166 0.000 1.354 411 L HN 0.322 nan 8.230 nan 0.000 0.415 412 V N 1.249 121.232 119.914 0.116 0.000 2.398 412 V HA 0.293 3.827 4.120 -0.976 0.000 0.286 412 V C -1.187 175.135 176.094 0.381 0.000 1.026 412 V CA -0.553 61.889 62.300 0.237 0.000 0.868 412 V CB 1.515 33.500 31.823 0.270 0.000 0.982 412 V HN 0.471 nan 8.190 nan 0.000 0.443 413 Y N 4.738 125.181 120.300 0.238 0.000 2.402 413 Y HA 0.662 4.626 4.550 -0.977 0.000 0.332 413 Y C 0.383 176.443 175.900 0.267 0.000 0.960 413 Y CA -2.030 56.229 58.100 0.266 0.000 1.228 413 Y CB 1.118 39.751 38.460 0.288 0.000 1.120 413 Y HN 0.673 nan 8.280 nan 0.000 0.491 414 A N 6.145 129.138 122.820 0.289 0.000 3.037 414 A HA 0.623 4.358 4.320 -0.976 0.000 0.272 414 A C 0.514 177.984 177.584 -0.190 0.000 1.723 414 A CA 0.145 52.177 52.037 -0.009 0.000 1.413 414 A CB -1.393 17.466 19.000 -0.234 0.000 1.112 414 A HN 0.881 nan 8.150 nan 0.000 0.606 415 A N 2.496 124.986 122.820 -0.551 0.000 2.351 415 A HA 0.631 4.366 4.320 -0.976 0.000 0.257 415 A C 0.756 178.154 177.584 -0.311 0.000 1.087 415 A CA -0.460 51.203 52.037 -0.623 0.000 0.798 415 A CB 0.288 18.760 19.000 -0.880 0.000 1.033 415 A HN 0.937 nan 8.150 nan 0.000 0.488 416 R N 0.810 121.139 120.500 -0.284 0.000 2.888 416 R HA 0.682 4.437 4.340 -0.976 0.000 0.266 416 R C -1.274 174.920 176.300 -0.177 0.000 1.020 416 R CA -0.758 55.196 56.100 -0.243 0.000 0.963 416 R CB 0.748 30.805 30.300 -0.405 0.000 1.197 416 R HN 0.325 nan 8.270 nan 0.000 0.481 417 V N 0.793 120.634 119.914 -0.122 0.000 2.843 417 V HA 0.314 3.848 4.120 -0.976 0.000 0.305 417 V C 1.158 177.187 176.094 -0.107 0.000 1.065 417 V CA 1.669 63.913 62.300 -0.094 0.000 1.116 417 V CB 0.934 32.725 31.823 -0.053 0.000 0.968 417 V HN 1.144 nan 8.190 nan 0.000 0.487 418 G N 2.723 111.460 108.800 -0.105 0.000 4.455 418 G HA2 -0.094 3.280 3.960 -0.976 0.000 0.182 418 G HA3 -0.094 3.280 3.960 -0.976 0.000 0.182 418 G C 0.052 174.891 174.900 -0.102 0.000 1.631 418 G CA 0.072 45.101 45.100 -0.118 0.000 0.878 418 G HN 0.646 nan 8.290 nan 0.000 0.295 419 D N 1.890 122.232 120.400 -0.097 0.000 2.414 419 D HA 0.488 4.543 4.640 -0.976 0.000 0.242 419 D C 1.794 178.034 176.300 -0.099 0.000 1.129 419 D CA 0.566 54.514 54.000 -0.087 0.000 0.885 419 D CB 1.530 42.281 40.800 -0.083 0.000 1.198 419 D HN 0.464 nan 8.370 nan 0.000 0.437 420 A N 4.247 127.016 122.820 -0.086 0.000 1.986 420 A HA -0.230 3.505 4.320 -0.976 0.000 0.220 420 A C 1.338 178.844 177.584 -0.129 0.000 1.171 420 A CA 1.465 53.452 52.037 -0.084 0.000 0.640 420 A CB -0.391 18.578 19.000 -0.052 0.000 0.811 420 A HN 0.769 nan 8.150 nan 0.000 0.451 421 N N -0.965 117.613 118.700 -0.204 0.000 2.458 421 N HA 0.469 4.623 4.740 -0.976 0.000 0.274 421 N C 1.033 176.357 175.510 -0.311 0.000 1.242 421 N CA 0.339 53.189 53.050 -0.334 0.000 0.904 421 N CB 0.617 38.702 38.487 -0.671 0.000 1.206 421 N HN 0.383 nan 8.380 nan 0.000 0.510 422 A N 1.058 123.761 122.820 -0.196 0.000 1.892 422 A HA -0.211 3.523 4.320 -0.976 0.000 0.218 422 A C 2.102 179.597 177.584 -0.149 0.000 1.188 422 A CA 1.327 53.271 52.037 -0.155 0.000 0.631 422 A CB -0.126 18.802 19.000 -0.121 0.000 0.822 422 A HN 0.257 nan 8.150 nan 0.000 0.447 423 E N -0.550 119.567 120.200 -0.139 0.000 2.077 423 E HA -0.140 3.625 4.350 -0.976 0.000 0.193 423 E C 2.162 178.688 176.600 -0.123 0.000 0.989 423 E CA 1.835 58.170 56.400 -0.107 0.000 0.800 423 E CB -0.725 28.924 29.700 -0.086 0.000 0.746 423 E HN 0.646 nan 8.360 nan 0.000 0.452 424 T N 1.491 115.928 114.554 -0.195 0.000 2.857 424 T HA -0.031 3.733 4.350 -0.976 0.000 0.266 424 T C 2.169 176.723 174.700 -0.244 0.000 1.048 424 T CA 0.670 62.644 62.100 -0.210 0.000 1.139 424 T CB -0.139 68.547 68.868 -0.303 0.000 0.874 424 T HN 0.068 nan 8.240 nan 0.000 0.455 425 I N 1.496 121.864 120.570 -0.338 0.000 2.252 425 I HA -0.144 3.440 4.170 -0.976 0.000 0.245 425 I C 2.899 178.809 176.117 -0.345 0.000 1.102 425 I CA 1.080 62.154 61.300 -0.377 0.000 1.385 425 I CB -0.431 37.381 38.000 -0.312 0.000 1.064 425 I HN 0.179 nan 8.210 nan 0.000 0.414 426 A N -0.152 122.612 122.820 -0.093 0.000 1.902 426 A HA -0.228 3.506 4.320 -0.976 0.000 0.217 426 A C 2.298 179.963 177.584 0.135 0.000 1.181 426 A CA 1.400 53.531 52.037 0.157 0.000 0.623 426 A CB -0.452 18.600 19.000 0.085 0.000 0.818 426 A HN 0.365 nan 8.150 nan 0.000 0.443 427 Q N -0.299 119.510 119.800 0.016 0.000 2.079 427 Q HA -0.182 3.572 4.340 -0.976 0.000 0.200 427 Q C 1.959 177.953 176.000 -0.010 0.000 0.974 427 Q CA 1.764 57.589 55.803 0.036 0.000 0.840 427 Q CB -0.612 28.132 28.738 0.010 0.000 0.898 427 Q HN 0.853 nan 8.270 nan 0.000 0.430 428 N N -0.300 118.332 118.700 -0.114 0.000 2.061 428 N HA -0.215 3.939 4.740 -0.976 0.000 0.193 428 N C 1.539 176.935 175.510 -0.191 0.000 1.030 428 N CA 1.520 54.472 53.050 -0.164 0.000 0.856 428 N CB -0.197 38.136 38.487 -0.256 0.000 1.023 428 N HN 0.120 nan 8.380 nan 0.000 0.424 429 Y N 0.757 120.915 120.300 -0.236 0.000 2.181 429 Y HA -0.055 3.909 4.550 -0.977 0.000 0.288 429 Y C 2.239 177.728 175.900 -0.686 0.000 1.146 429 Y CA 0.652 58.340 58.100 -0.687 0.000 1.164 429 Y CB -0.733 37.197 38.460 -0.884 0.000 0.982 429 Y HN 0.150 nan 8.280 nan 0.000 0.515 430 I N -0.277 120.312 120.570 0.032 0.000 2.194 430 I HA -0.349 3.235 4.170 -0.976 0.000 0.246 430 I C 2.281 178.519 176.117 0.202 0.000 1.093 430 I CA 1.345 62.823 61.300 0.297 0.000 1.355 430 I CB -0.318 37.875 38.000 0.321 0.000 1.046 430 I HN 0.238 nan 8.210 nan 0.000 0.413 431 Q N 0.153 120.004 119.800 0.085 0.000 2.172 431 Q HA -0.164 3.591 4.340 -0.976 0.000 0.200 431 Q C 2.207 178.237 176.000 0.051 0.000 0.964 431 Q CA 1.122 56.971 55.803 0.077 0.000 0.855 431 Q CB -0.307 28.455 28.738 0.040 0.000 0.918 431 Q HN 0.534 nan 8.270 nan 0.000 0.444 432 Q N -0.913 118.861 119.800 -0.044 0.000 2.119 432 Q HA -0.119 3.635 4.340 -0.976 0.000 0.201 432 Q C 1.841 177.871 176.000 0.050 0.000 0.972 432 Q CA 0.845 56.612 55.803 -0.060 0.000 0.847 432 Q CB -0.306 28.323 28.738 -0.181 0.000 0.903 432 Q HN 0.484 nan 8.270 nan 0.000 0.433 433 W N 1.402 122.768 121.300 0.111 0.000 2.436 433 W HA -0.008 4.066 4.660 -0.977 0.000 0.284 433 W C 2.100 178.691 176.519 0.120 0.000 1.225 433 W CA 0.535 57.934 57.345 0.089 0.000 1.271 433 W CB -0.544 28.955 29.460 0.066 0.000 1.114 433 W HN 0.227 nan 8.180 nan 0.000 0.559 434 K N 1.206 121.812 120.400 0.342 0.000 2.097 434 K HA -0.187 3.547 4.320 -0.976 0.000 0.206 434 K C 1.862 178.543 176.600 0.135 0.000 1.049 434 K CA 1.503 57.956 56.287 0.277 0.000 0.933 434 K CB -0.121 32.518 32.500 0.232 0.000 0.717 434 K HN -0.023 nan 8.250 nan 0.000 0.442 435 K N 0.552 121.023 120.400 0.118 0.000 2.211 435 K HA -0.124 3.610 4.320 -0.976 0.000 0.204 435 K C 1.773 178.423 176.600 0.083 0.000 1.047 435 K CA 1.507 57.838 56.287 0.074 0.000 0.935 435 K CB -0.174 32.365 32.500 0.065 0.000 0.728 435 K HN 0.451 nan 8.250 nan 0.000 0.452 436 I N -3.762 116.889 120.570 0.134 0.000 3.904 436 I HA 0.333 3.917 4.170 -0.976 0.000 0.333 436 I C 0.573 176.762 176.117 0.120 0.000 1.361 436 I CA -0.023 61.352 61.300 0.124 0.000 1.116 436 I CB 0.417 38.510 38.000 0.154 0.000 1.028 436 I HN 0.114 nan 8.210 nan 0.000 0.398 437 G N 1.572 110.448 108.800 0.126 0.000 2.147 437 G HA2 -0.194 3.180 3.960 -0.976 0.000 0.244 437 G HA3 -0.194 3.180 3.960 -0.976 0.000 0.244 437 G C -0.064 175.020 174.900 0.307 0.000 1.005 437 G CA 0.141 45.335 45.100 0.156 0.000 0.713 437 G HN 0.332 nan 8.290 nan 0.000 0.515 438 V N 0.588 120.672 119.914 0.283 0.000 2.398 438 V HA 0.478 4.012 4.120 -0.976 0.000 0.286 438 V C 0.615 176.848 176.094 0.232 0.000 1.026 438 V CA -0.827 61.570 62.300 0.162 0.000 0.868 438 V CB 1.811 33.619 31.823 -0.025 0.000 0.982 438 V HN 0.353 nan 8.190 nan 0.000 0.443 439 K N 4.305 124.680 120.400 -0.041 0.000 2.285 439 K HA 0.590 4.324 4.320 -0.976 0.000 0.286 439 K C -1.243 175.313 176.600 -0.072 0.000 1.072 439 K CA -0.260 55.879 56.287 -0.247 0.000 0.913 439 K CB 1.091 33.118 32.500 -0.788 0.000 1.067 439 K HN 0.522 nan 8.250 nan 0.000 0.479 440 V N 3.063 123.029 119.914 0.087 0.000 2.540 440 V HA 0.360 3.894 4.120 -0.976 0.000 0.302 440 V C -0.644 175.568 176.094 0.196 0.000 1.035 440 V CA -0.776 61.610 62.300 0.144 0.000 0.873 440 V CB 1.953 33.942 31.823 0.277 0.000 0.992 440 V HN 0.803 nan 8.190 nan 0.000 0.428 441 S N 4.094 119.901 115.700 0.178 0.000 2.566 441 S HA 0.708 4.593 4.470 -0.976 0.000 0.298 441 S C -0.486 174.246 174.600 0.220 0.000 1.083 441 S CA -0.681 57.620 58.200 0.168 0.000 0.978 441 S CB 1.735 64.988 63.200 0.088 0.000 1.073 441 S HN 0.535 nan 8.310 nan 0.000 0.491 442 L N 2.163 123.489 121.223 0.173 0.000 2.461 442 L HA 0.221 3.975 4.340 -0.976 0.000 0.272 442 L C -0.056 176.890 176.870 0.128 0.000 1.197 442 L CA -0.431 54.490 54.840 0.136 0.000 0.836 442 L CB 0.094 42.190 42.059 0.062 0.000 1.105 442 L HN 0.699 nan 8.230 nan 0.000 0.477 443 Y N 4.189 124.506 120.300 0.028 0.000 2.650 443 Y HA -0.131 3.833 4.550 -0.976 0.000 0.331 443 Y C 1.153 177.045 175.900 -0.014 0.000 1.165 443 Y CA 0.490 58.601 58.100 0.018 0.000 1.473 443 Y CB -0.105 38.342 38.460 -0.022 0.000 1.224 443 Y HN 0.760 nan 8.280 nan 0.000 0.533 444 N N 4.016 122.425 118.700 -0.484 0.000 2.714 444 N HA -0.223 3.931 4.740 -0.976 0.000 0.250 444 N C 0.754 176.199 175.510 -0.109 0.000 1.117 444 N CA 1.641 54.506 53.050 -0.308 0.000 0.719 444 N CB -1.343 36.964 38.487 -0.300 0.000 1.081 444 N HN 1.386 nan 8.380 nan 0.000 0.557 445 G N -0.961 107.804 108.800 -0.058 0.000 2.168 445 G HA2 -0.354 3.020 3.960 -0.976 0.000 0.257 445 G HA3 -0.354 3.020 3.960 -0.976 0.000 0.257 445 G C -0.081 174.817 174.900 -0.003 0.000 0.997 445 G CA 1.398 46.489 45.100 -0.014 0.000 0.708 445 G HN 1.051 nan 8.290 nan 0.000 0.520 446 K N -1.275 119.127 120.400 0.002 0.000 2.548 446 K HA 0.733 4.468 4.320 -0.976 0.000 0.282 446 K C -0.180 176.417 176.600 -0.005 0.000 1.006 446 K CA -1.428 54.857 56.287 -0.002 0.000 0.892 446 K CB 1.105 33.603 32.500 -0.004 0.000 1.499 446 K HN 0.087 nan 8.250 nan 0.000 0.433 447 L N 1.765 122.969 121.223 -0.032 0.000 2.461 447 L HA 0.236 3.990 4.340 -0.976 0.000 0.272 447 L C 0.418 177.266 176.870 -0.036 0.000 1.197 447 L CA -0.309 54.493 54.840 -0.062 0.000 0.836 447 L CB 0.309 42.320 42.059 -0.081 0.000 1.105 447 L HN 0.499 nan 8.230 nan 0.000 0.477 448 M N 2.137 121.705 119.600 -0.054 0.000 2.249 448 M HA 0.183 4.077 4.480 -0.976 0.000 0.351 448 M C 0.100 176.384 176.300 -0.027 0.000 1.180 448 M CA -0.537 54.742 55.300 -0.035 0.000 1.127 448 M CB 0.971 33.534 32.600 -0.060 0.000 1.546 448 M HN 0.458 nan 8.290 nan 0.000 0.461 449 E N 1.287 121.486 120.200 -0.001 0.000 2.390 449 E HA -0.018 3.746 4.350 -0.976 0.000 0.261 449 E C 0.394 177.034 176.600 0.067 0.000 1.076 449 E CA 0.071 56.489 56.400 0.030 0.000 0.905 449 E CB 0.556 30.275 29.700 0.031 0.000 0.984 449 E HN 0.587 nan 8.360 nan 0.000 0.427 450 F N 3.202 123.129 119.950 -0.039 0.000 2.095 450 F HA -0.248 3.695 4.527 -0.974 0.000 0.298 450 F C 1.512 177.350 175.800 0.062 0.000 1.104 450 F CA 1.764 59.755 58.000 -0.016 0.000 1.232 450 F CB 0.009 38.972 39.000 -0.062 0.000 0.987 450 F HN 0.346 nan 8.300 nan 0.000 0.475 451 N N -0.255 118.437 118.700 -0.013 0.000 2.188 451 N HA -0.164 3.991 4.740 -0.976 0.000 0.184 451 N C 2.166 177.581 175.510 -0.159 0.000 1.018 451 N CA 1.290 54.267 53.050 -0.123 0.000 0.858 451 N CB -0.820 37.679 38.487 0.020 0.000 0.989 451 N HN 0.351 nan 8.380 nan 0.000 0.426 452 S N -0.250 115.395 115.700 -0.090 0.000 2.368 452 S HA -0.153 3.731 4.470 -0.976 0.000 0.225 452 S C 1.761 176.254 174.600 -0.177 0.000 1.030 452 S CA 1.110 59.250 58.200 -0.099 0.000 0.999 452 S CB -0.364 62.802 63.200 -0.057 0.000 0.844 452 S HN 0.563 nan 8.310 nan 0.000 0.459 453 W N 1.761 122.828 121.300 -0.390 0.000 2.355 453 W HA -0.114 3.959 4.660 -0.977 0.000 0.309 453 W C 1.990 178.155 176.519 -0.589 0.000 1.206 453 W CA 1.647 58.690 57.345 -0.503 0.000 1.284 453 W CB -0.740 28.423 29.460 -0.494 0.000 1.145 453 W HN 0.097 nan 8.180 nan 0.000 0.502 454 V N 1.373 120.927 119.914 -0.599 0.000 2.287 454 V HA -0.363 3.172 4.120 -0.976 0.000 0.248 454 V C 2.107 177.820 176.094 -0.634 0.000 1.053 454 V CA 2.473 64.298 62.300 -0.792 0.000 1.027 454 V CB -1.098 30.357 31.823 -0.614 0.000 0.646 454 V HN 0.103 nan 8.190 nan 0.000 0.447 455 D N -1.061 119.098 120.400 -0.403 0.000 2.104 455 D HA -0.209 3.846 4.640 -0.976 0.000 0.194 455 D C 2.110 178.228 176.300 -0.304 0.000 0.994 455 D CA 1.831 55.671 54.000 -0.267 0.000 0.830 455 D CB -0.372 40.336 40.800 -0.153 0.000 0.959 455 D HN 0.599 nan 8.370 nan 0.000 0.452 456 H N -0.769 118.010 119.070 -0.486 0.000 2.387 456 H HA -0.010 3.960 4.556 -0.977 0.000 0.299 456 H C 1.782 176.779 175.328 -0.552 0.000 1.090 456 H CA 1.288 57.051 56.048 -0.475 0.000 1.332 456 H CB 0.160 29.568 29.762 -0.591 0.000 1.386 456 H HN -0.011 nan 8.280 nan 0.000 0.516 457 M N -0.830 118.263 119.600 -0.844 0.000 2.435 457 M HA 0.021 3.915 4.480 -0.976 0.000 0.265 457 M C 1.776 177.750 176.300 -0.544 0.000 1.104 457 M CA 1.291 55.988 55.300 -1.005 0.000 1.140 457 M CB -0.608 30.702 32.600 -2.150 0.000 1.372 457 M HN 0.443 nan 8.290 nan 0.000 0.456 458 T N -3.622 110.679 114.554 -0.423 0.000 3.054 458 T HA 0.142 3.906 4.350 -0.976 0.000 0.255 458 T C 0.528 175.201 174.700 -0.045 0.000 1.035 458 T CA -0.114 61.913 62.100 -0.121 0.000 0.941 458 T CB -0.271 68.558 68.868 -0.066 0.000 1.026 458 T HN 0.078 nan 8.240 nan 0.000 0.533 459 T N 5.125 119.625 114.554 -0.090 0.000 2.723 459 T HA 0.443 4.207 4.350 -0.976 0.000 0.297 459 T C -2.611 172.102 174.700 0.021 0.000 0.925 459 T CA -1.034 61.046 62.100 -0.034 0.000 1.030 459 T CB 1.032 69.857 68.868 -0.070 0.000 0.905 459 T HN 0.203 nan 8.240 nan 0.000 0.502 460 P HA 0.175 nan 4.420 nan 0.000 0.269 460 P C -1.605 175.735 177.300 0.067 0.000 1.215 460 P CA -1.267 61.918 63.100 0.141 0.000 0.780 460 P CB 0.180 32.020 31.700 0.232 0.000 0.898 461 P HA 0.150 nan 4.420 nan 0.000 0.255 461 P C 0.184 177.516 177.300 0.053 0.000 1.248 461 P CA 0.385 63.536 63.100 0.085 0.000 0.807 461 P CB -0.008 31.718 31.700 0.043 0.000 1.150 462 G N -0.060 108.785 108.800 0.075 0.000 2.650 462 G HA2 0.215 3.589 3.960 -0.976 0.000 0.686 462 G HA3 0.215 3.589 3.960 -0.976 0.000 0.686 462 G C -0.535 174.414 174.900 0.080 0.000 1.205 462 G CA -0.559 44.635 45.100 0.156 0.000 0.781 462 G HN 0.366 nan 8.290 nan 0.000 0.648 463 A N 0.299 123.177 122.820 0.097 0.000 2.271 463 A HA 0.768 4.503 4.320 -0.976 0.000 0.288 463 A C 0.968 178.599 177.584 0.078 0.000 1.094 463 A CA 0.362 52.435 52.037 0.060 0.000 0.828 463 A CB 1.106 20.084 19.000 -0.038 0.000 1.091 463 A HN 1.476 nan 8.150 nan 0.000 0.493 464 N N -0.747 117.990 118.700 0.062 0.000 2.204 464 N HA 0.055 4.209 4.740 -0.976 0.000 0.219 464 N C -0.209 175.325 175.510 0.040 0.000 1.151 464 N CA 0.541 53.588 53.050 -0.006 0.000 0.867 464 N CB 0.425 38.914 38.487 0.003 0.000 1.043 464 N HN 0.627 nan 8.380 nan 0.000 0.516 465 D N -0.862 119.660 120.400 0.204 0.000 2.462 465 D HA 0.042 4.097 4.640 -0.976 0.000 0.221 465 D C -0.172 176.438 176.300 0.518 0.000 1.173 465 D CA -0.526 53.673 54.000 0.332 0.000 0.831 465 D CB -0.539 40.513 40.800 0.420 0.000 1.001 465 D HN 0.250 nan 8.370 nan 0.000 0.499 466 W N 0.157 121.614 121.300 0.262 0.000 3.033 466 W HA 0.546 4.621 4.660 -0.975 0.000 0.336 466 W C -0.850 175.777 176.519 0.181 0.000 1.173 466 W CA -0.686 56.800 57.345 0.235 0.000 1.185 466 W CB 0.891 30.447 29.460 0.160 0.000 1.425 466 W HN -0.348 nan 8.180 nan 0.000 0.536 467 D N 0.939 121.511 120.400 0.287 0.000 2.597 467 D HA 0.240 4.294 4.640 -0.976 0.000 0.261 467 D C 0.322 176.834 176.300 0.354 0.000 1.023 467 D CA 0.734 54.787 54.000 0.088 0.000 0.927 467 D CB 1.691 42.519 40.800 0.047 0.000 1.168 467 D HN 0.169 nan 8.370 nan 0.000 0.491 468 I N 0.414 121.334 120.570 0.583 0.000 2.509 468 I HA 0.298 3.882 4.170 -0.976 0.000 0.293 468 I C -0.209 176.349 176.117 0.735 0.000 1.020 468 I CA -0.228 61.419 61.300 0.579 0.000 1.088 468 I CB 2.631 40.745 38.000 0.189 0.000 1.267 468 I HN -0.239 nan 8.210 nan 0.000 0.430 469 T N 3.237 118.152 114.554 0.600 0.000 2.816 469 T HA 0.382 4.146 4.350 -0.976 0.000 0.299 469 T C -1.862 173.101 174.700 0.438 0.000 1.230 469 T CA -0.621 61.721 62.100 0.402 0.000 1.007 469 T CB 1.701 70.527 68.868 -0.070 0.000 1.289 469 T HN 0.489 nan 8.240 nan 0.000 0.508 470 D N 0.596 121.193 120.400 0.328 0.000 2.248 470 D HA 0.617 4.671 4.640 -0.976 0.000 0.246 470 D C -0.131 176.253 176.300 0.140 0.000 1.027 470 D CA -0.211 53.942 54.000 0.255 0.000 0.853 470 D CB 1.928 42.814 40.800 0.145 0.000 1.243 470 D HN 0.737 nan 8.370 nan 0.000 0.462 471 G N -0.509 108.471 108.800 0.300 0.000 2.605 471 G HA2 0.626 4.000 3.960 -0.976 0.000 0.296 471 G HA3 0.626 4.000 3.960 -0.976 0.000 0.296 471 G C -1.183 173.693 174.900 -0.041 0.000 1.304 471 G CA -0.739 44.451 45.100 0.150 0.000 0.941 471 G HN 0.443 nan 8.290 nan 0.000 0.475 472 S N -1.109 114.365 115.700 -0.376 0.000 2.533 472 S HA 0.713 4.598 4.470 -0.976 0.000 0.271 472 S C -1.877 172.389 174.600 -0.557 0.000 1.143 472 S CA -0.906 57.065 58.200 -0.382 0.000 0.891 472 S CB 1.324 64.390 63.200 -0.222 0.000 1.105 472 S HN 0.681 nan 8.310 nan 0.000 0.468 473 W N 0.868 122.055 121.300 -0.190 0.000 2.883 473 W HA 0.611 4.683 4.660 -0.980 0.000 0.335 473 W C -0.396 176.092 176.519 -0.051 0.000 1.083 473 W CA -0.645 56.668 57.345 -0.054 0.000 1.233 473 W CB 2.413 31.870 29.460 -0.006 0.000 1.412 473 W HN 0.639 nan 8.180 nan 0.000 0.490 474 S N 3.384 119.278 115.700 0.324 0.000 2.411 474 S HA 0.441 4.326 4.470 -0.976 0.000 0.294 474 S C -0.216 174.524 174.600 0.232 0.000 1.115 474 S CA -0.619 57.743 58.200 0.271 0.000 1.071 474 S CB -0.076 63.255 63.200 0.219 0.000 0.967 474 S HN 0.224 nan 8.310 nan 0.000 0.488 475 L N 2.913 124.257 121.223 0.201 0.000 2.350 475 L HA 0.519 4.274 4.340 -0.976 0.000 0.275 475 L C 0.870 177.785 176.870 0.074 0.000 1.099 475 L CA -0.735 54.184 54.840 0.132 0.000 0.808 475 L CB 0.666 42.828 42.059 0.172 0.000 1.149 475 L HN 0.612 nan 8.230 nan 0.000 0.442 476 A N 1.555 124.377 122.820 0.004 0.000 2.327 476 A HA 0.231 3.965 4.320 -0.976 0.000 0.255 476 A C 1.112 178.671 177.584 -0.041 0.000 1.099 476 A CA 0.128 52.133 52.037 -0.054 0.000 0.801 476 A CB 0.302 19.251 19.000 -0.085 0.000 1.062 476 A HN 0.861 nan 8.150 nan 0.000 0.496 477 S N -0.873 114.737 115.700 -0.151 0.000 2.607 477 S HA 0.045 3.929 4.470 -0.976 0.000 0.224 477 S C 0.378 175.037 174.600 0.099 0.000 0.969 477 S CA 0.840 58.943 58.200 -0.160 0.000 0.927 477 S CB -0.185 62.611 63.200 -0.674 0.000 0.772 477 S HN 0.746 nan 8.310 nan 0.000 0.533 478 E N 3.137 123.316 120.200 -0.035 0.000 2.063 478 E HA 0.304 4.068 4.350 -0.976 0.000 0.265 478 E C -2.707 173.767 176.600 -0.211 0.000 0.919 478 E CA -2.636 53.716 56.400 -0.080 0.000 0.756 478 E CB 1.118 30.777 29.700 -0.067 0.000 1.120 478 E HN 0.058 nan 8.360 nan 0.000 0.414 479 P HA 0.061 nan 4.420 nan 0.000 0.220 479 P C -0.426 176.721 177.300 -0.255 0.000 1.806 479 P CA -0.264 62.551 63.100 -0.476 0.000 0.976 479 P CB 0.047 31.126 31.700 -1.034 0.000 1.952 480 S N 1.471 117.059 115.700 -0.187 0.000 2.537 480 S HA 0.023 3.907 4.470 -0.976 0.000 0.286 480 S C 1.277 175.787 174.600 -0.150 0.000 1.299 480 S CA -0.154 57.956 58.200 -0.149 0.000 1.067 480 S CB 0.263 63.369 63.200 -0.158 0.000 0.864 480 S HN 0.193 nan 8.310 nan 0.000 0.494 481 Q N 3.063 122.783 119.800 -0.133 0.000 2.384 481 Q HA 0.070 3.824 4.340 -0.976 0.000 0.207 481 Q C 1.816 177.757 176.000 -0.099 0.000 0.904 481 Q CA 0.362 56.127 55.803 -0.063 0.000 0.933 481 Q CB -0.009 28.667 28.738 -0.103 0.000 1.077 481 Q HN 0.754 nan 8.270 nan 0.000 0.522 482 Q N 0.786 120.493 119.800 -0.155 0.000 2.084 482 Q HA -0.158 3.596 4.340 -0.976 0.000 0.202 482 Q C 1.142 177.032 176.000 -0.182 0.000 0.978 482 Q CA 1.305 57.025 55.803 -0.139 0.000 0.844 482 Q CB -0.060 28.601 28.738 -0.128 0.000 0.898 482 Q HN 0.314 nan 8.270 nan 0.000 0.426 483 D N -0.176 120.079 120.400 -0.243 0.000 2.355 483 D HA 0.019 4.073 4.640 -0.976 0.000 0.218 483 D C 1.561 177.613 176.300 -0.413 0.000 1.004 483 D CA 0.248 54.062 54.000 -0.309 0.000 0.880 483 D CB 0.196 40.813 40.800 -0.305 0.000 0.911 483 D HN 0.168 nan 8.370 nan 0.000 0.528 484 L N -1.548 119.365 121.223 -0.517 0.000 2.388 484 L HA 0.162 3.917 4.340 -0.976 0.000 0.209 484 L C 0.818 177.165 176.870 -0.871 0.000 1.061 484 L CA 0.313 54.610 54.840 -0.904 0.000 0.834 484 L CB 0.163 41.366 42.059 -1.426 0.000 1.029 484 L HN -0.086 nan 8.230 nan 0.000 0.473 485 F N -0.872 119.023 119.950 -0.092 0.000 2.856 485 F HA 0.179 4.120 4.527 -0.976 0.000 0.338 485 F C 1.393 177.107 175.800 -0.143 0.000 1.100 485 F CA -0.766 57.220 58.000 -0.024 0.000 1.150 485 F CB -0.004 39.158 39.000 0.271 0.000 1.101 485 F HN -0.138 nan 8.300 nan 0.000 0.548 486 S N 0.560 116.246 115.700 -0.024 0.000 2.608 486 S HA 0.510 4.394 4.470 -0.976 0.000 0.261 486 S C 1.568 176.091 174.600 -0.127 0.000 1.314 486 S CA -0.063 58.106 58.200 -0.052 0.000 0.992 486 S CB 1.487 64.653 63.200 -0.056 0.000 0.935 486 S HN 0.185 nan 8.310 nan 0.000 0.564 487 A N 1.043 123.809 122.820 -0.090 0.000 2.019 487 A HA 0.236 3.970 4.320 -0.976 0.000 0.219 487 A C 2.133 179.711 177.584 -0.010 0.000 1.164 487 A CA 1.415 53.400 52.037 -0.087 0.000 0.644 487 A CB -1.324 17.647 19.000 -0.049 0.000 0.805 487 A HN 1.346 nan 8.150 nan 0.000 0.449 488 A N -0.978 121.844 122.820 0.003 0.000 2.275 488 A HA 0.617 4.351 4.320 -0.976 0.000 0.212 488 A C 1.194 178.836 177.584 0.098 0.000 1.201 488 A CA 0.603 52.686 52.037 0.077 0.000 0.843 488 A CB -0.518 18.498 19.000 0.027 0.000 0.873 488 A HN 0.863 nan 8.150 nan 0.000 0.492 489 A N 0.816 123.611 122.820 -0.043 0.000 2.362 489 A HA 0.562 4.297 4.320 -0.976 0.000 0.276 489 A C -1.380 175.985 177.584 -0.365 0.000 1.153 489 A CA -1.305 50.617 52.037 -0.193 0.000 0.813 489 A CB 0.318 19.176 19.000 -0.236 0.000 1.081 489 A HN 0.138 nan 8.150 nan 0.000 0.507 490 P HA -0.125 nan 4.420 nan 0.000 0.222 490 P C 0.486 177.656 177.300 -0.218 0.000 1.147 490 P CA 1.145 63.777 63.100 -0.780 0.000 0.790 490 P CB 0.053 31.430 31.700 -0.537 0.000 0.780 491 Y N -1.001 119.095 120.300 -0.340 0.000 2.529 491 Y HA 0.099 4.062 4.550 -0.978 0.000 0.290 491 Y C 1.089 176.537 175.900 -0.752 0.000 1.177 491 Y CA -0.723 57.104 58.100 -0.456 0.000 1.305 491 Y CB -1.493 36.705 38.460 -0.437 0.000 1.047 491 Y HN -0.007 nan 8.280 nan 0.000 0.522 492 N N 1.118 119.646 118.700 -0.287 0.000 2.819 492 N HA -0.062 4.092 4.740 -0.976 0.000 0.284 492 N C 0.505 175.920 175.510 -0.158 0.000 1.196 492 N CA 0.102 53.036 53.050 -0.193 0.000 1.114 492 N CB -0.638 37.733 38.487 -0.193 0.000 1.437 492 N HN -0.079 nan 8.380 nan 0.000 0.518 493 F N 0.406 120.294 119.950 -0.104 0.000 2.216 493 F HA 0.057 3.997 4.527 -0.978 0.000 0.300 493 F C 2.330 177.915 175.800 -0.358 0.000 1.085 493 F CA 1.009 58.813 58.000 -0.327 0.000 1.326 493 F CB -0.740 37.928 39.000 -0.555 0.000 1.027 493 F HN 0.497 nan 8.300 nan 0.000 0.497 494 G N -2.559 106.342 108.800 0.168 0.000 2.986 494 G HA2 -0.017 3.358 3.960 -0.976 0.000 0.213 494 G HA3 -0.017 3.358 3.960 -0.976 0.000 0.213 494 G C -0.076 174.870 174.900 0.077 0.000 1.156 494 G CA 0.176 45.397 45.100 0.202 0.000 0.763 494 G HN 0.527 nan 8.290 nan 0.000 0.547 495 H N -0.976 118.232 119.070 0.231 0.000 2.880 495 H HA -0.172 3.798 4.556 -0.976 0.000 0.304 495 H C 0.231 175.559 175.328 -0.000 0.000 1.259 495 H CA 0.845 56.931 56.048 0.064 0.000 1.153 495 H CB -2.670 27.138 29.762 0.075 0.000 1.395 495 H HN 0.610 nan 8.280 nan 0.000 0.420 496 F N 0.079 120.046 119.950 0.028 0.000 2.406 496 F HA 0.574 4.515 4.527 -0.977 0.000 0.327 496 F C 0.418 176.121 175.800 -0.163 0.000 1.153 496 F CA -0.968 56.901 58.000 -0.219 0.000 1.218 496 F CB 0.867 39.481 39.000 -0.643 0.000 1.215 496 F HN 0.069 nan 8.300 nan 0.000 0.570 497 N N 1.956 120.643 118.700 -0.021 0.000 2.571 497 N HA 0.167 4.322 4.740 -0.976 0.000 0.286 497 N C -2.549 173.009 175.510 0.079 0.000 1.138 497 N CA -0.379 52.661 53.050 -0.017 0.000 0.859 497 N CB 1.231 39.692 38.487 -0.044 0.000 1.414 497 N HN 0.903 nan 8.380 nan 0.000 0.529 498 D N 2.063 122.570 120.400 0.178 0.000 2.788 498 D HA 0.271 4.325 4.640 -0.976 0.000 0.247 498 D C 0.165 176.572 176.300 0.178 0.000 1.236 498 D CA -0.248 53.880 54.000 0.214 0.000 0.898 498 D CB 1.793 42.811 40.800 0.364 0.000 1.401 498 D HN 0.329 nan 8.370 nan 0.000 0.549 499 S N 2.627 118.403 115.700 0.126 0.000 2.383 499 S HA -0.176 3.709 4.470 -0.976 0.000 0.229 499 S C 1.544 176.205 174.600 0.102 0.000 1.030 499 S CA 1.035 59.292 58.200 0.095 0.000 1.002 499 S CB 0.086 63.328 63.200 0.070 0.000 0.829 499 S HN 0.693 nan 8.310 nan 0.000 0.467 500 E N 0.651 120.920 120.200 0.116 0.000 2.072 500 E HA -0.122 3.642 4.350 -0.976 0.000 0.191 500 E C 1.782 178.461 176.600 0.132 0.000 0.985 500 E CA 0.938 57.400 56.400 0.103 0.000 0.801 500 E CB -0.010 29.742 29.700 0.088 0.000 0.750 500 E HN 0.322 nan 8.360 nan 0.000 0.452 501 I N 1.257 121.943 120.570 0.193 0.000 2.252 501 I HA -0.181 3.403 4.170 -0.976 0.000 0.245 501 I C 2.366 178.616 176.117 0.222 0.000 1.102 501 I CA 1.178 62.635 61.300 0.261 0.000 1.385 501 I CB -1.520 36.723 38.000 0.405 0.000 1.064 501 I HN 0.157 nan 8.210 nan 0.000 0.414 502 T N 1.134 115.790 114.554 0.170 0.000 2.684 502 T HA -0.200 3.564 4.350 -0.976 0.000 0.267 502 T C 2.048 176.784 174.700 0.060 0.000 1.036 502 T CA 1.400 63.559 62.100 0.098 0.000 1.148 502 T CB -0.111 68.800 68.868 0.071 0.000 0.863 502 T HN 0.144 nan 8.240 nan 0.000 0.436 503 K N 1.312 121.751 120.400 0.065 0.000 2.032 503 K HA -0.165 3.570 4.320 -0.976 0.000 0.209 503 K C 1.763 178.382 176.600 0.032 0.000 1.048 503 K CA 1.718 58.031 56.287 0.043 0.000 0.927 503 K CB -0.637 31.893 32.500 0.049 0.000 0.712 503 K HN 0.267 nan 8.250 nan 0.000 0.441 504 D N 0.781 121.218 120.400 0.062 0.000 2.097 504 D HA -0.132 3.923 4.640 -0.976 0.000 0.195 504 D C 2.156 178.428 176.300 -0.047 0.000 0.989 504 D CA 0.925 54.959 54.000 0.057 0.000 0.827 504 D CB -0.219 40.695 40.800 0.191 0.000 0.966 504 D HN 0.193 nan 8.370 nan 0.000 0.456 505 L N 0.765 121.958 121.223 -0.050 0.000 2.046 505 L HA -0.167 3.587 4.340 -0.976 0.000 0.208 505 L C 2.056 178.823 176.870 -0.171 0.000 1.077 505 L CA 0.890 55.614 54.840 -0.193 0.000 0.747 505 L CB -0.412 41.580 42.059 -0.111 0.000 0.896 505 L HN -0.019 nan 8.230 nan 0.000 0.432 506 N N -0.183 118.465 118.700 -0.086 0.000 2.166 506 N HA -0.211 3.943 4.740 -0.976 0.000 0.186 506 N C 1.529 176.993 175.510 -0.076 0.000 1.019 506 N CA 1.386 54.393 53.050 -0.073 0.000 0.856 506 N CB -0.394 38.072 38.487 -0.033 0.000 0.993 506 N HN 0.288 nan 8.380 nan 0.000 0.426 507 D N 0.675 121.039 120.400 -0.061 0.000 2.144 507 D HA 0.013 4.068 4.640 -0.976 0.000 0.200 507 D C 1.972 178.239 176.300 -0.056 0.000 0.978 507 D CA 0.432 54.428 54.000 -0.008 0.000 0.833 507 D CB -0.108 40.700 40.800 0.014 0.000 0.961 507 D HN 0.204 nan 8.370 nan 0.000 0.470 508 I N 0.363 120.795 120.570 -0.231 0.000 2.264 508 I HA -0.211 3.374 4.170 -0.976 0.000 0.248 508 I C 0.946 176.883 176.117 -0.299 0.000 1.111 508 I CA 1.164 62.201 61.300 -0.437 0.000 1.382 508 I CB -0.042 37.451 38.000 -0.845 0.000 1.060 508 I HN -0.047 nan 8.210 nan 0.000 0.418 509 D N 0.233 120.505 120.400 -0.214 0.000 2.388 509 D HA 0.084 4.139 4.640 -0.976 0.000 0.221 509 D C 0.794 177.030 176.300 -0.108 0.000 1.133 509 D CA 0.150 54.057 54.000 -0.155 0.000 0.831 509 D CB 0.178 40.891 40.800 -0.144 0.000 0.962 509 D HN 0.254 nan 8.370 nan 0.000 0.502 510 S N -0.560 115.095 115.700 -0.076 0.000 2.645 510 S HA 0.482 4.366 4.470 -0.976 0.000 0.266 510 S C 1.587 176.135 174.600 -0.087 0.000 1.258 510 S CA -0.198 57.962 58.200 -0.066 0.000 0.990 510 S CB 2.047 65.227 63.200 -0.033 0.000 0.967 510 S HN 0.013 nan 8.310 nan 0.000 0.556 511 A N 1.190 123.949 122.820 -0.102 0.000 1.972 511 A HA -0.061 3.673 4.320 -0.976 0.000 0.219 511 A C 2.144 179.631 177.584 -0.160 0.000 1.169 511 A CA 1.417 53.387 52.037 -0.112 0.000 0.635 511 A CB -0.840 18.102 19.000 -0.098 0.000 0.810 511 A HN 0.900 nan 8.150 nan 0.000 0.446 512 K N -0.033 120.209 120.400 -0.263 0.000 2.147 512 K HA -0.060 3.674 4.320 -0.976 0.000 0.205 512 K C 1.731 178.059 176.600 -0.453 0.000 1.049 512 K CA 1.332 57.291 56.287 -0.547 0.000 0.936 512 K CB -0.151 31.716 32.500 -1.055 0.000 0.722 512 K HN 0.379 nan 8.250 nan 0.000 0.446 513 S N 1.232 116.857 115.700 -0.125 0.000 2.603 513 S HA -0.033 3.852 4.470 -0.976 0.000 0.229 513 S C 1.043 175.689 174.600 0.077 0.000 0.972 513 S CA 0.511 58.790 58.200 0.131 0.000 0.935 513 S CB -0.112 63.165 63.200 0.129 0.000 0.769 513 S HN 0.306 nan 8.310 nan 0.000 0.536 514 E N 1.731 121.932 120.200 0.001 0.000 2.265 514 E HA -0.057 3.707 4.350 -0.976 0.000 0.196 514 E C 0.892 177.527 176.600 0.058 0.000 0.996 514 E CA 0.283 56.697 56.400 0.023 0.000 0.832 514 E CB 0.028 29.719 29.700 -0.016 0.000 0.756 514 E HN 0.340 nan 8.360 nan 0.000 0.491 515 N N 1.031 119.764 118.700 0.056 0.000 2.430 515 N HA 0.009 4.163 4.740 -0.976 0.000 0.265 515 N C -2.089 173.524 175.510 0.172 0.000 1.100 515 N CA -1.566 51.541 53.050 0.096 0.000 0.961 515 N CB 1.261 39.795 38.487 0.079 0.000 1.075 515 N HN -0.209 nan 8.380 nan 0.000 0.478 516 P HA -0.059 nan 4.420 nan 0.000 0.216 516 P C 1.058 178.475 177.300 0.195 0.000 1.150 516 P CA 1.322 64.535 63.100 0.188 0.000 0.837 516 P CB 0.281 32.054 31.700 0.123 0.000 0.786 517 T N -1.643 113.006 114.554 0.158 0.000 2.777 517 T HA -0.190 3.574 4.350 -0.976 0.000 0.266 517 T C 1.625 176.428 174.700 0.170 0.000 1.040 517 T CA 1.122 63.306 62.100 0.141 0.000 1.141 517 T CB -1.103 67.830 68.868 0.108 0.000 0.868 517 T HN 0.087 nan 8.240 nan 0.000 0.444 518 Y N 1.876 122.224 120.300 0.080 0.000 2.128 518 Y HA -0.166 3.798 4.550 -0.977 0.000 0.284 518 Y C 2.747 178.700 175.900 0.088 0.000 1.154 518 Y CA 1.614 59.755 58.100 0.068 0.000 1.149 518 Y CB -0.114 38.371 38.460 0.042 0.000 0.976 518 Y HN -0.037 nan 8.280 nan 0.000 0.505 519 R N 0.583 121.276 120.500 0.321 0.000 2.081 519 R HA -0.205 3.549 4.340 -0.976 0.000 0.235 519 R C 2.449 178.942 176.300 0.321 0.000 1.131 519 R CA 1.898 58.160 56.100 0.271 0.000 0.960 519 R CB -0.275 30.231 30.300 0.345 0.000 0.856 519 R HN 0.330 nan 8.270 nan 0.000 0.436 520 K N -0.090 120.523 120.400 0.355 0.000 2.032 520 K HA -0.140 3.594 4.320 -0.976 0.000 0.209 520 K C 1.921 178.655 176.600 0.224 0.000 1.048 520 K CA 1.570 58.077 56.287 0.366 0.000 0.927 520 K CB -0.218 32.417 32.500 0.226 0.000 0.712 520 K HN 0.236 nan 8.250 nan 0.000 0.441 521 A N 0.979 123.846 122.820 0.078 0.000 1.908 521 A HA -0.149 3.585 4.320 -0.976 0.000 0.218 521 A C 2.334 179.884 177.584 -0.056 0.000 1.181 521 A CA 2.036 54.061 52.037 -0.020 0.000 0.627 521 A CB -0.888 18.036 19.000 -0.126 0.000 0.818 521 A HN 0.528 nan 8.150 nan 0.000 0.445 522 A N -1.331 121.408 122.820 -0.136 0.000 1.898 522 A HA 0.030 3.764 4.320 -0.976 0.000 0.216 522 A C 1.945 179.502 177.584 -0.044 0.000 1.181 522 A CA 1.479 53.418 52.037 -0.162 0.000 0.620 522 A CB -0.715 18.136 19.000 -0.247 0.000 0.819 522 A HN 0.438 nan 8.150 nan 0.000 0.442 523 F N -0.076 119.890 119.950 0.027 0.000 2.134 523 F HA -0.155 3.787 4.527 -0.976 0.000 0.299 523 F C 2.491 178.386 175.800 0.159 0.000 1.097 523 F CA 1.563 59.620 58.000 0.096 0.000 1.264 523 F CB -0.541 38.511 39.000 0.088 0.000 1.001 523 F HN 0.030 nan 8.300 nan 0.000 0.479 524 V N 0.005 120.095 119.914 0.293 0.000 2.295 524 V HA -0.320 3.214 4.120 -0.976 0.000 0.246 524 V C 2.444 178.605 176.094 0.112 0.000 1.049 524 V CA 2.108 64.514 62.300 0.177 0.000 1.024 524 V CB -0.628 31.266 31.823 0.119 0.000 0.648 524 V HN 0.255 nan 8.190 nan 0.000 0.447 525 K N -0.629 119.820 120.400 0.081 0.000 2.032 525 K HA -0.278 3.456 4.320 -0.976 0.000 0.209 525 K C 2.290 178.926 176.600 0.061 0.000 1.048 525 K CA 2.276 58.590 56.287 0.044 0.000 0.927 525 K CB -0.466 32.042 32.500 0.014 0.000 0.712 525 K HN 0.535 nan 8.250 nan 0.000 0.441 526 Y N 1.721 122.017 120.300 -0.008 0.000 2.114 526 Y HA -0.302 3.662 4.550 -0.976 0.000 0.282 526 Y C 2.068 177.971 175.900 0.004 0.000 1.165 526 Y CA 2.157 60.254 58.100 -0.006 0.000 1.148 526 Y CB -0.384 38.063 38.460 -0.021 0.000 0.972 526 Y HN 0.230 nan 8.280 nan 0.000 0.504 527 Q N 0.008 119.703 119.800 -0.175 0.000 2.084 527 Q HA -0.196 3.558 4.340 -0.976 0.000 0.202 527 Q C 2.175 178.062 176.000 -0.188 0.000 0.978 527 Q CA 1.891 57.547 55.803 -0.246 0.000 0.844 527 Q CB -0.176 28.567 28.738 0.007 0.000 0.898 527 Q HN 0.655 nan 8.270 nan 0.000 0.426 528 E N 0.658 120.801 120.200 -0.095 0.000 2.051 528 E HA -0.198 3.567 4.350 -0.976 0.000 0.192 528 E C 1.602 178.130 176.600 -0.120 0.000 0.991 528 E CA 1.261 57.612 56.400 -0.081 0.000 0.799 528 E CB 0.020 29.697 29.700 -0.039 0.000 0.748 528 E HN 0.314 nan 8.360 nan 0.000 0.449 529 D N 0.123 120.444 120.400 -0.132 0.000 2.117 529 D HA -0.131 3.924 4.640 -0.976 0.000 0.197 529 D C 1.919 178.084 176.300 -0.224 0.000 0.987 529 D CA 0.935 54.855 54.000 -0.135 0.000 0.829 529 D CB -0.080 40.676 40.800 -0.073 0.000 0.961 529 D HN 0.106 nan 8.370 nan 0.000 0.460 530 M N 0.578 119.973 119.600 -0.341 0.000 2.117 530 M HA -0.114 3.780 4.480 -0.976 0.000 0.262 530 M C 1.630 177.740 176.300 -0.318 0.000 1.065 530 M CA 1.017 56.066 55.300 -0.419 0.000 1.114 530 M CB -0.875 31.350 32.600 -0.624 0.000 1.361 530 M HN -0.002 nan 8.290 nan 0.000 0.408 531 N N 0.491 119.065 118.700 -0.209 0.000 2.120 531 N HA -0.143 4.011 4.740 -0.976 0.000 0.188 531 N C 1.657 177.156 175.510 -0.019 0.000 1.024 531 N CA 1.058 54.078 53.050 -0.051 0.000 0.852 531 N CB -0.361 38.100 38.487 -0.042 0.000 1.003 531 N HN 0.403 nan 8.380 nan 0.000 0.424 532 K N 1.176 121.517 120.400 -0.098 0.000 2.001 532 K HA -0.071 3.663 4.320 -0.976 0.000 0.208 532 K C 1.513 178.017 176.600 -0.160 0.000 1.048 532 K CA 1.004 57.241 56.287 -0.083 0.000 0.932 532 K CB 0.136 32.587 32.500 -0.082 0.000 0.715 532 K HN -0.038 nan 8.250 nan 0.000 0.437 533 K N -0.079 120.137 120.400 -0.307 0.000 2.097 533 K HA -0.091 3.643 4.320 -0.976 0.000 0.206 533 K C 1.093 177.287 176.600 -0.676 0.000 1.049 533 K CA 1.088 57.019 56.287 -0.593 0.000 0.933 533 K CB -0.331 31.621 32.500 -0.914 0.000 0.717 533 K HN 0.405 nan 8.250 nan 0.000 0.442 534 A N 0.482 123.005 122.820 -0.494 0.000 2.872 534 A HA -0.211 3.523 4.320 -0.976 0.000 0.273 534 A C 0.665 178.124 177.584 -0.208 0.000 1.442 534 A CA 1.037 52.883 52.037 -0.319 0.000 0.801 534 A CB -2.544 16.332 19.000 -0.206 0.000 1.031 534 A HN 0.319 nan 8.150 nan 0.000 0.582 535 Y N -0.931 119.242 120.300 -0.212 0.000 2.224 535 Y HA 0.156 4.120 4.550 -0.977 0.000 0.289 535 Y C 1.593 177.441 175.900 -0.087 0.000 1.146 535 Y CA 1.703 59.711 58.100 -0.153 0.000 1.182 535 Y CB -0.418 37.643 38.460 -0.666 0.000 0.983 535 Y HN 1.003 nan 8.280 nan 0.000 0.524 536 V N -2.325 117.486 119.914 -0.171 0.000 3.040 536 V HA 0.604 4.139 4.120 -0.976 0.000 0.312 536 V C -0.790 175.067 176.094 -0.395 0.000 1.115 536 V CA -1.418 60.679 62.300 -0.338 0.000 0.998 536 V CB 2.934 34.526 31.823 -0.385 0.000 1.042 536 V HN -0.125 nan 8.190 nan 0.000 0.433 537 I N 2.380 122.687 120.570 -0.438 0.000 2.447 537 I HA 0.534 4.118 4.170 -0.976 0.000 0.287 537 I C -2.721 173.248 176.117 -0.247 0.000 1.023 537 I CA -2.246 58.814 61.300 -0.400 0.000 1.083 537 I CB 1.746 39.424 38.000 -0.537 0.000 1.245 537 I HN 0.499 nan 8.210 nan 0.000 0.434 538 P HA 0.221 nan 4.420 nan 0.000 0.268 538 P C 0.280 177.517 177.300 -0.105 0.000 1.205 538 P CA 0.229 63.272 63.100 -0.095 0.000 0.771 538 P CB 1.131 32.794 31.700 -0.063 0.000 0.858 539 T N 0.792 115.294 114.554 -0.086 0.000 3.391 539 T HA 0.142 3.906 4.350 -0.976 0.000 0.233 539 T C 0.171 174.820 174.700 -0.084 0.000 0.960 539 T CA 0.461 62.524 62.100 -0.061 0.000 1.342 539 T CB -0.230 68.639 68.868 0.002 0.000 1.124 539 T HN 0.384 nan 8.240 nan 0.000 0.396 540 N N -0.207 118.481 118.700 -0.019 0.000 2.229 540 N HA 0.586 4.740 4.740 -0.976 0.000 0.298 540 N C -1.669 173.928 175.510 0.145 0.000 1.114 540 N CA -0.619 52.438 53.050 0.012 0.000 0.776 540 N CB 1.878 40.467 38.487 0.169 0.000 1.501 540 N HN 0.025 nan 8.380 nan 0.000 0.474 541 F N 1.349 121.448 119.950 0.249 0.000 2.411 541 F HA 0.584 4.526 4.527 -0.976 0.000 0.324 541 F C 0.607 176.527 175.800 0.200 0.000 1.086 541 F CA -0.972 57.201 58.000 0.288 0.000 1.028 541 F CB 0.774 39.889 39.000 0.190 0.000 1.284 541 F HN 0.302 nan 8.300 nan 0.000 0.501 542 M N 1.108 120.909 119.600 0.335 0.000 2.631 542 M HA 0.725 4.619 4.480 -0.976 0.000 0.288 542 M C -2.304 174.016 176.300 0.033 0.000 1.260 542 M CA -0.652 54.668 55.300 0.033 0.000 0.842 542 M CB 2.783 35.161 32.600 -0.370 0.000 1.743 542 M HN 0.429 nan 8.290 nan 0.000 0.461 543 L N 2.274 123.478 121.223 -0.032 0.000 2.346 543 L HA 0.572 4.326 4.340 -0.976 0.000 0.274 543 L C -0.707 176.081 176.870 -0.137 0.000 1.007 543 L CA -0.992 53.802 54.840 -0.078 0.000 0.818 543 L CB 1.996 43.998 42.059 -0.095 0.000 1.284 543 L HN 0.752 nan 8.230 nan 0.000 0.424 544 N N 1.394 120.000 118.700 -0.157 0.000 2.456 544 N HA 0.446 4.600 4.740 -0.976 0.000 0.296 544 N C -1.174 174.184 175.510 -0.252 0.000 1.102 544 N CA -0.334 52.609 53.050 -0.179 0.000 0.924 544 N CB 1.965 40.364 38.487 -0.147 0.000 1.186 544 N HN 0.436 nan 8.380 nan 0.000 0.492 545 Y N -2.050 118.050 120.300 -0.333 0.000 2.524 545 Y HA 0.736 4.706 4.550 -0.968 0.000 0.344 545 Y C -0.805 174.989 175.900 -0.177 0.000 1.012 545 Y CA -0.851 57.036 58.100 -0.355 0.000 1.068 545 Y CB 1.497 39.742 38.460 -0.357 0.000 1.249 545 Y HN 0.204 nan 8.280 nan 0.000 0.468 546 T N 4.524 119.048 114.554 -0.051 0.000 3.031 546 T HA 0.357 4.121 4.350 -0.976 0.000 0.305 546 T C -3.108 171.638 174.700 0.075 0.000 0.985 546 T CA -1.362 60.693 62.100 -0.074 0.000 1.008 546 T CB 1.639 70.451 68.868 -0.093 0.000 1.005 546 T HN 0.480 nan 8.240 nan 0.000 0.444 547 P HA 0.431 nan 4.420 nan 0.000 0.275 547 P C -1.010 176.402 177.300 0.185 0.000 1.227 547 P CA -0.414 62.764 63.100 0.130 0.000 0.781 547 P CB 1.039 32.730 31.700 -0.016 0.000 0.906 548 V N 3.306 123.371 119.914 0.252 0.000 2.525 548 V HA 0.240 3.775 4.120 -0.976 0.000 0.299 548 V C 0.517 176.641 176.094 0.049 0.000 1.034 548 V CA -0.947 61.454 62.300 0.167 0.000 0.863 548 V CB 1.461 33.324 31.823 0.066 0.000 0.999 548 V HN 0.621 nan 8.190 nan 0.000 0.423 549 N N 3.703 122.365 118.700 -0.063 0.000 2.412 549 N HA 0.041 4.195 4.740 -0.976 0.000 0.254 549 N C 1.013 176.366 175.510 -0.263 0.000 1.232 549 N CA 0.226 52.969 53.050 -0.512 0.000 0.880 549 N CB 0.946 39.239 38.487 -0.323 0.000 1.076 549 N HN 0.634 nan 8.380 nan 0.000 0.458 550 K N 2.209 122.414 120.400 -0.326 0.000 2.442 550 K HA -0.147 3.587 4.320 -0.976 0.000 0.198 550 K C 1.684 178.372 176.600 0.147 0.000 1.044 550 K CA 0.826 57.052 56.287 -0.101 0.000 0.948 550 K CB 0.076 32.504 32.500 -0.120 0.000 0.762 550 K HN 0.616 nan 8.250 nan 0.000 0.472 551 R N 0.292 120.811 120.500 0.033 0.000 2.236 551 R HA 0.026 3.780 4.340 -0.976 0.000 0.208 551 R C 0.238 176.585 176.300 0.078 0.000 1.036 551 R CA 0.216 56.345 56.100 0.048 0.000 1.001 551 R CB -0.122 30.177 30.300 -0.001 0.000 0.896 551 R HN -0.167 nan 8.270 nan 0.000 0.464 552 V N 2.373 122.368 119.914 0.136 0.000 2.637 552 V HA 0.127 3.661 4.120 -0.976 0.000 0.296 552 V C 0.118 176.239 176.094 0.045 0.000 1.046 552 V CA -0.313 62.049 62.300 0.103 0.000 1.066 552 V CB 1.535 33.433 31.823 0.125 0.000 0.968 552 V HN 0.016 nan 8.190 nan 0.000 0.483 553 V N 3.622 123.519 119.914 -0.029 0.000 2.495 553 V HA 0.759 4.293 4.120 -0.976 0.000 0.298 553 V C 0.948 176.986 176.094 -0.093 0.000 1.031 553 V CA 0.373 62.607 62.300 -0.111 0.000 0.871 553 V CB 0.955 32.728 31.823 -0.084 0.000 0.988 553 V HN 1.168 nan 8.190 nan 0.000 0.432 554 G N 4.024 112.744 108.800 -0.134 0.000 2.143 554 G HA2 -0.250 3.124 3.960 -0.976 0.000 0.248 554 G HA3 -0.250 3.124 3.960 -0.976 0.000 0.248 554 G C -0.101 174.733 174.900 -0.110 0.000 0.991 554 G CA 0.350 45.383 45.100 -0.111 0.000 0.689 554 G HN 0.697 nan 8.290 nan 0.000 0.522 555 M N 1.475 121.026 119.600 -0.082 0.000 2.217 555 M HA 0.692 4.586 4.480 -0.976 0.000 0.354 555 M C 0.294 176.553 176.300 -0.068 0.000 1.225 555 M CA 0.125 55.379 55.300 -0.078 0.000 1.137 555 M CB 1.166 33.767 32.600 0.001 0.000 1.576 555 M HN 0.461 nan 8.290 nan 0.000 0.461 556 T N 4.534 119.014 114.554 -0.124 0.000 2.942 556 T HA 0.480 4.244 4.350 -0.976 0.000 0.327 556 T C 0.057 174.653 174.700 -0.172 0.000 1.360 556 T CA -0.748 61.280 62.100 -0.120 0.000 1.055 556 T CB 0.681 69.476 68.868 -0.122 0.000 1.261 556 T HN 0.689 nan 8.240 nan 0.000 0.485 557 L N 1.790 122.904 121.223 -0.181 0.000 2.592 557 L HA 0.285 4.039 4.340 -0.976 0.000 0.227 557 L C 0.712 177.352 176.870 -0.383 0.000 1.127 557 L CA -0.125 54.553 54.840 -0.271 0.000 0.884 557 L CB -0.055 41.845 42.059 -0.266 0.000 1.065 557 L HN 0.645 nan 8.230 nan 0.000 0.457 558 D N -0.259 119.978 120.400 -0.271 0.000 2.520 558 D HA -0.156 3.899 4.640 -0.976 0.000 0.243 558 D C 0.824 176.988 176.300 -0.227 0.000 1.160 558 D CA 0.470 54.323 54.000 -0.245 0.000 0.877 558 D CB 0.599 41.307 40.800 -0.152 0.000 1.150 558 D HN 0.043 nan 8.370 nan 0.000 0.494 559 Y N 2.009 122.217 120.300 -0.152 0.000 2.497 559 Y HA 0.068 4.028 4.550 -0.984 0.000 0.292 559 Y C 2.449 178.234 175.900 -0.192 0.000 1.137 559 Y CA 1.062 59.065 58.100 -0.162 0.000 1.285 559 Y CB 0.009 38.280 38.460 -0.316 0.000 0.991 559 Y HN 0.577 nan 8.280 nan 0.000 0.556 560 G N -0.530 108.231 108.800 -0.065 0.000 2.920 560 G HA2 0.187 3.561 3.960 -0.976 0.000 0.208 560 G HA3 0.187 3.561 3.960 -0.976 0.000 0.208 560 G C 0.501 175.339 174.900 -0.103 0.000 1.159 560 G CA 0.270 45.316 45.100 -0.090 0.000 0.784 560 G HN 0.331 nan 8.290 nan 0.000 0.535 561 A N 0.920 123.670 122.820 -0.116 0.000 2.376 561 A HA 0.591 4.325 4.320 -0.976 0.000 0.298 561 A C 1.217 178.683 177.584 -0.196 0.000 1.271 561 A CA -0.238 51.710 52.037 -0.148 0.000 0.926 561 A CB 0.226 19.133 19.000 -0.155 0.000 1.141 561 A HN 0.147 nan 8.150 nan 0.000 0.539 562 M N 1.269 120.693 119.600 -0.293 0.000 2.465 562 M HA 0.095 3.989 4.480 -0.976 0.000 0.249 562 M C 0.318 176.410 176.300 -0.346 0.000 1.130 562 M CA 0.628 55.606 55.300 -0.537 0.000 1.067 562 M CB -0.374 31.419 32.600 -1.345 0.000 1.394 562 M HN 0.672 nan 8.290 nan 0.000 0.483 563 N N 0.057 118.650 118.700 -0.178 0.000 2.416 563 N HA 0.147 4.301 4.740 -0.976 0.000 0.267 563 N C 0.741 176.209 175.510 -0.070 0.000 1.294 563 N CA 0.125 53.152 53.050 -0.039 0.000 0.891 563 N CB 0.607 39.112 38.487 0.031 0.000 1.238 563 N HN 0.122 nan 8.380 nan 0.000 0.508 564 T N -0.709 113.730 114.554 -0.191 0.000 2.788 564 T HA -0.122 3.643 4.350 -0.976 0.000 0.268 564 T C 1.470 176.012 174.700 -0.264 0.000 1.044 564 T CA 1.184 63.102 62.100 -0.303 0.000 1.139 564 T CB -0.127 68.446 68.868 -0.491 0.000 0.867 564 T HN 0.461 nan 8.240 nan 0.000 0.454 565 W N 1.433 122.733 121.300 0.001 0.000 2.425 565 W HA -0.023 4.080 4.660 -0.928 0.000 0.277 565 W C 2.722 179.320 176.519 0.132 0.000 1.231 565 W CA 0.221 57.600 57.345 0.056 0.000 1.248 565 W CB -0.283 29.210 29.460 0.055 0.000 1.117 565 W HN 0.148 nan 8.180 nan 0.000 0.568 566 S N -0.217 115.603 115.700 0.200 0.000 2.458 566 S HA -0.074 3.811 4.470 -0.976 0.000 0.223 566 S C 1.346 175.988 174.600 0.070 0.000 1.019 566 S CA 0.850 59.106 58.200 0.093 0.000 0.937 566 S CB -0.088 63.132 63.200 0.032 0.000 0.788 566 S HN 0.330 nan 8.310 nan 0.000 0.511 567 E N 0.644 120.866 120.200 0.036 0.000 2.190 567 E HA 0.173 3.938 4.350 -0.976 0.000 0.191 567 E C 0.595 177.196 176.600 0.002 0.000 0.978 567 E CA -0.028 56.374 56.400 0.002 0.000 0.839 567 E CB 0.169 29.848 29.700 -0.035 0.000 0.787 567 E HN 0.407 nan 8.360 nan 0.000 0.473 568 I N 0.935 121.510 120.570 0.008 0.000 2.692 568 I HA 0.120 3.705 4.170 -0.976 0.000 0.284 568 I C 0.347 176.493 176.117 0.048 0.000 1.159 568 I CA 0.291 61.591 61.300 -0.001 0.000 1.423 568 I CB 0.524 38.504 38.000 -0.032 0.000 1.380 568 I HN 0.004 nan 8.210 nan 0.000 0.580 569 G N 5.733 114.547 108.800 0.024 0.000 2.749 569 G HA2 0.613 3.988 3.960 -0.976 0.000 0.300 569 G HA3 0.613 3.988 3.960 -0.976 0.000 0.300 569 G C -1.324 173.590 174.900 0.024 0.000 1.352 569 G CA -0.172 44.949 45.100 0.035 0.000 0.789 569 G HN 0.740 nan 8.290 nan 0.000 0.509 570 V N -2.098 117.830 119.914 0.023 0.000 2.914 570 V HA 0.762 4.296 4.120 -0.976 0.000 0.314 570 V C 0.950 177.048 176.094 0.007 0.000 1.084 570 V CA 0.324 62.635 62.300 0.018 0.000 0.963 570 V CB 1.490 33.328 31.823 0.025 0.000 1.025 570 V HN 1.319 nan 8.190 nan 0.000 0.432 571 S N 1.178 116.880 115.700 0.003 0.000 2.501 571 S HA 0.242 4.126 4.470 -0.976 0.000 0.220 571 S C 0.800 175.400 174.600 -0.001 0.000 0.997 571 S CA 0.496 58.694 58.200 -0.004 0.000 0.919 571 S CB -0.456 62.739 63.200 -0.008 0.000 0.778 571 S HN 1.803 nan 8.310 nan 0.000 0.523 572 S N 0.000 115.702 115.700 0.003 0.000 2.498 572 S HA 0.000 3.884 4.470 -0.976 0.000 0.327 572 S CA 0.000 58.202 58.200 0.003 0.000 1.107 572 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517